#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 1.00 -0.37 1.61 0.02 -1.26 -4.65 135.00 131.35 1yo4 s PRO -1 Ca 0.00 0.32 0.04 0.00 0.02 0.00 0.00 61.00 61.38 1yo4 s PRO -1 Cb 0.00 -1.82 0.10 0.00 0.02 0.00 0.00 34.50 32.80 1yo4 s PRO -1 CO 0.00 -2.30 0.09 -1.21 -0.33 0.00 0.00 177.00 173.25 1yo4 s GLU 1 N -5.23 1.50 -0.37 5.54 2.02 -1.24 -0.74 118.70 120.17 1yo4 s GLU 1 Ca 0.64 -1.93 -0.18 0.00 0.02 0.00 0.00 54.97 53.52 1yo4 s GLU 1 Cb -0.15 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1yo4 s GLU 1 CO 0.54 -0.97 0.50 -0.51 0.02 0.00 0.00 175.26 174.84 1yo4 s LEU 2 N 0.77 4.46 0.51 1.80 1.02 0.91 -4.72 118.68 123.43 1yo4 s LEU 2 Ca 0.12 -0.20 -0.21 0.00 0.02 0.00 0.00 54.13 53.87 1yo4 s LEU 2 Cb -0.20 -2.55 -0.07 0.00 0.02 0.00 0.00 46.19 43.40 1yo4 s LEU 2 CO -0.08 -0.52 1.11 -0.47 0.02 0.00 0.00 176.35 176.41 1yo4 s TYR 3 N 2.37 2.82 -0.28 0.29 5.04 -1.26 -2.04 117.35 124.29 1yo4 s TYR 3 Ca 0.17 1.56 -0.01 0.00 -2.44 0.00 0.00 57.07 56.35 1yo4 s TYR 3 Cb -0.16 -3.25 0.13 0.00 0.35 0.00 0.00 41.96 39.03 1yo4 s TYR 3 CO 0.14 -1.34 0.27 -1.01 -1.34 0.00 0.00 175.55 172.28 1yo4 s HIS 4 N -1.77 -0.39 -0.14 4.97 3.76 0.27 -4.84 115.29 117.16 1yo4 s HIS 4 Ca 0.69 -0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 55.40 1yo4 s HIS 4 Cb -0.23 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 1yo4 s HIS 4 CO 0.27 -0.86 0.10 1.52 -0.85 0.00 0.00 174.74 174.92 1yo4 s TYR 5 N 2.34 3.43 -0.10 1.40 1.13 -1.26 -0.38 117.35 123.91 1yo4 s TYR 5 Ca 0.09 0.36 0.02 0.00 -1.41 0.00 0.00 57.07 56.13 1yo4 s TYR 5 Cb -0.14 -1.97 0.01 0.00 -1.10 0.00 0.00 41.96 38.75 1yo4 s TYR 5 CO -0.30 0.52 -0.17 -1.14 -2.51 0.00 0.00 175.55 171.95 1yo4 s GLN 6 N -0.53 2.31 -0.39 -3.49 2.00 0.14 -4.91 119.66 114.78 1yo4 s GLN 6 Ca 0.11 -0.61 -0.16 0.00 -2.00 0.00 0.00 55.36 52.70 1yo4 s GLN 6 Cb -0.12 -1.88 0.01 0.00 0.80 0.00 0.00 33.01 31.82 1yo4 s GLN 6 CO 0.02 0.02 0.40 -1.21 -0.50 0.00 0.00 175.29 174.02 1yo4 s GLU 7 N 0.74 3.24 0.13 1.67 2.02 -1.26 0.66 118.70 125.90 1yo4 s GLU 7 Ca -0.12 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.25 1yo4 s GLU 7 Cb -0.16 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 1yo4 s GLU 7 CO 0.02 -0.74 -0.11 0.00 0.02 0.00 0.00 175.26 174.45 1yo4 s VAL 9 N -2.77 4.46 -0.15 0.00 1.01 -1.26 -1.60 120.40 120.08 1yo4 s VAL 9 Ca 0.12 1.77 -0.31 0.00 0.00 0.00 0.00 61.98 63.55 1yo4 s VAL 9 Cb -0.01 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1yo4 s VAL 9 CO 0.01 -0.09 2.09 -1.14 0.00 0.00 0.00 175.10 175.98 1yo4 n ARG 10 N 5.87 2.07 0.00 2.72 0.63 0.09 -1.80 116.66 126.24 1yo4 n ARG 10 Ca 0.12 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1yo4 n ARG 10 Cb 0.46 -2.94 0.00 0.00 0.45 0.00 0.00 32.46 30.43 