#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2m s LYS 2 N 0.00 4.50 -0.46 3.17 -0.14 -1.26 -5.01 119.74 120.54 1t2m s LYS 2 Ca 0.00 1.76 0.02 0.00 -1.36 0.00 0.00 55.97 56.39 1t2m s LYS 2 Cb 0.00 -3.31 0.14 0.00 -1.68 0.00 0.00 37.83 32.98 1t2m s LYS 2 CO 0.00 -0.12 0.25 -1.21 -0.76 0.00 0.00 175.35 173.51 1t2m s GLU 3 N 0.38 1.42 0.51 1.68 2.02 -1.26 -5.12 118.70 118.33 1t2m s GLU 3 Ca 0.55 -2.14 -0.09 0.00 0.02 0.00 0.00 54.97 53.31 1t2m s GLU 3 Cb -0.30 -2.50 0.12 0.00 0.10 0.00 0.00 34.13 31.55 1t2m s GLU 3 CO 0.32 -1.16 0.49 -0.35 0.02 0.00 0.00 175.26 174.58 1t2m n PRO 4 N 3.43 -1.69 -3.91 0.39 -0.04 -1.26 -5.06 135.00 126.86 1t2m n PRO 4 Ca 0.09 -0.77 -0.30 0.00 -0.04 0.00 0.00 63.50 62.47 1t2m n PRO 4 Cb 0.34 -0.68 -0.15 0.00 -0.04 0.00 0.00 33.50 32.97 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1t2m s GLU 5 N -4.09 1.36 -0.19 0.54 2.12 -1.15 -4.91 118.70 112.38 1t2m s GLU 5 Ca 0.31 -1.20 -0.15 0.00 0.36 0.00 0.00 54.97 54.29 1t2m s GLU 5 Cb -0.03 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1t2m s GLU 5 CO 0.23 -0.77 0.34 0.42 -0.54 0.00 0.00 175.26 174.94 1t2m s ILE 6 N 1.34 5.25 -0.01 -3.70 1.01 -1.26 -0.53 121.20 123.32 1t2m s ILE 6 Ca 0.02 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1t2m s ILE 6 Cb -0.18 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1t2m s ILE 6 CO -0.11 0.32 0.02 0.27 0.00 0.00 0.00 174.94 175.43 1t2m s ILE 7 N 0.93 -0.00 -0.37 2.92 -4.36 -0.16 -4.98 121.20 115.17 1t2m s ILE 7 Ca 0.17 0.02 -0.22 0.00 -0.26 0.00 0.00 60.65 60.36 1t2m s ILE 7 Cb -0.14 -0.04 0.01 0.00 1.25 0.00 0.00 42.46 43.54 1t2m s ILE 7 CO 0.06 0.01 0.72 -0.89 0.24 0.00 0.00 174.94 175.08 1t2m s THR 8 N 0.09 4.79 0.07 8.37 2.01 -1.26 -1.29 115.64 128.42 1t2m s THR 8 Ca -0.01 0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.70 1t2m s THR 8 Cb -0.01 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1t2m s THR 8 CO -0.00 -0.43 0.07 0.54 -0.69 0.00 0.00 174.62 174.11 1t2m s VAL 9 N 2.95 4.48 -0.24 3.82 0.11 0.14 -4.91 120.40 126.76 1t2m s VAL 9 Ca 0.28 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.61 1t2m s VAL 9 Cb -0.14 -3.14 0.05 0.00 -1.53 0.00 0.00 36.38 31.63 1t2m s VAL 9 CO 0.17 0.16 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.08 1t2m s THR 10 N -1.34 2.07 0.21 5.04 2.01 -1.26 0.44 115.64 122.80 1t2m s THR 10 Ca 0.28 -1.41 0.05 0.00 0.31 0.00 0.00 61.69 60.92 1t2m s THR 10 Cb -0.12 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1t2m s THR 10 CO 0.20 0.11 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.42 1t2m s LEU 11 N 1.18 2.39 0.49 4.42 1.43 -0.83 -4.96 118.68 122.80 1t2m s LEU 11 Ca -0.05 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.00 1t2m s LEU 11 Cb -0.18 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.66 1t2m s LEU 11 CO -0.07 -0.38 0.56 -0.54 0.23 0.00 0.00 176.35 176.14 1t2m s LYS 12 N -3.77 2.48 -0.29 1.70 -0.14 -1.26 0.36 119.74 118.81 1t2m s LYS 12 Ca 0.24 -1.60 -0.07 0.00 -1.36 0.00 0.00 55.97 53.19 1t2m s LYS 12 Cb 0.03 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 