#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2m n LYS 2 N 0.00 -2.83 -3.40 3.17 0.00 -1.26 -4.90 118.16 108.94 1t2m n LYS 2 Ca 0.00 2.08 -0.44 0.00 0.00 0.00 0.00 58.31 59.96 1t2m n LYS 2 Cb 0.00 -2.33 -0.09 0.00 0.00 0.00 0.00 35.03 32.62 1t2m n LYS 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1t2m s GLU 3 N -4.06 2.99 1.17 1.64 0.41 -1.26 -5.08 118.70 114.52 1t2m s GLU 3 Ca 0.00 -1.13 -0.16 0.00 -0.41 0.00 0.00 54.97 53.27 1t2m s GLU 3 Cb 0.00 -4.05 0.21 0.00 -1.78 0.00 0.00 34.13 28.51 1t2m s GLU 3 CO 0.00 -0.90 0.48 -2.30 -0.49 0.00 0.00 175.26 172.05 1t2m n PRO 4 N 5.26 -2.23 -2.35 0.39 -0.02 -1.26 -4.83 135.00 129.97 1t2m n PRO 4 Ca -0.11 -0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 60.38 1t2m n PRO 4 Cb 0.46 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 -3.90 3.23 -0.14 -0.52 2.12 -1.25 -4.95 118.70 113.30 1t2m s GLU 5 Ca 0.62 -1.11 -0.18 0.00 0.36 0.00 0.00 54.97 54.65 1t2m s GLU 5 Cb -0.18 -5.31 -0.04 0.00 0.26 0.00 0.00 34.13 28.87 1t2m s GLU 5 CO 0.65 -2.81 0.50 0.42 -0.54 0.00 0.00 175.26 173.48 1t2m s ILE 6 N 7.11 5.16 -0.02 -3.70 -1.09 -1.26 -1.42 121.20 125.99 1t2m s ILE 6 Ca 0.58 0.97 -0.12 0.00 -2.23 0.00 0.00 60.65 59.85 1t2m s ILE 6 Cb -0.01 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1t2m s ILE 6 CO 0.00 0.28 0.25 0.27 -1.23 0.00 0.00 174.94 174.52 1t2m s ILE 7 N 0.90 0.06 -0.10 2.92 -4.36 -0.36 -5.01 121.20 115.26 1t2m s ILE 7 Ca 0.26 -0.51 0.04 0.00 -0.26 0.00 0.00 60.65 60.18 1t2m s ILE 7 Cb -0.15 -0.54 -0.00 0.00 1.25 0.00 0.00 42.46 43.02 1t2m s ILE 7 CO 0.10 -0.28 -0.22 -0.89 0.24 0.00 0.00 174.94 173.89 1t2m s THR 8 N -1.23 2.24 -0.00 8.37 2.01 -1.26 0.38 115.64 126.15 1t2m s THR 8 Ca -0.13 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 60.97 1t2m s THR 8 Cb -0.06 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1t2m s THR 8 CO 0.03 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 1t2m s VAL 9 N 0.25 1.47 -0.91 3.82 1.01 -0.79 -4.92 120.40 120.33 1t2m s VAL 9 Ca -0.15 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1t2m s VAL 9 Cb -0.17 -1.23 0.07 0.00 0.00 0.00 0.00 36.38 35.05 1t2m s VAL 9 CO 0.08 0.36 1.27 0.42 0.00 0.00 0.00 175.10 177.22 1t2m s THR 10 N -0.51 4.17 -0.02 3.92 -4.23 -1.26 -2.11 115.64 115.61 1t2m s THR 10 Ca 0.07 -0.78 -0.25 0.00 -1.18 0.00 0.00 61.69 59.54 1t2m s THR 10 Cb -0.07 -4.91 -0.04 0.00 1.34 0.00 0.00 72.50 68.81 1t2m s THR 10 CO -0.00 -1.75 0.77 -0.22 -0.54 0.00 0.00 174.62 172.88 1t2m s LEU 11 N 4.31 4.37 -0.03 4.79 2.96 0.63 -4.75 118.68 130.96 1t2m s LEU 11 Ca 0.38 1.36 -0.14 0.00 -0.22 0.00 0.00 54.13 55.50 1t2m s LEU 11 Cb -0.05 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1t2m s LEU 11 CO -0.04 -0.09 0.37 -0.75 -1.32 0.00 0.00 176.35 174.52 1t2m s LYS 12 N 0.52 3.90 0.68 1.98 2.20 -1.26 -0.56 119.74 127.19 1t2m s LYS 12 Ca 0.40 0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 56.19 1t2m s LYS 12 Cb -0.19 