#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k50 s GLU 3 N 0.00 4.60 -0.02 5.31 2.12 -1.26 -4.37 118.70 125.08 1k50 s GLU 3 Ca 0.00 1.24 0.04 0.00 0.36 0.00 0.00 54.97 56.61 1k50 s GLU 3 Cb 0.00 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1k50 s GLU 3 CO 0.00 0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 174.96 1k50 s VAL 4 N -0.21 1.12 -0.17 3.70 1.01 0.85 -4.96 120.40 121.73 1k50 s VAL 4 Ca 0.41 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1k50 s VAL 4 Cb -0.22 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1k50 s VAL 4 CO 0.26 0.32 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 1k50 s THR 5 N -0.24 2.35 -0.28 3.92 2.01 -1.26 -1.69 115.64 120.45 1k50 s THR 5 Ca 0.04 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1k50 s THR 5 Cb -0.06 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1k50 s THR 5 CO -0.00 0.52 0.11 -0.63 -0.69 0.00 0.00 174.62 173.93 1k50 s ILE 6 N 1.11 4.44 -0.37 1.82 -1.09 0.73 -4.96 121.20 122.88 1k50 s ILE 6 Ca 0.00 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 57.98 1k50 s ILE 6 Cb -0.14 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1k50 s ILE 6 CO -0.07 0.22 0.39 -0.75 -1.23 0.00 0.00 174.94 173.50 1k50 s LYS 7 N 1.61 3.39 -0.27 2.79 2.20 -1.26 -1.13 119.74 127.07 1k50 s LYS 7 Ca 0.05 -0.55 -0.12 0.00 -0.36 0.00 0.00 55.97 54.99 1k50 s LYS 7 Cb -0.16 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 1k50 s LYS 7 CO 0.05 -0.64 0.25 0.00 -0.36 0.00 0.00 175.35 174.64 1k50 s ALA 8 N 2.05 3.55 -0.41 3.13 0.00 0.19 -4.96 121.76 125.30 1k50 s ALA 8 Ca 0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1k50 s ALA 8 Cb -0.17 -2.54 0.05 0.00 0.00 0.00 0.00 23.12 20.47 1k50 s ALA 8 CO 0.12 -0.55 0.27 -0.80 0.00 0.00 0.00 175.76 174.80 1k50 s ASN 9 N 1.67 5.81 -0.15 0.00 0.01 -1.26 -1.76 114.94 119.26 1k50 s ASN 9 Ca 0.10 -1.23 -0.22 0.00 -0.71 0.00 0.00 52.86 50.79 1k50 s ASN 9 Cb -0.16 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 1k50 s ASN 9 CO 0.10 -0.50 0.67 -0.76 -1.51 0.00 0.00 177.10 175.11 1k50 s LEU 10 N 1.54 4.21 -0.22 0.60 1.43 0.09 -4.96 118.68 121.38 1k50 s LEU 10 Ca 0.03 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1k50 s LEU 10 Cb -0.22 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1k50 s LEU 10 CO 0.05 -0.23 -0.08 -0.63 0.23 0.00 0.00 176.35 175.69 1k50 s ILE 11 N 1.52 2.99 0.21 -0.59 1.01 -1.26 -1.22 121.20 123.85 1k50 s ILE 11 Ca 0.33 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1k50 s ILE 11 Cb -0.16 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1k50 s ILE 11 CO 0.13 0.42 0.27 -0.36 0.00 0.00 0.00 174.94 175.40 1k50 s PHE 12 N 1.41 3.33 0.47 3.97 0.40 -0.73 -5.00 117.98 121.83 1k50 s PHE 12 Ca 0.05 -0.01 0.23 0.00 -0.60 0.00 0.00 56.93 56.60 1k50 s PHE 12 Cb -0.14 -1.54 1.26 0.00 0.51 0.00 0.00 43.02 43.10 1k50 s PHE 12 CO -0.06 0.49 1.87 0.00 0.70 0.00 0.00 175.22 178.22 1k50 h ALA 13 N 1.64 2.47 0.00 5.36 0.00 -1.88 0.72 119.26 127.56 1k50 h ALA 13 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1k50 h ALA 13 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k50 h ALA 13 CO 0.63 -0.75 0.00 0.27 0.00 0.00 0.00 179.25 179.40 1k50 n ASN 14 N -4.42 0.00 0.00 0.00 0.23 -1.26 -4.89 115.26 104.92 1k50 n ASN 14 Ca 0.19 0.39 0.00 0.00 -0.53 0.00 0.00 54.58 54.63 1k50 n ASN 14 Cb 0.81 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1k50 n ASN 14 