#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 3.02 -2.25 0.03 4.81 -1.26 -4.98 118.16 117.53 1t2m n LYS 2 Ca 0.00 -2.62 -0.37 0.00 -0.87 0.00 0.00 58.31 54.45 1t2m n LYS 2 Cb 0.00 -2.28 -0.01 0.00 0.02 0.00 0.00 35.03 32.76 1t2m n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1t2m s GLU 3 N -1.45 3.74 1.18 1.64 2.02 -1.26 -5.01 118.70 119.57 1t2m s GLU 3 Ca 0.58 1.78 -0.14 0.00 0.02 0.00 0.00 54.97 57.20 1t2m s GLU 3 Cb 0.32 -2.40 0.26 0.00 0.10 0.00 0.00 34.13 32.41 1t2m s GLU 3 CO -0.18 -0.56 0.77 -2.30 0.02 0.00 0.00 175.26 173.01 1t2m n PRO 4 N -0.51 -2.40 -2.56 0.39 -0.02 -1.26 -4.86 135.00 123.78 1t2m n PRO 4 Ca 0.07 -0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 60.46 1t2m n PRO 4 Cb 0.48 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.16 3.79 -0.01 -0.52 2.12 -1.23 -4.94 118.70 113.74 1t2m s GLU 5 Ca 0.66 -1.58 -0.22 0.00 0.36 0.00 0.00 54.97 54.19 1t2m s GLU 5 Cb -0.22 -5.45 -0.05 0.00 0.26 0.00 0.00 34.13 28.66 1t2m s GLU 5 CO 0.66 -2.26 0.63 0.42 -0.54 0.00 0.00 175.26 174.17 1t2m s ILE 6 N 4.66 4.92 -0.09 -3.70 1.09 -1.26 0.15 121.20 126.96 1t2m s ILE 6 Ca 0.51 1.32 -0.07 0.00 -1.10 0.00 0.00 60.65 61.31 1t2m s ILE 6 Cb 0.02 -3.97 0.03 0.00 -1.06 0.00 0.00 42.46 37.47 1t2m s ILE 6 CO -0.00 0.38 0.23 0.27 -0.10 0.00 0.00 174.94 175.71 1t2m s ILE 7 N 0.04 -0.01 -0.26 2.92 -5.25 -0.79 -4.98 121.20 112.87 1t2m s ILE 7 Ca 0.33 0.03 -0.08 0.00 -0.99 0.00 0.00 60.65 59.93 1t2m s ILE 7 Cb -0.18 -0.33 -0.04 0.00 2.95 0.00 0.00 42.46 44.86 1t2m s ILE 7 CO 0.18 0.01 0.11 -0.89 -1.79 0.00 0.00 174.94 172.56 1t2m s THR 8 N 0.33 4.62 0.42 8.37 2.01 -1.26 -1.12 115.64 129.01 1t2m s THR 8 Ca -0.02 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1t2m s THR 8 Cb -0.03 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.23 1t2m s THR 8 CO -0.01 0.31 0.05 0.68 -0.69 0.00 0.00 174.62 174.96 1t2m s VAL 9 N 1.66 1.99 -0.12 3.82 -7.23 -0.14 -4.97 120.40 115.42 1t2m s VAL 9 Ca 0.07 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1t2m s VAL 9 Cb -0.15 -2.93 0.04 0.00 0.56 0.00 0.00 36.38 33.90 1t2m s VAL 9 CO 0.06 0.00 0.00 -0.89 -0.31 0.00 0.00 175.10 173.96 1t2m s THR 10 N -2.70 0.54 0.29 5.32 2.01 -1.26 -1.55 115.64 118.28 1t2m s THR 10 Ca 0.34 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.20 1t2m s THR 10 Cb 0.08 -0.80 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 1t2m s THR 10 CO 0.18 0.11 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.42 1t2m s LEU 11 N 1.89 2.44 -0.11 4.42 1.02 -0.87 -4.94 118.68 122.52 1t2m s LEU 11 Ca 0.03 -1.23 -0.03 0.00 0.02 0.00 0.00 54.13 52.92 1t2m s LEU 11 Cb -0.14 -0.59 -0.03 0.00 0.02 0.00 0.00 46.19 45.45 1t2m s LEU 11 CO -0.07 -0.40 -0.02 -0.54 0.02 0.00 0.00 176.35 175.35 1t2m s LYS 12 N -3.76 3.27 0.10 1.70 3.01 -1.26 -0.49 119.74 122.30 1t2m s LYS 12 Ca 0.31 -0.46 -0.31 0.00 -1.01 0.00 0.00 55.97 54.50 1t2m s LYS 12 Cb 0.05 -2.84 -0.09 0.00 -1.01 0.00 0.00 37.83 33.94 1t2m s LYS 12 CO 0.13 