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1t2m s LYS 12 CO 0.21 0.65 1.12 0.15 -0.36 0.00 0.00 175.35 177.12 1t2m s LYS 13 N -0.89 2.66 -0.40 4.03 -0.14 -0.87 -4.72 119.74 119.41 1t2m s LYS 13 Ca 0.22 1.42 0.09 0.00 -1.36 0.00 0.00 55.97 56.34 1t2m s LYS 13 Cb -0.16 -1.93 0.28 0.00 -1.68 0.00 0.00 37.83 34.34 1t2m s LYS 13 CO 0.11 -1.36 0.67 1.04 -0.76 0.00 0.00 175.35 175.05 1t2m n GLN 14 N -2.55 0.81 -3.19 1.68 3.00 -1.26 -4.93 117.38 110.94 1t2m n GLN 14 Ca 0.11 -2.96 -0.23 0.00 -0.01 0.00 0.00 57.00 53.91 1t2m n GLN 14 Cb 0.52 -1.37 0.03 0.00 0.00 0.00 0.00 30.24 29.42 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 1.07 -5.63 0.00 1.08 4.05 -1.26 -4.81 115.26 109.75 1t2m n ASN 15 Ca 0.19 -0.36 0.00 0.00 0.45 0.00 0.00 54.58 54.87 1t2m n ASN 15 Cb 0.59 -4.55 0.00 0.00 1.23 0.00 0.00 39.78 37.05 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 -1.52 0.09 0.40 8.20 0.00 -1.26 -5.07 105.19 106.03 1t2m n GLY 16 Ca -0.07 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1t2m n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t2m n MET 17 N -0.42 0.00 -2.18 1.61 2.81 -1.26 -4.86 117.12 112.81 1t2m n MET 17 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1t2m n MET 17 Cb 0.00 -0.13 0.01 0.00 -0.71 0.00 0.00 33.22 32.39 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1t2m n GLY 18 N 2.97 0.38 2.84 3.03 0.00 -1.26 -4.39 105.19 108.76 1t2m n GLY 18 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.43 -0.40 0.01 0.99 1.02 -1.26 0.30 118.68 116.90 1t2m s LEU 19 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 54.13 53.90 1t2m s LEU 19 Cb -0.00 0.79 -0.03 0.00 0.02 0.00 0.00 46.19 46.97 1t2m s LEU 19 CO 0.08 -0.31 0.95 -0.55 0.02 0.00 0.00 176.35 176.54 1t2m s SER 20 N 2.45 7.35 0.41 2.29 0.15 -0.64 -5.01 113.70 120.70 1t2m s SER 20 Ca 0.10 1.63 0.04 0.00 0.70 0.00 0.00 55.95 58.42 1t2m s SER 20 Cb -0.16 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1t2m s SER 20 CO -0.14 -0.23 0.13 0.27 1.20 0.00 0.00 173.24 174.48 1t2m s ILE 21 N 0.89 0.58 -0.06 6.45 -5.25 -1.26 -1.87 121.20 120.68 1t2m s ILE 21 Ca 0.50 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 58.04 1t2m s ILE 21 Cb -0.21 -2.34 0.02 0.00 2.95 0.00 0.00 42.46 42.89 1t2m s ILE 21 CO 0.27 0.00 0.29 0.54 -1.79 0.00 0.00 174.94 174.25 1t2m s VAL 22 N -3.20 0.03 -0.92 8.37 0.11 -0.11 -4.87 120.40 119.80 1t2m s VAL 22 Ca 0.24 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1t2m s VAL 22 Cb 0.02 -0.51 0.23 0.00 -1.53 0.00 0.00 36.38 34.60 1t2m s VAL 22 CO 0.15 -0.15 0.86 0.00 -3.33 0.00 0.00 175.10 172.63 1t2m s ALA 23 N -0.62 4.30 0.52 1.54 0.00 -1.26 -0.92 121.76 125.33 1t2m s ALA 23 Ca -0.07 -3.60 0.01 0.00 0.00 0.00 0.00 51.96 48.30 1t2m s ALA 23 Cb -0.04 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1t2m s ALA 23 CO 0.02 -2.21 0.05 0.00 0.00 0.00 0.00 175.76 173.62 1t2m s ALA 24 N -0.64 4.24 0.95 0.00 0.00 -1.11 -4.85 121.76 120.36 1t2m s ALA 24 