1t2m s LYS 12 CO 0.07 -0.50 0.08 0.15 -0.76 0.00 0.00 175.35 174.39 1t2m s LYS 13 N -4.38 3.22 -0.16 1.68 1.02 -0.87 -4.88 119.74 115.38 1t2m s LYS 13 Ca 0.51 -0.77 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 1t2m s LYS 13 Cb -0.05 -3.38 -0.23 0.00 -0.52 0.00 0.00 37.83 33.64 1t2m s LYS 13 CO 0.31 -0.39 0.22 1.04 -0.92 0.00 0.00 175.35 175.61 1t2m n GLN 14 N 4.89 0.72 -2.63 1.68 3.00 -1.26 -4.80 117.38 118.98 1t2m n GLN 14 Ca -0.15 0.27 -0.05 0.00 -0.01 0.00 0.00 57.00 57.06 1t2m n GLN 14 Cb 0.49 -1.67 0.10 0.00 0.00 0.00 0.00 30.24 29.15 1t2m n GLN 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1t2m n ASN 15 N -3.56 -1.60 0.00 1.08 4.05 -1.26 -5.14 115.26 108.83 1t2m n ASN 15 Ca -0.35 -2.21 0.00 0.00 0.45 0.00 0.00 54.58 52.46 1t2m n ASN 15 Cb 1.00 0.89 0.00 0.00 1.23 0.00 0.00 39.78 42.89 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1t2m n GLY 16 N -0.79 0.32 2.53 8.20 0.00 -1.26 -4.83 105.19 109.36 1t2m n GLY 16 Ca -0.10 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1t2m n GLY 16 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t2m s MET 17 N 0.00 0.42 -1.32 1.61 -1.94 -1.26 -4.87 119.30 111.94 1t2m s MET 17 Ca 0.00 -0.96 -0.17 0.00 -1.71 0.00 0.00 55.69 52.86 1t2m s MET 17 Cb 0.00 -1.32 0.02 0.00 2.01 0.00 0.00 34.83 35.54 1t2m s MET 17 CO 0.00 -1.10 2.01 0.41 -0.01 0.00 0.00 175.02 176.33 1t2m n GLY 18 N 4.65 3.39 3.59 -0.03 0.00 -1.26 -4.84 105.19 110.69 1t2m n GLY 18 Ca 0.02 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 1t2m n GLY 18 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t2m s LEU 19 N 3.36 -0.70 0.24 0.99 0.05 -1.26 0.78 118.68 122.14 1t2m s LEU 19 Ca 0.52 1.15 -0.15 0.00 0.05 0.00 0.00 54.13 55.69 1t2m s LEU 19 Cb 0.10 2.45 -0.08 0.00 -2.05 0.00 0.00 46.19 46.61 1t2m s LEU 19 CO 0.00 -0.37 0.66 -0.44 -0.55 0.00 0.00 176.35 175.65 1t2m s SER 20 N -0.20 6.84 0.13 1.48 0.01 0.11 -4.94 113.70 117.13 1t2m s SER 20 Ca -0.04 1.21 -0.00 0.00 1.31 0.00 0.00 55.95 58.43 1t2m s SER 20 Cb -0.03 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1t2m s SER 20 CO 0.04 -0.04 0.03 0.27 0.41 0.00 0.00 173.24 173.94 1t2m s ILE 21 N -1.70 0.26 -0.10 1.44 -5.25 -1.26 -0.78 121.20 113.80 1t2m s ILE 21 Ca 0.46 -1.91 -0.16 0.00 -0.99 0.00 0.00 60.65 58.05 1t2m s ILE 21 Cb -0.13 -1.98 0.04 0.00 2.95 0.00 0.00 42.46 43.33 1t2m s ILE 21 CO 0.19 -0.55 0.40 0.54 -1.79 0.00 0.00 174.94 173.74 1t2m s VAL 22 N -3.94 0.02 -0.62 8.37 0.11 0.84 -4.75 120.40 120.43 1t2m s VAL 22 Ca 0.22 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1t2m s VAL 22 Cb 0.07 -0.62 0.16 0.00 -1.53 0.00 0.00 36.38 34.46 1t2m s VAL 22 CO 0.01 -0.09 0.46 0.00 -3.33 0.00 0.00 175.10 172.14 1t2m s ALA 23 N -0.41 3.60 0.38 1.54 0.00 -1.26 0.03 121.76 125.63 1t2m s ALA 23 Ca -0.05 -3.15 0.06 0.00 0.00 0.00 0.00 51.96 48.82 1t2m s ALA 23 Cb -0.03 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 1t2m s ALA 23 CO 0.03 -2.09 0.23 0.00 0.00 0.00 0.00 175.76 173.93 1t2m s ALA 24 N 0.17 2.38 0.59 0.00 0.00 -1.14 -4.74 121.76 119.03 1t2m s ALA 24 Ca 0.15 