#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 0.61 -0.26 1.61 0.02 -1.26 -4.68 135.00 131.04 1yo4 s PRO -1 Ca 0.00 0.33 0.01 0.00 0.02 0.00 0.00 61.00 61.36 1yo4 s PRO -1 Cb 0.00 -1.77 0.07 0.00 0.02 0.00 0.00 34.50 32.82 1yo4 s PRO -1 CO 0.00 -2.57 -0.02 -1.21 -0.33 0.00 0.00 177.00 172.87 1yo4 s GLU 1 N -5.17 1.49 -0.65 5.54 0.41 -1.25 -0.92 118.70 118.15 1yo4 s GLU 1 Ca 0.65 -1.13 -0.15 0.00 -0.41 0.00 0.00 54.97 53.92 1yo4 s GLU 1 Cb -0.16 -2.61 0.16 0.00 -1.78 0.00 0.00 34.13 29.75 1yo4 s GLU 1 CO 0.55 -0.70 0.61 -0.51 -0.49 0.00 0.00 175.26 174.73 1yo4 s LEU 2 N 1.35 6.36 0.32 1.80 1.02 0.05 -4.94 118.68 124.64 1yo4 s LEU 2 Ca -0.01 -2.11 -0.28 0.00 0.02 0.00 0.00 54.13 51.74 1yo4 s LEU 2 Cb -0.19 -2.22 -0.10 0.00 0.02 0.00 0.00 46.19 43.71 1yo4 s LEU 2 CO -0.09 -0.77 1.20 -0.47 0.02 0.00 0.00 176.35 176.24 1yo4 s TYR 3 N 1.12 3.27 0.05 0.29 6.14 -1.26 -3.34 117.35 123.62 1yo4 s TYR 3 Ca 0.09 1.56 0.02 0.00 0.64 0.00 0.00 57.07 59.38 1yo4 s TYR 3 Cb -0.22 -3.46 -0.03 0.00 0.42 0.00 0.00 41.96 38.67 1yo4 s TYR 3 CO -0.01 -1.21 -0.07 -1.01 0.64 0.00 0.00 175.55 173.88 1yo4 s HIS 4 N -1.20 0.68 -0.03 4.97 3.76 0.13 -4.93 115.29 118.66 1yo4 s HIS 4 Ca 0.48 -0.57 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 1yo4 s HIS 4 Cb -0.35 -0.41 0.01 0.00 1.11 0.00 0.00 32.58 32.95 1yo4 s HIS 4 CO 0.45 -0.10 -0.07 1.52 -0.85 0.00 0.00 174.74 175.69 1yo4 s TYR 5 N -1.73 0.84 -0.28 1.40 -0.85 -1.26 0.04 117.35 115.51 1yo4 s TYR 5 Ca -0.07 -0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.24 1yo4 s TYR 5 Cb -0.08 -0.65 0.04 0.00 0.38 0.00 0.00 41.96 41.65 1yo4 s TYR 5 CO -0.01 -0.14 -0.03 -0.65 -1.52 0.00 0.00 175.55 173.20 1yo4 s GLN 6 N 0.50 2.59 -0.64 -3.49 -1.52 0.22 -4.92 119.66 112.40 1yo4 s GLN 6 Ca -0.07 -1.15 -0.20 0.00 -1.95 0.00 0.00 55.36 51.99 1yo4 s GLN 6 Cb -0.11 -3.08 0.09 0.00 -0.22 0.00 0.00 33.01 29.69 1yo4 s GLN 6 CO 0.01 -0.52 0.83 -1.21 -0.25 0.00 0.00 175.29 174.14 1yo4 s GLU 7 N 1.28 3.10 -0.03 2.91 2.02 -1.26 0.61 118.70 127.33 1yo4 s GLU 7 Ca -0.03 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 53.85 1yo4 s GLU 7 Cb -0.18 -4.29 -0.01 0.00 0.10 0.00 0.00 34.13 29.74 1yo4 s GLU 7 CO -0.03 -1.66 -0.23 0.00 0.02 0.00 0.00 175.26 173.36 1yo4 s VAL 9 N -0.40 2.30 0.09 0.00 1.01 -1.26 -0.92 120.40 121.21 1yo4 s VAL 9 Ca 0.05 0.02 -0.33 0.00 0.00 0.00 0.00 61.98 61.71 1yo4 s VAL 9 Cb -0.10 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.14 1yo4 s VAL 9 CO 0.00 0.00 1.73 -1.14 0.00 0.00 0.00 175.10 175.70 1yo4 n ARG 10 N 4.98 2.36 0.00 2.72 0.63 -1.26 -3.07 116.66 123.03 1yo4 n ARG 10 Ca 0.17 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.96 1yo4 n ARG 10 Cb 0.37 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.60 1yo4 