#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptl n ASN 2 N 0.00 -2.52 -0.74 -1.84 5.15 -1.26 -4.53 115.26 109.52 2ptl n ASN 2 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 2ptl n ASN 2 Cb 0.00 -1.93 -0.04 0.00 -0.53 0.00 0.00 39.78 37.29 2ptl n ASN 2 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2ptl n LYS 3 N -1.26 0.00 -2.87 1.20 2.85 -1.26 -5.06 118.16 111.76 2ptl n LYS 3 Ca 0.00 -0.51 -0.04 0.00 -1.05 0.00 0.00 58.31 56.71 2ptl n LYS 3 Cb 0.16 0.47 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 2ptl n LYS 3 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2ptl s GLU 4 N 0.00 1.02 0.00 -1.58 2.12 -1.26 -4.97 118.70 114.03 2ptl s GLU 4 Ca 0.00 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.35 2ptl s GLU 4 Cb 0.00 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2ptl s GLU 4 CO 0.00 -1.31 0.40 0.39 -0.54 0.00 0.00 175.26 174.21 2ptl n GLU 5 N 3.20 0.55 -0.04 4.30 1.02 -1.26 -4.70 120.64 123.70 2ptl n GLU 5 Ca 0.17 -0.41 -0.14 0.00 -0.02 0.00 0.00 57.16 56.77 2ptl n GLU 5 Cb 0.56 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.99 2ptl n GLU 5 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2ptl h THR 6 N 0.01 1.39 -0.38 2.62 2.02 -2.00 -3.45 112.91 113.12 2ptl h THR 6 Ca 0.00 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.72 2ptl h THR 6 Cb 0.00 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2ptl h THR 6 CO 0.00 0.42 0.00 -2.65 0.37 0.00 0.00 175.52 173.66 2ptl n PRO 7 N -4.54 0.28 0.00 6.66 -0.02 -1.26 -4.88 135.00 131.24 2ptl n PRO 7 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2ptl n PRO 7 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 2ptl n PRO 7 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ptl n GLU 8 N -0.49 0.00 -1.14 -0.52 0.28 -1.26 -4.91 120.64 112.60 2ptl n GLU 8 Ca 0.00 0.44 0.12 0.00 -0.16 0.00 0.00 57.16 57.56 2ptl n GLU 8 Cb 0.00 -1.00 -0.06 0.00 1.43 0.00 0.00 31.44 31.80 2ptl n GLU 8 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2ptl n THR 9 N -0.95 -0.54 0.00 3.84 -2.24 -1.26 -4.71 114.28 108.42 2ptl n THR 9 Ca 0.00 0.59 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 2ptl n THR 9 Cb 0.00 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2ptl n THR 9 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2ptl n PRO 10 N -3.86 -0.75 -1.89 -0.78 -0.02 -1.26 -3.90 135.00 122.54 2ptl n PRO 10 Ca -0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.22 2ptl n PRO 10 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.91 2ptl n PRO 10 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ptl n GLU 11 N -1.32 -1.54 -3.56 -0.52 4.71 -1.26 -4.91 120.64 112.24 2ptl n GLU 11 Ca 0.00 1.14 -0.11 0.00 -0.01 0.00 0.00 57.16 58.18 2ptl n GLU 11 Cb 0.00 -5.63 -0.05 0.00 -1.01 0.00 0.00 31.44 24.75 2ptl n GLU 11 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2ptl s THR 12 N -2.85 0.00 0.00 2.62 2.01 -1.25 -5.08 115.64 111.09 2ptl s THR 12 