#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya5 s ALA 2 N 0.00 4.40 0.18 3.04 0.00 -1.26 -4.87 121.76 123.26 1ya5 s ALA 2 Ca 0.00 -3.69 -0.24 0.00 0.00 0.00 0.00 51.96 48.03 1ya5 s ALA 2 Cb 0.00 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.65 1ya5 s ALA 2 CO 0.00 -2.20 0.44 0.25 0.00 0.00 0.00 175.76 174.25 1ya5 n THR 3 N 2.96 1.70 -4.88 0.00 -2.24 -1.25 -4.79 114.28 105.76 1ya5 n THR 3 Ca 0.20 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1ya5 n THR 3 Cb 0.40 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 1ya5 n THR 3 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ya5 s SER 4 N -0.87 3.92 -0.27 3.42 0.01 0.17 -4.95 113.70 115.13 1ya5 s SER 4 Ca 0.56 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 1ya5 s SER 4 Cb -0.80 -1.16 0.04 0.00 0.21 0.00 0.00 66.02 64.31 1ya5 s SER 4 CO 0.49 0.26 -0.04 -1.61 0.41 0.00 0.00 173.24 172.76 1ya5 s GLU 5 N -0.24 2.66 -0.14 12.44 0.41 -1.26 -0.90 118.70 131.67 1ya5 s GLU 5 Ca 0.01 -1.10 -0.04 0.00 -0.41 0.00 0.00 54.97 53.43 1ya5 s GLU 5 Cb -0.13 -3.06 -0.03 0.00 -1.78 0.00 0.00 34.13 29.12 1ya5 s GLU 5 CO 0.03 -0.49 -0.01 -0.51 -0.49 0.00 0.00 175.26 173.78 1ya5 s LEU 6 N 1.29 3.40 0.27 1.80 1.02 -0.23 -5.02 118.68 121.21 1ya5 s LEU 6 Ca -0.02 -0.04 0.09 0.00 0.02 0.00 0.00 54.13 54.18 1ya5 s LEU 6 Cb -0.18 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 1ya5 s LEU 6 CO -0.03 0.22 0.05 -0.44 0.02 0.00 0.00 176.35 176.16 1ya5 s SER 7 N 0.09 4.77 -0.01 2.29 0.01 -1.26 -1.22 113.70 118.37 1ya5 s SER 7 Ca 0.01 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.75 1ya5 s SER 7 Cb -0.13 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.12 1ya5 s SER 7 CO 0.02 -0.02 -0.14 -0.44 0.41 0.00 0.00 173.24 173.07 1ya5 s SER 8 N -3.72 1.65 0.18 2.44 0.01 -0.48 -4.84 113.70 108.94 1ya5 s SER 8 Ca 0.32 -0.28 0.11 0.00 1.31 0.00 0.00 55.95 57.41 1ya5 s SER 8 Cb -0.07 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 1ya5 s SER 8 CO 0.21 0.16 -0.23 -1.61 0.41 0.00 0.00 173.24 172.18 1ya5 s GLU 9 N -0.42 1.45 0.03 12.44 8.01 -1.26 -1.12 118.70 137.83 1ya5 s GLU 9 Ca 0.05 -1.48 0.03 0.00 0.01 0.00 0.00 54.97 53.58 1ya5 s GLU 9 Cb -0.06 -1.72 -0.02 0.00 -4.31 0.00 0.00 34.13 28.02 1ya5 s GLU 9 CO -0.00 0.37 -0.10 0.08 0.01 0.00 0.00 175.26 175.62 1ya5 s VAL 10 N -1.71 0.74 -0.12 2.63 1.01 -0.09 -4.99 120.40 117.88 1ya5 s VAL 10 Ca 0.19 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1ya5 s VAL 10 Cb -0.08 -0.72 0.05 0.00 0.00 0.00 0.00 36.38 35.63 1ya5 s VAL 10 CO 0.09 -0.15 0.27 -0.55 0.00 0.00 0.00 175.10 174.76 1ya5 s SER 11 N -1.16 -0.28 -0.02 3.32 0.15 -1.26 -1.02 113.70 113.42 1ya5 s SER 11 Ca -0.03 0.59 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1ya5 s SER 11 Cb -0.08 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1ya5 s SER 11 CO 0.01 -0.17 -0.03 -1.61 1.20 0.00 0.00 173.24 172.63 1ya5 s GLU 12 N 1.34 0.51 -0.21 5.44 2.02 0.12 -5.00 118.70 122.92 1ya5 s GLU 12 Ca -0.09 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 54.83 1ya5 s GLU 12 Cb -0.10 -0.55 0.04 