#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 -2.40 -2.69 0.03 5.02 -1.26 -4.91 118.16 111.96 1t2m n LYS 2 Ca 0.00 1.93 -0.34 0.00 -2.02 0.00 0.00 58.31 57.88 1t2m n LYS 2 Cb 0.00 -2.63 -0.05 0.00 -0.02 0.00 0.00 35.03 32.33 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 -4.22 4.12 0.80 1.97 2.02 -1.26 -5.04 118.70 117.09 1t2m s GLU 3 Ca 0.00 1.28 -0.11 0.00 0.02 0.00 0.00 54.97 56.15 1t2m s GLU 3 Cb 0.00 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 32.03 1t2m s GLU 3 CO 0.00 -0.14 1.12 -1.25 0.02 0.00 0.00 175.26 175.01 1t2m s PRO 4 N -2.97 1.94 -0.79 0.39 0.04 -1.26 -4.99 135.00 127.36 1t2m s PRO 4 Ca 0.62 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 1t2m s PRO 4 Cb -0.14 -1.85 0.21 0.00 0.04 0.00 0.00 34.50 32.76 1t2m s PRO 4 CO 0.19 -1.92 0.73 -2.00 0.04 0.00 0.00 177.00 174.04 1t2m s GLU 5 N -4.61 3.51 -0.11 4.56 2.12 -1.22 -4.94 118.70 118.02 1t2m s GLU 5 Ca 0.65 -2.38 -0.26 0.00 0.36 0.00 0.00 54.97 53.35 1t2m s GLU 5 Cb -0.21 -4.40 -0.02 0.00 0.26 0.00 0.00 34.13 29.76 1t2m s GLU 5 CO 0.53 -1.29 0.82 0.42 -0.54 0.00 0.00 175.26 175.21 1t2m s ILE 6 N 0.32 4.93 -0.03 -3.70 1.09 -1.26 -0.12 121.20 122.43 1t2m s ILE 6 Ca 0.16 1.67 -0.08 0.00 -1.10 0.00 0.00 60.65 61.29 1t2m s ILE 6 Cb -0.13 -4.15 0.01 0.00 -1.06 0.00 0.00 42.46 37.14 1t2m s ILE 6 CO -0.07 0.12 0.19 0.27 -0.10 0.00 0.00 174.94 175.34 1t2m s ILE 7 N 1.54 0.05 -0.02 2.92 -4.36 0.15 -4.98 121.20 116.51 1t2m s ILE 7 Ca 0.41 -0.43 0.05 0.00 -0.26 0.00 0.00 60.65 60.42 1t2m s ILE 7 Cb -0.18 -0.42 -0.03 0.00 1.25 0.00 0.00 42.46 43.09 1t2m s ILE 7 CO 0.17 -0.24 -0.17 0.28 0.24 0.00 0.00 174.94 175.23 1t2m s THR 8 N -0.88 2.87 0.01 8.37 -1.32 -1.26 0.45 115.64 123.88 1t2m s THR 8 Ca -0.10 -0.92 -0.03 0.00 -1.21 0.00 0.00 61.69 59.44 1t2m s THR 8 Cb -0.05 -2.14 -0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1t2m s THR 8 CO 0.02 0.51 0.04 0.68 -2.21 0.00 0.00 174.62 173.65 1t2m s VAL 9 N -0.78 0.09 -0.03 5.08 -7.23 -0.98 -4.90 120.40 111.64 1t2m s VAL 9 Ca 0.12 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1t2m s VAL 9 Cb -0.10 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.51 1t2m s VAL 9 CO 0.02 -0.40 1.00 -0.89 -0.31 0.00 0.00 175.10 174.51 1t2m s THR 10 N -1.26 4.82 -0.16 5.32 2.01 -1.26 -1.03 115.64 124.08 1t2m s THR 10 Ca -0.14 2.04 0.02 0.00 0.31 0.00 0.00 61.69 63.92 1t2m s THR 10 Cb -0.08 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1t2m s THR 10 CO -0.00 0.11 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.62 1t2m s LEU 11 N 1.33 2.09 -0.55 4.42 2.96 -0.20 -4.94 118.68 123.79 1t2m s LEU 11 Ca 0.51 -0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 53.65 1t2m s LEU 11 Cb -0.20 -1.44 0.14 0.00 0.50 0.00 0.00 46.19 45.18 1t2m s LEU 11 CO 0.25 0.03 0.50 -0.75 -1.32 0.00 0.00 176.35 175.05 1t2m s LYS 12 N 1.12 2.97 0.18 1.98 2.20 -1.26 -2.36 119.74 124.57 1t2m s LYS 12 Ca 0.00 -1.79 -0.33 0.00 -0.36 0.00 0.00 55.97 53.50 1t2m s LYS 12 Cb -0.14 -4.25 -0.13 0.00 -1.51 0.00 0.00 37.83 31.79 1t2m s LYS 12 CO -0.09 -1.31 1.60 0.36 -0.36 0.00 0.00 175.35 175.56 1t2m n LYS 13 N 5.09 2.28 -0.02 4.03 2.85 -1.18 -4.71 118.16 126.49 1t2m n LYS 13 Ca -0.11 0.82 -0.02 0.00 -1.05 0.00 0.00 58.31 57.95 1t2m n LYS 13 Cb 0.41 -2.60 -0.01 0.00 -0.65 0.00 0.00 35.03 32.17 1t2m n LYS 13 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1t2m h GLN 14 N 6.00 -0.06 -0.03 -1.58 1.08 -1.95 -3.45 115.11 115.12 1t2m h GLN 14 Ca -0.45 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.59 1t2m h GLN 14 Cb 1.24 0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 28.52 1t2m h GLN 14 CO 0.89 0.02 -0.36 -1.71 -0.95 0.00 0.00 178.83 176.73 1t2m n ASN 15 N -4.81 -1.07 0.00 1.46 5.15 -1.26 -5.15 115.26 109.58 1t2m n ASN 15 Ca -0.01 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.82 1t2m n ASN 15 Cb 0.06 0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1t2m n GLY 16 N -1.07 0.34 2.56 8.20 0.00 -1.26 -5.07 105.19 108.89 1t2m n GLY 16 Ca -0.18 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.00 0.21 -1.15 1.61 -1.94 -1.26 -4.76 119.30 110.01 1t2m s MET 17 Ca 0.00 -0.50 -0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1t2m s MET 17 Cb 0.00 -1.32 0.25 0.00 2.01 0.00 0.00 34.83 35.78 1t2m s MET 17 CO 0.00 -0.97 1.33 0.41 -0.01 0.00 0.00 175.02 175.78 1t2m n GLY 18 N 5.22 4.24 3.52 -0.03 0.00 -1.26 -4.95 105.19 111.94 1t2m n GLY 18 Ca -0.06 -2.43 -0.12 0.00 0.00 0.00 0.00 46.02 43.41 1t2m n GLY 18 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t2m s LEU 19 N -0.81 -0.44 -0.38 0.99 0.05 -1.26 -0.16 118.68 116.67 1t2m s LEU 19 Ca 0.34 1.26 -0.10 0.00 0.05 0.00 0.00 54.13 55.68 1t2m s LEU 19 Cb -0.04 2.10 0.04 0.00 -2.05 0.00 0.00 46.19 46.24 1t2m s LEU 19 CO -0.02 -0.22 0.21 -0.44 -0.55 0.00 0.00 176.35 175.33 1t2m s SER 20 N 0.65 5.67 0.56 1.48 0.01 -0.42 -5.01 113.70 116.63 1t2m s SER 20 Ca -0.03 -1.12 0.08 0.00 1.31 0.00 0.00 55.95 56.20 1t2m s SER 20 Cb -0.05 -2.00 0.07 0.00 0.21 0.00 0.00 66.02 64.25 1t2m s SER 20 CO -0.04 -0.41 0.67 0.27 0.41 0.00 0.00 173.24 174.14 1t2m s ILE 21 N 1.51 2.03 -0.22 1.44 -4.36 -1.26 -1.84 121.20 118.50 1t2m s ILE 21 Ca 0.02 -1.15 -0.15 0.00 -0.26 0.00 0.00 60.65 59.11 1t2m s ILE 21 Cb -0.20 -2.17 0.06 0.00 1.25 0.00 0.00 42.46 41.40 1t2m s ILE 21 CO 0.05 0.00 0.55 0.54 0.24 0.00 0.00 174.94 176.32 1t2m s VAL 22 N -2.69 -0.01 -0.52 8.37 0.11 -0.56 -4.86 120.40 120.25 1t2m s VAL 22 Ca 0.54 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.43 1t2m s VAL 22 Cb -0.05 -0.78 0.07 0.00 -1.53 0.00 0.00 36.38 34.09 1t2m s VAL 22 CO 0.34 0.01 0.60 0.00 -3.33 0.00 0.00 175.10 172.72 1t2m s ALA 23 N 0.97 3.42 0.34 1.54 0.00 -1.26 -0.02 121.76 126.76 1t2m s ALA 23 Ca -0.05 -1.91 0.04 0.00 0.00 0.00 0.00 51.96 50.03 1t2m s ALA 23 Cb -0.06 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1t2m s ALA 23 CO -0.09 -2.04 0.37 0.00 0.00 0.00 0.00 175.76 174.01 1t2m n ALA 24 N 6.04 0.26 -2.09 0.00 0.00 0.11 -4.67 