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2ptl s THR 12 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2ptl s THR 12 CO 0.00 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.40 2ptl n ASP 13 N 0.60 0.00 0.00 3.53 9.92 -1.26 -4.96 116.55 124.37 2ptl n ASP 13 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 2ptl n ASP 13 Cb 0.58 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 2ptl n ASP 13 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2ptl n SER 14 N -2.21 0.00 -2.66 -2.24 7.64 -1.26 -4.85 113.62 108.03 2ptl n SER 14 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2ptl n SER 14 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2ptl n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ptl n GLU 15 N -2.00 2.40 -2.14 1.43 -0.58 -1.26 -4.88 120.64 113.61 2ptl n GLU 15 Ca 0.00 -4.02 -0.35 0.00 -0.42 0.00 0.00 57.16 52.36 2ptl n GLU 15 Cb 0.00 -1.86 0.02 0.00 -0.57 0.00 0.00 31.44 29.04 2ptl n GLU 15 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ptl n GLU 16 N -0.24 3.05 -3.24 3.49 1.02 -1.26 -4.96 120.64 118.49 2ptl n GLU 16 Ca 0.27 -3.90 0.00 0.00 -0.02 0.00 0.00 57.16 53.50 2ptl n GLU 16 Cb 0.68 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2ptl n GLU 16 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ptl n GLU 17 N -0.51 -0.25 -3.28 3.49 0.00 -1.26 -5.11 120.64 113.73 2ptl n GLU 17 Ca 0.48 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.43 2ptl n GLU 17 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.85 2ptl n GLU 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ptl s VAL 18 N -3.00 2.13 -0.29 6.31 -7.23 -1.26 -4.96 120.40 112.09 2ptl s VAL 18 Ca 0.00 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 2ptl s VAL 18 Cb 0.00 -2.28 0.18 0.00 0.56 0.00 0.00 36.38 34.84 2ptl s VAL 18 CO 0.00 0.00 0.57 -0.89 -0.31 0.00 0.00 175.10 174.47 2ptl s THR 19 N -2.65 -0.94 0.31 5.32 2.01 -1.26 -2.08 115.64 116.34 2ptl s THR 19 Ca 0.53 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.54 2ptl s THR 19 Cb -0.05 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 2ptl s THR 19 CO 0.33 -0.02 0.49 -0.51 -0.69 0.00 0.00 174.62 174.22 2ptl s ILE 20 N 2.81 5.15 -0.17 1.82 2.07 -1.24 -4.93 121.20 126.72 2ptl s ILE 20 Ca 0.19 -0.60 -0.05 0.00 -1.41 0.00 0.00 60.65 58.78 2ptl s ILE 20 Cb -0.15 -3.85 0.08 0.00 0.13 0.00 0.00 42.46 38.67 2ptl s ILE 20 CO -0.21 -0.47 0.30 -0.75 -1.91 0.00 0.00 174.94 171.90 2ptl s LYS 21 N -4.17 0.21 0.58 3.50 2.20 -0.63 -2.84 119.74 118.60 2ptl s LYS 21 Ca 0.38 0.71 0.08 0.00 -0.36 0.00 0.00 55.97 56.79 2ptl s LYS 21 Cb -0.09 -0.16 0.08 0.00 -1.51 0.00 0.00 37.83 36.14 2ptl s LYS 21 CO 0.34 -0.37 0.68 0.00 -0.36 0.00 0.00 175.35 175.63 2ptl s ALA 22 N 2.47 4.65 -0.12 3.13 0.00 0.74 -2.80 121.76 129.83 2ptl s ALA 22 Ca 0.03 -1.85 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 2ptl s ALA 22 Cb -0.13 -1.20 0.07 0.00 0.00 0.00 0.00 23.12 21.87 2ptl s ALA 22 CO -0.11 -0.77 0.71 -0.80 0.00 0.00 0.00 