#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 4.14 -0.11 0.03 1.02 -1.26 -4.25 119.74 119.31 1t2m s LYS 2 Ca 0.00 2.58 -0.08 0.00 0.02 0.00 0.00 55.97 58.49 1t2m s LYS 2 Cb 0.00 -3.60 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1t2m s LYS 2 CO 0.00 -0.84 0.16 0.39 -0.92 0.00 0.00 175.35 174.14 1t2m n GLU 3 N 5.71 -3.70 -0.61 1.68 -0.58 -1.26 -4.99 120.64 116.89 1t2m n GLU 3 Ca 0.18 2.87 -0.31 0.00 -0.42 0.00 0.00 57.16 59.48 1t2m n GLU 3 Cb 0.38 -4.09 0.20 0.00 -0.57 0.00 0.00 31.44 27.37 1t2m n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1t2m n PRO 4 N 1.35 -1.69 -2.79 3.49 -0.02 -1.26 -4.89 135.00 129.19 1t2m n PRO 4 Ca -0.26 -0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 60.32 1t2m n PRO 4 Cb 0.41 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1t2m s GLU 5 N -3.91 3.65 -0.02 -0.52 2.12 -1.26 -5.00 118.70 113.76 1t2m s GLU 5 Ca 0.62 -1.61 -0.15 0.00 0.36 0.00 0.00 54.97 54.19 1t2m s GLU 5 Cb -0.19 -5.10 -0.05 0.00 0.26 0.00 0.00 34.13 29.04 1t2m s GLU 5 CO 0.65 -1.94 0.40 0.42 -0.54 0.00 0.00 175.26 174.25 1t2m s ILE 6 N 3.45 5.07 -0.06 -3.70 1.01 -1.26 -0.63 121.20 125.08 1t2m s ILE 6 Ca 0.39 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.78 1t2m s ILE 6 Cb -0.03 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1t2m s ILE 6 CO -0.08 0.55 0.19 0.27 0.00 0.00 0.00 174.94 175.87 1t2m s ILE 7 N -0.87 0.02 -0.34 2.92 -5.25 0.13 -4.97 121.20 112.83 1t2m s ILE 7 Ca 0.23 -0.13 -0.12 0.00 -0.99 0.00 0.00 60.65 59.64 1t2m s ILE 7 Cb -0.16 -0.31 -0.01 0.00 2.95 0.00 0.00 42.46 44.93 1t2m s ILE 7 CO 0.12 -0.07 0.21 -0.89 -1.79 0.00 0.00 174.94 172.52 1t2m s THR 8 N -0.20 4.98 0.22 8.37 2.01 -1.26 -0.90 115.64 128.86 1t2m s THR 8 Ca -0.03 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1t2m s THR 8 Cb -0.03 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1t2m s THR 8 CO 0.01 -0.04 -0.09 0.68 -0.69 0.00 0.00 174.62 174.49 1t2m s VAL 9 N 1.66 1.49 -0.03 3.82 -7.23 -1.06 -4.94 120.40 114.12 1t2m s VAL 9 Ca 0.05 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.01 1t2m s VAL 9 Cb -0.18 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1t2m s VAL 9 CO 0.09 -0.49 0.26 0.42 -0.31 0.00 0.00 175.10 175.07 1t2m s THR 10 N -3.12 5.31 -0.13 5.32 -4.23 -1.26 0.83 115.64 118.35 1t2m s THR 10 Ca 0.25 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1t2m s THR 10 Cb 0.02 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 1t2m s THR 10 CO 0.08 0.48 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.29 1t2m s LEU 11 N -1.42 2.71 -0.46 4.79 1.98 0.17 -4.90 118.68 121.55 1t2m s LEU 11 Ca 0.23 -0.34 -0.19 0.00 -2.89 0.00 0.00 54.13 50.95 1t2m s LEU 11 Cb -0.14 -1.61 0.04 0.00 0.66 0.00 0.00 46.19 45.14 1t2m s LEU 11 CO 0.12 0.15 0.56 -0.54 -1.89 0.00 0.00 176.35 174.76 1t2m s LYS 12 N 0.42 3.14 0.04 1.98 -0.14 -1.26 -2.20 119.74 121.73 1t2m s LYS 12 Ca -0.10 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 1t2m s LYS 12 Cb -0.16 -4.03 -0.07 0.00 -1.68 0.00 0.00 