#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 -3.79 -4.24 2.12 0.00 -1.26 -4.98 118.16 106.01 1t2m n LYS 2 Ca 0.00 0.78 -0.20 0.00 0.00 0.00 0.00 58.31 58.89 1t2m n LYS 2 Cb 0.00 -5.55 -0.12 0.00 0.00 0.00 0.00 35.03 29.36 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 -5.61 1.02 1.19 1.64 2.02 -1.26 -4.96 118.70 112.74 1t2m s GLU 3 Ca 0.25 -1.17 -0.16 0.00 0.02 0.00 0.00 54.97 53.91 1t2m s GLU 3 Cb -0.12 -1.04 0.28 0.00 0.10 0.00 0.00 34.13 33.35 1t2m s GLU 3 CO 0.31 0.22 1.04 -1.25 0.02 0.00 0.00 175.26 175.60 1t2m s PRO 4 N -2.27 -1.13 -0.94 0.39 0.04 -1.26 -4.94 135.00 124.89 1t2m s PRO 4 Ca 0.06 0.39 -0.19 0.00 0.04 0.00 0.00 61.00 61.30 1t2m s PRO 4 Cb -0.07 -1.57 0.13 0.00 0.04 0.00 0.00 34.50 33.03 1t2m s PRO 4 CO 0.03 -3.75 1.14 -2.00 0.04 0.00 0.00 177.00 172.47 1t2m s GLU 5 N -4.93 3.62 -0.44 4.56 2.12 -1.26 -4.94 118.70 117.44 1t2m s GLU 5 Ca 0.68 -1.79 -0.25 0.00 0.36 0.00 0.00 54.97 53.97 1t2m s GLU 5 Cb -0.18 -4.93 0.02 0.00 0.26 0.00 0.00 34.13 29.31 1t2m s GLU 5 CO 0.60 -1.78 0.91 0.42 -0.54 0.00 0.00 175.26 174.87 1t2m s ILE 6 N 2.66 4.52 0.00 -3.70 -1.09 -1.26 -2.76 121.20 119.57 1t2m s ILE 6 Ca 0.33 0.81 0.04 0.00 -2.23 0.00 0.00 60.65 59.61 1t2m s ILE 6 Cb -0.05 -4.40 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1t2m s ILE 6 CO -0.09 -0.76 -0.14 0.27 -1.23 0.00 0.00 174.94 172.99 1t2m s ILE 7 N 3.65 1.10 -0.06 2.92 -4.36 -0.28 -4.94 121.20 119.23 1t2m s ILE 7 Ca 0.36 -0.70 -0.01 0.00 -0.26 0.00 0.00 60.65 60.04 1t2m s ILE 7 Cb -0.11 -0.94 -0.03 0.00 1.25 0.00 0.00 42.46 42.63 1t2m s ILE 7 CO 0.24 0.23 0.01 0.28 0.24 0.00 0.00 174.94 175.94 1t2m s THR 8 N -0.47 4.36 -0.11 8.37 -1.32 -1.26 0.78 115.64 125.99 1t2m s THR 8 Ca 0.04 -0.33 0.03 0.00 -1.21 0.00 0.00 61.69 60.23 1t2m s THR 8 Cb -0.06 -2.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1t2m s THR 8 CO -0.00 0.53 -0.22 0.54 -2.21 0.00 0.00 174.62 173.25 1t2m s VAL 9 N -0.97 2.14 -0.87 5.08 0.11 -0.89 -4.88 120.40 120.13 1t2m s VAL 9 Ca 0.16 -0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 58.00 1t2m s VAL 9 Cb -0.11 -1.83 0.06 0.00 -1.53 0.00 0.00 36.38 32.96 1t2m s VAL 9 CO 0.05 0.55 1.27 -0.89 -3.33 0.00 0.00 175.10 172.75 1t2m s THR 10 N 0.49 4.07 0.28 5.04 2.01 -1.26 -2.53 115.64 123.73 1t2m s THR 10 Ca -0.15 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1t2m s THR 10 Cb -0.17 -4.91 -0.05 0.00 0.01 0.00 0.00 72.50 67.38 1t2m s THR 10 CO 0.05 -1.76 0.52 -0.76 -0.69 0.00 0.00 174.62 171.98 1t2m s LEU 11 N 4.66 4.08 -0.28 4.42 1.43 0.27 -4.90 118.68 128.36 1t2m s LEU 11 Ca 0.37 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1t2m s LEU 11 Cb -0.06 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.78 1t2m s LEU 11 CO 0.01 -0.18 -0.06 -0.75 0.23 0.00 0.00 176.35 175.60 1t2m s LYS 12 N -3.62 2.39 -0.11 1.70 2.47 -1.26 -0.96 119.74 120.35 1t2m s LYS 12 Ca 0.42 -1.27 -0.32 0.00 -1.56 0.00 0.00 55.97 53.24 1t2m s LYS 12 Cb -0.11 -3.03 -0.09 0.00 -1.46 0.00 0.00 37.83 33.14 1t2m s LYS 12 CO 0.31 -0.58 2.02 1.17 0.16 0.00 0.00 175.35 178.43 1t2m n LYS 13 N 4.54 2.21 -0.06 4.03 4.81 0.18 -4.65 118.16 129.23 1t2m n LYS 13 Ca -0.14 0.76 -0.20 0.00 -0.87 0.00 0.00 58.31 57.86 1t2m n LYS 13 Cb 0.43 -2.86 -0.13 0.00 0.02 0.00 0.00 35.03 32.49 1t2m n LYS 13 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1t2m h GLN 14 N 11.25 0.09 0.00 1.64 1.08 -1.97 -3.45 115.11 123.74 1t2m h GLN 14 Ca -0.45 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 56.47 1t2m h GLN 14 Cb 1.26 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 28.64 1t2m h GLN 14 CO 0.96 1.07 -0.18 -1.71 -0.95 0.00 0.00 178.83 178.02 1t2m n ASN 15 N -4.29 -1.17 0.00 1.46 5.15 -1.26 -5.15 115.26 110.01 1t2m n ASN 15 Ca -0.25 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 1t2m n ASN 15 Cb 0.72 0.61 0.00 0.00 -0.53 0.00 0.00 39.78 40.58 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 -0.95 0.55 2.70 8.20 0.00 -1.26 -5.02 105.19 109.42 1t2m n GLY 16 Ca -0.12 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 1t2m n GLY 16 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t2m s MET 17 N -0.75 0.62 -1.14 1.61 -1.94 -1.26 -4.83 119.30 111.61 1t2m s MET 17 Ca 0.00 -0.93 -0.10 0.00 -1.71 0.00 0.00 55.69 52.95 1t2m s MET 17 Cb 0.00 -1.85 0.26 0.00 2.01 0.00 0.00 34.83 35.25 1t2m s MET 17 CO 0.00 -0.96 1.18 0.41 -0.01 0.00 0.00 175.02 175.63 1t2m n GLY 18 N 4.93 4.08 3.01 -0.03 0.00 -1.26 -4.96 105.19 110.96 1t2m n GLY 18 Ca -0.03 -2.49 -0.13 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.81 0.27 -0.71 0.99 1.02 -1.26 -0.62 118.68 117.57 1t2m s LEU 19 Ca 0.33 0.49 -0.24 0.00 0.02 0.00 0.00 54.13 54.74 1t2m s LEU 19 Cb -0.09 0.64 0.06 0.00 0.02 0.00 0.00 46.19 46.83 1t2m s LEU 19 CO -0.07 -0.18 1.09 -0.44 0.02 0.00 0.00 176.35 176.77 1t2m s SER 20 N 1.56 6.20 0.58 2.29 0.01 -0.11 -4.96 113.70 119.27 1t2m s SER 20 Ca -0.06 -0.88 0.05 0.00 1.31 0.00 0.00 55.95 56.37 1t2m s SER 20 Cb -0.11 -2.47 0.08 0.00 0.21 0.00 0.00 66.02 63.73 1t2m s SER 20 CO -0.08 -1.56 0.81 0.27 0.41 0.00 0.00 173.24 173.09 1t2m s ILE 21 N 4.57 2.38 -0.09 1.44 -4.36 -1.26 -0.26 121.20 123.63 1t2m s ILE 21 Ca 0.27 -0.83 -0.30 0.00 -0.26 0.00 0.00 60.65 59.54 1t2m s ILE 21 Cb -0.13 -2.55 0.07 0.00 1.25 0.00 0.00 42.46 41.10 1t2m s ILE 21 CO 0.10 0.00 0.68 0.54 0.24 0.00 0.00 174.94 176.50 1t2m s VAL 22 N -2.76 0.00 -0.24 8.37 0.11 -0.78 -4.80 120.40 120.30 1t2m s VAL 22 Ca 0.61 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.55 1t2m s VAL 22 Cb -0.07 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1t2m s VAL 22 CO 0.39 -0.00 0.15 0.00 -3.33 0.00 0.00 175.10 172.31 1t2m s ALA 23 N -0.93 3.55 0.36 1.54 0.00 -1.26 0.30 121.76 125.33 1t2m s ALA 23 Ca -0.09 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1t2m s ALA 23 Cb -0.01 -2.28 0.06 0.00 0.00 0.00 0.00 23.12 20.89 1t2m s ALA 23 CO 0.08 -0.21 0.74 0.00 0.00 0.00 0.00 175.76 