#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 0.77 -0.12 0.03 2.36 -1.26 -5.04 119.74 116.48 1t2m s LYS 2 Ca 0.00 0.70 -0.07 0.00 -2.55 0.00 0.00 55.97 54.05 1t2m s LYS 2 Cb 0.00 -1.76 -0.04 0.00 -1.05 0.00 0.00 37.83 34.98 1t2m s LYS 2 CO 0.00 -2.54 0.14 -1.21 1.55 0.00 0.00 175.35 173.29 1t2m s GLU 3 N -4.92 3.46 0.93 4.03 2.02 -1.26 -5.11 118.70 117.85 1t2m s GLU 3 Ca 0.65 -0.12 -0.14 0.00 0.02 0.00 0.00 54.97 55.37 1t2m s GLU 3 Cb -0.19 -3.19 0.15 0.00 0.10 0.00 0.00 34.13 31.00 1t2m s GLU 3 CO 0.58 0.77 1.19 -1.25 0.02 0.00 0.00 175.26 176.56 1t2m s PRO 4 N -1.01 0.97 -0.50 0.39 0.04 -1.26 -5.04 135.00 128.59 1t2m s PRO 4 Ca 0.15 0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.20 1t2m s PRO 4 Cb -0.12 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.71 1t2m s PRO 4 CO 0.04 -2.26 0.32 -2.00 0.04 0.00 0.00 177.00 173.14 1t2m s GLU 5 N -5.50 2.30 -0.10 4.56 2.12 -1.16 -4.90 118.70 116.02 1t2m s GLU 5 Ca 0.66 -2.07 -0.28 0.00 0.36 0.00 0.00 54.97 53.65 1t2m s GLU 5 Cb -0.11 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 1t2m s GLU 5 CO 0.52 -1.13 0.91 0.42 -0.54 0.00 0.00 175.26 175.45 1t2m s ILE 6 N 0.74 4.86 -0.01 -3.70 -1.09 -1.26 -1.68 121.20 119.06 1t2m s ILE 6 Ca 0.11 1.86 -0.13 0.00 -2.23 0.00 0.00 60.65 60.26 1t2m s ILE 6 Cb -0.22 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1t2m s ILE 6 CO -0.04 0.07 0.27 0.27 -1.23 0.00 0.00 174.94 174.29 1t2m s ILE 7 N 1.70 0.06 -0.18 2.92 -4.36 -0.42 -5.02 121.20 115.90 1t2m s ILE 7 Ca 0.45 -0.50 -0.02 0.00 -0.26 0.00 0.00 60.65 60.32 1t2m s ILE 7 Cb -0.18 -0.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.95 1t2m s ILE 7 CO 0.18 -0.28 -0.09 -0.89 0.24 0.00 0.00 174.94 174.10 1t2m s THR 8 N -1.28 3.11 -0.03 8.37 2.01 -1.26 -0.95 115.64 125.61 1t2m s THR 8 Ca -0.13 -0.60 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1t2m s THR 8 Cb -0.06 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1t2m s THR 8 CO 0.04 0.48 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 1t2m s VAL 9 N 1.01 1.83 -0.10 3.82 1.01 0.42 -4.97 120.40 123.42 1t2m s VAL 9 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1t2m s VAL 9 Cb -0.15 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1t2m s VAL 9 CO -0.01 0.52 -0.07 0.42 0.00 0.00 0.00 175.10 175.96 1t2m s THR 10 N -0.38 3.64 0.31 3.92 -4.23 -1.26 -1.62 115.64 116.02 1t2m s THR 10 Ca 0.04 -0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1t2m s THR 10 Cb -0.10 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 1t2m s THR 10 CO 0.01 0.56 0.44 -1.48 -0.54 0.00 0.00 174.62 173.60 1t2m s LEU 11 N -0.29 0.90 0.05 4.79 2.34 -1.00 -4.94 118.68 120.53 1t2m s LEU 11 Ca 0.04 -1.37 0.09 0.00 0.06 0.00 0.00 54.13 52.95 1t2m s LEU 11 Cb -0.13 1.42 -0.03 0.00 -0.56 0.00 0.00 46.19 46.89 1t2m s LEU 11 CO 0.02 -1.22 -0.26 -0.54 -1.06 0.00 0.00 176.35 173.29 1t2m s LYS 12 N -3.34 1.82 0.37 1.48 1.02 -1.26 0.13 119.74 119.95 1t2m s LYS 12 Ca 0.30 -1.11 -0.24 0.00 0.02 0.00 0.00 55.97 54.94 1t2m s