#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huf s TRP 2 N 0.00 3.64 -0.02 2.03 0.52 -1.26 -0.42 118.94 123.44 3huf s TRP 2 Ca 0.00 1.62 0.04 0.00 0.02 0.00 0.00 56.10 57.78 3huf s TRP 2 Cb 0.00 -3.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 3huf s TRP 2 CO 0.00 -0.38 -0.12 0.42 0.02 0.00 0.00 176.95 176.89 3huf s ILE 3 N 0.28 0.98 0.03 2.03 1.01 -0.41 -0.49 121.20 124.62 3huf s ILE 3 Ca 0.51 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.72 3huf s ILE 3 Cb -0.26 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 3huf s ILE 3 CO 0.31 0.28 -0.20 0.27 0.00 0.00 0.00 174.94 175.60 3huf s ILE 4 N -0.15 2.59 0.14 2.92 -4.36 0.58 -0.26 121.20 122.68 3huf s ILE 4 Ca 0.02 -1.19 -0.16 0.00 -0.26 0.00 0.00 60.65 59.06 3huf s ILE 4 Cb -0.06 -2.05 0.03 0.00 1.25 0.00 0.00 42.46 41.63 3huf s ILE 4 CO -0.00 0.39 0.42 -1.83 0.24 0.00 0.00 174.94 174.16 3huf s GLU 5 N -1.25 1.15 0.06 0.37 4.04 -0.76 -1.11 118.70 121.20 3huf s GLU 5 Ca 0.13 -0.77 -0.13 0.00 0.04 0.00 0.00 54.97 54.24 3huf s GLU 5 Cb -0.10 0.48 0.02 0.00 0.02 0.00 0.00 34.13 34.54 3huf s GLU 5 CO 0.03 -0.46 0.30 0.00 -1.84 0.00 0.00 175.26 173.29 3huf s ALA 6 N -3.83 -0.65 0.59 -0.84 0.00 -1.26 -1.12 121.76 114.64 3huf s ALA 6 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3huf s ALA 6 Cb 0.01 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.56 3huf s ALA 6 CO -0.09 -0.46 0.84 -1.83 0.00 0.00 0.00 175.76 174.22 3huf s GLU 7 N -2.90 2.53 -1.35 0.00 1.03 -1.26 -4.49 118.70 112.25 3huf s GLU 7 Ca -0.03 -0.54 0.00 0.00 0.03 0.00 0.00 54.97 54.43 3huf s GLU 7 Cb 0.00 -2.39 0.00 0.00 -0.80 0.00 0.00 34.13 30.94 3huf s GLU 7 CO -0.06 -0.81 0.00 0.41 -1.33 0.00 0.00 175.26 173.47 3huf n GLY 8 N -2.50 0.54 2.59 -3.83 0.00 -1.26 -3.69 105.19 97.04 3huf n GLY 8 Ca 0.07 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 3huf n GLY 8 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3huf n ASP 9 N -0.54 -5.55 0.17 1.61 -0.08 -1.26 -4.84 116.55 106.06 3huf n ASP 9 Ca -0.16 0.47 0.13 0.00 -1.51 0.00 0.00 54.79 53.72 3huf n ASP 9 Cb 0.56 -4.86 0.42 0.00 2.34 0.00 0.00 41.12 39.57 3huf n ASP 9 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3huf h ILE 10 N 0.00 0.00 -0.14 5.18 3.07 -1.85 -2.08 117.51 121.68 3huf h ILE 10 Ca -0.43 -0.56 -0.01 0.00 1.55 0.00 0.00 64.86 65.40 3huf h ILE 10 Cb 1.36 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 3huf h ILE 10 CO 0.62 0.00 -0.02 0.18 -1.05 0.00 0.00 178.15 177.89 3huf n LEU 11 N -2.63 3.20 -1.27 0.16 4.77 -1.26 -3.60 117.00 116.37 3huf n LEU 11 Ca 0.03 -3.11 -0.13 0.00 -0.03 0.00 0.00 56.01 52.77 3huf n LEU 11 Cb 0.39 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3huf n LEU 11 CO 0.28 0.74 -0.15 0.29 -1.33 0.00 0.00 177.39 177.22 3huf n LYS 12 N -0.97 -0.98 -1.02 3.23 5.02 -0.78 -2.26 118.16 120.41 3huf n LYS 12 Ca 0.20 0.77 -0.01 0.00 -2.02 0.00 0.00 58.31 57.25 3huf n LYS 12 Cb 0.79 -4.92 -0.00 0.00 -0.02 0.00 0.00 35.03 30.88 3huf n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huf n GLY 13 N -1.18 0.45 3.68 0.72 0.00 -1.26 -5.02 105.19 102.58 3huf n GLY 13 Ca -0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3huf n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huf s LYS 14 N -0.73 2.78 0.15 1.61 1.02 -0.96 -5.10 119.74 118.51 3huf s LYS 14 Ca 0.00 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 3huf s LYS 14 Cb 0.00 -2.67 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 3huf s LYS 14 CO 0.00 0.62 0.53 -1.12 -0.92 0.00 0.00 175.35 174.46 3huf s SER 15 N -1.55 6.76 -0.08 2.83 0.01 -1.26 -4.64 113.70 115.77 3huf s SER 15 Ca 0.19 1.01 0.02 0.00 1.31 0.00 0.00 55.95 58.48 3huf s SER 15 Cb -0.11 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.87 3huf s SER 15 CO 0.10 0.09 -0.14 -0.13 0.41 0.00 0.00 173.24 173.57 3huf s ARG 16 N -2.08 1.96 -0.06 12.44 1.81 -0.27 -3.75 118.95 129.00 3huf s ARG 16 Ca 0.38 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.61 3huf s ARG 16 Cb -0.14 -1.62 -0.02 0.00 -0.45 0.00 0.00 34.95 32.72 3huf s ARG 16 CO 0.19 0.01 0.99 0.42 -0.68 0.00 0.00 175.30 176.23 3huf s ILE 17 N 0.75 4.83 -0.49 1.52 1.01 -1.26 -0.31 121.20 127.25 3huf s ILE 17 Ca -0.12 2.03 -0.12 0.00 0.00 0.00 0.00 60.65 62.44 3huf s ILE 17 Cb -0.16 -4.31 0.12 0.00 0.01 0.00 0.00 42.46 38.12 3huf s ILE 17 CO 0.03 0.08 0.39 -0.76 0.00 0.00 0.00 174.94 174.67 3huf s LEU 18 N 1.55 5.80 0.77 2.97 1.43 0.36 -4.98 118.68 126.57 3huf s LEU 18 Ca 0.50 -1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 3huf s LEU 18 Cb -0.19 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.00 3huf s LEU 18 CO 0.22 -0.73 1.11 -0.36 0.23 0.00 0.00 176.35 176.83 3huf s PHE 19 N 1.46 2.39 0.18 0.29 2.99 -1.26 -4.17 117.98 119.86 3huf s PHE 19 Ca 0.05 1.60 -0.31 0.00 0.00 0.00 0.00 56.93 58.26 3huf s PHE 19 Cb -0.27 -3.16 -0.16 0.00 0.00 0.00 0.00 43.02 39.43 3huf s PHE 19 CO 0.01 -2.00 0.88 -2.30 -0.00 0.00 0.00 175.22 171.81 3huf n PRO 20 N -3.32 0.61 -1.10 0.24 -0.02 -1.26 -4.76 135.00 125.40 3huf n PRO 20 Ca 0.10 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3huf n PRO 20 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3huf n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huf n GLY 21 N 1.77 0.25 3.46 -1.23 0.00 -0.24 -4.95 105.19 104.26 3huf n GLY 21 Ca 0.16 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 3huf n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huf s THR 22 N -2.04 2.88 -0.04 2.61 2.01 -1.26 -1.04 115.64 118.75 3huf s THR 22 Ca 0.00 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 60.97 3huf s THR 22 Cb 0.00 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.34 3huf s THR 22 CO 0.00 0.41 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.99 3huf s TYR 23 N -0.87 0.69 -0.20 4.92 1.51 0.15 -4.56 117.35 119.00 3huf s TYR 23 Ca 0.14 -0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 55.91 3huf s TYR 23 Cb -0.11 -0.60 -0.05 0.00 -0.11 0.00 0.00 41.96 41.09 3huf s TYR 23 CO 0.04 -0.16 0.19 0.42 -1.11 0.00 0.00 175.55 174.94 3huf s ILE 24 N 0.75 5.36 -0.14 2.71 1.09 -0.26 -0.12 121.20 130.59 3huf s ILE 24 Ca -0.10 0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.77 3huf s ILE 24 Cb -0.13 -3.53 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 3huf s ILE 24 CO 0.00 0.39 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.37 3huf s VAL 25 N 0.66 2.58 0.05 2.92 1.01 0.25 -0.96 120.40 126.91 3huf s VAL 25 Ca 0.11 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 3huf s VAL 25 Cb -0.12 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.28 3huf s VAL 25 CO 0.02 0.53 1.20 -0.83 0.00 0.00 0.00 175.10 176.02 3huf s GLY 26 N 0.61 -0.11 0.37 4.51 0.00 -0.90 -0.62 107.32 111.17 3huf s GLY 26 Ca -0.09 0.05 0.20 0.00 0.00 0.00 0.00 44.72 44.88 3huf s GLY 26 CO 0.03 3.45 1.62 0.07 0.00 0.00 0.00 173.10 178.26 3huf h ARG 27 N 2.00 0.00 -0.14 2.90 0.11 -0.95 -1.43 114.38 116.86 3huf h ARG 27 Ca -0.25 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.71 3huf h ARG 27 Cb 1.20 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.16 3huf h ARG 27 CO 0.32 0.29 -0.62 -1.71 0.10 0.00 0.00 179.97 178.35 3huf n ASN 28 N -3.25 2.22 -4.79 0.08 5.15 -0.88 -4.68 115.26 109.12 3huf n ASN 28 Ca 0.02 -3.66 -0.26 0.00 -0.60 0.00 0.00 54.58 50.07 3huf n ASN 28 Cb 0.58 -0.47 -0.06 0.00 -0.53 0.00 0.00 39.78 39.30 3huf n ASN 28 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3huf s VAL 29 N -3.20 4.44 -0.13 3.44 0.11 -1.25 -4.95 120.40 118.86 3huf s VAL 29 Ca 0.40 -1.09 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 3huf s VAL 29 Cb 0.38 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 3huf s VAL 29 CO -0.06 -0.10 0.11 -0.94 -3.33 0.00 0.00 175.10 170.79 3huf s SER 30 N -3.06 6.16 0.09 3.54 1.04 -1.26 -4.42 113.70 115.79 3huf s SER 30 Ca 0.31 0.37 -0.31 0.00 0.48 0.00 0.00 55.95 56.80 3huf s SER 30 Cb -0.10 -1.98 -0.09 0.00 0.10 0.00 0.00 66.02 63.94 3huf s SER 30 CO 0.23 0.36 1.77 -1.81 0.98 0.00 0.00 173.24 174.77 3huf s ASP 31 N -0.73 6.50 0.00 7.02 1.01 -1.26 -4.62 116.67 124.59 3huf s ASP 31 Ca 0.13 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.03 3huf s ASP 31 Cb -0.12 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3huf s ASP 31 CO 0.03 -0.96 0.00 -0.90 0.21 0.00 0.00 175.17 173.54 3huf n ASP 32 N 5.81 0.00 0.15 0.27 5.68 -1.02 -4.97 116.55 122.48 3huf n ASP 32 Ca 0.17 -0.59 0.11 0.00 -0.50 0.00 0.00 54.79 53.98 3huf n ASP 32 Cb 0.39 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 40.93 3huf n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3huf n SER 33 N -0.90 0.60 -0.20 -1.12 3.41 -1.26 -2.79 113.62 111.37 3huf n SER 33 Ca 0.00 0.73 0.03 0.00 -0.26 0.00 0.00 58.87 59.37 3huf n SER 33 Cb 0.00 -0.83 0.04 0.00 -0.26 0.00 0.00 64.21 63.16 3huf n SER 33 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3huf n SER 34 N -2.26 0.99 -3.82 4.04 3.41 -1.26 -4.92 113.62 109.80 3huf n SER 34 Ca -0.00 -2.11 -0.12 0.00 -0.26 0.00 0.00 58.87 56.37 3huf n SER 34 Cb 0.10 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 3huf n SER 34 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3huf s HIS 35 N -0.98 -0.17 -0.17 7.33 3.76 -1.12 -1.11 115.29 122.83 3huf s HIS 35 Ca 0.09 0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.42 3huf s HIS 35 Cb 0.08 0.06 0.04 0.00 1.11 0.00 0.00 32.58 33.87 3huf s HIS 35 CO 0.01 -0.12 -0.04 0.42 -0.85 0.00 0.00 174.74 174.16 3huf s ILE 36 N -0.09 1.02 0.02 0.60 1.01 -0.14 -2.43 121.20 121.20 3huf s ILE 36 Ca -0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 3huf s ILE 36 Cb -0.02 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 3huf s ILE 36 CO 0.00 0.08 0.72 -1.58 0.00 0.00 0.00 174.94 174.17 3huf s GLN 37 N 1.66 4.45 -0.19 2.79 0.74 -1.26 -2.13 119.66 125.73 3huf s GLN 37 Ca 0.00 0.97 -0.03 0.00 0.05 0.00 0.00 55.36 56.36 3huf s GLN 37 Cb -0.16 -3.37 0.06 0.00 1.10 0.00 0.00 33.01 30.64 3huf s GLN 37 CO -0.07 0.26 0.03 0.08 -0.55 0.00 0.00 175.29 175.04 3huf s VAL 38 N 0.05 0.53 -0.46 1.34 1.01 -0.54 -4.73 120.40 117.61 3huf s VAL 38 Ca 0.37 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 3huf s VAL 38 Cb -0.20 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.22 3huf s VAL 38 CO 0.21 -0.17 0.48 -0.63 0.00 0.00 0.00 175.10 174.99 3huf s ILE 39 N 1.86 5.06 -0.17 2.22 1.01 -1.24 -3.32 121.20 126.62 3huf s ILE 39 Ca -0.01 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 3huf s ILE 39 Cb -0.17 -4.14 0.07 0.00 0.01 0.00 0.00 42.46 38.23 3huf s ILE 39 CO -0.08 -0.58 0.73 -0.55 0.00 0.00 0.00 174.94 174.46 3huf s SER 40 N 2.29 -0.68 0.36 3.58 0.15 -1.26 -4.83 113.70 113.31 3huf s SER 40 Ca 0.11 1.08 0.05 0.00 0.70 0.00 0.00 55.95 57.88 3huf s SER 40 Cb -0.20 1.01 0.68 0.00 -1.71 0.00 0.00 66.02 65.80 3huf s SER 40 CO 0.11 -0.40 1.95 0.07 1.20 0.00 0.00 173.24 176.18 3huf h LYS 41 N 4.03 0.59 -0.00 5.44 2.10 -2.00 -2.21 116.57 124.53 3huf h LYS 41 Ca -0.28 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 3huf h LYS 41 Cb 1.15 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3huf h LYS 41 CO 0.21 0.50 -0.17 -1.13 -2.00 0.00 0.00 179.45 176.86 3huf n SER 42 N -4.37 0.30 -4.69 7.07 3.41 -1.26 -4.73 113.62 109.35 3huf n SER 42 Ca 0.03 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 3huf n SER 42 Cb 0.15 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3huf n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3huf s ILE 43 N -2.79 4.82 0.78 -1.33 1.01 -0.83 -4.38 121.20 118.47 3huf s ILE 43 Ca 0.19 1.93 -0.13 0.00 0.00 0.00 0.00 60.65 62.64 3huf s ILE 43 Cb 0.19 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.46 3huf s ILE 43 CO 0.55 0.03 1.18 -0.44 0.00 0.00 0.00 174.94 176.26 3huf s SER 44 N 1.09 3.96 0.24 3.58 0.01 -1.26 -4.36 113.70 116.95 3huf s SER 44 Ca 0.46 2.25 -0.05 0.00 1.31 0.00 0.00 55.95 59.92 3huf s SER 44 Cb -0.18 -2.58 0.41 0.00 0.21 0.00 0.00 66.02 63.89 3huf s SER 44 CO 0.17 -2.41 1.76 0.11 0.41 0.00 0.00 173.24 173.28 3huf h LYS 45 N -0.74 0.53 -4.54 12.44 1.57 -1.94 -0.90 116.57 122.99 3huf h LYS 45 Ca -0.46 -0.03 -0.63 0.00 -1.87 0.00 0.00 60.65 57.65 3huf h LYS 45 Cb 1.28 -0.12 -0.38 0.00 0.08 0.00 0.00 32.23 33.09 3huf h LYS 45 CO 0.48 0.35 -0.79 1.03 -0.57 0.00 0.00 179.45 179.95 3huf s ARG 46 N -6.03 1.85 -0.19 3.15 0.52 -1.26 -2.07 118.95 114.92 3huf s ARG 46 Ca -0.12 -1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 53.84 3huf s ARG 46 Cb 0.20 -2.70 -0.08 0.00 0.52 0.00 0.00 34.95 32.88 3huf s ARG 46 CO 0.77 -0.59 -0.27 1.58 0.02 0.00 0.00 175.30 176.80 3huf n HIS 47 N 4.58 0.00 -4.20 -0.53 -0.00 0.20 -4.80 115.22 110.47 3huf n HIS 47 Ca -0.13 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.93 3huf n HIS 47 Cb 0.43 -0.66 -0.10 0.00 -0.12 0.00 0.00 29.99 29.55 3huf n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3huf s ALA 48 N -2.46 1.16 -0.14 1.57 0.00 -0.59 -0.49 121.76 120.80 3huf s ALA 48 Ca -0.27 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.25 3huf s ALA 48 Cb 0.09 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 3huf s ALA 48 CO 0.36 -0.25 -0.18 0.50 0.00 0.00 0.00 175.76 176.19 3huf s ARG 49 N -3.86 3.18 -0.19 0.00 3.52 -0.00 -0.58 118.95 121.02 3huf s ARG 49 Ca 0.17 -0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 54.89 3huf s ARG 49 Cb 0.05 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.87 3huf s ARG 49 CO -0.01 0.09 0.12 -0.06 -0.81 0.00 0.00 175.30 174.62 3huf s PHE 50 N 0.62 3.39 -0.12 5.12 0.08 0.83 -1.09 117.98 126.81 3huf s PHE 50 Ca -0.10 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.26 3huf s PHE 50 Cb -0.16 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3huf s PHE 50 CO 0.03 0.28 -0.19 0.99 -0.10 0.00 0.00 175.22 176.23 3huf s THR 51 N 0.32 1.77 -0.20 0.64 2.01 -0.40 0.35 115.64 120.13 3huf s THR 51 Ca 0.07 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3huf s THR 51 Cb -0.11 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.82 3huf s THR 51 CO -0.01 0.49 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.67 3huf s ILE 52 N 0.86 2.83 0.42 1.82 1.01 -0.21 0.22 121.20 128.14 3huf s ILE 52 Ca -0.08 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 3huf s ILE 52 Cb -0.15 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.97 3huf s ILE 52 CO -0.01 0.47 0.89 -0.76 0.00 0.00 0.00 174.94 175.54 3huf s LEU 53 N 1.39 3.90 0.59 2.97 1.43 -0.02 -1.08 118.68 127.87 3huf s LEU 53 Ca 0.05 1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 54.49 3huf s LEU 53 Cb -0.14 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 3huf s LEU 53 CO -0.07 -0.37 1.25 0.28 0.23 0.00 0.00 176.35 177.67 3huf s THR 54 N -2.23 2.41 0.69 5.49 -1.32 -1.26 -4.12 115.64 115.30 3huf s THR 54 Ca 0.59 0.27 -0.14 0.00 -1.21 0.00 0.00 61.69 61.19 3huf s THR 54 Cb -0.10 -3.12 0.02 0.00 -1.51 0.00 0.00 72.50 67.79 3huf s THR 54 CO 0.19 -0.04 1.12 -2.16 -2.21 0.00 0.00 174.62 171.52 3huf s PRO 55 N -3.22 2.60 0.35 7.08 0.04 -1.26 -4.75 135.00 135.83 3huf s PRO 55 Ca 0.77 1.41 0.07 0.00 0.04 0.00 0.00 61.00 63.29 3huf s PRO 55 Cb -0.34 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 3huf s PRO 55 CO 0.37 -1.41 0.47 -1.12 0.04 0.00 0.00 177.00 175.36 3huf s SER 56 N -2.61 5.89 0.40 6.66 0.01 -1.26 -5.03 113.70 117.76 3huf s SER 56 Ca 0.67 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.78 3huf s SER 56 Cb -0.21 -1.14 0.85 0.00 0.21 0.00 0.00 66.02 65.73 3huf s SER 56 CO 0.44 -0.47 2.00 -0.08 0.41 0.00 0.00 173.24 175.54 3huf h GLU 57 N 0.88 0.58 -0.92 12.44 4.57 -1.97 -2.22 114.58 127.94 3huf h GLU 57 Ca -0.45 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 57.84 3huf h GLU 57 Cb 1.26 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.64 3huf h GLU 57 CO 0.52 0.39 0.59 1.57 -1.18 0.00 0.00 179.01 180.90 3huf h LYS 58 N 0.60 0.75 0.00 1.92 2.10 -1.97 -2.65 116.57 117.31 3huf h LYS 58 Ca 0.25 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.80 3huf h LYS 58 Cb 0.23 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 3huf h LYS 58 CO -0.07 0.49 -0.27 -0.44 -2.00 0.00 0.00 179.45 177.16 3huf h ASP 59 N 0.77 0.00 -0.60 7.07 3.32 -1.71 -1.09 116.42 124.18 3huf h ASP 59 Ca 0.47 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.60 3huf h ASP 59 Cb 0.68 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3huf h ASP 59 CO -0.23 0.27 0.40 0.22 -1.72 0.00 0.00 179.24 178.18 3huf h TYR 60 N 0.00 0.50 0.03 4.55 3.20 -1.59 -0.30 116.97 123.36 3huf h TYR 60 Ca -0.00 0.01 -0.34 0.00 3.14 0.00 0.00 58.73 61.54 3huf h TYR 60 Cb 0.50 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 3huf h TYR 60 CO 0.00 0.25 -2.00 1.19 -1.64 0.00 0.00 178.16 175.96 3huf n PHE 61 N -4.47 0.76 0.08 -3.82 3.01 -0.52 -4.40 117.46 108.10 3huf n PHE 61 Ca 0.09 0.23 0.10 0.00 1.01 0.00 0.00 57.45 58.87 3huf n PHE 61 Cb 0.31 -1.12 -0.03 0.00 -0.01 0.00 0.00 39.48 38.63 3huf n PHE 61 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3huf n THR 62 N -3.12 0.67 -1.06 4.37 -2.24 -0.56 -4.05 114.28 108.28 3huf n THR 62 Ca -0.27 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 60.92 3huf n THR 62 Cb 1.07 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 3huf n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huf n GLY 63 N 1.22 0.53 3.80 3.38 0.00 -0.13 -4.91 105.19 109.09 3huf n GLY 63 Ca -0.02 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3huf n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huf s GLY 64 N -2.39 2.06 0.51 -0.02 0.00 -1.23 -4.97 107.32 101.28 3huf s GLY 64 Ca 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 44.72 45.00 3huf s GLY 64 CO 0.00 0.68 0.87 2.56 0.00 0.00 0.00 173.10 177.21 3huf s PRO 65 N -4.23 3.61 0.29 2.90 0.04 -1.26 -4.82 135.00 131.53 3huf s PRO 65 Ca 0.63 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 3huf s PRO 65 Cb -0.16 -2.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.97 3huf s PRO 65 CO 0.40 -0.30 1.36 0.00 0.04 0.00 0.00 177.00 178.51 3huf s GLU 67 N -1.11 4.18 -0.25 0.00 2.12 -1.26 -4.80 118.70 117.58 3huf s GLU 67 Ca 0.62 2.46 0.03 0.00 0.36 0.00 0.00 54.97 58.44 3huf s GLU 67 Cb -0.60 -3.06 0.05 0.00 0.26 0.00 0.00 34.13 30.79 3huf s GLU 67 CO 0.56 -0.54 -0.12 0.12 -0.54 0.00 0.00 175.26 174.74 3huf s PHE 68 N -0.03 3.21 -0.02 5.30 5.36 -0.46 -0.84 117.98 130.49 3huf s PHE 68 Ca 0.61 -2.23 -0.00 0.00 -0.96 0.00 0.00 56.93 54.35 3huf s PHE 68 Cb -0.45 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 3huf s PHE 68 CO 0.46 -0.87 0.05 -1.21 -1.46 0.00 0.00 175.22 172.20 3huf s GLU 69 N 1.13 2.98 -0.09 10.12 2.02 0.13 -0.98 118.70 134.02 3huf s GLU 69 Ca -0.07 -0.50 0.02 0.00 0.02 0.00 0.00 54.97 54.44 3huf s GLU 69 Cb -0.19 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.24 3huf s GLU 69 CO -0.06 0.65 -0.15 0.08 0.02 0.00 0.00 175.26 175.80 3huf s VAL 70 N -1.12 1.43 -0.14 2.63 1.01 -0.53 -1.27 120.40 122.42 3huf s VAL 70 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3huf s VAL 70 Cb -0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3huf s VAL 70 CO 0.11 0.42 -0.15 -0.54 0.00 0.00 0.00 175.10 174.95 3huf s LYS 71 N 0.76 3.28 0.03 2.72 1.02 -0.25 -1.58 119.74 125.73 3huf s LYS 71 Ca -0.12 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 3huf s LYS 71 Cb -0.16 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3huf s LYS 71 CO 0.02 0.13 1.01 0.34 -0.92 0.00 0.00 175.35 175.92 3huf s ASP 72 N 0.55 7.35 -1.15 2.83 2.15 -1.26 -0.82 116.67 126.33 3huf s ASP 72 Ca -0.09 1.74 -0.04 0.00 0.43 0.00 0.00 52.55 54.58 3huf s ASP 72 Cb -0.16 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 40.06 3huf s ASP 72 CO 0.04 -0.25 2.27 0.18 -0.17 0.00 0.00 175.17 177.24 3huf n LEU 73 N 3.68 7.71 -4.08 -1.34 4.77 0.35 -4.76 117.00 123.33 3huf n LEU 73 Ca 0.06 -4.93 -0.32 0.00 -0.03 0.00 0.00 56.01 50.79 3huf n LEU 73 Cb 0.50 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 3huf n LEU 73 CO 0.52 2.02 -0.30 0.47 -1.33 0.00 0.00 177.39 178.77 3huf n ASP 74 N 1.11 -0.94 -4.88 -1.43 9.92 -1.26 -4.89 116.55 114.17 3huf n ASP 74 Ca 0.57 -1.16 -0.29 0.00 -0.53 0.00 0.00 54.79 53.38 3huf n ASP 74 Cb 0.28 -2.31 -0.02 0.00 -0.64 0.00 0.00 41.12 38.43 3huf n ASP 74 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3huf s THR 75 N -4.00 4.81 0.14 -3.53 -4.23 -1.26 -4.99 115.64 102.58 3huf s THR 75 Ca 0.13 0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 60.97 3huf s THR 75 Cb -0.06 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.01 3huf s THR 75 CO 0.94 -0.65 1.70 0.50 -0.54 0.00 0.00 174.62 176.57 3huf h LYS 76 N 0.87 0.04 -0.02 3.99 3.64 -1.92 -3.28 116.57 119.89 3huf h LYS 76 Ca -0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3huf h LYS 76 Cb 1.