37.83 31.89 1t2m s LYS 12 CO 0.05 -1.05 1.58 0.21 -0.76 0.00 0.00 175.35 175.37 1t2m s LYS 13 N 2.49 4.22 -0.23 1.68 2.20 -0.56 -4.78 119.74 124.77 1t2m s LYS 13 Ca 0.15 2.21 -0.16 0.00 -0.36 0.00 0.00 55.97 57.82 1t2m s LYS 13 Cb -0.18 -3.61 -0.11 0.00 -1.51 0.00 0.00 37.83 32.43 1t2m s LYS 13 CO 0.14 -0.69 -0.25 0.94 -0.36 0.00 0.00 175.35 175.13 1t2m n GLN 14 N 5.61 0.56 -2.13 4.03 7.27 -1.26 -4.82 117.38 126.63 1t2m n GLN 14 Ca 0.15 0.32 -0.02 0.00 0.07 0.00 0.00 57.00 57.52 1t2m n GLN 14 Cb 0.42 -1.53 0.05 0.00 2.41 0.00 0.00 30.24 31.58 1t2m n GLN 14 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1t2m n ASN 15 N -4.37 -0.56 0.00 1.69 6.94 -1.26 -5.13 115.26 112.57 1t2m n ASN 15 Ca -0.36 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 1t2m n ASN 15 Cb 0.70 0.28 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t2m n GLY 16 N -0.76 0.44 2.63 4.83 0.00 -1.26 -5.01 105.19 106.05 1t2m n GLY 16 Ca -0.14 -1.89 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.73 0.16 -0.56 1.61 -1.94 -1.26 -4.85 119.30 111.73 1t2m s MET 17 Ca 0.00 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1t2m s MET 17 Cb 0.00 -1.34 0.51 0.00 2.01 0.00 0.00 34.83 36.01 1t2m s MET 17 CO 0.00 -0.83 1.98 0.41 -0.01 0.00 0.00 175.02 176.57 1t2m n GLY 18 N 5.28 5.22 3.20 -0.03 0.00 -1.26 -4.87 105.19 112.73 1t2m n GLY 18 Ca -0.06 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1t2m n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 19 N -3.47 4.51 -0.03 0.99 1.02 -1.26 0.70 118.68 121.14 1t2m s LEU 19 Ca 0.59 -1.44 -0.30 0.00 0.02 0.00 0.00 54.13 53.00 1t2m s LEU 19 Cb 0.48 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.84 1t2m s LEU 19 CO 0.03 -0.38 1.00 -0.94 0.02 0.00 0.00 176.35 176.08 1t2m s SER 20 N 1.55 7.31 0.45 2.29 1.04 -0.00 -5.01 113.70 121.32 1t2m s SER 20 Ca 0.00 1.64 0.06 0.00 0.48 0.00 0.00 55.95 58.13 1t2m s SER 20 Cb -0.21 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 1t2m s SER 20 CO -0.00 -0.33 0.12 0.27 0.98 0.00 0.00 173.24 174.28 1t2m s ILE 21 N 1.36 1.92 -0.10 -1.02 -4.36 -1.26 -1.27 121.20 116.47 1t2m s ILE 21 Ca 0.51 -1.82 -0.14 0.00 -0.26 0.00 0.00 60.65 58.94 1t2m s ILE 21 Cb -0.21 -2.74 0.03 0.00 1.25 0.00 0.00 42.46 40.80 1t2m s ILE 21 CO 0.25 0.00 0.38 0.54 0.24 0.00 0.00 174.94 176.34 1t2m s VAL 22 N -2.70 0.02 -0.36 8.37 0.11 0.12 -4.73 120.40 121.23 1t2m s VAL 22 Ca 0.32 -0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.11 1t2m s VAL 22 Cb 0.04 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1t2m s VAL 22 CO 0.17 -0.07 0.23 0.00 -3.33 0.00 0.00 175.10 172.09 1t2m s ALA 23 N -0.28 3.39 0.28 1.54 0.00 -1.26 0.14 121.76 125.57 1t2m s ALA 23 Ca -0.04 -1.55 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 1t2m s ALA 23 Cb -0.03 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1t2m s ALA 23 CO 0.02 -1.18 0.57 0.00 0.00 0.00 0.00 175.76 175.17 1t2m s ALA 24 N 1.64 -0.39 0.29 0.00 0.00 -1.08 -4.82 121.76 117.40 1t2m s ALA 24 Ca 0.04 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1t2m s ALA 24 Cb -0.18 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1t2m s ALA 24 CO 0.08 -0.90 -0.00 0.21 0.00 0.00 0.00 175.76 175.15 1t2m s LYS 25 N -3.65 2.22 0.00 0.00 2.20 -1.26 -2.56 119.74 116.69 1t2m s LYS 25 Ca 0.20 -1.