LYS 12 Cb 0.00 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 1t2m s LYS 12 CO 0.17 0.51 0.95 -1.59 -0.92 0.00 0.00 175.35 174.48 1t2m s LYS 13 N -1.28 4.43 -0.27 1.68 -2.85 -1.14 -4.74 119.74 115.58 1t2m s LYS 13 Ca 0.12 1.26 -0.15 0.00 -1.00 0.00 0.00 55.97 56.20 1t2m s LYS 13 Cb -0.10 -2.56 -0.13 0.00 -2.06 0.00 0.00 37.83 32.98 1t2m s LYS 13 CO 0.02 0.15 -0.29 0.94 0.10 0.00 0.00 175.35 176.27 1t2m n GLN 14 N 0.10 0.58 -2.62 1.78 -0.06 -1.26 -4.88 117.38 111.02 1t2m n GLN 14 Ca 0.04 0.30 -0.03 0.00 -2.00 0.00 0.00 57.00 55.30 1t2m n GLN 14 Cb 0.51 -1.52 0.12 0.00 -4.06 0.00 0.00 30.24 25.29 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 -4.28 -1.52 0.00 1.69 2.85 -1.26 -5.09 115.26 107.66 1t2m n ASN 15 Ca -0.51 -2.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.74 1t2m n ASN 15 Cb 0.85 0.76 0.00 0.00 1.24 0.00 0.00 39.78 42.64 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 -1.18 0.64 2.63 8.20 0.00 -1.26 -5.01 105.19 109.21 1t2m n GLY 16 Ca -0.13 -2.19 -0.24 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 -0.48 0.22 -1.12 1.61 -1.94 -1.26 -4.71 119.30 111.62 1t2m s MET 17 Ca 0.00 -0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.57 1t2m s MET 17 Cb 0.00 -1.07 0.25 0.00 2.01 0.00 0.00 34.83 36.02 1t2m s MET 17 CO 0.00 -0.96 1.16 0.20 -0.01 0.00 0.00 175.02 175.41 1t2m s GLY 18 N 2.20 3.05 -0.16 -0.03 0.00 -1.26 -4.95 107.32 106.17 1t2m s GLY 18 Ca 0.08 -3.73 -0.04 0.00 0.00 0.00 0.00 44.72 41.03 1t2m s GLY 18 CO -0.31 1.47 0.27 1.08 0.00 0.00 0.00 173.10 175.61 1t2m s LEU 19 N -0.64 -0.31 0.01 0.66 1.02 -1.26 0.56 118.68 118.73 1t2m s LEU 19 Ca 0.33 0.42 -0.28 0.00 0.02 0.00 0.00 54.13 54.62 1t2m s LEU 19 Cb -0.09 0.71 -0.04 0.00 0.02 0.00 0.00 46.19 46.79 1t2m s LEU 19 CO -0.07 -0.26 0.89 -0.94 0.02 0.00 0.00 176.35 175.99 1t2m s SER 20 N 2.42 7.30 0.42 2.29 1.04 0.10 -4.97 113.70 122.29 1t2m s SER 20 Ca 0.03 1.56 0.04 0.00 0.48 0.00 0.00 55.95 58.06 1t2m s SER 20 Cb -0.13 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 1t2m s SER 20 CO -0.10 -0.15 0.05 0.27 0.98 0.00 0.00 173.24 174.28 1t2m s ILE 21 N 0.62 1.24 -0.22 -1.02 -5.25 -1.26 -1.56 121.20 113.74 1t2m s ILE 21 Ca 0.46 -2.00 -0.23 0.00 -0.99 0.00 0.00 60.65 57.90 1t2m s ILE 21 Cb -0.21 -2.57 0.06 0.00 2.95 0.00 0.00 42.46 42.70 1t2m s ILE 21 CO 0.26 0.00 0.63 0.54 -1.79 0.00 0.00 174.94 174.58 1t2m s VAL 22 N -3.02 0.00 -0.51 8.37 0.11 0.89 -4.79 120.40 121.45 1t2m s VAL 22 Ca 0.25 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.12 1t2m s VAL 22 Cb 0.06 -0.89 0.08 0.00 -1.53 0.00 0.00 36.38 34.10 1t2m s VAL 22 CO 0.12 -0.00 0.53 0.00 -3.33 0.00 0.00 175.10 172.42 1t2m s ALA 23 N 0.20 3.49 0.32 1.54 0.00 -1.26 0.73 121.76 126.78 1t2m s ALA 23 Ca -0.01 -2.05 0.04 0.00 0.00 0.00 0.00 51.96 49.95 1t2m s ALA 23 Cb -0.04 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1t2m s ALA 23 CO 0.02 -1.94 0.20 0.00 0.00 0.00 0.00 175.76 174.03 1t2m s ALA 24 N 2.12 1.95 0.51 0.00 0.00 -1.16 -4.92 121.76 120.26 1t2m s ALA 24 Ca 0.09 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.32 1t2m s ALA 24 Cb -0.23 1.26 0.05 0.00 0.00 0.00 0.00 23.12 24.20 1t2m s ALA 24 CO 0.08 -0.56 0.64 0.21 0.00 0.00 0.00 175.76 176.13 1t2m s LYS 25 N -3.69 2.48 0.00 0.00 2.20 -1.26 -2.61 119.74 116.85 1t2m s LYS 25 Ca 0.37 -1.