#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq n GLU 5 N 0.00 -3.72 -3.42 0.00 1.02 -1.26 -5.04 120.64 108.23 1yhq n GLU 5 Ca 0.00 2.67 -0.15 0.00 -0.02 0.00 0.00 57.16 59.66 1yhq n GLU 5 Cb 0.00 -3.09 -0.10 0.00 -0.02 0.00 0.00 31.44 28.22 1yhq n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1yhq s PHE 6 N -1.48 -0.53 -1.10 -0.32 5.36 -1.26 -5.07 117.98 113.59 1yhq s PHE 6 Ca 0.00 0.34 -0.24 0.00 -0.96 0.00 0.00 56.93 56.07 1yhq s PHE 6 Cb 0.00 -0.25 -0.13 0.00 -0.34 0.00 0.00 43.02 42.30 1yhq s PHE 6 CO 0.00 -0.73 1.96 -3.47 -1.46 0.00 0.00 175.22 171.52 1yhq n ASP 7 N 5.33 2.62 -4.68 6.13 -0.08 -1.26 -4.91 116.55 119.70 1yhq n ASP 7 Ca -0.04 -2.65 -0.41 0.00 -1.51 0.00 0.00 54.79 50.18 1yhq n ASP 7 Cb 0.49 -1.65 -0.04 0.00 2.34 0.00 0.00 41.12 42.26 1yhq n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yhq s ALA 8 N 11.69 3.44 -0.05 -1.67 0.00 -1.26 -4.84 121.76 129.07 1yhq s ALA 8 Ca 0.70 0.14 0.30 0.00 0.00 0.00 0.00 51.96 53.10 1yhq s ALA 8 Cb 0.00 -3.21 1.04 0.00 0.00 0.00 0.00 23.12 20.95 1yhq s ALA 8 CO 0.15 -0.51 1.86 -0.44 0.00 0.00 0.00 175.76 176.83 1yhq h ASP 9 N 7.15 0.00 -3.69 0.00 3.32 -1.24 -3.43 116.42 118.52 1yhq h ASP 9 Ca -0.33 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.52 1yhq h ASP 9 Cb 1.15 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 1yhq h ASP 9 CO 0.82 0.02 -0.55 -0.69 -1.72 0.00 0.00 179.24 177.12 1yhq s VAL 10 N -3.53 -0.01 -0.22 -1.35 1.01 -1.00 -4.99 120.40 110.31 1yhq s VAL 10 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1yhq s VAL 10 Cb 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.27 1yhq s VAL 10 CO 0.59 0.02 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 1yhq s ILE 11 N 0.36 1.93 -0.14 2.22 1.01 -1.26 -1.48 121.20 123.84 1yhq s ILE 11 Ca -0.02 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.32 1yhq s ILE 11 Cb -0.04 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1yhq s ILE 11 CO -0.01 0.17 0.11 -0.69 0.00 0.00 0.00 174.94 174.52 1yhq s VAL 12 N 1.26 5.28 -0.39 2.92 1.01 0.17 -0.38 120.40 130.27 1yhq s VAL 12 Ca -0.03 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1yhq s VAL 12 Cb -0.17 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1yhq s VAL 12 CO -0.08 0.57 0.32 -0.62 0.00 0.00 0.00 175.10 175.28 1yhq s ASP 13 N -0.59 6.12 0.05 3.32 -1.08 -0.34 0.33 116.67 124.49 1yhq s ASP 13 Ca 0.12 -0.72 0.27 0.00 -0.52 0.00 0.00 52.55 51.70 1yhq s ASP 13 Cb -0.12 -2.17 0.95 0.00 -1.46 0.00 0.00 42.92 40.12 1yhq s ASP 13 CO 0.02 -0.42 1.76 0.00 0.52 0.00 0.00 175.17 177.04 1yhq n ALA 14 N 5.24 2.58 -1.67 3.66 0.00 -0.43 -4.70 120.51 125.20 1yhq n ALA 14 Ca -0.11 -0.14 -0.57 0.00 0.00 0.00 0.00 53.44 52.62 1yhq n ALA 14 Cb 0.48 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1yhq n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1yhq n ARG 15 N -1.71 0.92 -1.80 0.00 0.63 -1.26 0.10 116.66 113.54 1yhq n ARG 15 Ca 0.06 0.34 -0.20 0.00 -0.92 0.00 0.00 57.85 57.12 1yhq n ARG 15 Cb 0.37 -1.97 -0.07 0.00 0.45 0.00 0.00 32.46 31.24 1yhq n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1yhq n ASP 16 N 4.11 -5.54 -4.58 6.15 9.92 -0.56 -4.91 116.55 121.14 1yhq n ASP 16 Ca 0.24 0.36 -0.33 0.00 -0.53 0.00 0.00 54.79 54.54 1yhq n ASP 16 Cb 0.12 -4.76 -0.11 0.00 -0.64 0.00 0.00 41.12 35.73 