#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptl s ASN 2 N 0.00 1.32 -0.84 1.62 0.01 -1.26 -5.06 114.94 110.73 2ptl s ASN 2 Ca 0.00 0.01 -0.30 0.00 -0.71 0.00 0.00 52.86 51.86 2ptl s ASN 2 Cb 0.00 -0.26 -0.18 0.00 0.41 0.00 0.00 41.25 41.22 2ptl s ASN 2 CO 0.00 -0.23 2.60 2.29 -1.51 0.00 0.00 177.10 180.25 2ptl n LYS 3 N 5.24 0.30 0.22 -0.60 2.85 -1.26 -4.67 118.16 120.24 2ptl n LYS 3 Ca -0.05 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.35 2ptl n LYS 3 Cb 0.50 -2.04 0.49 0.00 -0.65 0.00 0.00 35.03 33.33 2ptl n LYS 3 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2ptl h GLU 4 N 13.97 0.00 0.00 -1.58 -0.00 -2.08 -3.46 114.58 121.44 2ptl h GLU 4 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2ptl h GLU 4 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 2ptl h GLU 4 CO 1.31 0.00 0.00 -1.91 -0.00 0.00 0.00 179.01 178.41 2ptl n GLU 5 N -2.94 0.00 0.09 1.06 4.07 -1.26 -4.94 120.64 116.72 2ptl n GLU 5 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2ptl n GLU 5 Cb 0.78 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.16 2ptl n GLU 5 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2ptl n THR 6 N 0.00 0.00 -0.24 6.31 5.66 -1.26 -4.97 114.28 119.79 2ptl n THR 6 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2ptl n THR 6 Cb 0.00 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 68.94 2ptl n THR 6 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2ptl h PRO 7 N 0.00 0.39 0.00 1.09 0.11 -1.97 -3.40 132.00 128.22 2ptl h PRO 7 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2ptl h PRO 7 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2ptl h PRO 7 CO 0.00 0.26 0.00 -1.91 -0.21 0.00 0.00 178.00 176.14 2ptl n GLU 8 N -5.02 2.81 -0.68 1.05 2.13 -1.26 -4.35 120.64 115.32 2ptl n GLU 8 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2ptl n GLU 8 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.08 2ptl n GLU 8 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2ptl n THR 9 N 0.00 -3.61 -1.70 6.31 -1.04 -1.26 -4.55 114.28 108.43 2ptl n THR 9 Ca 0.00 0.65 -0.23 0.00 -2.04 0.00 0.00 64.05 62.43 2ptl n THR 9 Cb 0.00 -2.34 -0.05 0.00 -1.82 0.00 0.00 70.33 66.12 2ptl n THR 9 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ptl s PRO 10 N -2.87 1.98 0.00 -2.82 0.04 -1.26 -3.90 135.00 126.16 2ptl s PRO 10 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2ptl s PRO 10 Cb 0.00 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2ptl s PRO 10 CO 0.00 -3.86 0.00 -1.91 0.04 0.00 0.00 177.00 171.27 2ptl n GLU 11 N 8.90 0.00 -0.98 4.56 2.13 -1.26 -4.94 120.64 129.05 2ptl n GLU 11 Ca 0.41 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.13 2ptl n GLU 11 Cb 0.47 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.40 2ptl n GLU 11 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2ptl n THR 12 N 0.00 2.86 -3.04 6.31 -1.04 -1.25 -4.77 114.28 113.35 2ptl n THR 12 Ca 0.00 -2.12 0.02 0.00 -2.04 0.00 0.00 64.05 59.91 2ptl n THR 12 Cb 0.00 -0.38 -0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2ptl n THR 12 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ptl s ASP 13 N -1.69 -1.02 0.02 8.00 2.15 -1.25 -4.98 116.67 117.90 2ptl s ASP 13 Ca 0.51 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2ptl s ASP 13 Cb 0.44 1.35 0.00 0.00 -0.30 0.00 0.00 42.92 44.40 2ptl s ASP 13 CO 0.08 -0.12 0.00 -1.54 -0.17 0.00 0.00 175.17 173.41 2ptl n SER 14 N 4.28 -0.15 0.00 -0.34 3.41 -1.26 -4.58 113.62 114.96 2ptl n SER 14 Ca 0.08 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2ptl n SER 14 Cb 0.59 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 2ptl n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ptl n GLU 15 N -2.54 0.00 -2.74 4.33 -0.58 -1.26 -5.09 120.64 112.75 2ptl n GLU 15 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2ptl n GLU 15 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2ptl n GLU 15 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2ptl s GLU 16 N 0.00 3.47 0.03 3.49 8.01 -1.26 -4.63 118.70 127.81 2ptl s GLU 16 Ca 0.00 -1.20 0.00 0.00 0.01 0.00 0.00 54.97 53.78 2ptl s GLU 16 Cb 0.00 -4.88 0.00 0.00 -4.31 0.00 0.00 34.13 24.94 2ptl s GLU 16 CO 0.00 -1.98 0.00 -1.91 0.01 0.00 0.00 175.26 171.38 2ptl n GLU 17 N 7.92 0.00 -3.48 1.61 2.13 -1.26 -5.04 120.64 122.52 2ptl n GLU 17 Ca 0.20 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.75 2ptl n GLU 17 Cb 0.49 -0.01 -0.11 0.00 0.27 0.00 0.00 31.44 32.08 2ptl n GLU 17 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ptl s VAL 18 N -1.13 0.66 -0.39 6.31 1.01 -1.26 -5.05 120.40 120.56 2ptl s VAL 18 Ca 0.00 -2.65 -0.15 0.00 0.00 0.00 0.00 61.98 59.19 2ptl s VAL 18 Cb 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2ptl s VAL 18 CO 0.00 -1.14 0.30 -0.89 0.00 0.00 0.00 175.10 173.37 2ptl s THR 19 N 0.10 5.25 0.25 3.92 2.01 -1.26 -0.55 115.64 125.36 2ptl s THR 19 Ca 0.28 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 2ptl s THR 19 Cb -0.04 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 2ptl s THR 19 CO -0.14 -0.22 0.54 -0.51 -0.69 0.00 0.00 174.62 173.60 2ptl s ILE 20 N 1.75 4.99 -0.14 1.82 2.07 -0.95 -4.96 121.20 125.79 2ptl s ILE 20 Ca 0.06 0.26 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 2ptl s ILE 20 Cb -0.18 -3.67 0.04 0.00 0.13 0.00 0.00 42.46 38.77 2ptl s ILE 20 CO 0.11 -0.18 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.16 2ptl s LYS 21 N -3.15 1.25 -0.43 3.50 2.36 -1.24 -1.71 119.74 120.31 2ptl s LYS 21 Ca 0.45 -0.32 -0.10 0.00 -2.55 0.00 0.00 55.97 53.45 2ptl s LYS 21 Cb -0.11 -1.72 0.08 0.00 -1.05 0.00 0.00 37.83 35.04 2ptl s LYS 21 CO 0.26 -0.38 0.28 0.00 1.55 0.00 0.00 175.35 177.06 2ptl s ALA 22 N 1.74 3.33 1.00 3.13 0.00 -1.18 -2.89 121.76 126.89 2ptl s ALA 22 Ca 0.03 -2.20 -0.04 0.00 0.00 0.00 0.00 51.96 49.75 2ptl s ALA 22 Cb -0.14 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.31 2ptl s ALA 22 CO -0.07 -1.69 0.29 0.09 0.00 0.00 0.00 175.76 174.38 2ptl n ASN 23 N 4.94 -0.04 -2.75 0.00 4.13 -1.02 0.23 115.26 120.76 2ptl n ASN 23 Ca -0.10 -1.08 -0.05 