#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2m s LYS 2 N 0.00 3.40 0.06 0.03 -0.14 -1.26 -5.06 119.74 116.76 1t2m s LYS 2 Ca 0.00 -0.37 0.02 0.00 -1.36 0.00 0.00 55.97 54.25 1t2m s LYS 2 Cb 0.00 -3.88 -0.04 0.00 -1.68 0.00 0.00 37.83 32.23 1t2m s LYS 2 CO 0.00 -0.78 0.10 -1.21 -0.76 0.00 0.00 175.35 172.69 1t2m s GLU 3 N 2.42 3.00 0.00 1.68 2.02 -1.26 -4.85 118.70 121.71 1t2m s GLU 3 Ca 0.18 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1t2m s GLU 3 Cb -0.16 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1t2m s GLU 3 CO 0.15 0.59 0.00 -0.35 0.02 0.00 0.00 175.26 175.67 1t2m n PRO 4 N 0.62 -0.25 -2.18 0.39 -0.04 -1.26 -4.82 135.00 127.46 1t2m n PRO 4 Ca -0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.06 1t2m n PRO 4 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1t2m s GLU 5 N -1.86 2.81 -0.19 0.54 2.12 -1.26 -4.93 118.70 115.93 1t2m s GLU 5 Ca 0.00 -1.07 -0.18 0.00 0.36 0.00 0.00 54.97 54.08 1t2m s GLU 5 Cb 0.00 -5.25 -0.03 0.00 0.26 0.00 0.00 34.13 29.11 1t2m s GLU 5 CO 0.00 -3.45 0.50 0.42 -0.54 0.00 0.00 175.26 172.19 1t2m s ILE 6 N 9.34 5.13 -0.01 -3.70 -1.09 -1.26 -3.13 121.20 126.48 1t2m s ILE 6 Ca 0.65 0.92 0.02 0.00 -2.23 0.00 0.00 60.65 60.01 1t2m s ILE 6 Cb -0.01 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1t2m s ILE 6 CO 0.07 0.21 -0.07 0.27 -1.23 0.00 0.00 174.94 174.19 1t2m s ILE 7 N 1.44 0.55 -0.02 2.92 -4.36 0.15 -4.91 121.20 116.97 1t2m s ILE 7 Ca 0.24 -0.29 -0.12 0.00 -0.26 0.00 0.00 60.65 60.22 1t2m s ILE 7 Cb -0.15 -0.47 -0.05 0.00 1.25 0.00 0.00 42.46 43.04 1t2m s ILE 7 CO 0.09 0.16 0.33 0.28 0.24 0.00 0.00 174.94 176.04 1t2m s THR 8 N -0.13 5.18 -0.15 8.37 -1.32 -1.26 0.28 115.64 126.61 1t2m s THR 8 Ca 0.02 0.59 0.02 0.00 -1.21 0.00 0.00 61.69 61.11 1t2m s THR 8 Cb -0.03 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 67.35 1t2m s THR 8 CO -0.00 0.54 -0.20 0.68 -2.21 0.00 0.00 174.62 173.43 1t2m s VAL 9 N -1.12 2.26 -0.33 5.08 -7.23 -0.79 -4.87 120.40 113.41 1t2m s VAL 9 Ca 0.23 -0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 59.23 1t2m s VAL 9 Cb -0.15 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.88 1t2m s VAL 9 CO 0.12 0.54 0.91 -0.89 -0.31 0.00 0.00 175.10 175.46 1t2m s THR 10 N 0.84 4.65 0.01 5.32 2.01 -1.25 -2.59 115.64 124.63 1t2m s THR 10 Ca -0.06 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.28 1t2m s THR 10 Cb -0.15 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1t2m s THR 10 CO -0.02 -0.40 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.74 1t2m s LEU 11 N 3.30 2.07 0.42 4.42 1.43 0.53 -4.93 118.68 125.94 1t2m s LEU 11 Ca 0.38 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1t2m s LEU 11 Cb -0.13 0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1t2m s LEU 11 CO 0.15 -0.09 0.52 -0.54 0.23 0.00 0.00 176.35 176.63 1t2m s LYS 12 N -0.46 2.73 -0.28 1.70 1.02 -1.26 0.51 119.74 123.70 1t2m s LYS 12 Ca -0.05 -1.34 -0.10 0.00 0.02 0.00 0.00 55.97 