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 5.32 1.75 2.89 5.14 0.00 -0.63 -4.62 105.19 115.05 1yo4 n GLY 11 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.80 2.61 -2.24 -0.74 -4.78 114.28 105.32 1yo4 n THR 12 Ca 0.00 -1.16 -0.36 0.00 -2.27 0.00 0.00 64.05 60.26 1yo4 n THR 12 Cb 0.00 -1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 67.07 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 -2.25 3.90 0.34 4.28 2.01 -1.26 -0.15 115.64 122.50 1yo4 s THR 13 Ca 0.49 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 1yo4 s THR 13 Cb -0.03 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 1yo4 s THR 13 CO 0.33 0.26 0.77 0.68 -0.69 0.00 0.00 174.62 175.97 1yo4 s VAL 14 N 1.53 4.64 -0.40 3.82 -7.23 0.14 -4.87 120.40 118.03 1yo4 s VAL 14 Ca 0.05 1.02 0.01 0.00 -1.81 0.00 0.00 61.98 61.25 1yo4 s VAL 14 Cb -0.16 -3.61 0.13 0.00 0.56 0.00 0.00 36.38 33.30 1yo4 s VAL 14 CO 0.01 -0.22 0.20 -0.22 -0.31 0.00 0.00 175.10 174.56 1yo4 s LEU 15 N -3.05 2.26 0.14 1.32 2.96 -1.26 -0.47 118.68 120.57 1yo4 s LEU 15 Ca 0.55 -2.34 -0.07 0.00 -0.22 0.00 0.00 54.13 52.06 1yo4 s LEU 15 Cb -0.10 -0.87 -0.06 0.00 0.50 0.00 0.00 46.19 45.66 1yo4 s LEU 15 CO 0.17 -0.31 0.41 -0.76 -1.32 0.00 0.00 176.35 174.54 1yo4 s LEU 16 N 0.75 4.27 0.22 -0.68 1.02 -0.53 -4.81 118.68 118.93 1yo4 s LEU 16 Ca 0.16 0.69 -0.18 0.00 0.02 0.00 0.00 54.13 54.82 1yo4 s LEU 16 Cb -0.23 -3.28 -0.08 0.00 0.02 0.00 0.00 46.19 42.62 1yo4 s LEU 16 CO -0.05 0.06 0.69 -0.54 0.02 0.00 0.00 176.35 176.54 1yo4 s LYS 17 N -2.49 4.15 -0.18 1.70 -0.14 -1.26 0.46 119.74 121.99 1yo4 s LYS 17 Ca 0.40 0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 55.47 1yo4 s LYS 17 Cb -0.12 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1yo4 s LYS 17 CO 0.22 0.37 1.24 -1.21 -0.76 0.00 0.00 175.35 175.21 1yo4 s GLU 18 N -2.14 4.22 0.63 1.68 2.02 0.13 -4.89 118.70 120.36 1yo4 s GLU 18 Ca 0.44 1.61 0.36 0.00 0.02 0.00 0.00 54.97 57.40 1yo4 s GLU 18 Cb -0.15 -3.76 2.02 0.00 0.10 0.00 0.00 34.13 32.35 1yo4 s GLU 18 CO 0.20 -0.71 2.23 -1.35 0.02 0.00 0.00 175.26 175.65 1yo4 h PRO 19 N 8.16 0.00 -3.87 0.39 0.11 -1.96 -3.41 132.00 131.41 1yo4 h PRO 19 Ca -0.25 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.66 1yo4 h PRO 19 Cb 1.10 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.97 1yo4 h PRO 19 CO 0.97 0.00 -0.70 0.00 -0.21 0.00 0.00 178.00 178.06 1yo4 n PRO 21 N 2.18 1.82 -3.15 0.00 -0.04 -1.26 -4.50 135.00 130.05 1yo4 n PRO 21 Ca -0.19 -1.03 0.04 0.00 -0.04 0.00 0.00 63.50 62.28 1yo4 n PRO 21 Cb 0.57 -2.08 -0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1yo4 n PRO 21 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1yo4 s SER 22 N 2.50 -1.36 -0.57 3.54 1.04 -1.26 -4.92 113.70 112.67 