n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yo4 n GLY 11 N 3.91 1.02 2.83 5.14 0.00 0.23 -2.65 105.19 115.67 1yo4 n GLY 11 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.92 2.61 -2.24 -1.17 -4.70 114.28 104.86 1yo4 n THR 12 Ca 0.00 -0.95 -0.35 0.00 -2.27 0.00 0.00 64.05 60.48 1yo4 n THR 12 Cb 0.00 -1.31 -0.14 0.00 -2.10 0.00 0.00 70.33 66.78 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 -2.62 3.11 0.33 4.28 2.01 -1.26 0.30 115.64 121.79 1yo4 s THR 13 Ca 0.51 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 1yo4 s THR 13 Cb -0.02 -2.59 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 1yo4 s THR 13 CO 0.35 0.17 0.96 0.68 -0.69 0.00 0.00 174.62 176.09 1yo4 s VAL 14 N 1.36 4.16 -0.79 3.82 -7.23 0.13 -4.85 120.40 117.00 1yo4 s VAL 14 Ca 0.01 1.76 0.00 0.00 -1.81 0.00 0.00 61.98 61.93 1yo4 s VAL 14 Cb -0.17 -3.96 0.20 0.00 0.56 0.00 0.00 36.38 33.01 1yo4 s VAL 14 CO -0.03 0.11 0.64 -0.76 -0.31 0.00 0.00 175.10 174.75 1yo4 s LEU 15 N -2.16 5.28 -0.08 1.32 1.43 -1.26 -1.49 118.68 121.72 1yo4 s LEU 15 Ca 0.51 -3.61 -0.30 0.00 -1.03 0.00 0.00 54.13 49.71 1yo4 s LEU 15 Cb -0.19 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1yo4 s LEU 15 CO 0.24 -0.18 1.17 -0.22 0.23 0.00 0.00 176.35 177.58 1yo4 s LEU 16 N -1.16 4.26 -0.14 1.79 1.98 -0.60 -4.78 118.68 120.03 1yo4 s LEU 16 Ca 0.25 1.75 -0.29 0.00 -2.89 0.00 0.00 54.13 52.94 1yo4 s LEU 16 Cb -0.09 -3.56 -0.01 0.00 0.66 0.00 0.00 46.19 43.20 1yo4 s LEU 16 CO -0.12 -0.58 1.01 -0.75 -1.89 0.00 0.00 176.35 174.03 1yo4 s LYS 17 N 2.30 4.37 -0.00 1.98 2.36 -1.26 -0.99 119.74 128.49 1yo4 s LYS 17 Ca 0.54 1.37 -0.30 0.00 -2.55 0.00 0.00 55.97 55.03 1yo4 s LYS 17 Cb -0.23 -3.57 -0.08 0.00 -1.05 0.00 0.00 37.83 32.90 1yo4 s LYS 17 CO 0.20 -0.41 1.96 -1.21 1.55 0.00 0.00 175.35 177.45 1yo4 s GLU 18 N 2.36 4.04 0.60 4.03 2.02 0.12 -4.84 118.70 127.02 1yo4 s GLU 18 Ca 0.47 2.50 0.37 0.00 0.02 0.00 0.00 54.97 58.33 1yo4 s GLU 18 Cb -0.17 -4.17 1.88 0.00 0.10 0.00 0.00 34.13 31.77 1yo4 s GLU 18 CO 0.14 -1.07 2.19 -1.00 0.02 0.00 0.00 175.26 175.54 1yo4 h PRO 19 N 10.97 0.00 -3.30 0.39 0.13 -1.94 -3.41 132.00 134.85 1yo4 h PRO 19 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1yo4 h PRO 19 Cb 1.23 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.01 1yo4 h PRO 19 CO 0.94 0.03 -0.68 0.00 -0.23 0.00 0.00 178.00 178.06 1yo4 n PRO 21 N 4.80 1.77 0.00 0.00 -0.02 -1.26 -3.41 135.00 136.88 1yo4 n PRO 21 Ca -0.15 -0.96 0.00 0.00 -2.02 0.00 0.00 63.50 60.38 1yo4 n PRO 21 Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1yo4 n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1yo4 n SER 22 N 2.86 0.00 -4.67 2.55 7.64 -1.26 -5.04 113.62 115.70 1yo4 n SER 22 Ca 0.38 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.97 