54.50 1t2m s LYS 12 Cb -0.03 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1t2m s LYS 12 CO -0.00 -0.27 0.17 0.15 -0.92 0.00 0.00 175.35 174.48 1t2m s LYS 13 N -4.30 3.87 -0.16 1.68 1.02 -1.05 -4.83 119.74 115.96 1t2m s LYS 13 Ca 0.53 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1t2m s LYS 13 Cb -0.08 -3.60 -0.11 0.00 -0.52 0.00 0.00 37.83 33.52 1t2m s LYS 13 CO 0.32 -0.20 -0.15 0.00 -0.92 0.00 0.00 175.35 174.40 1t2m n GLN 14 N 5.04 0.41 -1.53 1.68 0.00 -1.26 -4.84 117.38 116.87 1t2m n GLN 14 Ca -0.14 0.10 -0.03 0.00 0.00 0.00 0.00 57.00 56.93 1t2m n GLN 14 Cb 0.52 -1.32 -0.01 0.00 0.00 0.00 0.00 30.24 29.44 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 -3.02 -0.31 0.00 2.61 0.23 -1.26 -5.15 115.26 108.36 1t2m n ASN 15 Ca -0.29 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.72 1t2m n ASN 15 Cb 0.80 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.63 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 -0.14 0.87 3.07 4.83 0.00 -1.26 -4.93 105.19 107.63 1t2m n GLY 16 Ca -0.14 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.24 2.02 -1.39 1.61 -1.94 -1.26 -4.02 119.30 113.08 1t2m s MET 17 Ca 0.00 -2.09 -0.14 0.00 -1.71 0.00 0.00 55.69 51.75 1t2m s MET 17 Cb 0.00 -3.51 0.07 0.00 2.01 0.00 0.00 34.83 33.41 1t2m s MET 17 CO 0.00 -1.07 2.05 0.41 -0.01 0.00 0.00 175.02 176.40 1t2m n GLY 18 N 4.09 4.13 2.65 -0.03 0.00 -1.26 -4.86 105.19 109.90 1t2m n GLY 18 Ca 0.02 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 1t2m n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 19 N 2.10 0.25 -0.68 0.99 1.02 -1.26 -1.17 118.68 119.92 1t2m s LEU 19 Ca 0.47 -0.21 -0.24 0.00 0.02 0.00 0.00 54.13 54.17 1t2m s LEU 19 Cb 0.11 -0.19 0.06 0.00 0.02 0.00 0.00 46.19 46.18 1t2m s LEU 19 CO -0.04 -0.29 1.05 -0.44 0.02 0.00 0.00 176.35 176.65 1t2m s SER 20 N 2.15 6.17 0.88 2.29 0.01 -0.28 -5.00 113.70 119.91 1t2m s SER 20 Ca 0.04 -0.84 -0.13 0.00 1.31 0.00 0.00 55.95 56.32 1t2m s SER 20 Cb -0.14 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 63.78 1t2m s SER 20 CO -0.05 -1.54 1.23 0.27 0.41 0.00 0.00 173.24 173.55 1t2m s ILE 21 N 4.49 2.03 -0.16 1.44 -4.36 -1.26 -1.55 121.20 121.84 1t2m s ILE 21 Ca 0.25 -0.07 -0.26 0.00 -0.26 0.00 0.00 60.65 60.32 1t2m s ILE 21 Cb -0.15 -2.97 0.07 0.00 1.25 0.00 0.00 42.46 40.66 1t2m s ILE 21 CO 0.12 0.00 0.66 0.54 0.24 0.00 0.00 174.94 176.50 1t2m s VAL 22 N -3.69 0.00 -0.22 8.37 0.11 -0.18 -4.68 120.40 120.11 1t2m s VAL 22 Ca 0.68 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.64 1t2m s VAL 22 Cb -0.07 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1t2m s VAL 22 CO 0.50 -0.01 0.08 0.00 -3.33 0.00 0.00 175.10 172.34 1t2m s ALA 23 N -0.35 3.29 0.37 1.54 0.00 -1.26 0.25 121.76 125.60 1t2m s ALA 23 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1t2m s ALA 23 Cb -0.03 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 21.10 1t2m s ALA 23 CO 0.05 -0.21 0.70 0.00 0.00 0.00 0.00 175.76 176.31 