#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 1.69 -3.86 0.03 5.02 -1.26 -4.98 118.16 114.81 1t2m n LYS 2 Ca 0.00 -3.22 -0.34 0.00 -2.02 0.00 0.00 58.31 52.73 1t2m n LYS 2 Cb 0.00 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 33.49 1t2m n LYS 2 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1t2m s GLU 3 N -2.64 1.94 1.20 1.97 0.41 -1.26 -5.10 118.70 115.22 1t2m s GLU 3 Ca 0.39 -2.05 -0.15 0.00 -0.41 0.00 0.00 54.97 52.75 1t2m s GLU 3 Cb 0.38 -3.47 0.26 0.00 -1.78 0.00 0.00 34.13 29.52 1t2m s GLU 3 CO -0.06 -1.06 0.75 -2.30 -0.49 0.00 0.00 175.26 172.10 1t2m n PRO 4 N 4.14 -2.58 -3.44 0.39 -0.02 -1.26 -4.97 135.00 127.26 1t2m n PRO 4 Ca 0.02 -0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 60.33 1t2m n PRO 4 Cb 0.40 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 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 -4.18 2.90 -0.18 -0.52 2.12 -0.71 -4.94 118.70 113.19 1t2m s GLU 5 Ca 0.65 -1.97 -0.29 0.00 0.36 0.00 0.00 54.97 53.72 1t2m s GLU 5 Cb -0.22 -4.15 -0.00 0.00 0.26 0.00 0.00 34.13 30.03 1t2m s GLU 5 CO 0.65 -1.26 1.06 0.42 -0.54 0.00 0.00 175.26 175.59 1t2m s ILE 6 N 1.05 4.65 -0.02 -3.70 -1.09 -1.26 -0.80 121.20 120.03 1t2m s ILE 6 Ca 0.08 1.97 -0.08 0.00 -2.23 0.00 0.00 60.65 60.39 1t2m s ILE 6 Cb -0.23 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.39 1t2m s ILE 6 CO -0.01 -0.11 0.17 0.27 -1.23 0.00 0.00 174.94 174.02 1t2m s ILE 7 N 2.83 0.05 -0.14 2.92 -4.36 0.09 -4.99 121.20 117.61 1t2m s ILE 7 Ca 0.47 -0.45 0.02 0.00 -0.26 0.00 0.00 60.65 60.43 1t2m s ILE 7 Cb -0.17 -0.40 0.01 0.00 1.25 0.00 0.00 42.46 43.15 1t2m s ILE 7 CO 0.11 -0.25 -0.20 0.28 0.24 0.00 0.00 174.94 175.12 1t2m s THR 8 N -0.90 1.93 0.07 8.37 -1.32 -1.26 0.36 115.64 122.89 1t2m s THR 8 Ca -0.10 -0.90 0.09 0.00 -1.21 0.00 0.00 61.69 59.57 1t2m s THR 8 Cb -0.05 -1.72 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 1t2m s THR 8 CO 0.01 0.53 -0.25 -0.69 -2.21 0.00 0.00 174.62 172.00 1t2m s VAL 9 N 0.89 2.08 -0.40 5.08 1.01 -1.06 -4.92 120.40 123.07 1t2m s VAL 9 Ca -0.06 -1.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.26 1t2m s VAL 9 Cb -0.15 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1t2m s VAL 9 CO -0.03 0.26 0.66 -0.89 0.00 0.00 0.00 175.10 175.11 1t2m s THR 10 N -0.88 4.83 0.15 3.92 2.01 -1.26 -2.48 115.64 121.94 1t2m s THR 10 Ca 0.11 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.57 1t2m s THR 10 Cb -0.10 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1t2m s THR 10 CO 0.03 -0.48 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.64 1t2m s LEU 11 N 2.83 3.07 0.24 4.42 1.43 -0.21 -4.95 118.68 125.50 1t2m s LEU 11 Ca 0.24 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 1t2m s LEU 11 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1t2m s LEU 11 CO 0.17 0.13 0.06 -0.54 0.23 0.00 0.00 176.35 176.41 1t2m s LYS 12 N -2.61 2.53 -0.17 1.70 -0.14 -1.25 -1.29 119.74 118.51 1t2m s LYS 12 Ca 0.24 -1.23 -0.09 0.00 -1.36 0.00 0.00 55.97 