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.50 1t2m s ALA 24 Cb -0.20 1.19 0.08 0.00 0.00 0.00 0.00 23.12 24.20 1t2m s ALA 24 CO -0.04 -0.54 0.69 0.36 0.00 0.00 0.00 175.76 176.23 1t2m n LYS 25 N -0.78 0.61 0.00 0.00 0.00 -1.25 -1.34 118.16 115.40 1t2m n LYS 25 Ca 0.02 -3.34 0.00 0.00 -0.00 0.00 0.00 58.31 55.00 1t2m n LYS 25 Cb 0.63 -0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 1t2m n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t2m n GLY 26 N -2.13 3.80 3.72 2.58 0.00 -1.24 -4.97 105.19 106.95 1t2m n GLY 26 Ca 0.10 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1t2m n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m s ALA 27 N -1.08 3.39 -1.70 4.61 0.00 -1.26 -4.36 121.76 121.36 1t2m s ALA 27 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1t2m s ALA 27 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1t2m s ALA 27 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.89 1t2m n GLY 28 N 0.56 1.52 2.87 0.00 0.00 -1.26 -4.90 105.19 103.99 1t2m n GLY 28 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1t2m n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t2m s GLN 29 N -3.33 0.35 -0.21 1.61 -0.44 -1.26 -5.02 119.66 111.36 1t2m s GLN 29 Ca 0.00 0.29 0.04 0.00 -2.50 0.00 0.00 55.36 53.19 1t2m s GLN 29 Cb 0.00 -0.52 0.40 0.00 -1.64 0.00 0.00 33.01 31.25 1t2m s GLN 29 CO 0.00 -0.81 1.41 -3.47 0.50 0.00 0.00 175.29 172.92 1t2m n ASP 30 N 5.35 3.49 0.00 6.67 2.03 -1.26 -3.60 116.55 129.23 1t2m n ASP 30 Ca -0.02 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.51 1t2m n ASP 30 Cb 0.49 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 1t2m n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1t2m n LYS 31 N -0.17 3.58 -3.79 -0.67 4.76 -1.26 -5.07 118.16 115.55 1t2m n LYS 31 Ca 0.28 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.42 1t2m n LYS 31 Cb 1.03 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 34.07 1t2m n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1t2m s LEU 32 N 0.00 2.68 0.42 -0.35 1.02 -1.26 -3.91 118.68 117.27 1t2m s LEU 32 Ca 0.00 -1.72 -0.10 0.00 0.02 0.00 0.00 54.13 52.33 1t2m s LEU 32 Cb 0.00 -1.00 -0.06 0.00 0.02 0.00 0.00 46.19 45.15 1t2m s LEU 32 CO 0.00 -0.41 0.78 -0.83 0.02 0.00 0.00 176.35 175.91 1t2m s GLY 33 N 1.49 1.90 -0.84 -3.19 0.00 -0.45 -2.35 107.32 103.88 1t2m s GLY 33 Ca 0.10 -0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.38 1t2m s GLY 33 CO -0.22 -0.04 1.09 -0.42 0.00 0.00 0.00 173.10 173.52 1t2m s ILE 34 N -2.42 4.53 0.28 0.90 -1.09 -1.06 -2.87 121.20 119.47 1t2m s ILE 34 Ca 0.51 -1.10 -0.21 0.00 -2.23 0.00 0.00 60.65 57.62 1t2m s ILE 34 Cb -0.10 -4.77 -0.09 0.00 -1.58 0.00 0.00 42.46 35.92 1t2m s ILE 34 CO 0.33 -1.52 0.81 -0.31 -1.23 0.00 0.00 174.94 173.01 1t2m s TYR 35 N 3.33 3.58 -0.48 3.97 2.02 0.10 0.02 117.35 129.89 1t2m s TYR 35 Ca 0.30 1.49 -0.22 0.00 -0.37 0.00 0.00 57.07 58.27 1t2m s TYR 35 Cb -0.09 -2.71 0.04 0.00 -0.40 0.00 0.00 41.96 38.80 1t2m s TYR 35 CO -0.03 0.22 0.73 0.08 -1.57 0.00 0.00 175.55 174.99 1t2m s VAL 36 N -1.68 4.71 0.11 0.71 1.01 0.12 -0.11 