1yhq n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yhq s ILE 18 N -0.91 3.31 0.20 0.00 1.01 0.64 -0.72 121.20 124.73 1yhq s ILE 18 Ca 0.15 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 1yhq s ILE 18 Cb -0.11 -3.61 0.17 0.00 0.01 0.00 0.00 42.46 38.92 1yhq s ILE 18 CO 0.05 -0.52 1.38 0.80 0.00 0.00 0.00 174.94 176.65 1yhq n MET 19 N 8.86 -0.24 -0.24 2.79 0.00 -0.26 -1.43 117.12 126.60 1yhq n MET 19 Ca 0.25 1.37 -0.01 0.00 -0.00 0.00 0.00 57.70 59.30 1yhq n MET 19 Cb 0.50 -2.03 0.10 0.00 0.00 0.00 0.00 33.22 31.79 1yhq n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1yhq h GLY 20 N 0.00 1.02 1.71 -5.12 0.00 -1.90 0.18 103.07 98.96 1yhq h GLY 20 Ca 0.28 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1yhq h GLY 20 CO -0.88 0.17 -0.36 3.21 0.00 0.00 0.00 176.54 178.68 1yhq h ARG 21 N 0.72 0.32 0.12 4.80 3.08 -1.64 -0.95 114.38 120.84 1yhq h ARG 21 Ca 0.31 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1yhq h ARG 21 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1yhq h ARG 21 CO -0.18 0.65 -0.06 0.28 -1.07 0.00 0.00 179.97 179.59 1yhq h VAL 22 N 0.28 1.07 -0.62 2.04 2.07 -0.93 -3.05 116.25 117.10 1yhq h VAL 22 Ca 0.03 -1.09 0.13 0.00 0.82 0.00 0.00 66.70 66.59 1yhq h VAL 22 Cb 0.77 1.71 -0.11 0.00 -1.52 0.00 0.00 31.29 32.15 1yhq h VAL 22 CO 0.06 0.25 -0.03 0.00 0.02 0.00 0.00 177.57 177.87 1yhq h ALA 23 N 0.04 0.58 -0.88 1.67 0.00 -0.87 0.66 119.26 120.45 1yhq h ALA 23 Ca -0.02 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1yhq h ALA 23 Cb 0.53 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1yhq h ALA 23 CO 0.03 -0.40 0.51 1.03 0.00 0.00 0.00 179.25 180.41 1yhq h SER 24 N 0.09 0.71 0.52 0.00 0.87 -1.20 0.20 113.55 114.74 1yhq h SER 24 Ca 0.32 0.06 -0.23 0.00 -1.23 0.00 0.00 61.79 60.71 1yhq h SER 24 Cb 0.52 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1yhq h SER 24 CO -0.55 0.37 -1.03 1.56 -0.53 0.00 0.00 176.83 176.64 1yhq h GLN 25 N 0.80 0.29 -0.14 2.24 4.20 -0.95 -2.95 115.11 118.61 1yhq h GLN 25 Ca 0.45 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1yhq h GLN 25 Cb 0.49 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1yhq h GLN 25 CO -0.29 1.10 -0.31 0.28 -0.67 0.00 0.00 178.83 178.95 1yhq h VAL 26 N 0.14 1.27 0.02 -0.54 2.07 -0.34 -1.98 116.25 116.88 1yhq h VAL 26 Ca -0.09 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1yhq h VAL 26 Cb 1.70 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1yhq h VAL 26 CO 0.17 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 178.14 1yhq h ALA 27 N 1.44 -0.02 -0.72 1.67 0.00 -0.99 -1.88 119.26 118.76 1yhq h ALA 27 Ca 0.03 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1yhq h ALA 27 Cb 0.67 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1yhq h ALA 27 CO 0.05 -0.32 0.32 1.49 0.00 0.00 0.00 179.25 180.79 1yhq h GLU 28 N -0.40 0.49 -0.36 0.00 4.57 -1.37 -1.51 114.58 116.00 1yhq h GLU 28 Ca -0.00 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1yhq h GLU 28 Cb 0.39 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1yhq h GLU 28 CO 0.00 0.33 -0.41 1.96 -1.18 0.00 0.00 179.01 179.71 1yhq h GLN 29 N 0.51 0.91 -0.34 1.92 4.20 -1.31 -2.69 115.11 118.31 1yhq h GLN 29 Ca 0.38 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1yhq h GLN 29 Cb 0.50 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1yhq h GLN 29 CO -0.34 1.15 0.02 0.00 -0.67 0.00 0.00 178.83 178.99 1yhq h ALA 30 N 0.74 1.42 0.00 3.87 0.00 -0.87 -0.11 119.26 124.32 1yhq h ALA 30 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1yhq h ALA 30 Cb 1.