0.00 0.10 0.00 0.00 34.13 33.62 1ya5 s GLU 12 CO -0.09 -0.02 -0.10 -1.83 0.02 0.00 0.00 175.26 173.24 1ya5 s GLU 13 N 0.52 2.04 -0.46 1.61 4.04 -1.26 -1.78 118.70 123.40 1ya5 s GLU 13 Ca -0.06 -0.90 -0.21 0.00 0.04 0.00 0.00 54.97 53.85 1ya5 s GLU 13 Cb -0.09 -2.47 0.03 0.00 0.02 0.00 0.00 34.13 31.62 1ya5 s GLU 13 CO -0.00 -0.45 0.68 1.21 -1.84 0.00 0.00 175.26 174.86 1ya5 s ASN 14 N 1.37 6.32 0.03 0.83 3.84 0.15 -4.94 114.94 122.54 1ya5 s ASN 14 Ca -0.02 -0.42 0.00 0.00 0.21 0.00 0.00 52.86 52.63 1ya5 s ASN 14 Cb -0.17 -2.33 -0.26 0.00 -0.55 0.00 0.00 41.25 37.94 1ya5 s ASN 14 CO -0.08 -0.85 0.97 0.77 -2.79 0.00 0.00 177.10 175.11 1ya5 h SER 15 N 8.95 0.29 0.61 -4.21 4.64 -1.96 0.24 113.55 122.10 1ya5 h SER 15 Ca -0.26 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 60.66 1ya5 h SER 15 Cb 1.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1ya5 h SER 15 CO 0.93 1.31 -0.35 -0.08 -0.87 0.00 0.00 176.83 177.77 1ya5 h GLU 16 N 0.05 -0.86 -0.70 4.77 4.81 -1.96 -3.13 114.58 117.56 1ya5 h GLU 16 Ca -0.19 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1ya5 h GLU 16 Cb 1.96 0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.54 1ya5 h GLU 16 CO 0.16 -0.58 0.00 0.54 -0.73 0.00 0.00 179.01 178.40 1ya5 n ARG 17 N -5.49 3.19 -3.61 1.92 5.12 -1.25 -4.97 116.66 111.56 1ya5 n ARG 17 Ca -0.13 -2.74 -0.26 0.00 -1.93 0.00 0.00 57.85 52.80 1ya5 n ARG 17 Cb 0.38 -1.73 0.04 0.00 -1.16 0.00 0.00 32.46 30.00 1ya5 n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ya5 n ARG 18 N 1.40 -2.30 -4.11 5.56 5.12 -0.08 -4.99 116.66 117.26 1ya5 n ARG 18 Ca 0.25 0.57 -0.15 0.00 -1.93 0.00 0.00 57.85 56.59 1ya5 n ARG 18 Cb 0.75 -4.71 -0.12 0.00 -1.16 0.00 0.00 32.46 27.22 1ya5 n ARG 18 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ya5 s GLU 19 N -5.68 0.61 0.05 5.56 2.02 -0.32 -5.01 118.70 115.92 1ya5 s GLU 19 Ca 0.35 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.54 1ya5 s GLU 19 Cb -0.10 -0.46 -0.02 0.00 0.10 0.00 0.00 34.13 33.65 1ya5 s GLU 19 CO 0.83 0.09 0.06 0.00 0.02 0.00 0.00 175.26 176.27 1ya5 s ALA 20 N -1.22 0.08 -0.28 5.21 0.00 -1.26 0.32 121.76 124.61 1ya5 s ALA 20 Ca -0.07 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1ya5 s ALA 20 Cb -0.09 0.28 0.10 0.00 0.00 0.00 0.00 23.12 23.41 1ya5 s ALA 20 CO 0.01 -0.34 0.80 0.12 0.00 0.00 0.00 175.76 176.35 1ya5 s PHE 21 N -3.03 -0.84 0.17 0.00 5.36 -0.74 -5.00 117.98 113.91 1ya5 s PHE 21 Ca -0.01 1.75 -0.07 0.00 -0.96 0.00 0.00 56.93 57.63 1ya5 s PHE 21 Cb 0.01 0.48 -0.02 0.00 -0.34 0.00 0.00 43.02 43.16 1ya5 s PHE 21 CO -0.07 -0.41 0.25 1.67 -1.46 0.00 0.00 175.22 175.20 1ya5 s TRP 22 N 1.27 0.54 -0.28 10.12 -2.14 -1.26 0.13 118.94 127.31 1ya5 s TRP 22 Ca -0.07 -0.89 -0.17 0.00 2.66 0.00 0.00 56.10 57.63 1ya5 s TRP 22 Cb -0.05 -0.15 0.08 0.00 -3.10 0.00 0.00 33.47 30.26 1ya5 s TRP 22 CO -0.15 -0.70 0.70 0.00 -2.66 0.00 0.00 176.95 174.14 1ya5 s ALA 23 N -4.00 -1.88 -0.06 2.67 0.00 -0.19 -4.97 121.76 113.33 1ya5 s ALA 23 Ca 0.21 2.39 0.02 0.00 0.00 0.00 0.00 51.96 54.58 1ya5 s ALA 23 Cb 0.04 