1t2m n ALA 24 N 4.34 -1.43 -2.51 0.00 0.00 -0.85 -4.86 120.51 115.20 1t2m n ALA 24 Ca -0.16 -1.30 -0.20 0.00 0.00 0.00 0.00 53.44 51.78 1t2m n ALA 24 Cb 0.52 1.04 -0.01 0.00 0.00 0.00 0.00 19.45 21.00 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 -2.23 3.02 0.00 0.00 1.02 -1.26 -1.83 119.74 118.46 1t2m s LYS 25 Ca 0.18 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1t2m s LYS 25 Cb -0.04 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1t2m s LYS 25 CO 0.13 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 1t2m n GLY 26 N -1.55 4.92 3.62 -3.33 0.00 -1.26 -4.99 105.19 102.61 1t2m n GLY 26 Ca -0.01 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.65 3.09 -1.88 4.61 0.00 -1.26 -4.47 121.76 120.20 1t2m s ALA 27 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1t2m s ALA 27 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1t2m s ALA 27 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1t2m n GLY 28 N 0.08 1.69 2.75 0.00 0.00 -1.26 -4.92 105.19 103.53 1t2m n GLY 28 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.49 0.16 -0.25 1.61 -0.44 -1.26 -4.19 119.66 111.81 1t2m s GLN 29 Ca 0.00 0.21 0.07 0.00 -2.50 0.00 0.00 55.36 53.14 1t2m s GLN 29 Cb 0.00 -1.19 0.54 0.00 -1.64 0.00 0.00 33.01 30.72 1t2m s GLN 29 CO 0.00 -0.62 1.53 -3.47 0.50 0.00 0.00 175.29 173.23 1t2m n ASP 30 N 5.32 4.01 0.00 6.67 2.03 -1.26 -4.29 116.55 129.02 1t2m n ASP 30 Ca -0.06 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1t2m n ASP 30 Cb 0.49 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.10 3.06 -3.71 -0.67 4.76 -1.26 -5.10 118.16 115.14 1t2m n LYS 31 Ca 0.31 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.49 1t2m n LYS 31 Cb 1.14 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 34.16 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 0.82 0.54 -0.35 2.96 -1.26 -4.59 118.68 116.79 1t2m s LEU 32 Ca 0.00 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1t2m s LEU 32 Cb 0.00 -0.46 0.06 0.00 0.50 0.00 0.00 46.19 46.29 1t2m s LEU 32 CO 0.00 -0.29 0.62 -0.83 -1.32 0.00 0.00 176.35 174.53 1t2m s GLY 33 N 1.96 1.97 0.14 7.98 0.00 -0.76 -1.66 107.32 116.95 1t2m s GLY 33 Ca 0.01 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 1t2m s GLY 33 CO -0.07 -1.74 0.34 -0.42 0.00 0.00 0.00 173.10 171.20 1t2m s ILE 34 N -2.65 5.24 0.04 0.90 -1.09 -1.03 -2.00 121.20 120.60 1t2m s ILE 34 Ca 0.52 -0.21 -0.01 0.00 -2.23 0.00 0.00 60.65 58.72 1t2m s ILE 34 Cb -0.05 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1t2m s ILE 34 CO 0.32 -0.00 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.70 1t2m s TYR 35 N -1.69 0.41 -0.62 3.97 2.02 0.14 0.89 117.35 122.46 1t2m s TYR 35 Ca 0.39 -0.85 -0.21 0.00 -0.37 0.00 0.00 57.07 56.03 1t2m s TYR 35 Cb -0.12 -0.30 0.08 0.00 -0.40 0.00 0.00 41.96 41.22 1t2m s TYR 35 CO 0.27 -0.32 0.85 0.08 -1.57 0.00 0.00 175.55 174.86 1t2m s VAL 36 N -3.03 4.53 0.10 0.71 1.01 0.79 -1.01 120.40 123.50 1t2m s VAL 36 