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k50 n GLY 15 N 0.28 3.00 3.47 4.83 0.00 0.24 -5.07 105.19 111.94 1k50 n GLY 15 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1k50 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k50 s SER 16 N 0.13 0.21 -0.05 1.61 1.04 -1.26 -4.74 113.70 110.64 1k50 s SER 16 Ca 0.00 0.86 -0.27 0.00 0.48 0.00 0.00 55.95 57.02 1k50 s SER 16 Cb 0.00 -1.25 0.06 0.00 0.10 0.00 0.00 66.02 64.93 1k50 s SER 16 CO 0.00 -4.59 0.60 0.42 0.98 0.00 0.00 173.24 170.65 1k50 s THR 17 N -2.64 0.01 0.28 2.02 -4.23 -1.26 -1.78 115.64 108.05 1k50 s THR 17 Ca 0.69 -0.10 0.09 0.00 -1.18 0.00 0.00 61.69 61.19 1k50 s THR 17 Cb -0.14 -0.92 -0.06 0.00 1.34 0.00 0.00 72.50 72.73 1k50 s THR 17 CO 0.58 -0.05 -0.12 -1.10 -0.54 0.00 0.00 174.62 173.38 1k50 s GLN 18 N -1.18 1.61 -0.03 3.99 -0.21 -0.36 -4.97 119.66 118.51 1k50 s GLN 18 Ca -0.11 -1.78 0.02 0.00 0.02 0.00 0.00 55.36 53.50 1k50 s GLN 18 Cb -0.01 -1.45 0.01 0.00 1.00 0.00 0.00 33.01 32.56 1k50 s GLN 18 CO 0.09 0.17 -0.08 0.99 -2.12 0.00 0.00 175.29 174.34 1k50 s THR 19 N -2.77 0.71 0.01 -0.19 2.01 -1.26 -0.73 115.64 113.42 1k50 s THR 19 Ca 0.29 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1k50 s THR 19 Cb 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1k50 s THR 19 CO 0.13 0.24 0.03 0.00 -0.69 0.00 0.00 174.62 174.33 1k50 s ALA 20 N 0.44 -0.05 0.03 7.40 0.00 -0.72 -4.99 121.76 123.87 1k50 s ALA 20 Ca -0.07 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1k50 s ALA 20 Cb -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1k50 s ALA 20 CO 0.01 -0.15 -0.18 -1.21 0.00 0.00 0.00 175.76 174.24 1k50 s GLU 21 N -1.14 1.24 0.01 0.00 2.02 -1.26 0.56 118.70 120.14 1k50 s GLU 21 Ca -0.12 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.12 1k50 s GLU 21 Cb -0.07 -1.28 -0.01 0.00 0.10 0.00 0.00 34.13 32.86 1k50 s GLU 21 CO -0.00 0.33 -0.12 -0.06 0.02 0.00 0.00 175.26 175.43 1k50 s PHE 22 N -0.70 1.04 0.06 1.61 0.40 -0.28 -4.97 117.98 115.13 1k50 s PHE 22 Ca 0.05 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1k50 s PHE 22 Cb -0.08 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 1k50 s PHE 22 CO 0.01 -0.00 -0.14 0.15 0.70 0.00 0.00 175.22 175.94 1k50 s LYS 23 N -0.66 0.87 0.00 0.44 1.02 -1.26 -0.20 119.74 119.96 1k50 s LYS 23 Ca 0.02 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1k50 s LYS 23 Cb -0.06 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1k50 s LYS 23 CO 0.00 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1k50 n GLY 24 N 1.59 -0.28 3.79 -3.33 0.00 -0.68 -4.62 105.19 101.65 1k50 n GLY 24 Ca -0.20 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1k50 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k50 s THR 25 N -3.66 3.37 0.19 2.61 -4.23 -1.26 -0.10 115.64 112.55 1k50 s THR 25 Ca 0.00 0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1k50 s THR 25 Cb 0.00 -3.09 0.14 0.00 1.34 0.00 0.00 72.50 70.90 1k50 s THR 25 CO 0.00 -0.58 1.67 0.15 -0.54 0.00 0.00 174.62 175.32 1k50 h PHE 26 N -1.06 -0.08 -0.12 3.99 3.57 -1.91 -0.45 116.94 120.89 1k50 h PHE 26 Ca -0.46 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1k50 h PHE 26 Cb 1.24 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 1k50 h PHE 26 CO 0.53 -0.14 -0.04 1.49 -2.23 0.00 0.00 178.31 177.93 1k50 h GLU 27 N 0.09 -0.01 -0.31 1.11 4.81 -1.97 -2.52 114.58 115.78 1k50 h GLU 27 Ca 0.26 