#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5h s THR 3 N 0.00 1.62 0.24 12.58 -4.23 -1.26 -4.12 115.64 120.47 1y5h s THR 3 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1y5h s THR 3 Cb 0.00 -2.63 0.17 0.00 1.34 0.00 0.00 72.50 71.38 1y5h s THR 3 CO 0.00 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.89 1y5h h ALA 4 N 1.58 1.11 0.00 3.99 0.00 -0.80 -2.22 119.26 122.93 1y5h h ALA 4 Ca -0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1y5h h ALA 4 Cb 1.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1y5h h ALA 4 CO 0.78 0.64 -0.04 -0.09 0.00 0.00 0.00 179.25 180.54 1y5h h ARG 5 N 1.09 0.00 0.00 0.00 2.43 -1.47 -2.50 114.38 113.94 1y5h h ARG 5 Ca 0.25 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1y5h h ARG 5 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1y5h h ARG 5 CO -0.02 0.04 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.60 1y5h h ASP 6 N 0.00 0.00 -2.09 -3.80 3.45 -1.67 -3.48 116.42 108.82 1y5h h ASP 6 Ca -0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 1y5h h ASP 6 Cb 0.07 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.42 1y5h h ASP 6 CO 0.00 0.44 -0.70 2.30 -1.57 0.00 0.00 179.24 179.71 1y5h n ILE 7 N -3.64 2.70 -3.83 0.35 -5.35 -0.94 -5.00 119.36 103.64 1y5h n ILE 7 Ca -0.01 -5.35 -0.30 0.00 -0.27 0.00 0.00 62.75 56.82 1y5h n ILE 7 Cb 0.53 -1.26 -0.15 0.00 -1.74 0.00 0.00 39.64 37.01 1y5h n ILE 7 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1y5h s ASN 9 N -3.42 4.29 0.50 7.28 0.01 0.43 -4.84 114.94 119.19 1y5h s ASN 9 Ca 0.48 -1.82 -0.18 0.00 -0.71 0.00 0.00 52.86 50.63 1y5h s ASN 9 Cb 0.31 -1.13 -0.08 0.00 0.41 0.00 0.00 41.25 40.76 1y5h s ASN 9 CO -0.14 -0.40 0.99 0.00 -1.51 0.00 0.00 177.10 176.03 1y5h s ALA 10 N 1.36 3.03 -0.02 0.60 0.00 -1.26 -1.83 121.76 123.64 1y5h s ALA 10 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1y5h s ALA 10 Cb -0.18 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1y5h s ALA 10 CO -0.19 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1y5h n GLY 11 N -1.26 0.47 3.77 0.00 0.00 -0.80 -4.95 105.19 102.43 1y5h n GLY 11 Ca 0.07 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1y5h n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y5h s VAL 12 N -1.99 3.14 0.01 1.61 1.01 -1.26 -4.99 120.40 117.94 1y5h s VAL 12 Ca 0.00 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.66 1y5h s VAL 12 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1y5h s VAL 12 CO 0.00 0.05 0.72 -0.89 0.00 0.00 0.00 175.10 174.98 1y5h s THR 13 N -1.47 4.82 -0.10 3.92 2.01 -1.26 -4.80 115.64 118.77 1y5h s THR 13 Ca 0.59 1.51 -0.25 0.00 0.31 0.00 0.00 61.69 63.86 1y5h s THR 13 Cb -0.30 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1y5h s THR 13 CO 0.37 0.36 0.78 0.00 -0.69 0.00 0.00 174.62 175.44 1y5h s VAL 15 N 1.32 3.93 0.35 0.00 1.01 -0.23 -4.72 120.40 122.06 1y5h s VAL 15 Ca 0.40 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.82 1y5h s VAL 15 Cb -0.18 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1y5h s VAL 15 CO 0.17 0.32 1.34 -0.83 0.00 0.00 0.00 175.10 176.11 1y5h s GLY 16 N -0.34 2.99 0.63 4.51 0.00 -1.26 -0.80 107.32 113.04 1y5h s GLY 16 Ca 0.47 1.33 0.37 0.00 0.00 0.00 0.00 44.72 46.89 1y5h s GLY 16 CO 0.35 1.98 2.27 1.05 0.00 0.00 0.00 173.10 178.75 1y5h h GLU 17 N 3.25 0.00 -0.08 2.90 4.11 -1.33 -1.49 114.58 121.94 1y5h h GLU 17 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1y5h h GLU 17 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1y5h h GLU 17 CO 0.65 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.45 1y5h n HIS 18 N -3.42 0.08 -2.30 2.06 8.25 -1.26 -0.95 115.22 117.68 1y5h n HIS 18 Ca -0.02 -0.04 -0.37 0.00 -0.26 0.00 0.00 57.72 57.03 1y5h n HIS 18 Cb 0.13 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1y5h n HIS 18 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1y5h s GLU 19 N -1.92 3.82 0.82 -0.41 0.41 -0.56 -4.82 118.70 116.03 1y5h