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3huf h LYS 76 CO 0.63 0.03 -0.11 1.19 -2.27 0.00 0.00 179.45 178.92 3huf n PHE 77 N -5.19 0.00 -0.35 1.91 3.01 -1.26 -5.09 117.46 110.49 3huf n PHE 77 Ca -0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 3huf n PHE 77 Cb 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.61 3huf n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3huf n GLY 78 N 1.11 -2.18 2.97 1.37 0.00 -1.24 -4.41 105.19 102.81 3huf n GLY 78 Ca 0.10 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 3huf n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huf s THR 79 N -1.27 0.42 0.15 2.61 2.01 -1.26 -0.17 115.64 118.12 3huf s THR 79 Ca 0.00 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.73 3huf s THR 79 Cb 0.00 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3huf s THR 79 CO 0.00 0.03 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.22 3huf s LYS 80 N -0.37 1.27 -0.08 4.92 1.02 0.01 -0.42 119.74 126.10 3huf s LYS 80 Ca -0.00 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.63 3huf s LYS 80 Cb -0.03 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 3huf s LYS 80 CO -0.00 0.31 -0.05 0.08 -0.92 0.00 0.00 175.35 174.76 3huf s VAL 81 N -1.73 0.74 -1.37 3.17 1.01 -0.40 -0.52 120.40 121.31 3huf s VAL 81 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 3huf s VAL 81 Cb -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.53 3huf s VAL 81 CO 0.06 0.30 0.43 0.59 0.00 0.00 0.00 175.10 176.48 3huf n ASN 82 N 4.61 -1.39 0.00 3.32 3.02 0.30 -1.55 115.26 123.57 3huf n ASN 82 Ca -0.16 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3huf n ASN 82 Cb 0.50 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 3huf n ASN 82 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3huf n GLU 83 N -4.50 -0.66 -3.70 3.52 1.02 -1.26 -4.96 120.64 110.09 3huf n GLU 83 Ca -0.25 0.16 -0.37 0.00 -0.02 0.00 0.00 57.16 56.68 3huf n GLU 83 Cb 0.66 -4.31 -0.11 0.00 -0.02 0.00 0.00 31.44 27.66 3huf n GLU 83 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3huf s LYS 84 N -1.13 3.89 0.09 3.49 2.20 -0.60 -5.04 119.74 122.64 3huf s LYS 84 Ca 0.00 -0.36 -0.35 0.00 -0.36 0.00 0.00 55.97 54.90 3huf s LYS 84 Cb 0.00 -3.48 -0.14 0.00 -1.51 0.00 0.00 37.83 32.70 3huf s LYS 84 CO 0.00 -0.08 1.59 0.28 -0.36 0.00 0.00 175.35 176.77 3huf n VAL 85 N 4.69 0.10 -2.46 4.02 0.31 -1.26 -1.28 118.33 122.46 3huf n VAL 85 Ca -0.15 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 3huf n VAL 85 Cb 0.52 -1.44 -0.02 0.00 -0.91 0.00 0.00 33.84 31.99 3huf n VAL 85 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3huf s VAL 86 N 1.42 4.21 1.08 2.52 1.01 0.44 -4.89 120.40 126.20 3huf s VAL 86 Ca 0.83 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 3huf s VAL 86 Cb -0.75 -4.19 0.25 0.00 0.00 0.00 0.00 36.38 31.70 3huf s VAL 86 CO 0.43 -0.45 1.25 -0.83 0.00 0.00 0.00 175.10 175.51 3huf s GLY 87 N 2.52 1.72 0.65 4.51 0.00 -1.26 -4.74 107.32 110.73 3huf s GLY 87 Ca 0.54 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 3huf s GLY 87 CO 0.21 -0.33 1.22 1.62 0.00 0.00 0.00 173.10 175.81 3huf s GLN 88 N -5.76 2.61 0.00 2.90 -0.44 -1.26 -2.75 119.66 114.96 3huf s GLN 88 Ca 0.74 1.82 0.00 0.00 -2.50 0.00 0.00 55.36 55.42 3huf s GLN 88 Cb -0.05 -1.88 0.00 0.00 -1.64 0.00 0.00 33.01 29.44 3huf s GLN 88 CO 0.54 -1.49 0.00 0.09 0.50 0.00 0.00 175.29 174.93 3huf n ASN 89 N -2.08 0.00 0.00 6.67 5.03 -1.26 -4.89 115.26 118.73 3huf n ASN 89 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 3huf n ASN 89 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 3huf n ASN 89 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3huf n GLY 90 N -0.59 -0.14 3.18 7.41 0.00 -1.11 -4.96 105.19 108.98 3huf n GLY 90 Ca 0.00 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 3huf n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huf s ASP 91 N -1.51 1.70 -0.06 1.61 -0.00 -0.61 -4.70 116.67 113.10 3huf s ASP 91 Ca 0.00 -0.66 -0.00 0.00 -0.00 0.00 0.00 52.55 51.89 3huf s ASP 91 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 42.92 42.84 3huf s ASP 91 CO 0.00 -0.10 -0.03 -0.44 -0.00 0.00 0.00 175.17 174.60 3huf s SER 92 N -1.90 4.98 0.00 0.27 0.01 -1.26 -1.45 113.70 114.35 3huf s SER 92 Ca 0.00 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.34 3huf s SER 92 Cb -0.09 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 3huf s SER 92 CO 0.02 0.35 -0.11 -0.31 0.41 0.00 0.00 173.24 173.60 3huf s TYR 93 N -0.90 0.99 -0.10 2.43 1.51 -0.15 -4.99 117.35 116.13 3huf s TYR 93 Ca 0.14 -0.23 0.15 0.00 -1.01 0.00 0.00 57.07 56.12 3huf s TYR 93 Cb -0.11 -0.62 0.23 0.00 -0.11 0.00 0.00 41.96 41.35 3huf s TYR 93 CO 0.04 -0.01 1.12 1.63 -1.11 0.00 0.00 175.55 177.21 3huf n LYS 94 N 2.55 1.12 -2.44 -0.62 4.01 -1.26 -1.35 118.16 120.17 3huf n LYS 94 Ca -0.15 -2.27 -0.25 0.00 -0.51 0.00 0.00 58.31 55.13 3huf n LYS 94 Cb 0.56 -1.31 0.04 0.00 -0.51 0.00 0.00 35.03 33.81 3huf n LYS 94 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3huf s GLU 95 N -2.33 2.57 0.00 1.97 2.02 -1.26 -4.57 118.70 117.09 3huf s GLU 95 Ca 0.26 -0.34 0.23 0.00 0.02 0.00 0.00 54.97 55.13 3huf s GLU 95 Cb 0.22 -2.32 0.47 0.00 0.10 0.00 0.00 34.13 32.61 3huf s GLU 95 CO 0.02 -0.87 1.43 1.63 0.02 0.00 0.00 175.26 177.50 3huf n LYS 96 N -2.60 2.44 -3.55 1.61 5.02 -1.26 -4.79 118.16 115.03 3huf n LYS 96 Ca 0.06 -2.18 -0.12 0.00 -2.02 0.00 0.00 58.31 54.05 3huf n LYS 96 Cb 0.59 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 3huf n LYS 96 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3huf s ASP 97 N -1.46 0.42 -0.08 4.39 1.01 -1.26 -0.63 116.67 119.07 3huf s ASP 97 Ca 0.39 0.42 0.02 0.00 0.71 0.00 0.00 52.55 54.08 3huf s ASP 97 Cb 0.22 0.85 0.01 0.00 1.01 0.00 0.00 42.92 45.02 3huf s ASP 97 CO 0.31 -0.27 -0.14 -0.76 0.21 0.00 0.00 175.17 174.53 3huf s LEU 98 N 2.47 1.68 -0.41 1.23 1.43 0.12 -4.97 118.68 120.23 3huf s LEU 98 Ca 0.05 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3huf s LEU 98 Cb -0.14 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.20 3huf s LEU 98 CO -0.12 0.04 0.29 -0.54 0.23 0.00 0.00 176.35 176.25 3huf s LYS 99 N 0.72 2.91 -0.29 1.70 1.02 -1.26 -0.49 119.74 124.05 3huf s LYS 99 Ca -0.13 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.65 3huf s LYS 99 Cb -0.16 -3.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 3huf s LYS 99 CO 0.03 -0.79 0.17 0.42 -0.92 0.00 0.00 175.35 174.27 3huf s ILE 100 N 1.63 4.97 -0.33 2.17 1.01 0.14 -0.54 121.20 130.25 3huf s ILE 100 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 3huf s ILE 100 Cb -0.20 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 3huf s ILE 100 CO 0.08 0.17 0.18 -1.58 0.00 0.00 0.00 174.94 173.80 3huf s GLN 101 N 1.69 3.28 -0.28 2.79 0.74 0.32 -0.69 119.66 127.51 3huf s GLN 101 Ca 0.06 -0.77 -0.12 0.00 0.05 0.00 0.00 55.36 54.58 3huf s GLN 101 Cb -0.16 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 3huf s GLN 101 CO 0.09 -0.47 0.23 -0.51 -0.55 0.00 0.00 175.29 174.07 3huf s LEU 102 N 1.63 4.07 0.00 3.68 1.43 -1.26 -0.81 118.68 127.42 3huf s LEU 102 Ca 0.04 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3huf s LEU 102 Cb -0.17 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3huf s LEU 102 CO 0.07 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3huf n GLY 103 N 4.99 3.69 0.50 -3.19 0.00 0.76 -1.49 105.19 110.45 3huf n GLY 103 Ca -0.13 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3huf n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3huf n LYS 104 N 14.00 1.78 -1.63 1.61 5.02 -1.26 -4.81 118.16 132.87 3huf n LYS 104 Ca 0.00 -2.86 -0.48 0.00 -2.02 0.00 0.00 58.31 52.95 3huf n LYS 104 Cb 0.00 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.32 3huf n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3huf n PRO 106 N 2.62 0.03 -4.60 0.00 -0.04 -1.26 -4.65 135.00 127.09 3huf n PRO 106 Ca 0.16 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.70 3huf n PRO 106 Cb 0.26 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 3huf n PRO 106 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3huf s PHE 107 N -2.91 1.52 0.14 0.54 0.40 -1.26 -5.11 117.98 111.30 3huf s PHE 107 Ca 0.05 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3huf s PHE 107 Cb 0.06 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 3huf s PHE 107 CO 0.16 0.03 0.35 0.95 0.70 0.00 0.00 175.22 177.41 3huf s THR 108 N -0.67 5.21 -0.37 0.64 -4.23 -1.26 -4.76 115.64 110.21 3huf s THR 108 Ca 0.05 -0.13 -0.27 0.00 -1.18 0.00 0.00 61.69 60.16 3huf s THR 108 Cb -0.08 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.13 3huf s THR 108 CO 0.01 0.01 0.99 -0.63 -0.54 0.00 0.00 174.62 174.46 3huf s ILE 109 N -1.68 4.52 -0.51 2.99 -1.09 0.13 -4.41 121.20 121.14 3huf s ILE 109 Ca 0.39 1.35 -0.18 0.00 -2.23 0.00 0.00 60.65 59.98 3huf s ILE 109 Cb -0.12 -4.39 0.07 0.00 -1.58 0.00 0.00 42.46 36.44 3huf s ILE 109 CO 0.26 -0.58 0.60 0.20 -1.23 0.00 0.00 174.94 174.19 3huf s ASN 110 N 1.88 6.21 -0.07 3.58 0.01 -0.27 0.24 114.94 126.51 3huf s ASN 110 Ca 0.41 -1.07 -0.21 0.00 -0.71 0.00 0.00 52.86 51.29 3huf s ASN 110 Cb -0.11 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3huf s ASN 110 CO 0.19 -0.88 0.59 0.00 -1.51 0.00 0.00 177.10 175.49 3huf s ALA 111 N 2.46 3.42 0.01 0.60 0.00 0.36 -1.83 121.76 126.78 3huf s ALA 111 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3huf s ALA 111 Cb -0.21 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3huf s ALA 111 CO 0.10 -0.01 -0.02 1.52 0.00 0.00 0.00 175.76 177.35 3huf s TYR 112 N 0.54 0.18 -0.30 0.00 -0.85 0.65 -0.70 117.35 116.86 3huf s TYR 112 Ca 0.32 -0.15 -0.26 0.00 -0.52 0.00 0.00 57.07 56.46 3huf s TYR 112 Cb -0.17 -0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.06 3huf s TYR 112 CO 0.15 -0.04 0.91 -0.46 -1.52 0.00 0.00 175.55 174.59 3huf s TRP 113 N -0.40 3.20 -0.26 -3.49 -0.11 0.20 -1.29 118.94 116.79 3huf s TRP 113 Ca -0.03 1.01 -0.19 0.00 1.22 0.00 0.00 56.10 58.11 3huf s TRP 113 Cb -0.03 -3.39 -0.02 0.00 -1.50 0.00 0.00 33.47 28.53 3huf s TRP 113 CO -0.00 -0.63 0.55 0.50 -4.62 0.00 0.00 176.95 172.75 3huf s ARG 114 N 3.23 4.06 0.13 5.86 3.52 0.44 -4.93 118.95 131.25 3huf s ARG 114 Ca 0.38 0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 56.03 3huf s ARG 114 Cb -0.13 -3.66 -0.11 0.00 -1.56 0.00 0.00 34.95 29.49 3huf s ARG 114 CO 0.13 -0.39 1.84 0.43 -0.81 0.00 0.00 175.30 176.50 3huf n SER 115 N 5.61 4.08 -3.21 -2.12 7.64 -1.26 0.74 113.62 125.10 3huf n SER 115 Ca -0.03 0.99 -0.00 0.00 1.01 0.00 0.00 58.87 60.83 3huf n SER 115 Cb 0.49 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 3huf n SER 115 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3huf s MET 116 N 2.72 0.50 -0.05 1.43 0.00 -1.26 -4.76 119.30 117.89 3huf s MET 116 Ca 0.82 0.85 0.02 0.00 0.00 0.00 0.00 55.69 57.37 3huf s MET 116 Cb -0.47 0.23 0.02 0.00 0.00 0.00 0.00 34.83 34.60 3huf s MET 116 CO 0.37 -0.64 -0.08 0.00 0.00 0.00 0.00 175.02 174.67 3huf s ILE 118 N 0.67 2.90 0.11 0.00 1.01 -0.65 -0.50 121.20 124.74 3huf s ILE 118 Ca -0.11 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 3huf s ILE 118 Cb -0.14 -2.