53.53 1t2m s LYS 12 Cb -0.10 -2.34 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 1t2m s LYS 12 CO 0.15 0.40 0.14 0.15 -0.76 0.00 0.00 175.35 175.43 1t2m s LYS 13 N -3.57 3.91 -0.05 1.68 1.02 -0.99 -4.81 119.74 116.94 1t2m s LYS 13 Ca 0.31 -0.18 -0.00 0.00 0.02 0.00 0.00 55.97 56.11 1t2m s LYS 13 Cb -0.08 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1t2m s LYS 13 CO 0.21 0.48 -0.05 0.00 -0.92 0.00 0.00 175.35 175.07 1t2m n GLN 14 N 2.95 0.12 -2.71 1.68 0.00 -1.26 -4.90 117.38 113.26 1t2m n GLN 14 Ca -0.17 0.03 -0.03 0.00 0.00 0.00 0.00 57.00 56.83 1t2m n GLN 14 Cb 0.53 -1.00 0.10 0.00 0.00 0.00 0.00 30.24 29.87 1t2m n GLN 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1t2m n ASN 15 N -2.78 -0.67 0.00 2.61 0.23 -1.26 -5.14 115.26 108.25 1t2m n ASN 15 Ca -0.09 -2.26 0.00 0.00 -0.53 0.00 0.00 54.58 51.70 1t2m n ASN 15 Cb 0.59 0.40 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t2m n GLY 16 N -1.06 0.40 0.90 4.83 0.00 -1.26 -4.94 105.19 104.06 1t2m n GLY 16 Ca -0.08 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 1t2m n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1t2m n MET 17 N 0.00 0.08 -3.08 1.61 1.56 -1.26 -4.76 117.12 111.27 1t2m n MET 17 Ca 0.00 0.03 -0.13 0.00 -0.27 0.00 0.00 57.70 57.33 1t2m n MET 17 Cb 0.00 -0.64 0.07 0.00 2.15 0.00 0.00 33.22 34.80 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1t2m n GLY 18 N 3.13 -0.39 2.77 -5.12 0.00 -1.26 -4.04 105.19 100.28 1t2m n GLY 18 Ca -0.03 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.35 -0.00 -0.19 0.99 1.43 -1.26 -1.63 118.68 112.67 1t2m s LEU 19 Ca 0.12 0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 1t2m s LEU 19 Cb -0.02 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1t2m s LEU 19 CO 0.59 -0.28 0.36 -0.55 0.23 0.00 0.00 176.35 176.71 1t2m s SER 20 N 2.26 6.43 0.49 2.29 0.15 -0.59 -5.01 113.70 119.73 1t2m s SER 20 Ca 0.04 0.50 0.04 0.00 0.70 0.00 0.00 55.95 57.23 1t2m s SER 20 Cb -0.13 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 1t2m s SER 20 CO -0.07 -0.02 0.17 0.27 1.20 0.00 0.00 173.24 174.78 1t2m s ILE 21 N 1.07 1.62 -0.18 6.45 -4.36 -1.26 -0.06 121.20 124.47 1t2m s ILE 21 Ca 0.18 -1.78 -0.15 0.00 -0.26 0.00 0.00 60.65 58.64 1t2m s ILE 21 Cb -0.14 -2.40 0.05 0.00 1.25 0.00 0.00 42.46 41.22 1t2m s ILE 21 CO 0.07 0.00 0.48 0.54 0.24 0.00 0.00 174.94 176.26 1t2m s VAL 22 N -2.77 -0.01 -0.56 8.37 0.11 0.39 -4.59 120.40 121.34 1t2m s VAL 22 Ca 0.24 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.13 1t2m s VAL 22 Cb 0.02 -0.67 0.10 0.00 -1.53 0.00 0.00 36.38 34.29 1t2m s VAL 22 CO 0.14 0.01 0.63 0.00 -3.33 0.00 0.00 175.10 172.55 1t2m s ALA 23 N 0.58 3.47 0.38 1.54 0.00 -1.26 -0.09 121.76 126.38 1t2m s ALA 23 Ca -0.03 -2.20 0.05 0.00 0.00 0.00 0.00 51.96 49.78 1t2m s ALA 23 Cb -0.05 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1t2m s ALA 23 CO -0.03 -2.18 0.20 0.00 0.00 0.00 0.00 175.76 173.74 1t2m n ALA 24 N 6.01 0.63 -2.45 0.00 0.00 -0.76 -4.85 120.51 119.09 1t2m n ALA 24 Ca -0.10 -2.04 -0.25 0.00 0.00 0.00 0.00 53.44 51.05 1t2m n ALA 24 Cb 0.42 1.47 -0.07 0.00 0.00 0.00 0.00 19.45 21.27 1t2m n ALA 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1t2m s LYS 25 N -3.49 2.22 0.00 0.00 2.20 -1.26 -1.71 119.74 117.69 1t2m s LYS 25 Ca 0.28 -1.