s GLU 19 Ca 0.34 1.73 -0.12 0.00 -0.41 0.00 0.00 54.97 56.51 1y5h s GLU 19 Cb 0.20 -2.42 0.08 0.00 -1.78 0.00 0.00 34.13 30.21 1y5h s GLU 19 CO 0.31 -0.49 1.11 0.95 -0.49 0.00 0.00 175.26 176.65 1y5h s THR 20 N -1.57 2.79 0.33 3.63 -4.23 -1.26 -0.83 115.64 114.50 1y5h s THR 20 Ca 0.63 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.47 1y5h s THR 20 Cb -0.27 -3.04 0.09 0.00 1.34 0.00 0.00 72.50 70.61 1y5h s THR 20 CO 0.33 -0.33 1.79 -0.07 -0.54 0.00 0.00 174.62 175.80 1y5h h LEU 21 N -1.14 0.24 -0.61 4.79 3.38 -0.57 -0.94 115.31 120.47 1y5h h LEU 21 Ca -0.48 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 1y5h h LEU 21 Cb 1.29 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1y5h h LEU 21 CO 0.61 0.53 0.10 0.74 0.09 0.00 0.00 178.44 180.51 1y5h h THR 22 N 0.22 1.26 -0.50 0.22 2.02 -1.67 -0.24 112.91 114.22 1y5h h THR 22 Ca 0.03 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1y5h h THR 22 Cb 0.62 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1y5h h THR 22 CO 0.04 0.37 0.17 0.00 0.37 0.00 0.00 175.52 176.47 1y5h h ALA 23 N 1.02 0.65 -0.95 6.16 0.00 -1.70 -2.12 119.26 122.33 1y5h h ALA 23 Ca 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y5h h ALA 23 Cb 0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1y5h h ALA 23 CO 0.01 0.30 0.62 0.00 0.00 0.00 0.00 179.25 180.18 1y5h h ALA 24 N 1.02 1.23 -0.89 0.00 0.00 -0.84 -1.78 119.26 118.00 1y5h h ALA 24 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1y5h h ALA 24 Cb 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1y5h h ALA 24 CO -0.01 0.54 0.48 0.00 0.00 0.00 0.00 179.25 180.27 1y5h h ALA 25 N 1.37 1.18 -0.84 0.00 0.00 -0.69 -2.50 119.26 117.78 1y5h h ALA 25 Ca 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y5h h ALA 25 Cb -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.33 1y5h h ALA 25 CO -0.10 0.66 0.40 1.96 0.00 0.00 0.00 179.25 182.16 1y5h h GLN 26 N 1.25 1.22 -1.70 0.00 4.20 -0.68 -1.57 115.11 117.82 1y5h h GLN 26 Ca 0.31 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1y5h h GLN 26 Cb 0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1y5h h GLN 26 CO -0.05 0.94 0.00 0.66 -0.67 0.00 0.00 178.83 179.71 1y5h n TYR 27 N -4.30 0.00 0.00 2.96 4.01 -0.86 -1.29 117.16 117.68 1y5h n TYR 27 Ca 0.08 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1y5h n TYR 27 Cb 0.15 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1y5h n TYR 27 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1y5h n ARG 29 N 0.88 0.00 -0.21 -0.72 0.63 -0.59 -1.94 116.66 114.71 1y5h n ARG 29 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 1y5h n ARG 29 Cb 0.16 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.19 1y5h n ARG 29 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1y5h h GLU 30 N 0.00 0.35 -0.31 -0.14 5.08 -1.46 -2.35 114.58 115.76 1y5h h GLU 30 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1y5h h GLU 30 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1y5h h GLU 30 CO 0.00 0.23 0.00 0.72 -1.00 0.00 0.00 179.01 178.96 1y5h n HIS 31 N -5.04 0.39 -3.87 4.33 8.25 -0.82 -4.97 115.22 113.48 1y5h n HIS 31 Ca 0.10 -0.19 -0.25 0.00 -0.26 0.00 0.00 57.72 57.12 1y5h n HIS 31 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1y5h n HIS 31 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1y5h n ASP 32 N 1.46 -1.23 -4.37 0.41 5.68 -0.89 -4.98 116.55 112.63 1y5h n ASP 32 Ca 0.18 -0.91 -0.20 0.00 -0.50 0.00 0.00 54.79 53.36 1y5h n ASP 32 Cb 0.61 -3.50 -0.10 0.00 -1.14 0.00 0.00 41.12 36.99 1y5h n ASP 32 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1y5h s ILE 33 N -3.75 1.91 -1.18 2.12 -4.36 -1.26 -5.04 121.20 109.64 1y5h s ILE 33 Ca 0.11 -2.25 0.13 0.00 -0.26 0.00 0.00 60.65 58.38 1y5h s ILE 33 Cb -0.06 -2.10 0.31 0.00 1.25 0.00 0.00 42.46 41.87 1y5h s ILE 33 CO 0.86 -0.54 1.23 0.61 0.24 0.00 0.00 174.94 177.33 1y5h n GLY 34 N -0.41 2.19 3.30 6.27 0.00 -1.26 -4.65 105.19 110.63 1y5h