1yo4 s SER 22 Ca 0.49 0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.90 1yo4 s SER 22 Cb 0.20 1.87 0.10 0.00 0.10 0.00 0.00 66.02 68.28 1yo4 s SER 22 CO -0.01 -0.25 0.66 -0.83 0.98 0.00 0.00 173.24 173.79 1yo4 s GLY 23 N 2.86 1.81 -0.46 7.32 0.00 -1.26 -3.95 107.32 113.63 1yo4 s GLY 23 Ca 0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 44.72 42.68 1yo4 s GLY 23 CO -0.25 1.51 0.25 -1.59 0.00 0.00 0.00 173.10 173.02 1yo4 s THR 24 N 2.55 3.27 0.16 0.90 2.01 -0.37 -5.01 115.64 119.15 1yo4 s THR 24 Ca 0.11 -2.37 -0.31 0.00 0.31 0.00 0.00 61.69 59.44 1yo4 s THR 24 Cb -0.24 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1yo4 s THR 24 CO 0.07 -0.74 1.34 -0.47 -0.69 0.00 0.00 174.62 174.13 1yo4 s TYR 25 N 0.75 3.26 -0.04 4.92 5.04 -1.26 -0.80 117.35 129.22 1yo4 s TYR 25 Ca 0.11 1.11 0.05 0.00 -2.44 0.00 0.00 57.07 55.90 1yo4 s TYR 25 Cb -0.22 -3.63 -0.01 0.00 0.35 0.00 0.00 41.96 38.46 1yo4 s TYR 25 CO -0.04 -2.06 -0.19 -1.21 -1.34 0.00 0.00 175.55 170.70 1yo4 s GLU 26 N 0.46 1.93 0.00 4.97 0.41 0.81 -4.93 118.70 122.35 1yo4 s GLU 26 Ca 0.60 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 54.47 1yo4 s GLU 26 Cb -0.36 -1.69 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 1yo4 s GLU 26 CO 0.34 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 1yo4 n GLY 27 N 3.00 0.21 1.71 -1.39 0.00 -1.26 0.39 105.19 107.84 1yo4 n GLY 27 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -4.60 1.61 5.15 -1.26 -5.04 115.26 111.11 1yo4 n ASN 28 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1yo4 n ASN 28 Cb 0.00 0.02 -0.03 0.00 -0.53 0.00 0.00 39.78 39.25 1yo4 n ASN 28 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1yo4 s SER 29 N -3.13 6.68 0.24 1.20 0.01 -1.26 -4.99 113.70 112.46 1yo4 s SER 29 Ca 0.00 0.56 -0.31 0.00 1.31 0.00 0.00 55.95 57.51 1yo4 s SER 29 Cb 0.00 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.58 1yo4 s SER 29 CO 0.00 -1.07 1.39 -2.65 0.41 0.00 0.00 173.24 171.32 1yo4 n PRO 30 N 7.33 1.99 -0.10 12.44 -0.02 -1.26 -5.00 135.00 150.37 1yo4 n PRO 30 Ca 0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1yo4 n PRO 30 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1yo4 n PRO 30 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1yo4 n PHE 31 N 1.84 -2.30 -3.32 6.00 -0.00 -1.26 -5.02 117.46 113.40 1yo4 n PHE 31 Ca 0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.39 1yo4 n PHE 31 Cb 0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.72 1yo4 n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1yo4 s HIS 32 N -0.26 -0.15 -0.21 2.97 2.46 -1.11 -4.94 115.29 114.05 1yo4 s HIS 32 Ca 0.00 -1.09 -0.29 0.00 0.47 0.00 0.00 55.06 54.15 1yo4 s HIS 32 Cb 0.00 -0.44 -0.04 0.00 -0.13 0.00 0.00 32.58 31.97 