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 1t2m s LYS 25 Cb 0.01 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1t2m s LYS 25 CO 0.20 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 1t2m n GLY 26 N -1.20 3.47 3.90 5.54 0.00 -1.26 -5.02 105.19 110.62 1t2m n GLY 26 Ca -0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.00 3.81 -1.72 4.61 0.00 -1.26 -4.28 121.76 121.91 1t2m s ALA 27 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1t2m s ALA 27 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1t2m s ALA 27 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1t2m n GLY 28 N -0.89 0.82 2.87 0.00 0.00 -1.26 -4.92 105.19 101.81 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 -4.10 1.18 -0.01 1.61 2.00 -1.26 -4.97 119.66 114.12 1t2m s GLN 29 Ca 0.00 -1.15 0.07 0.00 -2.00 0.00 0.00 55.36 52.28 1t2m s GLN 29 Cb 0.00 -2.46 0.23 0.00 0.80 0.00 0.00 33.01 31.57 1t2m s GLN 29 CO 0.00 -0.81 1.15 -3.47 -0.50 0.00 0.00 175.29 171.66 1t2m n ASP 30 N 4.68 1.48 -0.73 6.67 2.03 -1.26 -4.70 116.55 124.72 1t2m n ASP 30 Ca -0.05 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.22 1t2m n ASP 30 Cb 0.43 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.23 0.00 -3.67 -0.67 4.76 -1.26 -5.07 118.16 112.48 1t2m n LYS 31 Ca 0.08 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.15 1t2m n LYS 31 Cb 0.25 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.32 1t2m n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1t2m s LEU 32 N 0.00 3.79 0.55 -0.35 2.96 -1.26 -4.75 118.68 119.62 1t2m s LEU 32 Ca 0.00 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1t2m s LEU 32 Cb 0.00 -2.02 0.07 0.00 0.50 0.00 0.00 46.19 44.74 1t2m s LEU 32 CO 0.00 -0.07 0.67 -0.83 -1.32 0.00 0.00 176.35 174.80 1t2m s GLY 33 N 1.67 1.91 0.09 7.98 0.00 -0.70 -0.90 107.32 117.38 1t2m s GLY 33 Ca 0.06 -1.90 0.02 0.00 0.00 0.00 0.00 44.72 42.91 1t2m s GLY 33 CO 0.07 -1.74 0.13 -0.42 0.00 0.00 0.00 173.10 171.14 1t2m s ILE 34 N -2.67 4.79 0.03 0.90 -1.09 -1.01 -1.83 121.20 120.33 1t2m s ILE 34 Ca 0.54 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1t2m s ILE 34 Cb -0.05 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.46 1t2m s ILE 34 CO 0.34 0.09 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.77 1t2m s TYR 35 N -1.49 0.48 -0.86 3.97 1.51 0.87 1.00 117.35 122.83 1t2m s TYR 35 Ca 0.31 -0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 55.60 1t2m s TYR 35 Cb -0.12 -0.30 0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1t2m s TYR 35 CO 0.24 -0.14 1.33 0.08 -1.11 0.00 0.00 175.55 175.95 1t2m s VAL 36 N -1.48 3.87 0.20 0.71 1.01 0.10 -0.46 120.40 124.35 1t2m s VAL 36 Ca -0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1t2m s VAL 36 Cb -0.10 -4.96 0.14 0.00 0.00 0.00 0.00 36.38 31.46 1t2m s VAL 36 CO -0.00 -1.86 1.83 0.50 0.00 0.00 0.00 175.10 175.57 1t2m h LYS 37 N 9.87 1.00 -1.47 2.72 3.11 -0.73 0.46 116.57 131.54 1t2m h LYS 37 Ca -0.06 -0.10 0.30 0.00 -2.81 0.00 0.00 60.65 57.98 1t2m h LYS 37 Cb 1.03 -0.21 -0.14 0.00 -1.00 0.00 0.00 32.23 31.91 1t2m h LYS 37 CO 1.33 0.73 0.82 0.45 -2.81 0.00 0.00 179.45 179.97 1t2m s SER 38 N -6.00 -0.09 -0.03 4.20 0.15 -0.82 -4.11 113.70 107.02 1t2m s SER 38 Ca -0.13 -0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.48 1t2m s SER 38 Cb 0.15 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1t2m s SER 38 CO 0.79 -0.28 -0.17 -0.69 1.20 0.00 0.00 173.24 174.09 1t2m s VAL 39 N -2.43 1.35 -0.24 4.45 1.01 -1.26 -1.54 120.40 121.74 1t2m s VAL 39 Ca 0.12 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1t2m s VAL 39 Cb 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1t2m s VAL 39 CO -0.04 0.39 0.94 -0.69 0.00 0.00 0.00 175.10 175.69 1t2m s VAL 40 N -0.19 4.75 -0.27 2.92 1.01 -0.65 -4.98 120.40 123.00 1t2m s VAL 40 Ca 0.02 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 1t2m s VAL 40 Cb -0.09 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1t2m s VAL 40 CO 0.01 -0.13 2.03 -0.54 0.00 0.00 0.00 175.10 176.47 1t2m s LYS 41 N 3.03 3.22 0.00 2.72 -0.14 -1.26 -2.03 119.74 125.28 1t2m s LYS 41 Ca 0.39 1.77 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 1t2m s LYS 41 Cb -0.15 -4.30 0.00 0.00 -1.68 0.00 0.00 37.83 31.70 1t2m s LYS 41 CO 0.07 -1.99 0.00 0.41 -0.76 0.00 0.00 175.35 173.07 1t2m n GLY 42 N 5.61 1.12 0.00 -3.33 0.00 -1.26 -5.10 105.19 102.23 1t2m n GLY 42 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.09 0.68 0.07 -0.02 0.00 -0.86 -4.92 105.19 100.05 1t2m n GLY 43 Ca 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 0.70 0.03 4.61 0.00 -1.26 -4.23 120.51 117.36 1t2m n ALA 44 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 53.44 52.76 1t2m n ALA 44 Cb 0.00 0.02 0.35 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.21 1.49 -0.96 0.00 0.00 -1.88 -2.58 119.26 114.12 1t2m h ALA 45 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1t2m h ALA 45 Cb 0.78 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1t2m h ALA 45 CO 0.00 0.37 0.59 0.22 0.00 0.00 0.00 179.25 180.43 1t2m h ASP 46 N 0.45 1.14 -0.55 0.00 1.82 -1.82 -2.65 116.42 114.81 1t2m h ASP 46 Ca 0.10 -0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1t2m h ASP 46 Cb 0.24 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1t2m h ASP 46 CO 0.00 0.86 -0.11 0.58 -1.61 0.00 0.00 179.24 178.96 1t2m h VAL 47 N 1.32 1.27 0.49 2.25 2.07 -1.64 -3.25 116.25 118.76 1t2m h VAL 47 Ca 0.35 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1t2m h VAL 47 Cb -0.08 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1t2m h VAL 47 CO -0.07 0.45 -0.27 -0.78 0.02 0.00 0.00 177.57 176.93 1t2m h ASP 48 N 0.93 -0.65 0.00 0.57 1.82 -1.35 -3.47 116.42 114.26 