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1yhq h ALA 30 CO 0.10 0.41 -0.03 -0.07 0.00 0.00 0.00 179.25 179.66 1yhq h LEU 31 N 0.49 0.00 -2.25 0.00 3.38 -1.19 -2.45 115.31 113.29 1yhq h LEU 31 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1yhq h LEU 31 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1yhq h LEU 31 CO 0.01 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.03 1yhq n ASP 32 N -3.13 3.36 0.00 -0.43 8.00 -0.20 -4.91 116.55 119.25 1yhq n ASP 32 Ca 0.01 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.30 1yhq n ASP 32 Cb 0.36 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1yhq n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yhq n GLY 33 N 1.07 0.63 3.73 0.44 0.00 -0.92 -5.06 105.19 105.09 1yhq n GLY 33 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1yhq n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yhq s GLU 34 N -0.76 4.73 -0.42 1.61 0.41 -0.33 -4.98 118.70 118.95 1yhq s GLU 34 Ca 0.00 1.45 -0.21 0.00 -0.41 0.00 0.00 54.97 55.80 1yhq s GLU 34 Cb 0.00 -3.35 0.02 0.00 -1.78 0.00 0.00 34.13 29.02 1yhq s GLU 34 CO 0.00 0.28 0.65 0.99 -0.49 0.00 0.00 175.26 176.70 1yhq s THR 35 N -0.27 4.82 0.01 3.63 2.01 -1.26 -4.00 115.64 120.59 1yhq s THR 35 Ca 0.45 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.71 1yhq s THR 35 Cb -0.24 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1yhq s THR 35 CO 0.30 -0.55 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.98 1yhq s VAL 36 N 2.84 4.06 -0.14 3.82 1.01 -0.69 -0.66 120.40 130.64 1yhq s VAL 36 Ca 0.24 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1yhq s VAL 36 Cb -0.14 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1yhq s VAL 36 CO 0.19 0.35 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1yhq s ALA 37 N -1.10 1.33 -0.13 5.51 0.00 -0.55 -2.08 121.76 124.74 1yhq s ALA 37 Ca 0.20 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1yhq s ALA 37 Cb -0.11 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1yhq s ALA 37 CO 0.11 -0.62 0.37 0.08 0.00 0.00 0.00 175.76 175.70 1yhq s VAL 38 N 1.70 5.25 0.17 0.00 1.01 -0.29 -0.65 120.40 127.58 1yhq s VAL 38 Ca 0.03 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1yhq s VAL 38 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1yhq s VAL 38 CO -0.08 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.56 1yhq s VAL 39 N 0.41 2.90 -1.26 2.92 1.01 0.15 -0.47 120.40 126.07 1yhq s VAL 39 Ca 0.20 -1.70 -0.08 0.00 0.00 0.00 0.00 61.98 60.40 1yhq s VAL 39 Cb -0.14 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1yhq s VAL 39 CO 0.07 -0.05 1.10 0.59 0.00 0.00 0.00 175.10 176.81 1yhq n ASN 40 N 0.30 -5.91 -0.34 3.32 3.02 -0.04 -1.31 115.26 114.30 1yhq n ASN 40 Ca -0.12 -0.51 0.08 0.00 -0.03 0.00 0.00 54.58 54.00 1yhq n ASN 40 Cb 0.55 -4.74 0.25 0.00 -0.61 0.00 0.00 39.78 35.23 1yhq n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yhq h ALA 41 N 0.95 1.47 0.00 5.41 0.00 -1.61 0.60 119.26 126.07 1yhq h ALA 41 Ca -0.53 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yhq