n GLY 34 Ca -0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1y5h n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5h s ALA 35 N -1.02 -1.00 -0.02 4.61 0.00 -1.26 -0.58 121.76 122.49 1y5h s ALA 35 Ca 0.25 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1y5h s ALA 35 Cb 0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1y5h s ALA 35 CO 0.18 -0.21 -0.13 -0.51 0.00 0.00 0.00 175.76 175.09 1y5h s LEU 36 N -0.04 1.95 0.13 0.00 1.43 0.56 -4.95 118.68 117.76 1y5h s LEU 36 Ca -0.02 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1y5h s LEU 36 Cb -0.03 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.41 1y5h s LEU 36 CO 0.01 0.14 0.97 -2.16 0.23 0.00 0.00 176.35 175.54 1y5h s PRO 37 N -0.14 4.71 -0.12 1.29 0.04 -1.26 -0.99 135.00 138.53 1y5h s PRO 37 Ca 0.02 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 1y5h s PRO 37 Cb -0.07 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1y5h s PRO 37 CO 0.00 0.25 -0.10 0.42 0.04 0.00 0.00 177.00 177.61 1y5h s ILE 38 N -0.18 3.31 0.14 0.56 -1.09 0.61 -1.07 121.20 123.48 1y5h s ILE 38 Ca 0.46 -0.58 0.08 0.00 -2.23 0.00 0.00 60.65 58.39 1y5h s ILE 38 Cb -0.24 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 1y5h s ILE 38 CO 0.30 0.53 -0.19 0.00 -1.23 0.00 0.00 174.94 174.35 1y5h s GLY 40 N -2.34 1.78 0.50 0.00 0.00 -0.55 -0.85 107.32 105.86 1y5h s GLY 40 Ca 0.12 -1.54 0.34 0.00 0.00 0.00 0.00 44.72 43.63 1y5h s GLY 40 CO 0.06 -0.84 2.02 1.29 0.00 0.00 0.00 173.10 175.63 1y5h h ASP 41 N -1.14 0.00 -0.11 1.64 2.03 -2.00 0.10 116.42 116.94 1y5h h ASP 41 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1y5h h ASP 41 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1y5h h ASP 41 CO 0.37 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.68 1y5h n ASP 42 N -2.75 1.13 0.00 4.15 5.68 -1.26 -4.89 116.55 118.61 1y5h n ASP 42 Ca -0.01 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1y5h n ASP 42 Cb 0.12 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1y5h n ASP 42 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1y5h n ASP 43 N -0.04 0.00 -4.78 -1.12 9.92 0.36 -4.99 116.55 115.91 1y5h n ASP 43 Ca 0.16 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.04 1y5h n ASP 43 Cb 0.25 -1.07 -0.06 0.00 -0.64 0.00 0.00 41.12 39.60 1y5h n ASP 43 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1y5h s ARG 44 N -0.42 4.60 0.22 -1.24 0.52 -1.26 -4.56 118.95 116.81 1y5h s ARG 44 Ca 0.00 1.33 -0.31 0.00 -0.52 0.00 0.00 55.73 56.24 1y5h s ARG 44 Cb 0.00 -2.84 -0.10 0.00 0.52 0.00 0.00 34.95 32.52 1y5h s ARG 44 CO 0.00 0.30 1.54 -1.17 0.02 0.00 0.00 175.30 175.99 1y5h s LEU 45 N -1.97 4.37 -0.06 2.53 2.96 -1.26 -1.48 118.68 123.76 1y5h s LEU 45 Ca 0.49 2.71 0.11 0.00 -0.22 0.00 0.00 54.13 57.22 1y5h s LEU 45 Cb -0.19 -3.61 -0.17 0.00 0.50 0.00 0.00 46.19 42.72 1y5h s LEU 45 CO 0.24 -0.81 0.16 1.41 -1.32 0.00 0.00 176.35 176.03 1y5h n HIS 46 N 3.08 0.00 0.00 5.38 8.25 0.10 -4.87 115.22 127.16 1y5h n HIS 46 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1y5h n HIS 46 Cb 0.39 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1y5h n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y5h n GLY 47 N 2.05 -0.55 3.58 -1.41 0.00 -1.11 -4.53 105.19 103.22 1y5h n GLY 47 Ca -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1y5h n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y5h s LEU 49 N 0.00 -0.70 0.32 0.99 2.96 -0.16 -0.29 118.68 121.80 1y5h s LEU 49 Ca 0.00 1.05 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 1y5h s LEU 49 Cb 0.00 1.92 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 1y5h s LEU 49 CO 0.00 -0.16 0.31 0.42 -1.32 0.00 0.00 176.35 175.61 1y5h s THR 50 N 1.89 3.80 0.20 3.68 -4.23 -1.26 -0.32 115.64 119.41 1y5h s THR 50 Ca -0.07 -1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1y5h s THR 50 Cb -0.06 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.65 1y5h s THR 50 CO -0.17 -0.20 1.80 -2.24 -0.54 0.00 0.00 174.62 173.27 1y5h h ASP 51 N 1.21 0.95 -0.24 3.99 3.04 -1.20 -2.08 116.42 122.10 1y5h h ASP 51 Ca -0.46 -0.13 -0.05 0.00 -3.24 0.00 0.00 57.03 53.16 1y5h h ASP 51 Cb 1.25 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 39.28 1y5h h ASP 51 CO 0.58 0.81 0.02 -0.09 -2.04 0.00 0.00 179.24 178.52 1y5h h ARG 52 N 1.03 0.52 -0.78 4.15 2.43 -1.95 -2.29 114.38 117.49 1y5h h ARG 52 Ca 0.25 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1y5h h ARG 52 Cb 0.10 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1y5h h ARG 52 CO -0.03 0.54 0.49 -0.44 -1.51 0.00 0.00 179.97 179.01 1y5h h ASP 53 N 0.51 0.79 -0.72 -3.80 3.32 -1.77 0.24 116.42 114.98 1y5h h ASP 53 Ca 0.11 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1y5h h ASP 53 Cb 0.30 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1y5h h ASP 53 CO 0.01 0.53 0.47 0.40 -1.72 0.00 0.00 179.24 178.93 1y5h h ILE 54 N 0.93 1.19 0.01 0.35 2.04 -1.12 0.27 117.51 121.18 1y5h h ILE 54 Ca 0.32 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1y5h h ILE 54 Cb 0.07 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1y5h h ILE 54 CO -0.13 0.18 -0.00 0.58 0.00 0.00 0.00 178.15 178.78 1y5h h VAL 55 N 0.97 1.47 0.07 1.67 2.07 -1.14 -0.59 116.25 120.77 1y5h h VAL 55 Ca 0.26 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 1y5h h VAL 55 Cb -0.10 2.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1y5h h VAL 55 CO -0.06 0.37 -0.43 0.40 0.02 0.00 0.00 177.57 177.87 1y5h h ILE 56 N -0.62 1.64 0.00 4.57 1.08 -0.52 0.13 117.51 123.79 1y5h h ILE 56 Ca -0.00 -2.44 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 1y5h h ILE 56 Cb 0.61 3.28 0.00 0.00 -3.07 0.00 0.00 36.82 37.64 1y5h h ILE 56 CO 0.00 0.66 -0.51 0.29 -0.69 0.00 0.00 178.15 177.90 1y5h n LYS 57 N -4.36 0.20 0.00 2.37 5.02 0.92 -3.66 118.16 118.65 1y5h n LYS 57 Ca -0.12 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1y5h n LYS 57 Cb 0.66 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1y5h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y5h n GLY 58 N 1.38 -0.20 0.16 0.72 0.00 -0.91 -4.46 105.19 101.89 1y5h n GLY 58 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1y5h n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y5h h LEU 59 N 0.00 0.07 -1.10 0.99 3.38 -1.00 -1.75 115.31 115.90 1y5h h LEU 59 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y5h h LEU 59 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y5h h LEU 59 CO 0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1y5h h ALA 60 N 1.27 1.00 -0.64 1.53 0.00 -0.87 -2.49 119.26 119.05 1y5h h ALA 60 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y5h h ALA 60 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y5h h ALA 60 CO -0.21 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1y5h n ALA 61 N -1.88 2.80 -1.15 0.00 0.00 -0.75 -4.94 120.51 114.59 1y5h n ALA 61 Ca 0.01 -1.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.03 1y5h n ALA 61 Cb 0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1y5h n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y5h n GLY 62 N 1.30 0.77 3.90 0.00 0.00 -0.94 -4.99 105.19 105.23 1y5h n GLY 62 Ca 0.24 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1y5h n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y5h s LEU 63 N -1.15 4.08 -0.29 0.99 1.43 -0.74 -5.04 118.68 117.96 1y5h s LEU 63 Ca 0.00 0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 53.63 1y5h s LEU 63 Cb 0.00 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1y5h s LEU 63 CO 0.00 -0.17 0.52 -0.62 0.23 0.00 0.00 176.35 176.30 1y5h s ASP 64 N -3.09 6.39 0.61 2.29 -1.08 -1.26 -4.40 116.67 116.13 1y5h s ASP 64 Ca 0.44 0.33 0.34 0.00 -0.52 0.00 0.00 52.55 53.13 1y5h s ASP 64 Cb -0.11 -2.28 1.97 0.00 -1.46 0.00 0.00 42.92 41.05 1y5h s ASP 64 CO 0.29 -0.36 2.28 1.55 0.52 0.00 0.00 175.17 179.45 1y5h h PRO 65 N 8.18 0.00 -0.00 4.34 0.13 -1.94 0.15 132.00 142.87 1y5h