1t2m h ASP 48 Ca 0.14 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1t2m h ASP 48 Cb 0.69 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1t2m h ASP 48 CO 0.05 -0.44 0.00 0.61 -1.61 0.00 0.00 179.24 177.85 1t2m n GLY 49 N -1.41 0.77 0.10 -0.78 0.00 -1.03 -4.98 105.19 97.86 1t2m n GLY 49 Ca -0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1t2m n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t2m h ARG 50 N 0.14 0.17 -5.68 1.61 3.08 -1.91 -3.47 114.38 108.32 1t2m h ARG 50 Ca 0.00 -0.29 -0.53 0.00 0.07 0.00 0.00 59.98 59.23 1t2m h ARG 50 Cb 0.00 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.02 1t2m h ARG 50 CO 0.00 1.04 -0.69 -0.48 -1.07 0.00 0.00 179.97 178.77 1t2m s LEU 51 N -6.86 2.56 0.29 3.04 0.05 -1.26 -5.02 118.68 111.49 1t2m s LEU 51 Ca -0.05 -1.15 -0.00 0.00 0.05 0.00 0.00 54.13 52.97 1t2m s LEU 51 Cb 0.08 -0.77 -0.02 0.00 -2.05 0.00 0.00 46.19 43.43 1t2m s LEU 51 CO 0.85 -0.25 0.33 0.00 -0.55 0.00 0.00 176.35 176.73 1t2m s ALA 52 N -2.87 1.07 0.47 1.48 0.00 -1.26 -4.89 121.76 115.76 1t2m s ALA 52 Ca 0.29 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.37 1t2m s ALA 52 Cb 0.02 1.30 -0.07 0.00 0.00 0.00 0.00 23.12 24.37 1t2m s ALA 52 CO 0.13 -0.71 1.28 0.00 0.00 0.00 0.00 175.76 176.45 1t2m s ALA 53 N -3.55 3.02 -0.08 0.00 0.00 -1.26 -3.79 121.76 116.09 1t2m s ALA 53 Ca 0.35 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.48 1t2m s ALA 53 Cb 0.02 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1t2m s ALA 53 CO 0.19 -0.96 0.07 0.41 0.00 0.00 0.00 175.76 175.47 1t2m n GLY 54 N 0.61 0.53 2.63 0.00 0.00 0.16 -4.98 105.19 104.13 1t2m n GLY 54 Ca 0.07 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1t2m n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t2m n ASP 55 N -0.45 2.80 -4.45 1.61 9.92 -1.08 -4.66 116.55 120.25 1t2m n ASP 55 Ca -0.01 -2.62 -0.27 0.00 -0.53 0.00 0.00 54.79 51.36 1t2m n ASP 55 Cb 0.51 0.32 -0.11 0.00 -0.64 0.00 0.00 41.12 41.19 1t2m n ASP 55 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1t2m s GLN 56 N -3.31 1.62 -0.01 -1.24 -0.44 -1.05 0.03 119.66 115.24 1t2m s GLN 56 Ca 0.02 -1.45 0.01 0.00 -2.50 0.00 0.00 55.36 51.43 1t2m s GLN 56 Cb 0.00 -1.92 0.01 0.00 -1.64 0.00 0.00 33.01 29.46 1t2m s GLN 56 CO 0.01 0.41 -0.02 -1.17 0.50 0.00 0.00 175.29 175.03 1t2m s LEU 57 N -2.63 1.66 -0.02 3.68 0.20 0.28 0.52 118.68 122.36 1t2m s LEU 57 Ca 0.21 -0.04 -0.07 0.00 0.69 0.00 0.00 54.13 54.92 1t2m s LEU 57 Cb -0.08 -0.18 -0.03 0.00 -0.43 0.00 0.00 46.19 45.47 1t2m s LEU 57 CO 0.11 -0.02 -0.14 0.18 -0.29 0.00 0.00 176.35 176.19 1t2m n LEU 58 N 3.48 1.38 -4.54 -0.68 4.32 -0.85 -2.40 117.00 117.71 1t2m n LEU 58 Ca -0.19 0.21 -0.25 0.00 -0.02 0.00 0.00 56.01 55.76 1t2m n LEU 58 Cb 0.55 -0.48 -0.09 0.00 -1.62 0.00 0.00 43.42 41.78 1t2m n LEU 58 CO 0.24 -0.49 -0.42 -0.94 -1.22 0.00 0.00 177.39 174.56 1t2m s SER 59 N -5.97 4.00 -0.05 -1.43 1.04 -1.26 -2.34 113.70 107.70 1t2m s SER 59 Ca -0.12 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 