175.76 174.79 2ptl s ASN 23 N -4.56 -0.68 0.28 0.00 0.01 -1.16 -1.07 114.94 107.76 2ptl s ASN 23 Ca 0.52 0.93 0.11 0.00 -0.71 0.00 0.00 52.86 53.72 2ptl s ASN 23 Cb -0.04 0.82 -0.05 0.00 0.41 0.00 0.00 41.25 42.38 2ptl s ASN 23 CO 0.33 -0.49 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.52 2ptl s LEU 24 N -0.70 2.72 -0.29 0.60 1.02 -0.15 -1.06 118.68 120.83 2ptl s LEU 24 Ca -0.07 -0.96 0.03 0.00 0.02 0.00 0.00 54.13 53.14 2ptl s LEU 24 Cb -0.02 -1.22 0.18 0.00 0.02 0.00 0.00 46.19 45.16 2ptl s LEU 24 CO 0.07 0.02 0.52 -0.63 0.02 0.00 0.00 176.35 176.35 2ptl s ILE 25 N -2.48 -0.86 0.47 -0.59 1.01 -1.11 -1.26 121.20 116.38 2ptl s ILE 25 Ca 0.30 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 2ptl s ILE 25 Cb -0.05 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.37 2ptl s ILE 25 CO 0.16 -0.09 0.90 -0.36 0.00 0.00 0.00 174.94 175.55 2ptl s PHE 26 N 2.73 3.45 0.05 3.97 0.08 0.74 -1.19 117.98 127.81 2ptl s PHE 26 Ca 0.12 1.32 0.05 0.00 0.12 0.00 0.00 56.93 58.55 2ptl s PHE 26 Cb -0.12 -2.67 -0.23 0.00 -0.57 0.00 0.00 43.02 39.43 2ptl s PHE 26 CO -0.25 -0.25 1.04 0.00 -0.10 0.00 0.00 175.22 175.65 2ptl h ALA 27 N 1.12 0.42 0.00 5.36 0.00 -1.77 -3.34 119.26 121.04 2ptl h ALA 27 Ca -0.47 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.36 2ptl h ALA 27 Cb 1.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ptl h ALA 27 CO 0.62 1.29 -0.95 0.27 0.00 0.00 0.00 179.25 180.48 2ptl n ASN 28 N -3.31 4.76 -0.28 0.00 6.94 -1.26 -4.61 115.26 117.50 2ptl n ASN 28 Ca -0.08 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.49 2ptl n ASN 28 Cb 0.99 0.50 0.03 0.00 -2.36 0.00 0.00 39.78 38.95 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 2.85 -0.00 2.83 4.83 0.00 -1.26 -5.00 105.19 109.44 2ptl n GLY 29 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2ptl n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ptl n SER 30 N -0.19 0.00 -4.79 1.61 2.88 -1.25 -4.81 113.62 107.06 2ptl n SER 30 Ca 0.03 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.34 2ptl n SER 30 Cb 0.14 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 2ptl n SER 30 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2ptl s THR 31 N -0.59 2.50 0.31 2.46 -4.23 -1.26 -0.19 115.64 114.65 2ptl s THR 31 Ca 0.00 -1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 58.81 2ptl s THR 31 Cb 0.00 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.86 2ptl s THR 31 CO 0.00 -0.01 0.64 -1.10 -0.54 0.00 0.00 174.62 173.61 2ptl s GLN 32 N -3.99 1.88 0.29 3.99 -0.21 -0.39 -4.85 119.66 116.38 2ptl s GLN 32 Ca 0.44 -1.31 0.05 0.00 0.02 0.00 0.00 55.36 54.56 2ptl s GLN 32 Cb 0.01 0.55 -0.02 0.00 1.00 0.00 0.00 33.01 34.55 2ptl s GLN 32 CO 0.25 -0.84 0.19 0.25 -2.12 0.00 0.00 175.29 173.02 2ptl n THR 33 N -0.48 0.00 -3.53 -0.19 -2.24 -1.26 -0.97 114.28 105.61 2ptl n THR 33 Ca -0.04 -1.94 -0.16 0.00 -2.27 0.00 0.00 64.05 59.64 2ptl n THR 33 Cb 0.60 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 