h PRO 65 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1y5h h PRO 65 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1y5h h PRO 65 CO 0.74 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.51 1y5h n ASN 66 N -3.64 0.16 0.00 1.44 3.02 -1.26 -1.70 115.26 113.28 1y5h n ASN 66 Ca -0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1y5h n ASN 66 Cb 0.09 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1y5h n ASN 66 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1y5h n THR 67 N -1.32 0.00 -2.04 3.41 -2.24 -0.43 -4.91 114.28 106.75 1y5h n THR 67 Ca 0.11 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 1y5h n THR 67 Cb 0.30 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 68.00 1y5h n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y5h s ALA 68 N -1.76 3.01 0.23 6.98 0.00 0.41 -4.91 121.76 125.72 1y5h s ALA 68 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1y5h s ALA 68 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1y5h s ALA 68 CO 0.00 -0.94 0.13 0.95 0.00 0.00 0.00 175.76 175.90 1y5h s THR 69 N -1.38 4.20 0.20 0.00 -4.23 -1.26 -1.86 115.64 111.31 1y5h s THR 69 Ca 0.64 -1.44 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1y5h s THR 69 Cb -0.35 -3.23 0.11 0.00 1.34 0.00 0.00 72.50 70.37 1y5h s THR 69 CO 0.43 -0.29 1.83 0.00 -0.54 0.00 0.00 174.62 176.05 1y5h h ALA 70 N 1.85 0.81 -0.78 3.99 0.00 -1.05 -2.52 119.26 121.57 1y5h h ALA 70 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1y5h h ALA 70 Cb 1.23 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1y5h h ALA 70 CO 0.61 0.11 0.49 0.78 0.00 0.00 0.00 179.25 181.25 1y5h h GLY 71 N 0.74 1.11 2.00 0.00 0.00 -1.30 0.69 103.07 106.31 1y5h h GLY 71 Ca 0.26 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1y5h h GLY 71 CO -0.11 0.42 -0.37 1.05 0.00 0.00 0.00 176.54 177.53 1y5h h GLU 72 N 1.06 0.00 0.00 4.80 4.11 -1.67 -2.20 114.58 120.68 1y5h h GLU 72 Ca 0.28 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.60 1y5h h GLU 72 Cb -0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1y5h h GLU 72 CO -0.06 0.37 -1.45 1.28 0.07 0.00 0.00 179.01 179.22 1y5h n LEU 73 N -3.79 0.68 0.03 3.06 4.32 -0.94 -4.20 117.00 116.15 1y5h n LEU 73 Ca -0.01 0.29 0.12 0.00 -0.02 0.00 0.00 56.01 56.39 1y5h n LEU 73 Cb 0.45 0.06 0.24 0.00 -1.62 0.00 0.00 43.42 42.55 1y5h n LEU 73 CO 0.37 0.06 0.43 0.00 -1.22 0.00 0.00 177.39 177.04 1y5h n ALA 74 N -2.35 3.20 -0.29 -1.18 0.00 0.19 -4.39 120.51 115.69 1y5h n ALA 74 Ca -0.08 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.18 1y5h n ALA 74 Cb 0.75 -1.16 0.26 0.00 0.00 0.00 0.00 19.45 19.30 1y5h n ALA 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1y5h h ARG 75 N 0.00 0.23 -0.76 0.00 0.11 -1.57 -1.13 114.38 111.26 1y5h h ARG 75 Ca 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 1y5h h ARG 75 Cb 0.61 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.61 1y5h h ARG 75 CO 0.00 0.15 0.06 -0.40 0.10 0.00 0.00 179.97 179.88 1y5h n ASP 76 N -5.20 4.02 -3.12 0.08 5.68 -1.26 -4.42 116.55 112.33 1y5h n ASP 76 Ca 0.20 -2.67 -0.24 0.00 -0.50 0.00 0.00 54.79 51.58 1y5h n ASP 76 Cb 0.62 -0.64 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 1y5h n ASP 76 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1y5h n SER 77 N 0.28 2.68 -4.47 -1.12 7.64 -0.43 -5.06 113.62 113.14 1y5h n SER 77 Ca 0.21 -3.31 -0.36 0.00 1.01 0.00 0.00 58.87 56.42 1y5h n SER 77 Cb 0.92 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 63.40 1y5h n SER 77 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1y5h s ILE 78 N -3.13 4.24 -0.13 0.44 1.10 -1.26 -4.45 121.20 118.01 1y5h s ILE 78 Ca 0.43 -0.21 -0.30 0.00 -0.51 0.00 0.00 60.65 60.06 1y5h s ILE 78 Cb 0.27 -2.95 0.12 0.00 0.15 0.00 0.00 42.46 40.05 1y5h s ILE 78 CO -0.10 0.39 0.99 -0.72 -2.11 0.00 0.00 174.94 173.39 1y5h s TYR 79 N 1.19 -0.35 0.03 3.50 -0.85 -1.26 -5.08 117.35 114.53 1y5h s TYR 79 Ca 0.04 0.52 -0.28 0.00 -0.52 