176.38 1t2m n ALA 24 N 4.32 -1.68 -2.53 0.00 0.00 -0.87 -4.92 120.51 114.82 1t2m n ALA 24 Ca -0.15 -1.16 -0.24 0.00 0.00 0.00 0.00 53.44 51.89 1t2m n ALA 24 Cb 0.52 0.92 -0.08 0.00 0.00 0.00 0.00 19.45 20.81 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 -2.08 2.16 0.00 0.00 2.36 -1.26 -2.24 119.74 118.68 1t2m s LYS 25 Ca 0.15 -1.69 0.00 0.00 -2.55 0.00 0.00 55.97 51.88 1t2m s LYS 25 Cb -0.04 -2.00 0.00 0.00 -1.05 0.00 0.00 37.83 34.74 1t2m s LYS 25 CO 0.11 0.13 0.00 0.41 1.55 0.00 0.00 175.35 177.55 1t2m n GLY 26 N -1.01 4.26 3.72 5.54 0.00 -1.26 -5.06 105.19 111.38 1t2m n GLY 26 Ca -0.04 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.33 3.45 -2.16 4.61 0.00 -1.26 -4.52 121.76 120.54 1t2m s ALA 27 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1t2m s ALA 27 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1t2m s ALA 27 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1t2m n GLY 28 N -1.11 1.94 0.00 0.00 0.00 -1.26 -4.92 105.19 99.84 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 -2.34 2.46 -0.27 1.61 -0.06 -1.26 -5.00 117.38 112.52 1t2m n GLN 29 Ca -0.20 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 -0.73 -0.02 -0.42 1.69 -0.08 -1.26 -5.05 116.55 110.68 1t2m n ASP 30 Ca 0.00 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 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 -3.86 -0.67 4.76 -1.26 -5.06 118.16 112.07 1t2m n LYS 31 Ca -0.01 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.08 1t2m n LYS 31 Cb 0.26 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.32 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 4.41 0.00 -0.35 1.02 -1.26 -4.60 118.68 117.90 1t2m s LEU 32 Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 54.13 52.63 1t2m s LEU 32 Cb 0.00 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.48 1t2m s LEU 32 CO 0.00 -0.36 0.23 0.61 0.02 0.00 0.00 176.35 176.85 1t2m n GLY 33 N 4.61 2.12 3.93 -3.19 0.00 -0.95 -0.44 105.19 111.27 1t2m n GLY 33 Ca -0.09 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.48 1t2m n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t2m s ILE 34 N -0.27 5.32 0.16 -0.61 -1.09 -1.05 -2.06 121.20 121.61 1t2m s ILE 34 Ca 0.18 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 1t2m s ILE 34 Cb -0.01 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1t2m s ILE 34 CO 0.11 -0.02 0.00 -0.31 -1.23 0.00 0.00 174.94 173.50 1t2m s TYR 35 N -1.67 1.16 -0.33 3.97 1.51 0.15 0.10 117.35 122.24 1t2m s TYR 35 Ca 0.36 -1.03 -0.12 0.00 -1.01 0.00 0.00 57.07 55.27 1t2m s TYR 35 Cb -0.12 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1t2m s TYR 35 CO 0.28 -0.24 0.20 0.08 -1.11 0.00 0.00 175.55 174.77 1t2m s VAL 36 N -3.69 5.03 -0.20 0.71 1.01 0.63 -1.87 120.40 122.02 1t2m s VAL 36 Ca 0.23 -0.27 0.12 0.00 0.00 0.00 0.00 61.98 62.07 1t2m s VAL 36 Cb 0.06 -3.56 -0.21 0.00 0.00 0.00 0.00 36.38 32.67 1t2m s VAL 36 CO 0.03 0.04 -0.02 1.17 0.00 0.00 0.00 175.10 