0.00 1.68 0.00 0.00 54.58 55.03 2ptl n ASN 23 Cb 0.43 -0.23 0.02 0.00 -1.54 0.00 0.00 39.78 38.46 2ptl n ASN 23 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2ptl n LEU 24 N 0.00 -3.22 -4.79 3.41 4.77 0.29 -3.90 117.00 113.55 2ptl n LEU 24 Ca 0.04 -2.86 -0.38 0.00 -0.03 0.00 0.00 56.01 52.78 2ptl n LEU 24 Cb 0.13 0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 41.92 2ptl n LEU 24 CO 0.09 1.90 0.23 -0.63 -1.33 0.00 0.00 177.39 177.65 2ptl s ILE 25 N 0.84 4.90 0.26 -0.08 1.01 -0.78 -1.30 121.20 126.04 2ptl s ILE 25 Ca 0.30 1.11 0.10 0.00 0.00 0.00 0.00 60.65 62.16 2ptl s ILE 25 Cb 0.05 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2ptl s ILE 25 CO -0.09 0.49 -0.17 -0.36 0.00 0.00 0.00 174.94 174.82 2ptl s PHE 26 N -0.63 2.08 -0.04 3.97 0.40 -1.26 -1.82 117.98 120.68 2ptl s PHE 26 Ca 0.28 -0.44 0.12 0.00 -0.60 0.00 0.00 56.93 56.29 2ptl s PHE 26 Cb -0.18 -0.95 -0.11 0.00 0.51 0.00 0.00 43.02 42.29 2ptl s PHE 26 CO 0.16 0.56 1.16 0.00 0.70 0.00 0.00 175.22 177.80 2ptl h ALA 27 N 2.36 0.57 0.00 5.36 0.00 -1.80 -3.28 119.26 122.48 2ptl h ALA 27 Ca -0.39 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2ptl h ALA 27 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ptl h ALA 27 CO 0.62 1.03 0.21 -2.95 0.00 0.00 0.00 179.25 178.17 2ptl h ASN 28 N 0.00 0.00 0.00 0.00 7.08 -1.96 -3.43 115.58 117.27 2ptl h ASN 28 Ca -0.08 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 2ptl h ASN 28 Cb 1.65 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.89 2ptl h ASN 28 CO 0.09 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.05 2ptl n GLY 29 N -1.22 1.18 2.64 9.14 0.00 -1.24 -5.04 105.19 110.65 2ptl n GLY 29 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2ptl n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ptl n SER 30 N 0.00 3.75 -4.79 1.61 7.64 -1.26 -5.04 113.62 115.53 2ptl n SER 30 Ca 0.00 -3.36 -0.36 0.00 1.01 0.00 0.00 58.87 56.16 2ptl n SER 30 Cb 0.00 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.38 2ptl n SER 30 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ptl s THR 31 N -2.14 4.10 -0.06 0.44 -4.23 -1.26 -4.05 115.64 108.44 2ptl s THR 31 Ca 0.34 1.60 -0.19 0.00 -1.18 0.00 0.00 61.69 62.27 2ptl s THR 31 Cb 0.07 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.13 2ptl s THR 31 CO -0.06 -0.00 0.43 -1.58 -0.54 0.00 0.00 174.62 172.87 2ptl s GLN 32 N -2.44 0.72 0.23 3.99 2.00 -0.42 -4.96 119.66 118.78 2ptl s GLN 32 Ca 0.55 0.11 0.10 0.00 -2.00 0.00 0.00 55.36 54.12 2ptl s GLN 32 Cb -0.17 0.33 -0.04 0.00 0.80 0.00 0.00 33.01 33.92 2ptl s GLN 32 CO 0.22 -0.19 -0.08 0.95 -0.50 0.00 0.00 175.29 175.69 2ptl s THR 33 N -0.91 3.13 0.45 -0.34 -4.23 -1.26 0.10 115.64 112.58 2ptl s THR 33 Ca -0.10 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2ptl s THR 33 Cb -0.04 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 2ptl s THR 33 CO 0.05 -0.26 0.03 0.00 -0.54 0.00 0.00 174.62 173.89 2ptl s ALA 34 N -2.08 3.47 -0.28 3.99 0.00 0.14 -4.86 121.76 122.14 2ptl s ALA 34 Ca 0.28 