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1t2m s LYS 25 Cb -0.02 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 1t2m s LYS 25 CO 0.10 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.81 1t2m n GLY 26 N -0.91 5.23 3.83 5.54 0.00 -1.26 -5.06 105.19 112.56 1t2m n GLY 26 Ca -0.06 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.76 3.62 -1.55 4.61 0.00 -1.26 -4.37 121.76 121.06 1t2m s ALA 27 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1t2m s ALA 27 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1t2m s ALA 27 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1t2m n GLY 28 N -1.04 0.41 2.88 0.00 0.00 -1.26 -4.92 105.19 101.27 1t2m n GLY 28 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.30 1.25 -0.04 1.61 2.00 -1.26 -4.97 119.66 113.94 1t2m s GLN 29 Ca 0.00 -1.22 0.08 0.00 -2.00 0.00 0.00 55.36 52.22 1t2m s GLN 29 Cb 0.00 -2.53 0.29 0.00 0.80 0.00 0.00 33.01 31.57 1t2m s GLN 29 CO 0.00 -0.81 1.14 -3.47 -0.50 0.00 0.00 175.29 171.64 1t2m n ASP 30 N 4.64 2.15 -0.20 6.67 2.03 -1.26 -4.75 116.55 125.83 1t2m n ASP 30 Ca -0.04 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.11 1t2m n ASP 30 Cb 0.43 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.33 0.00 -4.45 -0.67 4.76 -1.26 -5.06 118.16 111.81 1t2m n LYS 31 Ca 0.11 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.21 1t2m n LYS 31 Cb 0.41 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.50 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 3.36 0.04 -0.35 2.01 -1.26 -4.81 118.68 117.67 1t2m s LEU 32 Ca 0.00 0.01 0.08 0.00 0.01 0.00 0.00 54.13 54.22 1t2m s LEU 32 Cb 0.00 -1.82 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 1t2m s LEU 32 CO 0.00 0.34 -0.22 -0.83 1.01 0.00 0.00 176.35 176.64 1t2m s GLY 33 N -1.10 1.19 -0.45 -3.19 0.00 -1.06 -1.99 107.32 100.72 1t2m s GLY 33 Ca 0.15 -1.10 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 1t2m s GLY 33 CO 0.05 -1.02 0.57 -0.42 0.00 0.00 0.00 173.10 172.28 1t2m s ILE 34 N -0.79 4.93 0.47 0.90 -1.09 -1.03 -2.64 121.20 121.94 1t2m s ILE 34 Ca 0.09 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.36 1t2m s ILE 34 Cb -0.09 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1t2m s ILE 34 CO 0.02 -0.59 0.66 -0.31 -1.23 0.00 0.00 174.94 173.48 1t2m s TYR 35 N 2.55 2.92 -0.32 3.97 2.02 0.12 0.52 117.35 129.13 1t2m s TYR 35 Ca 0.17 -0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1t2m s TYR 35 Cb -0.16 -2.48 0.06 0.00 -0.40 0.00 0.00 41.96 38.97 1t2m s TYR 35 CO 0.15 -0.56 0.05 0.08 -1.57 0.00 0.00 175.55 173.71 1t2m s VAL 36 N -2.53 3.20 0.14 0.71 1.01 0.95 0.15 120.40 124.04 1t2m s VAL 36 Ca 0.54 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1t2m s VAL 36 Cb -0.10 