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.91 3huf s ILE 118 CO 0.01 0.37 0.62 -1.58 0.00 0.00 0.00 174.94 174.37 3huf s GLN 119 N 1.38 4.27 -0.06 2.79 0.74 0.03 -2.10 119.66 126.71 3huf s GLN 119 Ca 0.04 0.82 -0.01 0.00 0.05 0.00 0.00 55.36 56.26 3huf s GLN 119 Cb -0.15 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 3huf s GLN 119 CO -0.06 0.60 0.00 -0.06 -0.55 0.00 0.00 175.29 175.23 3huf s PHE 120 N -1.16 3.14 0.22 1.67 0.40 0.71 -0.63 117.98 122.33 3huf s PHE 120 Ca 0.32 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 3huf s PHE 120 Cb -0.20 -1.76 0.20 0.00 0.51 0.00 0.00 43.02 41.78 3huf s PHE 120 CO 0.21 0.47 1.55 0.22 0.70 0.00 0.00 175.22 178.36 3huf h ASP 121 N 4.92 0.44 -3.24 1.36 3.58 -1.63 -3.41 116.42 118.44 3huf h ASP 121 Ca -0.50 -0.24 -0.58 0.00 0.42 0.00 0.00 57.03 56.13 3huf h ASP 121 Cb 1.19 -0.13 -0.35 0.00 1.72 0.00 0.00 39.33 41.76 3huf h ASP 121 CO 0.55 0.91 -0.83 0.21 -2.88 0.00 0.00 179.24 177.20 3huf s ASN 122 N -6.91 2.44 0.29 2.28 3.84 -1.26 -5.01 114.94 110.61 3huf s ASN 122 Ca -0.06 -0.42 0.04 0.00 0.21 0.00 0.00 52.86 52.63 3huf s ASN 122 Cb 0.12 -1.08 0.67 0.00 -0.55 0.00 0.00 41.25 40.41 3huf s ASN 122 CO 0.82 -0.01 1.79 -0.65 -2.79 0.00 0.00 177.10 176.26 3huf h PRO 123 N 7.58 0.79 -0.01 0.43 0.11 -1.99 -1.59 132.00 137.32 3huf h PRO 123 Ca -0.32 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.55 3huf h PRO 123 Cb 1.16 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3huf h PRO 123 CO 0.49 0.52 -0.83 0.93 -0.21 0.00 0.00 178.00 178.91 3huf h GLU 124 N 0.82 0.19 -0.08 1.05 4.39 -1.99 -0.93 114.58 118.03 3huf h GLU 124 Ca 0.55 -0.20 -0.19 0.00 0.34 0.00 0.00 59.36 59.86 3huf h GLU 124 Cb 0.76 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3huf h GLU 124 CO -0.35 0.91 -0.74 1.98 -1.16 0.00 0.00 179.01 179.65 3huf h MET 125 N 0.11 0.42 -0.17 2.33 4.05 -1.92 -2.55 114.93 117.20 3huf h MET 125 Ca -0.04 -0.35 -0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3huf h MET 125 Cb 1.43 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.30 3huf h MET 125 CO 0.13 0.99 0.10 1.25 0.23 0.00 0.00 176.91 179.60 3huf h LEU 126 N 0.29 0.22 -0.92 3.39 5.85 -1.17 -2.41 115.31 120.54 3huf h LEU 126 Ca -0.03 -0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.79 3huf h LEU 126 Cb 1.33 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 3huf h LEU 126 CO 0.13 0.24 0.50 -1.28 -0.34 0.00 0.00 178.44 177.69 3huf h SER 127 N 0.18 0.59 -0.26 1.25 0.87 -1.07 0.24 113.55 115.35 3huf h SER 127 Ca 0.06 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3huf h SER 127 Cb 0.07 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3huf h SER 127 CO -0.01 0.18 0.04 -0.61 -0.53 0.00 0.00 176.83 175.90 3huf h GLN 128 N 0.62 0.44 0.00 2.24 4.15 -1.34 -3.38 115.11 117.84 3huf h GLN 128 Ca 0.54 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3huf h GLN 128 Cb 0.87 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.51 3huf h GLN 128 CO -0.41 0.56 -1.79 0.91 -1.93 0.00 0.00 178.83 176.17 3huf n TRP 129 N -4.67 0.00 -0.09 3.99 7.02 -0.66 -4.64 117.44 118.39 3huf n TRP 129 Ca -0.03 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.38 3huf n TRP 129 Cb 0.21 -0.40 -0.01 0.00 -2.42 0.00 0.00 31.31 28.69 3huf n TRP 129 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3huf h ALA 130 N 2.12 -0.08 -0.50 6.99 0.00 -0.74 -1.87 119.26 125.18 3huf h ALA 130 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3huf h ALA 130 Cb 0.88 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3huf h ALA 130 CO 0.00 -0.65 0.18 1.03 0.00 0.00 0.00 179.25 179.81 3huf h SER 131 N -0.22 0.71 0.03 0.00 0.87 -1.83 -0.11 113.55 113.00 3huf h SER 131 Ca 0.16 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 3huf h SER 131 Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3huf h SER 131 CO -0.45 0.71 -0.35 0.78 -0.53 0.00 0.00 176.83 176.98 3huf h ASN 132 N 0.68 0.46 -0.04 6.23 -0.26 -1.80 -2.44 115.58 118.40 3huf h ASN 132 Ca 0.17 -0.18 -0.20 0.00 -0.56 0.00 0.00 56.30 55.52 3huf h ASN 132 Cb 0.23 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3huf h ASN 132 CO -0.01 0.78 -0.70 -0.07 -1.06 0.00 0.00 177.43 176.37 3huf h LEU 133 N 0.38 0.79 -0.71 1.61 3.38 -1.03 -3.04 115.31 116.68 3huf h LEU 133 Ca 0.04 -0.49 0.13 0.00 0.09 0.00 0.00 57.88 57.66 3huf h LEU 133 Cb 0.79 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 3huf h LEU 133 CO 0.06 1.26 0.24 -1.13 0.09 0.00 0.00 178.44 178.97 3huf h ASN 134 N 0.48 0.18 0.68 -0.43 -1.24 -0.92 -0.73 115.58 113.60 3huf h ASN 134 Ca -0.03 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3huf h ASN 134 Cb 1.30 0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.47 3huf h ASN 134 CO 0.14 0.07 0.00 -0.07 -1.29 0.00 0.00 177.43 176.28 3huf h LEU 135 N 0.38 0.00 0.00 0.34 3.38 -1.33 -1.27 115.31 116.81 3huf h LEU 135 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3huf h LEU 135 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3huf h LEU 135 CO -0.41 0.00 -0.49 0.18 0.09 0.00 0.00 178.44 177.81 3huf n LEU 136 N -2.89 0.50 0.00 1.67 4.77 -0.61 -3.98 117.00 116.46 3huf n LEU 136 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3huf n LEU 136 Cb 0.22 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3huf n LEU 136 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3huf n GLY 137 N 1.46 1.13 3.18 -0.72 0.00 -0.48 -4.50 105.19 105.27 3huf n GLY 137 Ca 0.05 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3huf n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3huf s ILE 138 N -2.00 3.49 0.55 -0.61 1.01 -0.38 -4.39 121.20 118.87 3huf s ILE 138 Ca 0.00 -1.65 -0.21 0.00 0.00 0.00 0.00 60.65 58.79 3huf s ILE 138 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 3huf s ILE 138 CO 0.00 -0.46 1.32 -2.84 0.00 0.00 0.00 174.94 172.96 3huf s PRO 139 N 1.26 3.13 0.04 2.79 0.02 -1.26 -3.52 135.00 137.46 3huf s PRO 139 Ca 0.03 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.19 3huf s PRO 139 Cb -0.22 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 3huf s PRO 139 CO -0.01 -1.17 -0.05 -0.08 -0.33 0.00 0.00 177.00 175.36 3huf s THR 140 N -1.36 0.29 0.01 0.99 -1.32 -1.26 -1.64 115.64 111.35 3huf s THR 140 Ca 0.72 -1.14 -0.22 0.00 -1.21 0.00 0.00 61.69 59.84 3huf s THR 140 Cb -0.38 -0.62 0.07 0.00 -1.51 0.00 0.00 72.50 70.07 3huf s THR 140 CO 0.44 -0.56 1.00 0.61 -2.21 0.00 0.00 174.62 173.91 3huf n GLY 141 N 1.26 0.37 0.38 6.08 0.00 -0.89 -4.84 105.19 107.55 3huf n GLY 141 Ca -0.22 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 3huf n GLY 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3huf n LEU 142 N 0.00 1.64 -4.78 0.99 7.99 -1.26 -0.21 117.00 121.37 3huf n LEU 142 Ca 0.03 0.12 -0.31 0.00 -0.01 0.00 0.00 56.01 55.84 3huf n LEU 142 Cb 0.47 -0.49 0.08 0.00 -0.11 0.00 0.00 43.42 43.37 3huf n LEU 142 CO 0.13 0.45 0.70 -0.13 -1.51 0.00 0.00 177.39 177.04 3huf s ARG 143 N -2.30 2.42 0.33 3.23 3.00 -1.26 -4.68 118.95 119.69 3huf s ARG 143 Ca -0.22 1.15 -0.29 0.00 0.00 0.00 0.00 55.73 56.37 3huf s ARG 143 Cb 0.08 -1.92 -0.10 0.00 0.00 0.00 0.00 34.95 33.01 3huf s ARG 143 CO 0.30 -1.52 1.39 0.34 0.00 0.00 0.00 175.30 175.82 3huf s ASP 144 N -3.40 6.61 -0.03 0.23 -1.08 -1.26 -5.01 116.67 112.73 3huf s ASP 144 Ca 0.61 2.80 -0.04 0.00 -0.52 0.00 0.00 52.55 55.40 3huf s ASP 144 Cb -0.17 -2.65 0.01 0.00 -1.46 0.00 0.00 42.92 38.65 3huf s ASP 144 CO 0.55 -0.67 0.10 -0.55 0.52 0.00 0.00 175.17 175.12 3huf s SER 145 N -0.23 -0.07 0.00 -0.34 0.15 -1.26 -5.02 113.70 106.92 3huf s SER 145 Ca 0.52 0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.59 3huf s SER 145 Cb -0.42 0.21 1.59 0.00 -1.71 0.00 0.00 66.02 65.69 3huf s SER 145 CO 0.54 -0.09 2.06 0.47 1.20 0.00 0.00 173.24 177.43 3huf n ASP 146 N 2.75 0.26 -0.87 5.45 8.00 -1.26 -3.33 116.55 127.55 3huf n ASP 146 Ca -0.14 -0.78 0.12 0.00 0.71 0.00 0.00 54.79 54.70 3huf n ASP 146 Cb 0.59 -0.08 0.14 0.00 -0.02 0.00 0.00 41.12 41.75 3huf n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huf n ALA 147 N -0.92 2.55 -1.81 2.24 0.00 -1.26 -4.97 120.51 116.34 3huf n ALA 147 Ca 0.19 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 3huf n ALA 147 Cb 0.20 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3huf n ALA 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3huf s THR 148 N -2.04 2.28 -0.05 0.00 2.01 -1.21 -4.25 115.64 112.38 3huf s THR 148 Ca 0.28 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.57 3huf s THR 148 Cb 0.20 -3.13 -0.12 0.00 0.01 0.00 0.00 72.50 69.46 3huf s THR 148 CO 0.32 0.02 0.09 0.35 -0.69 0.00 0.00 174.62 174.72 3huf n THR 149 N 3.42 0.34 -4.19 -0.82 -2.24 0.35 -4.92 114.28 106.24 3huf n THR 149 Ca 0.13 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 3huf n THR 149 Cb 0.37 -0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 3huf n THR 149 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3huf s HIS 150 N -2.37 0.80 -0.12 4.78 3.76 -0.90 -2.91 115.29 118.34 3huf s HIS 150 Ca -0.04 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 3huf s HIS 150 Cb 0.04 -0.48 0.02 0.00 1.11 0.00 0.00 32.58 33.26 3huf s HIS 150 CO 0.35 -0.02 -0.13 0.12 -0.85 0.00 0.00 174.74 174.21 3huf s PHE 151 N -0.85 1.92 -0.50 1.40 5.36 -0.08 -0.79 117.98 124.43 3huf s PHE 151 Ca -0.03 -0.98 -0.20 0.00 -0.96 0.00 0.00 56.93 54.77 3huf s PHE 151 Cb -0.07 -1.43 0.05 0.00 -0.34 0.00 0.00 43.02 41.23 3huf s PHE 151 CO 0.01 -0.55 0.67 0.08 -1.46 0.00 0.00 175.22 173.97 3huf s VAL 152 N 1.30 4.80 0.53 3.12 1.01 0.20 -0.21 120.40 131.14 3huf s VAL 152 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3huf s VAL 152 Cb -0.14 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3huf s VAL 152 CO -0.06 -0.80 0.92 0.00 0.00 0.00 0.00 175.10 175.16 3huf s MET 153 N 2.85 3.69 0.19 2.72 0.23 -0.88 -1.65 119.30 126.44 3huf s MET 153 Ca 0.19 0.61 -0.31 0.00 -1.03 0.00 0.00 55.69 55.15 3huf s MET 153 Cb -0.17 -2.21 -0.10 0.00 -1.53 0.00 0.00 34.83 30.82 3huf s MET 153 CO 0.14 -0.33 1.53 1.21 -2.03 0.00 0.00 175.02 175.53 3huf s ASN 154 N -3.77 6.61 -0.08 -1.18 3.84 -1.26 -4.59 114.94 114.51 3huf s ASN 154 Ca 0.53 2.62 -0.00 0.00 0.21 0.00 0.00 52.86 56.22 3huf s ASN 154 Cb -0.10 -2.60 0.07 0.00 -0.55 0.00 0.00 41.25 38.06 3huf s ASN 154 CO 0.43 -0.79 1.79 -1.14 -2.79 0.00 0.00 177.10 174.61 3huf n ARG 155 N 3.52 1.21 -3.13 0.43 0.63 -1.26 -4.78 116.66 113.28 3huf n ARG 155 Ca 0.12 -0.42 -0.45 0.00 -0.92 0.00 0.00 57.85 56.18 3huf n ARG 155 Cb 0.39 -1.16 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 3huf n ARG 155 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3huf s GLN 156 N -0.48 3.32 0.04 -0.14 2.00 -1.26 -5.02 119.66 118.12 3huf s GLN 156 Ca 0.08 -1.74 -0.30 0.00 -2.00 0.00 0.00 55.36 51.40 3huf s GLN 156 Cb 0.07 -4.47 -0.07 0.00 0.80 0.00 0.00 33.01 29.34 3huf s GLN 156 CO 0.00 -1.53 1.58 0.00 -0.50 0.00 0.00 175.29 174.84 3huf s ALA 157 N 2.01 3.65 0.00 1.58 0.00 -1.26 -3.04 121.76 124.69 3huf s ALA 157 Ca 0.18 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3huf s ALA 157 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3huf s ALA 157 CO -0.02 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3huf n GLY 158 N 3.90 3.01 3.77 0.00 0.00 -1.26 -5.08 105.19 109.53 3huf n GLY 158 Ca 0.15 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3huf