#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yha s ILE 2 N 0.00 1.03 -0.13 1.12 1.01 -1.26 -4.92 121.20 118.05 1yha s ILE 2 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 1yha s ILE 2 Cb 0.00 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1yha s ILE 2 CO 0.00 0.20 1.30 -0.75 0.00 0.00 0.00 174.94 175.69 1yha s LYS 3 N -0.53 4.25 -0.11 2.79 2.36 -1.26 -2.45 119.74 124.79 1yha s LYS 3 Ca 0.04 1.73 0.03 0.00 -2.55 0.00 0.00 55.97 55.23 1yha s LYS 3 Cb -0.06 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.99 1yha s LYS 3 CO -0.00 -0.67 -0.23 0.08 1.55 0.00 0.00 175.35 176.09 1yha s VAL 4 N 3.26 2.00 -0.12 4.02 1.01 -0.42 -1.43 120.40 128.71 1yha s VAL 4 Ca 0.57 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1yha s VAL 4 Cb -0.24 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1yha s VAL 4 CO 0.18 0.55 -0.21 -0.70 0.00 0.00 0.00 175.10 174.92 1yha s GLU 5 N 0.50 2.84 -0.48 2.72 2.12 -0.64 -0.85 118.70 124.91 1yha s GLU 5 Ca -0.15 -0.80 -0.16 0.00 0.36 0.00 0.00 54.97 54.23 1yha s GLU 5 Cb -0.17 -2.27 0.08 0.00 0.26 0.00 0.00 34.13 32.03 1yha s GLU 5 CO 0.05 0.03 0.42 0.42 -0.54 0.00 0.00 175.26 175.65 1yha s ILE 6 N 0.71 5.21 0.45 -3.70 1.09 0.40 -1.50 121.20 123.87 1yha s ILE 6 Ca -0.10 -1.09 -0.23 0.00 -1.10 0.00 0.00 60.65 58.13 1yha s ILE 6 Cb -0.16 -4.17 -0.08 0.00 -1.06 0.00 0.00 42.46 36.99 1yha s ILE 6 CO 0.01 -0.63 1.11 -0.54 -0.10 0.00 0.00 174.94 174.79 1yha s LYS 7 N 1.69 3.86 0.35 2.79 1.02 -1.26 -1.03 119.74 127.16 1yha s LYS 7 Ca 0.04 1.62 0.16 0.00 0.02 0.00 0.00 55.97 57.81 1yha s LYS 7 Cb -0.25 -2.37 1.17 0.00 -0.52 0.00 0.00 37.83 35.86 1yha s LYS 7 CO 0.06 -0.43 1.61 -1.35 -0.92 0.00 0.00 175.35 174.33 1yha h PRO 8 N 2.05 0.12 -1.10 -1.68 0.11 -1.97 0.39 132.00 129.93 1yha h PRO 8 Ca -0.49 -0.01 0.31 0.00 0.11 0.00 0.00 66.00 65.93 1yha h PRO 8 Cb 1.23 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1yha h PRO 8 CO 0.60 0.08 0.69 0.66 -0.21 0.00 0.00 178.00 179.82 1yha h SER 9 N 0.13 0.43 0.28 -2.05 4.64 -2.01 -1.17 113.55 113.81 1yha h SER 9 Ca 0.77 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 62.21 1yha h SER 9 Cb 1.90 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1yha h SER 9 CO -0.72 -0.02 -0.07 0.00 -0.87 0.00 0.00 176.83 175.15 1yha n GLN 10 N -4.75 0.81 0.14 4.77 6.02 0.13 -4.55 117.38 119.95 1yha n GLN 10 Ca 0.29 -0.25 0.17 0.00 -0.01 0.00 0.00 57.00 57.21 1yha n GLN 10 Cb 1.02 -1.49 0.75 0.00 1.02 0.00 0.00 30.24 31.54 1yha n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yha h ALA 11 N 3.73 2.07 -2.68 -1.58 0.00 -1.31 -3.40 119.26 116.09 1yha h ALA 11 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1yha h ALA 11 Cb 0.31 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1yha h ALA 11 CO 0.00 -0.39 -0.49 -1.14 0.00 0.00 0.00 179.25 177.24 1yha s GLN 12 N -4.81 3.43 1.10 0.00 2.00 -1.26 -4.73 119.66 115.39 