1yo4 n SER 22 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 1.83 -0.28 0.23 0.00 -1.22 -1.59 107.32 106.28 1yo4 s GLY 23 Ca 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 43.44 1yo4 s GLY 23 CO 0.00 -1.22 0.05 -1.59 0.00 0.00 0.00 173.10 170.34 1yo4 s THR 24 N -1.46 3.79 0.10 0.90 2.01 0.29 -4.92 115.64 116.35 1yo4 s THR 24 Ca 0.26 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1yo4 s THR 24 Cb -0.11 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 1yo4 s THR 24 CO 0.18 0.13 0.95 -0.47 -0.69 0.00 0.00 174.62 174.72 1yo4 s TYR 25 N 1.48 3.80 0.05 4.92 5.04 -1.26 -0.81 117.35 130.57 1yo4 s TYR 25 Ca 0.03 1.77 0.09 0.00 -2.44 0.00 0.00 57.07 56.52 1yo4 s TYR 25 Cb -0.17 -3.04 -0.03 0.00 0.35 0.00 0.00 41.96 39.07 1yo4 s TYR 25 CO 0.01 0.20 -0.23 -1.21 -1.34 0.00 0.00 175.55 172.98 1yo4 s GLU 26 N 0.03 1.86 0.00 4.97 2.02 0.52 -4.97 118.70 123.13 1yo4 s GLU 26 Ca 0.46 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1yo4 s GLU 26 Cb -0.23 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1yo4 s GLU 26 CO 0.29 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.50 1yo4 n GLY 27 N 1.60 0.84 0.10 -1.39 0.00 -1.26 0.31 105.19 105.39 1yo4 n GLY 27 Ca -0.17 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.05 1yo4 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yo4 n ASN 28 N 2.79 2.31 -4.58 1.61 6.94 -1.26 -5.02 115.26 118.06 1yo4 n ASN 28 Ca 0.00 -2.65 -0.30 0.00 -0.02 0.00 0.00 54.58 51.61 1yo4 n ASN 28 Cb 0.00 -0.27 -0.10 0.00 -2.36 0.00 0.00 39.78 37.05 1yo4 n ASN 28 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1yo4 s SER 29 N -2.08 4.41 -0.60 0.53 0.01 -1.26 -5.06 113.70 109.64 1yo4 s SER 29 Ca 0.20 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.82 1yo4 s SER 29 Cb 0.17 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 1yo4 s SER 29 CO 0.03 0.18 1.95 -2.84 0.41 0.00 0.00 173.24 172.96 1yo4 s PRO 30 N -2.20 2.54 0.33 12.44 0.02 -1.26 -4.96 135.00 141.91 1yo4 s PRO 30 Ca 0.21 0.70 -0.29 0.00 0.02 0.00 0.00 61.00 61.64 1yo4 s PRO 30 Cb -0.11 -4.44 -0.12 0.00 0.02 0.00 0.00 34.50 29.85 1yo4 s PRO 30 CO 0.14 -2.84 1.51 0.34 -0.33 0.00 0.00 177.00 175.81 1yo4 n PHE 31 N 13.28 2.79 -3.43 6.54 -0.00 -1.26 -4.94 117.46 130.45 1yo4 n PHE 31 Ca 0.23 0.38 -0.27 0.00 -0.00 0.00 0.00 57.45 57.79 1yo4 n PHE 31 Cb 0.52 -2.54 -0.11 0.00 -0.00 0.00 0.00 39.48 37.35 1yo4 n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1yo4 s HIS 32 N -0.56 0.62 0.13 -5.13 3.76 -1.26 -5.05 115.29 107.80 1yo4 s HIS 32 Ca 0.59 -1.64 -0.31 0.00 -0.15 0.00 0.00 55.06 53.55 1yo4 s HIS 32 Cb -0.51 -0.83 -0.10 0.00 1.11 0.00 0.00 32.58 32.26 1yo4 s HIS 32 CO 0.56 -0.85 1.67 -1.25 -0.85 0.00 0.00 174.74 174.02 1yo4 s PRO 33 N 0.92 4.18 -0.04 