#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yo4 s PRO -1 N 0.00 1.97 -0.21 1.61 0.04 -1.26 -4.67 135.00 132.49 1yo4 s PRO -1 Ca 0.00 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1yo4 s PRO -1 Cb 0.00 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1yo4 s PRO -1 CO 0.00 -1.92 -0.17 -1.21 0.04 0.00 0.00 177.00 173.74 1yo4 s GLU 1 N -4.29 2.69 -0.37 4.56 2.02 -1.25 -0.32 118.70 121.73 1yo4 s GLU 1 Ca 0.69 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.70 1yo4 s GLU 1 Cb -0.24 -2.66 0.11 0.00 0.10 0.00 0.00 34.13 31.43 1yo4 s GLU 1 CO 0.50 -0.34 0.10 -0.51 0.02 0.00 0.00 175.26 175.03 1yo4 s LEU 2 N 1.23 4.86 0.19 1.80 1.02 0.58 -4.98 118.68 123.39 1yo4 s LEU 2 Ca 0.00 -2.19 -0.30 0.00 0.02 0.00 0.00 54.13 51.66 1yo4 s LEU 2 Cb -0.15 -1.68 -0.08 0.00 0.02 0.00 0.00 46.19 44.30 1yo4 s LEU 2 CO -0.10 -0.41 1.09 -0.47 0.02 0.00 0.00 176.35 176.48 1yo4 s TYR 3 N 0.87 3.61 0.02 0.29 5.04 -1.26 -2.13 117.35 123.79 1yo4 s TYR 3 Ca 0.11 1.63 0.03 0.00 -2.44 0.00 0.00 57.07 56.40 1yo4 s TYR 3 Cb -0.20 -3.26 -0.01 0.00 0.35 0.00 0.00 41.96 38.83 1yo4 s TYR 3 CO -0.07 -0.53 -0.08 -1.01 -1.34 0.00 0.00 175.55 172.52 1yo4 s HIS 4 N -0.42 0.74 -0.02 4.97 3.76 0.19 -4.90 115.29 119.61 1yo4 s HIS 4 Ca 0.48 -0.28 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 1yo4 s HIS 4 Cb -0.29 -0.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.93 1yo4 s HIS 4 CO 0.36 -0.02 -0.13 1.52 -0.85 0.00 0.00 174.74 175.61 1yo4 s TYR 5 N -0.68 1.28 -0.21 1.40 -0.85 -1.26 0.39 117.35 117.43 1yo4 s TYR 5 Ca -0.02 -0.31 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 1yo4 s TYR 5 Cb -0.06 -0.86 0.04 0.00 0.38 0.00 0.00 41.96 41.45 1yo4 s TYR 5 CO 0.00 -0.09 -0.15 -1.14 -1.52 0.00 0.00 175.55 172.65 1yo4 s GLN 6 N -0.05 2.53 -0.23 -3.49 2.00 0.14 -4.92 119.66 115.64 1yo4 s GLN 6 Ca -0.00 -0.97 -0.23 0.00 -2.00 0.00 0.00 55.36 52.16 1yo4 s GLN 6 Cb -0.08 -2.61 -0.01 0.00 0.80 0.00 0.00 33.01 31.11 1yo4 s GLN 6 CO 0.01 -0.36 0.74 -1.21 -0.50 0.00 0.00 175.29 173.96 1yo4 s GLU 7 N 1.27 4.19 0.03 1.67 2.02 -1.26 0.46 118.70 127.07 1yo4 s GLU 7 Ca -0.00 0.79 -0.04 0.00 0.02 0.00 0.00 54.97 55.73 1yo4 s GLU 7 Cb -0.16 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.44 1yo4 s GLU 7 CO -0.09 -0.41 0.06 0.00 0.02 0.00 0.00 175.26 174.84 1yo4 s VAL 9 N -2.24 3.27 -0.30 0.00 1.01 -1.26 -1.44 120.40 119.44 1yo4 s VAL 9 Ca -0.08 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 1yo4 s VAL 9 Cb -0.04 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1yo4 s VAL 9 CO -0.03 -0.02 2.19 -0.60 0.00 0.00 0.00 175.10 176.64 1yo4 s ARG 10 N 3.03 2.92 0.00 2.72 3.52 -1.26 -2.36 118.95 127.52 1yo4 s ARG 10 Ca 0.73 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 1yo4 s ARG 10 Cb -0.37 -4.40 0.00 0.00 -1.56 0.00 0.00 34.95 28.62 