n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3huf s SER 159 N -0.01 6.61 0.50 1.61 1.04 -1.17 -4.99 113.70 117.30 3huf s SER 159 Ca 0.00 2.44 -0.22 0.00 0.48 0.00 0.00 55.95 58.66 3huf s SER 159 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 3huf s SER 159 CO 0.00 -0.62 1.18 -0.94 0.98 0.00 0.00 173.24 173.84 3huf s SER 160 N -0.94 5.88 0.21 7.02 1.04 -1.26 -4.95 113.70 120.70 3huf s SER 160 Ca 0.54 2.33 -0.32 0.00 0.48 0.00 0.00 55.95 58.98 3huf s SER 160 Cb -0.33 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.05 3huf s SER 160 CO 0.43 -1.12 1.42 0.00 0.98 0.00 0.00 173.24 174.95 3huf n ILE 161 N -0.85 0.73 -1.70 -1.02 3.06 -1.26 -5.01 119.36 113.31 3huf n ILE 161 Ca 0.09 -0.18 -0.31 0.00 -2.50 0.00 0.00 62.75 59.85 3huf n ILE 161 Cb 0.49 -1.42 0.03 0.00 0.54 0.00 0.00 39.64 39.28 3huf n ILE 161 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3huf s THR 162 N 0.14 4.26 0.23 9.51 -4.23 -1.26 -4.94 115.64 119.35 3huf s THR 162 Ca 0.71 0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 61.91 3huf s THR 162 Cb -0.68 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 69.78 3huf s THR 162 CO 0.47 -0.94 1.84 0.58 -0.54 0.00 0.00 174.62 176.03 3huf h VAL 163 N -0.51 1.02 -0.90 2.29 2.07 -1.99 -1.74 116.25 116.49 3huf h VAL 163 Ca -0.44 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 66.90 3huf h VAL 163 Cb 1.20 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 3huf h VAL 163 CO 0.59 0.16 0.52 1.23 0.02 0.00 0.00 177.57 180.09 3huf h GLY 164 N 0.87 1.46 0.94 2.17 0.00 -1.98 -0.54 103.07 106.00 3huf h GLY 164 Ca 0.35 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3huf h GLY 164 CO -0.18 0.08 -0.19 -0.84 0.00 0.00 0.00 176.54 175.41 3huf h THR 165 N 0.80 1.30 -0.47 4.70 2.02 -1.77 -2.09 112.91 117.40 3huf h THR 165 Ca 0.46 -1.31 0.04 0.00 0.77 0.00 0.00 66.41 66.36 3huf h THR 165 Cb 0.53 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 3huf h THR 165 CO -0.30 0.42 0.24 0.24 0.37 0.00 0.00 175.52 176.50 3huf h MET 166 N 0.42 0.47 -0.57 6.66 0.00 -1.07 -1.42 114.93 119.42 3huf h MET 166 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 59.70 59.67 3huf h MET 166 Cb 0.73 -0.11 -0.02 0.00 0.00 0.00 0.00 31.60 32.20 3huf h MET 166 CO 0.05 0.31 0.08 -0.92 0.00 0.00 0.00 176.91 176.43 3huf h TYR 167 N 0.48 1.01 -0.41 -0.22 3.20 -1.05 -1.29 116.97 118.69 3huf h TYR 167 Ca 0.20 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3huf h TYR 167 Cb 0.09 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3huf h TYR 167 CO -0.10 0.89 0.18 0.00 -1.64 0.00 0.00 178.16 177.49 3huf h ALA 168 N 1.00 0.52 -0.30 1.82 0.00 -1.24 0.19 119.26 121.26 3huf h ALA 168 Ca 0.17 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3huf h ALA 168 Cb 0.43 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3huf h ALA 168 CO 0.01 0.11 0.04 0.35 0.00 0.00 0.00 179.25 179.76 3huf h PHE 169 N 0.51 0.06 -0.36 0.00 3.57 -1.12 0.22 116.94 119.83 3huf h PHE 169 Ca 0.14 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3huf h PHE 169 Cb 0.15 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3huf h PHE 169 CO -0.01 -0.00 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.84 3huf h LEU 170 N 0.14 0.65 0.00 0.59 3.38 -0.80 -2.23 115.31 117.04 3huf h LEU 170 Ca 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3huf h LEU 170 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3huf h LEU 170 CO -0.20 0.82 0.00 0.29 0.09 0.00 0.00 178.44 179.44 3huf n LYS 171 N -4.15 0.45 -1.97 1.13 5.02 0.02 -4.90 118.16 113.75 3huf n LYS 171 Ca 0.01 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3huf n LYS 171 Cb 0.38 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 3huf n LYS 171 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3huf n LYS 172 N -1.19 -0.94 -2.33 1.97 5.02 -0.84 -5.02 118.16 114.83 3huf n LYS 172 Ca 0.13 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.71 3huf n LYS 172 Cb 0.15 -4.83 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 3huf n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3huf s THR 173 N -2.57 3.20 -0.09 -0.18 2.01 0.03 -4.99 115.64 113.06 3huf s THR 173 Ca 0.00 1.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 3huf s THR 173 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3huf s THR 173 CO 0.00 0.28 1.52 -0.69 -0.69 0.00 0.00 174.62 175.04 3huf s VAL 174 N -1.05 3.82 -0.17 3.82 1.01 -1.14 -4.46 120.40 122.21 3huf s VAL 174 Ca 0.47 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 3huf s VAL 174 Cb -0.35 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3huf s VAL 174 CO 0.45 -0.09 0.32 -0.63 0.00 0.00 0.00 175.10 175.15 3huf s ILE 175 N 3.86 5.28 0.32 2.22 1.01 -1.26 -0.90 121.20 131.72 3huf s ILE 175 Ca 0.67 0.58 0.02 0.00 0.00 0.00 0.00 60.65 61.92 3huf s ILE 175 Cb -0.29 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3huf s ILE 175 CO 0.24 0.35 0.08 2.30 0.00 0.00 0.00 174.94 177.91 3huf n ILE 176 N 3.83 0.00 -4.38 2.92 -5.35 0.70 -3.55 119.36 113.53 3huf n ILE 176 Ca -0.11 -1.73 -0.20 0.00 -0.27 0.00 0.00 62.75 60.44 3huf n ILE 176 Cb 0.52 0.54 -0.09 0.00 -1.74 0.00 0.00 39.64 38.86 3huf n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3huf s ASP 177 N -2.87 1.83 0.41 7.28 -1.08 -1.26 -2.08 116.67 118.90 3huf s ASP 177 Ca 0.11 -1.54 0.21 0.00 -0.52 0.00 0.00 52.55 50.81 3huf s ASP 177 Cb 0.01 0.33 1.17 0.00 -1.46 0.00 0.00 42.92 42.97 3huf s ASP 177 CO 0.08 -0.85 1.75 -0.78 0.52 0.00 0.00 175.17 175.89 3huf h ASP 178 N 2.14 0.39 0.47 -0.34 -0.00 -1.97 -1.52 116.42 115.59 3huf h ASP 178 Ca -0.35 0.09 -0.06 0.00 -0.00 0.00 0.00 57.03 56.71 3huf h ASP 178 Cb 1.25 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.60 3huf h ASP 178 CO 0.56 0.04 -0.29 0.28 -0.00 0.00 0.00 179.24 179.82 3huf h SER 179 N 0.33 0.00 -0.18 2.28 0.02 -1.99 -0.93 113.55 113.08 3huf h SER 179 Ca 0.63 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.36 3huf h SER 179 Cb 1.70 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.25 3huf h SER 179 CO -0.30 0.29 -0.73 0.22 -1.14 0.00 0.00 176.83 175.17 3huf h TYR 180 N 0.00 1.09 -0.40 3.45 3.20 -1.68 -2.78 116.97 119.85 3huf h TYR 180 Ca -0.00 -0.46 -0.14 0.00 3.14 0.00 0.00 58.73 61.27 3huf h TYR 180 Cb 0.61 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3huf h TYR 180 CO 0.00 1.30 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.46 3huf h LEU 181 N 0.57 0.90 -1.40 2.82 3.38 -1.28 -2.23 115.31 118.07 3huf h LEU 181 Ca -0.04 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 3huf h LEU 181 Cb 1.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3huf h LEU 181 CO 0.15 1.12 -0.28 1.56 0.09 0.00 0.00 178.44 181.09 3huf h GLN 182 N 0.73 0.03 -0.11 1.13 4.20 -1.28 -2.70 115.11 117.11 3huf h GLN 182 Ca 0.08 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.60 3huf h GLN 182 Cb 0.84 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 3huf h GLN 182 CO 0.07 0.31 -0.71 -0.92 -0.67 0.00 0.00 178.83 176.91 3huf h TYR 183 N 0.03 0.67 -0.18 2.96 3.20 -1.13 -2.66 116.97 119.85 3huf h TYR 183 Ca 0.00 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3huf h TYR 183 Cb 0.51 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3huf h TYR 183 CO 0.00 1.05 0.00 1.47 -1.64 0.00 0.00 178.16 179.04 3huf n LEU 184 N -3.87 1.52 -0.08 2.82 -0.00 -0.89 -2.72 117.00 113.78 3huf n LEU 184 Ca -0.05 -0.67 -0.12 0.00 -0.00 0.00 0.00 56.01 55.17 3huf n LEU 184 Cb 0.70 -0.12 -0.09 0.00 -0.00 0.00 0.00 43.42 43.91 3huf n LEU 184 CO 0.49 0.33 -0.03 -1.28 -0.00 0.00 0.00 177.39 176.90 3huf h SER 185 N 1.94 0.00 0.47 1.45 0.87 -1.26 -3.20 113.55 113.82 3huf h SER 185 Ca 0.00 -0.54 -0.07 0.00 -1.23 0.00 0.00 61.79 59.95 3huf h SER 185 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3huf h SER 185 CO 0.00 1.01 -0.33 0.71 -0.53 0.00 0.00 176.83 177.69 3huf h THR 186 N -1.00 1.05 -0.24 2.23 1.35 -1.54 -3.11 112.91 111.66 3huf h THR 186 Ca -0.10 -1.20 -0.09 0.00 -0.55 0.00 0.00 66.41 64.48 3huf h THR 186 Cb 0.83 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 68.87 3huf h THR 186 CO -0.06 0.32 -0.08 0.52 -0.25 0.00 0.00 175.52 175.97 3huf n VAL 187 N -3.89 2.35 0.20 6.82 0.31 -1.10 -4.67 118.33 118.36 3huf n VAL 187 Ca -0.02 -2.48 0.08 0.00 -0.01 0.00 0.00 64.34 61.92 3huf n VAL 187 Cb 0.40 -0.28 0.32 0.00 -0.91 0.00 0.00 33.84 33.36 3huf n VAL 187 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3huf h LYS 188 N 1.09 0.00 0.00 5.55 2.10 -1.53 -3.29 116.57 120.49 3huf h LYS 188 Ca 0.11 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.71 3huf h LYS 188 Cb 1.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.77 3huf h LYS 188 CO 0.25 0.26 -0.42 1.05 -2.00 0.00 0.00 179.45 178.59 3huf h GLU 189 N 0.00 0.00 -5.98 0.07 9.09 -1.84 -3.45 114.58 112.47 3huf h GLU 189 Ca -0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 3huf h GLU 189 Cb 0.94 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.98 3huf h GLU 189 CO 0.03 0.16 -0.07 -1.12 0.05 0.00 0.00 179.01 178.06 3huf s SER 190 N -6.11 6.88 0.01 3.06 0.01 -1.24 -5.02 113.70 111.29 3huf s SER 190 Ca 0.04 1.04 0.01 0.00 1.31 0.00 0.00 55.95 58.35 3huf s SER 190 Cb 0.07 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 3huf s SER 190 CO 0.72 0.11 -0.03 -0.69 0.41 0.00 0.00 173.24 173.77 3huf s VAL 191 N -0.13 0.18 0.00 3.43 1.01 -1.26 -4.97 120.40 118.66 3huf s VAL 191 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3huf s VAL 191 Cb -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3huf s VAL 191 CO 0.15 -0.10 0.03 -0.24 0.00 0.00 0.00 175.10 174.94 3huf n SER 196 N 2.62 0.06 -4.41 3.32 2.88 -1.25 -4.86 113.62 111.98 3huf n SER 196 Ca -0.15 -0.68 -0.44 0.00 -1.33 0.00 0.00 58.87 56.26 3huf n SER 196 Cb 0.58 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 64.03 3huf n SER 196 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3huf s LEU 197 N -0.06 5.21 0.39 2.46 1.43 -1.26 -4.97 118.68 121.89 3huf s LEU 197 Ca 0.00 -1.59 0.06 0.00 -1.03 0.00 0.00 54.13 51.57 3huf s LEU 197 Cb 0.00 -2.34 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 3huf s LEU 197 CO 0.00 -1.13 0.02 0.00 0.23 0.00 0.00 176.35 175.47 3huf s MET 198 N 2.78 1.89 -0.23 1.70 0.23 -1.26 -5.07 119.30 119.34 3huf s MET 198 Ca 0.19 -2.08 -0.29 0.00 -1.03 0.00 0.00 55.69 52.49 3huf s MET 198 Cb -0.17 -1.43 -0.13 0.00 -1.53 0.00 0.00 34.83 31.57 3huf s MET 198 CO 0.02 -0.10 0.93 -2.30 -2.03 0.00 0.00 175.02 171.53 3huf n PRO 199 N -0.91 0.00 -2.60 3.16 -0.01 -1.26 -4.87 135.00 128.51 3huf n PRO 199 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.02 3huf n PRO 199 Cb 0.67 -0.96 -0.02 0.00 -0.01 0.00 0.00 33.50 33.18 3huf n PRO 199 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 3huf s ASP 200 N 1.37 6.49 0.26 2.55 3.68 -1.26 -4.90 116.67 124.86 3huf s ASP 200 