#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl3 s PHE 2 N 0.00 2.31 0.14 2.03 0.40 -1.26 -4.47 117.98 117.13 1yl3 s PHE 2 Ca 0.00 -1.31 0.06 0.00 -0.60 0.00 0.00 56.93 55.08 1yl3 s PHE 2 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1yl3 s PHE 2 CO 0.00 -0.69 -0.14 0.00 0.70 0.00 0.00 175.22 175.09 1yl3 s ALA 3 N 1.41 1.61 -0.32 5.36 0.00 -0.14 -4.31 121.76 125.36 1yl3 s ALA 3 Ca 0.04 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1yl3 s ALA 3 Cb -0.13 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.02 1yl3 s ALA 3 CO -0.11 0.08 0.03 0.42 0.00 0.00 0.00 175.76 176.18 1yl3 s ILE 4 N -2.43 2.03 0.00 0.00 1.01 -0.17 -1.04 121.20 120.60 1yl3 s ILE 4 Ca 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.70 1yl3 s ILE 4 Cb -0.03 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1yl3 s ILE 4 CO 0.03 -0.52 0.00 -0.38 0.00 0.00 0.00 174.94 174.08 1yl3 n ILE 5 N 4.38 0.00 0.00 2.92 -0.00 -1.26 -1.30 119.36 124.09 1yl3 n ILE 5 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.80 1yl3 n ILE 5 Cb 0.42 -0.74 0.00 0.00 -0.00 0.00 0.00 39.64 39.33 1yl3 n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1yl3 n GLN 6 N -1.27 0.00 -3.63 0.38 1.13 -1.26 -4.09 117.38 108.64 1yl3 n GLN 6 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 1yl3 n GLN 6 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 1yl3 n GLN 6 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1yl3 s THR 7 N -2.52 -0.14 -0.09 5.09 -4.23 -1.25 -4.67 115.64 107.83 1yl3 s THR 7 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1yl3 s THR 7 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1yl3 s THR 7 CO 0.00 0.00 0.03 0.61 -0.54 0.00 0.00 174.62 174.72 1yl3 n GLY 8 N 4.34 -0.04 0.00 3.99 0.00 -1.26 -4.00 105.19 108.23 1yl3 n GLY 8 Ca -0.18 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yl3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yl3 n GLY 9 N -1.05 0.78 0.06 -0.02 0.00 -1.26 -4.97 105.19 98.72 1yl3 n GLY 9 Ca -0.01 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 1yl3 n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yl3 h LYS 10 N 8.29 0.00 -2.98 1.61 1.57 -1.94 -3.43 116.57 119.68 1yl3 h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yl3 h LYS 10 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1yl3 h LYS 10 CO 0.00 0.08 0.00 1.04 -0.57 0.00 0.00 179.45 180.00 1yl3 n GLN 11 N -4.74 -1.95 -4.34 3.15 6.02 -1.26 -3.75 117.38 110.51 1yl3 n GLN 11 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.73 1yl3 n GLN 11 Cb 0.08 -2.41 -0.13 0.00 1.02 0.00 0.00 30.24 28.80 1yl3 n GLN 11 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yl3 s TYR 12 N -1.03 1.71 0.00 1.08 5.04 -1.26 -4.89 117.35 117.99 1yl3 s TYR 12 Ca 0.00 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1yl3 s TYR 12 Cb 0.00 -0.95 0.00 0.00 0.35 0.00 0.00 41.96 41.36 1yl3 s TYR 12 CO 0.00 0.16 0.00 0.54 -1.34 0.00 0.00 175.55 174.91 1yl3 n ARG 13 N 1.28 0.00 -3.98 4.97 5.12 -1.26 -4.92 116.66 117.87 1yl3 n ARG 13 Ca -0.19 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 1yl3 n ARG 13 Cb 0.54 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.80 1yl3 n ARG 13 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1yl3 s VAL 14 N 0.00 0.00 0.12 1.55 1.01 -0.21 -4.99 120.40 117.89 1yl3 s VAL 14 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1yl3 s VAL 14 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1yl3 s VAL 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 1yl3 n SER 15 N -0.65 -1.00 0.00 3.32 3.41 -1.26 -0.97 113.62 116.47 1yl3 n SER 15 Ca -0.02 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1yl3 n SER 15 Cb 0.61 1.