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 2ptl s ALA 34 Cb -0.07 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.37 2ptl s ALA 34 CO 0.17 -0.13 0.73 -1.83 0.00 0.00 0.00 175.76 174.71 2ptl s GLU 35 N -3.80 0.75 0.39 0.00 -1.05 -1.26 -3.09 118.70 110.63 2ptl s GLU 35 Ca 0.20 1.06 0.04 0.00 -0.15 0.00 0.00 54.97 56.12 2ptl s GLU 35 Cb 0.05 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 2ptl s GLU 35 CO 0.10 -0.12 0.12 -0.06 0.95 0.00 0.00 175.26 176.26 2ptl s PHE 36 N 0.93 1.80 0.17 4.83 0.40 -0.69 -4.96 117.98 120.44 2ptl s PHE 36 Ca -0.04 -1.24 -0.23 0.00 -0.60 0.00 0.00 56.93 54.82 2ptl s PHE 36 Cb -0.05 -1.16 0.06 0.00 0.51 0.00 0.00 43.02 42.38 2ptl s PHE 36 CO -0.09 -0.26 0.65 0.15 0.70 0.00 0.00 175.22 176.37 2ptl s LYS 37 N -3.75 1.33 0.00 0.44 1.02 -1.26 -2.24 119.74 115.28 2ptl s LYS 37 Ca 0.26 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.70 2ptl s LYS 37 Cb 0.04 0.57 0.00 0.00 -0.52 0.00 0.00 37.83 37.92 2ptl s LYS 37 CO 0.15 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 2ptl n GLY 38 N -0.39 1.00 3.00 -3.33 0.00 0.28 -4.93 105.19 100.84 2ptl n GLY 38 Ca -0.14 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 2ptl n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ptl n THR 39 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.28 114.28 117.00 2ptl n THR 39 Ca 0.00 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2ptl n THR 39 Cb 0.00 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 2ptl n THR 39 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2ptl n PHE 40 N -4.31 0.00 0.34 1.09 -0.00 -1.26 -4.77 117.46 108.55 2ptl n PHE 40 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.62 2ptl n PHE 40 Cb 0.34 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 39.95 2ptl n PHE 40 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2ptl h GLU 41 N 0.00 0.00 -0.11 -4.13 4.81 -1.96 -3.22 114.58 109.96 2ptl h GLU 41 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2ptl h GLU 41 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2ptl h GLU 41 CO 0.00 0.00 0.14 -0.22 -0.73 0.00 0.00 179.01 178.20 2ptl h LYS 42 N 0.00 0.00 0.00 1.92 1.63 -2.00 0.50 116.57 118.63 2ptl h LYS 42 Ca 0.00 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 2ptl h LYS 42 Cb 0.89 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 2ptl h LYS 42 CO 0.00 0.00 -1.20 0.00 -3.45 0.00 0.00 179.45 174.80 2ptl h ALA 43 N 1.82 0.54 -0.89 5.00 0.00 -1.85 -3.11 119.26 120.76 2ptl h ALA 43 Ca 0.05 -1.03 0.11 0.00 0.00 0.00 0.00 54.91 54.04 2ptl h ALA 43 Cb 0.34 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2ptl h ALA 43 CO -0.00 1.27 0.57 1.15 0.00 0.00 0.00 179.25 182.24 2ptl h THR 44 N 0.00 0.93 0.03 0.00 2.02 -0.08 0.39 112.91 116.20 2ptl h THR 44 Ca -0.11 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2ptl h THR 44 Cb 1.79 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2ptl h THR 44 CO 0.10 0.15 -0.01 0.28 0.37 0.00 0.00 175.52 176.41 2ptl h SER 45 N 0.83 -0.03 -0.23 4.18 