0.00 0.00 57.07 56.83 1y5h s TYR 79 Cb -0.14 0.47 0.10 0.00 0.38 0.00 0.00 41.96 42.77 1y5h s TYR 79 CO 0.03 -0.38 1.22 1.52 -1.52 0.00 0.00 175.55 176.42 1y5h s TYR 80 N -1.58 0.00 0.07 -3.49 -0.85 -1.26 -4.38 117.35 105.86 1y5h s TYR 80 Ca 0.00 -0.18 0.03 0.00 -0.52 0.00 0.00 57.07 56.40 1y5h s TYR 80 Cb -0.01 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 1y5h s TYR 80 CO -0.01 -0.43 -0.09 0.14 -1.52 0.00 0.00 175.55 173.64 1y5h s VAL 81 N -2.27 0.78 0.66 -3.49 -7.23 -0.80 -4.99 120.40 103.06 1y5h s VAL 81 Ca 0.22 -1.43 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1y5h s VAL 81 Cb 0.01 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 1y5h s VAL 81 CO -0.00 -0.49 1.04 -0.62 -0.31 0.00 0.00 175.10 174.72 1y5h s ASP 82 N -2.11 5.80 0.57 4.85 2.15 -1.26 -0.97 116.67 125.70 1y5h s ASP 82 Ca -0.00 1.52 0.26 0.00 0.43 0.00 0.00 52.55 54.76 1y5h s ASP 82 Cb -0.05 -2.48 1.67 0.00 -0.30 0.00 0.00 42.92 41.75 1y5h s ASP 82 CO -0.00 -1.16 2.22 0.00 -0.17 0.00 0.00 175.17 176.06 1y5h h ALA 83 N -0.50 1.62 -0.54 3.66 0.00 -1.44 -1.33 119.26 120.72 1y5h h ALA 83 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1y5h h ALA 83 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y5h h ALA 83 CO 0.59 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.13 1y5h n ASN 84 N -4.00 3.18 -4.76 0.00 0.23 -1.26 -1.23 115.26 107.42 1y5h n ASN 84 Ca -0.03 -2.09 -0.37 0.00 -0.53 0.00 0.00 54.58 51.56 1y5h n ASN 84 Cb 0.09 -0.41 0.01 0.00 -2.08 0.00 0.00 39.78 37.40 1y5h n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y5h s ALA 85 N -1.39 2.87 0.74 -2.53 0.00 -0.50 -4.71 121.76 116.24 1y5h s ALA 85 Ca 0.38 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 1y5h s ALA 85 Cb 0.21 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.96 1y5h s ALA 85 CO 0.24 -0.96 1.05 -1.54 0.00 0.00 0.00 175.76 174.55 1y5h s SER 86 N -1.25 4.59 0.22 0.00 1.04 -1.26 -0.94 113.70 116.10 1y5h s SER 86 Ca 0.68 0.39 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 1y5h s SER 86 Cb -0.33 -0.95 0.16 0.00 0.10 0.00 0.00 66.02 65.01 1y5h s SER 86 CO 0.39 -1.75 1.79 0.40 0.98 0.00 0.00 173.24 175.05 1y5h h ILE 87 N -0.72 1.26 -0.91 -1.02 2.04 -1.93 -2.46 117.51 113.76 1y5h h ILE 87 Ca -0.44 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1y5h h ILE 87 Cb 1.31 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1y5h h ILE 87 CO 0.57 0.33 0.60 1.56 0.00 0.00 0.00 178.15 181.21 1y5h h GLN 88 N 1.17 1.20 -1.16 2.37 7.50 -1.95 0.19 115.11 124.44 1y5h h GLN 88 Ca 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.35 1y5h h GLN 88 Cb 0.18 -0.27 0.00 0.00 0.05 0.00 0.00 27.48 27.44 1y5h h GLN 88 CO -0.03 0.79 0.00 0.39 -1.50 0.00 0.00 178.83 178.48 1y5h n GLU 89 N -4.45 0.29 0.00 1.46 1.02 -0.93 -0.84 120.64 117.19 1y5h n GLU 89 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1y5h n GLU 89 Cb 0.02 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1y5h n GLU 89 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1y5h n LEU 91 N 0.66 0.00 -0.19 -4.62 4.77 0.05 -1.84 117.00 115.84 1y5h n LEU 91 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1y5h n LEU 91 Cb 0.12 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1y5h n LEU 91 CO 0.00 0.00 1.02 0.78 -1.33 0.00 0.00 177.39 177.86 1y5h h ASN 92 N 0.00 0.70 0.00 -1.43 2.35 -1.24 0.13 115.58 116.10 1y5h h ASN 92 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1y5h h ASN 92 Cb 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1y5h h ASN 92 CO 0.00 0.62 0.00 0.52 -1.65 0.00 0.00 177.43 176.92 1y5h n VAL 93 N -4.58 0.08 0.00 2.81 0.31 -0.76 -1.40 118.33 114.79 1y5h n VAL 93 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1y5h n VAL 93 Cb 0.11 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1y5h n VAL 93 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1y5h n GLU 95 N 0.49 0.00 -0.01 5.55 0.28 0.46 -1.30 120.64 126.10 1y5h n GLU 95 