176.32 1t2m n LYS 37 N 5.06 0.84 -3.51 2.72 4.81 0.65 0.82 118.16 129.55 1t2m n LYS 37 Ca -0.13 0.04 -0.09 0.00 -0.87 0.00 0.00 58.31 57.25 1t2m n LYS 37 Cb 0.50 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 1t2m n LYS 37 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1t2m s SER 38 N -5.61 -0.42 -0.12 3.14 0.15 -0.91 -4.54 113.70 105.38 1t2m s SER 38 Ca -0.16 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.41 1t2m s SER 38 Cb 0.06 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1t2m s SER 38 CO 0.70 -0.80 0.02 -0.69 1.20 0.00 0.00 173.24 173.67 1t2m s VAL 39 N -3.40 0.37 0.25 4.45 1.01 -1.26 -0.94 120.40 120.89 1t2m s VAL 39 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1t2m s VAL 39 Cb -0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.58 1t2m s VAL 39 CO -0.09 0.05 1.32 -0.69 0.00 0.00 0.00 175.10 175.69 1t2m s VAL 40 N 1.95 2.99 0.43 2.92 1.01 0.21 -4.97 120.40 124.96 1t2m s VAL 40 Ca 0.03 0.88 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1t2m s VAL 40 Cb -0.14 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1t2m s VAL 40 CO -0.06 0.16 1.19 -0.54 0.00 0.00 0.00 175.10 175.84 1t2m s LYS 41 N -0.73 3.87 0.00 2.72 3.01 -1.26 -3.23 119.74 124.12 1t2m s LYS 41 Ca 0.54 1.86 0.00 0.00 -1.01 0.00 0.00 55.97 57.36 1t2m s LYS 41 Cb -0.38 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 33.90 1t2m s LYS 41 CO 0.43 -0.48 0.00 0.41 0.51 0.00 0.00 175.35 176.22 1t2m n GLY 42 N 0.55 3.29 3.63 -3.33 0.00 -1.26 -5.06 105.19 103.02 1t2m n GLY 42 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.67 1.58 0.18 -0.02 0.00 -1.20 -4.82 107.32 100.37 1t2m s GLY 43 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 1t2m s GLY 43 CO 0.00 0.05 1.53 0.00 0.00 0.00 0.00 173.10 174.68 1t2m h ALA 44 N -2.30 0.71 -0.16 3.20 0.00 -1.88 -2.40 119.26 116.42 1t2m h ALA 44 Ca -0.49 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 53.77 1t2m h ALA 44 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t2m h ALA 44 CO 0.44 0.67 -0.68 0.00 0.00 0.00 0.00 179.25 179.68 1t2m h ALA 45 N 0.94 0.50 -0.05 0.00 0.00 -1.92 -2.56 119.26 116.17 1t2m h ALA 45 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1t2m h ALA 45 Cb 0.97 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1t2m h ALA 45 CO 0.09 0.71 -0.02 0.22 0.00 0.00 0.00 179.25 180.25 1t2m h ASP 46 N 0.47 0.10 0.08 0.00 3.58 -1.79 -2.74 116.42 116.12 1t2m h ASP 46 Ca -0.02 -0.39 -0.04 0.00 0.42 0.00 0.00 57.03 57.00 1t2m h ASP 46 Cb 1.27 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1t2m h ASP 46 CO 0.13 0.46 -0.14 0.58 -2.88 0.00 0.00 179.24 177.39 1t2m h VAL 47 N -0.26 1.15 0.46 2.25 2.07 -1.51 -3.12 116.25 117.29 1t2m h VAL 47 Ca 0.01 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1t2m h VAL 47 Cb 0.42 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1t2m h VAL 47 CO 0.01 0.21 -0.22 -0.78 0.02 0.00 0.00 177.57 176.80 1t2m h ASP 48 N 0.13 -0.53 -0.11 