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1t2m s VAL 36 Cb 0.01 -4.59 -0.18 0.00 0.00 0.00 0.00 36.38 31.63 1t2m s VAL 36 CO -0.07 -1.29 1.28 0.50 0.00 0.00 0.00 175.10 175.52 1t2m h LYS 37 N 9.39 0.69 -1.96 2.72 3.64 -1.56 0.67 116.57 130.17 1t2m h LYS 37 Ca -0.29 -0.63 0.18 0.00 -1.27 0.00 0.00 60.65 58.64 1t2m h LYS 37 Cb 1.08 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 1t2m h LYS 37 CO 1.14 1.24 0.62 -1.12 -2.27 0.00 0.00 179.45 179.06 1t2m s SER 38 N -7.16 -0.24 -0.23 4.20 0.01 -1.12 -4.32 113.70 104.85 1t2m s SER 38 Ca -0.09 -0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 1t2m s SER 38 Cb 0.08 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.67 1t2m s SER 38 CO 0.90 -0.50 -0.03 -0.69 0.41 0.00 0.00 173.24 173.33 1t2m s VAL 39 N -2.85 1.29 0.10 3.43 1.01 -1.26 -1.12 120.40 120.99 1t2m s VAL 39 Ca 0.08 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.66 1t2m s VAL 39 Cb -0.01 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1t2m s VAL 39 CO -0.06 -0.15 1.56 -0.69 0.00 0.00 0.00 175.10 175.76 1t2m s VAL 40 N 1.50 3.02 0.45 2.92 1.01 -0.32 -4.96 120.40 124.03 1t2m s VAL 40 Ca -0.04 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1t2m s VAL 40 Cb -0.18 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1t2m s VAL 40 CO -0.07 0.02 1.42 -0.75 0.00 0.00 0.00 175.10 175.72 1t2m s LYS 41 N 1.90 3.66 0.00 2.72 2.47 -1.26 -2.75 119.74 126.48 1t2m s LYS 41 Ca 0.70 2.40 0.00 0.00 -1.56 0.00 0.00 55.97 57.51 1t2m s LYS 41 Cb -0.40 -2.63 0.00 0.00 -1.46 0.00 0.00 37.83 33.34 1t2m s LYS 41 CO 0.31 -0.83 0.00 0.41 0.16 0.00 0.00 175.35 175.40 1t2m n GLY 42 N 0.59 1.81 1.45 5.54 0.00 -1.26 -5.06 105.19 108.25 1t2m n GLY 42 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1t2m n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t2m n GLY 43 N -2.00 -1.91 0.08 -0.02 0.00 -1.11 -4.84 105.19 95.38 1t2m n GLY 43 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.10 -0.07 -0.70 4.61 0.00 -1.88 -2.83 119.26 116.29 1t2m h ALA 44 Ca -0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1t2m h ALA 44 Cb 0.48 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1t2m h ALA 44 CO 0.11 -0.26 0.35 0.00 0.00 0.00 0.00 179.25 179.46 1t2m h ALA 45 N 0.27 1.31 -0.06 0.00 0.00 -1.90 -1.66 119.26 117.21 1t2m h ALA 45 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1t2m h ALA 45 Cb 0.55 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1t2m h ALA 45 CO 0.01 0.54 0.02 0.22 0.00 0.00 0.00 179.25 180.04 1t2m h ASP 46 N 0.98 0.09 -0.36 0.00 1.82 -1.84 0.11 116.42 117.22 1t2m h ASP 46 Ca 0.24 -0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.62 1t2m h ASP 46 Cb 0.07 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1t2m h ASP 46 CO -0.04 0.27 0.03 0.58 -1.61 0.00 0.00 179.24 178.47 1t2m h VAL 47 N -0.10 1.22 0.18 2.25 2.07 -1.35 -3.20 116.25 117.33 1t2m h VAL 47 Ca 0.02 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1t2m h VAL 