1t2m s SER 59 Cb 0.02 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.62 1t2m s SER 59 CO 0.17 0.05 0.07 -0.69 0.98 0.00 0.00 173.24 173.82 1t2m s VAL 60 N -2.17 -0.11 -1.55 5.02 1.01 -0.35 -2.20 120.40 120.05 1t2m s VAL 60 Ca 0.28 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1t2m s VAL 60 Cb -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1t2m s VAL 60 CO 0.16 0.15 0.60 -0.67 0.00 0.00 0.00 175.10 175.34 1t2m n ASP 61 N 5.30 -6.12 0.00 3.32 2.03 0.82 -1.43 116.55 120.47 1t2m n ASP 61 Ca -0.03 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 54.99 1t2m n ASP 61 Cb 0.50 -4.93 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 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 -1.52 1.94 3.87 0.27 0.00 -1.26 -4.86 105.19 103.64 1t2m n GLY 62 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.12 3.79 0.07 1.61 0.52 -0.52 -5.08 118.95 119.22 1t2m s ARG 63 Ca 0.00 0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 55.24 1t2m s ARG 63 Cb 0.00 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.65 1t2m s ARG 63 CO 0.00 0.39 0.58 -1.12 0.02 0.00 0.00 175.30 175.17 1t2m s SER 64 N -2.23 7.07 -0.46 0.23 0.01 -1.26 -1.21 113.70 115.85 1t2m s SER 64 Ca 0.43 1.27 0.04 0.00 1.31 0.00 0.00 55.95 59.01 1t2m s SER 64 Cb -0.12 -2.36 0.17 0.00 0.21 0.00 0.00 66.02 63.92 1t2m s SER 64 CO 0.21 0.27 0.38 0.18 0.41 0.00 0.00 173.24 174.69 1t2m n LEU 65 N 1.75 0.18 -3.73 2.44 4.32 -0.99 -4.94 117.00 116.03 1t2m n LEU 65 Ca -0.10 -4.54 -0.30 0.00 -0.02 0.00 0.00 56.01 51.05 1t2m n LEU 65 Cb 0.51 0.32 -0.14 0.00 -1.62 0.00 0.00 43.42 42.49 1t2m n LEU 65 CO 0.41 1.86 -0.29 -0.69 -1.22 0.00 0.00 177.39 177.46 1t2m s VAL 66 N -0.29 1.17 0.00 4.08 1.01 -1.26 -4.50 120.40 120.60 1t2m s VAL 66 Ca 0.32 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1t2m s VAL 66 Cb 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1t2m s VAL 66 CO -0.19 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.75 1t2m n GLY 67 N 4.23 1.19 3.71 4.51 0.00 -0.08 -4.76 105.19 113.98 1t2m n GLY 67 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.46 0.00 0.99 1.43 -1.26 -4.54 118.68 116.77 1t2m s LEU 68 Ca 0.00 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1t2m s LEU 68 Cb 0.00 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1t2m s LEU 68 CO 0.00 -3.47 0.36 -1.20 0.23 0.00 0.00 176.35 172.27 1t2m n SER 69 N -4.32 2.47 -0.09 2.29 7.64 -1.26 -4.75 113.62 115.59 1t2m n SER 69 Ca 0.12 -2.60 0.05 0.00 1.01 0.00 0.00 58.87 57.45 1t2m n SER 69 Cb 0.59 -0.05 0.39 0.00 -1.01 0.00 0.00 64.21 64.13 1t2m n SER 69 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1t2m h GLN 70 N 0.00 0.64 0.75 1.43 4.15 -1.93 -0.74 115.11 119.41 1t2m h GLN 70 Ca -0.29 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.06 1t2m h GLN 70 Cb 1.08 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 1t2m h GLN 70 CO 0.46 0.43 -0.45 0.93 -1.93 0.00 0.00 178.83 178.26 1t2m h GLU 71 N 0.66 -1.09 -0.47 1.69 3.07 -1.98 0.41 114.58 116.87 1t2m h GLU 71 Ca 0.22 0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 1t2m h GLU 71 Cb 0.07 0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1t2m h GLU 71 CO -0.06 -0.72 0.25 0.00 -1.40 0.00 0.00 179.01 177.07 1t2m h ARG 72 N -1.13 0.66 0.42 2.33 2.47 -1.92 0.75 114.38 117.97 1t2m h ARG 72 Ca -0.10 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 1t2m h ARG 72 Cb 0.90 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1t2m h ARG 72 CO 0.10 0.54 -0.25 0.00 0.56 0.00 0.00 179.97 180.92 1t2m h ALA 73 N 1.09 -0.64 -0.19 0.04 0.00 -1.04 0.15 119.26 118.67 1t2m h ALA 73 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1t2m h ALA 73 Cb 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1t2m h ALA 73 CO -0.02 -0.87 0.11 0.00 0.00 0.00 0.00 179.25 178.46 1t2m h ALA 74 N -0.09 0.23 -0.89 0.00 0.00 -0.12 0.36 119.26 118.75 1t2m h ALA 74 Ca -0.05 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1t2m h ALA 74 Cb 0.52 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1t2m h ALA 74 CO 0.05 -0.31 0.58 1.49 0.00 0.00 0.00 179.25 181.07 1t2m h GLU 75 N 0.23 1.08 0.01 0.00 4.57 -0.74 0.61 114.58 120.33 1t2m h GLU 75 Ca 0.08 -0.06 -0.23 0.00 -1.18 0.00 0.00 59.36 57.96 1t2m h GLU 75 Cb -0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 1t2m h GLU 75 CO -0.04 0.71 -0.96 -0.07 -1.18 0.00 0.00 179.01 177.48 1t2m h LEU 76 N 1.11 0.54 -0.15 1.64 3.38 -0.24 -2.74 115.31 118.85 1t2m h LEU 76 Ca 0.35 -0.44 -0.23 0.00 0.09 0.00 0.00 57.88 57.66 1t2m h LEU 76 Cb 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1t2m h LEU 76 CO -0.11 1.24 -0.97 0.24 0.09 0.00 0.00 178.44 178.94 1t2m h MET 77 N 0.23 0.36 -0.27 1.13 2.86 0.31 -3.30 114.93 116.24 1t2m h MET 77 Ca -0.08 -0.41 -0.18 0.00 -2.06 0.00 0.00 59.70 56.97 1t2m h MET 77 Cb 1.60 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.38 1t2m h MET 77 CO 0.17 1.09 -0.53 0.00 1.06 0.00 0.00 176.91 178.70 1t2m h THR 78 N 0.19 1.28 -1.55 2.22 1.03 0.13 -3.29 112.91 112.93 1t2m h THR 78 Ca -0.08 -1.73 -0.77 0.00 -0.01 0.00 0.00 66.41 63.82 1t2m h THR 78 Cb 1.61 1.64 -0.18 0.00 -1.07 0.00 0.00 68.15 70.15 1t2m h THR 78 CO 0.16 0.56 1.92 0.54 -0.01 0.00 0.00 175.52 178.69 1t2m n ARG 79 N -4.00 4.90 -4.38 0.00 1.74 -1.03 -4.95 116.66 108.94 1t2m n ARG 79 Ca -0.04 -3.90 -0.26 0.00 -0.77 0.00 0.00 57.85 52.88 1t2m n ARG 79 Cb 0.62 -2.57 -0.09 0.00 -1.02 0.00 0.00 32.46 29.39 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 -2.31 2.19 0.00 0.55 -4.23 -1.24 -4.92 115.64 105.67 1t2m s THR 80 Ca 0.49 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1t2m s THR 80 Cb 0.19 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1t2m s THR 80 CO -0.11 -0.02 0.00 -1.20 -0.54 0.00 0.00 174.62 172.75 1t2m n SER 81 N -1.08 -0.73 -0.06 3.99 7.64 -1.26 -5.01 113.62 117.10 1t2m n SER 81 Ca -0.03 -0.55 -0.11 0.00 1.01 0.00 0.00 58.87 59.19 1t2m n SER 81 Cb 0.65 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.76 1t2m n SER 81 