#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pht s GLU 4 N 0.00 0.31 0.41 0.00 -1.05 -1.26 0.07 118.70 117.18 1pht s GLU 4 Ca 0.00 -0.46 0.07 0.00 -0.15 0.00 0.00 54.97 54.43 1pht s GLU 4 Cb 0.00 -0.09 -0.07 0.00 -0.44 0.00 0.00 34.13 33.54 1pht s GLU 4 CO 0.00 0.01 0.08 0.20 0.95 0.00 0.00 175.26 176.50 1pht s GLY 5 N -1.00 2.43 -0.10 -3.83 0.00 0.42 -3.37 107.32 101.86 1pht s GLY 5 Ca -0.09 -2.22 -0.01 0.00 0.00 0.00 0.00 44.72 42.40 1pht s GLY 5 CO -0.00 -2.02 -0.05 -0.19 0.00 0.00 0.00 173.10 170.84 1pht s TYR 6 N -2.66 3.01 -0.01 1.90 2.02 0.30 -1.18 117.35 120.73 1pht s TYR 6 Ca 0.37 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1pht s TYR 6 Cb 0.07 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1pht s TYR 6 CO 0.20 0.21 0.01 -0.65 -1.57 0.00 0.00 175.55 173.75 1pht s GLN 7 N -0.37 2.82 0.07 -0.62 -0.21 0.80 -0.39 119.66 121.77 1pht s GLN 7 Ca 0.06 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1pht s GLN 7 Cb -0.12 -2.69 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 1pht s GLN 7 CO 0.02 0.63 -0.09 0.71 -2.12 0.00 0.00 175.29 174.44 1pht s TYR 8 N -1.08 0.88 -0.06 0.91 1.51 -0.29 -0.85 117.35 118.36 1pht s TYR 8 Ca 0.19 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1pht s TYR 8 Cb -0.12 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 1pht s TYR 8 CO 0.10 -0.06 -0.24 0.50 -1.11 0.00 0.00 175.55 174.75 1pht s ARG 9 N -2.38 2.51 0.04 -0.62 3.52 0.79 -0.69 118.95 122.12 1pht s ARG 9 Ca -0.01 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 1pht s ARG 9 Cb -0.05 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.20 1pht s ARG 9 CO -0.01 0.32 1.24 0.00 -0.81 0.00 0.00 175.30 176.05 1pht s ALA 10 N -0.04 3.45 -0.44 6.12 0.00 -0.32 -0.89 121.76 129.65 1pht s ALA 10 Ca -0.06 0.84 0.18 0.00 0.00 0.00 0.00 51.96 52.92 1pht s ALA 10 Cb -0.14 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.25 1pht s ALA 10 CO 0.04 -0.57 0.59 1.28 0.00 0.00 0.00 175.76 177.10 1pht n LEU 11 N 4.34 0.43 -4.13 0.00 4.77 0.28 -1.23 117.00 121.45 1pht n LEU 11 Ca 0.10 -0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1pht n LEU 11 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1pht n LEU 11 CO 0.56 0.11 -0.37 -0.31 -1.33 0.00 0.00 177.39 176.04 1pht s TYR 12 N -2.99 0.70 0.10 -1.77 2.02 -1.18 -4.89 117.35 109.34 1pht s TYR 12 Ca 0.00 -0.98 -0.17 0.00 -0.37 0.00 0.00 57.07 55.55 1pht s TYR 12 Cb 0.13 -0.45 -0.07 0.00 -0.40 0.00 0.00 41.96 41.17 1pht s TYR 12 CO 0.76 -0.26 0.56 -0.51 -1.57 0.00 0.00 175.55 174.53 1pht s ASP 13 N -2.95 6.97 -0.02 2.29 1.11 -1.26 -4.20 116.67 118.62 1pht s ASP 13 Ca 0.09 1.20 -0.00 0.00 0.18 0.00 0.00 52.55 54.01 1pht s ASP 13 Cb 0.06 -2.33 0.03 0.00 1.07 0.00 0.00 42.92 41.74 1pht s ASP 13 CO -0.07 0.21 0.03 -0.47 1.18 0.00 0.00 175.17 176.05 1pht s TYR 14 N -1.24 0.02 -0.22 4.23 5.04 -0.30 -4.93 117.35 119.95 1pht s TYR 14 Ca 0.32 0.13 -0.09 0.00 -2.44 0.00 0.00 57.07 54.99 1pht s TYR 14 Cb -0.18 -0.20 -0.04 0.00 0.35 0.00 0.00 41.96 41.89 1pht s TYR 14 CO 0.19 -0.08 0.11 0.21 -1.34 0.00 0.00 175.55 174.63 1pht s LYS 15 N 0.92 3.95 0.17 4.97 2.20 -1.26 -0.76 119.74 129.93 1pht s LYS 15 Ca -0.08 -0.34 -0.33 0.00 -0.36 0.00 0.00 55.97 54.86 1pht s LYS 15 Cb -0.11 -3.38 -0.14 0.00 -1.51 0.00 0.00 37.83 32.69 1pht s LYS 15 CO -0.03 0.09 1.53 0.36 -0.36 0.00 0.00 175.35 176.94 1pht n LYS 16 N 4.15 2.07 -0.03 4.03 2.85 -1.26 -4.94 118.16 125.03 1pht n LYS 16 Ca -0.16 0.75 -0.02 0.00 -1.05 0.00 0.00 58.31 57.83 1pht n LYS 16 Cb 0.52 -2.49 -0.01 0.00 -0.65 0.00 0.00 35.03 32.41 1pht n LYS 16 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1pht h GLU 17 N 5.51 0.00 -6.95 -1.58 5.08 -1.93 -3.48 114.58 111.22 1pht h GLU 17 Ca -0.45 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.42 1pht h GLU 17 Cb 1.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.53 1pht h GLU 17 CO 0.86 0.00 0.17 1.03 -1.00 0.00 0.00 179.01 180.07 1pht s ARG 18 N -1.52 3.71 0.53 2.33 0.52 -1.26 -4.97 118.95 118.29 1pht s ARG 18 Ca -0.06 0.47 0.35 0.00 -0.52 0.00 0.00 55.73 55.97 1pht s ARG 18 Cb 0.01 -2.33 1.64 0.00 0.52 0.00 0.00 34.95 34.79 1pht s ARG 18 CO 0.08 -0.16 2.05 1.49 0.02 0.00 0.00 175.30 178.78 1pht h GLU 19 N 0.79 0.00 -0.17 3.54 4.81 -2.02 -1.83 114.58 119.70 1pht h GLU 19 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1pht h GLU 19 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1pht h GLU 19 CO 0.63 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.30 1pht n GLU 20 N -2.91 1.78 -2.49 1.92 -0.58 -1.26 -4.88 120.64 112.21 1pht n GLU 20 Ca -0.01 -1.17 -0.25 0.00 -0.42 0.00 0.00 57.16 55.31 1pht n GLU 20 Cb 0.20 -1.40 0.03 0.00 -0.57 0.00 0.00 31.44 29.70 1pht n GLU 20 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pht s ASP 21 N -1.58 5.50 0.17 1.62 1.01 -0.69 -0.75 116.67 121.94 1pht s ASP 21 Ca 0.33 0.54 0.08 0.00 0.71 0.00 0.00 52.55 54.21 1pht s ASP 21 Cb 0.18 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.55 1pht s ASP 21 CO 0.27 -1.08 -0.18 0.27 0.21 0.00 0.00 175.17 174.66 1pht s ILE 22 N -2.93 1.81 0.33 0.77 -4.36 -0.44 -4.63 121.20 111.75 1pht s ILE 22 Ca 0.54 -1.94 -0.25 0.00 -0.26 0.00 0.00 60.65 58.74 1pht s ILE 22 Cb -0.10 -1.86 -0.10 0.00 1.25 0.00 0.00 42.46 41.65 1pht s ILE 22 CO 0.43 -0.34 0.94 -1.81 0.24 0.00 0.00 174.94 174.40 1pht s ASP 23 N -2.72 7.27 0.04 4.36 1.01 -1.26 -4.32 116.67 121.06 1pht s ASP 23 Ca 0.16 1.80 0.07 0.00 0.71 0.00 0.00 52.55 55.29 1pht s ASP 23 Cb -0.05 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1pht s ASP 23 CO 0.07 -0.10 -0.18 -0.76 0.21 0.00 0.00 175.17 174.40 1pht s LEU 24 N -2.20 2.60 0.02 1.23 1.43 0.06 -4.94 118.68 116.89 1pht s LEU 24 Ca 0.51 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1pht s LEU 24 Cb -0.17 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1pht s LEU 24 CO 0.22 0.25 -0.11 -1.00 0.23 0.00 0.00 176.35 175.95 1pht s HIS 25 N -0.93 0.94 0.01 0.29 3.76 -1.26 -1.14 115.29 116.96 1pht s HIS 25 Ca 0.15 -0.30 -0.36 0.00 -0.15 0.00 0.00 55.06 54.39 1pht s HIS 25 Cb -0.10 -0.57 -0.15 0.00 1.11 0.00 0.00 32.58 32.86 1pht s HIS 25 CO 0.05 -0.00 1.56 -0.11 -0.85 0.00 0.00 174.74 175.39 1pht n LEU 26 N 2.18 2.45 0.00 0.89 7.94 -1.26 -1.19 117.00 128.00 1pht n LEU 26 Ca -0.17 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1pht n LEU 26 Cb 0.56 