120.40 125.26 1t2m s VAL 36 Ca 0.48 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 1t2m s VAL 36 Cb -0.15 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1t2m s VAL 36 CO 0.20 -0.79 1.49 0.11 0.00 0.00 0.00 175.10 176.12 1t2m h LYS 37 N 9.03 0.71 -2.27 2.72 1.57 -1.25 0.65 116.57 127.73 1t2m h LYS 37 Ca -0.26 -0.30 0.19 0.00 -1.87 0.00 0.00 60.65 58.41 1t2m h LYS 37 Cb 1.09 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1t2m h LYS 37 CO 0.97 0.90 0.55 0.45 -0.57 0.00 0.00 179.45 181.74 1t2m s SER 38 N -6.39 -0.12 -0.11 0.86 0.15 -1.20 -3.87 113.70 103.01 1t2m s SER 38 Ca -0.13 -0.43 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 1t2m s SER 38 Cb 0.09 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1t2m s SER 38 CO 0.81 -0.85 -0.09 -0.69 1.20 0.00 0.00 173.24 173.63 1t2m s VAL 39 N -2.96 1.09 0.12 4.45 1.01 -1.26 0.08 120.40 122.93 1t2m s VAL 39 Ca 0.14 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 1t2m s VAL 39 Cb -0.01 -1.08 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 1t2m s VAL 39 CO 0.02 0.38 1.37 -0.69 0.00 0.00 0.00 175.10 176.18 1t2m s VAL 40 N 1.59 3.32 0.15 2.92 1.01 0.23 -4.94 120.40 124.69 1t2m s VAL 40 Ca 0.03 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 1t2m s VAL 40 Cb -0.13 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1t2m s VAL 40 CO -0.07 0.08 1.81 -0.54 0.00 0.00 0.00 175.10 176.38 1t2m s LYS 41 N 0.97 4.13 0.00 2.72 3.01 -1.26 -2.20 119.74 127.11 1t2m s LYS 41 Ca 0.63 2.62 0.00 0.00 -1.01 0.00 0.00 55.97 58.21 1t2m s LYS 41 Cb -0.36 -3.45 0.00 0.00 -1.01 0.00 0.00 37.83 33.01 1t2m s LYS 41 CO 0.31 -0.83 0.00 0.41 0.51 0.00 0.00 175.35 175.76 1t2m n GLY 42 N 4.18 2.66 3.74 -3.33 0.00 -1.26 -5.08 105.19 106.10 1t2m n GLY 42 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1t2m n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t2m s GLY 43 N -2.38 1.99 0.29 -0.02 0.00 -0.93 -4.70 107.32 101.58 1t2m s GLY 43 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 44.72 45.33 1t2m s GLY 43 CO 0.00 0.96 1.82 0.00 0.00 0.00 0.00 173.10 175.87 1t2m h ALA 44 N -0.73 1.58 -0.14 3.20 0.00 -1.90 0.11 119.26 121.36 1t2m h ALA 44 Ca -0.45 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1t2m h ALA 44 Cb 1.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1t2m h ALA 44 CO 0.50 0.13 -0.66 0.00 0.00 0.00 0.00 179.25 179.21 1t2m h ALA 45 N 1.58 0.57 -0.03 0.00 0.00 -1.92 -2.43 119.26 117.03 1t2m h ALA 45 Ca 0.52 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1t2m h ALA 45 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1t2m h ALA 45 CO -0.30 0.72 -0.04 0.22 0.00 0.00 0.00 179.25 179.85 1t2m h ASP 46 N 0.40 0.08 -0.83 0.00 1.82 -1.54 -2.31 116.42 114.05 1t2m h ASP 46 Ca -0.02 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.09 1t2m h ASP 46 Cb 1.24 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 41.19 1t2m h ASP 46 CO 0.12 0.58 0.46 0.58 -1.61 0.00 0.00 179.24 179.38 1t2m h VAL 47 N -0.42 1.24 0.07 2.25 2.07 -0.92 -3.02 116.25 117.52 1t2m h VAL 47 Ca 0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1t2m