1yha s GLN 12 Ca -0.05 -0.14 -0.16 0.00 -2.00 0.00 0.00 55.36 53.01 1yha s GLN 12 Cb 0.17 -3.18 0.24 0.00 0.80 0.00 0.00 33.01 31.04 1yha s GLN 12 CO 0.62 0.77 1.11 -0.59 -0.50 0.00 0.00 175.29 176.70 1yha s PHE 13 N -1.00 1.27 -0.06 1.67 -0.12 -1.26 -4.77 117.98 113.72 1yha s PHE 13 Ca 0.15 0.71 -0.02 0.00 -0.05 0.00 0.00 56.93 57.71 1yha s PHE 13 Cb -0.12 -3.39 0.04 0.00 -0.63 0.00 0.00 43.02 38.92 1yha s PHE 13 CO 0.04 -3.40 0.12 0.95 -0.05 0.00 0.00 175.22 172.88 1yha s THR 14 N -3.02 -0.08 0.38 -4.49 -4.23 0.68 -4.90 115.64 99.98 1yha s THR 14 Ca 0.68 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1yha s THR 14 Cb -0.14 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 1yha s THR 14 CO 0.57 0.09 0.59 0.28 -0.54 0.00 0.00 174.62 175.61 1yha s THR 15 N 1.34 4.80 -0.47 3.99 -1.32 -1.26 -0.48 115.64 122.24 1yha s THR 15 Ca -0.07 -0.45 0.06 0.00 -1.21 0.00 0.00 61.69 60.03 1yha s THR 15 Cb -0.12 -3.76 0.27 0.00 -1.51 0.00 0.00 72.50 67.38 1yha s THR 15 CO -0.05 -0.51 0.91 -1.14 -2.21 0.00 0.00 174.62 171.61 1yha n ARG 16 N -1.88 0.84 -0.86 7.08 0.63 0.38 -4.95 116.66 117.90 1yha n ARG 16 Ca -0.03 -1.97 -0.36 0.00 -0.92 0.00 0.00 57.85 54.57 1yha n ARG 16 Cb 0.56 -1.34 0.09 0.00 0.45 0.00 0.00 32.46 32.22 1yha n ARG 16 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1yha n SER 17 N 1.25 -3.14 0.00 6.15 7.64 -1.25 -2.88 113.62 121.38 1yha n SER 17 Ca 0.10 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1yha n SER 17 Cb 0.64 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1yha n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yha n GLY 18 N 2.75 1.49 2.92 0.23 0.00 0.49 -4.48 105.19 108.60 1yha n GLY 18 Ca -0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1yha n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yha s VAL 19 N -1.99 0.20 0.07 1.61 1.01 -1.26 -0.26 120.40 119.78 1yha s VAL 19 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1yha s VAL 19 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1yha s VAL 19 CO 0.00 -0.01 -0.05 -0.55 0.00 0.00 0.00 175.10 174.49 1yha s SER 20 N -0.24 0.84 0.00 3.32 0.15 -0.51 -4.79 113.70 112.46 1yha s SER 20 Ca -0.01 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1yha s SER 20 Cb -0.02 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1yha s SER 20 CO -0.00 -0.49 0.00 0.54 1.20 0.00 0.00 173.24 174.49 1yha n ARG 21 N 0.21 0.00 0.17 5.44 1.74 -1.26 -0.98 116.66 121.99 1yha n ARG 21 Ca -0.14 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.11 1yha n ARG 21 Cb 0.60 -0.45 0.63 0.00 -1.02 0.00 0.00 32.46 32.21 1yha n ARG 21 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1yha h GLN 22 N 0.00 0.00 0.00 5.56 3.07 -2.08 -3.38 115.11 118.29 1yha h GLN 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1yha h GLN 22 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1yha h GLN 22 