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 1yl3 n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yl3 n GLU 16 N -2.77 0.40 -1.73 4.33 1.02 -1.25 -3.56 120.64 117.08 1yl3 n GLU 16 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1yl3 n GLU 16 Cb 0.00 -0.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.74 1yl3 n GLU 16 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yl3 s GLY 17 N -2.11 -0.74 -0.27 0.62 0.00 -1.26 -3.37 107.32 100.20 1yl3 s GLY 17 Ca 0.00 -1.57 -0.24 0.00 0.00 0.00 0.00 44.72 42.91 1yl3 s GLY 17 CO 0.00 4.08 1.09 2.09 0.00 0.00 0.00 173.10 180.36 1yl3 n ASP 18 N 18.10 0.45 -4.29 1.64 5.75 -1.26 -4.79 116.55 132.14 1yl3 n ASP 18 Ca 0.43 0.42 -0.45 0.00 -0.01 0.00 0.00 54.79 55.17 1yl3 n ASP 18 Cb 0.46 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 1yl3 n ASP 18 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1yl3 s VAL 19 N 2.91 5.06 0.02 2.12 1.01 -1.23 -4.90 120.40 125.39 1yl3 s VAL 19 Ca 0.63 -1.63 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1yl3 s VAL 19 Cb -0.80 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.31 1yl3 s VAL 19 CO 0.37 -0.87 0.04 -0.38 0.00 0.00 0.00 175.10 174.26 1yl3 n ILE 20 N 5.08 0.16 -3.93 2.22 5.41 -1.26 -4.72 119.36 122.32 1yl3 n ILE 20 Ca -0.11 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.49 1yl3 n ILE 20 Cb 0.41 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.22 1yl3 n ILE 20 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1yl3 s ARG 21 N -0.10 0.22 0.44 0.38 1.81 -0.95 -4.97 118.95 115.78 1yl3 s ARG 21 Ca 0.06 -0.37 -0.12 0.00 -1.72 0.00 0.00 55.73 53.58 1yl3 s ARG 21 Cb -0.08 0.08 -0.09 0.00 -0.45 0.00 0.00 34.95 34.41 1yl3 s ARG 21 CO 0.06 -0.04 -0.68 0.28 -0.68 0.00 0.00 175.30 174.24 1yl3 n VAL 22 N 2.12 0.00 -2.75 3.52 0.31 -1.26 -2.44 118.33 117.82 1yl3 n VAL 22 Ca -0.20 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 1yl3 n VAL 22 Cb 0.57 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.44 1yl3 n VAL 22 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1yl3 s GLU 23 N -0.88 4.36 -0.45 5.55 2.02 -1.25 -3.93 118.70 124.11 1yl3 s GLU 23 Ca 0.16 1.28 0.07 0.00 0.02 0.00 0.00 54.97 56.49 1yl3 s GLU 23 Cb 0.04 -2.50 0.31 0.00 0.10 0.00 0.00 34.13 32.09 1yl3 s GLU 23 CO 0.29 0.07 1.05 -1.13 0.02 0.00 0.00 175.26 175.56 1yl3 n SER 24 N -0.05 -2.04 -4.54 -0.19 3.41 -1.26 -5.04 113.62 103.90 1yl3 n SER 24 Ca 0.05 -3.58 -0.29 0.00 -0.26 0.00 0.00 58.87 54.79 1yl3 n SER 24 Cb 0.52 1.63 -0.06 0.00 -0.26 0.00 0.00 64.21 66.03 1yl3 n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yl3 n LEU 25 N 0.50 3.11 0.00 1.04 4.77 -1.26 -2.40 117.00 122.76 1yl3 n LEU 25 Ca 0.09 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1yl3 n LEU 25 Cb 0.69 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1yl3 n LEU 25 CO 0.06 -1.78 0.00 0.00 -1.33 0.00 0.00 177.39 174.34 1yl3 n GLN 26 N 8.22 0.00 -0.02 3.23 6.02 -1.26 -4.93 117.38 128.64 1yl3 n GLN 26 Ca 