0.57 3.58 -1.38 -3.48 116.42 115.20 1t2m h ASP 48 Ca 0.03 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1t2m h ASP 48 Cb 0.34 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1t2m h ASP 48 CO 0.02 -0.21 0.00 0.61 -2.88 0.00 0.00 179.24 176.78 1t2m n GLY 49 N -0.69 0.96 1.20 -0.78 0.00 -1.04 -4.99 105.19 99.85 1t2m n GLY 49 Ca -0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.89 2.14 -3.72 1.61 5.12 -1.26 -5.01 116.66 114.65 1t2m n ARG 50 Ca 0.00 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.83 1t2m n ARG 50 Cb 0.32 -1.86 -0.00 0.00 -1.16 0.00 0.00 32.46 29.76 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 -3.15 -0.07 0.25 0.55 0.05 -1.26 -4.98 118.68 110.06 1t2m s LEU 51 Ca 0.45 -0.26 -0.22 0.00 0.05 0.00 0.00 54.13 54.15 1t2m s LEU 51 Cb 0.40 1.63 0.04 0.00 -2.05 0.00 0.00 46.19 46.21 1t2m s LEU 51 CO 0.03 -0.51 0.83 0.00 -0.55 0.00 0.00 176.35 176.14 1t2m s ALA 52 N -2.56 -1.33 0.29 1.48 0.00 -1.26 -5.02 121.76 113.36 1t2m s ALA 52 Ca 0.16 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 1t2m s ALA 52 Cb 0.02 0.76 -0.10 0.00 0.00 0.00 0.00 23.12 23.79 1t2m s ALA 52 CO -0.01 -1.04 1.44 0.00 0.00 0.00 0.00 175.76 176.15 1t2m s ALA 53 N -3.43 3.61 0.00 0.00 0.00 -1.26 -3.89 121.76 116.79 1t2m s ALA 53 Ca 0.13 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1t2m s ALA 53 Cb -0.04 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1t2m s ALA 53 CO 0.06 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1t2m n GLY 54 N 1.63 0.51 3.51 0.00 0.00 0.24 -4.98 105.19 106.10 1t2m n GLY 54 Ca 0.05 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.93 2.81 0.45 1.61 1.01 -1.08 -4.82 116.67 114.72 1t2m s ASP 55 Ca 0.00 -1.72 0.05 0.00 0.71 0.00 0.00 52.55 51.59 1t2m s ASP 55 Cb 0.00 0.58 -0.05 0.00 1.01 0.00 0.00 42.92 44.46 1t2m s ASP 55 CO 0.00 -0.98 0.06 -1.58 0.21 0.00 0.00 175.17 172.87 1t2m s GLN 56 N -3.66 2.09 -0.20 8.23 0.74 -1.01 -0.27 119.66 125.59 1t2m s GLN 56 Ca 0.23 -2.16 -0.06 0.00 0.05 0.00 0.00 55.36 53.43 1t2m s GLN 56 Cb 0.02 -1.69 0.09 0.00 1.10 0.00 0.00 33.01 32.53 1t2m s GLN 56 CO 0.16 -0.19 0.40 -0.51 -0.55 0.00 0.00 175.29 174.60 1t2m s LEU 57 N -3.83 -0.62 -0.08 3.68 1.43 0.28 -1.94 118.68 117.60 1t2m s LEU 57 Ca 0.27 0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1t2m s LEU 57 Cb 0.06 1.28 -0.02 0.00 0.03 0.00 0.00 46.19 47.54 1t2m s LEU 57 CO 0.14 -0.24 -0.11 -0.11 0.23 0.00 0.00 176.35 176.27 1t2m n LEU 58 N 5.39 1.08 -4.28 1.79 -0.00 -0.14 -2.53 117.00 118.31 1t2m n LEU 58 Ca -0.08 0.48 -0.22 0.00 -0.00 0.00 0.00 56.01 56.18 1t2m n LEU 58 Cb 0.49 -0.72 -0.12 0.00 -0.00 0.00 0.00 43.42 43.07 1t2m n LEU 58 CO 0.01 -0.48 -0.50 -0.44 -0.00 0.00 0.00 177.39 175.98 1t2m s SER 59 N -4.84 2.42 -0.09 1.96 0.01 -1.26 -2.22 113.70 109.68 1t2m s SER 59 Ca -0.09 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.43 1t2m s SER 59 Cb 0.01 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.15 1t2m