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1t2m s LYS 25 Cb 0.04 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1t2m s LYS 25 CO 0.21 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1t2m n GLY 26 N -1.99 4.00 3.67 5.54 0.00 -1.26 -5.01 105.19 110.14 1t2m n GLY 26 Ca 0.10 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.18 3.25 -1.86 4.61 0.00 -1.26 -4.44 121.76 120.88 1t2m s ALA 27 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1t2m s ALA 27 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1t2m s ALA 27 CO 0.00 0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1t2m n GLY 28 N 0.40 1.67 2.62 0.00 0.00 -1.26 -4.92 105.19 103.71 1t2m n GLY 28 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.47 0.10 -0.35 1.61 -0.44 -1.26 -5.01 119.66 110.82 1t2m s GLN 29 Ca 0.00 -0.09 0.03 0.00 -2.50 0.00 0.00 55.36 52.80 1t2m s GLN 29 Cb 0.00 -1.66 0.49 0.00 -1.64 0.00 0.00 33.01 30.21 1t2m s GLN 29 CO 0.00 -0.71 1.72 -3.47 0.50 0.00 0.00 175.29 173.34 1t2m n ASP 30 N 5.28 3.86 0.00 6.67 -0.08 -1.26 -4.26 116.55 126.76 1t2m n ASP 30 Ca -0.07 -3.24 0.00 0.00 -1.51 0.00 0.00 54.79 49.98 1t2m n ASP 30 Cb 0.48 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.16 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 -0.72 1.73 -3.59 -0.67 4.76 -1.26 -5.07 118.16 113.34 1t2m n LYS 31 Ca 0.46 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.70 1t2m n LYS 31 Cb 1.33 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 34.37 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 0.02 0.12 -0.35 2.96 -1.26 -4.55 118.68 115.61 1t2m s LEU 32 Ca 0.00 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1t2m s LEU 32 Cb 0.00 0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.83 1t2m s LEU 32 CO 0.00 -0.30 0.24 -0.83 -1.32 0.00 0.00 176.35 174.13 1t2m s GLY 33 N 2.27 1.89 -0.73 7.98 0.00 -1.07 -1.09 107.32 116.56 1t2m s GLY 33 Ca 0.04 -0.98 -0.27 0.00 0.00 0.00 0.00 44.72 43.52 1t2m s GLY 33 CO -0.09 -0.97 1.25 -0.42 0.00 0.00 0.00 173.10 172.87 1t2m s ILE 34 N -1.64 3.78 0.47 0.90 -1.09 -0.92 -3.00 121.20 119.68 1t2m s ILE 34 Ca 0.34 0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 59.02 1t2m s ILE 34 Cb -0.12 -4.90 -0.06 0.00 -1.58 0.00 0.00 42.46 35.81 1t2m s ILE 34 CO 0.28 -1.81 0.84 -0.31 -1.23 0.00 0.00 174.94 172.71 1t2m s TYR 35 N 5.59 3.51 -0.33 3.97 2.02 0.23 -0.58 117.35 131.74 1t2m s TYR 35 Ca 0.34 1.10 -0.09 0.00 -0.37 0.00 0.00 57.07 58.05 1t2m s TYR 35 Cb -0.09 -2.51 0.01 0.00 -0.40 0.00 0.00 41.96 38.98 1t2m s TYR 35 CO 0.15 -0.26 0.15 0.08 -1.57 0.00 0.00 175.55 174.10 1t2m s VAL 36 N -2.59 4.38 -0.01 0.71 1.01 0.17 -0.08 120.40 124.00 1t2m s VAL 36 Ca 0.52 