8.40 0.04 -1.26 -2.08 135.00 145.16 1yo4 s PRO 33 Ca 0.21 2.43 0.04 0.00 0.04 0.00 0.00 61.00 63.72 1yo4 s PRO 33 Cb -0.17 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1yo4 s PRO 33 CO -0.03 -0.72 -0.17 -0.51 0.04 0.00 0.00 177.00 175.61 1yo4 s LEU 34 N 2.01 1.93 0.00 -3.56 1.43 0.20 -4.93 118.68 115.76 1yo4 s LEU 34 Ca 0.74 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1yo4 s LEU 34 Cb -0.43 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1yo4 s LEU 34 CO 0.33 0.16 0.00 0.00 0.23 0.00 0.00 176.35 177.07 1yo4 n ALA 35 N 3.09 0.00 -1.00 4.21 0.00 -1.26 -2.53 120.51 123.02 1yo4 n ALA 35 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yo4 n ALA 35 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 5.93 0.00 -2.99 0.00 2.03 -1.26 -4.86 116.55 115.41 1yo4 n ASP 36 Ca 0.00 0.01 -0.14 0.00 0.52 0.00 0.00 54.79 55.18 1yo4 n ASP 36 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1yo4 n ASP 36 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1yo4 n ASN 37 N -0.10 0.43 -4.17 1.67 5.03 -1.24 -5.10 115.26 111.78 1yo4 n ASN 37 Ca 0.00 -3.01 -0.25 0.00 0.87 0.00 0.00 54.58 52.19 1yo4 n ASN 37 Cb 0.00 -0.20 -0.08 0.00 -1.02 0.00 0.00 39.78 38.48 1yo4 n ASN 37 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1yo4 s LYS 38 N -2.12 1.89 -0.22 3.52 1.02 -1.05 0.12 119.74 122.91 1yo4 s LYS 38 Ca 0.34 -2.14 -0.19 0.00 0.02 0.00 0.00 55.97 54.00 1yo4 s LYS 38 Cb 0.37 -0.64 0.06 0.00 -0.52 0.00 0.00 37.83 37.10 1yo4 s LYS 38 CO -0.05 -0.44 0.57 -0.59 -0.92 0.00 0.00 175.35 173.92 1yo4 s PHE 39 N -3.23 -0.67 -0.07 3.18 -0.12 -0.16 0.61 117.98 117.53 1yo4 s PHE 39 Ca 0.25 1.57 -0.16 0.00 -0.05 0.00 0.00 56.93 58.54 1yo4 s PHE 39 Cb 0.03 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 1yo4 s PHE 39 CO 0.14 -0.33 0.43 0.00 -0.05 0.00 0.00 175.22 175.42 1yo4 s ALA 40 N 0.54 3.58 0.01 1.99 0.00 -0.88 -1.55 121.76 125.45 1yo4 s ALA 40 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1yo4 s ALA 40 Cb -0.04 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 1yo4 s ALA 40 CO -0.03 0.22 -0.05 -0.51 0.00 0.00 0.00 175.76 175.39 1yo4 s LEU 41 N -0.14 2.11 -0.28 0.00 1.43 -0.56 -4.33 118.68 116.92 1yo4 s LEU 41 Ca 0.24 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1yo4 s LEU 41 Cb -0.16 -0.17 -0.00 0.00 0.03 0.00 0.00 46.19 45.89 1yo4 s LEU 41 CO 0.11 -0.06 1.33 -0.89 0.23 0.00 0.00 176.35 177.07 1yo4 s THR 42 N -0.63 4.10 -0.24 5.49 2.01 -1.26 0.17 115.64 125.27 1yo4 s THR 42 Ca -0.04 1.25 -0.33 0.00 0.31 0.00 0.00 61.69 62.88 1yo4 s THR 42 Cb -0.05 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1yo4 s THR 42 CO -0.00 -0.43 2.10 0.00 -0.69 0.00 0.00 174.62 175.60 1yo4 s THR 44 N 6.57 0.00 -1.05 0.00 -1.32 -1.26 -0.60 115.64 117.98 1yo4 s THR 