1yo4 s ARG 10 CO 0.31 -2.34 0.00 0.41 -0.81 0.00 0.00 175.30 172.87 1yo4 n GLY 11 N 5.77 1.43 0.98 8.12 0.00 -0.05 -4.83 105.19 116.61 1yo4 n GLY 11 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 1yo4 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yo4 n THR 12 N 0.00 0.00 -3.94 2.61 -2.24 -0.99 -4.74 114.28 104.98 1yo4 n THR 12 Ca 0.00 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 1yo4 n THR 12 Cb 0.00 -1.34 -0.14 0.00 -2.10 0.00 0.00 70.33 66.75 1yo4 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1yo4 s THR 13 N -0.76 3.22 0.33 4.28 2.01 -1.26 0.29 115.64 123.75 1yo4 s THR 13 Ca 0.17 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.44 1yo4 s THR 13 Cb -0.01 -2.45 -0.10 0.00 0.01 0.00 0.00 72.50 69.95 1yo4 s THR 13 CO 0.11 0.44 0.82 0.68 -0.69 0.00 0.00 174.62 175.98 1yo4 s VAL 14 N 1.44 4.52 -0.54 3.82 -7.23 0.17 -4.84 120.40 117.75 1yo4 s VAL 14 Ca 0.06 1.26 0.04 0.00 -1.81 0.00 0.00 61.98 61.53 1yo4 s VAL 14 Cb -0.14 -3.70 0.14 0.00 0.56 0.00 0.00 36.38 33.24 1yo4 s VAL 14 CO -0.04 -0.11 0.32 -0.76 -0.31 0.00 0.00 175.10 174.19 1yo4 s LEU 15 N -2.75 3.85 0.30 1.32 1.43 -1.26 -1.04 118.68 120.52 1yo4 s LEU 15 Ca 0.54 -3.13 -0.06 0.00 -1.03 0.00 0.00 54.13 50.45 1yo4 s LEU 15 Cb -0.12 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1yo4 s LEU 15 CO 0.18 -0.20 0.58 -0.76 0.23 0.00 0.00 176.35 176.37 1yo4 s LEU 16 N -0.40 4.04 -0.14 1.79 1.02 -0.73 -4.83 118.68 119.43 1yo4 s LEU 16 Ca 0.20 0.77 -0.06 0.00 0.02 0.00 0.00 54.13 55.06 1yo4 s LEU 16 Cb -0.18 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.39 1yo4 s LEU 16 CO -0.05 -0.21 0.07 -0.75 0.02 0.00 0.00 176.35 175.43 1yo4 s LYS 17 N -3.53 3.59 -0.05 1.70 2.36 -1.26 -0.13 119.74 122.43 1yo4 s LYS 17 Ca 0.45 -0.30 -0.30 0.00 -2.55 0.00 0.00 55.97 53.27 1yo4 s LYS 17 Cb -0.11 -3.11 -0.06 0.00 -1.05 0.00 0.00 37.83 33.51 1yo4 s LYS 17 CO 0.29 0.52 1.68 -1.21 1.55 0.00 0.00 175.35 178.18 1yo4 s GLU 18 N -0.32 4.18 0.35 4.03 2.02 0.16 -4.87 118.70 124.24 1yo4 s GLU 18 Ca 0.09 2.22 0.26 0.00 0.02 0.00 0.00 54.97 57.56 1yo4 s GLU 18 Cb -0.12 -3.99 1.22 0.00 0.10 0.00 0.00 34.13 31.34 1yo4 s GLU 18 CO 0.02 -0.85 1.79 -1.00 0.02 0.00 0.00 175.26 175.24 1yo4 h PRO 19 N 9.58 0.00 -3.57 0.39 0.13 -1.97 -3.42 132.00 133.14 1yo4 h PRO 19 Ca -0.40 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.54 1yo4 h PRO 19 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 1yo4 h PRO 19 CO 0.95 0.00 -0.61 0.00 -0.23 0.00 0.00 178.00 178.12 1yo4 n PRO 21 N 2.65 2.07 -2.75 0.00 -0.04 -1.26 -4.23 135.00 131.44 1yo4 n PRO 21 Ca -0.15 -1.16 -0.05 0.00 -0.04 0.00 0.00 63.50 62.10 1yo4 n PRO 21 Cb 0.58 -2.03 0.02 0.00 -0.04 0.00 0.00 33.50 32.04 1yo4 n PRO 21 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1yo4 n SER 22 N 2.36 -3.17 -4.64 3.54 7.64 -1.26 -5.03 113.62 113.06 1yo4 n SER 22 Ca 0.44 -2.94 -0.43 0.00 1.01 0.00 0.00 58.87 56.96 1yo4 n SER 22 Cb 0.87 1.72 -0.03 0.00 -1.01 0.00 0.00 64.21 65.77 1yo4 n SER 22 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1yo4 s GLY 23 N 0.05 1.28 -0.67 0.23 0.00 -1.26 -3.85 107.32 103.09 1yo4 s GLY 23 Ca 0.30 0.83 0.05 0.00 0.00 0.00 0.00 44.72 45.90 1yo4 s GLY 23 CO -0.12 3.21 0.53 2.41 0.00 0.00 0.00 173.10 179.13 1yo4 n THR 24 N 6.10 1.54 -2.17 0.90 -1.04 0.16 -5.01 114.28 114.75 1yo4 n THR 24 Ca 0.20 -4.82 -0.42 0.00 -2.04 0.00 0.00 64.05 56.97 1yo4 n THR 24 Cb 0.44 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 1yo4 n THR 24 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1yo4 s TYR 25 N -1.53 3.24 -0.33 -1.42 5.04 -1.26 -0.42 117.35 120.68 1yo4 s TYR 25 Ca 0.28 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 1yo4 s TYR 25 Cb -0.00 -3.67 0.08 0.00 0.35 0.00 0.00 41.96 38.71 1yo4 s TYR 25 CO -0.15 -2.31 0.04 -1.21 -1.34 0.00 0.00 175.55 170.58 1yo4 s GLU 26 N 0.86 2.02 0.00 4.97 0.41 0.11 -4.92 118.70 122.16 1yo4 s GLU 26 Ca 0.63 -1.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 1yo4 s GLU 26 Cb -0.37 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1yo4 s GLU 26 CO 0.32 -0.81 0.00 0.41 -0.49 0.00 0.00 175.26 174.69 1yo4 n GLY 27 N 4.47 -0.52 0.00 -1.39 0.00 -1.26 -0.07 105.19 106.41 1yo4 n GLY 27 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1yo4 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yo4 n ASN 28 N 0.00 3.24 -4.65 1.61 5.15 -1.26 -5.08 115.26 114.27 1yo4 n ASN 28 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 1yo4 n ASN 28 Cb 0.00 0.01 0.08 0.00 -0.53 0.00 0.00 39.78 39.34 1yo4 n ASN 28 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1yo4 n SER 29 N -2.29 1.00 -4.59 1.20 7.64 -1.26 -4.82 113.62 110.51 1yo4 n SER 29 Ca 0.00 0.73 -0.45 0.00 1.01 0.00 0.00 58.87 60.17 1yo4 n SER 29 Cb 0.40 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.11 1yo4 n SER 29 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1yo4 n PRO 30 N -1.80 1.93 -2.94 1.43 -0.04 -1.26 -4.97 135.00 127.35 1yo4 n PRO 30 Ca 0.14 0.57 -0.40 0.00 -0.04 0.00 0.00 63.50 63.77 1yo4 n PRO 30 Cb 0.49 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 1yo4 n PRO 30 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1yo4 s PHE 31 N 7.44 3.85 -0.39 0.54 5.36 -1.26 -4.69 117.98 128.82 1yo4 s PHE 31 Ca 1.00 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 58.63 1yo4 s PHE 31 Cb -0.46 -2.83 0.16 0.00 -0.34 0.00 0.00 43.02 39.55 1yo4 s PHE 31 CO 0.39 0.40 0.37 -1.58 -1.46 0.00 0.00 175.22 173.35 1yo4 s HIS 32 N -0.68 0.18 -0.19 10.12 2.46 -1.26 -5.01 115.29 120.91 1yo4 s HIS 32 Ca 0.38 -1.41 -0.28 0.00 0.47 0.00 0.00 55.06 54.22 1yo4 s HIS 32 Cb -0.22 -0.58 -0.05 0.00 -0.13 0.00 0.00 32.58 