1yo4 s HIS 32 CO 0.00 -0.97 1.76 -2.14 -2.47 0.00 0.00 174.74 170.92 1yo4 s PRO 33 N 1.13 3.68 0.20 2.88 0.02 -1.25 -0.46 135.00 141.20 1yo4 s PRO 33 Ca 0.21 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1yo4 s PRO 33 Cb -0.11 -4.12 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 1yo4 s PRO 33 CO -0.05 -1.44 0.08 -0.51 -0.33 0.00 0.00 177.00 174.75 1yo4 s LEU 34 N 5.77 1.62 0.00 -5.54 1.43 0.25 -4.95 118.68 117.25 1yo4 s LEU 34 Ca 0.78 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1yo4 s LEU 34 Cb -0.28 0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.10 1yo4 s LEU 34 CO 0.32 -0.73 0.00 0.00 0.23 0.00 0.00 176.35 176.17 1yo4 n ALA 35 N -0.30 0.00 -0.68 4.21 0.00 -1.26 -2.34 120.51 120.15 1yo4 n ALA 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yo4 n ALA 35 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 7.69 0.00 -2.73 0.00 2.03 -1.26 -4.83 116.55 117.46 1yo4 n ASP 36 Ca 0.00 0.39 -0.08 0.00 0.52 0.00 0.00 54.79 55.62 1yo4 n ASP 36 Cb 0.00 -0.16 0.10 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.99 -1.86 -4.37 1.67 5.03 -1.24 -5.12 115.26 108.38 1yo4 n ASN 37 Ca 0.00 -2.99 -0.22 0.00 0.87 0.00 0.00 54.58 52.24 1yo4 n ASN 37 Cb 0.00 1.27 -0.11 0.00 -1.02 0.00 0.00 39.78 39.92 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 0.01 1.39 -0.08 3.52 1.02 -0.99 0.21 119.74 124.82 1yo4 s LYS 38 Ca 0.23 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 54.73 1yo4 s LYS 38 Cb 0.36 -1.46 0.01 0.00 -0.52 0.00 0.00 37.83 36.22 1yo4 s LYS 38 CO -0.07 0.29 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.91 1yo4 s PHE 39 N -2.20 1.79 0.06 3.18 -0.12 0.17 0.84 117.98 121.70 1yo4 s PHE 39 Ca 0.20 -0.73 -0.20 0.00 -0.05 0.00 0.00 56.93 56.15 1yo4 s PHE 39 Cb -0.05 -1.28 -0.06 0.00 -0.63 0.00 0.00 43.02 41.00 1yo4 s PHE 39 CO 0.09 -0.35 0.60 0.00 -0.05 0.00 0.00 175.22 175.50 1yo4 s ALA 40 N 0.69 3.54 0.03 1.99 0.00 0.39 -1.45 121.76 126.95 1yo4 s ALA 40 Ca -0.13 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 1yo4 s ALA 40 Cb -0.16 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1yo4 s ALA 40 CO 0.03 0.31 0.17 -1.17 0.00 0.00 0.00 175.76 175.10 1yo4 s LEU 41 N -0.81 1.48 -0.33 0.00 0.20 0.37 -2.76 118.68 116.84 1yo4 s LEU 41 Ca 0.30 -0.37 -0.27 0.00 0.69 0.00 0.00 54.13 54.48 1yo4 s LEU 41 Cb -0.19 0.84 0.01 0.00 -0.43 0.00 0.00 46.19 46.42 1yo4 s LEU 41 CO 0.19 -0.52 0.96 -0.89 -0.29 0.00 0.00 176.35 175.81 1yo4 s THR 42 N -2.39 4.60 -0.58 3.68 2.01 -1.26 0.28 115.64 121.98 1yo4 s THR 42 Ca -0.07 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1yo4 s THR 42 Cb -0.02 -4.33 -0.12 0.00 0.01 0.00 0.00 72.50 68.04 1yo4 s THR 42 CO -0.03 -0.43 2.43 0.00 -0.69 0.00 0.00 174.62 175.89 1yo4 s THR 44 N 