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1ya5 s ALA 23 CO 0.02 -0.37 -0.12 -2.00 0.00 0.00 0.00 175.76 173.29 1ya5 s GLU 24 N 1.51 1.60 0.00 0.00 2.12 -1.26 -0.91 118.70 121.76 1ya5 s GLU 24 Ca -0.09 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 54.78 1ya5 s GLU 24 Cb -0.05 -1.35 -0.00 0.00 0.26 0.00 0.00 34.13 32.99 1ya5 s GLU 24 CO -0.18 0.05 0.09 1.67 -0.54 0.00 0.00 175.26 176.35 1ya5 s TRP 25 N 0.58 0.08 -0.37 5.30 -2.14 -0.28 -5.00 118.94 117.11 1ya5 s TRP 25 Ca -0.13 -0.18 -0.28 0.00 2.66 0.00 0.00 56.10 58.17 1ya5 s TRP 25 Cb -0.15 -0.07 -0.04 0.00 -3.10 0.00 0.00 33.47 30.11 1ya5 s TRP 25 CO 0.03 -0.24 2.04 0.15 -2.66 0.00 0.00 176.95 176.27 1ya5 s LYS 26 N -1.25 2.95 -0.18 3.25 1.02 -1.26 -1.38 119.74 122.89 1ya5 s LYS 26 Ca -0.13 1.48 -0.15 0.00 0.02 0.00 0.00 55.97 57.18 1ya5 s LYS 26 Cb -0.07 -4.35 -0.07 0.00 -0.52 0.00 0.00 37.83 32.82 1ya5 s LYS 26 CO 0.01 -2.31 -0.26 -3.47 -0.92 0.00 0.00 175.35 168.39 1ya5 n ASP 27 N 12.07 1.90 -4.24 2.83 -0.08 -0.36 -4.64 116.55 124.03 1ya5 n ASP 27 Ca 0.27 0.43 -0.29 0.00 -1.51 0.00 0.00 54.79 53.69 1ya5 n ASP 27 Cb 0.48 -0.80 -0.16 0.00 2.34 0.00 0.00 41.12 42.98 1ya5 n ASP 27 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1ya5 s LEU 28 N -7.96 2.03 -0.06 -2.67 2.96 -0.82 -0.49 118.68 111.68 1ya5 s LEU 28 Ca -0.26 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.26 1ya5 s LEU 28 Cb 0.05 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.57 1ya5 s LEU 28 CO 0.38 0.26 -0.13 0.28 -1.32 0.00 0.00 176.35 175.82 1ya5 s THR 29 N -0.39 1.18 -0.13 3.68 -1.32 0.33 -1.07 115.64 117.91 1ya5 s THR 29 Ca 0.05 -0.52 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1ya5 s THR 29 Cb -0.10 -1.06 0.01 0.00 -1.51 0.00 0.00 72.50 69.84 1ya5 s THR 29 CO 0.00 0.36 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.37 1ya5 s LEU 30 N 0.56 1.90 0.23 9.08 2.96 -0.08 -1.12 118.68 132.20 1ya5 s LEU 30 Ca -0.13 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1ya5 s LEU 30 Cb -0.15 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 1ya5 s LEU 30 CO 0.04 0.03 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.07 1ya5 s SER 31 N 1.03 2.42 -0.18 3.68 1.04 -0.53 0.44 113.70 121.59 1ya5 s SER 31 Ca -0.04 -1.11 -0.09 0.00 0.48 0.00 0.00 55.95 55.20 1ya5 s SER 31 Cb -0.15 -0.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 1ya5 s SER 31 CO -0.04 -0.30 0.11 -0.89 0.98 0.00 0.00 173.24 173.09 1ya5 s THR 32 N -3.10 5.19 -0.13 2.02 2.01 -1.26 -0.72 115.64 119.65 1ya5 s THR 32 Ca 0.25 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.30 1ya5 s THR 32 Cb 0.02 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1ya5 s THR 32 CO 0.08 0.47 0.07 -0.13 -0.69 0.00 0.00 174.62 174.42 1ya5 s ARG 33 N 0.17 3.50 0.98 4.92 1.81 0.08 -3.58 118.95 126.83 1ya5 s ARG 33 Ca 0.07 -0.30 -0.14 0.00 -1.72 0.00 0.00 55.73 53.64 1ya5 s ARG 33 Cb -0.12 -3.07 0.02 0.00 -0.45 0.00 0.00 34.95 31.34 1ya5 s ARG 33 CO -0.01 0.56 0.18 -0.35 -0.68 0.00 0.00 175.30 175.01 1ya5 n PRO 34 N 2.63 -0.48 -0.12 3.54 -0.04 -1.26 -3.23 135.00 136.04 1ya5 n PRO 34 Ca -0.18 -0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.05 1ya5 n PRO 34 Cb 0.53 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1ya5 n PRO 34 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ya5 h GLU 35 N -1.58 0.92 -0.27 0.54 5.08 -1.94 -1.18 114.58 116.15 1ya5 h GLU 35 Ca -0.45 -0.44 0.08 0.00 -1.00 0.00 0.00 59.36 57.54 1ya5 h GLU 35 Cb 1.