120.51 120.15 1t2m n ALA 24 Ca -0.08 -1.81 -0.21 0.00 0.00 0.00 0.00 53.44 51.34 1t2m n ALA 24 Cb 0.44 1.47 0.06 0.00 0.00 0.00 0.00 19.45 21.42 1t2m n ALA 24 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t2m s LYS 25 N -3.11 2.26 0.00 0.00 1.02 -1.26 -0.47 119.74 118.17 1t2m s LYS 25 Ca 0.35 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.61 1t2m s LYS 25 Cb 0.01 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1t2m s LYS 25 CO 0.25 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 1t2m n GLY 26 N -2.21 3.69 3.60 -3.33 0.00 -1.26 -4.94 105.19 100.74 1t2m n GLY 26 Ca 0.14 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.07 3.11 -2.06 4.61 0.00 -1.26 -4.59 121.76 120.50 1t2m s ALA 27 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1t2m s ALA 27 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1t2m s ALA 27 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1t2m n GLY 28 N -0.88 1.82 0.00 0.00 0.00 -1.26 -4.92 105.19 99.95 1t2m n GLY 28 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.29 3.32 -0.26 1.61 7.27 -1.26 -5.09 117.38 120.68 1t2m n GLN 29 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1t2m n GLN 29 Cb 0.64 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 1t2m n GLN 29 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1t2m n ASP 30 N -0.35 0.00 -1.15 1.69 2.03 -1.26 -5.07 116.55 112.44 1t2m n ASP 30 Ca 0.00 -0.59 -0.01 0.00 0.52 0.00 0.00 54.79 54.71 1t2m n ASP 30 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.08 -3.62 -0.67 4.76 -1.26 -5.05 118.16 112.40 1t2m n LYS 31 Ca 0.00 -0.19 -0.37 0.00 -2.87 0.00 0.00 58.31 54.88 1t2m n LYS 31 Cb 0.30 0.22 -0.10 0.00 -1.84 0.00 0.00 35.03 33.61 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 4.10 0.47 -0.35 2.96 -1.26 -4.63 118.68 119.97 1t2m s LEU 32 Ca 0.02 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1t2m s LEU 32 Cb -0.00 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1t2m s LEU 32 CO 0.01 0.03 0.07 -0.83 -1.32 0.00 0.00 176.35 174.31 1t2m s GLY 33 N 1.20 2.73 0.14 7.98 0.00 0.38 -1.91 107.32 117.85 1t2m s GLY 33 Ca 0.08 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.62 1t2m s GLY 33 CO 0.06 -2.11 0.18 -0.42 0.00 0.00 0.00 173.10 170.81 1t2m s ILE 34 N -2.79 4.82 0.09 0.90 1.09 -0.91 0.06 121.20 124.46 1t2m s ILE 34 Ca 0.21 -0.87 0.02 0.00 -1.10 0.00 0.00 60.65 58.91 1t2m s ILE 34 Cb 0.04 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 1t2m s ILE 34 CO 0.11 -0.06 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.52 1t2m s TYR 35 N -1.69 0.83 -0.40 3.97 1.51 0.97 0.13 117.35 122.68 1t2m s TYR 35 Ca 0.32 -0.86 -0.12 0.00 -1.01 0.00 0.00 57.07 55.40 1t2m s TYR 35 Cb -0.11 -0.49 0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1t2m s TYR 35 CO 0.25 -0.16 0.26 0.08 -1.11 0.00 0.00 175.55 174.88 1t2m s VAL 36 N -3.30 4.80 0.01 0.71 1.01 0.80 -1.49 120.40 122.95 1t2m s VAL 36 Ca 0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1t2m