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1yha n GLY 23 N -1.42 0.00 2.48 0.06 0.00 -1.25 -5.14 105.19 99.91 1yha n GLY 23 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1yha n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yha n LYS 24 N 0.00 2.70 -1.62 1.61 5.02 -0.15 -5.05 118.16 120.68 1yha n LYS 24 Ca 0.00 -4.02 -0.51 0.00 -2.02 0.00 0.00 58.31 51.77 1yha n LYS 24 Cb 0.00 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.02 1yha n LYS 24 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1yha n PRO 25 N -0.43 1.64 -2.27 1.97 -0.02 -1.23 -1.43 135.00 133.23 1yha n PRO 25 Ca 0.29 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 1yha n PRO 25 Cb 0.78 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1yha n PRO 25 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1yha n TYR 26 N 7.69 3.94 -1.33 6.00 0.18 0.64 -4.86 117.16 129.42 1yha n TYR 26 Ca 0.29 -2.96 -0.27 0.00 1.88 0.00 0.00 57.90 56.84 1yha n TYR 26 Cb 0.25 -2.40 0.13 0.00 -0.38 0.00 0.00 39.34 36.94 1yha n TYR 26 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1yha n SER 27 N 6.21 5.46 -0.29 9.48 7.64 -1.24 0.19 113.62 141.06 1yha n SER 27 Ca 0.46 -3.71 -0.04 0.00 1.01 0.00 0.00 58.87 56.60 1yha n SER 27 Cb 0.41 -0.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1yha n SER 27 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yha n LEU 28 N -1.03 -0.02 -4.15 -3.43 4.77 -1.14 -4.11 117.00 107.89 1yha n LEU 28 Ca 0.59 0.08 -0.28 0.00 -0.03 0.00 0.00 56.01 56.36 1yha n LEU 28 Cb 1.15 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 42.01 1yha n LEU 28 CO 0.65 -0.15 -0.52 0.20 -1.33 0.00 0.00 177.39 176.25 1yha s ASN 29 N -0.02 2.44 0.01 -1.43 -0.87 -1.26 0.14 114.94 113.95 1yha s ASN 29 Ca 0.05 -0.42 0.05 0.00 -1.57 0.00 0.00 52.86 50.98 1yha s ASN 29 Cb -0.08 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.25 40.24 1yha s ASN 29 CO 0.04 0.14 -0.15 -1.61 -2.57 0.00 0.00 177.10 172.94 1yha s GLU 30 N 0.23 1.13 0.28 -0.60 2.02 0.37 -2.79 118.70 119.34 1yha s GLU 30 Ca -0.10 -0.66 0.09 0.00 0.02 0.00 0.00 54.97 54.31 1yha s GLU 30 Cb -0.14 -1.13 -0.06 0.00 0.10 0.00 0.00 34.13 32.90 1yha s GLU 30 CO 0.04 0.30 -0.12 -1.14 0.02 0.00 0.00 175.26 174.36 1yha s GLN 31 N -0.74 1.61 0.10 1.61 0.74 0.33 -0.23 119.66 123.08 1yha s GLN 31 Ca 0.04 -1.78 0.10 0.00 0.05 0.00 0.00 55.36 53.77 1yha s GLN 31 Cb -0.07 -1.45 -0.04 0.00 1.10 0.00 0.00 33.01 32.55 1yha s GLN 31 CO 0.00 0.17 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.15 1yha s LEU 32 N -3.48 2.34 0.26 3.68 1.02 -1.26 -0.41 118.68 120.84 1yha s LEU 32 Ca 0.29 -0.66 0.07 0.00 0.02 0.00 0.00 54.13 53.85 1yha s LEU 32 Cb 0.00 -1.30 -0.05 0.00 0.02 0.00 0.00 46.19 44.86 1yha s LEU 32 CO 0.13 0.21 -0.09 0.00 0.02 0.00 0.00 176.35 176.61 1yha s TYR 34 N -2.96 3.12 -0.21 0.00 2.02 -0.56 -1.67 117.35 117.09 1yha s TYR 34 Ca 0.28 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.58 