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1ya5 h GLU 35 CO 0.33 1.10 0.39 0.93 -1.00 0.00 0.00 179.01 180.76 1ya5 h GLU 36 N 0.77 0.00 -0.77 2.33 3.07 -1.90 -1.70 114.58 116.38 1ya5 h GLU 36 Ca 0.08 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.07 1ya5 h GLU 36 Cb 0.89 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 1ya5 h GLU 36 CO 0.08 0.00 0.51 0.78 -1.40 0.00 0.00 179.01 178.98 1ya5 h GLY 37 N 0.00 0.89 -6.92 -3.84 0.00 -1.50 -3.37 103.07 88.33 1ya5 h GLY 37 Ca 0.13 -0.24 -0.39 0.00 0.00 0.00 0.00 47.33 46.83 1ya5 h GLY 37 CO -0.00 0.11 -0.69 -1.35 0.00 0.00 0.00 176.54 174.60 1ya5 s SER 38 N -5.98 1.88 0.19 0.19 1.04 -0.66 -5.07 113.70 105.29 1ya5 s SER 38 Ca -0.09 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1ya5 s SER 38 Cb 0.21 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1ya5 s SER 38 CO 0.77 -0.34 0.15 -0.94 0.98 0.00 0.00 173.24 173.86 1ya5 s SER 39 N 2.23 0.15 -0.10 7.02 1.04 -1.26 -2.37 113.70 120.41 1ya5 s SER 39 Ca 0.04 -1.32 -0.09 0.00 0.48 0.00 0.00 55.95 55.07 1ya5 s SER 39 Cb -0.16 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.37 1ya5 s SER 39 CO -0.10 -0.85 0.26 -0.22 0.98 0.00 0.00 173.24 173.31 1ya5 s LEU 40 N -3.13 0.93 0.00 2.42 2.96 -0.40 -5.00 118.68 116.47 1ya5 s LEU 40 Ca 0.35 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1ya5 s LEU 40 Cb 0.06 0.88 -0.00 0.00 0.50 0.00 0.00 46.19 47.63 1ya5 s LEU 40 CO 0.10 -0.10 -0.01 -1.38 -1.32 0.00 0.00 176.35 173.64 1ya5 s HIS 41 N 0.29 0.11 -0.08 5.38 -3.43 -1.26 -1.06 115.29 115.24 1ya5 s HIS 41 Ca -0.01 -0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 1ya5 s HIS 41 Cb -0.03 -0.07 0.02 0.00 -1.43 0.00 0.00 32.58 31.07 1ya5 s HIS 41 CO -0.01 -0.03 -0.07 -1.21 -2.00 0.00 0.00 174.74 171.42 1ya5 s GLU 42 N -0.28 1.27 -0.28 -0.38 2.02 -0.70 -4.99 118.70 115.35 1ya5 s GLU 42 Ca -0.02 -0.21 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1ya5 s GLU 42 Cb -0.02 -1.27 0.01 0.00 0.10 0.00 0.00 34.13 32.95 1ya5 s GLU 42 CO -0.00 -0.15 0.05 -1.21 0.02 0.00 0.00 175.26 173.96 1ya5 s GLU 43 N 1.29 3.11 -0.79 1.61 8.01 -1.26 -1.48 118.70 129.19 1ya5 s GLU 43 Ca -0.04 -0.83 -0.17 0.00 0.01 0.00 0.00 54.97 53.94 1ya5 s GLU 43 Cb -0.14 -3.28 0.15 0.00 -4.31 0.00 0.00 34.13 26.55 1ya5 s GLU 43 CO -0.03 -0.40 0.88 0.34 0.01 0.00 0.00 175.26 176.06 1ya5 s ASP 44 N 1.48 6.52 0.00 -0.19 -1.08 0.97 -4.88 116.67 119.48 1ya5 s ASP 44 Ca 0.03 -2.03 0.29 0.00 -0.52 0.00 0.00 52.55 50.31 1ya5 s ASP 44 Cb -0.17 -2.31 1.34 0.00 -1.46 0.00 0.00 42.92 40.32 1ya5 s ASP 44 CO 0.01 -0.93 1.97 0.35 0.52 0.00 0.00 175.17 177.08 1ya5 n THR 45 N 5.04 0.03 0.11 1.71 -2.24 -1.26 -0.33 114.28 