Ca 0.24 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.74 1t2m s ALA 24 Cb -0.11 -0.08 0.19 0.00 0.00 0.00 0.00 23.12 23.12 1t2m s ALA 24 CO -0.09 -0.07 1.30 0.21 0.00 0.00 0.00 175.76 177.12 1t2m s LYS 25 N -3.94 0.78 -0.06 0.00 2.20 -1.26 -1.10 119.74 116.36 1t2m s LYS 25 Ca 0.06 -0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.22 1t2m s LYS 25 Cb 0.00 -1.86 0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1t2m s LYS 25 CO 0.04 -2.33 0.28 0.20 -0.36 0.00 0.00 175.35 173.18 1t2m s GLY 26 N -4.84 -0.16 0.65 5.54 0.00 -1.25 -4.78 107.32 102.49 1t2m s GLY 26 Ca 0.72 0.52 -0.15 0.00 0.00 0.00 0.00 44.72 45.81 1t2m s GLY 26 CO 0.53 0.36 1.09 0.00 0.00 0.00 0.00 173.10 175.08 1t2m s ALA 27 N -0.62 2.53 -2.13 3.20 0.00 -1.26 -2.65 121.76 120.83 1t2m s ALA 27 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1t2m s ALA 27 Cb -0.04 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1t2m s ALA 27 CO 0.02 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1t2m n GLY 28 N -0.76 1.91 0.00 0.00 0.00 -1.26 -4.89 105.19 100.19 1t2m n GLY 28 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1t2m n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1t2m n GLN 29 N -2.31 1.30 -0.86 1.61 0.00 -1.09 -4.97 117.38 111.07 1t2m n GLN 29 Ca -0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.78 1t2m n GLN 29 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.90 1t2m n GLN 29 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1t2m n ASP 30 N 0.00 -0.34 -1.34 1.69 2.03 -1.26 -4.94 116.55 112.40 1t2m n ASP 30 Ca 0.00 -0.75 -0.03 0.00 0.52 0.00 0.00 54.79 54.53 1t2m n ASP 30 Cb 0.00 0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.08 0.10 -3.71 -0.67 4.76 -1.26 -5.06 118.16 112.24 1t2m n LYS 31 Ca -0.08 -0.48 -0.38 0.00 -2.87 0.00 0.00 58.31 54.49 1t2m n LYS 31 Cb 0.43 0.44 -0.11 0.00 -1.84 0.00 0.00 35.03 33.94 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 4.79 0.61 -0.35 1.02 -1.26 -3.85 118.68 119.64 1t2m s LEU 32 Ca 0.05 -1.47 0.03 0.00 0.02 0.00 0.00 54.13 52.76 1t2m s LEU 32 Cb -0.00 -1.89 0.08 0.00 0.02 0.00 0.00 46.19 44.40 1t2m s LEU 32 CO 0.04 -0.45 0.85 -0.83 0.02 0.00 0.00 176.35 175.98 1t2m s GLY 33 N 1.76 1.79 -0.37 -3.19 0.00 -0.26 -1.89 107.32 105.16 1t2m s GLY 33 Ca 0.02 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 1t2m s GLY 33 CO 0.01 -1.26 0.24 -0.42 0.00 0.00 0.00 173.10 171.67 1t2m s ILE 34 N -2.86 4.91 0.14 0.90 -1.09 -1.05 -2.74 121.20 119.41 1t2m s ILE 34 Ca 0.62 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1t2m s ILE 34 Cb -0.07 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1t2m s ILE 34 CO 0.40 -0.19 0.16 -0.31 -1.23 0.00 0.00 174.94 173.77 1t2m s TYR 35 N 1.63 3.23 -0.24 3.97 2.02 -0.09 0.69 117.35 128.56 1t2m s TYR 35 Ca 0.04 0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 56.67 1t2m s TYR 35 Cb -0.19 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1t2m s TYR 35 CO 