0.50 1.75 0.21 0.51 0.00 0.00 175.35 178.45 1t2m s LYS 13 N -0.34 4.16 -1.00 1.68 2.20 0.91 -4.92 119.74 122.44 1t2m s LYS 13 Ca 0.06 2.48 -0.02 0.00 -0.36 0.00 0.00 55.97 58.13 1t2m s LYS 13 Cb -0.12 -3.61 0.31 0.00 -1.51 0.00 0.00 37.83 32.90 1t2m s LYS 13 CO 0.02 -0.80 1.52 0.94 -0.36 0.00 0.00 175.35 176.67 1t2m n GLN 14 N 5.68 4.61 -3.54 4.03 -0.06 -1.26 -4.74 117.38 122.10 1t2m n GLN 14 Ca 0.17 -4.62 -0.25 0.00 -2.00 0.00 0.00 57.00 50.29 1t2m n GLN 14 Cb 0.39 -2.46 0.05 0.00 -4.06 0.00 0.00 30.24 24.16 1t2m n GLN 14 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1t2m n ASN 15 N 0.72 -5.65 0.00 1.69 2.85 -1.26 -4.74 115.26 108.88 1t2m n ASN 15 Ca 0.34 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1t2m n ASN 15 Cb 0.32 -4.50 0.00 0.00 1.24 0.00 0.00 39.78 36.84 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t2m n GLY 16 N -1.73 0.53 1.40 8.20 0.00 -1.26 -5.08 105.19 107.25 1t2m n GLY 16 Ca -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.00 -1.90 1.61 2.81 -1.26 -4.83 117.12 113.54 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 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 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 0.32 0.05 2.89 3.03 0.00 -1.26 -4.55 105.19 105.67 1t2m n GLY 18 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.15 0.19 -0.14 0.99 1.02 -1.26 -0.69 118.68 115.63 1t2m s LEU 19 Ca 0.07 0.35 -0.25 0.00 0.02 0.00 0.00 54.13 54.32 1t2m s LEU 19 Cb -0.01 0.36 -0.02 0.00 0.02 0.00 0.00 46.19 46.54 1t2m s LEU 19 CO 0.18 -0.21 0.79 -0.44 0.02 0.00 0.00 176.35 176.69 1t2m s SER 20 N 1.88 6.96 0.35 2.29 0.01 0.06 -4.99 113.70 120.26 1t2m s SER 20 Ca -0.02 1.17 0.04 0.00 1.31 0.00 0.00 55.95 58.45 1t2m s SER 20 Cb -0.12 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1t2m s SER 20 CO -0.06 -0.32 0.07 0.27 0.41 0.00 0.00 173.24 173.61 1t2m s ILE 21 N 1.78 1.12 -0.27 1.44 -4.36 -1.26 0.39 121.20 120.04 1t2m s ILE 21 Ca 0.38 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.54 1t2m s ILE 21 Cb -0.17 -2.71 0.07 0.00 1.25 0.00 0.00 42.46 40.90 1t2m s ILE 21 CO 0.14 0.00 0.70 0.54 0.24 0.00 0.00 174.94 176.56 1t2m s VAL 22 N -3.25 -0.00 -0.63 8.37 0.11 0.18 -4.76 120.40 120.42 1t2m s VAL 22 Ca 0.34 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 1t2m s VAL 22 Cb 0.08 -0.98 0.15 0.00 -1.53 0.00 0.00 36.38 34.10 1t2m s VAL 22 CO 0.15 0.00 0.60 0.00 -3.33 0.00 0.00 175.10 172.52 1t2m s ALA 23 N 0.56 3.73 0.41 1.54 0.00 -1.26 0.62 121.76 127.36 1t2m s ALA 23 Ca -0.01 -2.71 0.04 0.00 0.00 0.00 0.00 51.96 49.28 1t2m s ALA 23 Cb -0.05 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1t2m s ALA 23 CO -0.02 -2.14 0.16 0.00 0.00 0.00 0.00 175.76 173.75 1t2m n ALA 24 N 5.07 0.60 -4.76 0.00 0.00 -1.19 -4.80 120.51 115.43 1t2m n ALA 24 Ca -0.06 -2.12 -0.34 0.00 0.00 0.00 0.00 53.44 50.93 1t2m n ALA 24 Cb 0.42 1.44 -0.07 0.00 0.00 0.00 0.00 19.45 21.25 1t2m n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1t2m n LYS 