0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.43 1yl3 n GLN 26 Cb 0.46 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.69 1yl3 n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yl3 n GLY 27 N -0.59 -0.19 0.00 1.08 0.00 -1.13 -4.96 105.19 99.39 1yl3 n GLY 27 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1yl3 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yl3 n GLU 28 N -2.08 3.05 0.00 1.61 1.02 -1.01 -3.15 120.64 120.08 1yl3 n GLU 28 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1yl3 n GLU 28 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1yl3 n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yl3 n ALA 29 N -3.00 0.00 -1.40 0.62 0.00 -1.26 -4.66 120.51 110.81 1yl3 n ALA 29 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1yl3 n ALA 29 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1yl3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yl3 n GLY 30 N 0.00 -0.17 0.00 0.00 0.00 -1.19 -4.85 105.19 98.98 1yl3 n GLY 30 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.10 1yl3 n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yl3 n ASP 31 N 9.68 0.00 -4.52 1.61 9.92 -1.26 -4.12 116.55 127.86 1yl3 n ASP 31 Ca 0.56 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.58 1yl3 n ASP 31 Cb 0.07 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.38 1yl3 n ASP 31 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1yl3 n LYS 32 N 0.00 0.19 -4.31 -1.24 5.02 -1.08 -4.17 118.16 112.58 1yl3 n LYS 32 Ca 0.00 -0.19 -0.16 0.00 -2.02 0.00 0.00 58.31 55.94 1yl3 n LYS 32 Cb 0.00 -1.85 -0.10 0.00 -0.02 0.00 0.00 35.03 33.06 1yl3 n LYS 32 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yl3 s VAL 33 N 5.68 1.04 -0.13 -0.18 1.01 -0.48 -4.85 120.40 122.49 1yl3 s VAL 33 Ca 1.22 -2.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1yl3 s VAL 33 Cb -0.72 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1yl3 s VAL 33 CO 0.43 -0.41 0.05 -1.61 0.00 0.00 0.00 175.10 173.56 1yl3 s GLU 34 N -3.84 3.42 -0.02 2.72 2.02 -1.26 -0.46 118.70 121.28 1yl3 s GLU 34 Ca 0.26 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 1yl3 s GLU 34 Cb 0.05 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1yl3 s GLU 34 CO 0.07 0.58 0.07 -0.51 0.02 0.00 0.00 175.26 175.48 1yl3 s LEU 35 N -0.50 1.77 -0.17 1.80 1.43 -0.12 -4.92 118.68 117.98 1yl3 s LEU 35 Ca 0.10 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 1yl3 s LEU 35 Cb -0.12 0.28 -0.03 0.00 0.03 0.00 0.00 46.19 46.34 1yl3 s LEU 35 CO 0.02 -0.10 0.54 -0.54 0.23 0.00 0.00 176.35 176.50 1yl3 s LYS 36 N -0.31 4.25 -0.10 1.70 1.02 -1.25 -0.94 119.74 124.11 1yl3 s LYS 36 Ca -0.04 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.47 1yl3 s LYS 36 Cb -0.03 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1yl3 s LYS 36 CO 0.00 -0.06 -0.18 0.00 -0.92 0.00 0.00 175.35 174.19 1yl3 s ALA 37 N 1.33 1.84 0.21 5.17 0.00 0.11 -4.97 121.76 125.46 1yl3 s ALA 37 Ca 0.26 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1yl3 s ALA 37 Cb -0.16 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.07 1yl3 s ALA 37 CO 0.10 0.07 1.24 -0.51 0.00 0.00 0.00 175.76 176.66 1yl3 s LEU 38 N 0.72 4.44 0.00 0.00 1.43 -1.26 -1.40 118.68 122.61 1yl3 s LEU 38 Ca -0.12 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1yl3 s LEU 38 Cb -0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1yl3 s LEU 38 CO 0.02 -0.42 0.00 0.33 0.23 0.00 0.00 176.35 176.51 1yl3 n PHE 39 N 2.29 -1.73 0.00 0.29 -0.00 -0.52 -4.45 117.46 113.33 1yl3 n PHE 39 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1yl3 n PHE 39 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 1yl3 n PHE 39 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1yl3 n VAL 40 N -1.18 0.00 -2.67 -2.13 0.24 -1.25 -4.17 118.33 107.17 1yl3 n VAL 40 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 1yl3 n VAL 40 Cb 0.00 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.41 1yl3 n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yl3 n GLY 41 N 0.00 -0.03 3.56 7.63 0.00 -0.42 -4.38 105.19 111.55 1yl3 n GLY 41 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1yl3 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yl3 s GLY 42 N -0.56 0.38 -0.32 -0.02 0.00 -1.26 -1.00 107.32 104.53 1yl3 s GLY 42 Ca 0.11 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.39 1yl3 s GLY 42 CO -0.05 3.32 0.07 1.85 0.00 0.00 0.00 173.10 178.28 1yl3 s GLU 43 N 6.65 1.13 -0.07 2.90 2.12 -1.26 -1.46 118.70 128.71 1yl3 s GLU 43 Ca 0.64 -1.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 1yl3 s GLU 43 Cb -0.07 -2.62 0.04 0.00 0.26 0.00 0.00 34.13 31.74 1yl3 s GLU 43 CO 0.02 -0.95 0.15 -0.65 -0.54 0.00 0.00 175.26 173.30 1yl3 s GLN 44 N 1.25 0.10 -1.46 4.30 1.11 -0.29 -4.04 119.66 120.63 1yl3 s GLN 44 Ca 0.10 0.38 -0.14 0.00 0.01 0.00 0.00 55.36 55.70 1yl3 s GLN 44 Cb -0.18 -0.18 0.12 0.00 -1.01 0.00 0.00 33.01 31.76 1yl3 s GLN 44 CO -0.16 -0.17 0.63 0.25 0.01 0.00 0.00 175.29 175.85 1yl3 n THR 45 N 4.22 -0.93 -2.43 -0.19 -2.24 -1.26 -2.22 114.28 109.23 1yl3 n THR 45 Ca -0.26 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 1yl3 n THR 45 Cb 0.52 -1.63 0.02 0.00 -2.10 0.00 0.00 70.33 67.14 1yl3 n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1yl3 n VAL 46 N -4.10 -1.29 -3.65 2.28 0.31 -1.26 -5.07 118.33 105.55 1yl3 n VAL 46 Ca 0.04 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 1yl3 n VAL 46 Cb 0.51 -2.89 -0.06 0.00 -0.91 0.00 0.00 33.84 30.49 1yl3 n VAL 46 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1yl3 s PHE 47 N -3.08 -1.18 0.08 3.52 0.40 -0.94 -5.17 117.98 111.61 1yl3 s PHE 47 Ca 0.03 2.11 0.06 0.00 -0.60 0.00 0.00 56.93 58.53 1yl3 s PHE 47 Cb -0.01 0.67 -0.03 0.00 0.51 0.00 0.00 43.02 44.15 1yl3 s PHE 47 CO 0.18 -0.61 -0.15 0.20 0.70 0.00 0.00 175.22 175.54 1yl3 s GLY 48 N 2.69 0.94 0.26 4.36 0.00 -1.25 -1.14 107.32 113.18 1yl3 s GLY 48 Ca -0.05 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1yl3 s GLY 48 CO -0.18 -1.10 0.16 -0.54 0.00 0.00 0.00 173.10 171.44 1yl3 s GLU 49 N -1.88 1.43 0.60 2.90 8.01 -0.54 -5.01 118.70 124.21 1yl3 s GLU 49 Ca 0.00 -1.79 -0.20 0.00 0.01 0.00 0.00 54.97 52.99 1yl3 s GLU 49 Cb -0.09 0.09 -0.03 0.00 -4.31 0.00 0.00 34.13 29.79 1yl3 s GLU 49 CO 0.03 -0.43 1.34 -0.25 0.01 0.00 0.00 175.26 175.95 1yl3 n ASP 50 N -0.68 2.44 0.24 -0.19 8.00 -1.26 -4.40 116.55 120.70 1yl3 n ASP 50 Ca 0.02 0.91 0.17 0.00 0.71 0.00 0.00 54.79 56.60 1yl3 n ASP 50 Cb 0.65 -1.57 0.80 0.00 -0.02 0.00 0.00 41.12 40.98 1yl3 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yl3 h ALA 51 N 1.01 1.00 0.06 2.24 0.00 -1.97 -0.35 119.26 121.24 1yl3 h ALA 51 Ca -0.51 