9.95 0.19 -1.26 0.00 -1.32 -1.26 -1.60 115.64 120.34 1yo4 s THR 44 Ca 1.11 -1.57 -0.19 0.00 -1.21 0.00 0.00 61.69 59.84 1yo4 s THR 44 Cb -0.65 -1.34 0.02 0.00 -1.51 0.00 0.00 72.50 69.02 1yo4 s THR 44 CO 0.39 -0.87 1.86 -1.20 -2.21 0.00 0.00 174.62 172.59 1yo4 n SER 45 N 0.26 4.23 -4.09 8.08 7.64 -1.26 -4.14 113.62 124.33 1yo4 n SER 45 Ca -0.15 -2.84 -0.08 0.00 1.01 0.00 0.00 58.87 56.80 1yo4 n SER 45 Cb 0.61 -1.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.01 1yo4 n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1yo4 s THR 46 N 5.76 0.18 0.08 0.44 -1.32 -1.22 -5.00 115.64 114.56 1yo4 s THR 46 Ca 0.57 -1.79 0.06 0.00 -1.21 0.00 0.00 61.69 59.31 1yo4 s THR 46 Cb 0.05 -1.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 1yo4 s THR 46 CO 0.07 -0.81 -0.15 -1.38 -2.21 0.00 0.00 174.62 170.15 1yo4 s HIS 47 N -3.95 1.32 0.03 9.09 0.00 -1.26 -1.01 115.29 119.51 1yo4 s HIS 47 Ca 0.12 -0.47 -0.01 0.00 -3.00 0.00 0.00 55.06 51.70 1yo4 s HIS 47 Cb 0.08 -0.73 0.00 0.00 -4.00 0.00 0.00 32.58 27.93 1yo4 s HIS 47 CO -0.06 0.09 0.05 1.97 -1.00 0.00 0.00 174.74 175.79 1yo4 n PHE 48 N 1.14 -0.78 -3.90 0.38 1.16 0.08 -4.67 117.46 110.87 1yo4 n PHE 48 Ca -0.20 -0.19 -0.11 0.00 -1.87 0.00 0.00 57.45 55.08 1yo4 n PHE 48 Cb 0.54 0.06 -0.11 0.00 -1.61 0.00 0.00 39.48 38.37 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 -1.42 -0.17 -0.17 1.98 0.00 0.16 0.58 121.76 122.72 1yo4 s ALA 49 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1yo4 s ALA 49 Cb -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1yo4 s ALA 49 CO 0.01 -0.17 -0.12 0.12 0.00 0.00 0.00 175.76 175.61 1yo4 s PHE 50 N -1.16 2.85 -0.17 0.00 2.19 0.10 -0.13 117.98 121.65 1yo4 s PHE 50 Ca -0.13 -0.96 -0.04 0.00 0.33 0.00 0.00 56.93 56.13 1yo4 s PHE 50 Cb -0.07 -1.95 -0.02 0.00 -1.31 0.00 0.00 43.02 39.67 1yo4 s PHE 50 CO 0.01 -0.46 -0.03 0.00 1.83 0.00 0.00 175.22 176.56 1yo4 s ALA 51 N 0.94 2.96 0.38 11.12 0.00 0.02 -0.03 121.76 137.15 1yo4 s ALA 51 Ca -0.02 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1yo4 s ALA 51 Cb -0.15 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1yo4 s ALA 51 CO -0.01 0.04 0.52 0.00 0.00 0.00 0.00 175.76 176.31 1yo4 h ALA 53 N 0.76 1.00 0.00 0.00 0.00 -1.89 -1.19 119.26 117.95 1yo4 h ALA 53 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1yo4 h ALA 53 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1yo4 h ALA 53 CO 0.49 0.00 -0.20 0.22 0.00 0.00 0.00 179.25 179.76 1yo4 h ASP 54 N 0.00 0.00 0.00 0.00 3.58 -1.94 -3.46 116.42 114.60 1yo4 h ASP 54 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1yo4 h ASP 54 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1yo4 h ASP 54 CO 0.00 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 