25 N -0.92 0.73 0.00 0.00 4.81 -1.26 -2.49 118.16 119.03 1t2m n LYS 25 Ca -0.05 -3.82 0.00 0.00 -0.87 0.00 0.00 58.31 53.57 1t2m n LYS 25 Cb 0.63 1.00 0.00 0.00 0.02 0.00 0.00 35.03 36.68 1t2m n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t2m n GLY 26 N -1.28 3.30 3.71 3.14 0.00 -1.26 -5.05 105.19 107.75 1t2m n GLY 26 Ca -0.21 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 3.39 -2.13 4.61 0.00 -1.26 -4.54 121.76 120.83 1t2m s ALA 27 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1t2m s ALA 27 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1t2m s ALA 27 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1t2m n GLY 28 N -1.07 1.72 0.00 0.00 0.00 -1.26 -4.92 105.19 99.66 1t2m n GLY 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.41 2.47 -0.23 1.61 -0.06 -1.26 -5.09 117.38 112.41 1t2m n GLN 29 Ca -0.21 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 54.79 1t2m n GLN 29 Cb 0.67 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.85 1t2m n GLN 29 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1t2m n ASP 30 N -0.65 -0.04 -0.89 1.69 -0.08 -1.26 -5.05 116.55 110.27 1t2m n ASP 30 Ca 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1t2m n ASP 30 Cb 0.00 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1t2m n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t2m n LYS 31 N 0.00 0.00 -3.92 -0.67 4.01 -1.26 -5.07 118.16 111.25 1t2m n LYS 31 Ca -0.01 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.44 1t2m n LYS 31 Cb 0.19 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.57 1t2m n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1t2m s LEU 32 N 0.00 3.15 -0.02 -0.35 1.02 -1.26 -4.63 118.68 116.58 1t2m s LEU 32 Ca 0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 54.13 53.46 1t2m s LEU 32 Cb 0.00 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1t2m s LEU 32 CO 0.00 -0.10 0.10 -0.83 0.02 0.00 0.00 176.35 175.54 1t2m s GLY 33 N 1.40 2.05 -0.72 -3.19 0.00 -1.04 -2.26 107.32 103.56 1t2m s GLY 33 Ca 0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 44.72 43.66 1t2m s GLY 33 CO -0.03 -0.68 1.43 -0.42 0.00 0.00 0.00 173.10 173.39 1t2m s ILE 34 N -1.18 3.64 0.21 0.90 -1.09 -0.99 -3.15 121.20 119.54 1t2m s ILE 34 Ca 0.22 0.32 -0.18 0.00 -2.23 0.00 0.00 60.65 58.78 1t2m s ILE 34 Cb -0.12 -4.69 -0.08 0.00 -1.58 0.00 0.00 42.46 35.99 1t2m s ILE 34 CO 0.13 -1.63 0.68 -0.31 -1.23 0.00 0.00 174.94 172.57 1t2m s TYR 35 N 6.53 3.63 -0.29 3.97 2.02 0.20 0.40 117.35 133.81 1t2m s TYR 35 Ca 0.43 1.30 -0.17 0.00 -0.37 0.00 0.00 57.07 58.26 1t2m s TYR 35 Cb -0.09 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1t2m s TYR 35 CO 0.15 0.35 0.46 0.08 -1.57 0.00 0.00 175.55 175.02 1t2m s VAL 36 N -1.53 5.10 -0.02 0.71 1.01 0.12 0.51 120.40 126.30 1t2m s VAL 36 Ca 0.42 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.84 1t2m s VAL 36 Cb -0.16 -3.81 -0.33 0.00 0.00 0.00 0.00 36.38 32.07 1t2m s VAL 36 CO 0.20 0.04 0.93 0.11 0.00 0.00 