44 Ca 1.03 -0.92 -0.23 0.00 -1.21 0.00 0.00 61.69 60.36 1yo4 s THR 44 Cb -0.69 -2.26 0.03 0.00 -1.51 0.00 0.00 72.50 68.07 1yo4 s THR 44 CO 0.47 0.00 1.58 -0.94 -2.21 0.00 0.00 174.62 173.52 1yo4 s SER 45 N -2.99 6.29 0.08 8.08 1.04 -1.26 -3.64 113.70 121.31 1yo4 s SER 45 Ca 0.13 -1.48 0.02 0.00 0.48 0.00 0.00 55.95 55.10 1yo4 s SER 45 Cb -0.05 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1yo4 s SER 45 CO 0.07 -1.70 -0.07 0.28 0.98 0.00 0.00 173.24 172.80 1yo4 s THR 46 N 5.84 0.66 -0.13 2.02 -1.32 -1.04 -4.99 115.64 116.68 1yo4 s THR 46 Ca 0.52 -1.70 0.02 0.00 -1.21 0.00 0.00 61.69 59.31 1yo4 s THR 46 Cb -0.00 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1yo4 s THR 46 CO -0.05 -0.74 -0.21 -1.00 -2.21 0.00 0.00 174.62 170.41 1yo4 s HIS 47 N -3.01 2.67 0.17 9.09 0.09 -1.26 0.06 115.29 123.11 1yo4 s HIS 47 Ca 0.06 -1.19 0.03 0.00 -0.00 0.00 0.00 55.06 53.96 1yo4 s HIS 47 Cb 0.01 -1.80 -0.01 0.00 -0.00 0.00 0.00 32.58 30.77 1yo4 s HIS 47 CO -0.03 -0.52 0.16 1.97 -0.00 0.00 0.00 174.74 176.31 1yo4 n PHE 48 N 3.91 -0.48 -3.59 1.40 1.16 0.97 -4.11 117.46 116.72 1yo4 n PHE 48 Ca -0.19 -1.43 -0.10 0.00 -1.87 0.00 0.00 57.45 53.85 1yo4 n PHE 48 Cb 0.52 0.17 -0.02 0.00 -1.61 0.00 0.00 39.48 38.54 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 -2.64 -1.39 -0.09 1.98 0.00 0.15 0.23 121.76 119.99 1yo4 s ALA 49 Ca 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1yo4 s ALA 49 Cb 0.01 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1yo4 s ALA 49 CO 0.14 -0.85 0.02 0.12 0.00 0.00 0.00 175.76 175.20 1yo4 s PHE 50 N -3.81 0.57 -0.23 0.00 2.19 0.78 -0.36 117.98 117.11 1yo4 s PHE 50 Ca 0.05 -0.20 -0.07 0.00 0.33 0.00 0.00 56.93 57.05 1yo4 s PHE 50 Cb -0.02 -0.77 -0.03 0.00 -1.31 0.00 0.00 43.02 40.89 1yo4 s PHE 50 CO -0.06 -0.36 0.05 0.00 1.83 0.00 0.00 175.22 176.68 1yo4 s ALA 51 N 2.01 3.14 0.30 11.12 0.00 0.01 -0.23 121.76 138.10 1yo4 s ALA 51 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1yo4 s ALA 51 Cb -0.13 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1yo4 s ALA 51 CO -0.05 -0.33 0.46 0.00 0.00 0.00 0.00 175.76 175.83 1yo4 h ALA 53 N 0.95 1.19 0.00 0.00 0.00 -1.62 -0.56 119.26 119.22 1yo4 h ALA 53 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1yo4 h ALA 53 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1yo4 h ALA 53 CO 0.60 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1yo4 n ASP 54 N -3.38 0.18 0.00 0.00 3.85 -1.26 -4.86 116.55 111.07 1yo4 n ASP 54 Ca -0.02 0.53 0.00 0.00 -0.71 0.00 0.00 54.79 54.58 1yo4 n ASP 54 Cb 0.13 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.33 1yo4 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yo4 n GLY 55 N 0.77 0.32 3.75 6.12 0.00 -0.22 -5.00 105.19 110.94 1yo4 n GLY 55 