1yo4 n GLY 55 N -0.65 0.78 3.74 -0.78 0.00 -0.45 -5.01 105.19 102.82 1yo4 n GLY 55 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.15 -0.06 2.61 -4.23 -1.25 -3.83 115.64 111.02 1yo4 s THR 56 Ca 0.00 1.94 0.02 0.00 -1.18 0.00 0.00 61.69 62.47 1yo4 s THR 56 Cb 0.00 -4.24 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 1yo4 s THR 56 CO 0.00 0.38 -0.11 -0.60 -0.54 0.00 0.00 174.62 173.74 1yo4 s ARG 57 N -0.59 2.66 -0.23 3.99 3.52 0.08 -1.20 118.95 127.18 1yo4 s ARG 57 Ca 0.45 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1yo4 s ARG 57 Cb -0.26 -2.48 0.06 0.00 -1.56 0.00 0.00 34.95 30.71 1yo4 s ARG 57 CO 0.32 0.61 -0.04 -1.01 -0.81 0.00 0.00 175.30 174.37 1yo4 s HIS 58 N -0.68 2.19 -0.21 5.12 3.76 0.95 -0.06 115.29 126.36 1yo4 s HIS 58 Ca 0.10 -1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 53.11 1yo4 s HIS 58 Cb -0.11 -1.49 -0.00 0.00 1.11 0.00 0.00 32.58 32.08 1yo4 s HIS 58 CO 0.01 -0.75 1.17 0.99 -0.85 0.00 0.00 174.74 175.31 1yo4 s THR 59 N 1.47 4.44 -0.10 1.30 2.01 -0.86 0.03 115.64 123.93 1yo4 s THR 59 Ca -0.05 1.73 -0.02 0.00 0.31 0.00 0.00 61.69 63.66 1yo4 s THR 59 Cb -0.19 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1yo4 s THR 59 CO -0.06 -0.20 0.01 -0.31 -0.69 0.00 0.00 174.62 173.37 1yo4 s TYR 60 N 3.46 3.19 -0.01 4.92 1.51 0.20 0.95 117.35 131.56 1yo4 s TYR 60 Ca 0.50 0.19 0.06 0.00 -1.01 0.00 0.00 57.07 56.80 1yo4 s TYR 60 Cb -0.18 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1yo4 s TYR 60 CO 0.12 0.45 -0.18 -0.65 -1.11 0.00 0.00 175.55 174.18 1yo4 s GLN 61 N -0.78 1.47 -0.28 -0.62 -1.52 0.49 -0.74 119.66 117.68 1yo4 s GLN 61 Ca 0.12 -0.66 -0.02 0.00 -1.95 0.00 0.00 55.36 52.85 1yo4 s GLN 61 Cb -0.12 -1.43 0.04 0.00 -0.22 0.00 0.00 33.01 31.29 1yo4 s GLN 61 CO 0.02 0.39 -0.03 -0.51 -0.25 0.00 0.00 175.29 174.92 1yo4 s LEU 62 N -0.46 3.58 -1.16 2.90 1.43 -0.18 0.23 118.68 125.02 1yo4 s LEU 62 Ca 0.07 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 1yo4 s LEU 62 Cb -0.07 -1.69 0.23 0.00 0.03 0.00 0.00 46.19 44.69 1yo4 s LEU 62 CO -0.01 -0.20 1.30 0.54 0.23 0.00 0.00 176.35 178.22 1yo4 n ARG 63 N 4.65 3.53 -1.97 1.70 5.12 0.21 -3.42 116.66 126.47 1yo4 n ARG 63 Ca -0.15 -4.18 -0.37 0.00 -1.93 0.00 0.00 57.85 51.22 1yo4 n ARG 63 Cb 0.45 -2.76 -0.03 0.00 -1.16 0.00 0.00 32.46 28.95 1yo4 n ARG 63 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yo4 s ALA 64 N -0.15 2.05 -0.10 7.54 0.00 -1.25 -2.17 121.76 127.68 1yo4 s ALA 64 Ca 0.36 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1yo4 s ALA 64 Cb -0.05 -4.33 0.11 0.00 0.00 0.00 0.00 23.12 18.85 1yo4 s ALA 64 CO -0.03 -4.05 1.49 2.89 0.00 0.00 0.00 175.76 176.06 1yo4 n ARG 65 N 9.15 1.28 0.00 0.00 1.85 -0.63 -4.71 116.66 123.59 1yo4 n ARG 65 Ca 