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1pht n LEU 26 CO 0.23 -0.58 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 1pht n GLY 27 N 3.36 2.39 3.74 -3.96 0.00 -0.37 -4.99 105.19 105.36 1pht n GLY 27 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1pht n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pht n ASP 28 N 0.00 3.37 -4.64 1.61 8.00 -0.33 -4.67 116.55 119.89 1pht n ASP 28 Ca 0.00 1.20 -0.35 0.00 0.71 0.00 0.00 54.79 56.36 1pht n ASP 28 Cb 0.00 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.45 1pht n ASP 28 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pht s ILE 29 N -0.86 4.69 0.04 0.53 -1.09 -1.26 -1.17 121.20 122.08 1pht s ILE 29 Ca 0.57 -0.08 0.09 0.00 -2.23 0.00 0.00 60.65 59.00 1pht s ILE 29 Cb -0.52 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1pht s ILE 29 CO 0.60 0.49 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.79 1pht s LEU 30 N 0.12 2.15 -0.13 2.97 2.01 0.14 -0.11 118.68 125.84 1pht s LEU 30 Ca 0.04 -0.56 0.02 0.00 0.01 0.00 0.00 54.13 53.64 1pht s LEU 30 Cb -0.12 -1.21 0.02 0.00 0.01 0.00 0.00 46.19 44.88 1pht s LEU 30 CO 0.01 0.24 -0.17 -0.89 1.01 0.00 0.00 176.35 176.55 1pht s THR 31 N -0.78 1.67 -0.16 5.49 2.01 -0.49 -1.14 115.64 122.24 1pht s THR 31 Ca 0.10 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1pht s THR 31 Cb -0.10 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1pht s THR 31 CO 0.02 0.47 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 1pht s VAL 32 N 1.05 3.88 0.22 3.82 1.01 0.48 -0.93 120.40 129.94 1pht s VAL 32 Ca -0.04 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1pht s VAL 32 Cb -0.15 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 1pht s VAL 32 CO -0.04 0.48 1.23 0.54 0.00 0.00 0.00 175.10 177.31 1pht s ASN 33 N 0.49 7.02 0.28 3.32 4.22 -1.26 -0.54 114.94 128.47 1pht s ASN 33 Ca -0.03 2.35 0.01 0.00 -2.14 0.00 0.00 52.86 53.05 1pht s ASN 33 Cb -0.14 -2.62 0.58 0.00 1.28 0.00 0.00 41.25 40.35 1pht s ASN 33 CO 0.03 -0.40 1.81 0.50 -2.04 0.00 0.00 177.10 177.00 1pht h LYS 34 N 4.79 0.85 -0.85 3.55 3.64 -1.91 -2.42 116.57 124.22 1pht h LYS 34 Ca -0.46 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.05 1pht h LYS 34 Cb 1.22 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.74 1pht h LYS 34 CO 0.73 0.56 0.40 0.78 -2.27 0.00 0.00 179.45 179.65 1pht h GLY 35 N 0.88 1.40 1.95 5.01 0.00 -1.91 0.46 103.07 110.85 1pht h GLY 35 Ca 0.50 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1pht h GLY 35 CO -0.30 -0.14 -0.16 1.48 0.00 0.00 0.00 176.54 177.42 1pht h SER 36 N 0.51 0.06 0.33 0.19 4.64 -1.83 -0.69 113.55 116.75 1pht h SER 36 Ca 0.49 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 61.47 1pht h SER 36 Cb 0.81 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1pht h SER 36 CO -0.44 0.23 -1.52 -0.07 -0.87 0.00 0.00 176.83 174.16 1pht h LEU 37 N 0.06 0.67 -1.02 5.97 4.07 -1.06 -3.23 115.31 120.77 1pht h LEU 37 Ca 0.01 -0.80 -0.01 0.00 0.08 0.00 0.00 57.88 57.16 1pht h LEU 37 Cb 0.32 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1pht h LEU 37 CO 0.02 1.64 0.47 0.58 -1.08 0.00 0.00 178.44 180.07 1pht h VAL 38 N 0.12 1.24 0.00 