31.59 1yo4 s HIS 32 CO 0.26 -0.93 2.08 -1.25 -2.47 0.00 0.00 174.74 172.42 1yo4 s PRO 33 N 0.89 3.39 -0.07 2.88 0.04 -1.25 -2.21 135.00 138.67 1yo4 s PRO 33 Ca 0.23 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1yo4 s PRO 33 Cb -0.10 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.14 1yo4 s PRO 33 CO -0.07 -1.81 -0.21 -0.51 0.04 0.00 0.00 177.00 174.45 1yo4 s LEU 34 N 7.20 2.34 0.00 -3.56 1.43 0.23 -4.91 118.68 121.40 1yo4 s LEU 34 Ca 0.94 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1yo4 s LEU 34 Cb -0.33 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1yo4 s LEU 34 CO 0.36 0.26 0.00 0.00 0.23 0.00 0.00 176.35 177.20 1yo4 n ALA 35 N 2.86 0.00 -1.00 4.21 0.00 -1.26 -1.66 120.51 123.66 1yo4 n ALA 35 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1yo4 n ALA 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1yo4 n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yo4 n ASP 36 N 7.72 0.00 -2.75 0.00 -0.08 -1.26 -4.81 116.55 115.37 1yo4 n ASP 36 Ca 0.00 0.10 -0.09 0.00 -1.51 0.00 0.00 54.79 53.29 1yo4 n ASP 36 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 1yo4 n ASP 36 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1yo4 n ASN 37 N -0.13 -0.80 -4.58 1.67 4.13 -1.22 -5.12 115.26 109.20 1yo4 n ASN 37 Ca 0.00 -2.82 -0.26 0.00 1.68 0.00 0.00 54.58 53.18 1yo4 n ASN 37 Cb 0.00 0.60 -0.02 0.00 -1.54 0.00 0.00 39.78 38.82 1yo4 n ASN 37 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1yo4 n LYS 38 N -0.18 0.77 -3.68 3.52 5.02 -0.66 0.35 118.16 123.30 1yo4 n LYS 38 Ca 0.05 -3.26 -0.10 0.00 -2.02 0.00 0.00 58.31 52.98 1yo4 n LYS 38 Cb 0.79 0.51 -0.10 0.00 -0.02 0.00 0.00 35.03 36.22 1yo4 n LYS 38 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1yo4 s PHE 39 N -2.58 -0.69 -0.11 2.13 -0.71 0.81 0.76 117.98 117.59 1yo4 s PHE 39 Ca 0.20 1.49 -0.14 0.00 -1.04 0.00 0.00 56.93 57.45 1yo4 s PHE 39 Cb -0.02 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1yo4 s PHE 39 CO 0.13 -0.37 0.34 0.00 -1.34 0.00 0.00 175.22 173.98 1yo4 s ALA 40 N 1.17 3.63 0.02 1.99 0.00 -0.94 -1.78 121.76 125.85 1yo4 s ALA 40 Ca -0.07 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1yo4 s ALA 40 Cb -0.06 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1yo4 s ALA 40 CO -0.11 0.24 -0.05 -0.51 0.00 0.00 0.00 175.76 175.33 1yo4 s LEU 41 N -0.08 2.13 -0.25 0.00 1.43 -0.21 -4.17 118.68 117.53 1yo4 s LEU 41 Ca 0.20 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1yo4 s LEU 41 Cb -0.14 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 1yo4 s LEU 41 CO 0.07 -0.10 1.57 -0.89 0.23 0.00 0.00 176.35 177.24 1yo4 s THR 42 N -0.77 3.75 -0.41 5.49 2.01 -1.26 0.44 115.64 124.89 1yo4 s THR 42 Ca -0.06 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 1yo4 s THR 42 Cb -0.06 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 