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1t2m s VAL 36 CO 0.36 -0.20 1.49 0.07 0.00 0.00 0.00 175.10 176.81 1t2m h LYS 37 N 8.05 0.95 -1.69 2.72 -0.00 -1.47 0.83 116.57 125.96 1t2m h LYS 37 Ca -0.20 -0.48 0.29 0.00 -0.00 0.00 0.00 60.65 60.26 1t2m h LYS 37 Cb 1.06 0.01 -0.11 0.00 -0.00 0.00 0.00 32.23 33.19 1t2m h LYS 37 CO 0.57 1.14 0.74 -1.12 -0.00 0.00 0.00 179.45 180.78 1t2m s SER 38 N -6.80 -0.08 -0.05 7.07 0.01 -1.20 -3.78 113.70 108.86 1t2m s SER 38 Ca -0.11 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 56.94 1t2m s SER 38 Cb 0.11 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1t2m s SER 38 CO 0.88 -0.46 -0.03 -0.69 0.41 0.00 0.00 173.24 173.35 1t2m s VAL 39 N -2.63 0.48 0.32 3.43 1.01 -1.26 -0.82 120.40 120.92 1t2m s VAL 39 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1t2m s VAL 39 Cb 0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 36.38 35.77 1t2m s VAL 39 CO -0.02 0.23 1.46 -0.69 0.00 0.00 0.00 175.10 176.08 1t2m s VAL 40 N 1.13 2.33 0.66 2.92 1.01 0.22 -4.97 120.40 123.71 1t2m s VAL 40 Ca -0.08 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1t2m s VAL 40 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1t2m s VAL 40 CO -0.01 0.06 1.18 -0.54 0.00 0.00 0.00 175.10 175.79 1t2m s LYS 41 N -1.29 2.59 -1.51 2.72 -0.14 -1.26 -3.03 119.74 117.81 1t2m s LYS 41 Ca 0.56 1.69 0.00 0.00 -1.36 0.00 0.00 55.97 56.86 1t2m s LYS 41 Cb -0.44 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1t2m s LYS 41 CO 0.53 -1.47 0.00 0.41 -0.76 0.00 0.00 175.35 174.06 1t2m n GLY 42 N 0.21 1.43 0.00 -3.33 0.00 -1.26 -4.99 105.19 97.24 1t2m n GLY 42 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1t2m n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t2m n GLY 43 N -1.21 1.12 0.13 -0.02 0.00 -1.17 -4.94 105.19 99.10 1t2m n GLY 43 Ca -0.14 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 1t2m n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m n ALA 44 N -3.00 1.31 0.08 4.61 0.00 -1.26 -4.14 120.51 118.11 1t2m n ALA 44 Ca 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 53.44 52.24 1t2m n ALA 44 Cb 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 1t2m n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t2m h ALA 45 N -0.32 0.23 -0.79 0.00 0.00 -1.94 -2.96 119.26 113.48 1t2m h ALA 45 Ca -0.61 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.27 1t2m h ALA 45 Cb 1.80 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 1t2m h ALA 45 CO -0.19 1.11 0.35 0.22 0.00 0.00 0.00 179.25 180.74 1t2m h ASP 46 N 0.05 1.06 0.34 0.00 3.58 -1.85 0.18 116.42 119.79 1t2m h ASP 46 Ca -0.15 -0.14 -0.23 0.00 0.42 0.00 0.00 57.03 56.92 1t2m h ASP 46 Cb 1.95 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.73 1t2m h ASP 46 CO 0.17 0.92 -0.96 0.58 -2.88 0.00 0.00 179.24 177.07 1t2m h VAL 47 N 1.14 1.40 -0.28 2.25 2.07 -1.72 -3.29 116.25 117.82 1t2m h VAL 47 Ca 0.27 -2.