0.08 0.52 0.16 0.08 -1.57 0.00 0.00 175.55 174.82 1t2m s VAL 36 N -1.67 5.36 -0.19 0.71 1.01 0.73 -0.94 120.40 125.40 1t2m s VAL 36 Ca 0.31 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.56 1t2m s VAL 36 Cb -0.11 -3.49 -0.18 0.00 0.00 0.00 0.00 36.38 32.60 1t2m s VAL 36 CO 0.24 0.35 -0.06 2.29 0.00 0.00 0.00 175.10 177.92 1t2m n LYS 37 N 4.22 0.91 -3.73 2.72 2.85 -0.78 -0.39 118.16 123.96 1t2m n LYS 37 Ca -0.15 0.06 -0.05 0.00 -1.05 0.00 0.00 58.31 57.11 1t2m n LYS 37 Cb 0.52 -1.43 -0.02 0.00 -0.65 0.00 0.00 35.03 33.45 1t2m n LYS 37 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1t2m s SER 38 N -5.56 -0.24 -0.01 -5.58 0.01 -1.20 -4.18 113.70 96.94 1t2m s SER 38 Ca -0.18 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1t2m s SER 38 Cb 0.06 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1t2m s SER 38 CO 0.60 -0.97 -0.05 -0.69 0.41 0.00 0.00 173.24 172.53 1t2m s VAL 39 N -3.43 0.43 0.11 3.43 1.01 -1.26 -1.62 120.40 119.07 1t2m s VAL 39 Ca 0.11 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1t2m s VAL 39 Cb -0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 1t2m s VAL 39 CO 0.01 0.13 1.03 -0.69 0.00 0.00 0.00 175.10 175.58 1t2m s VAL 40 N 0.03 4.31 0.31 2.92 1.01 0.15 -4.97 120.40 124.15 1t2m s VAL 40 Ca 0.00 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 1t2m s VAL 40 Cb -0.04 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1t2m s VAL 40 CO -0.00 0.27 1.17 -0.54 0.00 0.00 0.00 175.10 176.00 1t2m s LYS 41 N 0.11 4.50 0.00 2.72 -0.14 -1.26 -3.20 119.74 122.47 1t2m s LYS 41 Ca 0.49 1.94 0.00 0.00 -1.36 0.00 0.00 55.97 57.04 1t2m s LYS 41 Cb -0.25 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.79 1t2m s LYS 41 CO 0.31 0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.35 1t2m n GLY 42 N 1.01 1.88 0.00 -3.33 0.00 -1.26 -5.06 105.19 98.43 1t2m n GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 -1.86 0.12 -0.02 0.00 -1.19 -4.94 105.19 95.30 1t2m n GLY 43 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 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 1.10 0.09 4.61 0.00 -1.26 -3.78 120.51 118.27 1t2m n ALA 44 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 1t2m n ALA 44 Cb 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 0.38 -0.17 -0.91 0.00 0.00 -1.87 0.15 119.26 116.84 1t2m h ALA 45 Ca -0.39 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1t2m h ALA 45 Cb 2.03 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.84 1t2m h ALA 45 CO 0.08 -0.54 0.60 0.22 0.00 0.00 0.00 179.25 179.61 1t2m h ASP 46 N -0.28 1.04 0.52 0.00 1.82 -1.82 -2.11 116.42 115.59 1t2m h ASP 46 Ca -0.02 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.44 1t2m h ASP 46 Cb 0.22 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1t2m h ASP 46 CO 0.03 0.75 -0.69 0.58 -1.61 0.00 0.00 179.24 178.29 1t2m h VAL 47 N 1.22 1.44 -0.65 2.25 2.07 -1.62 -3.21 116.25 117.77 1t2m h VAL 47 Ca 0.34 -2.24 0.04 0.00 0.82 