#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 2.46 -0.14 1.62 -0.87 -1.26 -5.13 114.94 111.63 2ptl s ASN 2 Ca 0.00 -0.63 -0.11 0.00 -1.57 0.00 0.00 52.86 50.55 2ptl s ASN 2 Cb 0.00 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.25 41.03 2ptl s ASN 2 CO 0.00 0.08 0.22 -0.54 -2.57 0.00 0.00 177.10 174.29 2ptl s LYS 3 N -1.68 3.97 -0.57 -0.60 1.02 -1.26 -5.00 119.74 115.63 2ptl s LYS 3 Ca 0.06 -0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2ptl s LYS 3 Cb -0.10 -3.33 0.39 0.00 -0.52 0.00 0.00 37.83 34.27 2ptl s LYS 3 CO 0.03 0.46 1.26 -1.91 -0.92 0.00 0.00 175.35 174.28 2ptl n GLU 4 N 2.90 3.40 -1.19 1.68 4.07 -1.26 -5.06 120.64 125.18 2ptl n GLU 4 Ca -0.15 -4.44 -0.34 0.00 -0.06 0.00 0.00 57.16 52.17 2ptl n GLU 4 Cb 0.53 -2.26 0.12 0.00 -0.06 0.00 0.00 31.44 29.77 2ptl n GLU 4 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2ptl n GLU 5 N -0.42 0.31 -4.25 5.31 0.28 -1.26 -4.99 120.64 115.62 2ptl n GLU 5 Ca 0.40 0.18 -0.35 0.00 -0.16 0.00 0.00 57.16 57.23 2ptl n GLU 5 Cb 0.51 -2.46 -0.09 0.00 1.43 0.00 0.00 31.44 30.83 2ptl n GLU 5 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2ptl s THR 6 N -2.02 4.52 0.24 3.84 2.01 -1.26 -5.00 115.64 117.97 2ptl s THR 6 Ca 0.75 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.53 2ptl s THR 6 Cb -0.30 -2.94 0.22 0.00 0.01 0.00 0.00 72.50 69.49 2ptl s THR 6 CO 0.49 0.57 1.89 -0.65 -0.69 0.00 0.00 174.62 176.23 2ptl h PRO 7 N 5.54 1.10 0.00 4.92 0.10 -2.05 -3.45 132.00 138.15 2ptl h PRO 7 Ca -0.47 -0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.56 2ptl h PRO 7 Cb 1.19 -0.25 0.00 0.00 0.10 0.00 0.00 31.00 32.05 2ptl h PRO 7 CO 0.58 0.73 0.00 0.39 0.10 0.00 0.00 178.00 179.80 2ptl n GLU 8 N -4.52 0.00 -4.46 1.05 4.71 -1.26 -4.63 120.64 111.54 2ptl n GLU 8 Ca 0.12 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.93 2ptl n GLU 8 Cb 0.09 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 30.40 2ptl n GLU 8 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2ptl s THR 9 N 0.00 3.82 1.24 2.62 2.01 -1.26 -5.11 115.64 118.96 2ptl s THR 9 Ca 0.00 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2ptl s THR 9 Cb 0.00 -2.65 0.30 0.00 0.01 0.00 0.00 72.50 70.16 2ptl s THR 9 CO 0.00 0.51 1.08 -2.16 -0.69 0.00 0.00 174.62 173.37 2ptl s PRO 10 N 0.19 -1.52 0.00 4.92 0.04 -1.26 -5.00 135.00 132.36 2ptl s PRO 10 Ca -0.03 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2ptl s PRO 10 Cb -0.14 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2ptl s PRO 10 CO 0.03 -3.91 0.16 0.39 0.04 0.00 0.00 177.00 173.71 2ptl n GLU 11 N -4.91 0.86 -2.77 4.56 1.02 -1.26 -4.83 120.64 113.32 2ptl n GLU 11 Ca 0.13 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 2ptl n GLU 11 Cb 0.60 -0.57 0.01 0.00 -0.02 0.00 0.00 31.44 31.45 2ptl n GLU 11 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2ptl n THR 12 N -0.17 0.97 -0.02 2.62 -1.04 -1.26 -4.92 114.28 110.47 2ptl n THR 12 Ca 0.00 -3.69 -0.12 0.00 -2.04 0.00 0.00 64.05 58.20 2ptl n THR 12 Cb 0.08 0.17 -0.07 0.00 -1.82 0.00 0.00 70.33 68.70 2ptl n THR 12 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2ptl h ASP 13 N 2.95 0.13 0.00 8.00 3.58 -2.02 -3.46 116.42 125.60 2ptl h ASP 13 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2ptl h ASP 13 Cb 1.08 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2ptl h ASP 13 CO 0.55 0.34 0.00 -1.20 -2.88 0.00 0.00 179.24 176.05 2ptl n SER 14 N -4.88 0.00 -3.71 2.28 7.64 -1.26 -5.13 113.62 108.56 2ptl n SER 14 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.69 2ptl n SER 14 Cb 0.16 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 2ptl n SER 14 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ptl s GLU 15 N 0.00 0.52 -0.44 1.43 4.04 -1.26 -5.11 118.70 117.89 2ptl s GLU 15 Ca 0.00 0.68 0.05 0.00 0.04 0.00 0.00 54.97 55.74 2ptl s GLU 15 Cb 0.00 0.22 0.17 0.00 0.02 0.00 0.00 34.13 34.54 2ptl s GLU 15 CO 0.00 -0.08 0.44 -2.00 -1.84 0.00 0.00 175.26 171.78 2ptl s GLU 16 N 0.45 0.93 0.00 -4.83 2.12 -1.26 -4.97 118.70 111.14 2ptl s GLU 16 Ca -0.02 -1.79 0.00 0.00 0.36 0.00 0.00 54.97 53.52 2ptl s GLU 16 Cb -0.04 -1.04 0.00 0.00 0.26 0.00 0.00 34.13 33.31 2ptl s GLU 16 CO -0.02 -1.36 0.00 -1.91 -0.54 0.00 0.00 175.26 171.43 2ptl n GLU 17 N 2.93 0.00 -4.04 4.30 2.13 -1.26 -5.11 120.64 119.60 2ptl n GLU 17 Ca 0.26 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.97 2ptl n GLU 17 Cb 0.50 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.16 2ptl n GLU 17 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2ptl s VAL 18 N -0.69 0.00 -0.28 6.31 -7.23 -1.26 -4.99 120.40 112.25 2ptl s VAL 18 Ca 0.00 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 2ptl s VAL 18 Cb 0.00 -2.44 0.17 0.00 0.56 0.00 0.00 36.38 34.67 2ptl s VAL 18 CO 0.00 0.00 0.49 -0.89 -0.31 0.00 0.00 175.10 174.39 2ptl s THR 19 N -3.54 -0.81 0.34 5.32 2.01 -1.26 -2.19 115.64 115.51 2ptl s THR 19 Ca 0.26 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 2ptl s THR 19 Cb -0.00 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 2ptl s THR 19 CO 0.14 -0.11 0.80 -0.51 -0.69 0.00 0.00 174.62 174.24 2ptl s ILE 20 N 2.69 4.57 0.24 1.82 2.07 0.11 -4.95 121.20 127.76 2ptl s ILE 20 Ca 0.13 1.16 0.11 0.00 -1.41 0.00 0.00 60.65 60.63 2ptl s ILE 20 Cb -0.13 -3.65 -0.05 0.00 0.13 0.00 0.00 42.46 38.76 2ptl s ILE 20 CO -0.24 -0.16 -0.19 -0.75 -1.91 0.00 0.00 174.94 171.69 2ptl s LYS 21 N -2.87 1.53 0.38 3.50 2.20 -1.21 -1.72 119.74 121.55 2ptl s LYS 21 Ca 0.55 -1.65 -0.11 0.00 -0.36 0.00 0.00 55.97 54.40 2ptl s LYS 21 Cb -0.11 -1.61 0.04 0.00 -1.51 0.00 0.00 37.83 34.64 2ptl s LYS 21 CO 0.17 0.31 0.69 0.00 -0.36 0.00 0.00 175.35 176.16 2ptl s ALA 22 N -2.38 -0.19 0.13 3.13 0.00 0.49 -3.20 121.76 119.74 2ptl s ALA 22 Ca 0.25 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 2ptl s ALA 22 Cb -0.05 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2ptl s ALA 22 CO 0.11 -0.92 0.35 -0.80 0.00 0.00 0.00 175.76 174.50 2ptl s ASN 23 N -3.14 -0.11 -0.62 0.00 0.01 -0.98 -1.48 114.94 108.62 2ptl s ASN 23 Ca 0.21 -0.50 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 2ptl s ASN 23 Cb -0.04 0.45 0.21 0.00 0.41 0.00 0.00 41.25 42.28 2ptl s ASN 23 CO 0.15 -0.85 0.59 0.18 -1.51 0.00 0.00 177.10 175.65 2ptl n LEU 24 N -0.20 2.67 -4.64 0.60 4.77 -1.10 -1.28 117.00 117.83 2ptl n LEU 24 Ca -0.14 -5.17 -0.43 0.00 -0.03 0.00 0.00 56.01 50.24 2ptl n LEU 24 Cb 0.63 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2ptl n LEU 24 CO 0.19 1.92 1.04 -0.63 -1.33 0.00 0.00 177.39 178.59 2ptl s ILE 25 N -1.70 4.34 0.30 -0.08 1.01 0.57 -1.20 121.20 124.43 2ptl s ILE 25 Ca 0.33 1.54 0.06 0.00 0.00 0.00 0.00 60.65 62.58 2ptl s ILE 25 Cb 0.07 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2ptl s ILE 25 CO -0.10 -0.45 0.43 -0.36 0.00 0.00 0.00 174.94 174.46 2ptl s PHE 26 N 3.93 3.24 -0.29 3.97 0.08 -1.24 -1.67 117.98 125.99 2ptl s PHE 26 Ca 0.51 -0.14 0.21 0.00 0.12 0.00 0.00 56.93 57.62 2ptl s PHE 26 Cb -0.15 -1.83 0.14 0.00 -0.57 0.00 0.00 43.02 40.61 2ptl s PHE 26 CO 0.18 0.16 1.34 0.00 -0.10 0.00 0.00 175.22 176.80 2ptl h ALA 27 N 0.99 0.76 0.00 5.36 0.00 -1.75 -3.28 119.26 121.34 2ptl h ALA 27 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2ptl h ALA 27 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2ptl h ALA 27 CO 0.56 0.23 0.00 0.27 0.00 0.00 0.00 179.25 180.31 2ptl n ASN 28 N -2.99 0.00 0.00 0.00 6.94 -1.26 -4.77 115.26 113.18 2ptl n ASN 28 Ca 0.01 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 2ptl n ASN 28 Cb 0.61 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 2ptl n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ptl n GLY 29 N -0.27 0.84 3.00 4.83 0.00 -1.24 -5.02 105.19 107.33 2ptl n GLY 29 Ca 0.07 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2ptl n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ptl s SER 30 N -2.11 4.97 0.24 1.61 0.01 -1.26 -5.03 113.70 112.12 2ptl s SER 30 Ca 0.00 -3.36 -0.30 0.00 1.31 0.00 0.00 55.95 53.60 2ptl s SER 30 Cb 0.00 -1.74 -0.09 0.00 0.21 0.00 0.00 66.02 64.41 2ptl s SER 30 CO 0.00 -0.21 0.97 0.42 0.41 0.00 0.00 173.24 174.83 2ptl s THR 31 N -0.78 4.01 0.00 1.44 -4.23 -1.26 -3.67 115.64 111.16 2ptl s THR 31 Ca 0.21 2.00 0.00 0.00 -1.18 0.00 0.00 61.69 62.72 2ptl s THR 31 Cb -0.15 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.42 2ptl s THR 31 CO -0.08 0.46 0.00 1.67 -0.54 0.00 0.00 174.62 176.14 2ptl n GLN 32 N 1.55 2.95 -4.00 3.99 -0.06 -0.34 -4.95 117.38 116.52 2ptl n GLN 32 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.89 2ptl n GLN 32 Cb 0.47 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.59 2ptl n GLN 32 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2ptl s THR 33 N 0.87 0.01 -0.26 1.69 -1.32 -1.26 -2.72 115.64 112.64 2ptl s THR 33 Ca 0.00 -1.42 -0.08 0.00 -1.21 0.00 0.00 61.69 58.98 2ptl s THR 33 Cb 0.00 -2.14 0.12 