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.19 1t2m h VAL 47 Cb 0.17 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1t2m h VAL 47 CO -0.03 0.74 -0.35 0.44 0.02 0.00 0.00 177.57 178.39 1t2m h ASP 48 N 0.23 0.80 -2.55 0.57 5.19 -1.32 -3.49 116.42 115.85 1t2m h ASP 48 Ca -0.08 -0.49 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 1t2m h ASP 48 Cb 1.60 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1t2m h ASP 48 CO 0.17 1.13 0.00 0.61 -3.12 0.00 0.00 179.24 178.03 1t2m n GLY 49 N 0.23 -0.36 1.62 2.75 0.00 0.60 -5.06 105.19 104.97 1t2m n GLY 49 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 0.00 -4.11 1.61 5.12 -1.24 -5.09 116.66 112.37 1t2m n ARG 50 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1t2m n ARG 50 Cb 0.15 -0.17 -0.12 0.00 -1.16 0.00 0.00 32.46 31.15 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 -5.23 2.21 0.00 0.55 0.05 -1.26 -5.05 118.68 109.95 1t2m s LEU 51 Ca 0.00 -0.48 0.00 0.00 0.05 0.00 0.00 54.13 53.70 1t2m s LEU 51 Cb 0.00 -0.25 0.00 0.00 -2.05 0.00 0.00 46.19 43.89 1t2m s LEU 51 CO 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 176.35 175.67 1t2m n ALA 52 N 1.70 0.00 -1.76 1.48 0.00 -1.26 -4.76 120.51 115.91 1t2m n ALA 52 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1t2m n ALA 52 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 1t2m n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t2m s ALA 53 N -2.00 2.98 -0.24 0.00 0.00 -1.26 -3.40 121.76 117.84 1t2m s ALA 53 Ca 0.00 1.20 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1t2m s ALA 53 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1t2m s ALA 53 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1t2m n GLY 54 N 0.62 0.26 4.00 0.00 0.00 0.28 -4.91 105.19 105.45 1t2m n GLY 54 Ca 0.08 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.87 5.16 0.41 1.61 1.01 -1.04 -2.46 116.67 118.49 1t2m s ASP 55 Ca 0.00 -0.80 0.07 0.00 0.71 0.00 0.00 52.55 52.54 1t2m s ASP 55 Cb -0.00 0.04 -0.07 0.00 1.01 0.00 0.00 42.92 43.90 1t2m s ASP 55 CO 0.00 -1.13 0.10 -1.58 0.21 0.00 0.00 175.17 172.77 1t2m s GLN 56 N -4.51 2.10 -0.21 8.23 -0.44 -1.09 -0.04 119.66 123.70 1t2m s GLN 56 Ca 0.56 -1.96 -0.19 0.00 -2.50 0.00 0.00 55.36 51.26 1t2m s GLN 56 Cb -0.06 -1.82 0.06 0.00 -1.64 0.00 0.00 33.01 29.54 1t2m s GLN 56 CO 0.35 -0.08 0.56 -1.17 0.50 0.00 0.00 175.29 175.45 1t2m s LEU 57 N -3.81 -0.19 0.09 3.68 0.20 0.19 -2.17 118.68 116.66 1t2m s LEU 57 Ca 0.38 1.14 0.00 0.00 0.69 0.00 0.00 54.13 56.34 1t2m s LEU 57 Cb 0.07 1.93 0.00 0.00 -0.43 0.00 0.00 46.19 47.76 1t2m s LEU 57 CO 0.20 -0.20 0.00 0.18 -0.29 0.00 0.00 176.35 176.25 1t2m n LEU 58 N 2.91 0.89 -4.38 -0.68 4.77 -0.17 -2.47 117.00 117.88 1t2m n LEU 58 Ca -0.14 0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 1t2m n LEU 58 Cb 0.56 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1t2m n LEU 58 CO 0.08 -0.65 -0.52 -0.44 -1.33 0.00 0.00 177.39 174.52 1t2m s SER 59 N -5.80 3.14 -0.04 -1.43 0.01 -1.25 -1.89 113.70 106.43 1t2m s SER 59 Ca 0.00 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.40 1t2m s SER 59 Cb 0.00 