s SER 59 CO 0.13 0.01 0.01 -0.69 0.41 0.00 0.00 173.24 173.11 1t2m s VAL 60 N -1.45 0.35 -1.40 3.43 1.01 -0.41 -0.87 120.40 121.07 1t2m s VAL 60 Ca 0.08 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1t2m s VAL 60 Cb -0.09 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1t2m s VAL 60 CO 0.04 0.17 1.13 -0.67 0.00 0.00 0.00 175.10 175.77 1t2m n ASP 61 N 5.15 -5.89 -1.02 3.32 2.03 0.14 -1.78 116.55 118.49 1t2m n ASP 61 Ca -0.07 -0.60 -0.09 0.00 0.52 0.00 0.00 54.79 54.55 1t2m n ASP 61 Cb 0.50 -4.75 -0.01 0.00 -0.72 0.00 0.00 41.12 36.13 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 -1.92 0.08 3.26 0.27 0.00 -1.26 -4.96 105.19 100.67 1t2m n GLY 62 Ca 0.01 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.31 1.49 -0.25 1.61 0.52 -0.73 -5.12 118.95 112.15 1t2m s ARG 63 Ca 0.00 -0.95 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 1t2m s ARG 63 Cb 0.00 -1.59 -0.02 0.00 0.52 0.00 0.00 34.95 33.85 1t2m s ARG 63 CO 0.00 0.41 0.56 -1.12 0.02 0.00 0.00 175.30 175.17 1t2m s SER 64 N -1.11 6.51 0.00 0.23 0.01 -1.26 -1.29 113.70 116.79 1t2m s SER 64 Ca 0.08 0.62 0.09 0.00 1.31 0.00 0.00 55.95 58.06 1t2m s SER 64 Cb -0.09 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1t2m s SER 64 CO 0.02 -0.30 0.57 0.18 0.41 0.00 0.00 173.24 174.11 1t2m n LEU 65 N 5.47 1.03 -3.87 2.44 4.32 -0.94 -4.80 117.00 120.65 1t2m n LEU 65 Ca -0.03 -0.71 -0.42 0.00 -0.02 0.00 0.00 56.01 54.83 1t2m n LEU 65 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1t2m n LEU 65 CO 0.42 0.21 2.44 0.55 -1.22 0.00 0.00 177.39 179.79 1t2m n VAL 66 N -0.45 3.69 0.00 4.08 3.14 -1.22 -3.47 118.33 124.10 1t2m n VAL 66 Ca 0.03 -3.43 0.00 0.00 -2.96 0.00 0.00 64.34 57.98 1t2m n VAL 66 Cb 0.19 -2.53 0.00 0.00 -1.06 0.00 0.00 33.84 30.44 1t2m n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t2m n GLY 67 N 4.00 0.00 3.77 7.55 0.00 0.41 -4.40 105.19 116.53 1t2m n GLY 67 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 0.10 0.68 0.99 0.05 -1.00 -4.88 118.68 114.61 1t2m s LEU 68 Ca 0.00 -1.13 0.04 0.00 0.05 0.00 0.00 54.13 53.09 1t2m s LEU 68 Cb 0.00 2.67 0.12 0.00 -2.05 0.00 0.00 46.19 46.93 1t2m s LEU 68 CO 0.00 -1.61 0.93 -0.55 -0.55 0.00 0.00 176.35 174.57 1t2m s SER 69 N -3.07 4.58 0.35 1.48 0.15 -1.26 -4.66 113.70 111.26 1t2m s SER 69 Ca 0.17 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 56.20 1t2m s SER 69 Cb -0.05 0.26 0.63 0.00 -1.71 0.00 0.00 66.02 65.16 1t2m s SER 69 CO 0.12 -1.72 1.96 -0.61 1.20 0.00 0.00 173.24 174.19 1t2m h GLN 70 N -0.28 0.70 -0.08 5.44 4.15 -1.94 -2.50 115.11 120.60 1t2m h GLN 70 Ca -0.32 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.05 1t2m h GLN 70 Cb 1.27 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1t2m h GLN 70 CO 0.39 0.55 -0.18 0.93 -1.93 0.00 0.00 178.83 178.59 1t2m h GLU 71 N 0.70 -0.24 -0.69 1.69 5.08 -2.00 -0.35 114.58 118.78 1t2m h GLU 71 Ca 0.18 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1t2m h