1yo4 s THR 42 CO -0.00 -0.36 2.31 0.00 -0.69 0.00 0.00 174.62 175.87 1yo4 s THR 44 N 9.07 0.09 -0.89 0.00 -1.32 -1.26 -0.87 115.64 120.46 1yo4 s THR 44 Ca 1.06 -1.05 -0.24 0.00 -1.21 0.00 0.00 61.69 60.25 1yo4 s THR 44 Cb -0.56 -1.45 0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1yo4 s THR 44 CO 0.39 -0.43 1.63 -0.44 -2.21 0.00 0.00 174.62 173.56 1yo4 s SER 45 N -2.88 5.87 0.16 8.08 0.01 -1.26 -4.08 113.70 119.60 1yo4 s SER 45 Ca 0.08 -0.85 -0.13 0.00 1.31 0.00 0.00 55.95 56.36 1yo4 s SER 45 Cb 0.03 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1yo4 s SER 45 CO -0.08 -2.06 0.38 0.28 0.41 0.00 0.00 173.24 172.17 1yo4 s THR 46 N 7.22 0.06 -0.02 1.44 -1.32 -1.19 -5.02 115.64 116.81 1yo4 s THR 46 Ca 0.55 -0.97 0.01 0.00 -1.21 0.00 0.00 61.69 60.06 1yo4 s THR 46 Cb -0.05 -1.54 0.01 0.00 -1.51 0.00 0.00 72.50 69.42 1yo4 s THR 46 CO 0.00 -0.29 -0.02 -1.38 -2.21 0.00 0.00 174.62 170.72 1yo4 s HIS 47 N -3.89 0.35 0.00 9.09 0.00 -1.26 -0.30 115.29 119.28 1yo4 s HIS 47 Ca 0.10 -0.05 0.00 0.00 -3.00 0.00 0.00 55.06 52.11 1yo4 s HIS 47 Cb 0.02 -0.34 0.00 0.00 -4.00 0.00 0.00 32.58 28.26 1yo4 s HIS 47 CO -0.05 -0.08 0.00 1.97 -1.00 0.00 0.00 174.74 175.58 1yo4 n PHE 48 N 3.60 -0.05 -3.76 0.38 1.16 0.11 -4.94 117.46 113.96 1yo4 n PHE 48 Ca -0.20 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.27 1yo4 n PHE 48 Cb 0.54 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.34 1yo4 n PHE 48 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yo4 s ALA 49 N -1.86 -0.62 -0.13 1.98 0.00 0.89 0.12 121.76 122.15 1yo4 s ALA 49 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1yo4 s ALA 49 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1yo4 s ALA 49 CO 0.00 -0.45 -0.15 0.12 0.00 0.00 0.00 175.76 175.28 1yo4 s PHE 50 N -2.88 2.08 0.21 0.00 2.19 0.14 0.04 117.98 119.75 1yo4 s PHE 50 Ca -0.03 -1.08 0.07 0.00 0.33 0.00 0.00 56.93 56.22 1yo4 s PHE 50 Cb 0.00 -1.52 -0.04 0.00 -1.31 0.00 0.00 43.02 40.16 1yo4 s PHE 50 CO -0.05 -0.58 0.12 0.00 1.83 0.00 0.00 175.22 176.54 1yo4 s ALA 51 N 1.26 3.48 0.43 11.12 0.00 0.44 -0.09 121.76 138.40 1yo4 s ALA 51 Ca -0.00 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1yo4 s ALA 51 Cb -0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1yo4 s ALA 51 CO -0.06 0.38 0.04 0.00 0.00 0.00 0.00 175.76 176.11 1yo4 n ALA 53 N -1.00 2.41 -0.46 0.00 0.00 -1.25 -2.06 120.51 118.15 1yo4 n ALA 53 Ca -0.09 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1yo4 n ALA 53 Cb 0.67 -1.23 0.22 0.00 0.00 0.00 0.00 19.45 19.12 1yo4 n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yo4 n ASP 54 N -0.76 3.53 0.00 0.00 -0.08 -1.26 -4.92 116.55 113.06 1yo4 n ASP 54 Ca 0.10 -2.32 0.00 0.00 -1.51 0.00 0.00 54.79 51.07 1yo4 n ASP 54 Cb 0.05 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1yo4 