1yha s TYR 34 Cb 0.02 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1yha s TYR 34 CO 0.11 -0.34 -0.03 0.08 -1.57 0.00 0.00 175.55 173.79 1yha s VAL 35 N 1.64 3.52 -0.56 0.71 1.01 0.16 -1.62 120.40 125.25 1yha s VAL 35 Ca 0.06 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1yha s VAL 35 Cb -0.15 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1yha s VAL 35 CO 0.05 0.43 0.87 -0.62 0.00 0.00 0.00 175.10 175.83 1yha s ASP 36 N 1.30 6.28 -0.29 3.32 -1.08 -0.52 -1.69 116.67 124.00 1yha s ASP 36 Ca 0.04 -0.60 -0.06 0.00 -0.52 0.00 0.00 52.55 51.41 1yha s ASP 36 Cb -0.14 -2.40 -0.18 0.00 -1.46 0.00 0.00 42.92 38.74 1yha s ASP 36 CO -0.01 -1.18 3.37 0.18 0.52 0.00 0.00 175.17 178.05 1yha n LEU 37 N 7.19 5.92 0.00 -1.34 4.77 -1.26 -4.15 117.00 128.12 1yha n LEU 37 Ca -0.01 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 1yha n LEU 37 Cb 0.47 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1yha n LEU 37 CO 0.61 1.76 0.00 0.61 -1.33 0.00 0.00 177.39 179.04 1yha n GLY 38 N 2.30 2.22 1.68 -0.72 0.00 -1.26 -5.03 105.19 104.39 1yha n GLY 38 Ca 0.48 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1yha n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yha n ASN 39 N 3.14 -0.62 0.00 1.61 3.02 -1.26 -4.90 115.26 116.25 1yha n ASN 39 Ca 0.00 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1yha n ASN 39 Cb 0.00 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1yha n ASN 39 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1yha n GLU 40 N 0.50 0.00 -4.53 3.52 4.07 -1.26 -4.67 120.64 118.27 1yha n GLU 40 Ca 0.09 0.30 -0.33 0.00 -0.06 0.00 0.00 57.16 57.16 1yha n GLU 40 Cb 0.12 -1.53 -0.15 0.00 -0.06 0.00 0.00 31.44 29.83 1yha n GLU 40 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1yha s HIS 41 N -2.58 2.81 0.33 4.31 0.09 -1.26 -5.12 115.29 113.88 1yha s HIS 41 Ca 0.00 -0.90 -0.29 0.00 -0.00 0.00 0.00 55.06 53.88 1yha s HIS 41 Cb 0.00 -1.90 -0.11 0.00 -0.00 0.00 0.00 32.58 30.57 1yha s HIS 41 CO 0.00 -0.40 1.41 -2.14 -0.00 0.00 0.00 174.74 173.62 1yha s PRO 42 N 0.74 4.23 -0.17 8.40 0.02 -1.26 -4.57 135.00 142.39 1yha s PRO 42 Ca -0.06 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 1yha s PRO 42 Cb -0.15 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 1yha s PRO 42 CO 0.01 -0.38 -0.03 0.08 -0.33 0.00 0.00 177.00 176.36 1yha s VAL 43 N -0.90 3.89 -0.63 3.83 1.01 -0.68 -4.85 120.40 122.06 1yha s VAL 43 Ca 0.53 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 1yha s VAL 43 Cb -0.43 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1yha s VAL 43 CO 0.55 0.47 1.52 -0.22 0.00 0.00 0.00 175.10 177.42 1yha s LEU 44 N 0.61 3.29 0.26 3.92 2.96 -1.25 0.39 118.68 128.85 1yha s LEU 44 Ca -0.02 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1yha s LEU 44 Cb -0.14 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1yha s LEU 44 