117.34 1ya5 n THR 45 Ca 0.10 0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.65 1ya5 n THR 45 Cb 0.46 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.02 1ya5 n THR 45 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1ya5 h GLN 46 N 0.00 0.47 -0.01 -0.78 4.15 -1.95 -3.37 115.11 113.61 1ya5 h GLN 46 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 58.65 58.62 1ya5 h GLN 46 Cb 0.40 0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1ya5 h GLN 46 CO 0.00 1.38 -0.65 0.54 -1.93 0.00 0.00 178.83 178.18 1ya5 n ARG 47 N -3.73 0.90 -3.31 1.69 1.74 -1.12 -4.99 116.66 107.84 1ya5 n ARG 47 Ca -0.19 -0.62 -0.16 0.00 -0.77 0.00 0.00 57.85 56.11 1ya5 n ARG 47 Cb 1.06 -1.46 0.08 0.00 -1.02 0.00 0.00 32.46 31.13 1ya5 n ARG 47 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ya5 n HIS 48 N -0.57 -2.05 -4.89 -1.55 8.25 0.55 -5.03 115.22 109.93 1ya5 n HIS 48 Ca 0.07 0.87 -0.27 0.00 -0.26 0.00 0.00 57.72 58.13 1ya5 n HIS 48 Cb 0.40 -4.82 -0.16 0.00 1.12 0.00 0.00 29.99 26.53 1ya5 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ya5 s GLU 49 N -5.20 2.01 0.07 -0.41 2.02 -0.81 -5.01 118.70 111.36 1ya5 s GLU 49 Ca 0.03 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.44 1ya5 s GLU 49 Cb -0.00 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 1ya5 s GLU 49 CO 0.68 0.22 -0.20 0.95 0.02 0.00 0.00 175.26 176.93 1ya5 s THR 50 N 0.15 1.59 0.01 3.63 -4.23 -1.26 -0.02 115.64 115.50 1ya5 s THR 50 Ca -0.07 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1ya5 s THR 50 Cb -0.13 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 1ya5 s THR 50 CO 0.03 0.05 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.60 1ya5 s TYR 51 N -0.98 0.78 0.00 3.99 5.04 -0.55 -5.00 117.35 120.64 1ya5 s TYR 51 Ca 0.06 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1ya5 s TYR 51 Cb -0.09 -0.49 -0.00 0.00 0.35 0.00 0.00 41.96 41.72 1ya5 s TYR 51 CO 0.03 -0.01 -0.01 -1.58 -1.34 0.00 0.00 175.55 172.64 1ya5 s HIS 52 N -0.42 0.06 0.01 4.97 5.65 -1.26 -1.73 115.29 122.56 1ya5 s HIS 52 Ca 0.01 -0.04 -0.04 0.00 0.25 0.00 0.00 55.06 55.24 1ya5 s HIS 52 Cb -0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 32.58 31.31 1ya5 s HIS 52 CO -0.00 -0.01 0.07 1.14 -0.65 0.00 0.00 174.74 175.29 1ya5 s GLN 53 N -0.09 0.40 -0.00 2.88 -2.07 -0.23 -5.00 119.66 115.55 1ya5 s GLN 53 Ca -0.01 -0.45 -0.02 0.00 -1.82 0.00 0.00 55.36 53.06 1ya5 s GLN 53 Cb -0.01 0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1ya5 s GLN 53 CO -0.00 -0.08 0.03 1.14 -1.32 0.00 0.00 175.29 175.06 1ya5 s GLN 54 N -1.33 0.23 -0.18 9.60 -2.07 -1.26 -1.27 119.66 123.38 1ya5 s GLN 54 Ca -0.14 -0.27 -0.14 0.00 -1.82 0.00 0.00 55.36 52.98 1ya5 s GLN 54 Cb -0.08 0.09 0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1ya5 s GLN 54 CO 0.01 -0.04 0.46 0.20 -1.32 0.00 0.00 175.29 174.59 1ya5 s GLY 55 N -0.78 -0.35 0.67 2.60 0.00 -1.00 -4.96 107.32 103.49 1ya5 s GLY 55 Ca -0.09 1.39 -0.17 0.00 0.00 0.00 0.00 44.72 45.85 1ya5 s GLY 55 CO -0.00 1.29 1.25 1.20 0.00 0.00 0.00 173.10 176.83 1ya5 s GLN 56 N 0.55 2.49 0.03 