0.02 -1.57 -1.02 113.55 115.73 2ptl h SER 45 Ca 0.42 -0.53 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2ptl h SER 45 Cb 0.50 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2ptl h SER 45 CO -0.19 0.71 0.43 -0.33 -1.14 0.00 0.00 176.83 176.31 2ptl h GLU 46 N -0.97 0.00 0.10 3.45 3.07 -1.42 0.38 114.58 119.19 2ptl h GLU 46 Ca -0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 2ptl h GLU 46 Cb 0.56 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2ptl h GLU 46 CO 0.01 0.00 -0.72 0.00 -1.40 0.00 0.00 179.01 176.89 2ptl h ALA 47 N 1.35 -0.02 -0.78 3.43 0.00 -0.17 -1.27 119.26 121.80 2ptl h ALA 47 Ca 0.11 -0.72 0.18 0.00 0.00 0.00 0.00 54.91 54.48 2ptl h ALA 47 Cb 0.97 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2ptl h ALA 47 CO -0.00 0.36 0.53 -0.92 0.00 0.00 0.00 179.25 179.22 2ptl h TYR 48 N -0.53 0.34 0.04 0.00 5.03 0.11 0.85 116.97 122.81 2ptl h TYR 48 Ca -0.14 0.01 -0.24 0.00 2.58 0.00 0.00 58.73 60.94 2ptl h TYR 48 Cb 1.50 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.65 2ptl h TYR 48 CO 0.20 0.11 -1.16 0.00 -1.32 0.00 0.00 178.16 175.99 2ptl h ALA 49 N 1.64 0.32 -0.53 1.82 0.00 -1.22 -2.77 119.26 118.51 2ptl h ALA 49 Ca 0.39 -0.97 0.10 0.00 0.00 0.00 0.00 54.91 54.42 2ptl h ALA 49 Cb 1.10 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2ptl h ALA 49 CO -0.10 1.20 0.10 -0.92 0.00 0.00 0.00 179.25 179.54 2ptl h TYR 50 N 0.02 0.16 0.00 0.00 5.03 0.19 0.60 116.97 122.98 2ptl h TYR 50 Ca -0.08 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.14 2ptl h TYR 50 Cb 1.86 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 40.13 2ptl h TYR 50 CO 0.02 -0.02 -0.59 0.00 -1.32 0.00 0.00 178.16 176.25 2ptl h ALA 51 N 1.42 0.94 0.00 1.82 0.00 -1.33 -2.64 119.26 119.47 2ptl h ALA 51 Ca 0.27 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ptl h ALA 51 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ptl h ALA 51 CO -0.36 0.73 0.00 -3.47 0.00 0.00 0.00 179.25 176.15 2ptl n ASP 52 N -3.71 0.03 0.14 0.00 -0.08 0.61 -2.83 116.55 110.71 2ptl n ASP 52 Ca -0.01 0.50 0.02 0.00 -1.51 0.00 0.00 54.79 53.79 2ptl n ASP 52 Cb 0.61 -0.51 0.12 0.00 2.34 0.00 0.00 41.12 43.68 2ptl n ASP 52 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2ptl h THR 53 N 0.00 1.06 0.29 5.18 2.02 0.42 -3.23 112.91 118.65 2ptl h THR 53 Ca 0.00 -2.18 -0.01 0.00 0.77 0.00 0.00 66.41 64.99 2ptl h THR 53 Cb 0.45 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2ptl h THR 53 CO 0.00 0.54 -0.14 -0.07 0.37 0.00 0.00 175.52 176.22 2ptl h LEU 54 N 0.00 -0.33 -0.86 2.58 -0.00 -1.63 -3.44 115.31 111.62 2ptl h LEU 54 Ca -0.01 0.01 -0.25 0.00 -0.00 0.00 0.00 57.88 57.63 2ptl h LEU 54 Cb 1.26 0.09 -0.15 0.00 -0.00 0.00 0.00 40.66 41.85 2ptl h LEU 54 CO 0.07 -0.23 -0.36 2.29 -0.00 0.00 0.00 178.44 180.21 2ptl n LYS 55 N -5.26 -0.96 -0.23 1.13 2.85 -1.22 -4.66 118.16 109.80 2ptl n LYS 55 Ca -0.10 0.06 -0.03 0.00 -1.05 0.00 0.00 58.31 57.19 2ptl n LYS 55 Cb 0.18 -2.05 0.02 0.00 -0.65 0.00 0.00 35.03 32.53 2ptl n LYS 55 