h ALA 41 Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1yhq h ALA 41 CO 0.52 0.09 0.19 1.05 0.00 0.00 0.00 179.25 181.10 1yhq h GLU 42 N 0.85 0.00 -0.41 0.00 9.09 -1.88 0.53 114.58 122.75 1yhq h GLU 42 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1yhq h GLU 42 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1yhq h GLU 42 CO -0.31 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.29 1yhq n ARG 43 N -2.76 2.44 -1.17 1.06 1.74 0.20 -1.81 116.66 116.35 1yhq n ARG 43 Ca -0.02 -2.15 -0.30 0.00 -0.77 0.00 0.00 57.85 54.61 1yhq n ARG 43 Cb 0.24 -1.40 0.14 0.00 -1.02 0.00 0.00 32.46 30.42 1yhq n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yhq s ALA 44 N -1.12 1.56 0.04 7.54 0.00 0.17 -1.50 121.76 128.45 1yhq s ALA 44 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1yhq s ALA 44 Cb 0.18 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1yhq s ALA 44 CO 0.24 -2.35 -0.02 0.54 0.00 0.00 0.00 175.76 174.17 1yhq s VAL 45 N -2.91 0.17 -0.05 0.00 0.11 0.10 -1.98 120.40 115.85 1yhq s VAL 45 Ca 0.63 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1yhq s VAL 45 Cb -0.18 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1yhq s VAL 45 CO 0.57 -0.79 -0.03 0.27 -3.33 0.00 0.00 175.10 171.79 1yhq s ILE 46 N -2.95 0.44 0.90 7.04 -4.36 -0.54 -1.11 121.20 120.63 1yhq s ILE 46 Ca -0.02 -0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 60.22 1yhq s ILE 46 Cb 0.01 -0.50 0.13 0.00 1.25 0.00 0.00 42.46 43.35 1yhq s ILE 46 CO -0.06 0.22 1.10 -0.89 0.24 0.00 0.00 174.94 175.54 1yhq s THR 47 N 1.13 2.58 0.00 8.37 2.01 -1.26 -1.35 115.64 127.12 1yhq s THR 47 Ca -0.08 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1yhq s THR 47 Cb -0.14 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.90 1yhq s THR 47 CO -0.01 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1yhq n GLY 48 N -0.48 0.34 3.59 4.40 0.00 -0.65 -4.83 105.19 107.55 1yhq n GLY 48 Ca 0.09 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 1yhq n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yhq s ARG 49 N -0.75 3.72 0.36 1.61 3.52 -1.26 -2.81 118.95 123.34 1yhq s ARG 49 Ca 0.00 0.38 0.19 0.00 -0.13 0.00 0.00 55.73 56.17 1yhq s ARG 49 Cb 0.00 -3.85 1.21 0.00 -1.56 0.00 0.00 34.95 30.75 1yhq s ARG 49 CO 0.00 -1.02 1.64 1.49 -0.81 0.00 0.00 175.30 176.60 1yhq h GLU 50 N 8.68 0.20 -0.72 5.12 4.81 -1.94 -1.29 114.58 129.44 1yhq h GLU 50 Ca -0.24 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1yhq h GLU 50 Cb 1.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1yhq h GLU 50 CO 0.98 0.13 0.19 0.93 -0.73 0.00 0.00 179.01 180.51 1yhq h GLU 51 N 0.21 1.15 0.03 1.92 3.07 -1.99 -1.08 114.58 117.88 1yhq h GLU 51 Ca 0.77 -0.27 -0.22 0.00 -0.50 0.00 0.00 59.36 59.15 1yhq h GLU 51 Cb 1.95 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.70 1yhq h GLU 51 CO -0.62 1.00 -0.97 -0.56 -1.40 0.00 0.00 179.01 176.46 1yhq h GLN 52 N 1.09 0.19 0.35 2.33 -0.00 -1.67 -2.62 115.11 114.78 1yhq h GLN 52 Ca 0.