n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yo4 n GLY 55 N 0.45 0.57 3.63 0.27 0.00 -0.87 -4.78 105.19 104.46 1yo4 n GLY 55 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1yo4 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yo4 s THR 56 N -2.46 3.62 -0.42 2.61 -4.23 -1.25 -3.16 115.64 110.36 1yo4 s THR 56 Ca 0.00 0.71 -0.09 0.00 -1.18 0.00 0.00 61.69 61.13 1yo4 s THR 56 Cb 0.00 -3.61 0.08 0.00 1.34 0.00 0.00 72.50 70.31 1yo4 s THR 56 CO 0.00 -0.23 0.26 -0.13 -0.54 0.00 0.00 174.62 173.98 1yo4 s ARG 57 N 4.65 2.61 -0.48 3.99 1.81 0.56 -1.24 118.95 130.84 1yo4 s ARG 57 Ca 0.74 -1.45 -0.11 0.00 -1.72 0.00 0.00 55.73 53.18 1yo4 s ARG 57 Cb -0.27 -3.78 0.12 0.00 -0.45 0.00 0.00 34.95 30.56 1yo4 s ARG 57 CO 0.30 -0.95 0.38 -1.01 -0.68 0.00 0.00 175.30 173.34 1yo4 s HIS 58 N 1.43 3.37 0.30 -0.53 3.76 0.87 -0.30 115.29 124.18 1yo4 s HIS 58 Ca 0.03 -1.66 -0.29 0.00 -0.15 0.00 0.00 55.06 52.99 1yo4 s HIS 58 Cb -0.23 -3.50 -0.10 0.00 1.11 0.00 0.00 32.58 29.86 1yo4 s HIS 58 CO 0.02 -0.98 1.38 0.99 -0.85 0.00 0.00 174.74 175.30 1yo4 s THR 59 N 1.44 2.64 -0.19 1.30 2.01 -0.91 0.27 115.64 122.20 1yo4 s THR 59 Ca 0.05 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1yo4 s THR 59 Cb -0.27 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 68.90 1yo4 s THR 59 CO 0.01 0.12 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.66 1yo4 s TYR 60 N -0.65 2.20 -0.13 4.92 1.51 0.12 0.55 117.35 125.87 1yo4 s TYR 60 Ca 0.54 -1.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.09 1yo4 s TYR 60 Cb -0.41 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1yo4 s TYR 60 CO 0.50 -0.71 0.13 -0.65 -1.11 0.00 0.00 175.55 173.72 1yo4 s GLN 61 N 1.47 3.49 -0.24 -0.62 -0.21 0.16 0.08 119.66 123.78 1yo4 s GLN 61 Ca -0.01 -0.15 -0.08 0.00 0.02 0.00 0.00 55.36 55.15 1yo4 s GLN 61 Cb -0.16 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1yo4 s GLN 61 CO -0.08 0.74 0.09 -1.17 -2.12 0.00 0.00 175.29 172.75 1yo4 s LEU 62 N -0.91 3.62 -0.85 2.90 1.98 0.59 0.24 118.68 126.24 1yo4 s LEU 62 Ca 0.14 -0.12 -0.02 0.00 -2.89 0.00 0.00 54.13 51.24 1yo4 s LEU 62 Cb -0.12 -1.97 0.21 0.00 0.66 0.00 0.00 46.19 44.97 1yo4 s LEU 62 CO 0.03 -0.00 0.73 -0.13 -1.89 0.00 0.00 176.35 175.09 1yo4 s ARG 63 N 1.43 3.19 -0.19 1.98 1.81 0.17 -3.14 118.95 124.21 1yo4 s ARG 63 Ca 0.06 -3.13 -0.29 0.00 -1.72 0.00 0.00 55.73 50.65 1yo4 s ARG 63 Cb -0.15 -3.95 -0.02 0.00 -0.45 0.00 0.00 34.95 30.39 1yo4 s ARG 63 CO 0.05 -1.25 1.34 0.00 -0.68 0.00 0.00 175.30 174.76 1yo4 s ALA 64 N -1.09 3.56 -2.00 2.13 0.00 -1.25 -1.26 121.76 121.85 1yo4 s ALA 64 Ca 0.25 0.43 0.17 0.00 0.00 0.00 0.00 51.96 52.81 1yo4 s ALA 64 Cb -0.10 -3.69 1.01 0.00 0.00 0.00 0.00 23.12 20.35 1yo4 s ALA 64 CO -0.11 -1.40 1.63 0.54 0.00 0.00 0.00 175.76 176.42 1yo4 n ARG 65 N 