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1k50 h GLU 27 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1k50 h GLU 27 CO -0.45 -0.01 -0.36 -0.22 -0.73 0.00 0.00 179.01 177.24 1k50 h LYS 28 N -0.01 0.79 -0.49 1.92 3.64 -1.78 -1.75 116.57 118.89 1k50 h LYS 28 Ca 0.06 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 58.92 1k50 h LYS 28 Cb 0.10 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1k50 h LYS 28 CO -0.13 1.07 -0.01 0.00 -2.27 0.00 0.00 179.45 178.11 1k50 h ALA 29 N 0.71 0.66 -0.23 5.00 0.00 -1.09 0.73 119.26 125.05 1k50 h ALA 29 Ca 0.04 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1k50 h ALA 29 Cb 0.95 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k50 h ALA 29 CO 0.09 0.48 -0.30 1.79 0.00 0.00 0.00 179.25 181.31 1k50 h THR 30 N 0.73 1.32 -0.78 0.00 1.35 -1.50 -2.00 112.91 112.03 1k50 h THR 30 Ca 0.14 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1k50 h THR 30 Cb 0.53 1.75 -0.04 0.00 -1.73 0.00 0.00 68.15 68.67 1k50 h THR 30 CO 0.03 0.46 0.51 0.28 -0.25 0.00 0.00 175.52 176.55 1k50 h SER 31 N 0.29 0.91 -0.80 5.36 0.02 -1.20 -0.45 113.55 117.69 1k50 h SER 31 Ca 0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1k50 h SER 31 Cb 0.87 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1k50 h SER 31 CO 0.07 0.67 0.44 -0.33 -1.14 0.00 0.00 176.83 176.54 1k50 h GLU 32 N 1.07 1.12 -0.44 3.45 5.08 -0.78 -0.31 114.58 123.78 1k50 h GLU 32 Ca 0.29 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1k50 h GLU 32 Cb -0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1k50 h GLU 32 CO -0.06 0.82 0.23 0.00 -1.00 0.00 0.00 179.01 179.00 1k50 h ALA 33 N 1.36 0.56 -0.67 3.43 0.00 -0.52 -0.58 119.26 122.83 1k50 h ALA 33 Ca 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1k50 h ALA 33 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1k50 h ALA 33 CO -0.05 0.10 0.28 1.88 0.00 0.00 0.00 179.25 181.47 1k50 h TYR 34 N 0.57 1.01 -0.60 0.00 0.05 -0.50 -1.15 116.97 116.34 1k50 h TYR 34 Ca 0.15 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1k50 h TYR 34 Cb 0.08 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 1k50 h TYR 34 CO -0.02 0.78 0.23 0.00 -1.05 0.00 0.00 178.16 178.10 1k50 h ALA 35 N 1.13 1.27 -0.16 3.88 0.00 -0.84 -0.17 119.26 124.38 1k50 h ALA 35 Ca 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1k50 h ALA 35 Cb 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1k50 h ALA 35 CO -0.02 0.53 -0.05 -0.92 0.00 0.00 0.00 179.25 178.79 1k50 h TYR 36 N 0.87 0.35 -0.69 0.00 3.20 -0.59 -2.69 116.97 117.43 1k50 h TYR 36 Ca 0.20 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1k50 h TYR 36 Cb 0.19 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1k50 h TYR 36 CO 0.01 0.60 0.46 0.00 -1.64 0.00 0.00 178.16 177.59 1k50 h ALA 37 N 0.70 1.63 0.00 1.82 0.00 -1.04 -1.68 119.26 120.68 1k50 h ALA 37 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1k50 h ALA 37 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1k50 h ALA 37 CO 0.02 0.30 -0.24 -0.44 0.00 0.00 0.00 179.25 178.89 1k50 h ASP 38 N 0.82 0.00 0.77 0.00 3.32 -0.70 -2.35 116.42 118.28 1k50 h ASP 38 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1k50 h ASP 38 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1k50 h ASP 38 CO -0.08 0.24 0.00 0.35 -1.72 0.00 0.00 179.24 178.03 1k50 n THR 39 N -4.15 0.82 1.11 0.35 -2.24 -0.63 -2.27 114.28 107.26 1k50 n THR 39 Ca -0.02 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1k50 