0.24 -0.61 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 1yo4 n ARG 65 Cb 0.52 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 1yo4 n ARG 65 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1yo4 n SER 66 N 0.50 0.00 -4.19 2.89 7.64 -1.26 -3.38 113.62 115.82 1yo4 n SER 66 Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.59 1yo4 n SER 66 Cb 0.65 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.79 1yo4 n SER 66 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1yo4 s VAL 67 N 0.00 4.43 0.27 0.44 0.11 -1.26 -0.73 120.40 123.66 1yo4 s VAL 67 Ca 0.00 -2.62 -0.02 0.00 -2.93 0.00 0.00 61.98 56.41 1yo4 s VAL 67 Cb 0.00 -3.83 0.29 0.00 -1.53 0.00 0.00 36.38 31.31 1yo4 s VAL 67 CO 0.00 -0.91 1.65 0.28 -3.33 0.00 0.00 175.10 172.79 1yo4 h SER 68 N 7.49 -0.10 -0.47 3.54 0.02 -1.84 0.62 113.55 122.81 1yo4 h SER 68 Ca -0.00 0.19 0.14 0.00 -0.84 0.00 0.00 61.79 61.27 1yo4 h SER 68 Cb 1.00 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1yo4 h SER 68 CO 0.75 -0.14 0.58 1.55 -1.14 0.00 0.00 176.83 178.43 1yo4 h PRO 69 N 0.19 0.00 0.00 3.45 0.13 -1.93 -0.89 132.00 132.95 1yo4 h PRO 69 Ca 0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.51 1yo4 h PRO 69 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1yo4 h PRO 69 CO -0.64 0.00 -1.66 1.63 -0.23 0.00 0.00 178.00 177.10 1yo4 n LYS 70 N -3.52 1.34 0.00 0.86 5.02 0.10 -4.63 118.16 117.34 1yo4 n LYS 70 Ca 0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1yo4 n LYS 70 Cb 0.76 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1yo4 n LYS 70 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yo4 n LEU 71 N -2.18 0.00 -0.76 -0.35 4.77 0.18 -1.88 117.00 116.78 1yo4 n LEU 71 Ca -0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 1yo4 n LEU 71 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1yo4 n LEU 71 CO 0.24 0.00 -0.09 0.49 -1.33 0.00 0.00 177.39 176.70 1yo4 n PHE 72 N 0.00 0.00 -3.86 -1.77 3.01 -1.07 -4.44 117.46 109.33 1yo4 n PHE 72 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1yo4 n PHE 72 Cb 0.00 -2.25 -0.12 0.00 -0.01 0.00 0.00 39.48 37.11 1yo4 n PHE 72 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1yo4 s ILE 73 N -2.12 3.09 0.00 4.37 -1.09 -1.26 -4.73 121.20 119.46 1yo4 s ILE 73 Ca 0.00 -3.64 0.00 0.00 -2.23 0.00 0.00 60.65 54.78 1yo4 s ILE 73 Cb 0.00 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1yo4 s ILE 73 CO 0.00 -0.91 0.00 -2.11 -1.23 0.00 0.00 174.94 170.69 1yo4 n ARG 74 N 2.71 0.00 -2.94 2.79 1.85 -1.26 -4.77 116.66 115.05 1yo4 n ARG 74 Ca 0.12 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.71 1yo4 n ARG 74 Cb 0.34 -1.95 -0.04 0.00 -1.05 0.00 0.00 32.46 29.77 1yo4 n ARG 74 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1yo4 