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ptl n LYS 56 N -1.96 1.15 -2.97 -1.58 4.81 -1.26 -4.73 118.16 111.61 2ptl n LYS 56 Ca 0.05 -0.34 -0.15 0.00 -0.87 0.00 0.00 58.31 56.99 2ptl n LYS 56 Cb 0.20 -1.13 0.04 0.00 0.02 0.00 0.00 35.03 34.15 2ptl n LYS 56 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ptl n ASP 57 N 0.50 -4.68 0.11 3.14 2.03 -1.26 -4.90 116.55 111.49 2ptl n ASP 57 Ca 0.07 -0.27 0.12 0.00 0.52 0.00 0.00 54.79 55.23 2ptl n ASP 57 Cb 0.61 -3.41 0.13 0.00 -0.72 0.00 0.00 41.12 37.73 2ptl n ASP 57 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2ptl h ASN 58 N -1.32 0.00 0.00 1.67 2.35 -1.95 -3.47 115.58 112.86 2ptl h ASN 58 Ca -0.36 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2ptl h ASN 58 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2ptl h ASN 58 CO 0.36 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.79 2ptl n GLY 59 N 1.23 0.97 0.71 2.83 0.00 -1.26 -2.45 105.19 107.22 2ptl n GLY 59 Ca 0.02 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2ptl n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ptl n GLU 60 N -2.05 -1.44 -2.67 1.61 1.02 -1.26 -4.60 120.64 111.25 2ptl n GLU 60 Ca 0.00 0.97 -0.07 0.00 -0.02 0.00 0.00 57.16 58.05 2ptl n GLU 60 Cb 0.00 -1.75 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 2ptl n GLU 60 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2ptl n TYR 61 N -2.73 -0.62 -5.14 -0.32 0.18 -1.26 -2.04 117.16 105.23 2ptl n TYR 61 Ca 0.00 -1.01 -0.30 0.00 1.88 0.00 0.00 57.90 58.47 2ptl n TYR 61 Cb 0.32 0.18 -0.17 0.00 -0.38 0.00 0.00 39.34 39.29 2ptl n TYR 61 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2ptl s THR 62 N -2.56 1.90 -0.33 -3.48 2.01 -0.49 -4.88 115.64 107.81 2ptl s THR 62 Ca 0.13 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 2ptl s THR 62 Cb 0.00 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.89 2ptl s THR 62 CO 0.09 0.53 1.09 -0.69 -0.69 0.00 0.00 174.62 174.96 2ptl s VAL 63 N 0.12 4.47 0.16 3.82 1.01 -1.26 -2.58 120.40 126.14 2ptl s VAL 63 Ca -0.11 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 2ptl s VAL 63 Cb -0.15 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 2ptl s VAL 63 CO 0.06 -0.51 0.87 -1.81 0.00 0.00 0.00 175.10 173.71 2ptl s ASP 64 N 1.76 7.48 -0.32 3.32 1.01 -0.67 -4.92 116.67 124.33 2ptl s ASP 64 Ca 0.46 1.75 -0.15 0.00 0.71 0.00 0.00 52.55 55.32 2ptl s ASP 64 Cb -0.12 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 2ptl s ASP 64 CO 0.17 0.10 0.36 -0.69 0.21 0.00 0.00 175.17 175.32 2ptl s VAL 65 N -0.74 5.17 0.22 -1.27 1.01 -1.26 -2.90 120.40 120.63 2ptl s VAL 65 Ca 0.40 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 2ptl s VAL 65 Cb -0.24 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 2ptl s VAL 65 CO 0.28 -0.01 0.42 0.00 0.00 0.00 0.00 175.10 175.79 2ptl s ALA 66 N 2.03 -0.16 -1.55 5.51 0.00 -1.26 -4.77 121.76 121.57 2ptl s ALA 66 Ca 0.12 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 2ptl s ALA 66 Cb -0.16 1.03 0.08 0.00 0.00 0.00 0.00 23.12 24.07 2ptl s