Ca 0.65 0.18 -0.04 0.00 2.13 0.00 0.00 52.55 55.46 3huf s ASP 200 Cb -0.92 -2.55 0.33 0.00 -1.45 0.00 0.00 42.92 38.34 3huf s ASP 200 CO 0.48 -1.41 1.87 0.00 0.13 0.00 0.00 175.17 176.23 3huf h ALA 201 N 9.46 1.24 -0.82 3.66 0.00 -2.01 -3.06 119.26 127.72 3huf h ALA 201 Ca -0.25 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3huf h ALA 201 Cb 1.06 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3huf h ALA 201 CO 1.17 0.59 0.54 -0.07 0.00 0.00 0.00 179.25 181.48 3huf h LEU 202 N 1.07 0.93 -0.65 0.00 3.38 -1.94 -0.42 115.31 117.66 3huf h LEU 202 Ca 0.26 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3huf h LEU 202 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3huf h LEU 202 CO -0.04 0.66 -0.05 -0.33 0.09 0.00 0.00 178.44 178.78 3huf h GLU 203 N 1.09 1.00 -0.51 1.13 4.39 -1.96 -0.79 114.58 118.94 3huf h GLU 203 Ca 0.31 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3huf h GLU 203 Cb -0.09 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3huf h GLU 203 CO -0.07 1.01 0.26 0.00 -1.16 0.00 0.00 179.01 179.05 3huf h PHE 205 N 0.68 0.63 -0.70 0.00 3.57 -0.88 -2.13 116.94 118.10 3huf h PHE 205 Ca 0.18 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3huf h PHE 205 Cb 0.09 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3huf h PHE 205 CO -0.01 0.34 0.16 0.87 -2.23 0.00 0.00 178.31 177.43 3huf h LYS 206 N 0.66 1.13 -0.49 1.11 1.57 -0.96 -2.18 116.57 117.40 3huf h LYS 206 Ca 0.24 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3huf h LYS 206 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3huf h LYS 206 CO -0.13 1.00 0.21 -0.91 -0.57 0.00 0.00 179.45 179.06 3huf h ASN 207 N 1.06 0.62 0.09 0.86 2.35 -1.11 -2.22 115.58 117.22 3huf h ASN 207 Ca 0.22 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3huf h ASN 207 Cb 0.39 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3huf h ASN 207 CO 0.00 0.54 -0.04 0.40 -1.65 0.00 0.00 177.43 176.69 3huf h ILE 208 N 0.68 0.99 0.17 2.81 2.04 -1.12 -3.21 117.51 119.88 3huf h ILE 208 Ca 0.17 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.62 3huf h ILE 208 Cb 0.11 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3huf h ILE 208 CO -0.02 0.29 -0.39 0.40 0.00 0.00 0.00 178.15 178.43 3huf h ILE 209 N -0.90 0.21 -0.78 -0.67 2.04 -1.46 -1.10 117.51 114.85 3huf h ILE 209 Ca -0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 3huf h ILE 209 Cb 0.57 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3huf h ILE 209 CO 0.02 0.00 0.53 0.50 0.00 0.00 0.00 178.15 179.20 3huf h LYS 210 N -0.65 0.23 0.00 2.37 3.64 -1.54 -2.52 116.57 118.09 3huf h LYS 210 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3huf h LYS 210 Cb 0.66 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3huf h LYS 210 CO -0.20 0.15 -1.24 0.09 -2.27 0.00 0.00 179.45 175.99 3huf n ASN 211 N -4.42 0.99 -4.65 4.20 3.02 -1.11 -4.96 115.26 108.32 3huf n ASN 211 Ca 0.16 -0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 53.88 3huf n ASN 211 Cb 0.69 1.37 -0.08 0.00 -0.61 0.00 0.00 39.78 41.14 3huf n ASN 211 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3huf s ASN 212 N -3.18 6.35 0.00 6.41 3.84 -0.43 -4.97 114.94 122.96 3huf s ASN 212 Ca 0.00 0.41 0.18 0.00 0.21 0.00 0.00 52.86 53.66 3huf s ASN 212 Cb 0.11 -2.21 0.88 0.00 -0.55 0.00 0.00 41.25 39.48 3huf s ASN 212 CO 0.67 -0.09 1.55 -0.90 -2.79 0.00 0.00 177.10 175.54 3huf n ASP 213 N 4.69 0.00 -0.37 -4.21 5.75 -1.26 -2.44 116.55 118.71 3huf n ASP 213 Ca -0.09 0.14 0.14 0.00 -0.01 0.00 0.00 54.79 54.97 3huf n ASP 213 Cb 0.51 -0.34 0.59 0.00 -1.03 0.00 0.00 41.12 40.85 3huf n ASP 213 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3huf n GLN 214 N -1.34 1.45 -4.91 0.11 1.13 -1.26 -4.85 117.38 107.72 3huf n GLN 214 Ca 0.08 -0.74 -0.31 0.00 -1.94 0.00 0.00 57.00 54.09 3huf n GLN 214 Cb 0.16 -1.48 -0.14 0.00 0.11 0.00 0.00 30.24 28.88 3huf n GLN 214 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3huf s PHE 215 N -2.06 2.40 0.49 1.08 0.40 -1.02 -4.97 117.98 114.29 3huf s PHE 215 Ca 0.38 -0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 56.30 3huf s PHE 215 Cb 0.21 -1.44 0.11 0.00 0.51 0.00 0.00 43.02 42.41 3huf s PHE 215 CO 0.36 0.14 0.66 -0.35 0.70 0.00 0.00 175.22 176.73 3huf n PRO 216 N 1.84 -0.27 -0.33 0.24 -0.04 -1.26 -4.94 135.00 130.24 3huf n PRO 216 Ca -0.17 -1.36 0.04 0.00 -0.04 0.00 0.00 63.50 61.97 3huf n PRO 216 Cb 0.52 -0.58 0.21 0.00 -0.04 0.00 0.00 33.50 33.61 3huf n PRO 216 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3huf h SER 217 N -0.67 0.96 -5.05 3.54 4.64 -1.98 -3.46 113.55 111.55 3huf h SER 217 Ca -0.22 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3huf h SER 217 Cb 0.69 -0.20 -0.16 0.00 -0.31 0.00 0.00 62.40 62.42 3huf h SER 217 CO 0.19 0.61 -0.12 -0.94 -0.87 0.00 0.00 176.83 175.70 3huf s SER 218 N -5.95 -0.25 0.44 4.97 1.04 -1.26 -5.00 113.70 107.69 3huf s SER 218 Ca -0.12 -0.11 0.21 0.00 0.48 0.00 0.00 55.95 56.42 3huf s SER 218 Cb 0.20 0.43 1.18 0.00 0.10 0.00 0.00 66.02 67.93 3huf s SER 218 CO 0.81 -0.70 1.84 -0.65 0.98 0.00 0.00 173.24 175.52 3huf h PRO 219 N 2.89 0.30 0.00 4.02 0.11 -1.88 -1.80 132.00 135.65 3huf h PRO 219 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3huf h PRO 219 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3huf h PRO 219 CO 0.45 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 3huf n GLU 220 N -4.48 0.11 -0.06 1.05 4.71 -1.26 -1.16 120.64 119.55 3huf n GLU 220 Ca 0.21 0.34 -0.15 0.00 -0.01 0.00 0.00 57.16 57.55 3huf n GLU 220 Cb 0.81 -1.71 -0.06 0.00 -1.01 0.00 0.00 31.44 29.47 3huf n GLU 220 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3huf h ASP 221 N 0.00 0.79 0.31 1.62 3.32 -1.73 -3.35 116.42 117.38 3huf h ASP 221 Ca 0.00 -0.55 -0.33 0.00 0.02 0.00 0.00 57.03 56.17 3huf h ASP 221 Cb 0.32 -0.23 0.03 0.00 0.22 0.00 0.00 39.33 39.68 3huf h ASP 221 CO 0.00 1.20 -1.47 0.00 -1.72 0.00 0.00 179.24 177.25 3huf n ILE 223 N -3.69 0.51 -1.07 0.00 5.41 -0.31 -1.97 119.36 118.25 3huf n ILE 223 Ca -0.16 -0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.48 3huf n ILE 223 Cb 1.10 -2.14 -0.01 0.00 -0.71 0.00 0.00 39.64 37.87 3huf n ILE 223 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3huf n ASN 224 N 6.27 -4.34 0.30 4.38 3.02 -0.01 -4.91 115.26 119.98 3huf n ASN 224 Ca 0.19 0.06 0.19 0.00 -0.03 0.00 0.00 54.58 54.99 3huf n ASN 224 Cb 0.37 -2.04 0.94 0.00 -0.61 0.00 0.00 39.78 38.45 3huf n ASN 224 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3huf h SER 225 N 0.00 0.00 -0.36 6.41 4.64 -1.09 -2.71 113.55 120.44 3huf h SER 225 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3huf h SER 225 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3huf h SER 225 CO 0.07 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 3huf n LEU 226 N -3.18 2.97 -4.66 5.97 4.77 0.27 -4.67 117.00 118.48 3huf n LEU 226 Ca -0.01 -1.92 -0.50 0.00 -0.03 0.00 0.00 56.01 53.54 3huf n LEU 226 Cb 0.19 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3huf n LEU 226 CO 0.24 0.73 1.21 1.21 -1.33 0.00 0.00 177.39 179.46 3huf n GLU 227 N 0.65 1.71 0.00 3.23 2.13 -1.02 -1.13 120.64 126.21 3huf n GLU 227 Ca 0.13 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3huf n GLU 227 Cb 0.44 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.79 3huf n GLU 227 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3huf n GLY 228 N 3.55 0.82 3.89 8.31 0.00 -1.26 -5.06 105.19 115.45 3huf n GLY 228 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3huf n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3huf s PHE 229 N -1.28 3.46 0.10 1.61 0.40 -0.28 -5.02 117.98 116.96 3huf s PHE 229 Ca 0.00 0.63 0.09 0.00 -0.60 0.00 0.00 56.93 57.05 3huf s PHE 229 Cb 0.00 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 3huf s PHE 229 CO 0.00 0.38 -0.22 -1.54 0.70 0.00 0.00 175.22 174.53 3huf s SER 230 N -2.49 2.71 0.23 1.36 1.04 -1.26 -2.09 113.70 113.19 3huf s SER 230 Ca 0.43 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3huf s SER 230 Cb -0.12 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 65.78 3huf s SER 230 CO 0.24 0.11 0.09 0.00 0.98 0.00 0.00 173.24 174.66 3huf s ALA 232 N -3.84 1.48 0.02 0.00 0.00 -0.73 -0.92 121.76 117.77 3huf s ALA 232 Ca 0.35 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3huf s ALA 232 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3huf s ALA 232 CO 0.11 0.33 -0.05 1.41 0.00 0.00 0.00 175.76 177.57 3huf s MET 233 N -0.87 0.38 -0.12 0.00 0.00 -0.58 -0.03 119.30 118.07 3huf s MET 233 Ca 0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 55.69 54.97 3huf s MET 233 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 34.83 34.55 3huf s MET 233 CO 0.01 0.03 1.06 -1.17 0.00 0.00 0.00 175.02 174.95 3huf s LEU 234 N -0.99 4.22 -1.54 4.11 2.96 -1.26 -2.14 118.68 124.04 3huf s LEU 234 Ca -0.07 1.56 -0.08 0.00 -0.22 0.00 0.00 54.13 55.32 3huf s LEU 234 Cb -0.07 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.14 3huf s LEU 234 CO -0.00 -0.53 0.55 -3.20 -1.32 0.00 0.00 176.35 171.85 3huf n ASN 235 N 5.38 -1.53 -4.65 3.68 5.15 0.01 -4.77 115.26 118.52 3huf n ASN 235 Ca 0.10 -1.02 -0.46 0.00 -0.60 0.00 0.00 54.58 52.59 3huf n ASN 235 Cb 0.48 -2.85 -0.04 0.00 -0.53 0.00 0.00 39.78 36.84 3huf n ASN 235 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3huf n THR 236 N -4.42 0.52 -2.17 -0.44 5.66 -1.26 -4.99 114.28 107.19 3huf n THR 236 Ca -0.15 -0.13 -0.30 0.00 -3.05 0.00 0.00 64.05 60.43 3huf n THR 236 Cb 0.60 -1.35 0.01 0.00 -1.55 0.00 0.00 70.33 68.04 3huf n THR 236 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3huf s SER 237 N 0.49 6.22 0.41 1.09 1.04 -1.26 -4.91 113.70 116.77 3huf s SER 237 Ca 0.74 1.22 0.08 0.00 0.48 0.00 0.00 55.95 58.46 3huf s SER 237 Cb -0.72 -2.36 0.87 0.00 0.10 0.00 0.00 66.02 63.91 3huf s SER 237 CO 0.46 -0.77 2.05 0.77 0.98 0.00 0.00 173.24 176.72 3huf h SER 238 N -0.12 0.42 0.13 7.02 4.64 -1.98 0.08 113.55 123.74 3huf h SER 238 Ca -0.45 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3huf h SER 238 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3huf h SER 238 CO 0.62 0.33 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.51 3huf h GLU 239 N 0.48 -0.17 -0.78 4.77 3.07 -1.99 0.68 114.58 120.65 3huf h GLU 239 Ca 0.13 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3huf h GLU 239 Cb -0.00 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 3huf h GLU 239 CO -0.02 0.06 0.51 0.77 -1.40 0.00 0.00 179.01 178.93 3huf h SER 240 N -0.40 0.88 -0.51 1.42 0.02 -1.90 0.60 113.55 113.66 3huf h SER 240 Ca -0.02 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3huf h SER 240 Cb 0.32 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3huf h SER 240 CO 0.03 0.63 0.26 -0.74 -1.14 0.00 0.00 176.83 175.87 3huf h HIS 241 N 1.04 0.73 -0.34 3.45 -0.00 -0.85 -0.52 115.15 118.66 3huf h HIS 241 Ca 0.29 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.61 3huf h HIS 241 Cb -0.11 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.06 3huf h HIS 241 CO -0.02 0.56 0.14 1.25 -0.00 0.00 0.00 177.93 179.86 3huf h HIS 242 N 0.68 0.51 -0.27 5.26 6.17 -0.60 0.60 115.15 127.50 3huf h HIS 242 Ca 0.18 -0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.27 3huf h HIS 242 Cb 0.10 -0.15 -0.05 0.00 2.52 0.00 0.00 27.41 29.82 3huf h HIS 242 CO -0.01 0.48 -0.06 1.25 0.71 0.00 0.00 177.93 180.31 3huf h LEU 243 N 0.40 -0.23 -0.86 0.26 5.85 -0.64 0.44 115.31 120.53 3huf h LEU 243 Ca 0.11 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 3huf h LEU 243 Cb 0.18 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3huf h LEU 243 CO -0.01 -0.08 0.03 -0.07 -0.34 0.00 0.00 178.44 177.98 3huf h LEU 244 N 0.01 0.85 -0.68 2.25 3.38 -0.99 -2.18 115.31 117.95 3huf h LEU 244 Ca 0.13 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3huf h LEU 244 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3huf h LEU 244 CO -0.27 0.89 0.05 1.05 0.09 0.00 0.00 178.44 180.25 3huf h GLU 245 N 0.83 1.07 -0.29 1.13 4.11 -0.57 -2.18 114.58 118.68 3huf h GLU 245 Ca 0.16 -0.31 0.04 0.00 0.07 0.00 0.00 59.36 59.32 3huf h GLU 245 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3huf h GLU 245 CO 0.02 1.01 0.20 -0.07 0.07 0.00 0.00 179.01 180.24 3huf h LEU 246 N 0.99 0.20 -0.30 3.06 3.38 -0.57 0.13 115.31 122.20 3huf h LEU 246 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3huf h LEU 246 Cb 0.