2.90 -0.21 -1.26 -4.18 119.66 119.97 1ya5 s GLN 56 Ca -0.02 1.92 0.03 0.00 0.02 0.00 0.00 55.36 57.30 1ya5 s GLN 56 Cb -0.04 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1ya5 s GLN 56 CO -0.03 -1.61 -0.08 -1.54 -2.12 0.00 0.00 175.29 169.91 1ya5 s SER 57 N -1.65 0.97 -0.23 5.90 1.04 -1.20 -4.99 113.70 113.53 1ya5 s SER 57 Ca 0.79 -0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.75 1ya5 s SER 57 Cb -0.33 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1ya5 s SER 57 CO 0.40 -0.07 0.07 -1.10 0.98 0.00 0.00 173.24 173.53 1ya5 s GLN 58 N -1.03 3.74 -0.01 4.02 -0.21 -1.26 -0.74 119.66 124.17 1ya5 s GLN 58 Ca -0.04 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 54.88 1ya5 s GLN 58 Cb -0.07 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 1ya5 s GLN 58 CO 0.00 -0.08 0.14 0.54 -2.12 0.00 0.00 175.29 173.77 1ya5 s VAL 59 N 1.33 5.13 -0.14 1.09 0.11 0.10 0.08 120.40 128.10 1ya5 s VAL 59 Ca 0.05 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1ya5 s VAL 59 Cb -0.15 -3.36 0.01 0.00 -1.53 0.00 0.00 36.38 31.35 1ya5 s VAL 59 CO 0.04 0.36 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.74 1ya5 s LEU 60 N -1.79 2.19 -0.12 2.54 0.20 0.58 -1.45 118.68 120.82 1ya5 s LEU 60 Ca 0.24 -0.58 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1ya5 s LEU 60 Cb -0.12 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.18 1ya5 s LEU 60 CO 0.16 0.08 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.43 1ya5 s VAL 61 N 0.83 1.67 -0.03 1.68 1.01 -0.28 -1.29 120.40 124.00 1ya5 s VAL 61 Ca -0.06 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1ya5 s VAL 61 Cb -0.15 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1ya5 s VAL 61 CO -0.02 0.48 -0.17 -1.58 0.00 0.00 0.00 175.10 173.80 1ya5 s GLN 62 N 1.02 1.68 0.29 2.72 0.74 0.23 0.12 119.66 126.46 1ya5 s GLN 62 Ca -0.05 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.76 1ya5 s GLN 62 Cb -0.15 -1.51 -0.05 0.00 1.10 0.00 0.00 33.01 32.40 1ya5 s GLN 62 CO -0.03 0.29 0.09 -0.98 -0.55 0.00 0.00 175.29 174.11 1ya5 s ARG 63 N -0.12 1.53 0.22 1.67 1.70 0.36 -0.51 118.95 123.80 1ya5 s ARG 63 Ca -0.00 -1.85 -0.12 0.00 -0.47 0.00 0.00 55.73 53.29 1ya5 s ARG 63 Cb -0.10 -0.51 -0.00 0.00 -0.57 0.00 0.00 34.95 33.77 1ya5 s ARG 63 CO 0.01 -0.27 0.42 -1.54 -1.08 0.00 0.00 175.30 172.85 1ya5 s SER 64 N -3.40 -0.08 0.19 -2.89 1.04 -1.15 -4.72 113.70 102.71 1ya5 s SER 64 Ca 0.37 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 1ya5 s SER 64 Cb 0.08 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.86 1ya5 s SER 64 CO 0.15 -1.05 1.52 -0.65 0.98 0.00 0.00 173.24 174.18 1ya5 h PRO 65 N 2.33 0.57 -1.00 4.02 0.11 -1.98 -3.16 132.00 132.90 1ya5 h PRO 65 Ca -0.28 -0.34 -0.07 0.00 0.11 0.00 0.00 66.00 65.41 1ya5 h PRO 65 Cb 1.25 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1ya5 h PRO 65 CO 0.40 0.95 0.09 -2.67 -0.21 0.00 0.00 178.00 176.56 1ya5 n TRP 66 N -3.97 0.44 -2.79 0.65 2.14 -1.26 -4.85 117.44 107.79 1ya5 n TRP 66 Ca -0.03 -0.65 -0.19 0.00 2.07 0.00 0.00 57.50 58.69 1ya5 n TRP 66 Cb 0.59 -0.34 0.02 0.00 -0.81 0.00 0.00 31.31 30.77 1ya5 n TRP 66 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1ya5 n LEU 67 N 0.25 -2.40 -4.33 5.67 4.77 -1.19 -4.89 117.00 114.87 1ya5 n LEU 67 Ca 0.08 -0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.52 1ya5 n LEU 67 Cb 0.65 -2.68 -0.14 0.00 -2.33 0.00 0.00 43.42 38.92 1ya5 n LEU 67 CO 0.09 0.11 -0.40 -0.32 -1.33 0.00 0.00 177.39 175.54 1ya5 s MET 68 N -5.41 3.39 0.18 3.23 1.75 -1.26 0.77 119.30 121.94 1ya5 s MET 68 Ca 0.21 -0.64 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 1ya5 s MET 68 Cb -0.09 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.66 1ya5 s MET 68 CO 0.25 -0.06 0.16 -1.64 -0.65 0.00 0.00 175.02 173.08 1ya5 s MET 69 N 1.09 2.95 -0.07 4.11 -1.94 -0.37 -2.92 119.30 122.15 1ya5 s MET 69 Ca 0.01 -0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1ya5 s MET 69 Cb -0.15 -2.66 0.04 0.00 2.01 0.00 0.00 34.83 34.08 1ya5 s MET 69 CO -0.01 0.47 0.15 0.50 -0.01 0.00 0.00 175.02 176.13 1ya5 s ARG 70 N -3.22 0.09 0.16 2.03 6.06 0.34 -0.70 118.95 123.71 1ya5 s ARG 70 Ca 0.31 0.40 -0.18 0.00 -2.50 0.00 0.00 55.73 53.76 1ya5 s ARG 70 Cb -0.10 -0.18 0.04 0.00 0.06 0.00 0.00 34.95 34.77 1ya5 s ARG 70 CO 0.24 -0.18 0.49 0.00 -2.50 0.00 0.00 175.30 173.35 1ya5 s MET 71 N 1.27 1.22 0.00 5.12 0.23 -0.07 0.75 119.30 127.82 1ya5 s MET 71 Ca -0.08 -0.69 0.00 0.00 -1.03 0.00 0.00 55.69 53.88 1ya5 s MET 71 Cb -0.12 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1ya5 s MET 71 CO -0.06 -0.51 0.00 0.41 -2.03 0.00 0.00 175.02 172.83 1ya5 n GLY 72 N -0.30 -0.95 3.55 3.16 0.00 -0.41 0.13 105.19 110.37 1ya5 n GLY 72 Ca -0.14 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1ya5 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya5 s ILE 73 N -3.00 4.80 -0.00 -0.61 -1.09 -1.13 -0.31 121.20 119.86 1ya5 s ILE 73 Ca 0.00 -0.01 -0.32 0.00 -2.23 0.00 0.00 60.65 58.09 1ya5 s ILE 73 Cb 0.00 -3.24 -0.10 0.00 -1.58 0.00 0.00 42.46 37.54 1ya5 s ILE 73 CO 0.00 0.34 1.92 -0.11 -1.23 0.00 0.00 174.94 175.87 1ya5 n LEU 74 N 4.56 3.86 0.00 2.97 7.94 0.11 -0.46 117.00 135.98 1ya5 n LEU 74 Ca -0.16 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 55.68 1ya5 n LEU 74 Cb 0.52 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1ya5 n LEU 74 CO 0.33 0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.31 1ya5 n GLY 75 N 4.45 2.28 0.00 -3.96 0.00 -1.26 -4.69 105.19 102.01 1ya5 n GLY 75 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ya5 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ya5 n ARG 76 N -1.39 0.54 -3.22 1.61 1.74 0.39 -5.14 116.66 111.20 1ya5 n ARG 76 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1ya5 n ARG 76 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1ya5 n ARG 76 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ya5 s GLY 77 N 0.00 1.37 0.09 -0.13 0.00 -1.25 -4.88 107.32 102.53 1ya5 s GLY 77 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.93 1ya5 s GLY 77 CO 0.00 -0.75 0.02 1.08 0.00 0.00 0.00 173.10 173.45 1ya5 s LEU 78 N -4.41 3.55 0.00 0.66 1.43 -1.26 -2.82 