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.03 1yl3 h ALA 51 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1yl3 h ALA 51 CO 0.55 0.00 -2.12 0.41 0.00 0.00 0.00 179.25 178.09 1yl3 n GLY 52 N -0.65 -0.51 0.36 0.00 0.00 -1.26 -0.86 105.19 102.26 1yl3 n GLY 52 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1yl3 n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yl3 n LYS 53 N -3.58 -0.17 0.00 1.61 5.02 -0.34 -1.14 118.16 119.56 1yl3 n LYS 53 Ca -0.38 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1yl3 n LYS 53 Cb 0.98 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1yl3 n LYS 53 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1yl3 n TYR 54 N -5.47 0.00 0.00 2.13 0.53 -0.29 -4.51 117.16 109.54 1yl3 n TYR 54 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 1yl3 n TYR 54 Cb 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 1yl3 n TYR 54 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1yl3 n THR 55 N -0.69 0.00 0.00 -0.72 -2.24 -0.04 -2.48 114.28 108.11 1yl3 n THR 55 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1yl3 n THR 55 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1yl3 n THR 55 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1yl3 n VAL 56 N 0.00 0.00 -3.50 2.28 0.31 -1.26 -4.92 118.33 111.24 1yl3 n VAL 56 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1yl3 n VAL 56 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1yl3 n VAL 56 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1yl3 n GLN 57 N 0.00 2.40 0.00 5.55 7.27 -1.04 -5.00 117.38 126.56 1yl3 n GLN 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1yl3 n GLN 57 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1yl3 n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1yl3 n ALA 58 N -3.00 0.00 -3.00 1.69 0.00 -1.26 -1.44 120.51 113.51 1yl3 n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yl3 n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yl3 n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yl3 n GLU 59 N 0.00 0.00 -3.74 0.00 1.02 -0.49 -3.98 120.64 113.44 1yl3 n GLU 59 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1yl3 n GLU 59 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1yl3 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1yl3 s VAL 60 N -2.88 0.07 0.23 2.62 1.01 -0.48 -0.71 120.40 120.27 1yl3 s VAL 60 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1yl3 s VAL 60 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1yl3 s VAL 60 CO 0.00 -0.34 0.02 -0.69 0.00 0.00 0.00 175.10 174.09 1yl3 s VAL 61 N -2.33 0.89 -0.28 2.92 1.01 -0.11 -0.70 120.40 121.81 1yl3 s VAL 61 Ca -0.06 -2.02 -0.13 0.00 0.00 0.00 0.00 61.98 59.77 1yl3 s VAL 61 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1yl3 s VAL 61 CO -0.02 -0.27 0.27 -1.61 0.00 0.00 0.00 175.10 173.47 1yl3 s GLU 62 N -3.91 3.96 0.13 2.72 2.02 -0.30 -0.94 118.70 122.38 1yl3 s GLU 62 Ca 0.30 -0.17 -0.31 0.00 0.02 0.00 0.00 54.97 54.80 1yl3 s GLU 62 Cb 0.06 -3.67 -0.10 0.00 0.10 0.00 0.00 34.13 30.52 1yl3 s GLU 62 CO 0.09 -0.24 1.79 -1.01 0.02 0.00 0.00 175.26 175.92 1yl3 s HIS 63 N 1.90 2.30 0.00 1.61 3.76 0.39 -0.83 115.29 124.42 1yl3 s HIS 63 Ca 0.11 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1yl3 s HIS 63 Cb -0.16 -4.15 0.00 0.00 1.11 0.00 0.00 32.58 29.38 1yl3 s HIS 63 CO 0.11 -4.67 