47 Cb 0.21 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1t2m h VAL 47 CO -0.00 0.31 -0.09 0.44 0.02 0.00 0.00 177.57 178.25 1t2m h ASP 48 N 0.67 -0.21 -2.44 0.57 5.19 -1.18 -3.50 116.42 115.52 1t2m h ASP 48 Ca 0.14 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1t2m h ASP 48 Cb 0.38 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1t2m h ASP 48 CO 0.01 0.30 0.00 0.61 -3.12 0.00 0.00 179.24 177.04 1t2m n GLY 49 N 0.40 -0.08 1.23 2.75 0.00 0.35 -5.04 105.19 104.81 1t2m n GLY 49 Ca -0.08 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.82 0.02 -3.98 1.61 1.74 -1.26 -5.11 116.66 108.87 1t2m n ARG 50 Ca 0.00 -1.76 0.02 0.00 -0.77 0.00 0.00 57.85 55.34 1t2m n ARG 50 Cb 0.41 -0.15 0.01 0.00 -1.02 0.00 0.00 32.46 31.71 1t2m n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1t2m s LEU 51 N -0.04 0.01 0.00 0.55 2.34 -1.26 -4.95 118.68 115.33 1t2m s LEU 51 Ca 0.25 -0.26 -0.06 0.00 0.06 0.00 0.00 54.13 54.13 1t2m s LEU 51 Cb 0.29 1.41 0.02 0.00 -0.56 0.00 0.00 46.19 47.35 1t2m s LEU 51 CO -0.13 -0.38 0.45 0.00 -1.06 0.00 0.00 176.35 175.24 1t2m n ALA 52 N -0.88 -0.73 -1.79 1.48 0.00 -1.26 -5.05 120.51 112.28 1t2m n ALA 52 Ca 0.03 -1.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.07 1t2m n ALA 52 Cb 0.59 0.83 -0.05 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.12 3.06 -0.34 0.00 0.00 -1.26 -4.08 121.76 117.03 1t2m s ALA 53 Ca 0.16 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1t2m s ALA 53 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1t2m s ALA 53 CO 0.12 -0.14 0.29 0.41 0.00 0.00 0.00 175.76 176.43 1t2m n GLY 54 N 0.14 0.30 3.79 0.00 0.00 0.23 -4.83 105.19 104.82 1t2m n GLY 54 Ca 0.06 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 4.27 0.34 1.61 1.01 -1.09 -1.20 116.67 118.31 1t2m s ASP 55 Ca 0.04 -1.51 0.08 0.00 0.71 0.00 0.00 52.55 51.87 1t2m s ASP 55 Cb -0.02 0.42 -0.04 0.00 1.01 0.00 0.00 42.92 44.29 1t2m s ASP 55 CO 0.20 -0.89 0.12 -1.58 0.21 0.00 0.00 175.17 173.23 1t2m s GLN 56 N -3.98 2.32 -0.13 8.23 -0.44 -1.01 -0.15 119.66 124.49 1t2m s GLN 56 Ca 0.16 -1.59 -0.06 0.00 -2.50 0.00 0.00 55.36 51.37 1t2m s GLN 56 Cb 0.01 -2.13 0.06 0.00 -1.64 0.00 0.00 33.01 29.31 1t2m s GLN 56 CO 0.09 0.11 0.30 -0.51 0.50 0.00 0.00 175.29 175.78 1t2m s LEU 57 N -3.82 0.01 -0.04 3.68 1.02 0.26 -1.74 118.68 118.04 1t2m s LEU 57 Ca 0.37 0.66 -0.07 0.00 0.02 0.00 0.00 54.13 55.11 1t2m s LEU 57 Cb -0.02 0.91 -0.02 0.00 0.02 0.00 0.00 46.19 47.07 1t2m s LEU 57 CO 0.22 -0.20 -0.14 0.18 0.02 0.00 0.00 176.35 176.43 1t2m n LEU 58 N 4.66 1.10 -4.52 1.79 4.77 -0.20 -2.47 117.00 122.13 1t2m n LEU 58 Ca -0.18 0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1t2m n LEU 58 Cb 0.52 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1t2m n LEU 58 CO 0.08 -0.48 -0.46 -0.44 -1.33 0.00 0.00 177.39 174.77 1t2m s SER 59 N -5.47 4.02 -0.16 -1.43 0.01 -1.26 -2.11 113.70 107.31 1t2m s SER 59 Ca -0.12 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1t2m