ALA 66 CO 0.11 -0.79 0.74 -3.47 0.00 0.00 0.00 175.76 172.35 2ptl n ASP 67 N -0.34 -2.74 -2.85 0.00 2.03 -1.26 -1.28 116.55 110.11 2ptl n ASP 67 Ca -0.03 -0.93 -0.06 0.00 0.52 0.00 0.00 54.79 54.28 2ptl n ASP 67 Cb 0.62 -3.25 0.03 0.00 -0.72 0.00 0.00 41.12 37.80 2ptl n ASP 67 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2ptl n LYS 68 N -4.46 -1.46 -2.45 -0.67 4.81 -1.26 -2.33 118.16 110.34 2ptl n LYS 68 Ca -0.07 1.01 -0.01 0.00 -0.87 0.00 0.00 58.31 58.37 2ptl n LYS 68 Cb 0.57 -5.00 -0.00 0.00 0.02 0.00 0.00 35.03 30.62 2ptl n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ptl n GLY 69 N -1.45 -0.48 0.56 3.14 0.00 -0.94 -4.68 105.19 101.33 2ptl n GLY 69 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2ptl n GLY 69 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ptl n TYR 70 N -2.54 0.00 -1.95 1.61 9.36 -0.40 -4.72 117.16 118.52 2ptl n TYR 70 Ca -0.01 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.80 2ptl n TYR 70 Cb 0.50 -0.42 -0.00 0.00 -0.63 0.00 0.00 39.34 38.79 2ptl n TYR 70 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2ptl n THR 71 N -3.77 4.51 -1.84 2.97 -1.04 -0.66 -3.72 114.28 110.72 2ptl n THR 71 Ca -0.20 -3.85 -0.43 0.00 -2.04 0.00 0.00 64.05 57.53 2ptl n THR 71 Cb 0.54 -2.35 -0.03 0.00 -1.82 0.00 0.00 70.33 66.68 2ptl n THR 71 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ptl s LEU 72 N -0.40 3.86 -0.25 -4.42 2.34 -1.14 -4.13 118.68 114.54 2ptl s LEU 72 Ca 0.51 1.94 -0.19 0.00 0.06 0.00 0.00 54.13 56.44 2ptl s LEU 72 Cb 0.15 -3.52 -0.02 0.00 -0.56 0.00 0.00 46.19 42.23 2ptl s LEU 72 CO -0.05 -1.46 0.59 0.20 -1.06 0.00 0.00 176.35 174.57 2ptl s ASN 73 N 5.66 6.54 0.32 1.48 0.02 -1.14 -2.42 114.94 125.39 2ptl s ASN 73 Ca 0.85 0.66 -0.26 0.00 -1.02 0.00 0.00 52.86 53.09 2ptl s ASN 73 Cb -0.32 -2.32 -0.10 0.00 0.02 0.00 0.00 41.25 38.54 2ptl s ASN 73 CO 0.34 -0.33 0.95 -0.63 0.02 0.00 0.00 177.10 177.46 2ptl s ILE 74 N 2.35 4.16 -0.27 0.60 -1.09 -1.25 -1.67 121.20 124.03 2ptl s ILE 74 Ca 0.25 1.81 -0.00 0.00 -2.23 0.00 0.00 60.65 60.48 2ptl s ILE 74 Cb -0.16 -4.02 0.08 0.00 -1.58 0.00 0.00 42.46 36.79 2ptl s ILE 74 CO 0.09 0.17 0.04 -0.75 -1.23 0.00 0.00 174.94 173.25 2ptl s LYS 75 N -2.00 1.04 0.40 2.79 2.47 -1.07 -1.88 119.74 121.50 2ptl s LYS 75 Ca 0.50 -1.05 -0.18 0.00 -1.56 0.00 0.00 55.97 53.67 2ptl s LYS 75 Cb -0.20 -2.33 -0.10 0.00 -1.46 0.00 0.00 37.83 33.74 2ptl s LYS 75 CO 0.25 -0.82 0.87 -0.06 0.16 0.00 0.00 175.35 175.75 2ptl s PHE 76 N 1.50 3.34 0.00 4.03 0.40 -0.76 -1.40 117.98 125.09 2ptl s PHE 76 Ca 0.04 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 2ptl s PHE 76 Cb -0.18 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.62 2ptl s PHE 76 CO -0.15 -0.05 0.33 0.00 0.70 0.00 0.00 175.22 176.05 2ptl n ALA 77 N -0.59 0.00 0.00 5.36 0.00 -0.87 -4.47 120.51 119.94 2ptl n ALA 77 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2ptl n ALA 77 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2ptl n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91