n THR 39 Cb 0.30 -1.10 0.16 0.00 -2.10 0.00 0.00 70.33 67.59 1k50 n THR 39 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k50 n LEU 40 N -2.17 1.83 0.15 3.22 4.77 -0.88 -4.39 117.00 119.53 1k50 n LEU 40 Ca 0.03 -0.63 0.02 0.00 -0.03 0.00 0.00 56.01 55.39 1k50 n LEU 40 Cb 0.24 -0.03 0.35 0.00 -2.33 0.00 0.00 43.42 41.64 1k50 n LEU 40 CO 0.20 0.33 0.77 0.11 -1.33 0.00 0.00 177.39 177.47 1k50 h LYS 41 N 2.38 0.12 0.18 3.23 1.57 -1.48 0.02 116.57 122.59 1k50 h LYS 41 Ca 0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1k50 h LYS 41 Cb 0.70 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1k50 h LYS 41 CO 0.00 0.41 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.82 1k50 h LYS 42 N 0.10 -0.47 0.00 3.15 3.64 -1.78 0.12 116.57 121.33 1k50 h LYS 42 Ca 0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1k50 h LYS 42 Cb 0.59 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1k50 h LYS 42 CO 0.04 -0.32 -0.76 -0.44 -2.27 0.00 0.00 179.45 175.70 1k50 h ASP 43 N -0.49 0.00 -0.00 4.20 3.32 -1.86 -3.40 116.42 118.19 1k50 h ASP 43 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1k50 h ASP 43 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1k50 h ASP 43 CO -0.10 0.09 -0.14 0.59 -1.72 0.00 0.00 179.24 177.96 1k50 n ASN 44 N -2.27 0.44 0.00 6.45 3.02 -0.01 -5.13 115.26 117.76 1k50 n ASN 44 Ca 0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1k50 n ASN 44 Cb 0.47 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 1k50 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k50 n GLY 45 N 0.90 0.27 3.77 7.41 0.00 0.40 -4.83 105.19 113.11 1k50 n GLY 45 Ca 0.01 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1k50 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k50 s GLU 46 N -1.35 2.68 0.17 1.61 0.41 -1.26 -4.34 118.70 116.62 1k50 s GLU 46 Ca 0.00 1.38 0.09 0.00 -0.41 0.00 0.00 54.97 56.03 1k50 s GLU 46 Cb 0.00 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.37 1k50 s GLU 46 CO 0.00 -1.34 -0.19 1.67 -0.49 0.00 0.00 175.26 174.91 1k50 s TRP 47 N -2.40 1.91 0.29 1.61 1.48 -1.26 -5.09 118.94 115.48 1k50 s TRP 47 Ca 0.66 -0.45 0.06 0.00 -1.06 0.00 0.00 56.10 55.32 1k50 s TRP 47 Cb -0.20 -0.95 -0.06 0.00 -1.16 0.00 0.00 33.47 31.10 1k50 s TRP 47 CO 0.44 0.37 -0.04 0.95 -4.06 0.00 0.00 176.95 174.60 1k50 s THR 48 N -1.98 1.63 0.18 0.66 -4.23 -1.26 -5.17 115.64 105.47 1k50 s THR 48 Ca 0.17 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1k50 s THR 48 Cb -0.06 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1k50 s THR 48 CO 0.07 -0.24 0.28 0.00 -0.54 0.00 0.00 174.62 174.19 1k50 s ALA 49 N -3.02 0.15 0.11 3.99 0.00 -1.26 -5.09 121.76 116.65 1k50 s ALA 49 Ca 0.31 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1k50 s ALA 49 Cb 0.05 0.95 0.05 0.00 0.00 0.00 0.00 23.12 24.16 1k50 s ALA 49 CO 0.13 -0.66 0.47 0.16 0.00 0.00 0.00 175.76 175.86 1k50 s ASP 50 N -3.00 -0.35 0.00 0.00 1.47 -1.26 -5.17 116.67 108.37 1k50 s ASP 50 Ca 0.21 -0.14 0.06 0.00 1.18 0.00 0.00 52.55 53.87 1k50 s ASP 50 Cb 0.03 0.50 -0.03 0.00 -0.34 0.00 0.00 42.92 43.09 1k50 s ASP 50 CO 0.03 -0.84 -0.19 -0.69 0.68 0.00 0.00 175.17 174.15 1k50 s VAL 51 N -3.46 2.66 0.29 2.11 1.01 -1.26 -5.10 120.40 116.65 1k50 s VAL 51 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 1k50 s VAL 51 Cb 0.01 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1k50 s VAL 51 CO -0.10 0.46 