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.05 1t2m s SER 59 CO 0.00 0.08 0.07 -0.69 0.41 0.00 0.00 173.24 173.11 1t2m s VAL 60 N -1.69 -0.12 -1.53 3.43 1.01 -0.72 -0.91 120.40 119.87 1t2m s VAL 60 Ca 0.18 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 1t2m s VAL 60 Cb -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1t2m s VAL 60 CO 0.08 0.16 0.43 -0.67 0.00 0.00 0.00 175.10 175.10 1t2m n ASP 61 N 5.08 -5.57 0.00 3.32 -0.08 0.19 -0.89 116.55 118.59 1t2m n ASP 61 Ca -0.08 -0.21 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 1t2m n ASP 61 Cb 0.50 -4.55 0.00 0.00 2.34 0.00 0.00 41.12 39.41 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 -1.32 1.97 3.87 0.27 0.00 -1.26 -4.91 105.19 103.81 1t2m n GLY 62 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.28 3.79 -0.11 1.61 0.52 -0.07 -5.07 118.95 119.34 1t2m s ARG 63 Ca 0.00 0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 55.69 1t2m s ARG 63 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 1t2m s ARG 63 CO 0.00 -0.11 0.17 0.45 0.02 0.00 0.00 175.30 175.82 1t2m s SER 64 N -3.24 6.43 -0.19 0.23 0.15 -1.26 -1.76 113.70 114.07 1t2m s SER 64 Ca 0.53 0.52 0.21 0.00 0.70 0.00 0.00 55.95 57.91 1t2m s SER 64 Cb -0.10 -2.09 0.47 0.00 -1.71 0.00 0.00 66.02 62.59 1t2m s SER 64 CO 0.33 0.40 1.14 0.18 1.20 0.00 0.00 173.24 176.50 1t2m n LEU 65 N 1.97 1.92 -4.35 3.45 4.32 -0.79 -4.96 117.00 118.56 1t2m n LEU 65 Ca -0.19 -3.02 -0.46 0.00 -0.02 0.00 0.00 56.01 52.32 1t2m n LEU 65 Cb 0.55 0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 42.49 1t2m n LEU 65 CO 0.32 1.05 0.47 -0.69 -1.22 0.00 0.00 177.39 177.31 1t2m s VAL 66 N -2.80 5.34 0.00 4.08 1.01 -1.26 -4.12 120.40 122.64 1t2m s VAL 66 Ca 0.33 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1t2m s VAL 66 Cb 0.35 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1t2m s VAL 66 CO -0.07 -1.09 0.00 0.61 0.00 0.00 0.00 175.10 174.55 1t2m n GLY 67 N 4.53 1.25 2.74 4.51 0.00 -0.84 -4.62 105.19 112.76 1t2m n GLY 67 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1t2m n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t2m n LEU 68 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.55 117.00 116.95 1t2m n LEU 68 Ca 0.00 -0.97 -0.06 0.00 -0.03 0.00 0.00 56.01 54.96 1t2m n LEU 68 Cb 0.00 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.33 1t2m n LEU 68 CO 0.00 -1.57 -0.02 -0.24 -1.33 0.00 0.00 177.39 174.22 1t2m n SER 69 N -4.06 1.87 0.22 -1.43 2.88 -1.26 -4.74 113.62 107.11 1t2m n SER 69 Ca 0.12 -1.39 0.06 0.00 -1.33 0.00 0.00 58.87 56.32 1t2m n SER 69 Cb 0.44 0.04 0.53 0.00 -0.75 0.00 0.00 64.21 64.46 1t2m n SER 69 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1t2m h GLN 70 N 0.00 0.04 0.06 -1.46 4.15 -1.91 -0.94 115.11 115.04 1t2m h GLN 70 Ca -0.07 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1t2m h GLN 70 Cb 0.24 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1t2m h GLN 70 CO 0.12 0.15 -0.03 0.93 -1.93 0.00 0.00 178.83 178.07 1t2m h GLU 