s VAL 36 Cb 0.03 -3.74 -0.33 0.00 0.00 0.00 0.00 36.38 32.35 1t2m s VAL 36 CO -0.04 -0.33 0.93 0.11 0.00 0.00 0.00 175.10 175.76 1t2m h LYS 37 N 8.53 0.45 -1.44 2.72 1.57 -1.68 0.62 116.57 127.34 1t2m h LYS 37 Ca -0.26 -0.77 0.24 0.00 -1.87 0.00 0.00 60.65 58.00 1t2m h LYS 37 Cb 1.11 0.29 -0.20 0.00 0.08 0.00 0.00 32.23 33.50 1t2m h LYS 37 CO 0.72 1.36 0.81 0.45 -0.57 0.00 0.00 179.45 182.22 1t2m s SER 38 N -7.41 -0.14 0.05 0.86 0.15 -1.21 -4.31 113.70 101.69 1t2m s SER 38 Ca -0.10 0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1t2m s SER 38 Cb 0.05 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1t2m s SER 38 CO 0.91 -0.22 -0.17 -0.69 1.20 0.00 0.00 173.24 174.28 1t2m s VAL 39 N -2.20 1.33 0.14 4.45 1.01 -1.26 -1.31 120.40 122.57 1t2m s VAL 39 Ca 0.09 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 1t2m s VAL 39 Cb -0.01 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 1t2m s VAL 39 CO -0.05 0.04 0.71 -0.69 0.00 0.00 0.00 175.10 175.12 1t2m s VAL 40 N -0.89 4.49 -0.85 2.92 1.01 0.77 -4.97 120.40 122.87 1t2m s VAL 40 Ca 0.03 1.54 -0.25 0.00 0.00 0.00 0.00 61.98 63.30 1t2m s VAL 40 Cb -0.08 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1t2m s VAL 40 CO 0.02 0.51 2.01 -0.54 0.00 0.00 0.00 175.10 177.10 1t2m s LYS 41 N -1.20 2.42 0.00 2.72 -0.14 -1.26 -2.51 119.74 119.77 1t2m s LYS 41 Ca 0.34 -0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 1t2m s LYS 41 Cb -0.22 -4.96 0.00 0.00 -1.68 0.00 0.00 37.83 30.98 1t2m s LYS 41 CO 0.24 -3.47 0.00 0.41 -0.76 0.00 0.00 175.35 171.77 1t2m n GLY 42 N 6.73 0.97 3.73 -3.33 0.00 -1.26 -5.00 105.19 107.03 1t2m n GLY 42 Ca 0.39 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.61 0.34 -0.02 0.00 -1.04 -4.55 105.19 100.53 1t2m n GLY 43 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.13 1t2m n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m h ALA 44 N 0.96 1.38 0.06 4.61 0.00 -1.86 0.34 119.26 124.76 1t2m h ALA 44 Ca -0.51 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.10 1t2m h ALA 44 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1t2m h ALA 44 CO 0.55 -0.28 -1.61 0.00 0.00 0.00 0.00 179.25 177.90 1t2m h ALA 45 N 1.54 0.49 0.02 0.00 0.00 -1.92 -3.18 119.26 116.21 1t2m h ALA 45 Ca 0.03 -1.27 -0.16 0.00 0.00 0.00 0.00 54.91 53.51 1t2m h ALA 45 Cb 0.54 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1t2m h ALA 45 CO -0.00 1.34 -0.88 0.22 0.00 0.00 0.00 179.25 179.93 1t2m h ASP 46 N 0.04 0.05 0.14 0.00 3.58 -1.43 -2.33 116.42 116.48 1t2m h ASP 46 Ca -0.26 -0.71 -0.03 0.00 0.42 0.00 0.00 57.03 56.45 1t2m h ASP 46 Cb 1.99 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 43.02 1t2m h ASP 46 CO 0.12 1.35 -0.14 1.62 -2.88 0.00 0.00 179.24 179.31 1t2m h VAL 47 N -0.90 1.09 0.00 2.25 3.04 -0.61 -3.15 116.25 117.97 1t2m h VAL 47 Ca -0.23 -0.48 -0.16 0.00 -1.01 0.00 0.00 66.70 64.82 1t2m h VAL 47 Cb 1.27 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.79 1t2m h VAL 47 CO -0.11 0.14 -0.87 