h VAL 47 Cb 0.56 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1t2m h VAL 47 CO 0.01 0.27 -0.04 0.44 0.02 0.00 0.00 177.57 178.27 1t2m h ASP 48 N 1.15 -0.08 -0.74 0.57 5.19 -1.47 -3.48 116.42 117.55 1t2m h ASP 48 Ca 0.29 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1t2m h ASP 48 Cb 0.02 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1t2m h ASP 48 CO -0.05 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 1t2m n GLY 49 N -0.73 0.65 0.33 2.75 0.00 -0.87 -5.06 105.19 102.26 1t2m n GLY 49 Ca -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 1t2m n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2m n ARG 50 N -0.37 0.08 -2.78 1.61 5.12 -1.24 -5.04 116.66 114.04 1t2m n ARG 50 Ca 0.00 0.03 -0.28 0.00 -1.93 0.00 0.00 57.85 55.67 1t2m n ARG 50 Cb 0.22 -0.52 -0.01 0.00 -1.16 0.00 0.00 32.46 30.99 1t2m n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1t2m s LEU 51 N -5.57 3.73 0.38 0.55 0.05 -1.26 -5.11 118.68 111.45 1t2m s LEU 51 Ca -0.04 0.93 0.04 0.00 0.05 0.00 0.00 54.13 55.11 1t2m s LEU 51 Cb 0.01 -3.86 -0.03 0.00 -2.05 0.00 0.00 46.19 40.26 1t2m s LEU 51 CO 0.06 -0.49 0.12 0.00 -0.55 0.00 0.00 176.35 175.49 1t2m s ALA 52 N -2.59 2.70 0.45 1.48 0.00 -1.26 -4.86 121.76 117.69 1t2m s ALA 52 Ca 0.48 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 1t2m s ALA 52 Cb -0.10 0.78 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 1t2m s ALA 52 CO 0.40 -0.35 1.08 0.00 0.00 0.00 0.00 175.76 176.89 1t2m s ALA 53 N -3.28 2.96 -0.64 0.00 0.00 -1.26 -3.91 121.76 115.63 1t2m s ALA 53 Ca 0.27 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1t2m s ALA 53 Cb 0.04 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1t2m s ALA 53 CO 0.15 -0.40 0.54 0.41 0.00 0.00 0.00 175.76 176.47 1t2m n GLY 54 N 0.17 0.12 3.82 0.00 0.00 0.23 -4.98 105.19 104.54 1t2m n GLY 54 Ca 0.07 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1t2m n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t2m s ASP 55 N -3.44 4.28 0.09 1.61 1.11 -1.07 -3.70 116.67 115.55 1t2m s ASP 55 Ca 0.14 -1.59 0.09 0.00 0.18 0.00 0.00 52.55 51.36 1t2m s ASP 55 Cb -0.06 0.63 -0.03 0.00 1.07 0.00 0.00 42.92 44.53 1t2m s ASP 55 CO 0.37 -0.98 -0.23 -1.58 1.18 0.00 0.00 175.17 173.93 1t2m s GLN 56 N -4.01 1.32 -0.10 8.23 0.74 -1.03 0.12 119.66 124.93 1t2m s GLN 56 Ca 0.09 -1.13 0.03 0.00 0.05 0.00 0.00 55.36 54.40 1t2m s GLN 56 Cb -0.00 -1.58 0.01 0.00 1.10 0.00 0.00 33.01 32.54 1t2m s GLN 56 CO 0.06 0.38 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.83 1t2m s LEU 57 N -1.66 1.87 -0.04 3.68 1.98 0.10 0.77 118.68 125.38 1t2m s LEU 57 Ca 0.09 -0.46 -0.07 0.00 -2.89 0.00 0.00 54.13 50.79 1t2m s LEU 57 Cb -0.10 -1.17 -0.02 0.00 0.66 0.00 0.00 46.19 45.56 1t2m s LEU 57 CO 0.04 0.07 -0.14 0.18 -1.89 0.00 0.00 176.35 174.61 1t2m n LEU 58 N 3.89 1.14 -4.82 -0.68 7.99 -0.89 -2.57 117.00 121.07 1t2m n LEU 58 Ca -0.20 0.18 -0.35 0.00 -0.01 0.00 0.00 56.01 55.63 1t2m n LEU 58 Cb 0.52 -0.48 -0.07 0.00 -0.11 0.00 0.00 43.42 43.28 1t2m n LEU 58 CO 0.26 -0.49 -0.22 -0.44 -1.51 