6.92 0.97 0.00 0.00 1.74 -0.52 -4.80 116.66 120.97 1yo4 n ARG 65 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1yo4 n ARG 65 Cb 0.45 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1yo4 n ARG 65 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1yo4 n SER 66 N -0.77 0.00 0.00 0.55 7.64 -1.26 -4.67 113.62 115.10 1yo4 n SER 66 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1yo4 n SER 66 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1yo4 n SER 66 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1yo4 n VAL 67 N 0.00 0.00 -3.59 0.44 0.31 -1.26 -4.06 118.33 110.17 1yo4 n VAL 67 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1yo4 n VAL 67 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1yo4 n VAL 67 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1yo4 n SER 68 N -1.11 1.03 0.20 4.52 7.64 -1.26 -0.62 113.62 124.02 1yo4 n SER 68 Ca 0.00 -2.74 0.04 0.00 1.01 0.00 0.00 58.87 57.18 1yo4 n SER 68 Cb 0.00 -0.64 0.45 0.00 -1.01 0.00 0.00 64.21 63.01 1yo4 n SER 68 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1yo4 h PRO 69 N 5.45 0.04 -0.27 1.43 0.11 -1.88 -1.69 132.00 135.18 1yo4 h PRO 69 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1yo4 h PRO 69 Cb 0.84 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1yo4 h PRO 69 CO 0.52 0.26 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 1yo4 n LYS 70 N -4.26 2.39 0.00 1.05 4.76 -1.26 -5.04 118.16 115.79 1yo4 n LYS 70 Ca -0.02 -2.14 0.00 0.00 -2.87 0.00 0.00 58.31 53.28 1yo4 n LYS 70 Cb 0.29 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1yo4 n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1yo4 n LEU 71 N 1.40 0.00 0.00 -0.35 4.77 -0.64 -3.60 117.00 118.58 1yo4 n LEU 71 Ca 0.17 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 1yo4 n LEU 71 Cb 0.59 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.77 1yo4 n LEU 71 CO 0.15 0.00 0.42 0.33 -1.33 0.00 0.00 177.39 176.96 1yo4 n PHE 72 N 12.91 -3.06 -0.30 -1.77 7.35 -1.26 -0.81 117.46 130.52 1yo4 n PHE 72 Ca 0.00 -1.31 0.05 0.00 -0.76 0.00 0.00 57.45 55.43 1yo4 n PHE 72 Cb 0.00 -0.54 0.19 0.00 0.35 0.00 0.00 39.48 39.48 1yo4 n PHE 72 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1yo4 h ILE 73 N -0.55 0.86 -1.11 -2.13 2.04 -1.92 0.19 117.51 114.88 1yo4 h ILE 73 Ca -0.25 -0.27 -0.63 0.00 1.00 0.00 0.00 64.86 64.72 1yo4 h ILE 73 Cb 0.91 0.02 -0.36 0.00 -0.74 0.00 0.00 36.82 36.65 1yo4 h ILE 73 CO 0.26 0.14 -0.02 -2.11 0.00 0.00 0.00 178.15 176.42 1yo4 n ARG 74 N -4.76 3.18 -4.01 2.37 1.85 -1.26 -4.94 116.66 109.09 1yo4 n ARG 74 Ca 0.15 -3.86 -0.27 0.00 -1.00 0.00 0.00 57.85 52.87 1yo4 n ARG 74 Cb 0.33 -2.28 -0.03 0.00 -1.05 0.00 0.00 32.46 29.43 1yo4 n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yo4 n GLN 75 N -0.72 -2.80 0.00 2.89 10.64 0.66 -4.96 117.38 