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1t2m s VAL 36 Cb -0.10 -3.34 -0.29 0.00 0.00 0.00 0.00 36.38 32.65 1t2m s VAL 36 CO 0.37 -0.06 0.82 0.07 0.00 0.00 0.00 175.10 176.30 1t2m h LYS 37 N 8.35 0.29 -2.52 2.72 2.10 -1.59 0.50 116.57 126.41 1t2m h LYS 37 Ca -0.29 -0.50 0.11 0.00 -2.00 0.00 0.00 60.65 57.98 1t2m h LYS 37 Cb 1.12 0.19 -0.10 0.00 -0.90 0.00 0.00 32.23 32.53 1t2m h LYS 37 CO 0.63 1.17 0.41 0.45 -2.00 0.00 0.00 179.45 180.11 1t2m s SER 38 N -7.07 -0.31 -0.18 7.07 0.15 -1.17 -4.13 113.70 108.06 1t2m s SER 38 Ca -0.10 -0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1t2m s SER 38 Cb 0.06 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1t2m s SER 38 CO 0.86 -0.89 -0.02 -0.69 1.20 0.00 0.00 173.24 173.69 1t2m s VAL 39 N -3.40 0.98 0.21 4.45 1.01 -1.26 -0.72 120.40 121.67 1t2m s VAL 39 Ca 0.08 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 61.05 1t2m s VAL 39 Cb -0.02 -1.28 -0.12 0.00 0.00 0.00 0.00 36.38 34.97 1t2m s VAL 39 CO -0.03 -0.02 1.68 -0.69 0.00 0.00 0.00 175.10 176.05 1t2m s VAL 40 N 1.67 2.13 0.60 2.92 1.01 0.19 -4.95 120.40 123.97 1t2m s VAL 40 Ca -0.01 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 1t2m s VAL 40 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1t2m s VAL 40 CO -0.07 0.01 1.24 -0.75 0.00 0.00 0.00 175.10 175.53 1t2m s LYS 41 N 1.01 2.91 0.00 2.72 2.47 -1.26 -3.23 119.74 124.36 1t2m s LYS 41 Ca 0.73 1.93 0.00 0.00 -1.56 0.00 0.00 55.97 57.06 1t2m s LYS 41 Cb -0.48 -1.96 0.00 0.00 -1.46 0.00 0.00 37.83 33.93 1t2m s LYS 41 CO 0.33 -1.28 0.00 0.41 0.16 0.00 0.00 175.35 174.97 1t2m n GLY 42 N 0.63 2.99 3.77 5.54 0.00 -1.26 -5.03 105.19 111.83 1t2m n GLY 42 Ca 0.14 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.76 2.92 0.34 -0.02 0.00 -1.20 -4.83 107.32 101.76 1t2m s GLY 43 Ca 0.00 1.29 0.09 0.00 0.00 0.00 0.00 44.72 46.11 1t2m s GLY 43 CO 0.00 1.88 1.79 0.00 0.00 0.00 0.00 173.10 176.77 1t2m h ALA 44 N 2.54 1.83 -0.12 3.20 0.00 -1.86 -1.74 119.26 123.12 1t2m h ALA 44 Ca -0.50 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1t2m h ALA 44 Cb 1.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1t2m h ALA 44 CO 0.62 -0.19 -0.25 0.00 0.00 0.00 0.00 179.25 179.43 1t2m h ALA 45 N 1.63 -0.25 -0.35 0.00 0.00 -1.91 0.66 119.26 119.05 1t2m h ALA 45 Ca 0.56 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1t2m h ALA 45 Cb 1.00 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1t2m h ALA 45 CO -0.33 -0.72 0.02 0.22 0.00 0.00 0.00 179.25 178.45 1t2m h ASP 46 N -0.33 0.58 -0.63 0.00 1.82 -1.70 -2.93 116.42 113.24 1t2m h ASP 46 Ca 0.10 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 1t2m h ASP 46 Cb 0.47 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 1t2m h ASP 46 CO -0.30 0.73 0.32 0.58 -1.61 0.00 0.00 179.24 178.96 1t2m h VAL 47 N 0.42 1.21 0.34 2.25 2.07 -0.94 -3.03 116.25 118.57 1t2m h VAL 47 Ca 0.10 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1t2m h VAL 47 Cb 0.42 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1t2m h VAL 47 CO 0.01 