71 N 0.04 -0.08 -0.29 1.69 5.08 -1.99 -1.19 114.58 117.82 1t2m h GLU 71 Ca 0.01 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1t2m h GLU 71 Cb 0.23 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1t2m h GLU 71 CO 0.02 0.07 -0.29 0.00 -1.00 0.00 0.00 179.01 177.81 1t2m h ARG 72 N -0.22 0.71 -0.41 2.33 -0.00 -1.90 -2.53 114.38 112.36 1t2m h ARG 72 Ca -0.01 -0.37 0.06 0.00 -0.50 0.00 0.00 59.98 59.16 1t2m h ARG 72 Cb 0.19 0.01 -0.05 0.00 0.00 0.00 0.00 29.97 30.12 1t2m h ARG 72 CO 0.01 0.99 0.10 0.00 0.00 0.00 0.00 179.97 181.08 1t2m h ALA 73 N 0.71 0.46 0.07 0.04 0.00 -1.14 -1.14 119.26 118.26 1t2m h ALA 73 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t2m h ALA 73 Cb 0.86 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1t2m h ALA 73 CO 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 179.25 178.99 1t2m h ALA 74 N 1.29 -0.82 -0.90 0.00 0.00 -1.22 -2.02 119.26 115.59 1t2m h ALA 74 Ca 0.19 -0.02 0.38 0.00 0.00 0.00 0.00 54.91 55.46 1t2m h ALA 74 Cb 0.22 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.88 1t2m h ALA 74 CO -0.24 -0.82 0.49 -1.91 0.00 0.00 0.00 179.25 176.77 1t2m n GLU 75 N -2.29 -0.05 -0.09 0.00 4.07 -0.96 0.14 120.64 121.46 1t2m n GLU 75 Ca -0.01 1.23 -0.14 0.00 -0.06 0.00 0.00 57.16 58.18 1t2m n GLU 75 Cb 0.04 -2.22 -0.04 0.00 -0.06 0.00 0.00 31.44 29.16 1t2m n GLU 75 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1t2m h LEU 76 N 0.00 0.99 -0.14 4.31 3.38 -1.18 -3.11 115.31 119.56 1t2m h LEU 76 Ca 0.76 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1t2m h LEU 76 Cb 2.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1t2m h LEU 76 CO -0.68 1.30 -0.19 0.80 0.09 0.00 0.00 178.44 179.76 1t2m n MET 77 N -4.03 0.38 0.05 1.13 1.56 0.37 -3.74 117.12 112.83 1t2m n MET 77 Ca -0.04 -0.14 -0.06 0.00 -0.27 0.00 0.00 57.70 57.19 1t2m n MET 77 Cb 0.60 -1.50 -0.11 0.00 2.15 0.00 0.00 33.22 34.36 1t2m n MET 77 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1t2m h THR 78 N 0.35 1.32 -0.54 1.12 2.02 -0.24 -3.30 112.91 113.64 1t2m h THR 78 Ca 0.00 -3.01 -0.30 0.00 0.77 0.00 0.00 66.41 63.87 1t2m h THR 78 Cb 0.43 2.64 -0.17 0.00 -1.74 0.00 0.00 68.15 69.32 1t2m h THR 78 CO 0.00 0.75 0.38 0.54 0.37 0.00 0.00 175.52 177.57 1t2m n ARG 79 N -3.23 1.72 -1.92 6.66 1.74 -1.22 -4.94 116.66 115.48 1t2m n ARG 79 Ca -0.05 -1.66 -0.30 0.00 -0.77 0.00 0.00 57.85 55.08 1t2m n ARG 79 Cb 0.94 -1.65 0.16 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.95 2.00 0.00 0.55 -4.23 -1.24 -5.11 115.64 105.65 1t2m s THR 80 Ca 0.32 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1t2m s THR 80 Cb 0.26 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1t2m s THR 80 CO 0.05 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.89 1t2m n SER 81 N -3.67 1.06 0.13 3.99 2.88 -1.26 -5.01 113.62 111.75 1t2m n SER 81 Ca 0.13 -0.07 0.17 0.00 -1.33 0.00 0.00 58.87 57.78 1t2m n SER 81 Cb 0.60 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.81 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1t2m