s SER 59 Cb 0.02 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.69 1t2m s SER 59 CO 0.17 0.14 0.00 -0.69 0.41 0.00 0.00 173.24 173.27 1t2m s VAL 60 N -1.46 0.67 -1.50 3.43 1.01 -0.17 -1.17 120.40 121.19 1t2m s VAL 60 Ca 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1t2m s VAL 60 Cb -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1t2m s VAL 60 CO 0.13 -0.00 0.75 -0.67 0.00 0.00 0.00 175.10 175.30 1t2m n ASP 61 N 5.02 -6.06 0.00 3.32 -0.08 0.79 -1.33 116.55 118.21 1t2m n ASP 61 Ca -0.09 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1t2m n ASP 61 Cb 0.48 -4.87 0.00 0.00 2.34 0.00 0.00 41.12 39.07 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t2m n GLY 62 N -1.63 2.35 3.78 0.27 0.00 -1.26 -4.87 105.19 103.84 1t2m n GLY 62 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.43 4.59 -0.02 1.61 0.52 -0.44 -5.05 118.95 119.72 1t2m s ARG 63 Ca 0.00 1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 56.35 1t2m s ARG 63 Cb 0.00 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 1t2m s ARG 63 CO 0.00 0.32 0.44 -1.54 0.02 0.00 0.00 175.30 174.54 1t2m s SER 64 N -1.57 6.80 -0.39 0.23 1.04 -1.26 -1.00 113.70 117.55 1t2m s SER 64 Ca 0.48 0.95 0.01 0.00 0.48 0.00 0.00 55.95 57.88 1t2m s SER 64 Cb -0.19 -2.27 0.15 0.00 0.10 0.00 0.00 66.02 63.80 1t2m s SER 64 CO 0.24 0.24 0.25 -0.76 0.98 0.00 0.00 173.24 174.19 1t2m s LEU 65 N -0.65 1.42 -0.41 2.42 1.02 -0.90 -4.96 118.68 116.63 1t2m s LEU 65 Ca 0.25 -2.49 0.02 0.00 0.02 0.00 0.00 54.13 51.93 1t2m s LEU 65 Cb -0.17 -0.53 0.15 0.00 0.02 0.00 0.00 46.19 45.66 1t2m s LEU 65 CO 0.13 -0.27 0.26 -0.69 0.02 0.00 0.00 176.35 175.81 1t2m s VAL 66 N 0.68 0.70 0.00 -1.59 1.01 -1.26 -4.62 120.40 115.32 1t2m s VAL 66 Ca 0.21 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1t2m s VAL 66 Cb -0.17 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1t2m s VAL 66 CO -0.04 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.65 1t2m n GLY 67 N 3.51 1.26 3.71 4.51 0.00 -0.66 -4.77 105.19 112.75 1t2m n GLY 67 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 0.53 0.99 1.43 -1.24 -4.46 118.68 117.39 1t2m s LEU 68 Ca 0.00 0.71 0.09 0.00 -1.03 0.00 0.00 54.13 53.89 1t2m s LEU 68 Cb 0.00 -2.68 0.06 0.00 0.03 0.00 0.00 46.19 43.60 1t2m s LEU 68 CO 0.00 -3.42 0.68 -0.94 0.23 0.00 0.00 176.35 172.90 1t2m s SER 69 N -4.04 5.16 0.26 2.29 1.04 -1.26 -4.63 113.70 112.52 1t2m s SER 69 Ca 0.69 -0.80 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 1t2m s SER 69 Cb -0.11 0.06 0.30 0.00 0.10 0.00 0.00 66.02 66.37 1t2m s SER 69 CO 0.55 -1.15 1.88 -0.61 0.98 0.00 0.00 173.24 174.89 1t2m h GLN 70 N 0.39 1.17 0.21 4.02 4.15 -1.89 -2.27 115.11 120.89 1t2m h GLN 70 Ca -0.33 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1t2m h GLN 70 Cb 1.29 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1t2m h GLN 70 CO 0.44 0.85 -0.17 0.93 -1.93 0.00 0.00 178.83 178.95 1t2m h GLU 71 N 1.18 -0.38 -0.22 