0.44 -1.01 0.00 0.00 177.57 176.16 1t2m h ASP 48 N 0.00 0.00 0.00 3.17 5.19 -1.71 -3.51 116.42 119.57 1t2m h ASP 48 Ca -0.00 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 1t2m h ASP 48 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1t2m h ASP 48 CO 0.02 1.34 0.00 0.61 -3.12 0.00 0.00 179.24 178.09 1t2m n GLY 49 N 1.49 0.37 2.00 2.75 0.00 -0.90 -5.08 105.19 105.83 1t2m n GLY 49 Ca -0.25 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.24 0.00 -4.19 1.61 5.12 -1.09 -5.04 116.66 113.31 1t2m n ARG 50 Ca 0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 1t2m n ARG 50 Cb 0.00 0.00 -0.15 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 -5.12 1.93 0.00 0.55 0.05 -1.26 -5.13 118.68 109.69 1t2m s LEU 51 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 54.13 54.07 1t2m s LEU 51 Cb 0.00 -0.32 0.00 0.00 -2.05 0.00 0.00 46.19 43.82 1t2m s LEU 51 CO 0.00 0.06 0.02 0.00 -0.55 0.00 0.00 176.35 175.88 1t2m n ALA 52 N 3.06 0.04 -1.50 1.48 0.00 -1.26 -4.73 120.51 117.60 1t2m n ALA 52 Ca -0.14 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 1t2m n ALA 52 Cb 0.57 0.05 0.06 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 -2.04 2.35 -0.68 0.00 0.00 -1.26 -3.66 121.76 116.47 1t2m s ALA 53 Ca 0.01 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 1t2m s ALA 53 Cb -0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1t2m s ALA 53 CO 0.01 -1.46 0.40 0.41 0.00 0.00 0.00 175.76 175.11 1t2m n GLY 54 N 0.03 0.19 3.85 0.00 0.00 0.21 -5.00 105.19 104.46 1t2m n GLY 54 Ca 0.12 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1t2m n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t2m s ASP 55 N -2.99 4.67 0.20 1.61 1.01 -1.08 -4.66 116.67 115.44 1t2m s ASP 55 Ca 0.20 -1.08 0.10 0.00 0.71 0.00 0.00 52.55 52.48 1t2m s ASP 55 Cb -0.09 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1t2m s ASP 55 CO 0.24 -0.82 -0.20 -1.58 0.21 0.00 0.00 175.17 173.02 1t2m s GLN 56 N -4.12 1.44 -0.02 8.23 -0.44 -1.01 -0.14 119.66 123.60 1t2m s GLN 56 Ca 0.39 -1.55 0.02 0.00 -2.50 0.00 0.00 55.36 51.72 1t2m s GLN 56 Cb -0.01 -1.55 0.01 0.00 -1.64 0.00 0.00 33.01 29.82 1t2m s GLN 56 CO 0.23 0.31 -0.07 -0.51 0.50 0.00 0.00 175.29 175.75 1t2m s LEU 57 N -2.94 1.71 0.06 3.68 1.43 0.35 -0.48 118.68 122.49 1t2m s LEU 57 Ca 0.21 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1t2m s LEU 57 Cb -0.06 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1t2m s LEU 57 CO 0.09 0.03 0.00 0.18 0.23 0.00 0.00 176.35 176.88 1t2m n LEU 58 N 3.42 0.65 -4.57 1.79 4.77 -0.06 -2.14 117.00 120.86 1t2m n LEU 58 Ca -0.19 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.62 1t2m n LEU 58 Cb 0.54 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1t2m n LEU 58 CO 0.24 -0.46 -0.41 -0.44 -1.33 0.00 0.00 177.39 175.00 1t2m s SER 59 N -5.58 4.20 -0.00 -1.43 0.01 -1.18 -3.19 113.70 106.52 1t2m s SER 59 Ca 0.00 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 1t2m s SER 59 Cb 0.00 