GLU 71 Cb 0.08 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1t2m h GLU 71 CO -0.02 -0.16 0.32 0.00 -1.00 0.00 0.00 179.01 178.14 1t2m h ARG 72 N -0.25 1.01 0.33 2.33 2.47 -1.90 -1.45 114.38 116.92 1t2m h ARG 72 Ca 0.08 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1t2m h ARG 72 Cb 0.37 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 1t2m h ARG 72 CO -0.23 0.81 -0.33 0.00 0.56 0.00 0.00 179.97 180.78 1t2m h ALA 73 N 1.15 -0.71 -0.86 0.04 0.00 -0.97 0.27 119.26 118.19 1t2m h ALA 73 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t2m h ALA 73 Cb 0.15 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1t2m h ALA 73 CO -0.03 -0.93 0.55 0.00 0.00 0.00 0.00 179.25 178.84 1t2m h ALA 74 N -0.18 1.09 0.00 0.00 0.00 -1.03 -1.65 119.26 117.49 1t2m h ALA 74 Ca -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1t2m h ALA 74 Cb 0.63 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1t2m h ALA 74 CO -0.07 0.51 -0.28 1.49 0.00 0.00 0.00 179.25 180.90 1t2m h GLU 75 N 1.17 0.00 -0.01 0.00 4.81 -0.96 -0.77 114.58 118.82 1t2m h GLU 75 Ca 0.31 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.34 1t2m h GLU 75 Cb -0.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1t2m h GLU 75 CO -0.07 0.28 -0.87 -0.07 -0.73 0.00 0.00 179.01 177.55 1t2m h LEU 76 N 0.00 0.41 0.11 1.64 3.38 0.41 -2.94 115.31 118.31 1t2m h LEU 76 Ca -0.00 -0.32 -0.30 0.00 0.09 0.00 0.00 57.88 57.36 1t2m h LEU 76 Cb 0.55 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 41.20 1t2m h LEU 76 CO 0.04 1.10 -1.24 0.24 0.09 0.00 0.00 178.44 178.67 1t2m h MET 77 N 0.19 0.58 -0.22 1.13 2.86 -1.01 -3.27 114.93 115.19 1t2m h MET 77 Ca -0.06 -0.78 -0.04 0.00 -2.06 0.00 0.00 59.70 56.76 1t2m h MET 77 Cb 1.49 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 33.40 1t2m h MET 77 CO 0.14 1.35 -0.03 0.00 1.06 0.00 0.00 176.91 179.43 1t2m h THR 78 N 0.25 1.16 -1.19 2.22 1.03 -1.22 -3.11 112.91 112.05 1t2m h THR 78 Ca -0.18 -0.65 -0.69 0.00 -0.01 0.00 0.00 66.41 64.88 1t2m h THR 78 Cb 1.92 1.03 -0.14 0.00 -1.07 0.00 0.00 68.15 69.88 1t2m h THR 78 CO 0.23 0.21 1.87 0.54 -0.01 0.00 0.00 175.52 178.37 1t2m n ARG 79 N -4.32 4.13 -4.70 0.00 1.74 -1.11 -4.93 116.66 107.48 1t2m n ARG 79 Ca 0.00 -3.27 -0.31 0.00 -0.77 0.00 0.00 57.85 53.50 1t2m n ARG 79 Cb 0.22 -2.51 -0.08 0.00 -1.02 0.00 0.00 32.46 29.08 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 -1.60 0.99 0.00 0.55 -4.23 -1.18 -4.97 115.64 105.20 1t2m s THR 80 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1t2m s THR 80 Cb 0.23 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1t2m s THR 80 CO -0.13 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.75 1t2m n SER 81 N -1.29 0.84 0.11 3.99 7.64 -1.26 -5.00 113.62 118.65 1t2m n SER 81 Ca -0.16 -0.72 0.14 0.00 1.01 0.00 0.00 58.87 59.14 1t2m n SER 81 Cb 0.66 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 64.51 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 