118.68 115.83 1ya5 s LEU 78 Ca 0.42 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1ya5 s LEU 78 Cb -0.10 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1ya5 s LEU 78 CO 0.38 0.17 -0.21 -1.58 0.23 0.00 0.00 176.35 175.34 1ya5 s GLN 79 N -2.36 1.57 -0.10 1.70 0.74 0.35 -4.95 119.66 116.62 1ya5 s GLN 79 Ca 0.27 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.89 1ya5 s GLN 79 Cb -0.12 -1.57 -0.02 0.00 1.10 0.00 0.00 33.01 32.40 1ya5 s GLN 79 CO 0.19 0.42 -0.13 -2.00 -0.55 0.00 0.00 175.29 173.23 1ya5 s GLU 80 N -0.69 3.07 0.04 1.67 2.12 -1.26 -0.89 118.70 122.76 1ya5 s GLU 80 Ca 0.08 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 54.82 1ya5 s GLU 80 Cb -0.08 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 1ya5 s GLU 80 CO 0.00 0.37 -0.23 0.71 -0.54 0.00 0.00 175.26 175.57 1ya5 s TYR 81 N -0.07 2.06 -0.32 5.30 1.51 0.13 -4.98 117.35 120.97 1ya5 s TYR 81 Ca -0.02 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 1ya5 s TYR 81 Cb -0.14 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1ya5 s TYR 81 CO 0.04 0.11 0.21 -1.14 -1.11 0.00 0.00 175.55 173.65 1ya5 s GLN 82 N -1.21 3.55 0.25 -0.62 2.00 -1.26 -1.24 119.66 121.13 1ya5 s GLN 82 Ca 0.10 -0.60 -0.08 0.00 -2.00 0.00 0.00 55.36 52.77 1ya5 s GLN 82 Cb -0.09 -3.72 -0.07 0.00 0.80 0.00 0.00 33.01 29.93 1ya5 s GLN 82 CO 0.02 -0.38 0.56 -0.51 -0.50 0.00 0.00 175.29 174.48 1ya5 s LEU 83 N 1.70 4.12 0.38 3.68 1.43 0.23 -3.57 118.68 126.66 1ya5 s LEU 83 Ca 0.06 0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 53.77 1ya5 s LEU 83 Cb -0.17 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 1ya5 s LEU 83 CO 0.09 -0.12 1.27 -2.16 0.23 0.00 0.00 176.35 175.66 1ya5 s PRO 84 N -3.06 4.11 0.24 1.29 0.04 -1.26 -4.86 135.00 131.49 1ya5 s PRO 84 Ca 0.47 2.09 -0.31 0.00 0.04 0.00 0.00 61.00 63.29 1ya5 s PRO 84 Cb -0.11 -2.84 -0.13 0.00 0.04 0.00 0.00 34.50 31.47 1ya5 s PRO 84 CO 0.24 -0.36 1.55 0.98 0.04 0.00 0.00 177.00 179.46 1ya5 n TYR 85 N 0.32 2.52 -3.86 0.56 9.36 -1.23 -4.93 117.16 119.90 1ya5 n TYR 85 Ca 0.03 0.28 -0.30 0.00 3.32 0.00 0.00 57.90 61.23 1ya5 n TYR 85 Cb 0.44 -2.56 -0.14 0.00 -0.63 0.00 0.00 39.34 36.45 1ya5 n TYR 85 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1ya5 s GLN 86 N 0.03 1.66 1.06 2.98 1.11 -1.26 -5.10 119.66 120.14 1ya5 s GLN 86 Ca 0.70 -2.30 -0.12 0.00 0.01 0.00 0.00 55.36 53.64 1ya5 s GLN 86 Cb -0.58 -2.92 0.22 0.00 -1.01 0.00 0.00 33.01 28.72 1ya5 s GLN 86 CO 0.44 -1.11 1.02 0.54 0.01 0.00 0.00 175.29 176.20 1ya5 n ARG 87 N 3.40 -1.53 -4.86 2.91 5.12 -1.26 -5.04 116.66 115.40 1ya5 n ARG 87 Ca 0.06 -0.40 -0.28 0.00 -1.93 0.00 0.00 57.85 55.30 1ya5 n ARG 87 Cb 0.34 -2.24 -0.17 0.00 -1.16 0.00 0.00 32.46 29.24 1ya5 n ARG 87 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1ya5 s VAL 88 N -2.50 1.52 0.00 1.55 -7.23 -1.26 -5.31 120.40 107.16 1ya5 s VAL 88 Ca 0.67 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1ya5 s VAL 88 Cb -0.24 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1ya5 s VAL 88 CO 0.62 0.44 0.00 0.00 -0.31 0.00 0.00 175.10 175.85