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1t2m s SER 59 CO 0.00 0.08 0.01 -0.69 0.41 0.00 0.00 173.24 173.04 1t2m s VAL 60 N -1.90 -0.00 -1.74 3.43 1.01 0.09 -1.37 120.40 119.91 1t2m s VAL 60 Ca 0.26 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 1t2m s VAL 60 Cb -0.08 -0.02 0.17 0.00 0.00 0.00 0.00 36.38 36.44 1t2m s VAL 60 CO 0.16 0.01 0.61 -0.90 0.00 0.00 0.00 175.10 174.97 1t2m n ASP 61 N 3.16 -2.09 -1.57 3.32 5.75 0.14 0.54 116.55 125.80 1t2m n ASP 61 Ca -0.13 -1.13 -0.12 0.00 -0.01 0.00 0.00 54.79 53.39 1t2m n ASP 61 Cb 0.59 -2.20 0.01 0.00 -1.03 0.00 0.00 41.12 38.49 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1t2m n GLY 62 N -1.42 -0.06 3.08 6.12 0.00 -1.17 -4.73 105.19 107.01 1t2m n GLY 62 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.88 0.73 -0.18 1.61 0.52 0.19 -5.13 118.95 111.82 1t2m s ARG 63 Ca 0.08 -0.63 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 1t2m s ARG 63 Cb -0.04 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.72 1t2m s ARG 63 CO 0.10 0.16 0.47 -1.12 0.02 0.00 0.00 175.30 174.94 1t2m s SER 64 N -1.00 6.56 -0.41 0.23 0.01 -1.26 -0.73 113.70 117.09 1t2m s SER 64 Ca -0.01 0.66 0.10 0.00 1.31 0.00 0.00 55.95 58.02 1t2m s SER 64 Cb -0.07 -2.27 0.33 0.00 0.21 0.00 0.00 66.02 64.22 1t2m s SER 64 CO 0.01 -0.10 0.74 0.00 0.41 0.00 0.00 173.24 174.30 1t2m n LEU 65 N 4.38 1.38 -4.27 2.44 -0.00 -1.19 -4.99 117.00 114.74 1t2m n LEU 65 Ca -0.06 -5.09 -0.44 0.00 -0.00 0.00 0.00 56.01 50.42 1t2m n LEU 65 Cb 0.51 0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 44.35 1t2m n LEU 65 CO 0.42 2.27 0.12 -0.69 -0.00 0.00 0.00 177.39 179.50 1t2m s VAL 66 N -2.59 4.87 0.00 1.47 1.01 -1.26 -4.30 120.40 119.60 1t2m s VAL 66 Ca 0.41 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1t2m s VAL 66 Cb 0.31 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1t2m s VAL 66 CO -0.09 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.76 1t2m n GLY 67 N 4.91 1.31 3.82 4.51 0.00 -0.80 -4.77 105.19 114.17 1t2m n GLY 67 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 2.09 0.00 0.99 1.43 -1.26 -4.39 118.68 117.55 1t2m s LEU 68 Ca 0.00 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 1t2m s LEU 68 Cb 0.00 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.51 1t2m s LEU 68 CO 0.00 -2.79 0.60 -0.24 0.23 0.00 0.00 176.35 174.15 1t2m n SER 69 N -3.87 1.22 0.08 2.29 2.88 -1.26 -4.67 113.62 110.29 1t2m n SER 69 Ca 0.11 -1.93 0.05 0.00 -1.33 0.00 0.00 58.87 55.77 1t2m n SER 69 Cb 0.60 -0.35 0.49 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.37 0.76 -1.46 4.15 -1.95 -1.42 115.11 115.57 1t2m h GLN 70 Ca -0.20 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1t2m h GLN 70 Cb 0.84 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 1t2m h GLN 70 CO 0.25 0.25 -0.44 0.93 -1.93 0.00 0.00 178.83 177.89 1t2m h GLU 71 N 0.38 -1.08 -0.57 1.69 3.07 -1.98 0.39 114.58 116.48 1t2m h GLU 71 Ca 0.10 0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1t2m