0.41 0.00 0.00 0.00 0.00 175.10 175.87 1k50 n ALA 52 N 1.95 -0.34 -3.66 5.51 0.00 -1.26 -5.02 120.51 117.69 1k50 n ALA 52 Ca -0.16 -1.32 -0.28 0.00 0.00 0.00 0.00 53.44 51.68 1k50 n ALA 52 Cb 0.52 1.06 0.04 0.00 0.00 0.00 0.00 19.45 21.07 1k50 n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k50 n ASP 53 N -1.70 -4.32 -4.74 0.00 8.00 -1.26 -4.92 116.55 107.61 1k50 n ASP 53 Ca 0.00 -0.95 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 1k50 n ASP 53 Cb 0.48 -3.65 -0.02 0.00 -0.02 0.00 0.00 41.12 37.91 1k50 n ASP 53 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1k50 s LYS 54 N -5.86 4.19 0.25 -1.24 2.20 -1.26 -4.99 119.74 113.02 1k50 s LYS 54 Ca 0.35 2.45 -0.14 0.00 -0.36 0.00 0.00 55.97 58.27 1k50 s LYS 54 Cb -0.11 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1k50 s LYS 54 CO 0.84 -0.56 0.52 0.20 -0.36 0.00 0.00 175.35 175.99 1k50 s GLY 55 N 0.61 0.39 0.03 5.54 0.00 -1.26 -5.18 107.32 107.45 1k50 s GLY 55 Ca 0.64 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 1k50 s GLY 55 CO 0.42 -0.52 0.01 -0.19 0.00 0.00 0.00 173.10 172.83 1k50 s TYR 56 N -3.99 0.26 -0.22 1.90 1.51 -1.26 -5.08 117.35 110.46 1k50 s TYR 56 Ca 0.20 -0.56 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1k50 s TYR 56 Cb -0.02 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 1k50 s TYR 56 CO 0.08 -0.26 -0.01 0.99 -1.11 0.00 0.00 175.55 175.23 1k50 s THR 57 N -2.05 3.66 -0.30 -0.71 2.01 -1.26 -5.07 115.64 111.92 1k50 s THR 57 Ca -0.10 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1k50 s THR 57 Cb -0.05 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 1k50 s THR 57 CO -0.03 0.40 0.12 -0.22 -0.69 0.00 0.00 174.62 174.21 1k50 s LEU 58 N 1.44 3.98 -0.20 4.42 2.96 -1.26 -5.07 118.68 124.95 1k50 s LEU 58 Ca 0.05 -0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 53.19 1k50 s LEU 58 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1k50 s LEU 58 CO -0.01 -0.19 0.45 0.20 -1.32 0.00 0.00 176.35 175.48 1k50 s ASN 59 N 1.56 6.49 -0.25 3.68 0.01 -1.26 -5.05 114.94 120.13 1k50 s ASN 59 Ca 0.04 0.59 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 1k50 s ASN 59 Cb -0.17 -2.26 0.05 0.00 0.41 0.00 0.00 41.25 39.28 1k50 s ASN 59 CO 0.04 -0.12 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.78 1k50 s ILE 60 N 1.44 2.34 -0.19 0.60 1.01 -1.26 -5.11 121.20 120.04 1k50 s ILE 60 Ca 0.21 -1.39 -0.06 0.00 0.00 0.00 0.00 60.65 59.41 1k50 s ILE 60 Cb -0.15 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1k50 s ILE 60 CO 0.09 0.10 0.04 -0.75 0.00 0.00 0.00 174.94 174.41 1k50 s LYS 61 N 1.19 3.83 0.12 2.79 2.20 -1.26 -5.10 119.74 123.51 1k50 s LYS 61 Ca -0.05 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 55.01 1k50 s LYS 61 Cb -0.18 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 1k50 s LYS 61 CO -0.06 0.18 0.51 -0.06 -0.36 0.00 0.00 175.35 175.55 1k50 s PHE 62 N 0.60 3.61 -0.69 4.03 0.40 -1.26 -4.98 117.98 119.69 1k50 s PHE 62 Ca 0.02 1.00 0.25 0.00 -0.60 0.00 0.00 56.93 57.60 1k50 s PHE 62 Cb -0.13 -2.32 0.67 0.00 0.51 0.00 0.00 43.02 41.74 1k50 s PHE 62 CO 0.02 0.47 1.65 0.00 0.70 0.00 0.00 175.22 178.05 1k50 h ALA 63 N 3.69 0.89 0.00 5.36 0.00 -2.08 -3.58 119.26 123.54 1k50 h ALA 63 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k50 h ALA 63 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k50 h ALA 63 CO 0.66 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.32