0.00 0.41 -0.85 0.00 0.00 174.74 169.73 1yl3 n GLY 64 N 4.17 0.00 3.29 -2.22 0.00 0.30 -1.38 105.19 109.35 1yl3 n GLY 64 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1yl3 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yl3 s ARG 65 N -1.56 1.01 -0.46 1.61 0.52 -0.22 -4.76 118.95 115.09 1yl3 s ARG 65 Ca 0.00 -0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 54.22 1yl3 s ARG 65 Cb 0.00 0.41 0.10 0.00 0.52 0.00 0.00 34.95 35.98 1yl3 s ARG 65 CO 0.00 -0.37 0.33 0.20 0.02 0.00 0.00 175.30 175.48 1yl3 s GLY 66 N -2.86 2.02 -0.41 -3.53 0.00 -1.26 -0.90 107.32 100.38 1yl3 s GLY 66 Ca 0.06 -2.39 -0.22 0.00 0.00 0.00 0.00 44.72 42.17 1yl3 s GLY 66 CO -0.09 1.07 0.75 0.54 0.00 0.00 0.00 173.10 175.36 1yl3 s LYS 67 N 1.41 3.52 -0.88 2.90 1.02 0.14 -4.98 119.74 122.87 1yl3 s LYS 67 Ca 0.05 -0.00 -0.22 0.00 0.02 0.00 0.00 55.97 55.81 1yl3 s LYS 67 Cb -0.25 -3.89 0.08 0.00 -0.52 0.00 0.00 37.83 33.25 1yl3 s LYS 67 CO 0.01 -0.98 1.23 0.21 -0.92 0.00 0.00 175.35 174.89 1yl3 s LYS 68 N 3.11 3.44 0.00 1.68 2.20 -1.26 -1.10 119.74 127.81 1yl3 s LYS 68 Ca 0.29 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1yl3 s LYS 68 Cb -0.13 -4.82 0.00 0.00 -1.51 0.00 0.00 37.83 31.37 1yl3 s LYS 68 CO 0.20 -1.98 0.00 -0.89 -0.36 0.00 0.00 175.35 172.31 1yl3 n ILE 69 N 6.18 -0.57 -1.92 5.43 -0.00 -0.29 -4.57 119.36 123.62 1yl3 n ILE 69 Ca 0.18 0.13 -0.43 0.00 -0.00 0.00 0.00 62.75 62.63 1yl3 n ILE 69 Cb 0.49 -0.91 -0.03 0.00 -0.00 0.00 0.00 39.64 39.19 1yl3 n ILE 69 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1yl3 s TYR 70 N -0.25 1.70 0.00 1.39 1.51 -1.26 -4.79 117.35 115.64 1yl3 s TYR 70 Ca 0.00 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.62 1yl3 s TYR 70 Cb 0.00 -4.08 0.00 0.00 -0.11 0.00 0.00 41.96 37.77 1yl3 s TYR 70 CO 0.00 -3.26 0.00 -0.89 -1.11 0.00 0.00 175.55 170.29 1yl3 n ILE 71 N 7.32 0.00 -3.17 2.71 2.08 -1.26 -4.99 119.36 122.05 1yl3 n ILE 71 Ca 0.24 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.60 1yl3 n ILE 71 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.33 1yl3 n ILE 71 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1yl3 s ARG 72 N 0.00 0.10 0.08 0.38 0.52 -1.26 -4.99 118.95 113.78 1yl3 s ARG 72 Ca 0.00 0.19 -0.23 0.00 -0.52 0.00 0.00 55.73 55.17 1yl3 s ARG 72 Cb 0.00 0.11 -0.07 0.00 0.52 0.00 0.00 34.95 35.51 1yl3 s ARG 72 CO 0.00 -0.09 0.69 0.15 0.02 0.00 0.00 175.30 176.07 1yl3 s LYS 73 N 2.81 4.41 -0.39 3.54 1.02 -1.26 -0.89 119.74 128.99 1yl3 s LYS 73 Ca -0.05 0.96 -0.06 0.00 0.02 0.00 0.00 55.97 56.84 1yl3 s LYS 73 Cb -0.08 -3.29 0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1yl3 s LYS 73 CO -0.10 0.49 0.18 0.71 -0.92 0.00 0.00 175.35 175.71 1yl3 s TYR 74 N -0.71 3.40 -0.45 3.18 4.12 0.11 -4.95 117.35 122.04 1yl3 s TYR 74 Ca 0.34 -1.86 -0.17 0.00 0.02 0.00 0.00 57.07 55.40 1yl3 s TYR 74 Cb -0.21 -2.84 0.04 0.00 -1.52 0.00 0.00 41.96 37.44 1yl3 s TYR 74 CO 0.22 -0.87 0.45 0.15 0.02 0.00 0.00 175.55 175.52 1yl3 s LYS 75 N 1.31 3.05 -0.60 -0.62 -0.14 -1.26 -1.17 119.74 120.31 1yl3 s LYS 75 Ca 0.03 -0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 53.43 1yl3 s LYS 75 Cb -0.22 -4.04 0.06 0.00 -1.68 0.00 0.00 37.83 31.95 1yl3 s LYS 75 CO -0.00 -0.97 0.89 -1.54 -0.76 0.00 0.00 175.35 172.96 1yl3 s SER 76 N 2.21 6.24 0.02 2.83 1.04 0.05 -5.00 113.70 