0.00 175.10 176.38 1t2m h LYS 37 N 8.18 0.41 -1.94 2.72 1.57 -0.36 0.53 116.57 127.68 1t2m h LYS 37 Ca -0.30 -0.69 0.26 0.00 -1.87 0.00 0.00 60.65 58.05 1t2m h LYS 37 Cb 1.14 0.26 -0.09 0.00 0.08 0.00 0.00 32.23 33.62 1t2m h LYS 37 CO 0.70 1.33 0.69 0.45 -0.57 0.00 0.00 179.45 182.06 1t2m s SER 38 N -7.24 -0.08 -0.07 0.86 0.15 -1.15 -4.10 113.70 102.07 1t2m s SER 38 Ca -0.12 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.27 1t2m s SER 38 Cb 0.02 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1t2m s SER 38 CO 0.88 -0.59 -0.18 -0.69 1.20 0.00 0.00 173.24 173.86 1t2m s VAL 39 N -2.63 1.58 0.33 4.45 1.01 -1.26 -0.76 120.40 123.11 1t2m s VAL 39 Ca 0.16 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1t2m s VAL 39 Cb 0.01 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1t2m s VAL 39 CO -0.00 0.45 1.05 -0.69 0.00 0.00 0.00 175.10 175.91 1t2m s VAL 40 N 0.30 3.70 0.70 2.92 1.01 0.13 -5.00 120.40 124.15 1t2m s VAL 40 Ca -0.12 1.51 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 1t2m s VAL 40 Cb -0.15 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1t2m s VAL 40 CO 0.05 0.21 1.13 -0.54 0.00 0.00 0.00 175.10 175.95 1t2m s LYS 41 N -1.89 2.53 -0.82 2.72 3.01 -1.26 -3.25 119.74 120.78 1t2m s LYS 41 Ca 0.50 1.46 0.00 0.00 -1.01 0.00 0.00 55.97 56.92 1t2m s LYS 41 Cb -0.26 -1.91 0.00 0.00 -1.01 0.00 0.00 37.83 34.65 1t2m s LYS 41 CO 0.33 -1.47 0.00 0.41 0.51 0.00 0.00 175.35 175.13 1t2m n GLY 42 N -0.34 0.93 3.93 -3.33 0.00 -1.26 -5.00 105.19 100.12 1t2m n GLY 42 Ca 0.11 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.59 1.85 0.39 -0.02 0.00 -1.20 -4.93 107.32 100.82 1t2m s GLY 43 Ca 0.00 -0.93 0.12 0.00 0.00 0.00 0.00 44.72 43.91 1t2m s GLY 43 CO 0.00 -0.91 1.89 0.00 0.00 0.00 0.00 173.10 174.08 1t2m h ALA 44 N 2.35 1.98 0.02 3.20 0.00 -1.91 0.26 119.26 125.17 1t2m h ALA 44 Ca -0.47 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1t2m h ALA 44 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t2m h ALA 44 CO 0.70 -0.21 -0.94 0.00 0.00 0.00 0.00 179.25 178.81 1t2m h ALA 45 N 1.62 0.44 0.02 0.00 0.00 -1.93 -2.56 119.26 116.85 1t2m h ALA 45 Ca 0.42 -0.77 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1t2m h ALA 45 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1t2m h ALA 45 CO -0.17 0.97 -0.63 0.22 0.00 0.00 0.00 179.25 179.64 1t2m h ASP 46 N 0.09 0.52 -0.10 0.00 3.58 -1.38 0.13 116.42 119.25 1t2m h ASP 46 Ca -0.05 -0.79 -0.01 0.00 0.42 0.00 0.00 57.03 56.60 1t2m h ASP 46 Cb 1.60 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.49 1t2m h ASP 46 CO 0.14 1.24 0.01 0.58 -2.88 0.00 0.00 179.24 178.34 1t2m h VAL 47 N -0.15 1.23 -0.01 2.25 2.07 -0.65 -3.15 116.25 117.83 1t2m h VAL 47 Ca -0.08 -0.71 -0.17 0.00 0.82 0.00 0.00 66.70 66.55 1t2m h VAL 47 Cb 1.36 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1t2m h VAL 47 CO 0.12 0.20 -0.78 0.44 0.02 0.00 0.00 177.57 177.58 1t2m h ASP 48 N -0.07 0.18 -2.01 0.57 5.19 -1.58 -3.48 116.42 