0.00 -1.51 0.00 0.00 72.50 68.97 2ptl s THR 33 CO 0.00 -0.05 0.56 0.00 -2.21 0.00 0.00 174.62 172.92 2ptl s ALA 34 N -4.02 -1.73 0.03 11.08 0.00 -0.55 -4.44 121.76 122.13 2ptl s ALA 34 Ca 0.22 1.94 0.01 0.00 0.00 0.00 0.00 51.96 54.14 2ptl s ALA 34 Cb 0.01 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2ptl s ALA 34 CO 0.07 -0.94 -0.06 -1.83 0.00 0.00 0.00 175.76 173.01 2ptl s GLU 35 N 2.78 0.45 0.03 0.00 4.04 -1.26 0.19 118.70 124.93 2ptl s GLU 35 Ca -0.01 -0.72 0.00 0.00 0.04 0.00 0.00 54.97 54.29 2ptl s GLU 35 Cb -0.13 -0.11 -0.03 0.00 0.02 0.00 0.00 34.13 33.89 2ptl s GLU 35 CO -0.17 0.00 -0.04 -0.06 -1.84 0.00 0.00 175.26 173.15 2ptl s PHE 36 N -1.51 0.43 0.22 4.83 0.40 -0.70 -4.97 117.98 116.68 2ptl s PHE 36 Ca -0.12 -0.64 0.10 0.00 -0.60 0.00 0.00 56.93 55.68 2ptl s PHE 36 Cb -0.09 -0.29 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 2ptl s PHE 36 CO -0.00 -0.20 -0.15 0.15 0.70 0.00 0.00 175.22 175.72 2ptl s LYS 37 N -2.03 1.85 0.00 0.44 3.01 -1.26 0.07 119.74 121.81 2ptl s LYS 37 Ca -0.09 -1.47 0.00 0.00 -1.01 0.00 0.00 55.97 53.40 2ptl s LYS 37 Cb -0.06 -1.98 0.00 0.00 -1.01 0.00 0.00 37.83 34.78 2ptl s LYS 37 CO -0.02 0.39 0.00 0.41 0.51 0.00 0.00 175.35 176.64 2ptl n GLY 38 N -0.16 2.38 7.00 -3.33 0.00 -0.93 -4.89 105.19 105.26 2ptl n GLY 38 Ca -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 1.57 0.00 0.00 2.61 5.66 -1.26 -4.69 114.28 118.17 2ptl n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ptl n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.14 0.00 0.48 1.09 7.35 -1.26 -4.70 117.46 120.28 2ptl n PHE 40 Ca 0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 2ptl n PHE 40 Cb 0.00 0.00 0.29 0.00 0.35 0.00 0.00 39.48 40.12 2ptl n PHE 40 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2ptl n GLU 41 N 0.00 0.01 -0.00 -4.13 2.13 -1.26 -1.82 120.64 115.56 2ptl n GLU 41 Ca 0.00 0.26 -0.02 0.00 0.66 0.00 0.00 57.16 58.06 2ptl n GLU 41 Cb 0.00 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 30.45 2ptl n GLU 41 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2ptl h LYS 42 N 0.00 0.53 0.00 5.31 1.63 -1.92 0.95 116.57 123.07 2ptl h LYS 42 Ca 0.00 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 2ptl h LYS 42 Cb 0.23 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2ptl h LYS 42 CO 0.00 0.64 -0.10 0.00 -3.45 0.00 0.00 179.45 176.54 2ptl h ALA 43 N 1.39 1.13 -0.77 5.00 0.00 -1.65 -1.81 119.26 122.55 2ptl h ALA 43 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2ptl h ALA 43 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2ptl h ALA 43 CO 0.03 0.12 0.51 0.00 0.00 0.00 0.00 179.25 179.91 2ptl h THR 44 N 0.00 1.17 0.05 0.00 1.03 -0.90 0.24 112.91 114.49 2ptl h THR 44 Ca -0.00 -0.35 -0.20 0.00 -0.01 0.00 0.00 66.41 65.85 2ptl h THR 44 Cb 0.41 0.07 0.02 0.00 -1.07 0.00 0.00 68.15 67.57 2ptl h THR 44 CO 0.01 0.18 -0.80 0.28 -0.01 0.00 0.00 175.52 175.19 2ptl h SER 45 N 1.01 0.62 0.09 0.00 0.02 -1.34 -1.47 113.55 112.48 2ptl h SER 45 Ca 0.29 -0.80 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2ptl h SER 45 Cb -0.06 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 2ptl h SER 45 CO -0.07 1.35 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.88 2ptl h GLU 46 N -0.04 0.00 0.24 3.45 4.81 -1.15 0.19 114.58 122.09 2ptl h GLU 46 Ca -0.11 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.78 2ptl h GLU 46 Cb 1.52 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.93 2ptl h GLU 46 CO 0.15 0.01 -1.52 0.00 -0.73 0.00 0.00 179.01 176.93 2ptl h ALA 47 N 1.99 -0.10 -0.53 2.92 0.00 -0.36 -0.24 119.26 122.95 2ptl h ALA 47 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2ptl h ALA 47 Cb 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ptl h ALA 47 CO 0.00 0.77 0.26 -0.92 0.00 0.00 0.00 179.25 179.36 2ptl h TYR 48 N 0.14 0.71 0.00 0.00 5.03 0.08 -0.25 116.97 122.68 2ptl h TYR 48 Ca -0.26 -0.01 -0.17 0.00 2.58 0.00 0.00 58.73 60.86 2ptl h TYR 48 Cb 2.15 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 40.18 2ptl h TYR 48 CO 0.12 0.52 -0.86 0.00 -1.32 0.00 0.00 178.16 176.62 2ptl h ALA 49 N 1.56 0.52 -0.27 1.82 0.00 -1.20 -3.14 119.26 118.55 2ptl h ALA 49 Ca 0.19 -0.75 0.03 0.00 0.00 0.00 0.00 54.91 54.37 2ptl h ALA 49 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2ptl h ALA 49 CO -0.03 1.00 0.07 -0.92 0.00 0.00 0.00 179.25 179.38 2ptl h TYR 50 N 0.00 0.13 0.00 0.00 3.20 0.73 1.00 116.97 122.02 2ptl h TYR 50 Ca -0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2ptl h TYR 50 Cb 1.62 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 2ptl h TYR 50 CO 0.00 0.05 -0.06 0.00 -1.64 0.00 0.00 178.16 176.51 2ptl h ALA 51 N 1.18 1.05 -0.26 1.82 0.00 -1.41 -2.10 119.26 119.55 2ptl h ALA 51 Ca 0.12 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2ptl h ALA 51 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ptl h ALA 51 CO -0.14 0.07 -0.51 0.22 0.00 0.00 0.00 179.25 178.89 2ptl h ASP 52 N 0.00 0.81 1.78 0.00 3.58 -0.79 -2.75 116.42 119.04 2ptl h ASP 52 Ca -0.00 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 2ptl h ASP 52 Cb 0.44 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2ptl h ASP 52 CO 0.01 1.17 -0.07 0.74 -2.88 0.00 0.00 179.24 178.21 2ptl h THR 53 N 0.57 0.13 -1.17 2.25 2.02 -0.75 -3.22 112.91 112.74 2ptl h THR 53 Ca 0.02 -1.10 -0.59 0.00 0.77 0.00 0.00 66.41 65.51 2ptl h THR 53 Cb 1.08 1.99 -0.23 0.00 -1.74 0.00 0.00 68.15 69.25 2ptl h THR 53 CO 0.11 0.07 0.73 -0.11 0.37 0.00 0.00 175.52 176.69 2ptl n LEU 54 N -3.12 7.15 -3.59 2.58 0.00 -0.84 -4.80 117.00 114.37 2ptl n LEU 54 Ca 0.03 -4.18 -0.41 0.00 0.00 0.00 0.00 56.01 51.45 2ptl n LEU 54 Cb 0.53 -1.07 -0.01 0.00 0.00 0.00 0.00 43.42 42.86 2ptl n LEU 54 CO 0.34 1.55 2.77 2.29 0.00 0.00 0.00 177.39 184.34 2ptl n LYS 55 N -0.18 3.43 -0.39 1.96 0.00 -1.22 -4.73 118.16 117.04 2ptl n LYS 55 Ca 0.51 -2.72 -0.02 0.00 -0.00 0.00 0.00 58.31 56.07 2ptl