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1yo4 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yo4 s THR 56 N -2.05 4.38 -0.09 2.61 2.01 -1.25 -4.21 115.64 117.04 1yo4 s THR 56 Ca 0.00 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 63.90 1yo4 s THR 56 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1yo4 s THR 56 CO 0.00 0.44 -0.06 -0.60 -0.69 0.00 0.00 174.62 173.71 1yo4 s ARG 57 N -0.67 2.97 -0.29 4.92 3.00 -0.10 -1.16 118.95 127.62 1yo4 s ARG 57 Ca 0.41 -0.53 -0.00 0.00 -1.00 0.00 0.00 55.73 54.60 1yo4 s ARG 57 Cb -0.24 -2.67 0.09 0.00 0.00 0.00 0.00 34.95 32.13 1yo4 s ARG 57 CO 0.28 0.57 0.07 -1.01 0.00 0.00 0.00 175.30 175.21 1yo4 s HIS 58 N -0.55 1.92 0.21 5.12 3.76 0.68 -0.77 115.29 125.66 1yo4 s HIS 58 Ca 0.08 -1.77 -0.30 0.00 -0.15 0.00 0.00 55.06 52.93 1yo4 s HIS 58 Cb -0.12 -1.74 -0.08 0.00 1.11 0.00 0.00 32.58 31.75 1yo4 s HIS 58 CO 0.02 -0.84 1.11 0.99 -0.85 0.00 0.00 174.74 175.17 1yo4 s THR 59 N 1.54 3.72 -0.18 1.30 2.01 -1.21 -0.16 115.64 122.66 1yo4 s THR 59 Ca 0.07 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1yo4 s THR 59 Cb -0.18 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.39 1yo4 s THR 59 CO -0.19 0.29 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.65 1yo4 s TYR 60 N -0.47 2.00 0.14 4.92 1.51 0.13 0.19 117.35 125.78 1yo4 s TYR 60 Ca 0.48 -1.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.13 1yo4 s TYR 60 Cb -0.31 -1.45 -0.07 0.00 -0.11 0.00 0.00 41.96 40.03 1yo4 s TYR 60 CO 0.37 -0.67 0.49 -0.65 -1.11 0.00 0.00 175.55 173.98 1yo4 s GLN 61 N 1.53 3.85 -0.18 -0.62 -0.21 0.11 -0.02 119.66 124.13 1yo4 s GLN 61 Ca -0.00 0.32 -0.01 0.00 0.02 0.00 0.00 55.36 55.68 1yo4 s GLN 61 Cb -0.16 -2.88 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 1yo4 s GLN 61 CO -0.08 0.47 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.27 1yo4 s LEU 62 N -2.17 2.63 -0.86 2.90 0.20 0.11 0.69 118.68 122.18 1yo4 s LEU 62 Ca 0.39 -0.44 -0.07 0.00 0.69 0.00 0.00 54.13 54.70 1yo4 s LEU 62 Cb -0.14 -1.63 0.22 0.00 -0.43 0.00 0.00 46.19 44.21 1yo4 s LEU 62 CO 0.20 0.05 0.77 -0.13 -0.29 0.00 0.00 176.35 176.94 1yo4 s ARG 63 N 1.06 3.40 -0.26 1.98 0.52 0.20 -2.50 118.95 123.35 1yo4 s ARG 63 Ca -0.00 -2.88 -0.35 0.00 -0.52 0.00 0.00 55.73 51.98 1yo4 s ARG 63 Cb -0.15 -4.15 -0.11 0.00 0.52 0.00 0.00 34.95 31.06 1yo4 s ARG 63 CO -0.03 -1.25 2.07 0.00 0.02 0.00 0.00 175.30 176.12 1yo4 n ALA 64 N 3.10 0.99 0.28 2.13 0.00 -1.24 -2.63 120.51 123.13 1yo4 n ALA 64 Ca 0.17 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1yo4 n ALA 64 Cb 0.40 -2.55 0.77 0.00 0.00 0.00 0.00 19.45 18.07 1yo4 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yo4 h ARG 65 N 11.38 0.00 0.00 0.00 2.47 -1.34 -3.45 114.38 123.45 1yo4 h ARG 65 