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3huf h LEU 246 CO 0.02 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.86 3huf n LEU 247 N -4.49 0.54 0.00 1.67 4.77 -0.85 -0.83 117.00 117.81 3huf n LEU 247 Ca 0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3huf n LEU 247 Cb 0.20 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3huf n LEU 247 CO 0.35 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3huf n GLY 248 N 0.59 1.00 3.83 -0.72 0.00 0.47 -0.56 105.19 109.79 3huf n GLY 248 Ca 0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3huf n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huf s LEU 249 N 0.00 3.73 -0.20 0.99 1.43 -0.84 -3.59 118.68 120.21 3huf s LEU 249 Ca 0.00 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 3huf s LEU 249 Cb 0.00 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 3huf s LEU 249 CO 0.00 -0.59 0.16 0.00 0.23 0.00 0.00 176.35 176.15 3huf s ARG 250 N -3.71 4.18 -0.14 1.70 1.04 -0.89 -4.46 118.95 116.68 3huf s ARG 250 Ca 0.61 -0.18 -0.01 0.00 -1.04 0.00 0.00 55.73 55.11 3huf s ARG 250 Cb -0.11 -3.44 -0.02 0.00 -2.04 0.00 0.00 34.95 29.35 3huf s ARG 250 CO 0.25 0.26 -0.12 0.42 -0.04 0.00 0.00 175.30 176.07 3huf s ILE 251 N 0.47 3.15 -0.18 4.99 1.09 -1.26 -0.42 121.20 129.04 3huf s ILE 251 Ca 0.09 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 58.98 3huf s ILE 251 Cb -0.12 -2.34 -0.02 0.00 -1.06 0.00 0.00 42.46 38.93 3huf s ILE 251 CO -0.00 0.52 -0.04 -0.44 -0.10 0.00 0.00 174.94 174.87 3huf s SER 252 N 0.42 4.60 -0.24 3.58 0.01 -0.10 -4.98 113.70 116.99 3huf s SER 252 Ca -0.09 -0.24 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 3huf s SER 252 Cb -0.16 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 3huf s SER 252 CO 0.05 0.09 0.15 -0.89 0.41 0.00 0.00 173.24 173.04 3huf s THR 253 N 0.85 5.22 0.18 1.44 2.01 -1.26 -1.53 115.64 122.55 3huf s THR 253 Ca -0.01 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.21 3huf s THR 253 Cb -0.15 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 3huf s THR 253 CO 0.02 0.34 -0.08 0.72 -0.69 0.00 0.00 174.62 174.92 3huf s PHE 254 N 1.17 2.65 -0.03 4.92 -0.12 -0.91 -4.97 117.98 120.69 3huf s PHE 254 Ca 0.07 -0.21 0.15 0.00 -0.05 0.00 0.00 56.93 56.89 3huf s PHE 254 Cb -0.14 -1.29 -0.24 0.00 -0.63 0.00 0.00 43.02 40.72 3huf s PHE 254 CO 0.05 0.52 0.32 -0.12 -0.05 0.00 0.00 175.22 175.94 3huf n MET 255 N -0.02 0.59 -3.76 1.99 1.56 -1.26 -0.81 117.12 115.40 3huf n MET 255 Ca -0.10 -0.13 -0.13 0.00 -0.27 0.00 0.00 57.70 57.07 3huf n MET 255 Cb 0.56 -1.37 -0.10 0.00 2.15 0.00 0.00 33.22 34.45 3huf n MET 255 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3huf s SER 256 N -3.90 -0.32 0.62 6.12 0.15 -1.26 -4.72 113.70 110.39 3huf s SER 256 Ca -0.06 0.57 0.30 0.00 0.70 0.00 0.00 55.95 57.45 3huf s SER 256 Cb 0.09 0.62 1.59 0.00 -1.71 0.00 0.00 66.02 66.61 3huf s SER 256 CO 0.65 -0.17 1.96 0.17 1.20 0.00 0.00 173.24 177.04 3huf h LEU 257 N 5.31 0.00 -0.96 3.45 -0.00 -2.00 0.14 115.31 121.25 3huf h LEU 257 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 3huf h LEU 257 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 3huf h LEU 257 CO 0.31 0.00 -0.08 1.23 -0.00 0.00 0.00 178.44 179.91 3huf h GLY 258 N 0.00 0.00 0.50 0.17 0.00 -2.03 -3.21 103.07 98.51 3huf h GLY 258 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3huf h GLY 258 CO -0.00 0.00 -0.04 1.22 0.00 0.00 0.00 176.54 177.71 3huf n ASP 259 N -3.17 0.65 -4.49 0.19 9.92 0.48 -4.49 116.55 115.63 3huf n ASP 259 Ca 0.01 -1.00 -0.43 0.00 -0.53 0.00 0.00 54.79 52.85 3huf n ASP 259 Cb 0.41 -0.02 -0.01 0.00 -0.64 0.00 0.00 41.12 40.85 3huf n ASP 259 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3huf s ILE 260 N -2.18 4.62 0.00 0.53 1.01 -1.21 -4.77 121.20 119.19 3huf s ILE 260 Ca 0.38 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 59.10 3huf s ILE 260 Cb 0.21 -4.95 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3huf s ILE 260 CO 0.40 -1.71 0.00 -0.90 0.00 0.00 0.00 174.94 172.73 3huf n ASP 261 N 6.87 0.00 -0.04 3.58 5.68 -1.26 -4.90 116.55 126.48 3huf n ASP 261 Ca 0.35 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.61 3huf n ASP 261 Cb 0.46 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.68 3huf n ASP 261 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3huf h LYS 262 N 0.00 0.62 0.00 0.11 5.09 -1.99 -2.93 116.57 117.47 3huf h LYS 262 Ca 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 60.65 60.54 3huf h LYS 262 Cb 0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.25 3huf h LYS 262 CO 0.00 0.66 -0.18 1.05 -2.09 0.00 0.00 179.45 178.89 3huf h GLU 263 N 0.58 0.00 -0.96 0.07 -0.00 -1.95 -1.22 114.58 111.11 3huf h GLU 263 Ca 0.12 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.96 3huf h GLU 263 Cb 0.42 0.00 -0.29 0.00 -0.00 0.00 0.00 28.75 28.88 3huf h GLU 263 CO 0.02 0.18 0.63 1.28 -0.00 0.00 0.00 179.01 181.12 3huf n LEU 264 N -3.23 6.69 0.00 3.06 4.77 -1.11 -4.25 117.00 122.93 3huf n LEU 264 Ca 0.01 -3.72 0.00 0.00 -0.03 0.00 0.00 56.01 52.27 3huf n LEU 264 Cb 0.49 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3huf n LEU 264 CO 0.34 1.13 -0.05 -0.38 -1.33 0.00 0.00 177.39 177.10 3huf n ILE 265 N -1.11 0.00 0.12 -0.08 2.08 -1.11 -4.67 119.36 114.58 3huf n ILE 265 Ca 0.59 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.88 3huf n ILE 265 Cb 1.50 -0.32 0.08 0.00 -0.75 0.00 0.00 39.64 40.15 3huf n ILE 265 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3huf h SER 266 N 0.00 0.00 -0.69 4.38 4.64 -1.43 -2.82 113.55 117.64 3huf h SER 266 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3huf h SER 266 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3huf h SER 266 CO 0.00 0.69 0.00 0.29 -0.87 0.00 0.00 176.83 176.94 3huf n LYS 267 N -3.51 3.13 -4.76 4.77 4.01 -1.26 -4.92 118.16 115.61 3huf n LYS 267 Ca -0.00 -2.70 -0.27 0.00 -0.51 0.00 0.00 58.31 54.83 3huf n LYS 267 Cb 0.73 -1.71 -0.17 0.00 -0.51 0.00 0.00 35.03 33.37 3huf n LYS 267 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3huf s THR 268 N -1.39 1.39 0.06 -0.18 2.01 -1.06 -4.81 115.64 111.66 3huf s THR 268 Ca 0.49 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 3huf s THR 268 Cb 0.28 -1.23 -0.29 0.00 0.01 0.00 0.00 72.50 71.27 3huf s THR 268 CO 0.29 0.41 1.07 0.44 -0.69 0.00 0.00 174.62 176.14 3huf h ASP 269 N 6.84 0.44 -5.04 3.53 3.32 -1.20 -3.45 116.42 120.85 3huf h ASP 269 Ca -0.28 -0.50 -0.04 0.00 0.02 0.00 0.00 57.03 56.23 3huf h ASP 269 Cb 1.20 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.48 3huf h ASP 269 CO 0.47 1.40 0.06 0.72 -1.72 0.00 0.00 179.24 180.17 3huf s PHE 270 N -2.64 -0.37 0.08 4.55 -0.12 -1.21 -4.84 117.98 113.42 3huf s PHE 270 Ca -0.05 0.13 -0.23 0.00 -0.05 0.00 0.00 56.93 56.73 3huf s PHE 270 Cb 0.07 0.40 -0.06 0.00 -0.63 0.00 0.00 43.02 42.79 3huf s PHE 270 CO 0.88 -0.76 0.71 0.08 -0.05 0.00 0.00 175.22 176.08 3huf s VAL 271 N -3.66 4.66 -0.26 -2.49 1.01 0.47 -1.78 120.40 118.35 3huf s VAL 271 Ca 0.01 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 3huf s VAL 271 Cb 0.00 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3huf s VAL 271 CO -0.12 0.45 0.24 -0.69 0.00 0.00 0.00 175.10 174.98 3huf s VAL 272 N -0.57 5.29 0.29 2.92 1.01 0.96 -0.77 120.40 129.53 3huf s VAL 272 Ca 0.35 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 3huf s VAL 272 Cb -0.21 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3huf s VAL 272 CO 0.22 0.26 1.37 -0.76 0.00 0.00 0.00 175.10 176.20 3huf s LEU 273 N 1.56 4.40 -0.34 3.92 1.02 -0.68 -4.34 118.68 124.23 3huf s LEU 273 Ca 0.10 2.67 -0.16 0.00 0.02 0.00 0.00 54.13 56.76 3huf s LEU 273 Cb -0.15 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.41 3huf s LEU 273 CO 0.08 -0.62 0.41 0.21 0.02 0.00 0.00 176.35 176.45 3huf s ASN 274 N -0.04 6.23 -0.63 2.29 3.84 -1.26 -4.61 114.94 120.76 3huf s ASN 274 Ca 0.54 -0.12 -0.13 0.00 0.21 0.00 0.00 52.86 53.37 3huf s ASN 274 Cb -0.41 -2.22 0.16 0.00 -0.55 0.00 0.00 41.25 38.23 3huf s ASN 274 CO 0.48 -0.36 0.55 0.20 -2.79 0.00 0.00 177.10 175.18 3huf s ASN 275 N 1.73 6.21 0.00 -4.21 0.01 -1.26 -5.07 114.94 112.34 3huf s ASN 275 Ca 0.14 -2.