0.24 -0.16 0.44 0.02 0.00 0.00 177.57 178.13 1t2m h ASP 48 N 0.92 -0.38 0.00 0.57 3.32 0.46 -3.48 116.42 117.82 1t2m h ASP 48 Ca 0.23 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1t2m h ASP 48 Cb 0.08 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1t2m h ASP 48 CO -0.03 -0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.83 1t2m n GLY 49 N -1.27 0.83 1.69 2.75 0.00 -1.12 -5.05 105.19 103.03 1t2m n GLY 49 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.32 -3.99 1.61 5.12 -1.25 -5.11 116.66 113.35 1t2m n ARG 50 Ca 0.00 -2.11 -0.10 0.00 -1.93 0.00 0.00 57.85 53.71 1t2m n ARG 50 Cb 0.00 -0.19 -0.06 0.00 -1.16 0.00 0.00 32.46 31.05 1t2m n ARG 50 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1t2m s LEU 51 N -0.73 0.53 -0.17 0.55 1.43 -1.26 -5.00 118.68 114.02 1t2m s LEU 51 Ca 0.28 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 1t2m s LEU 51 Cb 0.34 1.52 0.14 0.00 0.03 0.00 0.00 46.19 48.21 1t2m s LEU 51 CO -0.13 -1.05 1.07 0.00 0.23 0.00 0.00 176.35 176.48 1t2m s ALA 52 N -4.01 -1.97 0.64 4.21 0.00 -1.26 -4.99 121.76 114.38 1t2m s ALA 52 Ca 0.22 1.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.60 1t2m s ALA 52 Cb 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1t2m s ALA 52 CO 0.07 -0.36 1.17 0.00 0.00 0.00 0.00 175.76 176.64 1t2m s ALA 53 N -1.42 2.44 -0.69 0.00 0.00 -1.26 -3.89 121.76 116.95 1t2m s ALA 53 Ca 0.02 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1t2m s ALA 53 Cb -0.01 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1t2m s ALA 53 CO -0.02 -1.31 0.58 0.41 0.00 0.00 0.00 175.76 175.42 1t2m n GLY 54 N 0.19 -0.11 3.47 0.00 0.00 0.17 -5.00 105.19 103.91 1t2m n GLY 54 Ca 0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1t2m n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t2m s ASP 55 N -3.65 2.48 0.17 1.61 2.15 -1.05 -4.50 116.67 113.88 1t2m s ASP 55 Ca 0.07 -1.43 0.07 0.00 0.43 0.00 0.00 52.55 51.69 1t2m s ASP 55 Cb -0.01 0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.59 1t2m s ASP 55 CO 0.44 -0.66 0.02 -1.58 -0.17 0.00 0.00 175.17 173.21 1t2m s GLN 56 N -3.87 2.47 -0.06 4.34 -0.44 -0.72 0.46 119.66 121.84 1t2m s GLN 56 Ca 0.34 -1.07 -0.02 0.00 -2.50 0.00 0.00 55.36 52.11 1t2m s GLN 56 Cb 0.08 -2.40 0.03 0.00 -1.64 0.00 0.00 33.01 29.08 1t2m s GLN 56 CO 0.15 0.46 0.03 -1.17 0.50 0.00 0.00 175.29 175.26 1t2m s LEU 57 N -2.94 0.39 -0.11 3.68 2.96 0.25 -0.85 118.68 122.05 1t2m s LEU 57 Ca 0.28 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.06 1t2m s LEU 57 Cb -0.09 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.24 1t2m s LEU 57 CO 0.19 -0.22 -0.22 -0.11 -1.32 0.00 0.00 176.35 174.67 1t2m n LEU 58 N 5.22 1.45 -4.81 -0.68 0.00 0.19 -2.17 117.00 116.20 1t2m n LEU 58 Ca -0.05 0.24 -0.33 0.00 0.00 0.00 0.00 56.01 55.86 1t2m n LEU 58 Cb 0.50 -0.55 -0.06 0.00 0.00 0.00 0.00 43.42 43.30 1t2m n LEU 58 CO 0.08 -0.13 -0.23 -0.55 0.00 0.00 0.00 177.39 176.56 1t2m s SER 59 N -6.18 5.83 -0.06 1.96 0.15 -1.16 -2.23 113.70 112.02 1t2m s SER 