h GLU 71 Cb -0.03 0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1t2m h GLU 71 CO -0.02 -0.72 0.22 0.00 -1.40 0.00 0.00 179.01 177.09 1t2m h ARG 72 N -1.12 0.87 -0.15 2.33 2.47 -1.90 0.29 114.38 117.16 1t2m h ARG 72 Ca -0.10 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1t2m h ARG 72 Cb 0.89 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1t2m h ARG 72 CO 0.12 0.75 0.09 0.00 0.56 0.00 0.00 179.97 181.49 1t2m h ALA 73 N 1.07 0.19 -0.22 0.04 0.00 -1.18 0.69 119.26 119.85 1t2m h ALA 73 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1t2m h ALA 73 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1t2m h ALA 73 CO -0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 179.25 178.78 1t2m h ALA 74 N 1.00 0.32 -0.18 0.00 0.00 -0.12 -2.71 119.26 117.56 1t2m h ALA 74 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1t2m h ALA 74 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1t2m h ALA 74 CO -0.01 0.22 0.10 1.49 0.00 0.00 0.00 179.25 181.05 1t2m h GLU 75 N 0.19 0.25 -0.20 0.00 4.57 -0.33 -1.67 114.58 117.40 1t2m h GLU 75 Ca 0.04 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 1t2m h GLU 75 Cb 0.70 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1t2m h GLU 75 CO 0.04 0.19 -0.54 -0.07 -1.18 0.00 0.00 179.01 177.45 1t2m h LEU 76 N 0.25 0.65 -0.19 1.64 3.38 -0.73 -2.58 115.31 117.73 1t2m h LEU 76 Ca 0.07 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1t2m h LEU 76 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1t2m h LEU 76 CO -0.01 1.06 -0.06 0.24 0.09 0.00 0.00 178.44 179.77 1t2m h MET 77 N 0.45 0.38 0.00 1.13 2.86 -1.01 -2.96 114.93 115.78 1t2m h MET 77 Ca 0.01 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1t2m h MET 77 Cb 1.09 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1t2m h MET 77 CO 0.10 0.64 -0.17 0.00 1.06 0.00 0.00 176.91 178.54 1t2m h THR 78 N 0.09 0.92 -1.14 2.22 1.03 -1.40 -3.07 112.91 111.55 1t2m h THR 78 Ca 0.05 -0.64 -0.55 0.00 -0.01 0.00 0.00 66.41 65.25 1t2m h THR 78 Cb 0.51 1.37 -0.17 0.00 -1.07 0.00 0.00 68.15 68.78 1t2m h THR 78 CO 0.02 0.17 0.74 0.54 -0.01 0.00 0.00 175.52 176.98 1t2m n ARG 79 N -4.03 2.80 -3.84 0.00 1.74 -0.97 -4.91 116.66 107.44 1t2m n ARG 79 Ca -0.02 -2.61 -0.19 0.00 -0.77 0.00 0.00 57.85 54.26 1t2m n ARG 79 Cb 0.25 -2.23 -0.05 0.00 -1.02 0.00 0.00 32.46 29.41 1t2m n ARG 79 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1t2m n THR 80 N 0.92 0.00 -3.08 0.55 -2.24 -1.16 -4.96 114.28 104.31 1t2m n THR 80 Ca 0.51 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1t2m n THR 80 Cb 0.49 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1t2m n THR 80 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1t2m n SER 81 N -1.64 1.06 -0.07 3.42 2.88 -1.26 -5.03 113.62 112.97 1t2m n SER 81 Ca -0.05 -0.55 -0.07 0.00 -1.33 0.00 0.00 58.87 56.87 1t2m n SER 81 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1t2m n SER 81 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1t2m