0.00 0.00 177.39 174.98 1t2m s SER 59 N -5.54 5.93 -0.18 -1.43 0.01 -1.26 -0.20 113.70 111.03 1t2m s SER 59 Ca -0.12 0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 1t2m s SER 59 Cb 0.02 -1.80 0.06 0.00 0.21 0.00 0.00 66.02 64.51 1t2m s SER 59 CO 0.17 0.33 0.06 -0.69 0.41 0.00 0.00 173.24 173.52 1t2m s VAL 60 N -1.12 0.20 -1.40 3.43 1.01 0.06 -1.22 120.40 121.37 1t2m s VAL 60 Ca 0.20 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 1t2m s VAL 60 Cb -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1t2m s VAL 60 CO 0.10 -0.24 1.13 -0.67 0.00 0.00 0.00 175.10 175.42 1t2m n ASP 61 N 5.17 -5.85 0.00 3.32 -0.08 0.27 -1.67 116.55 117.71 1t2m n ASP 61 Ca -0.08 -0.60 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 1t2m n ASP 61 Cb 0.48 -4.75 0.00 0.00 2.34 0.00 0.00 41.12 39.19 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t2m n GLY 62 N -1.91 2.97 3.93 0.27 0.00 -1.26 -4.96 105.19 104.22 1t2m n GLY 62 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1t2m n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t2m s ARG 63 N -0.21 1.12 -0.09 1.61 0.52 -0.67 -5.05 118.95 116.18 1t2m s ARG 63 Ca 0.00 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1t2m s ARG 63 Cb 0.00 -1.91 0.02 0.00 0.52 0.00 0.00 34.95 33.58 1t2m s ARG 63 CO 0.00 -2.09 -0.06 0.45 0.02 0.00 0.00 175.30 173.62 1t2m s SER 64 N -4.78 1.92 -0.77 0.23 0.15 -1.26 -0.76 113.70 108.44 1t2m s SER 64 Ca 0.70 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 57.08 1t2m s SER 64 Cb -0.06 -0.72 0.25 0.00 -1.71 0.00 0.00 66.02 63.78 1t2m s SER 64 CO 0.51 -0.12 2.25 0.18 1.20 0.00 0.00 173.24 177.26 1t2m n LEU 65 N 4.83 7.23 -4.37 3.45 4.77 0.72 -4.89 117.00 128.73 1t2m n LEU 65 Ca -0.13 -4.66 -0.46 0.00 -0.03 0.00 0.00 56.01 50.74 1t2m n LEU 65 Cb 0.50 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1t2m n LEU 65 CO 0.16 1.79 0.61 -0.69 -1.33 0.00 0.00 177.39 177.93 1t2m s VAL 66 N -4.03 5.24 0.00 4.08 1.01 -1.26 -4.10 120.40 121.34 1t2m s VAL 66 Ca 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1t2m s VAL 66 Cb 0.39 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1t2m s VAL 66 CO -0.33 -1.20 0.00 0.61 0.00 0.00 0.00 175.10 174.18 1t2m n GLY 67 N 4.62 1.84 3.49 4.51 0.00 -0.99 -4.75 105.19 113.91 1t2m n GLY 67 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1t2m n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 68 N 0.00 2.67 0.74 0.99 1.43 -1.22 -4.82 118.68 118.47 1t2m s LEU 68 Ca 0.00 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 1t2m s LEU 68 Cb 0.00 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.99 1t2m s LEU 68 CO 0.00 0.07 1.12 -0.94 0.23 0.00 0.00 176.35 176.83 1t2m s SER 69 N -3.19 5.09 0.31 2.29 1.04 -1.26 -4.80 113.70 113.17 1t2m s SER 69 Ca 0.27 1.03 0.01 0.00 0.48 0.00 0.00 55.95 57.73 1t2m s SER 69 Cb -0.07 -1.73 0.54 0.00 0.10 0.00 0.00 66.02 64.87 1t2m s SER 69 CO 0.14 -1.56 1.95 -0.61 0.98 0.00 0.00 173.24 174.14 1t2m h GLN 70 N -0.81 0.98 -0.07 4.02 4.15 -1.93 -2.01 115.11 119.44 1t2m h GLN 70 Ca -0.45 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 