0.00 0.00 66.70 65.66 1t2m h VAL 47 Cb -0.13 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1t2m h VAL 47 CO -0.08 0.65 0.38 -0.78 0.02 0.00 0.00 177.57 177.77 1t2m h ASP 48 N 0.10 0.59 -3.59 0.57 3.58 -0.01 -3.47 116.42 114.20 1t2m h ASP 48 Ca -0.02 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1t2m h ASP 48 Cb 1.23 -0.11 0.07 0.00 1.72 0.00 0.00 39.33 42.25 1t2m h ASP 48 CO 0.10 0.40 -0.32 0.61 -2.88 0.00 0.00 179.24 177.15 1t2m n GLY 49 N -1.28 0.10 0.64 -0.78 0.00 -1.10 -4.99 105.19 97.79 1t2m n GLY 49 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.27 0.00 -4.32 1.61 5.12 -1.26 -5.12 116.66 110.42 1t2m n ARG 50 Ca -0.10 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.64 1t2m n ARG 50 Cb 0.57 -0.66 -0.10 0.00 -1.16 0.00 0.00 32.46 31.11 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 -5.47 1.62 0.00 0.55 0.05 -1.26 -5.15 118.68 109.01 1t2m s LEU 51 Ca 0.00 -1.48 0.00 0.00 0.05 0.00 0.00 54.13 52.70 1t2m s LEU 51 Cb 0.00 0.15 0.00 0.00 -2.05 0.00 0.00 46.19 44.29 1t2m s LEU 51 CO 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 176.35 174.97 1t2m n ALA 52 N -0.52 0.00 -1.62 1.48 0.00 -1.26 -4.85 120.51 113.74 1t2m n ALA 52 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1t2m n ALA 52 Cb 0.65 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.75 2.57 -0.43 0.00 0.00 -1.26 -4.05 121.76 116.83 1t2m s ALA 53 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1t2m s ALA 53 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1t2m s ALA 53 CO 0.00 -1.06 0.36 0.41 0.00 0.00 0.00 175.76 175.47 1t2m n GLY 54 N -0.25 0.21 3.60 0.00 0.00 0.48 -4.98 105.19 104.26 1t2m n GLY 54 Ca 0.11 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.40 3.66 -0.06 1.61 1.11 -1.01 -4.69 116.67 113.88 1t2m s ASP 55 Ca 0.04 -1.39 0.06 0.00 0.18 0.00 0.00 52.55 51.43 1t2m s ASP 55 Cb -0.02 -0.29 -0.01 0.00 1.07 0.00 0.00 42.92 43.68 1t2m s ASP 55 CO 0.25 -0.50 -0.24 -1.58 1.18 0.00 0.00 175.17 174.28 1t2m s GLN 56 N -3.75 2.61 -0.10 8.23 -0.44 -1.08 -0.20 119.66 124.94 1t2m s GLN 56 Ca 0.33 -0.88 0.04 0.00 -2.50 0.00 0.00 55.36 52.34 1t2m s GLN 56 Cb 0.09 -2.20 0.00 0.00 -1.64 0.00 0.00 33.01 29.26 1t2m s GLN 56 CO 0.17 0.38 -0.22 -1.17 0.50 0.00 0.00 175.29 174.94 1t2m s LEU 57 N -0.14 2.04 -0.05 3.68 1.98 0.22 0.84 118.68 127.25 1t2m s LEU 57 Ca -0.04 -0.54 -0.09 0.00 -2.89 0.00 0.00 54.13 50.57 1t2m s LEU 57 Cb -0.14 -1.35 -0.03 0.00 0.66 0.00 0.00 46.19 45.33 1t2m s LEU 57 CO 0.04 0.14 -0.17 0.18 -1.89 0.00 0.00 176.35 174.64 1t2m n LEU 58 N 3.63 1.37 -4.60 -0.68 4.77 -1.01 -2.55 117.00 117.94 1t2m n LEU 58 Ca -0.19 0.21 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 1t2m n LEU 58 Cb 0.53 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1t2m n LEU 58 CO 0.28 -0.48 -0.39 -0.94 -1.33 0.00 0.00 177.39 174.52 1t2m s SER 59 N -5.73 4.57 -0.10 -1.43 1.04 -1.26 -0.91 113.70 109.87 1t2m s SER 59 Ca -0.14 