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1y5h n GLU 95 Cb 0.09 0.00 0.29 0.00 1.43 0.00 0.00 31.44 33.25 1y5h n GLU 95 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1y5h h GLU 96 N 0.00 0.55 -0.00 3.44 4.57 -1.45 -2.81 114.58 118.87 1y5h h GLU 96 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1y5h h GLU 96 Cb 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1y5h h GLU 96 CO 0.00 0.57 -0.72 0.72 -1.18 0.00 0.00 179.01 178.40 1y5h n HIS 97 N -4.28 0.00 -3.28 0.92 8.25 -0.42 -5.00 115.22 111.41 1y5h n HIS 97 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1y5h n HIS 97 Cb 0.24 -0.06 0.08 0.00 1.12 0.00 0.00 29.99 31.37 1y5h n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y5h n GLN 98 N -1.07 -4.73 -4.22 -0.41 0.00 -1.06 -5.04 117.38 100.86 1y5h n GLN 98 Ca 0.06 0.81 -0.13 0.00 0.00 0.00 0.00 57.00 57.75 1y5h n GLN 98 Cb 0.37 -5.66 -0.10 0.00 0.00 0.00 0.00 30.24 24.84 1y5h n GLN 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1y5h s VAL 99 N -3.35 0.75 -0.45 -0.39 -7.23 -1.26 -5.04 120.40 103.43 1y5h s VAL 99 Ca 0.16 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1y5h s VAL 99 Cb -0.02 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1y5h s VAL 99 CO 0.69 -0.65 0.38 -2.11 -0.31 0.00 0.00 175.10 173.11 1y5h n ARG 100 N -0.17 3.79 -4.40 4.82 0.00 -1.26 -4.64 116.66 114.79 1y5h n ARG 100 Ca -0.09 -0.20 -0.27 0.00 -0.00 0.00 0.00 57.85 57.29 1y5h n ARG 100 Cb 0.62 -0.88 -0.17 0.00 -0.00 0.00 0.00 32.46 32.03 1y5h n ARG 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1y5h s ARG 101 N -1.41 1.89 -0.06 2.89 0.52 -1.26 -1.06 118.95 120.45 1y5h s ARG 101 Ca 0.04 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 1y5h s ARG 101 Cb 0.05 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.89 1y5h s ARG 101 CO 0.23 -0.07 -0.10 0.08 0.02 0.00 0.00 175.30 175.46 1y5h s VAL 102 N 1.00 1.00 0.48 3.52 1.01 -0.16 -4.98 120.40 122.27 1y5h s VAL 102 Ca -0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 1y5h s VAL 102 Cb -0.15 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1y5h s VAL 102 CO -0.01 0.33 1.13 -2.16 0.00 0.00 0.00 175.10 174.39 1y5h s PRO 103 N 0.74 3.70 -0.14 2.72 0.04 -1.26 -1.23 135.00 139.59 1y5h s PRO 103 Ca -0.13 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1y5h s PRO 103 Cb -0.15 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1y5h s PRO 103 CO 0.03 -0.57 -0.08 0.08 0.04 0.00 0.00 177.00 176.50 1y5h s VAL 104 N -1.67 3.53 0.11 -0.36 1.01 0.51 -1.91 120.40 121.62 1y5h s VAL 104 Ca 0.66 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1y5h s VAL 104 Cb -0.25 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1y5h s VAL 104 CO 0.30 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 175.13 1y5h s ILE 105 N 0.24 3.01 -0.21 2.22 -1.09 -0.14 -0.69 121.20 124.53 1y5h s ILE 105 Ca -0.05 -1.40 -0.09 0.00 -2.23 0.00 0.00 60.65 56.88 1y5h s ILE 105 Cb -0.15 -2.38 0.09 0.00 -1.58 0.00 0.00 42.46 38.44 1y5h s ILE 105 CO 0.04 0.13 0.47 -0.55 -1.23 0.00 0.00 174.94 173.80 1y5h s SER 106 N -2.10 -0.50 -1.44 3.58 0.15 -0.16 -1.05 113.70 112.18 1y5h s SER 106 Ca 0.19 1.11 -0.09 0.00 0.70 0.00 0.00 55.95 57.85 1y5h s SER 106 Cb -0.11 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.61 1y5h s SER 106 CO 0.11 -0.22 0.98 -0.62 1.20 0.00 0.00 173.24 174.68 1y5h n GLU 107 N 5.08 -6.59 -1.38 5.44 4.71 -1.26 -1.65 120.64 124.99 1y5h n GLU 107 Ca -0.13 0.80 -0.13 0.00 -0.01 0.00 0.00 57.16 57.68 1y5h n GLU 107 Cb 0.51 -5.77 -0.06 0.00 -1.01 0.00 0.00 31.44 25.12 1y5h n GLU 107 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1y5h n HIS 108 N -4.79 0.00 -4.52 -0.32 -0.00 -1.26 -5.00 115.22 99.32 1y5h n HIS 108 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 1y5h n HIS 108 Cb 0.57 -2.42 -0.14 0.00 -0.00 0.00 0.00 29.99 28.00 1y5h n HIS 108 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1y5h s ARG 109 N -3.09 1.25 -0.09 -0.41 1.81 -0.66 -4.55 118.95 113.21 1y5h s ARG 109 Ca 0.00 -0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 52.77 1y5h s ARG 109 Cb 0.00 -1.38 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 1y5h s ARG 109 CO 0.00 0.34 1.41 -1.17 -0.68 0.00 0.00 175.30 175.20 1y5h s LEU 110 N -1.30 4.26 -0.00 2.53 2.96 -1.26 -0.99 118.68 124.87 1y5h s LEU 110 Ca 0.06 1.95 0.09 0.00 -0.22 0.00 0.00 54.13 56.01 1y5h s LEU 110 Cb -0.09 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 1y5h s LEU 110 CO 0.02 -0.79 0.36 1.33 -1.32 0.00 0.00 176.35 175.95 1y5h n VAL 111 N 5.22 0.00 -1.48 1.68 0.24 0.13 -4.93 118.33 119.19 1y5h n VAL 111 Ca 0.15 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1y5h n VAL 111 Cb 0.44 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1y5h n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y5h n GLY 112 N 1.30 -1.49 2.96 7.63 0.00 -1.19 -1.90 105.19 112.50 1y5h n GLY 112 Ca 0.01 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 1y5h n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y5h s ILE 113 N -2.45 0.64 -0.04 -0.61 -1.09 -0.76 -0.36 121.20 116.53 1y5h s ILE 113 Ca 0.00 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 1y5h s ILE 113 Cb 0.00 -0.59 -0.02 0.00 -1.58 0.00 0.00 42.46 40.26 1y5h s ILE 113 CO 0.00 0.22 -0.17 0.54 -1.23 0.00 0.00 174.94 174.30 1y5h s VAL 114 N 0.38 2.85 0.28 2.92 0.11 -0.36 -0.43 120.40 126.15 1y5h s VAL 114 Ca -0.05 -0.80 0.11 0.00 -2.93 0.00 0.00 61.98 58.31 1y5h s VAL 114 Cb -0.09 -2.10 -0.05 0.00 -1.53 0.00 0.00 36.38 32.61 1y5h s VAL 114 CO 0.00 0.59 -0.13 0.42 -3.33 0.00 0.00 175.10 172.65 1y5h s THR 115 N -0.70 2.77 0.40 5.04 -4.23 -1.26 -0.98 115.64 116.67 1y5h s THR 115 Ca 0.11 -2.24 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 1y5h s THR 115 Cb -0.10 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.52 1y5h s THR 115 CO 0.00 -0.38 2.03 -0.08 -0.54 0.00 0.00 174.62 175.66 1y5h h GLU 116 N 2.13 0.56 -0.49 3.99 4.81 -1.48 -0.80 114.58 123.30 1y5h h GLU 116 Ca -0.41 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 1y5h h GLU 116 Cb 1.26 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1y5h h GLU 116 CO 0.61 0.37 -0.07 0.00 -0.73 0.00 0.00 179.01 179.19 1y5h h ALA 117 N 1.71 0.96 -0.57 2.92 0.00 -1.95 -0.58 119.26 121.75 1y5h h ALA 117 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1y5h h ALA 117 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1y5h h ALA 117 CO -0.05 0.62 0.36 -0.44 0.00 0.00 0.00 179.25 179.74 1y5h h ASP 118 N 0.79 0.66 0.16 0.00 3.32 -1.51 0.17 116.42 120.01 1y5h h ASP 118 Ca 0.14 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1y5h h ASP 118 Cb 0.57 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1y5h h ASP 118 CO 0.03 0.50 -0.07 0.40 -1.72 0.00 0.00 179.24 178.38 1y5h h ILE 119 N 0.77 0.92 -0.59 0.35 2.04 -1.01 -0.99 117.51 118.99 1y5h h ILE 119 Ca 0.21 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1y5h h ILE 119 Cb -0.06 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1y5h h ILE 119 CO -0.04 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.53 1y5h h ALA 120 N 0.47 0.76 -0.31 1.87 0.00 -0.88 -0.12 119.26 121.06 1y5h h ALA 120 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1y5h h ALA 120 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1y5h h ALA 120 CO 0.04 0.07 0.11 -0.09 0.00 0.00 0.00 179.25 179.38 1y5h h ARG 121 N 0.69 0.46 -0.64 0.00 2.43 -0.60 -2.95 114.38 113.78 1y5h h ARG 121 Ca 0.24 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1y5h h ARG 121 Cb 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1y5h h ARG 121 CO -0.11 0.49 0.00 0.72 -1.51 0.00 0.00 179.97 179.55 1y5h n HIS 122 N -4.72 1.04 1.38 2.20 8.25 -0.39 -5.09 115.22 117.89 1y5h n HIS 122 Ca -0.02 -0.39 0.14 0.00 -0.26 0.00 0.00 57.72 57.18 1y5h n HIS 122 Cb 0.14 -0.23 0.42 0.00 1.12 0.00 0.00 29.99 31.45 1y5h n HIS 122 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87