115.22 1t2m h ASP 48 Ca 0.03 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1t2m h ASP 48 Cb 0.31 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1t2m h ASP 48 CO 0.00 0.89 0.00 0.61 -3.12 0.00 0.00 179.24 177.62 1t2m n GLY 49 N 0.67 0.68 0.07 2.75 0.00 0.25 -5.04 105.19 104.57 1t2m n GLY 49 Ca -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1t2m n GLY 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t2m h ARG 50 N 0.00 -0.08 -5.11 1.61 2.43 -1.31 -3.49 114.38 108.42 1t2m h ARG 50 Ca 0.00 0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.83 1t2m h ARG 50 Cb 0.80 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.23 1t2m h ARG 50 CO 0.00 -0.06 -0.70 -0.48 -1.51 0.00 0.00 179.97 177.22 1t2m s LEU 51 N -7.30 2.47 0.00 3.80 0.05 -1.26 -5.06 118.68 111.37 1t2m s LEU 51 Ca -0.01 -1.05 0.01 0.00 0.05 0.00 0.00 54.13 53.13 1t2m s LEU 51 Cb 0.00 -0.36 -0.00 0.00 -2.05 0.00 0.00 46.19 43.78 1t2m s LEU 51 CO 0.04 -0.35 0.04 0.00 -0.55 0.00 0.00 176.35 175.53 1t2m n ALA 52 N -0.26 0.36 -1.76 1.48 0.00 -1.26 -4.83 120.51 114.24 1t2m n ALA 52 Ca -0.09 -1.62 -0.39 0.00 0.00 0.00 0.00 53.44 51.34 1t2m n ALA 52 Cb 0.61 0.97 0.01 0.00 0.00 0.00 0.00 19.45 21.04 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 -2.72 3.10 -0.52 0.00 0.00 -1.26 -3.55 121.76 116.81 1t2m s ALA 53 Ca 0.06 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 1t2m s ALA 53 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1t2m s ALA 53 CO 0.04 -0.94 0.44 0.41 0.00 0.00 0.00 175.76 175.72 1t2m n GLY 54 N 0.62 0.26 3.88 0.00 0.00 0.18 -4.87 105.19 105.27 1t2m n GLY 54 Ca 0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.30 4.48 0.18 1.61 1.01 -1.07 -3.68 116.67 115.91 1t2m s ASP 55 Ca 0.14 -1.42 0.07 0.00 0.71 0.00 0.00 52.55 52.06 1t2m s ASP 55 Cb -0.06 0.59 -0.04 0.00 1.01 0.00 0.00 42.92 44.42 1t2m s ASP 55 CO 0.29 -1.11 -0.14 -1.58 0.21 0.00 0.00 175.17 172.84 1t2m s GLN 56 N -4.20 1.25 -0.07 8.23 -0.44 -1.00 0.11 119.66 123.54 1t2m s GLN 56 Ca 0.23 -1.50 -0.03 0.00 -2.50 0.00 0.00 55.36 51.56 1t2m s GLN 56 Cb -0.02 -1.06 0.04 0.00 -1.64 0.00 0.00 33.01 30.33 1t2m s GLN 56 CO 0.15 0.18 0.15 -0.51 0.50 0.00 0.00 175.29 175.77 1t2m s LEU 57 N -3.08 0.73 0.10 3.68 1.43 0.16 -0.74 118.68 120.97 1t2m s LEU 57 Ca 0.19 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1t2m s LEU 57 Cb -0.02 0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.61 1t2m s LEU 57 CO 0.06 -0.14 0.00 0.18 0.23 0.00 0.00 176.35 176.67 1t2m n LEU 58 N 4.14 1.02 -4.81 1.79 4.77 -0.93 -2.34 117.00 120.65 1t2m n LEU 58 Ca -0.26 0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.49 1t2m n LEU 58 Cb 0.52 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1t2m n LEU 58 CO 0.18 -0.73 0.22 -0.44 -1.33 0.00 0.00 177.39 175.29 1t2m s SER 59 N -5.92 6.98 -0.17 -1.43 0.01 -1.26 -2.20 113.70 109.71 1t2m s SER 59 Ca 0.00 1.17 -0.05 0.00 1.31 0.00 0.00 55.95 58.38 1t2m s SER 59 Cb 0.00 -2.33 0.07 0.00 0.21 0.00 0.00 