1.69 3.07 -1.98 0.89 114.58 118.82 1t2m h GLU 71 Ca 0.30 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1t2m h GLU 71 Cb 0.01 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1t2m h GLU 71 CO -0.05 -0.25 0.09 0.00 -1.40 0.00 0.00 179.01 177.40 1t2m h ARG 72 N -0.39 0.20 0.05 2.33 2.47 -1.93 0.18 114.38 117.29 1t2m h ARG 72 Ca -0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1t2m h ARG 72 Cb 0.36 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1t2m h ARG 72 CO -0.02 0.13 -0.04 0.00 0.56 0.00 0.00 179.97 180.60 1t2m h ALA 73 N 1.13 -0.09 -0.83 0.04 0.00 -1.26 -0.10 119.26 118.14 1t2m h ALA 73 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1t2m h ALA 73 Cb 0.04 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1t2m h ALA 73 CO -0.08 -0.56 0.42 0.00 0.00 0.00 0.00 179.25 179.03 1t2m h ALA 74 N 0.85 1.07 -0.10 0.00 0.00 -0.68 -0.82 119.26 119.58 1t2m h ALA 74 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1t2m h ALA 74 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1t2m h ALA 74 CO -0.01 0.62 -0.19 1.49 0.00 0.00 0.00 179.25 181.16 1t2m h GLU 75 N 1.17 0.16 0.01 0.00 4.57 -0.37 -2.52 114.58 117.60 1t2m h GLU 75 Ca 0.29 -0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 58.22 1t2m h GLU 75 Cb 0.09 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1t2m h GLU 75 CO -0.04 0.35 -0.99 -0.07 -1.18 0.00 0.00 179.01 177.08 1t2m h LEU 76 N 0.15 0.04 -1.38 1.64 3.38 -0.37 -3.23 115.31 115.54 1t2m h LEU 76 Ca 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1t2m h LEU 76 Cb 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1t2m h LEU 76 CO 0.03 1.00 -0.31 0.24 0.09 0.00 0.00 178.44 179.49 1t2m h MET 77 N 0.01 0.00 0.01 1.13 2.86 -0.74 -2.67 114.93 115.54 1t2m h MET 77 Ca -0.02 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1t2m h MET 77 Cb 1.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.37 1t2m h MET 77 CO 0.13 0.31 -0.90 0.00 1.06 0.00 0.00 176.91 177.51 1t2m h THR 78 N 0.00 1.58 -1.67 2.22 1.03 -1.55 -3.33 112.91 111.20 1t2m h THR 78 Ca -0.00 -2.88 -0.73 0.00 -0.01 0.00 0.00 66.41 62.78 1t2m h THR 78 Cb 0.56 2.59 -0.21 0.00 -1.07 0.00 0.00 68.15 70.02 1t2m h THR 78 CO 0.04 0.83 1.39 -2.11 -0.01 0.00 0.00 175.52 175.66 1t2m n ARG 79 N -3.55 4.26 -4.49 0.00 1.85 -1.00 -4.95 116.66 108.78 1t2m n ARG 79 Ca -0.02 -3.73 -0.31 0.00 -1.00 0.00 0.00 57.85 52.79 1t2m n ARG 79 Cb 0.84 -2.44 -0.05 0.00 -1.05 0.00 0.00 32.46 29.76 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1t2m s THR 80 N -3.09 1.24 0.33 8.89 -4.23 -1.25 -4.97 115.64 112.55 1t2m s THR 80 Ca 0.49 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1t2m s THR 80 Cb 0.26 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 72.10 1t2m s THR 80 CO -0.18 0.00 0.45 -1.54 -0.54 0.00 0.00 174.62 172.81 1t2m n SER 81 N -1.46 0.48 -0.01 3.99 3.41 -1.26 -5.00 113.62 113.77 1t2m n SER 81 Ca -0.15 -1.43 -0.09 0.00 -0.26 0.00 0.00 58.87 56.94 1t2m n SER 81 Cb 