59 Ca -0.20 0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1t2m s SER 59 Cb 0.05 -1.71 0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1t2m s SER 59 CO 0.28 0.27 0.09 -0.69 1.20 0.00 0.00 173.24 174.38 1t2m s VAL 60 N -1.23 -0.15 -1.36 4.45 1.01 0.90 -0.80 120.40 123.22 1t2m s VAL 60 Ca 0.24 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 1t2m s VAL 60 Cb -0.12 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1t2m s VAL 60 CO 0.15 0.16 0.98 0.47 0.00 0.00 0.00 175.10 176.86 1t2m n ASP 61 N 5.31 -3.83 -1.45 3.32 8.00 0.80 -1.59 116.55 127.11 1t2m n ASP 61 Ca -0.04 -0.69 -0.14 0.00 0.71 0.00 0.00 54.79 54.64 1t2m n ASP 61 Cb 0.50 -4.50 -0.02 0.00 -0.02 0.00 0.00 41.12 37.08 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 -1.65 0.23 3.06 0.44 0.00 -1.18 -4.92 105.19 101.16 1t2m n GLY 62 Ca -0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.29 1.06 -0.20 1.61 0.52 -0.62 -5.13 118.95 111.89 1t2m s ARG 63 Ca 0.00 -0.41 -0.17 0.00 -0.52 0.00 0.00 55.73 54.63 1t2m s ARG 63 Cb 0.00 -0.99 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 1t2m s ARG 63 CO 0.00 0.21 0.47 -1.12 0.02 0.00 0.00 175.30 174.87 1t2m s SER 64 N -0.09 6.51 -0.51 0.23 0.01 -1.26 -0.07 113.70 118.52 1t2m s SER 64 Ca 0.01 0.60 0.04 0.00 1.31 0.00 0.00 55.95 57.91 1t2m s SER 64 Cb -0.07 -2.27 0.16 0.00 0.21 0.00 0.00 66.02 64.06 1t2m s SER 64 CO 0.00 -0.14 0.36 -1.48 0.41 0.00 0.00 173.24 172.39 1t2m s LEU 65 N 1.50 2.87 -0.56 2.44 0.05 -0.94 -5.00 118.68 119.04 1t2m s LEU 65 Ca 0.22 -3.17 -0.05 0.00 0.05 0.00 0.00 54.13 51.17 1t2m s LEU 65 Cb -0.15 -1.00 0.14 0.00 -2.05 0.00 0.00 46.19 43.14 1t2m s LEU 65 CO 0.09 -0.17 0.39 -0.69 -0.55 0.00 0.00 176.35 175.42 1t2m s VAL 66 N -0.32 3.91 0.00 1.48 1.01 -1.26 -4.52 120.40 120.70 1t2m s VAL 66 Ca 0.25 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1t2m s VAL 66 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1t2m s VAL 66 CO -0.12 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.76 1t2m n GLY 67 N 4.13 1.31 3.55 4.51 0.00 -0.25 -4.60 105.19 113.84 1t2m n GLY 67 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 2.88 0.68 0.99 1.43 -1.23 -4.80 118.68 118.63 1t2m s LEU 68 Ca 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 1t2m s LEU 68 Cb 0.00 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1t2m s LEU 68 CO 0.00 0.06 1.05 -0.44 0.23 0.00 0.00 176.35 177.25 1t2m s SER 69 N -3.25 5.63 0.40 2.29 0.01 -1.26 -4.84 113.70 112.69 1t2m s SER 69 Ca 0.28 1.50 0.13 0.00 1.31 0.00 0.00 55.95 59.16 1t2m s SER 69 Cb -0.07 -2.42 0.97 0.00 0.21 0.00 0.00 66.02 64.70 1t2m s SER 69 CO 0.16 -1.26 1.91 -0.61 0.41 0.00 0.00 173.24 173.84 1t2m h GLN 70 N -0.59 0.50 -0.36 12.44 4.15 -1.95 -1.43 115.11 127.87 1t2m h GLN 70 Ca -0.44 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 58.87 1t2m h GLN 70 Cb 1.21 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1t2m h GLN 70 CO 0.59 0.33 -0.08 1.05 -1.93 0.00 0.00 178.83 178.79 1t2m h GLU 71 N 0.52 0.68 0.32 1.69 4.11 -1.98 -1.32 114.58 118.60 1t2m h GLU 71 Ca 0.39 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 1t2m h GLU 71 Cb 0.78 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1t2m h GLU 71 CO -0.15 0.84 -0.15 0.00 0.07 0.00 0.00 179.01 179.62 1t2m h ARG 72 N 0.48 -0.42 -0.55 1.06 2.47 -1.64 -0.16 114.38 115.62 1t2m h ARG 72 Ca 0.09 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1t2m h ARG 72 Cb 0.59 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 1t2m h ARG 72 CO 0.03 -0.24 0.26 0.00 0.56 0.00 0.00 179.97 180.58 1t2m h ALA 73 N 0.18 0.72 -0.78 0.04 0.00 -1.50 -2.30 119.26 115.62 1t2m h ALA 73 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1t2m h ALA 73 Cb 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1t2m h ALA 73 CO 0.07 0.29 0.51 0.00 0.00 0.00 0.00 179.25 180.13 1t2m h ALA 74 N 1.10 1.44 -0.37 0.00 0.00 -1.15 -0.76 119.26 119.51 1t2m h ALA 74 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1t2m h ALA 74 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1t2m h ALA 74 CO -0.02 0.52 -0.08 1.49 0.00 0.00 0.00 179.25 181.15 1t2m h GLU 75 N 1.06 0.63 -0.04 0.00 4.57 -0.59 -2.02 114.58 118.19 1t2m h GLU 75 Ca 0.29 -0.18 -0.21 0.00 -1.18 0.00 0.00 59.36 58.07 1t2m h GLU 75 Cb -0.12 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1t2m h GLU 75 CO -0.06 0.71 -0.85 -0.07 -1.18 0.00 0.00 179.01 177.56 1t2m h LEU 76 N 0.59 0.55 -1.13 1.64 3.38 -0.81 -2.80 115.31 116.73 1t2m h LEU 76 Ca 0.11 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1t2m h LEU 76 Cb 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1t2m h LEU 76 CO 0.03 1.18 -0.42 0.24 0.09 0.00 0.00 178.44 179.56 1t2m h MET 77 N 0.27 0.00 0.02 1.13 2.86 -0.96 -2.98 114.93 115.27 1t2m h MET 77 Ca -0.06 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 1t2m h MET 77 Cb 1.47 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 1t2m h MET 77 CO 0.15 0.42 -1.01 0.00 1.06 0.00 0.00 176.91 177.52 1t2m h THR 78 N 0.00 1.68 -0.69 2.22 1.03 -1.35 -3.29 112.91 112.51 1t2m h THR 78 Ca -0.00 -3.33 -0.46 0.00 -0.01 0.00 0.00 66.41 62.60 1t2m h THR 78 Cb 0.78 2.83 -0.20 0.00 -1.07 0.00 0.00 68.15 70.50 1t2m h THR 78 CO 0.05 0.96 0.59 -2.11 -0.01 0.00 0.00 175.52 175.00 1t2m n ARG 79 N -3.39 2.15 -2.63 0.00 1.85 -1.06 -4.95 116.66 108.63 1t2m n ARG 79 Ca -0.01 -2.23 -0.21 0.00 -1.00 0.00 0.00 57.85 54.40 1t2m n ARG 79 Cb 0.94 -1.88 0.04 0.00 -1.05 0.00 0.00 32.46 30.51 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 -3.24 2.65 0.00 8.89 -4.23 -1.23 -5.00 115.64 113.47 1t2m s THR 80 Ca 0.44 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1t2m s THR 80 Cb 0.34 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1t2m s THR 80 CO -0.02 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.86 1t2m n SER 81 N -2.36 0.36 -0.16 3.99 7.64 -1.26 -5.00 113.62 116.83 1t2m n SER 81 Ca 0.08 -0.50 0.06 0.00 1.01 0.00 0.00 58.87 59.52 1t2m n SER 81 Cb 0.60 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.16 