2ptl n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ptl s ALA 34 N -3.02 -1.62 -0.27 6.98 0.00 -0.23 -4.63 121.76 118.97 2ptl s ALA 34 Ca 0.27 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 2ptl s ALA 34 Cb 0.01 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.38 2ptl s ALA 34 CO 0.19 -0.43 0.70 -1.83 0.00 0.00 0.00 175.76 174.39 2ptl s GLU 35 N -1.71 0.80 -0.34 0.00 -1.05 -1.26 -0.19 118.70 114.96 2ptl s GLU 35 Ca -0.09 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.76 2ptl s GLU 35 Cb -0.01 0.35 0.14 0.00 -0.44 0.00 0.00 34.13 34.18 2ptl s GLU 35 CO 0.05 -0.11 0.25 -0.06 0.95 0.00 0.00 175.26 176.34 2ptl s PHE 36 N 0.60 0.29 0.99 4.83 0.08 -1.13 -4.97 117.98 118.68 2ptl s PHE 36 Ca -0.02 -1.18 -0.16 0.00 0.12 0.00 0.00 56.93 55.69 2ptl s PHE 36 Cb -0.05 -0.74 0.21 0.00 -0.57 0.00 0.00 43.02 41.87 2ptl s PHE 36 CO -0.03 -0.87 1.26 -1.59 -0.10 0.00 0.00 175.22 173.89 2ptl s LYS 37 N 1.44 0.40 0.00 0.44 0.00 -1.26 -3.65 119.74 117.11 2ptl s LYS 37 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 55.97 55.85 2ptl s LYS 37 Cb -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 37.83 35.83 2ptl s LYS 37 CO -0.09 -2.60 0.00 0.41 0.00 0.00 0.00 175.35 173.07 2ptl n GLY 38 N -3.13 2.37 3.50 0.59 0.00 -0.89 -4.88 105.19 102.76 2ptl n GLY 38 Ca 0.14 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2ptl n GLY 38 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ptl s THR 39 N 0.00 4.95 0.00 2.61 -1.32 -1.26 -4.46 115.64 116.16 2ptl s THR 39 Ca 0.00 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2ptl s THR 39 Cb 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 2ptl s THR 39 CO 0.00 0.09 0.02 0.33 -2.21 0.00 0.00 174.62 172.85 2ptl n PHE 40 N 5.04 0.00 0.54 9.09 7.35 -1.26 -3.68 117.46 134.53 2ptl n PHE 40 Ca -0.14 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.68 2ptl n PHE 40 Cb 0.50 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.63 2ptl n PHE 40 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2ptl h GLU 41 N 0.00 0.00 0.00 -4.13 4.22 -1.95 -2.55 114.58 110.17 2ptl h GLU 41 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ptl h GLU 41 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ptl h GLU 41 CO 0.00 0.00 0.00 -0.22 -2.18 0.00 0.00 179.01 176.61 2ptl h LYS 42 N 0.00 0.00 0.00 1.92 3.64 -1.98 -1.27 116.57 118.87 2ptl h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ptl h LYS 42 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2ptl h LYS 42 CO 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 179.45 177.01 2ptl n ALA 43 N -2.08 2.54 -0.29 5.00 0.00 -0.96 -3.73 120.51 120.98 2ptl n ALA 43 Ca 0.01 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.39 2ptl n ALA 43 Cb 0.34 -1.38 0.20 0.00 0.00 0.00 0.00 19.45 18.61 2ptl n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ptl h THR 44 N 0.00 0.79 0.00 0.00 1.03 -1.27 0.70 112.91 114.16 2ptl h THR 44 Ca 0.00 -0.23 -0.07 0.00 -0.01 0.00 0.00 