CO 0.02 -1.96 0.20 -0.69 -1.32 0.00 0.00 176.35 172.60 1yha s VAL 45 N 6.93 4.36 -0.08 1.68 1.01 -0.67 -4.98 120.40 128.65 1yha s VAL 45 Ca 0.52 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1yha s VAL 45 Cb -0.11 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1yha s VAL 45 CO 0.21 -0.34 -0.03 -0.75 0.00 0.00 0.00 175.10 174.19 1yha s LYS 46 N -3.85 2.89 -0.20 2.72 2.47 -1.26 -1.86 119.74 120.65 1yha s LYS 46 Ca 0.34 -0.47 -0.04 0.00 -1.56 0.00 0.00 55.97 54.23 1yha s LYS 46 Cb -0.08 -2.70 -0.02 0.00 -1.46 0.00 0.00 37.83 33.57 1yha s LYS 46 CO 0.25 0.67 -0.02 0.42 0.16 0.00 0.00 175.35 176.83 1yha s ILE 47 N -0.81 3.73 -0.36 5.43 1.01 0.46 -4.80 121.20 125.86 1yha s ILE 47 Ca 0.12 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1yha s ILE 47 Cb -0.11 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 1yha s ILE 47 CO 0.02 0.43 0.28 -0.89 0.00 0.00 0.00 174.94 174.78 1yha s THR 48 N 1.11 5.25 0.23 2.92 2.01 -1.26 -0.51 115.64 125.38 1yha s THR 48 Ca 0.02 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1yha s THR 48 Cb -0.14 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1yha s THR 48 CO 0.01 -0.09 1.11 -0.76 -0.69 0.00 0.00 174.62 174.19 1yha s LEU 49 N 1.79 4.52 -0.14 4.42 1.43 -1.12 -4.72 118.68 124.86 1yha s LEU 49 Ca 0.07 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.32 1yha s LEU 49 Cb -0.17 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1yha s LEU 49 CO 0.11 -0.20 0.02 1.51 0.23 0.00 0.00 176.35 178.02 1yha s ASP 50 N -0.47 5.32 0.00 2.29 1.47 -1.26 -4.66 116.67 119.36 1yha s ASP 50 Ca 0.47 0.07 0.00 0.00 1.18 0.00 0.00 52.55 54.27 1yha s ASP 50 Cb -0.31 -1.76 0.00 0.00 -0.34 0.00 0.00 42.92 40.51 1yha s ASP 50 CO 0.38 0.25 0.00 -0.62 0.68 0.00 0.00 175.17 175.87 1yha n GLU 51 N 2.98 0.00 0.00 2.11 -0.58 -1.26 -1.59 120.64 122.30 1yha n GLU 51 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1yha n GLU 51 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1yha n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yha n GLY 52 N 0.00 2.99 3.80 0.62 0.00 -1.26 -5.00 105.19 106.34 1yha n GLY 52 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1yha n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yha s GLN 53 N -0.45 3.99 0.42 1.61 -0.44 -0.62 -5.10 119.66 119.07 1yha s GLN 53 Ca 0.00 0.24 0.07 0.00 -2.50 0.00 0.00 55.36 53.17 1yha s GLN 53 Cb 0.00 -3.30 -0.04 0.00 -1.64 0.00 0.00 33.01 28.03 1yha s GLN 53 CO 0.00 0.51 0.26 -1.25 0.50 0.00 0.00 175.29 175.32 1yha s PRO 54 N -0.42 2.34 0.21 1.67 0.04 -1.26 -4.42 135.00 133.15 1yha s PRO 54 Ca 0.20 -1.74 -0.31 0.00 0.04 0.00 0.00 61.00 59.19 1yha s PRO 54 Cb -0.15 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 1yha s PRO 54 CO 0.09 -0.17 1.60 0.00 0.04 0.00 0.00 177.00 178.56 1yha s ALA 55 N -2.56 3.80 0.30 8.56 0.00 -1.26 -4.93 121.76 125.67 1yha s ALA 55 Ca 0.43 