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t2m h SER 82 N 0.00 0.63 -3.29 6.43 0.02 -1.97 -3.42 113.55 111.95 1t2m h SER 82 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1t2m h SER 82 Cb 0.00 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1t2m h SER 82 CO 0.00 0.41 -0.21 -0.69 -1.14 0.00 0.00 176.83 175.20 1t2m s VAL 83 N -5.64 5.05 -0.38 2.27 1.01 -1.26 -2.87 120.40 118.58 1t2m s VAL 83 Ca -0.09 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1t2m s VAL 83 Cb 0.19 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 33.08 1t2m s VAL 83 CO 0.77 0.00 0.20 -0.69 0.00 0.00 0.00 175.10 175.38 1t2m s VAL 84 N -1.72 0.78 -0.97 2.92 1.01 0.12 -4.95 120.40 117.58 1t2m s VAL 84 Ca 0.44 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.24 1t2m s VAL 84 Cb -0.12 -1.56 0.13 0.00 0.00 0.00 0.00 36.38 34.84 1t2m s VAL 84 CO 0.23 -0.90 1.18 -0.89 0.00 0.00 0.00 175.10 174.72 1t2m s THR 85 N 0.88 4.74 -0.09 3.92 2.01 -1.26 -2.37 115.64 123.47 1t2m s THR 85 Ca 0.16 -1.70 -0.02 0.00 0.31 0.00 0.00 61.69 60.44 1t2m s THR 85 Cb -0.23 -4.81 -0.03 0.00 0.01 0.00 0.00 72.50 67.44 1t2m s THR 85 CO -0.04 -1.54 0.01 -0.76 -0.69 0.00 0.00 174.62 171.60 1t2m s LEU 86 N 2.60 3.64 -0.35 4.42 1.43 -0.64 -0.14 118.68 129.65 1t2m s LEU 86 Ca 0.34 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1t2m s LEU 86 Cb -0.04 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1t2m s LEU 86 CO -0.08 0.38 0.09 -0.70 0.23 0.00 0.00 176.35 176.26 1t2m s GLU 87 N -0.88 2.24 0.46 1.70 2.12 0.02 -0.44 118.70 123.93 1t2m s GLU 87 Ca 0.13 -1.50 0.08 0.00 0.36 0.00 0.00 54.97 54.05 1t2m s GLU 87 Cb -0.11 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1t2m s GLU 87 CO 0.02 -0.81 0.56 0.14 -0.54 0.00 0.00 175.26 174.63 1t2m s VAL 88 N 1.21 2.61 -0.03 3.70 -7.23 -0.13 -0.64 120.40 119.89 1t2m s VAL 88 Ca 0.01 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1t2m s VAL 88 Cb -0.21 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 34.01 1t2m s VAL 88 CO -0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.74 1t2m s ALA 89 N -2.49 0.47 -0.21 1.32 0.00 -0.03 -1.30 121.76 119.52 1t2m s ALA 89 Ca 0.53 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 1t2m s ALA 89 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1t2m s ALA 89 CO 0.32 -0.01 1.23 0.15 0.00 0.00 0.00 175.76 177.45 1t2m s LYS 90 N 0.77 4.17 0.00 0.00 -0.14 -0.67 -1.76 119.74 122.11 1t2m s LYS 90 Ca -0.09 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 1t2m s LYS 90 Cb -0.12 -3.77 0.00 0.00 -1.68 0.00 0.00 37.83 32.26 1t2m s LYS 90 CO -0.01 -0.79 0.00 0.00 -0.76 0.00 0.00 175.35 173.80 1t2m n GLN 91 N 6.72 0.00 0.00 1.68 10.64 -1.26 -2.99 117.38 132.16 1t2m n GLN 91 Ca 0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1t2m n GLN 91 Cb 0.45 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.83 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 0.00 -0.02 0.94 2.61 0.00 -1.26 -4.90 105.19 102.55 1t2m n GLY 92 Ca 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32