66.41 66.10 2ptl h THR 44 Cb 0.65 0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 67.77 2ptl h THR 44 CO 0.00 0.12 -0.32 0.77 -0.01 0.00 0.00 175.52 176.08 2ptl h SER 45 N 0.67 0.00 1.91 0.00 4.64 -1.75 -1.65 113.55 117.38 2ptl h SER 45 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2ptl h SER 45 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2ptl h SER 45 CO -0.32 0.32 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.55 2ptl h GLU 46 N 0.00 0.00 0.22 4.77 4.39 -0.40 0.76 114.58 124.32 2ptl h GLU 46 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2ptl h GLU 46 Cb 0.95 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2ptl h GLU 46 CO 0.04 0.00 -1.63 0.00 -1.16 0.00 0.00 179.01 176.26 2ptl h ALA 47 N 2.01 0.01 -0.02 3.43 0.00 0.57 0.31 119.26 125.57 2ptl h ALA 47 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 54.91 53.73 2ptl h ALA 47 Cb 0.99 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2ptl h ALA 47 CO 0.00 0.87 -0.74 -0.92 0.00 0.00 0.00 179.25 178.47 2ptl h TYR 48 N 0.13 0.22 -0.12 0.00 5.03 -1.31 0.19 116.97 121.12 2ptl h TYR 48 Ca -0.30 -0.11 -0.21 0.00 2.58 0.00 0.00 58.73 60.69 2ptl h TYR 48 Cb 2.14 -0.03 0.01 0.00 1.55 0.00 0.00 36.73 40.39 2ptl h TYR 48 CO 0.11 0.84 -0.78 0.00 -1.32 0.00 0.00 178.16 177.02 2ptl h ALA 49 N 1.13 0.41 -0.07 1.82 0.00 -0.90 0.18 119.26 121.83 2ptl h ALA 49 Ca -0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2ptl h ALA 49 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2ptl h ALA 49 CO 0.11 0.72 -0.10 -0.92 0.00 0.00 0.00 179.25 179.05 2ptl h TYR 50 N 0.43 0.11 0.00 0.00 3.20 -0.63 0.29 116.97 120.38 2ptl h TYR 50 Ca -0.05 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 2ptl h TYR 50 Cb 1.39 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2ptl h TYR 50 CO 0.07 0.22 -0.51 0.00 -1.64 0.00 0.00 178.16 176.30 2ptl h ALA 51 N 1.79 0.83 0.00 1.82 0.00 0.36 -3.08 119.26 120.98 2ptl h ALA 51 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ptl h ALA 51 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ptl h ALA 51 CO 0.01 0.63 -0.68 -3.47 0.00 0.00 0.00 179.25 175.75 2ptl n ASP 52 N -3.45 0.65 0.16 0.00 2.03 0.53 -3.90 116.55 112.58 2ptl n ASP 52 Ca 0.00 -0.45 0.05 0.00 0.52 0.00 0.00 54.79 54.91 2ptl n ASP 52 Cb 0.63 0.50 0.07 0.00 -0.72 0.00 0.00 41.12 41.60 2ptl n ASP 52 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2ptl h THR 53 N 0.00 0.65 0.00 5.18 2.02 -0.47 -3.37 112.91 116.92 2ptl h THR 53 Ca 0.00 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.29 2ptl h THR 53 Cb 0.52 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2ptl h THR 53 CO 0.00 0.37 0.00 -0.11 0.37 0.00 0.00 175.52 176.15 2ptl n LEU 54 N -3.20 0.55 -2.45 2.58 7.94 -1.24 -4.72 117.00 116.46 2ptl n LEU 54 Ca 0.02 0.50 -0.12 0.00 -1.11 0.00 0.00 56.01 55.30 2ptl n LEU 54 Cb 0.68 -0.12 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 2ptl n LEU 54 CO 0.39 -0.12 -0.05 0.29 -1.11 0.00 0.00 