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 53.56 1yha s ALA 55 Cb 0.01 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 1yha s ALA 55 CO 0.24 -0.85 1.35 0.71 0.00 0.00 0.00 175.76 177.21 1yha s TYR 56 N 0.83 3.04 0.71 0.00 1.51 -1.26 -5.01 117.35 117.17 1yha s TYR 56 Ca 0.69 1.29 -0.17 0.00 -1.01 0.00 0.00 57.07 57.87 1yha s TYR 56 Cb -0.46 -3.72 -0.06 0.00 -0.11 0.00 0.00 41.96 37.61 1yha s TYR 56 CO 0.36 -2.11 0.38 0.00 -1.11 0.00 0.00 175.55 173.06 1yha n ALA 57 N 1.34 -1.90 -1.49 3.71 0.00 -1.26 -4.71 120.51 116.19 1yha n ALA 57 Ca 0.02 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.83 1yha n ALA 57 Cb 0.41 -1.76 0.02 0.00 0.00 0.00 0.00 19.45 18.12 1yha n ALA 57 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yha n PRO 58 N -0.26 0.70 -0.97 0.00 -0.01 -1.26 -4.83 135.00 128.38 1yha n PRO 58 Ca 0.09 0.26 0.00 0.00 -0.01 0.00 0.00 63.50 63.84 1yha n PRO 58 Cb 0.50 -1.71 0.00 0.00 -0.01 0.00 0.00 33.50 32.28 1yha n PRO 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1yha n GLY 59 N 1.65 0.50 3.41 -1.23 0.00 -0.19 -4.94 105.19 104.39 1yha n GLY 59 Ca 0.11 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 1yha n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yha s LEU 60 N 0.00 3.21 0.07 0.99 1.43 -1.26 -0.45 118.68 122.67 1yha s LEU 60 Ca 0.00 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1yha s LEU 60 Cb 0.00 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1yha s LEU 60 CO 0.00 0.01 -0.20 -0.31 0.23 0.00 0.00 176.35 176.08 1yha s TYR 61 N 1.33 1.70 0.13 0.29 1.51 -0.03 -4.47 117.35 117.81 1yha s TYR 61 Ca 0.04 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1yha s TYR 61 Cb -0.15 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1yha s TYR 61 CO 0.01 0.14 0.09 0.95 -1.11 0.00 0.00 175.55 175.63 1yha s THR 62 N -1.01 4.34 -0.22 -0.71 -4.23 0.75 -1.31 115.64 113.26 1yha s THR 62 Ca 0.06 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.26 1yha s THR 62 Cb -0.09 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1yha s THR 62 CO 0.03 -0.02 0.96 -0.69 -0.54 0.00 0.00 174.62 174.36 1yha s VAL 63 N -1.60 4.75 0.08 2.29 1.01 -1.02 -1.76 120.40 124.15 1yha s VAL 63 Ca 0.29 1.86 -0.31 0.00 0.00 0.00 0.00 61.98 63.83 1yha s VAL 63 Cb -0.11 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1yha s VAL 63 CO 0.22 -0.11 1.23 -2.28 0.00 0.00 0.00 175.10 174.16 1yha s HIS 64 N 2.89 3.40 0.64 5.22 5.04 0.54 -2.32 115.29 130.71 1yha s HIS 64 Ca 0.41 1.25 0.38 0.00 -1.54 0.00 0.00 55.06 55.56 1yha s HIS 64 Cb -0.15 -3.47 2.11 0.00 0.04 0.00 0.00 32.58 31.11 1yha s HIS 64 CO 0.08 -1.47 2.26 -0.07 -2.34 0.00 0.00 174.74 173.20 1yha h LEU 65 N 6.68 0.00 0.00 8.88 3.38 -1.95 -0.08 115.31 132.23 1yha h LEU 65 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1yha h LEU 65 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1yha h LEU 65 CO 0.82 