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1yo4 h ARG 65 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1yo4 h ARG 65 CO 0.99 0.02 0.00 0.43 0.56 0.00 0.00 179.97 181.97 1yo4 n SER 66 N -4.13 0.61 -3.90 7.04 7.64 -1.26 -4.92 113.62 114.70 1yo4 n SER 66 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 1yo4 n SER 66 Cb 0.11 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1yo4 n SER 66 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1yo4 n VAL 67 N 0.00 0.00 -1.64 0.44 3.14 -1.26 -4.10 118.33 114.92 1yo4 n VAL 67 Ca 0.00 -1.33 -0.49 0.00 -2.96 0.00 0.00 64.34 59.57 1yo4 n VAL 67 Cb 0.00 -0.50 -0.05 0.00 -1.06 0.00 0.00 33.84 32.23 1yo4 n VAL 67 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1yo4 n SER 68 N -2.31 3.17 0.30 6.55 7.64 -1.08 -4.15 113.62 123.73 1yo4 n SER 68 Ca 0.06 0.80 -0.17 0.00 1.01 0.00 0.00 58.87 60.58 1yo4 n SER 68 Cb 0.40 -1.36 -0.09 0.00 -1.01 0.00 0.00 64.21 62.15 1yo4 n SER 68 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1yo4 h PRO 69 N 10.28 -0.71 0.00 1.43 0.13 -1.94 -3.00 132.00 138.19 1yo4 h PRO 69 Ca -0.44 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1yo4 h PRO 69 Cb 1.28 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1yo4 h PRO 69 CO 0.96 -0.45 -0.92 1.63 -0.23 0.00 0.00 178.00 178.99 1yo4 n LYS 70 N -5.39 0.38 -0.98 0.86 4.01 -1.26 -5.07 118.16 110.71 1yo4 n LYS 70 Ca -0.12 0.05 0.01 0.00 -0.51 0.00 0.00 58.31 57.74 1yo4 n LYS 70 Cb 0.31 -1.68 -0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1yo4 n LYS 70 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yo4 n LEU 71 N -2.20 -1.02 -3.14 -0.35 4.32 -1.14 -4.95 117.00 108.51 1yo4 n LEU 71 Ca 0.02 1.76 -0.13 0.00 -0.02 0.00 0.00 56.01 57.64 1yo4 n LEU 71 Cb 0.47 -1.61 0.06 0.00 -1.62 0.00 0.00 43.42 40.73 1yo4 n LEU 71 CO 0.39 -0.57 0.06 0.49 -1.22 0.00 0.00 177.39 176.54 1yo4 n PHE 72 N -2.28 -2.39 -0.03 -1.77 3.01 -1.26 -4.98 117.46 107.76 1yo4 n PHE 72 Ca -0.00 0.84 -0.00 0.00 1.01 0.00 0.00 57.45 59.30 1yo4 n PHE 72 Cb 0.31 -4.04 -0.00 0.00 -0.01 0.00 0.00 39.48 35.74 1yo4 n PHE 72 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1yo4 h ILE 73 N -0.89 0.00 0.00 4.37 1.08 -1.92 -3.48 117.51 116.67 1yo4 h ILE 73 Ca -0.52 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1yo4 h ILE 73 Cb 1.27 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1yo4 h ILE 73 CO 0.41 0.00 0.00 -2.11 -0.69 0.00 0.00 178.15 175.76 1yo4 n ARG 74 N -3.44 0.00 0.00 2.37 1.85 -1.26 -5.03 116.66 111.15 1yo4 n ARG 74 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1yo4 n ARG 74 Cb 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 1yo4 n ARG 74 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1yo4 n GLN 75 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.85 