177.39 176.79 2ptl n LYS 55 N -0.87 -1.49 0.00 1.96 5.02 -1.26 -4.76 118.16 116.76 2ptl n LYS 55 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2ptl n LYS 55 Cb 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 2ptl n LYS 55 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ptl n LYS 56 N -1.99 0.00 -1.47 1.97 4.76 -1.26 -4.77 118.16 115.40 2ptl n LYS 56 Ca 0.03 0.35 -0.01 0.00 -2.87 0.00 0.00 58.31 55.82 2ptl n LYS 56 Cb 0.27 -1.05 -0.01 0.00 -1.84 0.00 0.00 35.03 32.41 2ptl n LYS 56 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2ptl n ASP 57 N -1.56 0.15 -0.06 4.39 5.68 -1.26 -4.95 116.55 118.93 2ptl n ASP 57 Ca 0.00 -2.01 -0.05 0.00 -0.50 0.00 0.00 54.79 52.23 2ptl n ASP 57 Cb 0.00 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 39.93 2ptl n ASP 57 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2ptl n ASN 58 N 0.12 1.56 0.00 -1.12 3.02 -1.26 -5.04 115.26 112.54 2ptl n ASN 58 Ca -0.08 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2ptl n ASN 58 Cb 0.94 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.58 0.04 0.05 7.41 0.00 -1.26 -3.60 105.19 109.41 2ptl n GLY 59 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.12 -2.62 1.61 1.02 -1.26 -4.78 120.64 114.50 2ptl n GLU 60 Ca 0.00 0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2ptl n GLU 60 Cb 0.00 -0.12 -0.01 0.00 -0.02 0.00 0.00 31.44 31.28 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 -1.84 -0.87 -4.25 -0.32 0.18 -1.26 -3.35 117.16 105.45 2ptl n TYR 61 Ca -0.00 -1.02 -0.28 0.00 1.88 0.00 0.00 57.90 58.48 2ptl n TYR 61 Cb 0.02 0.24 -0.10 0.00 -0.38 0.00 0.00 39.34 39.12 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 -2.60 3.29 0.12 -3.48 2.01 -1.26 -4.98 115.64 108.75 2ptl s THR 62 Ca 0.13 -1.45 -0.17 0.00 0.31 0.00 0.00 61.69 60.50 2ptl s THR 62 Cb -0.00 -2.59 -0.07 0.00 0.01 0.00 0.00 72.50 69.85 2ptl s THR 62 CO 0.09 0.00 0.57 -0.69 -0.69 0.00 0.00 174.62 173.90 2ptl s VAL 63 N -1.45 4.79 0.74 3.82 1.01 -1.26 -3.91 120.40 124.15 2ptl s VAL 63 Ca 0.23 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 2ptl s VAL 63 Cb -0.10 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.61 2ptl s VAL 63 CO 0.14 0.38 1.02 -1.81 0.00 0.00 0.00 175.10 174.83 2ptl s ASP 64 N -1.45 4.21 -0.23 3.32 1.11 0.25 -4.94 116.67 118.94 2ptl s ASP 64 Ca 0.34 -0.40 -0.04 0.00 0.18 0.00 0.00 52.55 52.63 2ptl s ASP 64 Cb -0.17 0.09 0.08 0.00 1.07 0.00 0.00 42.92 43.99 2ptl s ASP 64 CO 0.19 -1.96 0.09 -0.69 1.18 0.00 0.00 175.17 173.98 2ptl s VAL 65 N -3.19 0.16 -0.07 -1.27 1.01 -1.26 -4.29 120.40 111.48 2ptl s VAL 65 Ca 0.67 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 2ptl s VAL 65 Cb -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.44 2ptl s VAL 65 CO 0.45 -0.46 0.46 0.00 0.00 0.00 0.00 175.10 175.55 2ptl s ALA 66 N 2.01 -1.18 -0.62 5.51 0.00 -1.26 -4.82 121.76 121.40 2ptl s ALA 66 Ca 0.05 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 2ptl s ALA 66 Cb -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2ptl s ALA 66 CO -0.20 -0.28 0.07 -3.47 0.00 0.00 0.00 175.76 171.88 2ptl n ASP 67 N 1.64 -2.90 -1.77 0.00 -0.08 -1.26 -3.22 116.55 108.96 2ptl n ASP 67 Ca -0.18 -0.04 -0.08 0.00 -1.51 0.00 0.00 54.79 52.98 2ptl n ASP 67 Cb 0.56 -2.10 0.03 0.00 2.34 0.00 0.00 41.12 41.96 2ptl n ASP 67 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2ptl n LYS 68 N -1.79 -2.86 -1.86 -0.67 0.00 -1.26 -2.41 118.16 107.32 2ptl n LYS 68 Ca -0.07 0.32 -0.07 0.00 0.00 0.00 0.00 58.31 58.48 2ptl n LYS 68 Cb 0.56 -3.79 -0.02 0.00 0.00 0.00 0.00 35.03 31.79 2ptl n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ptl n GLY 69 N -1.07 0.07 0.08 3.14 0.00 -1.20 -4.70 105.19 101.52 2ptl n GLY 69 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.28 0.65 -3.11 1.61 9.36 -1.01 -4.48 117.16 117.90 2ptl n TYR 70 Ca -0.08 0.21 -0.19 0.00 3.32 0.00 0.00 57.90 61.17 2ptl n TYR 70 Cb 0.41 -0.95 -0.03 0.00 -0.63 0.00 0.00 39.34 38.14 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 -2.72 0.35 -1.73 2.97 -1.04 -1.20 -1.60 114.28 109.32 2ptl n THR 71 Ca -0.11 -4.60 -0.39 0.00 -2.04 0.00 0.00 64.05 56.91 2ptl n THR 71 Cb 0.80 -0.34 0.03 0.00 -1.82 0.00 0.00 70.33 69.00 2ptl n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ptl n LEU 72 N 0.18 4.88 -4.52 -4.42 -0.00 -1.12 -4.62 117.00 107.38 2ptl n LEU 72 Ca 0.25 1.03 -0.32 0.00 -0.00 0.00 0.00 56.01 56.96 2ptl n LEU 72 Cb 0.64 -1.55 -0.12 0.00 -0.00 0.00 0.00 43.42 42.39 2ptl n LEU 72 CO 0.23 -0.61 -0.43 0.20 -0.00 0.00 0.00 177.39 176.78 2ptl s ASN 73 N -0.74 4.22 0.22 1.45 0.02 -1.26 -3.00 114.94 115.85 2ptl s ASN 73 Ca 0.67 -0.20 0.10 0.00 -1.02 0.00 0.00 52.86 52.41 2ptl s ASN 73 Cb -0.45 -0.91 -0.05 0.00 0.02 0.00 0.00 41.25 39.87 2ptl s ASN 73 CO 0.53 0.32 -0.18 -0.63 0.02 0.00 0.00 177.10 177.16 2ptl s ILE 74 N -0.84 2.05 -0.15 0.60 1.01 -0.22 -0.58 121.20 123.07 2ptl s ILE 74 Ca 0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 60.65 58.54 2ptl s ILE 74 Cb -0.11 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.34 2ptl s ILE 74 CO 0.03 -0.43 0.23 -0.75 0.00 0.00 0.00 174.94 174.02 2ptl s LYS 75 N -3.34 0.15 0.27 2.79 2.47 -1.25 -2.76 119.74 118.06 2ptl s LYS 75 Ca 0.23 0.53 -0.29 0.00 -1.56 0.00 0.00 55.97 54.88 2ptl s LYS 75 Cb -0.04 -0.47 -0.09 0.00 -1.46 0.00 0.00 37.83 35.76 2ptl s LYS 75 CO 0.10 -0.42 1.15 -0.06 0.16 0.00 0.00 175.35 176.28 2ptl s PHE 76 N 2.37 3.46 0.00 4.03 0.08 -0.34 -4.23 117.98 123.35 2ptl s PHE 76 Ca 0.04 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.69 2ptl s PHE 76 Cb -0.13 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 2ptl s PHE 76 CO -0.09 -0.89 0.00 0.00 -0.10 0.00 0.00 175.22 174.13 2ptl n ALA 77 N 1.34 0.00 -0.45 5.36 0.00 -1.21 -4.35 120.51 121.20 2ptl n ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ptl n ALA 77 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2ptl n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91