n LYS 55 Cb 0.51 -3.01 0.01 0.00 -0.00 0.00 0.00 35.03 32.54 2ptl n LYS 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ptl n LYS 56 N 4.48 1.12 -1.13 -1.58 5.02 -1.26 -4.63 118.16 120.19 2ptl n LYS 56 Ca 0.59 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2ptl n LYS 56 Cb 0.32 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 2ptl n LYS 56 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ptl n ASP 57 N 0.95 -1.30 -0.55 4.39 2.03 -1.26 -5.00 116.55 115.81 2ptl n ASP 57 Ca 0.05 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.41 2ptl n ASP 57 Cb 0.54 -0.32 0.12 0.00 -0.72 0.00 0.00 41.12 40.74 2ptl n ASP 57 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ptl n ASN 58 N -0.82 2.64 -1.91 1.67 3.02 -1.26 -4.67 115.26 113.93 2ptl n ASN 58 Ca 0.00 -1.88 -0.11 0.00 -0.03 0.00 0.00 54.58 52.56 2ptl n ASN 58 Cb 0.32 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2ptl n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ptl n GLY 59 N 0.46 0.26 6.79 7.41 0.00 -1.26 -2.30 105.19 116.55 2ptl n GLY 59 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.28 -0.01 -2.35 1.61 1.02 -1.26 -4.57 120.64 112.81 2ptl n GLU 60 Ca -0.12 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 56.98 2ptl n GLU 60 Cb 0.49 -0.01 0.01 0.00 -0.02 0.00 0.00 31.44 31.91 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 -0.22 -1.63 -4.39 -0.32 0.18 -1.26 -2.02 117.16 107.50 2ptl n TYR 61 Ca 0.00 -0.90 -0.28 0.00 1.88 0.00 0.00 57.90 58.60 2ptl n TYR 61 Cb 0.00 0.44 -0.12 0.00 -0.38 0.00 0.00 39.34 39.28 2ptl n TYR 61 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2ptl s THR 62 N -2.57 2.46 -0.35 -3.48 -1.32 -0.50 -4.93 115.64 104.95 2ptl s THR 62 Ca 0.08 -1.88 -0.12 0.00 -1.21 0.00 0.00 61.69 58.56 2ptl s THR 62 Cb -0.02 -2.16 -0.00 0.00 -1.51 0.00 0.00 72.50 68.80 2ptl s THR 62 CO 0.06 -0.05 0.22 0.54 -2.21 0.00 0.00 174.62 173.19 2ptl s VAL 63 N -1.48 5.03 0.84 5.08 0.11 -1.26 -2.46 120.40 126.25 2ptl s VAL 63 Ca 0.19 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 2ptl s VAL 63 Cb -0.09 -3.64 0.16 0.00 -1.53 0.00 0.00 36.38 31.28 2ptl s VAL 63 CO 0.09 -0.07 1.16 -1.81 -3.33 0.00 0.00 175.10 171.15 2ptl s ASP 64 N 1.67 3.77 -0.10 3.54 1.11 -1.09 -4.95 116.67 120.62 2ptl s ASP 64 Ca 0.05 0.03 -0.04 0.00 0.18 0.00 0.00 52.55 52.77 2ptl s ASP 64 Cb -0.18 -0.26 0.05 0.00 1.07 0.00 0.00 42.92 43.60 2ptl s ASP 64 CO 0.09 -2.28 0.18 -0.69 1.18 0.00 0.00 175.17 173.65 2ptl s VAL 65 N -3.53 -0.29 0.27 -1.27 1.01 -1.26 -4.04 120.40 111.30 2ptl s VAL 65 Ca 0.70 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.90 2ptl s VAL 65 Cb -0.05 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 36.03 2ptl s VAL 65 CO 0.49 0.12 0.53 0.00 0.00 0.00 0.00 175.10 176.24 2ptl n ALA 66 N 5.33 -1.16 -3.00 5.51 0.00 -1.26 -4.82 120.51 121.11 2ptl n ALA 66 Ca -0.05 -0.88 -0.18 0.00 0.00 0.00 0.00 53.44 52.33 2ptl n ALA 66 Cb 0.50 0.70 0.04 0.00 0.00 0.00 