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1yhq h GLN 52 Cb 0.36 0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 1yhq h GLN 52 CO 0.00 1.02 -0.17 0.82 -0.00 0.00 0.00 178.83 180.50 1yhq h ILE 53 N 0.09 0.67 -0.98 1.86 2.04 -1.29 -2.27 117.51 117.62 1yhq h ILE 53 Ca -0.06 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1yhq h ILE 53 Cb 1.65 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.45 1yhq h ILE 53 CO 0.15 0.05 0.63 0.58 0.00 0.00 0.00 178.15 179.55 1yhq h VAL 54 N -0.60 1.04 -0.78 1.67 2.07 -1.26 -1.62 116.25 116.77 1yhq h VAL 54 Ca -0.05 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1yhq h VAL 54 Cb 0.44 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 1yhq h VAL 54 CO 0.08 0.20 0.48 -0.33 0.02 0.00 0.00 177.57 178.02 1yhq h GLU 55 N 1.10 0.88 -0.16 1.57 5.08 -1.24 0.14 114.58 121.94 1yhq h GLU 55 Ca 0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1yhq h GLU 55 Cb 0.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1yhq h GLU 55 CO -0.20 0.58 0.07 -0.22 -1.00 0.00 0.00 179.01 178.25 1yhq h LYS 56 N 0.91 0.24 0.00 2.33 3.64 -0.72 -0.79 116.57 122.18 1yhq h LYS 56 Ca 0.33 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1yhq h LYS 56 Cb 0.09 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1yhq h LYS 56 CO -0.14 0.31 -0.41 1.88 -2.27 0.00 0.00 179.45 178.82 1yhq h TYR 57 N 0.12 0.00 -0.24 1.91 -1.99 -1.13 -2.57 116.97 113.07 1yhq h TYR 57 Ca 0.06 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.60 1yhq h TYR 57 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1yhq h TYR 57 CO -0.02 0.41 -0.60 0.93 -0.00 0.00 0.00 178.16 178.88 1yhq h GLU 58 N 0.00 0.79 -0.94 4.88 5.08 -0.50 -2.77 114.58 121.12 1yhq h GLU 58 Ca -0.00 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1yhq h GLU 58 Cb 0.83 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1yhq h GLU 58 CO 0.05 1.15 0.57 -0.22 -1.00 0.00 0.00 179.01 179.57 1yhq h LYS 59 N 0.59 1.27 0.00 2.33 1.63 -0.92 -1.16 116.57 120.32 1yhq h LYS 59 Ca -0.00 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1yhq h LYS 59 Cb 1.20 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1yhq h LYS 59 CO 0.13 0.88 -0.13 0.00 -3.45 0.00 0.00 179.45 176.88 1yhq h ARG 60 N 1.29 0.00 0.10 1.90 3.08 -1.31 -0.62 114.38 118.82 1yhq h ARG 60 Ca 0.34 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.17 1yhq h ARG 60 Cb -0.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.01 1yhq h ARG 60 CO -0.06 0.13 -0.90 0.28 -1.07 0.00 0.00 179.97 178.34 1yhq h VAL 61 N 0.00 1.41 0.00 2.04 2.07 -0.97 -3.32 116.25 117.48 1yhq h VAL 61 Ca -0.00 -2.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.06 1yhq h VAL 61 Cb 0.32 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1yhq h VAL 61 CO 0.02 0.70 -0.38 0.44 0.02 0.00 0.00 177.57 178.36 1yhq h ASP 62 N -0.08 0.00 -4.09 0.57 3.32 -0.75 -3.45 116.42 111.95 1yhq h ASP 62 Ca -0.14 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.38 1yhq h ASP 62 Cb 1.64 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.31 1yhq h ASP 62 CO 0.17 0.38 0.49 -0.63 -1.72 0.00 0.00 179.24 177.93 1yhq s ILE 63 N -4.17 2.55 -5.00 0.35 1.01 -0.29 -4.94 121.20 110.72 1yhq s ILE 63 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1yhq s ILE 63 Cb 0.14 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1yhq s ILE 63 CO 0.73 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1yhq n GLY 64 N 0.56 0.38 0.00 6.18 0.00 -1.26 -4.63 105.19 106.42 1yhq n GLY 64 Ca 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1yhq n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yhq n ASN 65 N 3.00 0.00 -0.23 1.61 0.23 -1.26 -4.94 115.26 113.67 1yhq n ASN 65 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 1yhq n ASN 65 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 1yhq n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1yhq h ASP 66 N 0.00 0.55 -0.89 0.53 3.32 -2.05 0.08 116.42 117.96 1yhq h ASP 66 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1yhq h ASP 66 Cb 0.