1.22 2.07 -0.68 -1.20 116.25 119.02 1pht h VAL 38 Ca -0.26 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1pht h VAL 38 Cb 2.11 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1pht h VAL 38 CO 0.23 0.26 -0.10 0.00 0.02 0.00 0.00 177.57 177.99 1pht h ALA 39 N 1.36 1.21 -0.50 1.67 0.00 -1.22 -1.06 119.26 120.72 1pht h ALA 39 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pht h ALA 39 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pht h ALA 39 CO -0.05 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1pht n LEU 40 N -3.51 2.72 -0.39 0.00 4.77 -0.55 -4.91 117.00 115.13 1pht n LEU 40 Ca -0.02 -1.36 -0.05 0.00 -0.03 0.00 0.00 56.01 54.55 1pht n LEU 40 Cb 0.24 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1pht n LEU 40 CO 0.29 0.66 -0.05 0.61 -1.33 0.00 0.00 177.39 177.57 1pht n GLY 41 N 1.27 0.72 3.58 -0.72 0.00 -0.40 -4.92 105.19 104.72 1pht n GLY 41 Ca 0.17 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1pht n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pht s PHE 42 N -1.98 2.54 0.00 1.61 0.08 -0.64 -4.92 117.98 114.67 1pht s PHE 42 Ca 0.00 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 56.04 1pht s PHE 42 Cb 0.00 -4.54 0.00 0.00 -0.57 0.00 0.00 43.02 37.91 1pht s PHE 42 CO 0.00 -1.64 0.00 0.43 -0.10 0.00 0.00 175.22 173.91 1pht n SER 43 N 10.15 0.00 0.00 1.36 7.64 -1.26 -4.52 113.62 126.98 1pht n SER 43 Ca 0.48 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1pht n SER 43 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1pht n SER 43 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pht n ASP 44 N -0.83 0.00 -2.75 6.43 8.00 -1.26 -3.53 116.55 122.61 1pht n ASP 44 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1pht n ASP 44 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1pht n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pht n GLY 45 N 0.00 1.73 0.17 0.44 0.00 -1.26 -4.91 105.19 101.37 1pht n GLY 45 Ca 0.00 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.32 1pht n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pht h GLN 46 N 2.29 0.00 0.00 1.61 7.50 -1.88 -2.59 115.11 122.05 1pht h GLN 46 Ca -0.21 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.94 1pht h GLN 46 Cb 1.26 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.79 1pht h GLN 46 CO 0.15 0.00 -0.01 1.05 -1.50 0.00 0.00 178.83 178.52 1pht h GLU 47 N 0.00 0.00 -0.00 1.46 9.09 -1.91 0.19 114.58 123.41 1pht h GLU 47 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pht h GLU 47 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1pht h GLU 47 CO 0.00 0.01 0.00 0.00 0.05 0.00 0.00 179.01 179.07 1pht n ALA 48 N -2.27 2.66 -3.24 1.06 0.00 -0.98 -4.00 120.51 113.74 1pht n ALA 48 Ca -0.03 -0.22 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1pht n ALA 48 Cb 0.09 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 1pht n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pht n ARG 49 N -0.83 1.02 0.18 0.00 1.74 0.06 -4.74 116.66 114.07 1pht n ARG 49 Ca 0.22 -3.48 0.11 0.00 -0.77 0.00 0.00 57.85 53.93 1pht n ARG 49 Cb 0.13 -1.41 0.64 0.00 -1.02 0.00 0.00 32.46 30.80 1pht n ARG 49 