1t2m h GLN 70 Cb 1.28 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1t2m h GLN 70 CO 0.64 0.65 0.02 1.49 -1.93 0.00 0.00 178.83 179.70 1t2m h GLU 71 N 1.01 0.12 -0.39 1.69 4.81 -1.98 0.39 114.58 120.23 1t2m h GLU 71 Ca 0.34 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1t2m h GLU 71 Cb 0.08 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1t2m h GLU 71 CO -0.11 0.31 0.12 0.00 -0.73 0.00 0.00 179.01 178.61 1t2m h ARG 72 N -0.10 0.26 0.22 1.92 2.47 -1.83 0.49 114.38 117.81 1t2m h ARG 72 Ca 0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1t2m h ARG 72 Cb 0.25 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1t2m h ARG 72 CO 0.00 0.17 -0.11 0.00 0.56 0.00 0.00 179.97 180.60 1t2m h ALA 73 N 1.26 -0.29 -0.76 0.04 0.00 -1.34 -0.77 119.26 117.40 1t2m h ALA 73 Ca 0.18 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1t2m h ALA 73 Cb 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1t2m h ALA 73 CO -0.20 -0.49 0.46 0.00 0.00 0.00 0.00 179.25 179.02 1t2m h ALA 74 N 0.03 1.03 -0.36 0.00 0.00 -0.79 0.89 119.26 120.06 1t2m h ALA 74 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1t2m h ALA 74 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1t2m h ALA 74 CO 0.05 0.20 -0.14 1.49 0.00 0.00 0.00 179.25 180.85 1t2m h GLU 75 N 0.86 0.64 -0.22 0.00 4.57 -0.02 -2.52 114.58 117.90 1t2m h GLU 75 Ca 0.33 -0.21 -0.19 0.00 -1.18 0.00 0.00 59.36 58.11 1t2m h GLU 75 Cb 0.13 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1t2m h GLU 75 CO -0.16 0.76 -0.62 -0.07 -1.18 0.00 0.00 179.01 177.75 1t2m h LEU 76 N 0.58 0.84 -1.11 1.64 3.38 -0.27 -2.40 115.31 117.97 1t2m h LEU 76 Ca 0.10 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1t2m h LEU 76 Cb 0.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1t2m h LEU 76 CO 0.04 1.26 0.27 0.24 0.09 0.00 0.00 178.44 180.33 1t2m h MET 77 N 0.55 0.90 -0.02 1.13 2.86 -0.68 -2.49 114.93 117.18 1t2m h MET 77 Ca -0.01 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.32 1t2m h MET 77 Cb 1.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1t2m h MET 77 CO 0.13 0.72 -0.79 0.00 1.06 0.00 0.00 176.91 178.03 1t2m h THR 78 N 0.89 1.47 -0.88 2.22 1.03 -1.42 -3.29 112.91 112.93 1t2m h THR 78 Ca 0.21 -2.44 -0.47 0.00 -0.01 0.00 0.00 66.41 63.70 1t2m h THR 78 Cb 0.14 2.33 -0.15 0.00 -1.07 0.00 0.00 68.15 69.40 1t2m h THR 78 CO -0.02 0.71 0.48 0.54 -0.01 0.00 0.00 175.52 177.22 1t2m n ARG 79 N -3.71 2.54 -4.63 0.00 1.74 -0.91 -4.92 116.66 106.76 1t2m n ARG 79 Ca -0.03 -2.22 -0.29 0.00 -0.77 0.00 0.00 57.85 54.55 1t2m n ARG 79 Cb 0.75 -2.17 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1t2m s THR 80 N -1.56 1.91 0.00 0.55 -4.23 -1.24 -4.95 115.64 106.12 1t2m s THR 80 Ca 0.60 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1t2m s THR 80 Cb 0.35 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1t2m s THR 80 CO -0.17 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.71 1t2m n SER 81 N -1.00 0.00 -0.12 3.99 7.64 -1.26 -4.96 113.62 117.90 1t2m n SER 81 Ca -0.07 -0.96 -0.05 0.00 1.01 0.00 