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1yhq h ASP 66 CO 0.00 0.36 0.57 -1.13 -1.72 0.00 0.00 179.24 177.32 1yhq h ASN 67 N 0.68 1.04 -3.08 6.45 -0.73 -2.05 -3.48 115.58 114.41 1yhq h ASN 67 Ca 0.30 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1yhq h ASN 67 Cb 0.19 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.52 1yhq h ASN 67 CO -0.18 0.77 0.00 0.61 -0.37 0.00 0.00 177.43 178.26 1yhq n GLY 68 N -1.35 0.87 2.25 1.57 0.00 0.01 -4.99 105.19 103.56 1yhq n GLY 68 Ca 0.10 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 1yhq n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yhq n TYR 69 N 1.16 -0.67 -1.83 1.61 9.36 -1.26 -4.79 117.16 120.74 1yhq n TYR 69 Ca 0.00 -3.38 -0.41 0.00 3.32 0.00 0.00 57.90 57.44 1yhq n TYR 69 Cb 0.00 -0.15 -0.03 0.00 -0.63 0.00 0.00 39.34 38.53 1yhq n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1yhq s PHE 70 N -1.01 1.48 -0.13 2.98 5.36 -1.26 -4.77 117.98 120.62 1yhq s PHE 70 Ca 0.35 0.82 -0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1yhq s PHE 70 Cb 0.18 -3.97 -0.02 0.00 -0.34 0.00 0.00 43.02 38.88 1yhq s PHE 70 CO -0.12 -3.03 -0.11 -0.47 -1.46 0.00 0.00 175.22 170.03 1yhq s TYR 71 N 8.68 2.86 0.58 10.12 5.04 -1.26 -5.10 117.35 138.26 1yhq s TYR 71 Ca 0.86 -0.53 -0.19 0.00 -2.44 0.00 0.00 57.07 54.76 1yhq s TYR 71 Cb -0.22 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 1yhq s TYR 71 CO 0.30 -0.15 1.22 -1.25 -1.34 0.00 0.00 175.55 174.34 1yhq s PRO 72 N 0.29 3.05 -0.08 4.97 0.04 -1.26 -4.91 135.00 137.11 1yhq s PRO 72 Ca -0.08 1.87 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1yhq s PRO 72 Cb -0.15 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1yhq s PRO 72 CO 0.05 -1.15 0.03 1.63 0.04 0.00 0.00 177.00 177.59 1yhq n LYS 73 N -1.44 2.71 -2.50 4.56 5.02 -1.26 -4.66 118.16 120.59 1yhq n LYS 73 Ca 0.13 -0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1yhq n LYS 73 Cb 0.49 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.27 1yhq n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1yhq s ARG 74 N -2.19 3.91 0.57 1.97 1.81 -1.26 -4.18 118.95 119.58 1yhq s ARG 74 Ca -0.04 1.47 0.26 0.00 -1.72 0.00 0.00 55.73 55.71 1yhq s ARG 74 Cb 0.02 -2.29 1.63 0.00 -0.45 0.00 0.00 34.95 33.87 1yhq s ARG 74 CO 0.32 -0.36 2.18 -1.00 -0.68 0.00 0.00 175.30 175.76 1yhq h PRO 75 N 1.94 0.00 0.00 3.54 0.13 -1.94 -1.42 132.00 134.25 1yhq h PRO 75 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1yhq h PRO 75 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1yhq h PRO 75 CO 0.60 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.90 1yhq n ASP 76 N -4.02 0.00 0.08 1.44 -0.08 -1.26 -2.46 116.55 110.25 1yhq n ASP 76 Ca -0.01 0.98 -0.05 0.00 -1.51 0.00 0.00 54.79 54.21 1yhq n ASP 76 Cb 0.18 -0.48 0.14 0.00 2.34 0.00 0.00 41.12 43.30 1yhq n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1yhq h GLY 77 N 0.00 0.28 0.18 