121.08 1yl3 s SER 76 Ca 0.10 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1yl3 s SER 76 Cb -0.20 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1yl3 s SER 76 CO 0.11 -1.27 -0.03 -0.83 0.98 0.00 0.00 173.24 172.20 1yl3 s GLY 77 N 3.25 0.27 -0.29 7.32 0.00 -1.26 -0.97 107.32 115.64 1yl3 s GLY 77 Ca 0.23 -0.62 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 1yl3 s GLY 77 CO 0.13 -0.68 0.72 -1.34 0.00 0.00 0.00 173.10 171.93 1yl3 s VAL 78 N -1.48 -0.49 0.08 1.40 -7.23 -0.21 -5.00 120.40 107.46 1yl3 s VAL 78 Ca -0.15 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.02 1yl3 s VAL 78 Cb -0.10 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.96 1yl3 s VAL 78 CO -0.01 0.00 0.41 0.00 -0.31 0.00 0.00 175.10 175.19 1yl3 n GLN 79 N 4.84 -0.02 -0.16 4.82 6.02 -1.26 -1.55 117.38 130.07 1yl3 n GLN 79 Ca -0.15 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1yl3 n GLN 79 Cb 0.54 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.17 1yl3 n GLN 79 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1yl3 n TYR 80 N -4.20 0.00 -2.39 1.08 4.02 -1.26 -4.23 117.16 110.18 1yl3 n TYR 80 Ca 0.06 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1yl3 n TYR 80 Cb 0.19 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.21 1yl3 n TYR 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1yl3 n ARG 81 N 2.46 -1.03 -4.03 -0.72 1.74 -1.14 -4.83 116.66 109.12 1yl3 n ARG 81 Ca 0.00 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 1yl3 n ARG 81 Cb 0.00 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 29.57 1yl3 n ARG 81 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1yl3 s ARG 82 N -3.06 2.71 -0.09 5.56 0.52 -0.59 -5.05 118.95 118.95 1yl3 s ARG 82 Ca 0.26 -1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 54.39 1yl3 s ARG 82 Cb -0.15 -2.86 0.05 0.00 0.52 0.00 0.00 34.95 32.51 1yl3 s ARG 82 CO 0.32 -0.40 0.18 1.03 0.02 0.00 0.00 175.30 176.45 1yl3 s ARG 83 N 1.25 0.08 0.24 3.54 0.52 -1.25 -1.04 118.95 122.29 1yl3 s ARG 83 Ca -0.01 0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 55.56 1yl3 s ARG 83 Cb -0.17 -0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.13 1yl3 s ARG 83 CO -0.07 -0.25 0.58 0.95 0.02 0.00 0.00 175.30 176.53 1yl3 s THR 84 N 1.91 0.01 -0.03 0.02 -4.23 -0.15 -5.03 115.64 108.14 1yl3 s THR 84 Ca -0.02 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.19 1yl3 s THR 84 Cb -0.12 -1.88 0.08 0.00 1.34 0.00 0.00 72.50 71.92 1yl3 s THR 84 CO -0.07 -0.04 0.73 -0.83 -0.54 0.00 0.00 174.62 173.87 1yl3 s GLY 85 N -2.93 -0.53 0.09 3.99 0.00 -1.26 -0.77 107.32 105.91 1yl3 s GLY 85 Ca 0.13 1.30 -0.19 0.00 0.00 0.00 0.00 44.72 45.96 1yl3 s GLY 85 CO 0.04 0.83 0.47 0.30 0.00 0.00 0.00 173.10 174.73 1yl3 s HIS 86 N -1.62 -0.33 0.12 1.90 3.76 -0.32 -5.00 115.29 113.80 1yl3 s HIS 86 Ca -0.07 0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.06 1yl3 s HIS 86 Cb -0.00 0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.97 1yl3 s HIS 86 CO 0.05 -0.69 0.07 1.03 -0.85 0.00 0.00 174.74 174.35 1yl3 s ARG 87 N -3.19 2.76 0.00 1.40 0.52 -1.26 -0.71 118.95 118.46 1yl3 s ARG 87 Ca -0.01 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1yl3 s ARG 87 Cb 0.00 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1yl3 s ARG 87 CO -0.08 0.52 0.00 1.04 0.02 0.00 0.00 175.30 176.81 