0.00 0.03 -4.12 6.43 4.64 -1.95 -3.41 113.55 115.17 1t2m h SER 82 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1t2m h SER 82 Cb 0.00 -0.01 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 1t2m h SER 82 CO 0.00 0.02 -0.84 -0.69 -0.87 0.00 0.00 176.83 174.46 1t2m s VAL 83 N -5.07 2.49 -0.06 0.95 1.01 -1.26 0.47 120.40 118.93 1t2m s VAL 83 Ca -0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1t2m s VAL 83 Cb 0.18 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1t2m s VAL 83 CO 0.71 0.58 0.15 -0.69 0.00 0.00 0.00 175.10 175.84 1t2m s VAL 84 N -0.43 -0.03 -0.23 2.92 1.01 -0.14 -4.96 120.40 118.54 1t2m s VAL 84 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1t2m s VAL 84 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1t2m s VAL 84 CO 0.01 0.04 0.02 0.42 0.00 0.00 0.00 175.10 175.60 1t2m s THR 85 N 0.67 3.94 -0.23 3.92 -4.23 -1.26 -0.57 115.64 117.88 1t2m s THR 85 Ca -0.05 -0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1t2m s THR 85 Cb -0.07 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.97 1t2m s THR 85 CO -0.03 0.38 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.60 1t2m s LEU 86 N 1.52 3.00 -0.92 4.79 1.02 -1.05 0.24 118.68 127.27 1t2m s LEU 86 Ca 0.06 -0.71 -0.24 0.00 0.02 0.00 0.00 54.13 53.27 1t2m s LEU 86 Cb -0.15 -1.67 0.05 0.00 0.02 0.00 0.00 46.19 44.45 1t2m s LEU 86 CO 0.01 -0.08 1.35 -1.61 0.02 0.00 0.00 176.35 176.04 1t2m s GLU 87 N 1.37 3.47 0.13 1.70 2.02 -0.04 -2.10 118.70 125.24 1t2m s GLU 87 Ca 0.02 -0.94 -0.20 0.00 0.02 0.00 0.00 54.97 53.87 1t2m s GLU 87 Cb -0.16 -4.96 -0.07 0.00 0.10 0.00 0.00 34.13 29.04 1t2m s GLU 87 CO -0.05 -2.13 0.64 0.54 0.02 0.00 0.00 175.26 174.27 1t2m s VAL 88 N 4.91 4.64 -0.09 2.63 0.11 0.23 -0.97 120.40 131.87 1t2m s VAL 88 Ca 0.41 1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 60.74 1t2m s VAL 88 Cb -0.03 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 1t2m s VAL 88 CO -0.03 0.46 0.00 0.00 -3.33 0.00 0.00 175.10 172.21 1t2m s ALA 89 N -1.22 3.28 -0.40 1.54 0.00 -0.82 -1.12 121.76 123.02 1t2m s ALA 89 Ca 0.34 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1t2m s ALA 89 Cb -0.19 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1t2m s ALA 89 CO 0.21 0.58 0.26 0.15 0.00 0.00 0.00 175.76 176.96 1t2m s LYS 90 N -0.85 2.86 0.14 0.00 3.01 -1.11 -2.41 119.74 121.37 1t2m s LYS 90 Ca 0.13 -1.12 0.00 0.00 -1.01 0.00 0.00 55.97 53.97 1t2m s LYS 90 Cb -0.11 -3.85 -0.00 0.00 -1.01 0.00 0.00 37.83 32.86 1t2m s LYS 90 CO 0.02 -0.77 0.18 0.00 0.51 0.00 0.00 175.35 175.30 1t2m n GLN 91 N 5.06 0.26 0.00 1.68 0.00 -1.26 -3.98 117.38 119.14 1t2m n GLN 91 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 57.00 55.70 1t2m n GLN 91 Cb 0.46 1.09 0.00 0.00 0.00 0.00 0.00 30.24 31.79 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 -0.24 4.02 0.00 2.61 0.00 -1.26 -4.97 105.19 105.34 1t2m n GLY 92 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32