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pht h PRO 50 N 4.07 0.03 -0.67 5.56 0.13 -1.70 -1.28 132.00 138.14 1pht h PRO 50 Ca 0.10 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1pht h PRO 50 Cb 0.84 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 1pht h PRO 50 CO 0.53 0.02 0.37 1.05 -0.23 0.00 0.00 178.00 179.74 1pht h GLU 51 N 0.03 0.92 -0.06 0.86 9.09 -1.82 -1.54 114.58 122.06 1pht h GLU 51 Ca 0.08 -0.09 -0.16 0.00 0.05 0.00 0.00 59.36 59.24 1pht h GLU 51 Cb 0.28 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1pht h GLU 51 CO -0.00 0.67 -0.66 1.49 0.05 0.00 0.00 179.01 180.56 1pht h GLU 52 N 0.93 0.25 -0.27 1.06 4.81 -1.57 -3.16 114.58 116.63 1pht h GLU 52 Ca 0.24 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1pht h GLU 52 Cb 0.01 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1pht h GLU 52 CO -0.04 0.82 -0.41 0.82 -0.73 0.00 0.00 179.01 179.47 1pht h ILE 53 N 0.17 1.29 0.00 2.32 2.04 -0.98 -3.49 117.51 118.88 1pht h ILE 53 Ca -0.01 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1pht h ILE 53 Cb 1.19 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1pht h ILE 53 CO 0.10 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.37 1pht n GLY 54 N 0.04 0.91 3.55 5.37 0.00 -0.75 -4.91 105.19 109.40 1pht n GLY 54 Ca -0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1pht n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pht s TRP 55 N 0.00 3.06 0.21 1.61 0.52 -1.26 0.27 118.94 123.36 1pht s TRP 55 Ca 0.00 -0.14 0.09 0.00 0.02 0.00 0.00 56.10 56.07 1pht s TRP 55 Cb 0.00 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 1pht s TRP 55 CO 0.00 0.11 -0.07 -0.51 0.02 0.00 0.00 176.95 176.49 1pht s LEU 56 N 0.03 3.02 -0.10 2.99 1.43 -0.75 -4.94 118.68 120.36 1pht s LEU 56 Ca 0.01 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1pht s LEU 56 Cb -0.13 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1pht s LEU 56 CO 0.02 0.07 -0.19 0.21 0.23 0.00 0.00 176.35 176.69 1pht s ASN 57 N -3.15 2.68 0.07 2.29 3.84 -1.26 -1.13 114.94 118.27 1pht s ASN 57 Ca 0.27 -0.49 -0.03 0.00 0.21 0.00 0.00 52.86 52.82 1pht s ASN 57 Cb -0.08 -1.22 0.01 0.00 -0.55 0.00 0.00 41.25 39.41 1pht s ASN 57 CO 0.17 0.08 0.17 0.61 -2.79 0.00 0.00 177.10 175.34 1pht n GLY 58 N 3.89 1.64 3.40 1.21 0.00 -0.50 -4.56 105.19 110.27 1pht n GLY 58 Ca -0.20 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1pht n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pht s TYR 59 N -7.08 3.08 -0.68 1.61 5.04 -0.10 -1.02 117.35 118.20 1pht s TYR 59 Ca 0.03 -0.61 -0.27 0.00 -2.44 0.00 0.00 57.07 53.79 1pht s TYR 59 Cb -0.01 -2.22 0.01 0.00 0.35 0.00 0.00 41.96 40.09 1pht s TYR 59 CO 0.02 -0.43 1.47 1.21 -1.34 0.00 0.00 175.55 176.48 1pht s ASN 60 N 1.57 5.89 0.40 4.32 3.84 0.14 -1.39 114.94 129.71 1pht s ASN 60 Ca 0.06 -0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.13 1pht s ASN 60 Cb -0.15 -2.55 0.92 0.00 -0.55 0.00 0.00 41.25 38.92 1pht s ASN 60 CO 0.02 -1.99 1.94 -0.33 -2.79 0.00 0.00 177.10 173.96 1pht h GLU 61 N 11.66 0.53 0.00 0.43 4.39 -0.81 0.75 114.58 131.54 1pht h GLU 61 Ca -0.27 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.22 1pht h GLU 61 Cb 