66.02 63.97 1t2m s SER 59 CO 0.00 0.28 0.13 -0.69 0.41 0.00 0.00 173.24 173.37 1t2m s VAL 60 N -1.04 -0.16 -1.46 3.43 1.01 -0.93 -1.63 120.40 119.61 1t2m s VAL 60 Ca 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1t2m s VAL 60 Cb -0.19 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1t2m s VAL 60 CO 0.17 -0.23 0.78 0.47 0.00 0.00 0.00 175.10 176.29 1t2m n ASP 61 N 5.29 -5.52 -0.50 3.32 8.00 0.13 -1.52 116.55 125.76 1t2m n ASP 61 Ca -0.06 -0.45 -0.05 0.00 0.71 0.00 0.00 54.79 54.94 1t2m n ASP 61 Cb 0.49 -4.43 -0.00 0.00 -0.02 0.00 0.00 41.12 37.16 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t2m n GLY 62 N -1.60 0.26 3.40 0.44 0.00 -1.26 -4.92 105.19 101.51 1t2m n GLY 62 Ca -0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.98 1.63 -0.84 1.61 0.52 -0.57 -5.09 118.95 112.23 1t2m s ARG 63 Ca 0.00 -1.22 -0.17 0.00 -0.52 0.00 0.00 55.73 53.81 1t2m s ARG 63 Cb 0.00 -1.98 0.15 0.00 0.52 0.00 0.00 34.95 33.64 1t2m s ARG 63 CO 0.00 0.48 0.95 -1.12 0.02 0.00 0.00 175.30 175.63 1t2m s SER 64 N -1.80 6.59 -0.77 0.23 0.01 -1.26 -2.20 113.70 114.50 1t2m s SER 64 Ca 0.14 -2.12 -0.16 0.00 1.31 0.00 0.00 55.95 55.12 1t2m s SER 64 Cb -0.10 -2.33 0.17 0.00 0.21 0.00 0.00 66.02 63.97 1t2m s SER 64 CO 0.06 -0.94 0.80 -0.76 0.41 0.00 0.00 173.24 172.81 1t2m s LEU 65 N 1.97 6.04 -0.33 2.44 1.43 -0.94 -4.95 118.68 124.34 1t2m s LEU 65 Ca 0.25 -2.18 -0.02 0.00 -1.03 0.00 0.00 54.13 51.15 1t2m s LEU 65 Cb -0.10 -2.27 0.12 0.00 0.03 0.00 0.00 46.19 43.97 1t2m s LEU 65 CO -0.06 -0.83 0.17 -0.69 0.23 0.00 0.00 176.35 175.17 1t2m s VAL 66 N 1.41 0.17 0.00 -1.59 1.01 -1.26 -4.66 120.40 115.48 1t2m s VAL 66 Ca 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1t2m s VAL 66 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1t2m s VAL 66 CO -0.04 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.81 1t2m n GLY 67 N 4.56 1.27 3.25 4.51 0.00 -0.96 -4.71 105.19 113.12 1t2m n GLY 67 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1t2m n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t2m s LEU 68 N 0.00 2.47 0.88 0.99 0.05 -1.26 -4.88 118.68 116.94 1t2m s LEU 68 Ca 0.00 -0.92 -0.12 0.00 0.05 0.00 0.00 54.13 53.14 1t2m s LEU 68 Cb 0.00 -0.46 0.12 0.00 -2.05 0.00 0.00 46.19 43.80 1t2m s LEU 68 CO 0.00 -0.23 1.12 -0.94 -0.55 0.00 0.00 176.35 175.74 1t2m s SER 69 N -2.84 3.73 0.25 1.48 1.04 -1.26 -4.81 113.70 111.28 1t2m s SER 69 Ca 0.13 1.11 -0.05 0.00 0.48 0.00 0.00 55.95 57.62 1t2m s SER 69 Cb -0.01 -1.75 0.31 0.00 0.10 0.00 0.00 66.02 64.67 1t2m s SER 69 CO 0.02 -2.43 1.89 -0.61 0.98 0.00 0.00 173.24 173.10 1t2m h GLN 70 N -1.41 1.16 -0.98 4.02 4.15 -1.92 -1.92 115.11 118.21 1t2m h GLN 70 Ca -0.50 -0.07 0.11 0.00 0.77 0.00 0.00 58.65 58.96 1t2m h GLN 70 Cb 1.31 -0.26 -0.08 0.00 0.21 0.00 0.00 27.48 28.66 1t2m h GLN 70 CO 0.60 0.77 0.62 1.49 -1.93 0.00 0.00 178.83 180.38 1t2m h GLU 71 N 1.20 0.97 -0.10 1.69 4.81 -1.98 0.47 114.58 121.64 1t2m h GLU 71 Ca 0.38 