h SER 82 N 0.00 -0.24 -3.36 -3.46 0.87 -1.93 -3.40 113.55 102.03 1t2m h SER 82 Ca 0.00 0.08 -0.58 0.00 -1.23 0.00 0.00 61.79 60.06 1t2m h SER 82 Cb 0.00 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 1t2m h SER 82 CO 0.00 -0.08 0.18 -0.69 -0.53 0.00 0.00 176.83 175.70 1t2m s VAL 83 N -6.21 5.00 -0.21 2.23 1.01 -1.26 -3.13 120.40 117.83 1t2m s VAL 83 Ca -0.14 1.40 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1t2m s VAL 83 Cb 0.12 -4.03 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1t2m s VAL 83 CO 0.69 0.15 0.24 -0.69 0.00 0.00 0.00 175.10 175.49 1t2m s VAL 84 N 1.52 -0.36 -0.24 2.92 1.01 -0.99 -4.95 120.40 119.31 1t2m s VAL 84 Ca 0.35 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 1t2m s VAL 84 Cb -0.17 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1t2m s VAL 84 CO 0.14 -0.19 0.85 -0.89 0.00 0.00 0.00 175.10 175.01 1t2m s THR 85 N 2.35 4.82 -0.28 3.92 2.01 -1.26 -1.03 115.64 126.17 1t2m s THR 85 Ca 0.07 1.63 -0.05 0.00 0.31 0.00 0.00 61.69 63.65 1t2m s THR 85 Cb -0.16 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1t2m s THR 85 CO -0.12 -0.08 0.03 -0.76 -0.69 0.00 0.00 174.62 173.00 1t2m s LEU 86 N 2.86 3.62 -0.89 4.42 1.43 -0.20 0.23 118.68 130.15 1t2m s LEU 86 Ca 0.36 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 1t2m s LEU 86 Cb -0.15 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.36 1t2m s LEU 86 CO 0.07 -0.16 1.16 -0.70 0.23 0.00 0.00 176.35 176.95 1t2m s GLU 87 N 1.45 3.49 0.59 1.70 2.12 -0.47 -2.32 118.70 125.27 1t2m s GLU 87 Ca 0.02 -1.42 0.02 0.00 0.36 0.00 0.00 54.97 53.95 1t2m s GLU 87 Cb -0.17 -4.85 0.07 0.00 0.26 0.00 0.00 34.13 29.44 1t2m s GLU 87 CO 0.00 -1.87 0.83 0.14 -0.54 0.00 0.00 175.26 173.81 1t2m s VAL 88 N 3.46 2.46 -0.11 3.70 -7.23 0.17 -0.88 120.40 121.97 1t2m s VAL 88 Ca 0.33 -0.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1t2m s VAL 88 Cb -0.06 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1t2m s VAL 88 CO -0.05 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.65 1t2m s ALA 89 N -2.83 1.39 -0.86 1.32 0.00 0.37 0.29 121.76 121.44 1t2m s ALA 89 Ca 0.61 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.76 1t2m s ALA 89 Cb -0.08 -0.91 0.07 0.00 0.00 0.00 0.00 23.12 22.21 1t2m s ALA 89 CO 0.40 -0.38 1.21 0.15 0.00 0.00 0.00 175.76 177.14 1t2m s LYS 90 N 1.61 3.40 0.24 0.00 -0.14 0.83 -2.40 119.74 123.28 1t2m s LYS 90 Ca 0.04 -1.07 -0.12 0.00 -1.36 0.00 0.00 55.97 53.46 1t2m s LYS 90 Cb -0.13 -4.75 0.05 0.00 -1.68 0.00 0.00 37.83 31.32 1t2m s LYS 90 CO -0.08 -1.98 0.63 0.00 -0.76 0.00 0.00 175.35 173.16 1t2m n GLN 91 N 8.05 0.71 0.00 1.68 -0.00 -1.26 -3.40 117.38 123.15 1t2m n GLN 91 Ca 0.16 -1.43 0.00 0.00 -0.00 0.00 0.00 57.00 55.73 1t2m n GLN 91 Cb 0.49 1.83 0.00 0.00 -0.00 0.00 0.00 30.24 32.56 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 -0.44 3.55 0.67 2.61 0.00 -1.26 -4.67 105.19 105.65 1t2m n GLY 92 Ca -0.05 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32