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1t2m s SER 59 Cb 0.02 -1.00 0.03 0.00 0.10 0.00 0.00 66.02 65.17 1t2m s SER 59 CO 0.21 0.24 -0.04 -0.69 0.98 0.00 0.00 173.24 173.94 1t2m s VAL 60 N -1.10 0.75 -1.57 5.02 1.01 0.20 -1.26 120.40 123.45 1t2m s VAL 60 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1t2m s VAL 60 Cb -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1t2m s VAL 60 CO 0.11 0.28 0.62 -0.67 0.00 0.00 0.00 175.10 175.44 1t2m n ASP 61 N 5.02 -6.18 0.00 3.32 2.03 0.11 -1.62 116.55 119.22 1t2m n ASP 61 Ca -0.10 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1t2m n ASP 61 Cb 0.50 -4.99 0.00 0.00 -0.72 0.00 0.00 41.12 35.90 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2m n GLY 62 N -1.54 2.60 3.81 0.27 0.00 -1.24 -4.85 105.19 104.24 1t2m n GLY 62 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.45 4.06 -0.36 1.61 0.52 -0.64 -5.05 118.95 118.63 1t2m s ARG 63 Ca 0.00 0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 55.49 1t2m s ARG 63 Cb 0.00 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.21 1t2m s ARG 63 CO 0.00 0.59 0.71 0.45 0.02 0.00 0.00 175.30 177.07 1t2m s SER 64 N -0.80 6.49 -1.09 0.23 0.15 -1.26 0.58 113.70 117.99 1t2m s SER 64 Ca 0.25 0.24 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 1t2m s SER 64 Cb -0.17 -2.36 0.29 0.00 -1.71 0.00 0.00 66.02 62.06 1t2m s SER 64 CO 0.14 -0.67 1.21 0.18 1.20 0.00 0.00 173.24 175.31 1t2m n LEU 65 N 6.23 5.72 -3.91 3.45 4.77 -0.09 -4.94 117.00 128.24 1t2m n LEU 65 Ca 0.01 -5.10 -0.30 0.00 -0.03 0.00 0.00 56.01 50.59 1t2m n LEU 65 Cb 0.48 -1.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.04 1t2m n LEU 65 CO 0.51 1.47 -0.22 -0.69 -1.33 0.00 0.00 177.39 177.14 1t2m s VAL 66 N -1.77 2.27 0.00 4.08 1.01 -1.26 -4.41 120.40 120.31 1t2m s VAL 66 Ca 0.31 -3.00 0.00 0.00 0.00 0.00 0.00 61.98 59.29 1t2m s VAL 66 Cb -0.05 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1t2m s VAL 66 CO -0.02 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.90 1t2m n GLY 67 N 3.38 1.74 3.37 4.51 0.00 -0.79 -4.76 105.19 112.64 1t2m n GLY 67 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 2.46 0.68 0.99 1.43 -1.24 -4.85 118.68 118.16 1t2m s LEU 68 Ca 0.00 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 1t2m s LEU 68 Cb 0.00 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1t2m s LEU 68 CO 0.00 0.01 1.06 -0.44 0.23 0.00 0.00 176.35 177.22 1t2m s SER 69 N -2.79 5.34 0.38 2.29 0.01 -1.26 -4.83 113.70 112.85 1t2m s SER 69 Ca 0.19 1.70 0.11 0.00 1.31 0.00 0.00 55.95 59.25 1t2m s SER 69 Cb -0.06 -2.51 0.89 0.00 0.21 0.00 0.00 66.02 64.55 1t2m s SER 69 CO 0.08 -1.47 1.91 -0.61 0.41 0.00 0.00 173.24 173.57 1t2m h GLN 70 N -0.51 0.58 -0.51 12.44 4.15 -1.96 -0.97 115.11 128.33 1t2m h GLN 70 Ca -0.44 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 1t2m h GLN 70 Cb 1.22 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1t2m h GLN 70 CO 0.56 0.38 0.26 1.49 -1.93 0.00 0.00 