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.09 3huf s ASN 275 Cb -0.16 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.36 3huf s ASN 275 CO 0.12 -0.69 0.00 -1.54 -1.51 0.00 0.00 177.10 173.48 3huf n SER 284 N 4.62 0.00 0.00 -1.22 3.41 -1.26 -5.24 113.62 113.93 3huf n SER 284 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3huf n SER 284 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3huf n SER 284 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3huf n PHE 285 N 0.00 0.00 -1.89 7.33 -0.00 -1.26 -5.13 117.46 116.51 3huf n PHE 285 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.12 3huf n PHE 285 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.51 3huf n PHE 285 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3huf s PRO 286 N 0.00 3.10 0.44 -7.13 0.02 -1.26 -5.02 135.00 125.15 3huf s PRO 286 Ca 0.00 1.23 -0.22 0.00 0.02 0.00 0.00 61.00 62.03 3huf s PRO 286 Cb 0.00 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 3huf s PRO 286 CO 0.00 -0.99 1.02 -1.83 -0.33 0.00 0.00 177.00 174.86 3huf s GLU 287 N -4.22 4.03 0.00 5.54 1.03 -1.26 -3.41 118.70 120.42 3huf s GLU 287 Ca 0.64 1.34 0.00 0.00 0.03 0.00 0.00 54.97 56.98 3huf s GLU 287 Cb -0.17 -2.27 0.00 0.00 -0.80 0.00 0.00 34.13 30.89 3huf s GLU 287 CO 0.41 -0.23 0.00 0.41 -1.33 0.00 0.00 175.26 174.52 3huf n GLY 288 N -0.14 0.54 3.37 -3.83 0.00 -1.26 -5.04 105.19 98.83 3huf n GLY 288 Ca 0.07 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 3huf n GLY 288 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3huf s ILE 289 N -2.00 3.76 -0.26 -0.61 1.01 -1.22 -5.08 121.20 116.80 3huf s ILE 289 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.09 3huf s ILE 289 Cb 0.00 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 3huf s ILE 289 CO 0.00 0.39 0.62 0.12 0.00 0.00 0.00 174.94 176.07 3huf s PHE 290 N 1.54 3.27 0.06 3.97 5.36 -1.26 -5.01 117.98 125.90 3huf s PHE 290 Ca 0.06 0.79 0.07 0.00 -0.96 0.00 0.00 56.93 56.89 3huf s PHE 290 Cb -0.15 -2.85 -0.03 0.00 -0.34 0.00 0.00 43.02 39.65 3huf s PHE 290 CO -0.00 -0.34 -0.18 0.00 -1.46 0.00 0.00 175.22 173.24 3huf s LEU 292 N -1.59 2.26 0.44 0.00 1.43 0.05 -4.92 118.68 116.34 3huf s LEU 292 Ca 0.15 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3huf s LEU 292 Cb -0.11 -0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.09 3huf s LEU 292 CO 0.06 -0.27 0.67 0.42 0.23 0.00 0.00 176.35 177.46 3huf s THR 293 N -1.54 4.32 0.21 5.49 -4.23 -1.26 -1.68 115.64 116.96 3huf s THR 293 Ca -0.12 -0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 59.91 3huf s THR 293 Cb -0.09 -3.60 0.16 0.00 1.34 0.00 0.00 72.50 70.30 3huf s THR 293 CO -0.01 -0.44 1.83 0.40 -0.54 0.00 0.00 174.62 175.85 3huf h ILE 294 N 0.43 1.01 -0.50 2.99 2.04 -1.97 -1.68 117.51 119.83 3huf h ILE 294 Ca -0.47 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.20 3huf h ILE 294 Cb 1.24 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3huf h ILE 294 CO 0.59 0.14 0.15 -0.33 0.00 0.00 0.00 178.15 178.70 3huf h GLU 295 N 0.78 0.30 -0.35 2.37 3.07 -1.94 0.15 114.58 118.95 3huf h GLU 295 Ca 0.31 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 3huf h GLU 295 Cb 0.14 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3huf h GLU 295 CO -0.16 0.20 0.18 1.96 -1.40 0.00 0.00 179.01 179.78 3huf h GLN 296 N 0.31 0.50 -0.17 2.33 4.20 -1.82 -1.44 115.11 119.02 3huf h GLN 296 Ca 0.25 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3huf h GLN 296 Cb 0.29 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3huf h GLN 296 CO -0.28 0.45 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.20 3huf h LEU 297 N 0.44 -0.19 -0.44 1.46 3.38 -0.91 -1.23 115.31 117.81 3huf h LEU 297 Ca 0.12 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3huf h LEU 297 Cb 0.10 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3huf h LEU 297 CO -0.02 -0.07 0.13 -0.25 0.09 0.00 0.00 178.44 178.32 3huf h TRP 298 N -0.02 0.22 -0.49 1.13 2.91 -0.56 -1.01 115.95 118.13 3huf h TRP 298 Ca 0.08 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.17 3huf h TRP 298 Cb 0.15 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 3huf h TRP 298 CO -0.20 0.06 0.23 0.87 -1.03 0.00 0.00 178.44 178.37 3huf h LYS 299 N 0.28 0.45 -0.67 2.65 6.56 -0.98 0.18 116.57 125.03 3huf h LYS 299 Ca 0.21 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.73 3huf h LYS 299 Cb 0.23 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.76 3huf h LYS 299 CO -0.24 0.30 0.25 0.82 -2.06 0.00 0.00 179.45 178.52 3huf h ILE 300 N 0.46 1.24 -0.13 1.86 2.04 -0.78 -1.10 117.51 121.11 3huf h ILE 300 Ca 0.22 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3huf h ILE 300 Cb 0.14 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3huf h ILE 300 CO -0.16 0.31 0.05 0.40 0.00 0.00 0.00 178.15 178.74 3huf h ILE 301 N 0.96 1.16 -0.66 -0.67 2.04 -0.80 -1.04 117.51 118.49 3huf h ILE 301 Ca 0.22 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3huf h ILE 301 Cb 0.23 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3huf h ILE 301 CO -0.02 0.15 0.34 0.40 0.00 0.00 0.00 178.15 179.02 3huf h ILE 302 N 0.04 1.22 0.13 -0.67 1.08 -0.92 -3.29 117.51 115.08 3huf h ILE 302 Ca 0.04 -0.59 -0.28 0.00 -0.39 0.00 0.00 64.86 63.65 3huf h ILE 302 Cb 0.19 0.39 0.01 0.00 -3.07 0.00 0.00 36.82 34.34 3huf h ILE 302 CO -0.00 0.25 -1.22 -0.33 -0.69 0.00 0.00 178.15 176.15 3huf h GLU 303 N 0.91 0.37 -6.21 2.37 5.08 -1.09 -3.45 114.58 112.57 3huf h GLU 303 Ca 0.23 -0.57 -0.58 0.00 -1.00 0.00 0.00 59.36 57.44 3huf h GLU 303 Cb 0.09 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3huf h GLU 303 CO -0.03 1.25 -0.19 1.03 -1.00 0.00 0.00 179.01 180.07 3huf s ARG 304 N -2.79 3.82 0.00 2.33 3.00 -0.41 -5.05 118.95 119.85 3huf s ARG 304 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 55.73 55.93 3huf s ARG 304 Cb 0.07 -2.94 0.00 0.00 0.00 0.00 0.00 34.95 32.08 3huf s ARG 304 CO 0.90 0.51 0.08 -1.71 0.00 0.00 0.00 175.30 175.08 3huf n ASN 305 N 0.73 0.00 -4.77 0.23 2.85 -1.26 -4.77 115.26 108.27 3huf n ASN 305 Ca -0.06 0.08 -0.29 0.00 -0.11 0.00 0.00 54.58 54.20 3huf n ASN 305 Cb 0.52 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.68 3huf n ASN 305 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3huf s SER 306 N -1.20 3.45 0.40 1.20 1.04 -1.26 -4.85 113.70 112.48 3huf s SER 306 Ca 0.00 1.04 0.10 0.00 0.48 0.00 0.00 55.95 57.57 3huf s SER 306 Cb 0.00 -1.65 0.82 0.00 0.10 0.00 0.00 66.02 65.29 3huf s SER 306 CO 0.00 -2.59 1.94 0.03 0.98 0.00 0.00 173.24 173.59 3huf h ARG 307 N -1.53 0.22 -0.49 4.02 3.08 -1.93 -2.19 114.38 115.56 3huf h ARG 307 Ca -0.51 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.37 3huf h ARG 307 Cb 1.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3huf h ARG 307 CO 0.61 0.35 -0.20 1.49 -1.07 0.00 0.00 179.97 181.15 3huf h GLU 308 N 0.21 1.00 0.03 0.04 4.81 -1.92 -0.51 114.58 118.24 3huf h GLU 308 Ca 0.04 -0.41 -0.24 0.00 -0.13 0.00 0.00 59.36 58.62 3huf h GLU 308 Cb 0.34 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3huf h GLU 308 CO 0.02 1.09 -1.01 -0.07 -0.73 0.00 0.00 179.01 178.31 3huf h LEU 309 N 0.86 0.50 -0.04 1.64 3.38 -1.89 -1.68 115.31 118.09 3huf h LEU 309 Ca 0.12 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3huf h LEU 309 Cb 0.77 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3huf h LEU 309 CO 0.06 1.25 -0.13 0.40 0.09 0.00 0.00 178.44 180.12 3huf h ILE 310 N 0.19 0.68 -0.54 1.22 2.04 -1.36 -1.55 117.51 118.19 3huf h ILE 310 Ca -0.09 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3huf h ILE 310 Cb 1.67 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3huf h ILE 310 CO 0.17 0.00 -0.11 0.77 0.00 0.00 0.00 178.15 178.99 3huf h SER 311 N -0.19 1.02 -0.58 1.72 4.64 -1.07 -1.48 113.55 117.61 3huf h SER 311 Ca 0.06 -0.33 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3huf h SER 311 Cb 0.27 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 3huf h SER 311 CO -0.15 1.13 0.28 0.11 -0.87 0.00 0.00 176.83 177.33 3huf h LYS 312 N 0.90 0.52 -0.44 4.77 1.57 -1.27 -0.19 116.57 122.44 3huf h LYS 312 Ca 0.14 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3huf h LYS 312 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3huf h LYS 312 CO 0.05 0.34 0.14 1.49 -0.57 0.00 0.00 179.45 180.90 3huf h GLU 313 N 0.53 0.68 -0.44 3.15 4.57 -0.95 0.89 114.58 123.01 3huf h GLU 313 Ca 0.26 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3huf h GLU 313 Cb 0.20 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3huf h GLU 313 CO -0.20 0.66 0.27 0.82 -1.18 0.00 0.00 179.01 179.38 3huf h ILE 314 N 0.56 1.08 -0.69 2.32 2.04 -1.04 -1.40 117.51 120.39 3huf h ILE 314 Ca 0.14 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3huf h ILE 314 Cb 0.26 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3huf h ILE 314 CO -0.00 0.10 0.22 -0.33 0.00 0.00 0.00 178.15 178.14 3huf h GLU 315 N 0.55 1.05 -0.06 2.37 4.39 -0.93 -0.65 114.58 121.30 3huf h GLU 315 Ca 0.17 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3huf h GLU 315 Cb -0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 3huf h GLU 315 CO -0.06 0.89 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.53 3huf h ARG 316 N 1.02 -0.08 -0.91 2.33 2.43 -0.50 -2.06 114.38 116.62 3huf h ARG 316 Ca 0.23 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3huf h ARG 316 Cb 0.27 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3huf h ARG 316 CO -0.01 -0.05 0.55 -0.07 -1.51 0.00 0.00 179.97 178.87 3huf h LEU 317 N -0.08 1.10 -0.74 3.80 3.38 -0.92 -1.59 115.31 120.26 3huf h LEU 317 Ca 0.05 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3huf h LEU 317 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3huf h LEU 317 CO -0.11 0.84 0.48 0.50 0.09 0.00 0.00 178.44 180.24 3huf h LYS 318 N 1.26 0.94 0.22 1.13 3.64 -0.97 -0.83 116.57 121.95 3huf h LYS 318 Ca 0.33 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3huf h LYS 318 Cb -0.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3huf h LYS 318 CO -0.06 0.62 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.71 3huf h TYR 319 N 0.97 -0.28 -0.56 1.91 3.20 -0.97 -0.95 116.97 120.28 3huf h TYR 319 Ca 0.28 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.24 3huf h TYR 319 Cb -0.06 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3huf h TYR 319 CO -0.03 0.03 0.38 0.00 -1.64 0.00 0.00 178.16 176.91 3huf h ALA 320 N 0.08 2.06 0.05 1.82 0.00 -1.26 0.93 119.26 122.95 3huf h ALA 320 Ca -0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3huf h ALA 320 Cb 0.44 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.18 3huf h ALA 320 CO 0.05 -0.19 -0.68 1.15 0.00 0.00 0.00 179.25 179.59 3huf h THR 321 N 0.35 1.46 0.00 0.00 2.02 -1.04 -3.42 112.91 112.28 3huf h THR 321 Ca 0.26 -2.25 -0.29 0.00 0.77 0.00 0.00 66.41 64.91 3huf h THR 321 Cb 0.56 2.82 -0.05 0.00 -1.74 0.00 0.00 68.15 69.73 3huf h THR 321 CO -0.07 0.65 -2.21 0.18 0.37 0.00 0.00 175.52 174.45 3huf n LEU 322 N -4.19 0.00 -4.66 2.58 4.77 -0.37 -4.92 117.00 110.22 3huf n LEU 322 Ca -0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 3huf n LEU 322 Cb 0.73 0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 42.14 3huf n LEU 322 CO 0.47 0.39 0.38 -0.69 -1.33 0.00 0.00 177.39 176.61 3huf s VAL 323 N -2.58 5.02 0.49 4.08 1.01 0.31 -5.00 120.40 123.72 3huf s VAL 323 Ca -0.09 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.84 3huf s VAL 323 Cb 0.06 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 3huf s VAL 323 CO 0.76 0.10 1.40 -2.84 0.00 0.00 0.00 175.10 174.52 3huf s PRO 324 N 1.96 3.49 0.00 2.72 0.02 -1.26 -4.79 135.00 137.14 3huf s PRO 324 Ca 0.29 2.35 0.28 0.00 0.02 0.00 0.00 61.00 63.93 3huf s PRO 324 Cb -0.16 -2.51 0.98 0.00 0.02 0.00 0.00 34.50 32.83 3huf s PRO 324 CO 0.10 -0.95 1.70 2.89 -0.33 0.00 0.00 177.00 180.41