1.09 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1pht h GLU 61 CO 1.25 0.35 -0.82 1.15 -1.16 0.00 0.00 179.01 179.78 1pht h THR 62 N 0.55 1.56 0.00 1.13 2.02 -1.88 -3.36 112.91 112.93 1pht h THR 62 Ca 0.34 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.68 1pht h THR 62 Cb 0.56 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1pht h THR 62 CO -0.11 0.80 -0.73 0.35 0.37 0.00 0.00 175.52 176.20 1pht n THR 63 N -3.52 0.00 -1.03 3.16 -2.24 -0.98 -5.01 114.28 104.66 1pht n THR 63 Ca -0.00 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 1pht n THR 63 Cb 0.80 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.75 1pht n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pht n GLY 64 N 1.55 0.50 3.85 3.38 0.00 0.26 -5.04 105.19 109.69 1pht n GLY 64 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1pht n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pht s GLU 65 N -1.18 3.19 -0.02 1.61 0.41 -1.22 -4.88 118.70 116.61 1pht s GLU 65 Ca 0.00 -0.54 0.06 0.00 -0.41 0.00 0.00 54.97 54.08 1pht s GLU 65 Cb 0.00 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.42 1pht s GLU 65 CO 0.00 0.60 -0.19 1.03 -0.49 0.00 0.00 175.26 176.21 1pht s ARG 66 N -2.37 2.26 0.00 1.61 0.52 -1.26 0.26 118.95 119.96 1pht s ARG 66 Ca 0.31 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1pht s ARG 66 Cb -0.13 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1pht s ARG 66 CO 0.24 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.55 1pht n GLY 67 N 2.15 -1.69 3.80 -3.53 0.00 -0.19 -4.81 105.19 100.91 1pht n GLY 67 Ca -0.17 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1pht n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pht s ASP 68 N -2.85 7.20 -0.02 1.61 1.01 0.07 -1.41 116.67 122.29 1pht s ASP 68 Ca 0.00 1.44 -0.11 0.00 0.71 0.00 0.00 52.55 54.60 1pht s ASP 68 Cb 0.00 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.52 1pht s ASP 68 CO 0.00 0.22 0.23 0.72 0.21 0.00 0.00 175.17 176.55 1pht s PHE 69 N -1.17 -0.10 0.13 4.23 -0.12 -0.29 -1.33 117.98 119.33 1pht s PHE 69 Ca 0.33 0.16 -0.30 0.00 -0.05 0.00 0.00 56.93 57.07 1pht s PHE 69 Cb -0.21 0.03 -0.07 0.00 -0.63 0.00 0.00 43.02 42.15 1pht s PHE 69 CO 0.22 -0.31 1.22 -1.25 -0.05 0.00 0.00 175.22 175.05 1pht s PRO 70 N -1.14 4.45 0.54 1.99 0.04 -1.26 -1.81 135.00 137.81 1pht s PRO 70 Ca -0.12 1.86 0.34 0.00 0.04 0.00 0.00 61.00 63.12 1pht s PRO 70 Cb -0.06 -3.28 1.41 0.00 0.04 0.00 0.00 34.50 32.61 1pht s PRO 70 CO 0.03 -0.19 1.99 0.78 0.04 0.00 0.00 177.00 179.65 1pht h GLY 71 N 5.99 0.00 1.82 0.56 0.00 -0.37 -2.43 103.07 108.65 1pht h GLY 71 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1pht h GLY 71 CO 0.78 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.02 1pht n THR 72 N -3.03 0.10 0.96 4.70 -2.24 -1.26 -2.60 114.28 110.90 1pht n THR 72 Ca 0.00 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1pht n THR 72 Cb 0.29 -0.55 0.11 0.00 -2.10 0.00 0.00 70.33 68.07 1pht n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pht n TYR 73 N -1.41 0.03 -4.35 4.78 4.02 -0.91 -4.99 117.16 114.32 1pht n TYR 73 Ca 0.09 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.90 57.79 