178.83 179.60 1t2m h GLU 71 N 0.60 0.72 0.23 1.69 4.81 -1.98 0.16 114.58 120.82 1t2m h GLU 71 Ca 0.38 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1t2m h GLU 71 Cb 0.65 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1t2m h GLU 71 CO -0.15 0.59 -0.11 0.00 -0.73 0.00 0.00 179.01 178.61 1t2m h ARG 72 N 0.68 -0.30 0.20 1.92 2.47 -1.57 0.54 114.38 118.32 1t2m h ARG 72 Ca 0.18 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 1t2m h ARG 72 Cb 0.09 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1t2m h ARG 72 CO -0.03 -0.05 -0.09 0.00 0.56 0.00 0.00 179.97 180.36 1t2m h ALA 73 N 0.19 -0.26 -0.36 0.04 0.00 -1.31 0.10 119.26 117.66 1t2m h ALA 73 Ca -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1t2m h ALA 73 Cb 0.39 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1t2m h ALA 73 CO 0.05 -0.62 0.20 0.00 0.00 0.00 0.00 179.25 178.88 1t2m h ALA 74 N 0.47 0.45 -0.59 0.00 0.00 -0.72 0.31 119.26 119.17 1t2m h ALA 74 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1t2m h ALA 74 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1t2m h ALA 74 CO 0.04 -0.16 0.24 1.49 0.00 0.00 0.00 179.25 180.86 1t2m h GLU 75 N 0.40 0.86 -0.17 0.00 4.57 -0.79 -1.40 114.58 118.05 1t2m h GLU 75 Ca 0.15 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 1t2m h GLU 75 Cb 0.04 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1t2m h GLU 75 CO -0.09 0.70 -0.42 -0.07 -1.18 0.00 0.00 179.01 177.95 1t2m h LEU 76 N 0.85 0.41 -0.27 1.64 3.38 -0.11 -2.32 115.31 118.89 1t2m h LEU 76 Ca 0.20 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1t2m h LEU 76 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1t2m h LEU 76 CO -0.02 0.79 -0.62 0.24 0.09 0.00 0.00 178.44 178.92 1t2m h MET 77 N 0.32 0.82 -0.11 1.13 2.86 -0.39 -3.16 114.93 116.41 1t2m h MET 77 Ca 0.03 -0.57 -0.10 0.00 -2.06 0.00 0.00 59.70 57.00 1t2m h MET 77 Cb 0.88 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1t2m h MET 77 CO 0.07 1.19 -0.39 0.00 1.06 0.00 0.00 176.91 178.85 1t2m h THR 78 N 0.61 1.30 -1.05 2.22 1.03 -1.21 -3.15 112.91 112.66 1t2m h THR 78 Ca -0.01 -1.45 -0.50 0.00 -0.01 0.00 0.00 66.41 64.44 1t2m h THR 78 Cb 1.23 1.64 -0.18 0.00 -1.07 0.00 0.00 68.15 69.78 1t2m h THR 78 CO 0.13 0.43 0.46 -2.11 -0.01 0.00 0.00 175.52 174.43 1t2m n ARG 79 N -4.05 2.35 -3.81 0.00 1.85 -0.88 -4.94 116.66 107.19 1t2m n ARG 79 Ca -0.01 -2.35 -0.24 0.00 -1.00 0.00 0.00 57.85 54.24 1t2m n ARG 79 Cb 0.46 -2.08 -0.02 0.00 -1.05 0.00 0.00 32.46 29.76 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1t2m s THR 80 N -2.55 2.10 0.02 8.89 -4.23 -1.19 -4.97 115.64 113.71 1t2m s THR 80 Ca 0.55 -1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1t2m s THR 80 Cb 0.37 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1t2m s THR 80 CO -0.20 0.00 0.03 -1.20 -0.54 0.00 0.00 174.62 172.71 1t2m n SER 81 N -1.61 0.02 -0.27 3.99 7.64 -1.26 -4.96 113.62 117.16 1t2m n SER 81 Ca 0.01 -1.02 0.07 0.00 1.01 