117.38 114.15 1yo4 n GLN 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1yo4 n GLN 75 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.31 1yo4 n GLN 75 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1yo4 n GLU 76 N 0.00 0.00 -3.11 3.69 -0.00 -1.26 -4.84 120.64 115.12 1yo4 n GLU 76 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.86 1yo4 n GLU 76 Cb 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.47 1yo4 n GLU 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1yo4 n GLU 77 N 0.00 3.34 0.00 3.44 -0.58 -1.26 -4.42 120.64 121.16 1yo4 n GLU 77 Ca 0.00 -4.74 0.00 0.00 -0.42 0.00 0.00 57.16 52.00 1yo4 n GLU 77 Cb 0.00 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 28.57 1yo4 n GLU 77 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1yo4 n VAL 78 N 0.38 0.00 -3.58 2.62 3.14 -1.25 -4.40 118.33 115.24 1yo4 n VAL 78 Ca 0.32 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.49 1yo4 n VAL 78 Cb 0.38 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.13 1yo4 n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yo4 s GLN 79 N 0.00 2.55 -1.03 1.45 -2.07 -1.26 -4.14 119.66 115.16 1yo4 s GLN 79 Ca 0.00 -1.51 -0.24 0.00 -1.82 0.00 0.00 55.36 51.79 1yo4 s GLN 79 Cb 0.00 -2.39 -0.07 0.00 -1.09 0.00 0.00 33.01 29.46 1yo4 s GLN 79 CO 0.00 -0.17 1.96 1.14 -1.32 0.00 0.00 175.29 176.90 1yo4 s GLN 80 N -4.12 2.47 -0.07 9.60 0.00 -1.25 -3.33 119.66 122.96 1yo4 s GLN 80 Ca 0.48 -0.65 -0.26 0.00 -0.00 0.00 0.00 55.36 54.92 1yo4 s GLN 80 Cb -0.03 -5.13 -0.22 0.00 0.00 0.00 0.00 33.01 27.63 1yo4 s GLN 80 CO 0.28 -3.72 1.01 1.05 0.00 0.00 0.00 175.29 173.91 1yo4 h GLU 81 N 10.66 -0.03 0.00 9.60 -0.00 -1.95 -3.44 114.58 129.43 1yo4 h GLU 81 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.51 1yo4 h GLU 81 Cb 0.98 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.73 1yo4 h GLU 81 CO 1.21 0.65 -0.48 -0.11 -0.00 0.00 0.00 179.01 180.28 1yo4 n LEU 82 N -4.77 1.17 -4.40 3.06 0.00 -1.26 -5.07 117.00 105.73 1yo4 n LEU 82 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.72 1yo4 n LEU 82 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.65 1yo4 n LEU 82 CO 0.32 0.15 -0.32 -0.31 0.00 0.00 0.00 177.39 177.23 1yo4 s TYR 83 N -1.57 1.82 -1.28 1.96 2.02 -1.26 -5.06 117.35 113.99 1yo4 s TYR 83 Ca 0.00 -0.87 -0.18 0.00 -0.37 0.00 0.00 57.07 55.64 1yo4 s TYR 83 Cb 0.00 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1yo4 s TYR 83 CO 0.00 0.07 1.88 0.43 -1.57 0.00 0.00 175.55 176.36 1yo4 n SER 84 N -0.56 4.24 -0.26 2.29 7.64 -1.26 -3.77 113.62 121.93 1yo4 n SER 84 Ca -0.04 -2.85 0.03 0.00 1.01 0.00 0.00 58.87 57.02 1yo4 n SER 84 Cb 0.65 -1.69 0.03 0.00 -1.01 0.00 0.00 64.21 62.19 1yo4 n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57