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.81 1yha n SER 66 N -3.33 0.00 0.26 -0.43 3.41 -1.26 -1.16 113.62 111.11 1yha n SER 66 Ca -0.02 0.27 0.17 0.00 -0.26 0.00 0.00 58.87 59.03 1yha n SER 66 Cb 0.14 -0.38 0.87 0.00 -0.26 0.00 0.00 64.21 64.58 1yha n SER 66 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1yha h SER 67 N 0.00 0.00 -3.04 4.04 0.87 -1.21 -3.45 113.55 110.77 1yha h SER 67 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 1yha h SER 67 Cb 0.18 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.05 1yha h SER 67 CO 0.00 0.00 -0.56 -0.36 -0.53 0.00 0.00 176.83 175.38 1yha s PHE 68 N -3.81 3.34 0.07 2.24 0.08 -0.31 -1.35 117.98 118.24 1yha s PHE 68 Ca -0.02 0.24 -0.09 0.00 0.12 0.00 0.00 56.93 57.19 1yha s PHE 68 Cb 0.10 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1yha s PHE 68 CO 0.37 0.57 0.18 -1.59 -0.10 0.00 0.00 175.22 174.65 1yha s LYS 69 N -1.74 0.76 -0.35 0.44 -2.85 0.56 -4.85 119.74 111.72 1yha s LYS 69 Ca 0.23 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.26 1yha s LYS 69 Cb -0.12 0.31 0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1yha s LYS 69 CO 0.14 -0.23 0.20 0.08 0.10 0.00 0.00 175.35 175.64 1yha s VAL 70 N -3.31 4.70 0.21 1.79 1.01 -1.26 -0.16 120.40 123.39 1yha s VAL 70 Ca 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1yha s VAL 70 Cb 0.02 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.94 1yha s VAL 70 CO -0.08 -0.10 0.17 0.61 0.00 0.00 0.00 175.10 175.70 1yha n GLY 71 N 5.01 -2.77 0.11 4.51 0.00 0.04 -4.86 105.19 107.23 1yha n GLY 71 Ca -0.13 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1yha n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1yha h GLN 72 N 0.00 0.21 -1.52 1.61 4.20 -1.98 -1.36 115.11 116.28 1yha h GLN 72 Ca -0.07 -0.01 -0.70 0.00 0.06 0.00 0.00 58.65 57.93 1yha h GLN 72 Cb 0.21 -0.05 -0.27 0.00 0.30 0.00 0.00 27.48 27.67 1yha h GLN 72 CO 0.04 0.14 0.92 1.19 -0.67 0.00 0.00 178.83 180.46 1yha n PHE 73 N -5.01 2.98 -1.20 2.96 3.01 -1.26 -4.92 117.46 114.02 1yha n PHE 73 Ca -0.02 -2.62 -0.07 0.00 1.01 0.00 0.00 57.45 55.75 1yha n PHE 73 Cb 0.06 -1.31 -0.03 0.00 -0.01 0.00 0.00 39.48 38.19 1yha n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yha n GLY 74 N -0.61 0.77 3.80 1.37 0.00 -0.51 -5.02 105.19 104.99 1yha n GLY 74 Ca 0.57 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 1yha n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yha s SER 75 N -2.37 7.18 0.48 1.61 0.01 -1.26 -4.80 113.70 114.55 1yha s SER 75 Ca 0.00 1.54 -0.19 0.00 1.31 0.00 0.00 55.95 58.61 1yha s SER 75 Cb 0.00 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 1yha s SER 75 CO 0.00 0.06 0.99 -0.22 0.41 0.00 0.00 173.24 174.48 1yha s LEU 76 N -1.77 3.77 0.01 2.44 2.96 -1.26 -0.78 118.68 124.05 1yha s LEU 76 Ca 0.42 1.69 -0.22 0.00 -0.22 0.00 0.00 54.13 55.80 1yha s LEU 76 Cb -0.19 -4.53 0.05 0.00 0.50 0.00 0.00 46.19 