1pht n TYR 73 Cb 0.28 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.50 1pht n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1pht s VAL 74 N -1.96 0.80 0.02 -0.72 -7.23 -1.23 -0.56 120.40 109.53 1pht s VAL 74 Ca 0.28 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.51 1pht s VAL 74 Cb 0.20 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1pht s VAL 74 CO 0.30 -0.07 -0.18 -1.83 -0.31 0.00 0.00 175.10 173.01 1pht s GLU 75 N -3.97 1.31 -0.10 4.82 -1.05 -0.06 -4.83 118.70 114.83 1pht s GLU 75 Ca 0.35 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 1pht s GLU 75 Cb 0.08 -1.34 -0.02 0.00 -0.44 0.00 0.00 34.13 32.40 1pht s GLU 75 CO 0.13 0.35 1.21 -0.47 0.95 0.00 0.00 175.26 177.43 1pht s TYR 76 N -0.66 3.09 -1.34 4.83 5.04 -1.26 -0.15 117.35 126.90 1pht s TYR 76 Ca 0.06 1.16 0.12 0.00 -2.44 0.00 0.00 57.07 55.98 1pht s TYR 76 Cb -0.08 -3.44 0.05 0.00 0.35 0.00 0.00 41.96 38.84 1pht s TYR 76 CO 0.01 -1.39 0.80 0.44 -1.34 0.00 0.00 175.55 174.07 1pht n ILE 77 N 4.90 0.00 0.00 3.14 -5.35 -0.03 -4.94 119.36 117.08 1pht n ILE 77 Ca 0.12 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1pht n ILE 77 Cb 0.46 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 1pht n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pht n GLY 78 N 0.86 0.77 3.87 3.28 0.00 -1.20 -4.97 105.19 107.80 1pht n GLY 78 Ca 0.06 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 1pht n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pht s ARG 79 N -0.89 3.82 -0.03 1.61 0.52 -1.26 -0.14 118.95 122.58 1pht s ARG 79 Ca 0.00 0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 1pht s ARG 79 Cb 0.00 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.96 1pht s ARG 79 CO 0.00 0.19 0.01 0.21 0.02 0.00 0.00 175.30 175.72 1pht s LYS 80 N -3.19 0.30 -0.16 3.54 2.20 -0.33 -4.90 119.74 117.20 1pht s LYS 80 Ca 0.49 0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.94 1pht s LYS 80 Cb -0.11 -0.53 -0.01 0.00 -1.51 0.00 0.00 37.83 35.67 1pht s LYS 80 CO 0.24 -0.17 0.88 0.15 -0.36 0.00 0.00 175.35 176.09 1pht s LYS 81 N 1.20 4.32 0.06 4.03 -0.14 -1.26 -0.44 119.74 127.51 1pht s LYS 81 Ca -0.07 1.12 -0.23 0.00 -1.36 0.00 0.00 55.97 55.42 1pht s LYS 81 Cb -0.13 -3.57 -0.06 0.00 -1.68 0.00 0.00 37.83 32.38 1pht s LYS 81 CO -0.02 -0.35 0.70 0.42 -0.76 0.00 0.00 175.35 175.34 1pht s ILE 82 N 2.21 4.69 0.09 2.17 -1.09 0.11 -4.96 121.20 124.42 1pht s ILE 82 Ca 0.41 1.49 0.06 0.00 -2.23 0.00 0.00 60.65 60.38 1pht s ILE 82 Cb -0.17 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 1pht s ILE 82 CO 0.13 0.44 -0.15 -0.55 -1.23 0.00 0.00 174.94 173.58 1pht s SER 83 N -0.49 1.86 0.88 3.58 0.15 -1.26 -3.95 113.70 114.47 1pht s SER 83 Ca 0.35 -0.67 -0.10 0.00 0.70 0.00 0.00 55.95 56.22 1pht s SER 83 Cb -0.20 -0.06 0.12 0.00 -1.71 0.00 0.00 66.02 64.17 1pht s SER 83 CO 0.22 -0.08 1.13 -2.84 1.20 0.00 0.00 173.24 172.87 1pht s PRO 84 N -1.99 1.33 0.00 5.44 0.02 -1.26 -5.15 135.00 133.39 1pht s PRO 84 Ca 0.02 1.44 0.30 0.00 0.02 0.00 0.00 61.00 62.77 1pht s PRO 84 Cb -0.09 -1.77 1.78 0.00 0.02 0.00 0.00 34.50 34.44 1pht s PRO 84 CO 0.03 -2.38 2.11 -2.30 -0.33 0.00 0.00 177.00 174.13