1yl3 n GLN 88 N 0.17 0.00 0.00 3.54 1.13 -0.06 -4.93 117.38 117.23 1yl3 n GLN 88 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1yl3 n GLN 88 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.88 1yl3 n GLN 88 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1yl3 n ASN 89 N 0.00 0.00 0.00 1.08 3.02 -1.26 -5.06 115.26 113.04 1yl3 n ASN 89 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1yl3 n ASN 89 Cb 0.00 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1yl3 n ASN 89 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1yl3 n PHE 90 N -1.82 0.00 -3.77 3.10 3.01 -1.26 -4.00 117.46 112.73 1yl3 n PHE 90 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1yl3 n PHE 90 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 1yl3 n PHE 90 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1yl3 s THR 91 N 0.00 0.00 -0.22 4.37 -4.23 -1.26 -1.14 115.64 113.16 1yl3 s THR 91 Ca 0.00 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.57 1yl3 s THR 91 Cb 0.00 -2.13 0.16 0.00 1.34 0.00 0.00 72.50 71.87 1yl3 s THR 91 CO 0.00 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.28 1yl3 s ALA 92 N -3.07 -2.04 0.09 3.99 0.00 -0.26 -3.87 121.76 116.60 1yl3 s ALA 92 Ca 0.14 1.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.70 1yl3 s ALA 92 Cb -0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 1yl3 s ALA 92 CO 0.03 -0.32 0.45 0.42 0.00 0.00 0.00 175.76 176.34 1yl3 s ILE 93 N -1.28 5.00 0.08 0.00 1.09 -1.02 -0.69 121.20 124.39 1yl3 s ILE 93 Ca 0.05 0.64 -0.15 0.00 -1.10 0.00 0.00 60.65 60.09 1yl3 s ILE 93 Cb -0.01 -3.69 -0.06 0.00 -1.06 0.00 0.00 42.46 37.64 1yl3 s ILE 93 CO -0.04 0.32 0.49 -0.54 -0.10 0.00 0.00 174.94 175.07 1yl3 s LYS 94 N -1.79 3.97 -0.00 2.79 1.02 -0.07 -2.25 119.74 123.40 1yl3 s LYS 94 Ca 0.33 0.46 -0.00 0.00 0.02 0.00 0.00 55.97 56.78 1yl3 s LYS 94 Cb -0.15 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1yl3 s LYS 94 CO 0.18 0.58 0.01 0.42 -0.92 0.00 0.00 175.35 175.62 1yl3 s ILE 95 N -1.28 -0.01 -0.13 2.17 1.09 -1.25 0.11 121.20 121.90 1yl3 s ILE 95 Ca 0.31 0.02 -0.14 0.00 -1.10 0.00 0.00 60.65 59.74 1yl3 s ILE 95 Cb -0.16 -0.03 -0.05 0.00 -1.06 0.00 0.00 42.46 41.16 1yl3 s ILE 95 CO 0.17 0.01 0.32 -1.48 -0.10 0.00 0.00 174.94 173.86 1yl3 s LEU 96 N 0.10 4.29 -0.14 2.97 2.34 -0.01 -3.52 118.68 124.71 1yl3 s LEU 96 Ca -0.01 0.61 -0.29 0.00 0.06 0.00 0.00 54.13 54.49 1yl3 s LEU 96 Cb -0.01 -2.41 -0.07 0.00 -0.56 0.00 0.00 46.19 43.14 1yl3 s LEU 96 CO -0.00 0.15 2.14 0.61 -1.06 0.00 0.00 176.35 178.19 1yl3 n GLY 97 N 3.01 1.26 3.18 -3.48 0.00 -1.22 -1.15 105.19 106.81 1yl3 n GLY 97 Ca -0.12 0.80 -0.40 0.00 0.00 0.00 0.00 46.02 46.30 1yl3 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yl3 s ILE 98 N 6.99 4.06 -0.49 -0.61 1.01 0.13 -3.79 121.20 128.51 1yl3 s ILE 98 Ca 0.98 -2.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.29 1yl3 s ILE 98 Cb -0.40 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1yl3 s ILE 98 CO 0.39 -0.80 1.04 -1.10 0.00 0.00 0.00 174.94 174.47 1yl3 s GLN 99 N 1.01 3.59 0.00 2.79 -0.21 -1.26 -1.38 119.66 124.20 1yl3 s GLN 99 Ca 0.09 0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.76 1yl3 s GLN 99 Cb -0.24 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 29.84 1yl3 s GLN 99 CO -0.02 -1.35 0.00 0.41 -2.12 0.00 0.00 175.29 172.20