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1t2m h SER 82 N -0.73 -0.00 -1.70 6.43 4.64 -1.95 -3.39 113.55 116.84 1t2m h SER 82 Ca 0.00 -0.74 -0.75 0.00 -0.47 0.00 0.00 61.79 59.83 1t2m h SER 82 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 1t2m h SER 82 CO 0.00 0.87 1.75 0.55 -0.87 0.00 0.00 176.83 179.13 1t2m n VAL 83 N -4.66 4.30 -3.32 0.95 3.14 -1.25 -2.34 118.33 115.15 1t2m n VAL 83 Ca -0.08 -4.53 -0.33 0.00 -2.96 0.00 0.00 64.34 56.44 1t2m n VAL 83 Cb 0.36 -2.40 -0.06 0.00 -1.06 0.00 0.00 33.84 30.68 1t2m n VAL 83 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1t2m s VAL 84 N 0.95 4.83 -0.26 1.55 1.01 -0.42 -4.81 120.40 123.26 1t2m s VAL 84 Ca 0.41 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 1t2m s VAL 84 Cb 0.04 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1t2m s VAL 84 CO 0.00 -0.00 0.01 0.42 0.00 0.00 0.00 175.10 175.53 1t2m s THR 85 N -1.75 3.60 -0.20 3.92 -4.23 -1.26 -1.05 115.64 114.66 1t2m s THR 85 Ca 0.46 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1t2m s THR 85 Cb -0.12 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1t2m s THR 85 CO 0.20 0.24 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.70 1t2m s LEU 86 N 1.47 2.92 -1.14 4.79 2.01 -1.03 -0.12 118.68 127.57 1t2m s LEU 86 Ca 0.03 -0.35 -0.16 0.00 0.01 0.00 0.00 54.13 53.66 1t2m s LEU 86 Cb -0.16 -1.73 0.14 0.00 0.01 0.00 0.00 46.19 44.45 1t2m s LEU 86 CO -0.01 0.02 1.40 -0.70 1.01 0.00 0.00 176.35 178.08 1t2m s GLU 87 N 1.23 3.93 0.18 1.70 2.12 -0.93 -2.56 118.70 124.37 1t2m s GLU 87 Ca 0.03 -2.21 -0.15 0.00 0.36 0.00 0.00 54.97 53.00 1t2m s GLU 87 Cb -0.14 -5.11 -0.07 0.00 0.26 0.00 0.00 34.13 29.06 1t2m s GLU 87 CO -0.01 -1.87 0.59 0.08 -0.54 0.00 0.00 175.26 173.51 1t2m s VAL 88 N 2.44 4.81 -0.26 3.70 1.01 0.16 -2.00 120.40 130.25 1t2m s VAL 88 Ca 0.42 0.86 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 1t2m s VAL 88 Cb -0.02 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1t2m s VAL 88 CO -0.02 0.17 0.02 0.00 0.00 0.00 0.00 175.10 175.27 1t2m s ALA 89 N -1.56 2.95 -0.19 5.51 0.00 0.18 -0.73 121.76 127.93 1t2m s ALA 89 Ca 0.41 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 1t2m s ALA 89 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1t2m s ALA 89 CO 0.20 -0.70 0.87 0.15 0.00 0.00 0.00 175.76 176.27 1t2m s LYS 90 N 1.48 4.28 0.00 0.00 1.02 0.02 -2.54 119.74 124.00 1t2m s LYS 90 Ca 0.04 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.09 1t2m s LYS 90 Cb -0.16 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1t2m s LYS 90 CO -0.00 -0.40 0.00 0.00 -0.92 0.00 0.00 175.35 174.03 1t2m n GLN 91 N 5.49 0.00 0.00 1.68 0.00 -1.26 -1.74 117.38 121.54 1t2m n GLN 91 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.06 1t2m n GLN 91 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 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 0.40 0.00 2.61 0.00 -1.26 -5.00 105.19 101.95 1t2m n GLY 92 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32