0.00 58.87 58.81 1t2m n SER 81 Cb 0.67 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.90 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t2m h SER 82 N 0.00 -0.00 -2.98 6.43 0.02 -1.97 -3.41 113.55 111.64 1t2m h SER 82 Ca 0.00 0.07 -0.62 0.00 -0.84 0.00 0.00 61.79 60.40 1t2m h SER 82 Cb 0.00 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 1t2m h SER 82 CO 0.00 0.04 -0.26 -0.69 -1.14 0.00 0.00 176.83 174.78 1t2m s VAL 83 N -6.16 5.14 -0.15 2.27 1.01 -1.26 -2.05 120.40 119.21 1t2m s VAL 83 Ca -0.13 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1t2m s VAL 83 Cb 0.14 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1t2m s VAL 83 CO 0.71 0.56 0.01 -0.69 0.00 0.00 0.00 175.10 175.69 1t2m s VAL 84 N -0.87 0.58 -0.08 2.92 1.01 0.16 -4.99 120.40 119.13 1t2m s VAL 84 Ca 0.22 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1t2m s VAL 84 Cb -0.15 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1t2m s VAL 84 CO 0.11 0.01 0.50 -0.89 0.00 0.00 0.00 175.10 174.83 1t2m s THR 85 N 1.86 5.10 -0.02 3.92 2.01 -1.26 -1.97 115.64 125.29 1t2m s THR 85 Ca 0.01 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1t2m s THR 85 Cb -0.15 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.55 1t2m s THR 85 CO -0.07 0.38 0.01 -0.76 -0.69 0.00 0.00 174.62 173.48 1t2m s LEU 86 N 0.23 1.37 -0.51 4.42 1.02 0.17 0.97 118.68 126.35 1t2m s LEU 86 Ca 0.27 -0.00 -0.15 0.00 0.02 0.00 0.00 54.13 54.27 1t2m s LEU 86 Cb -0.16 -0.12 0.11 0.00 0.02 0.00 0.00 46.19 46.04 1t2m s LEU 86 CO 0.12 -0.08 0.45 -0.70 0.02 0.00 0.00 176.35 176.16 1t2m s GLU 87 N 0.75 2.93 0.21 1.70 2.12 -0.36 0.29 118.70 126.33 1t2m s GLU 87 Ca -0.07 -1.60 -0.09 0.00 0.36 0.00 0.00 54.97 53.58 1t2m s GLU 87 Cb -0.10 -4.20 -0.07 0.00 0.26 0.00 0.00 34.13 30.03 1t2m s GLU 87 CO -0.02 -1.21 0.51 0.08 -0.54 0.00 0.00 175.26 174.08 1t2m s VAL 88 N 1.58 4.98 -0.21 3.70 1.01 -0.41 -2.10 120.40 128.95 1t2m s VAL 88 Ca 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 1t2m s VAL 88 Cb -0.28 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1t2m s VAL 88 CO 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 175.10 175.00 1t2m s ALA 89 N -1.77 2.63 -0.57 5.51 0.00 0.23 -0.99 121.76 126.80 1t2m s ALA 89 Ca 0.46 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 1t2m s ALA 89 Cb -0.11 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 1t2m s ALA 89 CO 0.22 -0.45 1.73 0.15 0.00 0.00 0.00 175.76 177.41 1t2m s LYS 90 N 1.39 2.89 0.00 0.00 3.01 0.32 -2.48 119.74 124.87 1t2m s LYS 90 Ca 0.05 0.64 0.00 0.00 -1.01 0.00 0.00 55.97 55.65 1t2m s LYS 90 Cb -0.14 -4.30 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 1t2m s LYS 90 CO -0.07 -2.43 0.00 0.00 0.51 0.00 0.00 175.35 173.37 1t2m n GLN 91 N 9.00 0.00 0.00 1.68 10.64 -1.26 -2.94 117.38 134.49 1t2m n GLN 91 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1t2m n GLN 91 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1t2m n GLY 92 N 0.00 3.70 0.00 2.61 0.00 -1.24 -4.55 105.19 105.71 1t2m n GLY 92 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32