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1t2m h GLU 71 Cb 0.01 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1t2m h GLU 71 CO -0.13 0.64 -0.01 0.00 -0.73 0.00 0.00 179.01 178.79 1t2m h ARG 72 N 1.00 0.18 -0.05 1.92 2.47 -1.72 -0.19 114.38 117.99 1t2m h ARG 72 Ca 0.48 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.13 1t2m h ARG 72 Cb 0.43 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1t2m h ARG 72 CO -0.25 0.45 -0.00 0.00 0.56 0.00 0.00 179.97 180.73 1t2m h ALA 73 N 0.72 0.07 -0.67 0.04 0.00 -1.07 -1.09 119.26 117.26 1t2m h ALA 73 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1t2m h ALA 73 Cb 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1t2m h ALA 73 CO 0.01 -0.24 0.42 0.00 0.00 0.00 0.00 179.25 179.43 1t2m h ALA 74 N 0.70 0.87 -0.51 0.00 0.00 -0.13 0.25 119.26 120.43 1t2m h ALA 74 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1t2m h ALA 74 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1t2m h ALA 74 CO 0.00 0.18 0.03 1.49 0.00 0.00 0.00 179.25 180.96 1t2m h GLU 75 N 0.82 0.84 -0.11 0.00 4.57 -0.99 0.17 114.58 119.88 1t2m h GLU 75 Ca 0.27 -0.22 -0.19 0.00 -1.18 0.00 0.00 59.36 58.03 1t2m h GLU 75 Cb 0.01 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1t2m h GLU 75 CO -0.10 0.82 -0.73 -0.07 -1.18 0.00 0.00 179.01 177.75 1t2m h LEU 76 N 0.79 0.64 -0.19 1.64 3.38 -0.49 -1.89 115.31 119.20 1t2m h LEU 76 Ca 0.16 -0.42 -0.22 0.00 0.09 0.00 0.00 57.88 57.49 1t2m h LEU 76 Cb 0.43 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1t2m h LEU 76 CO 0.02 1.17 -0.94 0.24 0.09 0.00 0.00 178.44 179.01 1t2m h MET 77 N 0.38 0.31 -0.16 1.13 2.86 -0.32 -3.29 114.93 115.83 1t2m h MET 77 Ca -0.03 -0.35 -0.22 0.00 -2.06 0.00 0.00 59.70 57.03 1t2m h MET 77 Cb 1.32 0.10 0.01 0.00 0.06 0.00 0.00 31.60 33.10 1t2m h MET 77 CO 0.13 1.06 -0.77 0.00 1.06 0.00 0.00 176.91 178.39 1t2m h THR 78 N 0.17 1.28 -1.19 2.22 1.03 -0.70 -3.30 112.91 112.41 1t2m h THR 78 Ca -0.07 -1.96 -0.72 0.00 -0.01 0.00 0.00 66.41 63.64 1t2m h THR 78 Cb 1.59 1.97 -0.13 0.00 -1.07 0.00 0.00 68.15 70.50 1t2m h THR 78 CO 0.16 0.62 2.17 0.54 -0.01 0.00 0.00 175.52 179.00 1t2m n ARG 79 N -3.94 4.43 -4.26 0.00 1.74 -0.71 -4.94 116.66 108.98 1t2m n ARG 79 Ca -0.07 -3.41 -0.24 0.00 -0.77 0.00 0.00 57.85 53.36 1t2m n ARG 79 Cb 0.74 -2.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.53 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 -1.40 2.85 0.00 0.55 -4.23 -1.25 -4.90 115.64 107.27 1t2m s THR 80 Ca 0.54 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1t2m s THR 80 Cb 0.20 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1t2m s THR 80 CO -0.11 -0.22 0.00 -1.54 -0.54 0.00 0.00 174.62 172.21 1t2m n SER 81 N -1.01 -0.03 0.07 3.99 3.41 -1.26 -4.97 113.62 113.82 1t2m n SER 81 Ca -0.04 -0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 57.90 1t2m n SER 81 Cb 0.62 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 1t2m n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1t2m