h SER 82 N 0.00 0.00 -4.19 -3.46 0.02 -1.90 -3.37 113.55 100.64 1t2m h SER 82 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1t2m h SER 82 Cb 0.00 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.27 1t2m h SER 82 CO 0.00 0.00 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.23 1t2m s VAL 83 N -4.82 0.76 -0.26 2.27 1.01 -1.26 -1.49 120.40 116.61 1t2m s VAL 83 Ca -0.05 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1t2m s VAL 83 Cb 0.17 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.96 1t2m s VAL 83 CO 0.62 0.07 0.62 0.54 0.00 0.00 0.00 175.10 176.96 1t2m s VAL 84 N -0.52 -0.27 -0.55 2.92 0.11 -0.93 -4.93 120.40 116.23 1t2m s VAL 84 Ca 0.01 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.83 1t2m s VAL 84 Cb -0.05 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1t2m s VAL 84 CO 0.00 0.01 1.01 0.42 -3.33 0.00 0.00 175.10 173.21 1t2m s THR 85 N 1.95 4.29 -0.28 5.04 -4.23 -1.26 0.43 115.64 121.59 1t2m s THR 85 Ca -0.09 0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 60.86 1t2m s THR 85 Cb -0.08 -4.58 0.01 0.00 1.34 0.00 0.00 72.50 69.19 1t2m s THR 85 CO -0.18 -1.15 0.05 -0.76 -0.54 0.00 0.00 174.62 172.03 1t2m s LEU 86 N 4.21 3.68 -0.47 4.79 1.43 0.24 0.53 118.68 133.10 1t2m s LEU 86 Ca 0.34 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 1t2m s LEU 86 Cb -0.11 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1t2m s LEU 86 CO 0.21 -0.17 0.79 -0.70 0.23 0.00 0.00 176.35 176.72 1t2m s GLU 87 N 1.47 3.37 0.41 1.70 2.12 -0.09 -2.55 118.70 125.13 1t2m s GLU 87 Ca 0.02 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1t2m s GLU 87 Cb -0.17 -3.97 -0.07 0.00 0.26 0.00 0.00 34.13 30.19 1t2m s GLU 87 CO 0.01 -1.17 0.09 0.14 -0.54 0.00 0.00 175.26 173.79 1t2m s VAL 88 N 3.31 2.16 -0.09 3.70 -7.23 -0.08 -0.99 120.40 121.18 1t2m s VAL 88 Ca 0.29 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1t2m s VAL 88 Cb -0.13 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 33.82 1t2m s VAL 88 CO 0.21 -0.00 -0.24 0.00 -0.31 0.00 0.00 175.10 174.76 1t2m s ALA 89 N -2.65 2.13 -1.22 1.32 0.00 -0.92 0.19 121.76 120.61 1t2m s ALA 89 Ca 0.38 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 1t2m s ALA 89 Cb 0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1t2m s ALA 89 CO 0.20 0.31 1.96 1.63 0.00 0.00 0.00 175.76 179.86 1t2m n LYS 90 N 3.41 2.46 -1.14 0.00 4.76 0.20 -2.66 118.16 125.18 1t2m n LYS 90 Ca -0.19 -2.64 0.00 0.00 -2.87 0.00 0.00 58.31 52.61 1t2m n LYS 90 Cb 0.53 -3.37 0.00 0.00 -1.84 0.00 0.00 35.03 30.35 1t2m n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2m n GLN 91 N 7.43 2.21 0.00 1.97 10.64 -1.26 -4.64 117.38 133.73 1t2m n GLN 91 Ca 0.49 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 1t2m n GLN 91 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.81 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 3.86 4.68 0.00 2.61 0.00 -1.03 -4.35 105.19 110.96 1t2m n GLY 92 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32