123.09 1yo4 n GLN 75 Ca 0.51 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 56.02 1yo4 n GLN 75 Cb 0.73 -4.33 0.00 0.00 -0.86 0.00 0.00 30.24 25.78 1yo4 n GLN 75 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1yo4 n GLU 76 N -4.44 0.00 -3.68 2.61 1.02 -1.26 -4.52 120.64 110.38 1yo4 n GLU 76 Ca -0.31 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.56 1yo4 n GLU 76 Cb 0.69 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.94 1yo4 n GLU 76 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1yo4 s GLU 77 N 0.82 0.36 -0.22 3.49 -1.05 -1.26 -4.13 118.70 116.71 1yo4 s GLU 77 Ca 0.00 -0.23 -0.01 0.00 -0.15 0.00 0.00 54.97 54.58 1yo4 s GLU 77 Cb 0.00 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 1yo4 s GLU 77 CO 0.00 -0.64 0.04 0.28 0.95 0.00 0.00 175.26 175.89 1yo4 n VAL 78 N 5.17 -8.73 -0.06 1.83 0.31 -1.25 -4.65 118.33 110.95 1yo4 n VAL 78 Ca -0.08 1.19 -0.05 0.00 -0.01 0.00 0.00 64.34 65.38 1yo4 n VAL 78 Cb 0.48 -6.01 -0.09 0.00 -0.91 0.00 0.00 33.84 27.31 1yo4 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yo4 n GLN 79 N 0.39 2.04 0.00 5.55 10.64 0.01 -4.75 117.38 131.25 1yo4 n GLN 79 Ca 0.01 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1yo4 n GLN 79 Cb 0.03 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 1yo4 n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yo4 n GLN 80 N -2.42 0.00 -2.95 2.61 10.64 -1.25 -4.55 117.38 119.45 1yo4 n GLN 80 Ca -0.19 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.79 1yo4 n GLN 80 Cb 0.87 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.25 1yo4 n GLN 80 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1yo4 n GLU 81 N 0.00 -3.23 0.00 2.61 -0.58 0.21 -4.63 120.64 115.01 1yo4 n GLU 81 Ca 0.00 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1yo4 n GLU 81 Cb 0.00 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 25.55 1yo4 n GLU 81 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1yo4 n LEU 82 N -3.45 0.00 -0.46 -4.62 0.00 -1.26 -4.72 117.00 102.49 1yo4 n LEU 82 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 56.01 55.94 1yo4 n LEU 82 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 43.42 44.08 1yo4 n LEU 82 CO 0.38 0.00 0.49 0.00 0.00 0.00 0.00 177.39 178.26 1yo4 n TYR 83 N 0.00 0.28 -3.20 1.96 9.36 -1.26 -4.89 117.16 119.41 1yo4 n TYR 83 Ca 0.00 -0.11 -0.10 0.00 3.32 0.00 0.00 57.90 61.01 1yo4 n TYR 83 Cb 0.00 -0.07 0.04 0.00 -0.63 0.00 0.00 39.34 38.68 1yo4 n TYR 83 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1yo4 n SER 84 N 0.00 -7.05 0.00 2.98 7.64 -1.26 -5.09 113.62 110.83 1yo4 n SER 84 Ca 0.05 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1yo4 n SER 84 Cb 0.24 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.33 1yo4 n SER 84 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89