0.00 19.45 20.69 2ptl n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ptl n ASP 67 N -1.39 -5.23 0.00 0.00 2.03 -1.26 -1.26 116.55 109.43 2ptl n ASP 67 Ca -0.06 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 54.97 2ptl n ASP 67 Cb 0.41 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 2ptl n ASP 67 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2ptl n LYS 68 N -3.52 0.00 -1.28 -0.67 2.85 -1.26 -3.53 118.16 110.76 2ptl n LYS 68 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2ptl n LYS 68 Cb 0.58 -2.78 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 2ptl n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ptl n GLY 69 N -2.68 0.68 0.00 2.58 0.00 -0.39 -4.99 105.19 100.39 2ptl n GLY 69 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.94 0.00 -2.89 1.61 9.36 -0.78 -4.92 117.16 118.61 2ptl n TYR 70 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2ptl n TYR 70 Cb 0.29 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.01 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 -1.28 5.12 -1.97 2.97 -1.04 -1.06 -3.29 114.28 113.73 2ptl n THR 71 Ca 0.00 -5.61 -0.43 0.00 -2.04 0.00 0.00 64.05 55.97 2ptl n THR 71 Cb 0.05 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.38 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 -2.18 3.98 -0.34 -4.42 0.05 -1.19 -4.20 118.68 110.37 2ptl s LEU 72 Ca 0.33 1.90 -0.23 0.00 0.05 0.00 0.00 54.13 56.18 2ptl s LEU 72 Cb 0.05 -3.53 0.01 0.00 -2.05 0.00 0.00 46.19 40.67 2ptl s LEU 72 CO 0.08 -1.27 0.78 0.20 -0.55 0.00 0.00 176.35 175.59 2ptl s ASN 73 N 4.67 6.60 -0.44 1.48 0.02 -1.26 -2.32 114.94 123.69 2ptl s ASN 73 Ca 0.78 0.49 -0.27 0.00 -1.02 0.00 0.00 52.86 52.84 2ptl s ASN 73 Cb -0.30 -2.40 0.03 0.00 0.02 0.00 0.00 41.25 38.60 2ptl s ASN 73 CO 0.32 -0.68 1.03 -0.63 0.02 0.00 0.00 177.10 177.16 2ptl s ILE 74 N 3.04 4.37 -0.39 0.60 1.01 -0.40 -2.66 121.20 126.77 2ptl s ILE 74 Ca 0.32 1.10 -0.13 0.00 0.00 0.00 0.00 60.65 61.93 2ptl s ILE 74 Cb -0.14 -4.50 0.02 0.00 0.01 0.00 0.00 42.46 37.86 2ptl s ILE 74 CO 0.15 -0.85 0.26 -0.75 0.00 0.00 0.00 174.94 173.76 2ptl s LYS 75 N 4.02 2.96 0.61 2.79 2.36 -1.03 -0.32 119.74 131.13 2ptl s LYS 75 Ca 0.43 -1.01 -0.08 0.00 -2.55 0.00 0.00 55.97 52.75 2ptl s LYS 75 Cb -0.09 -3.88 -0.01 0.00 -1.05 0.00 0.00 37.83 32.80 2ptl s LYS 75 CO 0.27 -0.71 0.96 -0.06 1.55 0.00 0.00 175.35 177.35 2ptl s PHE 76 N 1.64 3.39 -0.10 4.03 0.40 -0.67 -1.41 117.98 125.25 2ptl s PHE 76 Ca 0.04 0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 57.25 2ptl s PHE 76 Cb -0.19 -2.75 -0.01 0.00 0.51 0.00 0.00 43.02 40.58 2ptl s PHE 76 CO 0.09 -0.81 0.01 0.00 0.70 0.00 0.00 175.22 175.21 2ptl h ALA 77 N -0.26 0.00 -0.00 5.36 0.00 -0.99 -3.38 119.26 119.98 2ptl h ALA 77 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ptl h ALA 77 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ptl h ALA 77 CO 0.62 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.31