n GLN 75 N -1.84 3.00 -1.66 2.89 6.02 -1.26 -4.90 117.38 119.63 1yo4 n GLN 75 Ca 0.00 -4.68 -0.47 0.00 -0.01 0.00 0.00 57.00 51.84 1yo4 n GLN 75 Cb 0.00 -2.18 -0.05 0.00 1.02 0.00 0.00 30.24 29.04 1yo4 n GLN 75 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1yo4 n GLU 76 N -0.21 2.01 -3.64 -1.09 -0.58 -1.26 -1.90 120.64 113.97 1yo4 n GLU 76 Ca 0.31 0.73 -0.25 0.00 -0.42 0.00 0.00 57.16 57.52 1yo4 n GLU 76 Cb 0.44 -2.49 0.07 0.00 -0.57 0.00 0.00 31.44 28.88 1yo4 n GLU 76 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1yo4 n GLU 77 N 3.88 -7.28 0.00 3.49 -0.58 -1.12 -2.06 120.64 116.97 1yo4 n GLU 77 Ca 0.18 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1yo4 n GLU 77 Cb 0.27 -5.79 0.00 0.00 -0.57 0.00 0.00 31.44 25.35 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 -4.92 0.00 -1.28 2.62 3.14 -0.79 -4.90 118.33 112.21 1yo4 n VAL 78 Ca 0.01 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.56 1yo4 n VAL 78 Cb 0.55 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.29 1yo4 n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yo4 n GLN 79 N -0.17 -2.61 -0.92 1.45 10.64 -0.88 -4.87 117.38 120.03 1yo4 n GLN 79 Ca 0.00 1.76 0.00 0.00 -1.83 0.00 0.00 57.00 56.93 1yo4 n GLN 79 Cb 0.00 -3.17 0.00 0.00 -0.86 0.00 0.00 30.24 26.21 1yo4 n GLN 79 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1yo4 n GLN 80 N -3.91 -0.69 -0.01 2.61 -0.06 -1.26 -4.86 117.38 109.19 1yo4 n GLN 80 Ca 0.00 0.17 -0.00 0.00 -2.00 0.00 0.00 57.00 55.17 1yo4 n GLN 80 Cb 0.59 -3.86 -0.00 0.00 -4.06 0.00 0.00 30.24 22.90 1yo4 n GLN 80 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1yo4 h GLU 81 N 0.80 0.00 0.00 3.69 4.39 -1.90 -3.48 114.58 118.08 1yo4 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yo4 h GLU 81 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1yo4 h GLU 81 CO 0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1yo4 n LEU 82 N -2.50 0.00 -0.34 1.33 4.77 -1.26 -4.91 117.00 114.09 1yo4 n LEU 82 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1yo4 n LEU 82 Cb 0.02 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1yo4 n LEU 82 CO 0.01 0.00 0.29 -1.22 -1.33 0.00 0.00 177.39 175.14 1yo4 n TYR 83 N -1.15 0.00 -1.78 -1.77 4.02 -1.26 -4.98 117.16 110.24 1yo4 n TYR 83 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1yo4 n TYR 83 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1yo4 n TYR 83 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1yo4 n SER 84 N 0.04 -4.23 0.00 7.72 7.64 -1.26 -4.91 113.62 118.62 1yo4 n SER 84 Ca 0.06 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1yo4 n SER 84 Cb 0.28 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 1yo4 n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57