0.00 0.00 58.87 58.94 1t2m n SER 81 Cb 0.63 -0.02 0.31 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.03 0.78 -3.92 6.43 0.02 -1.99 -3.41 113.55 111.43 1t2m h SER 82 Ca -0.01 0.02 -0.69 0.00 -0.84 0.00 0.00 61.79 60.27 1t2m h SER 82 Cb 0.03 -0.14 -0.23 0.00 0.14 0.00 0.00 62.40 62.20 1t2m h SER 82 CO 0.01 0.46 -0.76 -0.69 -1.14 0.00 0.00 176.83 174.72 1t2m s VAL 83 N -5.79 3.18 -0.11 2.27 1.01 -1.26 -2.05 120.40 117.64 1t2m s VAL 83 Ca -0.11 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1t2m s VAL 83 Cb 0.21 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1t2m s VAL 83 CO 0.79 0.59 -0.06 -0.69 0.00 0.00 0.00 175.10 175.73 1t2m s VAL 84 N -0.66 0.94 -0.69 2.92 1.01 0.27 -4.95 120.40 119.24 1t2m s VAL 84 Ca 0.10 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1t2m s VAL 84 Cb -0.11 -0.99 0.09 0.00 0.00 0.00 0.00 36.38 35.37 1t2m s VAL 84 CO 0.01 0.33 0.93 -0.89 0.00 0.00 0.00 175.10 175.48 1t2m s THR 85 N 1.74 4.51 -0.21 3.92 2.01 -1.26 -0.27 115.64 126.08 1t2m s THR 85 Ca 0.05 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1t2m s THR 85 Cb -0.13 -4.66 -0.04 0.00 0.01 0.00 0.00 72.50 67.69 1t2m s THR 85 CO -0.08 -1.39 0.09 -0.76 -0.69 0.00 0.00 174.62 171.79 1t2m s LEU 86 N 3.50 3.83 -0.73 4.42 1.02 -0.90 0.04 118.68 129.87 1t2m s LEU 86 Ca 0.21 0.04 -0.19 0.00 0.02 0.00 0.00 54.13 54.21 1t2m s LEU 86 Cb -0.17 -1.99 0.11 0.00 0.02 0.00 0.00 46.19 44.16 1t2m s LEU 86 CO 0.06 0.11 0.90 -0.70 0.02 0.00 0.00 176.35 176.74 1t2m s GLU 87 N 0.73 3.27 0.14 1.70 2.12 -0.39 -1.88 118.70 124.39 1t2m s GLU 87 Ca 0.05 -1.42 -0.09 0.00 0.36 0.00 0.00 54.97 53.87 1t2m s GLU 87 Cb -0.13 -4.46 -0.06 0.00 0.26 0.00 0.00 34.13 29.74 1t2m s GLU 87 CO 0.02 -1.66 0.45 0.54 -0.54 0.00 0.00 175.26 174.06 1t2m s VAL 88 N 2.83 5.05 -0.09 3.70 0.11 0.16 -2.40 120.40 129.76 1t2m s VAL 88 Ca 0.21 0.38 0.01 0.00 -2.93 0.00 0.00 61.98 59.66 1t2m s VAL 88 Cb -0.16 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 1t2m s VAL 88 CO 0.01 0.13 -0.13 0.00 -3.33 0.00 0.00 175.10 171.78 1t2m s ALA 89 N -1.58 2.67 -0.20 1.54 0.00 0.25 -1.22 121.76 123.22 1t2m s ALA 89 Ca 0.39 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 1t2m s ALA 89 Cb -0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1t2m s ALA 89 CO 0.21 0.40 0.28 0.15 0.00 0.00 0.00 175.76 176.80 1t2m s LYS 90 N -0.20 4.17 0.00 0.00 3.01 -0.51 -2.63 119.74 123.58 1t2m s LYS 90 Ca 0.01 -0.00 0.00 0.00 -1.01 0.00 0.00 55.97 54.96 1t2m s LYS 90 Cb -0.13 -3.50 0.00 0.00 -1.01 0.00 0.00 37.83 33.19 1t2m s LYS 90 CO 0.03 0.10 0.00 0.00 0.51 0.00 0.00 175.35 175.99 1t2m n GLN 91 N 4.09 0.00 0.00 1.68 0.00 -1.26 -3.79 117.38 118.10 1t2m n GLN 91 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.88 1t2m n GLN 91 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1t2m n GLY 92 N 0.00 1.93 0.48 2.61 0.00 -1.26 -4.99 105.19 103.96 1t2m n GLY 92 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32