h SER 82 N -0.03 -0.35 -2.79 4.04 0.87 -1.95 -3.42 113.55 109.92 1t2m h SER 82 Ca 0.00 0.05 -0.66 0.00 -1.23 0.00 0.00 61.79 59.94 1t2m h SER 82 Cb 0.00 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 1t2m h SER 82 CO 0.00 -0.18 -0.49 -0.69 -0.53 0.00 0.00 176.83 174.93 1t2m s VAL 83 N -6.15 5.39 -0.06 2.23 1.01 -1.26 -0.06 120.40 121.50 1t2m s VAL 83 Ca -0.14 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1t2m s VAL 83 Cb 0.08 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1t2m s VAL 83 CO 0.66 0.59 -0.06 -0.69 0.00 0.00 0.00 175.10 175.60 1t2m s VAL 84 N -0.81 0.69 -0.46 2.92 1.01 0.35 -4.98 120.40 119.13 1t2m s VAL 84 Ca 0.14 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1t2m s VAL 84 Cb -0.12 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.60 1t2m s VAL 84 CO 0.03 0.27 0.45 0.42 0.00 0.00 0.00 175.10 176.27 1t2m s THR 85 N 1.07 5.11 -0.06 3.92 -4.23 -1.26 -2.04 115.64 118.14 1t2m s THR 85 Ca -0.08 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1t2m s THR 85 Cb -0.14 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.56 1t2m s THR 85 CO -0.01 -0.56 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.58 1t2m s LEU 86 N 2.04 2.48 -0.54 4.79 1.43 -0.60 0.22 118.68 128.50 1t2m s LEU 86 Ca 0.09 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1t2m s LEU 86 Cb -0.20 -1.49 0.14 0.00 0.03 0.00 0.00 46.19 44.67 1t2m s LEU 86 CO 0.10 0.28 0.42 -0.70 0.23 0.00 0.00 176.35 176.69 1t2m s GLU 87 N -0.37 2.64 -0.11 1.70 2.12 -0.65 -0.96 118.70 123.08 1t2m s GLU 87 Ca 0.03 -1.97 -0.09 0.00 0.36 0.00 0.00 54.97 53.30 1t2m s GLU 87 Cb -0.12 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 1t2m s GLU 87 CO 0.02 -1.21 0.19 0.08 -0.54 0.00 0.00 175.26 173.80 1t2m s VAL 88 N 1.00 5.42 -0.30 3.70 1.01 -0.27 -2.18 120.40 128.77 1t2m s VAL 88 Ca 0.09 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1t2m s VAL 88 Cb -0.23 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1t2m s VAL 88 CO -0.02 0.59 0.19 0.00 0.00 0.00 0.00 175.10 175.87 1t2m s ALA 89 N -0.90 3.47 -0.01 5.51 0.00 0.08 -1.88 121.76 128.02 1t2m s ALA 89 Ca 0.16 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1t2m s ALA 89 Cb -0.13 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 1t2m s ALA 89 CO 0.05 -0.70 1.47 0.15 0.00 0.00 0.00 175.76 176.73 1t2m s LYS 90 N 1.73 4.25 0.12 0.00 3.01 0.12 -2.38 119.74 126.59 1t2m s LYS 90 Ca 0.06 2.03 -0.18 0.00 -1.01 0.00 0.00 55.97 56.87 1t2m s LYS 90 Cb -0.16 -3.67 0.06 0.00 -1.01 0.00 0.00 37.83 33.05 1t2m s LYS 90 CO 0.10 -0.66 0.86 0.00 0.51 0.00 0.00 175.35 176.16 1t2m n GLN 91 N 5.83 0.46 0.00 1.68 10.64 -1.26 -3.58 117.38 131.15 1t2m n GLN 91 Ca 0.14 -1.09 0.00 0.00 -1.83 0.00 0.00 57.00 54.22 1t2m n GLN 91 Cb 0.43 1.51 0.00 0.00 -0.86 0.00 0.00 30.24 31.32 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 -0.61 2.54 3.74 2.61 0.00 -1.24 -4.51 105.19 107.72 1t2m n GLY 92 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32