0.66 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1t2m h SER 82 N -0.34 -0.61 -3.22 4.04 0.02 -1.98 -3.42 113.55 108.04 1t2m h SER 82 Ca -0.15 0.11 -0.57 0.00 -0.84 0.00 0.00 61.79 60.33 1t2m h SER 82 Cb 0.52 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1t2m h SER 82 CO 0.15 -0.25 -0.19 -0.69 -1.14 0.00 0.00 176.83 174.71 1t2m s VAL 83 N -6.11 5.02 -0.03 2.27 1.01 -1.26 -2.53 120.40 118.77 1t2m s VAL 83 Ca -0.15 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1t2m s VAL 83 Cb 0.11 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1t2m s VAL 83 CO 0.67 0.19 -0.05 -0.69 0.00 0.00 0.00 175.10 175.23 1t2m s VAL 84 N -1.51 0.49 -0.35 2.92 1.01 0.18 -4.95 120.40 118.19 1t2m s VAL 84 Ca 0.37 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1t2m s VAL 84 Cb -0.14 -0.48 0.10 0.00 0.00 0.00 0.00 36.38 35.86 1t2m s VAL 84 CO 0.19 0.18 0.07 0.42 0.00 0.00 0.00 175.10 175.97 1t2m s THR 85 N 0.52 2.58 -0.37 3.92 -4.23 -1.25 -0.34 115.64 116.46 1t2m s THR 85 Ca -0.06 -2.14 -0.14 0.00 -1.18 0.00 0.00 61.69 58.16 1t2m s THR 85 Cb -0.10 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 1t2m s THR 85 CO -0.00 -0.54 0.27 -0.76 -0.54 0.00 0.00 174.62 173.05 1t2m s LEU 86 N 1.00 4.75 -0.85 4.79 1.43 -1.07 -0.15 118.68 128.59 1t2m s LEU 86 Ca 0.07 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 1t2m s LEU 86 Cb -0.20 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 43.92 1t2m s LEU 86 CO -0.06 -0.32 1.31 -0.70 0.23 0.00 0.00 176.35 176.80 1t2m s GLU 87 N 1.71 3.36 0.35 1.70 2.12 -0.32 -1.88 118.70 125.75 1t2m s GLU 87 Ca 0.06 -0.73 0.07 0.00 0.36 0.00 0.00 54.97 54.73 1t2m s GLU 87 Cb -0.18 -4.68 -0.01 0.00 0.26 0.00 0.00 34.13 29.52 1t2m s GLU 87 CO 0.10 -2.12 0.46 0.14 -0.54 0.00 0.00 175.26 173.30 1t2m s VAL 88 N 5.10 3.73 0.02 3.70 -7.23 0.14 -1.03 120.40 124.82 1t2m s VAL 88 Ca 0.38 -1.07 0.09 0.00 -1.81 0.00 0.00 61.98 59.57 1t2m s VAL 88 Cb -0.06 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 1t2m s VAL 88 CO 0.03 -0.12 -0.26 0.00 -0.31 0.00 0.00 175.10 174.44 1t2m s ALA 89 N -2.24 2.22 -1.17 1.32 0.00 -0.71 0.31 121.76 121.49 1t2m s ALA 89 Ca 0.46 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 1t2m s ALA 89 Cb -0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1t2m s ALA 89 CO 0.31 0.53 2.07 1.63 0.00 0.00 0.00 175.76 180.30 1t2m n LYS 90 N 2.05 2.28 -0.62 0.00 4.01 -1.18 -2.42 118.16 122.29 1t2m n LYS 90 Ca -0.17 -2.33 0.00 0.00 -0.51 0.00 0.00 58.31 55.31 1t2m n LYS 90 Cb 0.52 -3.17 0.00 0.00 -0.51 0.00 0.00 35.03 31.87 1t2m n LYS 90 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1t2m n GLN 91 N 6.65 1.91 0.00 1.97 7.27 -1.26 -4.97 117.38 128.95 1t2m n GLN 91 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.58 1t2m n GLN 91 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1t2m n GLY 92 N 5.00 3.68 0.00 1.69 0.00 -0.34 -4.58 105.19 110.65 1t2m n GLY 92 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32