42.02 1yha s LEU 76 CO 0.23 -0.58 0.50 0.00 -1.32 0.00 0.00 176.35 175.18 1yha s MET 77 N -3.59 0.96 -0.13 1.98 0.23 0.78 -4.89 119.30 114.64 1yha s MET 77 Ca 0.62 -0.14 -0.29 0.00 -1.03 0.00 0.00 55.69 54.84 1yha s MET 77 Cb -0.11 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1yha s MET 77 CO 0.23 -0.32 1.19 0.42 -2.03 0.00 0.00 175.02 174.51 1yha s ILE 78 N -1.99 4.36 -0.17 3.16 1.09 -1.26 -0.32 121.20 126.07 1yha s ILE 78 Ca -0.08 1.66 -0.15 0.00 -1.10 0.00 0.00 60.65 60.98 1yha s ILE 78 Cb -0.01 -4.07 -0.10 0.00 -1.06 0.00 0.00 42.46 37.22 1yha s ILE 78 CO 0.02 -0.08 -0.02 -0.67 -0.10 0.00 0.00 174.94 174.09 1yha n ASP 79 N 5.92 1.83 -3.85 3.58 2.03 -0.46 -4.87 116.55 120.74 1yha n ASP 79 Ca 0.12 0.54 -0.12 0.00 0.52 0.00 0.00 54.79 55.85 1yha n ASP 79 Cb 0.46 -0.91 -0.11 0.00 -0.72 0.00 0.00 41.12 39.84 1yha n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1yha s ARG 80 N -2.30 0.38 -0.20 -0.67 0.52 -1.20 -5.05 118.95 110.42 1yha s ARG 80 Ca -0.21 -0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 1yha s ARG 80 Cb 0.04 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 1yha s ARG 80 CO 0.38 -0.08 1.29 -1.17 0.02 0.00 0.00 175.30 175.75 1yha s LEU 81 N -0.81 4.09 -0.36 2.53 2.96 -1.26 -4.40 118.68 121.43 1yha s LEU 81 Ca -0.09 1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 55.30 1yha s LEU 81 Cb -0.05 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1yha s LEU 81 CO 0.01 -0.87 0.16 -0.60 -1.32 0.00 0.00 176.35 173.73 1yha s ARG 82 N 3.73 2.72 0.08 1.98 6.06 -1.26 -4.77 118.95 127.49 1yha s ARG 82 Ca 0.56 -1.14 0.06 0.00 -2.50 0.00 0.00 55.73 52.71 1yha s ARG 82 Cb -0.21 -3.61 -0.04 0.00 0.06 0.00 0.00 34.95 31.15 1yha s ARG 82 CO 0.18 -0.69 -0.08 -0.51 -2.50 0.00 0.00 175.30 171.70 1yha s LEU 83 N 1.48 3.13 -0.01 -0.88 1.43 -1.26 -0.34 118.68 122.24 1yha s LEU 83 Ca 0.00 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1yha s LEU 83 Cb -0.19 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1yha s LEU 83 CO 0.05 0.20 -0.16 0.68 0.23 0.00 0.00 176.35 177.36 1yha s VAL 84 N -1.17 1.23 0.10 -1.59 -7.23 -0.72 -4.91 120.40 106.12 1yha s VAL 84 Ca 0.21 -0.71 -0.31 0.00 -1.81 0.00 0.00 61.98 59.36 1yha s VAL 84 Cb -0.11 -1.04 -0.10 0.00 0.56 0.00 0.00 36.38 35.70 1yha s VAL 84 CO 0.13 0.31 1.76 -2.84 -0.31 0.00 0.00 175.10 174.15 1yha s PRO 85 N -0.46 4.16 0.00 4.82 0.02 -1.26 -0.18 135.00 142.10 1yha s PRO 85 Ca 0.06 2.49 0.06 0.00 0.02 0.00 0.00 61.00 63.63 1yha s PRO 85 Cb -0.06 -3.59 0.09 0.00 0.02 0.00 0.00 34.50 30.97 1yha s PRO 85 CO -0.00 -0.80 1.02 0.00 -0.33 0.00 0.00 177.00 176.89 1yha n ALA 86 N 5.61 2.09 -0.33 -1.55 0.00 -1.26 -4.92 120.51 120.15 1yha n ALA 86 Ca 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1yha n ALA 86 Cb 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1yha n ALA 86 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86