0.27 0.00 -1.85 -2.82 103.07 99.13 1yhq h GLY 77 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.08 1yhq h GLY 77 CO 0.00 0.29 -0.12 -2.22 0.00 0.00 0.00 176.54 174.50 1yhq h ILE 78 N 0.20 0.57 -0.52 2.60 1.08 -1.20 0.59 117.51 120.83 1yhq h ILE 78 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1yhq h ILE 78 Cb 1.03 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1yhq h ILE 78 CO 0.09 0.00 0.03 0.15 -0.69 0.00 0.00 178.15 177.73 1yhq h PHE 79 N -0.03 0.96 -0.80 1.37 -0.00 -1.51 -0.30 116.94 116.64 1yhq h PHE 79 Ca 0.19 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.97 57.99 1yhq h PHE 79 Cb 0.31 -0.26 -0.04 0.00 -0.00 0.00 0.00 35.95 35.97 1yhq h PHE 79 CO -0.36 0.88 0.43 -0.22 -0.00 0.00 0.00 178.31 179.04 1yhq h LYS 80 N 0.76 1.12 -0.24 1.11 1.63 -0.95 -1.48 116.57 118.52 1yhq h LYS 80 Ca 0.15 -0.14 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 1yhq h LYS 80 Cb 0.48 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1yhq h LYS 80 CO 0.02 0.83 -0.37 -0.09 -3.45 0.00 0.00 179.45 176.40 1yhq h ARG 81 N 1.12 0.54 -0.93 1.90 9.65 0.38 -1.76 114.38 125.28 1yhq h ARG 81 Ca 0.28 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1yhq h ARG 81 Cb 0.04 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 1yhq h ARG 81 CO -0.04 0.83 0.53 1.15 2.80 0.00 0.00 179.97 185.24 1yhq h THR 82 N 0.45 1.26 -0.29 0.20 2.02 -0.35 -2.09 112.91 114.11 1yhq h THR 82 Ca 0.05 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1yhq h THR 82 Cb 0.85 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1yhq h THR 82 CO 0.07 0.28 -0.18 0.40 0.37 0.00 0.00 175.52 176.46 1yhq h ILE 83 N 1.28 1.30 -0.39 3.11 2.04 -1.04 -3.03 117.51 120.78 1yhq h ILE 83 Ca 0.33 -1.30 0.07 0.00 1.00 0.00 0.00 64.86 64.96 1yhq h ILE 83 Cb -0.02 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1yhq h ILE 83 CO -0.06 0.41 0.27 -0.09 0.00 0.00 0.00 178.15 178.69 1yhq h ARG 84 N 0.38 0.21 0.00 2.37 2.43 -0.87 0.14 114.38 119.05 1yhq h ARG 84 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1yhq h ARG 84 Cb 0.71 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1yhq h ARG 84 CO 0.05 0.14 0.00 0.41 -1.51 0.00 0.00 179.97 179.06 1yhq n GLY 85 N -1.55 -0.94 0.62 2.80 0.00 -0.83 -2.02 105.19 103.28 1yhq n GLY 85 Ca 0.05 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1yhq n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yhq n MET 86 N -1.33 2.84 -4.25 1.61 2.81 0.50 -4.98 117.12 114.32 1yhq n MET 86 Ca 0.08 -2.22 -0.18 0.00 -1.81 0.00 0.00 57.70 53.57 1yhq n MET 86 Cb 0.16 -1.40 -0.13 0.00 -0.71 0.00 0.00 33.22 31.14 1yhq n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1yhq s LEU 87 N -1.55 2.16 -1.45 4.03 1.43 -0.85 -4.89 118.68 117.56 1yhq s LEU 87 Ca 0.26 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1yhq s LEU 87 Cb 0.17 -0.45 0.04 0.00 0.03 0.00 0.00 46.19 45.99 1yhq s LEU 87 CO 0.12 -0.02 2.33 -0.81 0.23 0.00 0.00 176.35 178.20 1yhq n PRO 88 N 1.97 3.32 0.00 1.29 -0.04 -1.26 -4.73 135.00 135.55 1yhq n PRO 88 Ca -0.18 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.52 1yhq n PRO 88 Cb 0.55 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1yhq n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1yhq n HIS 89 N 4.78 0.00 1.01 0.54 1.44 -1.26 -1.31 115.22 120.42 1yhq n HIS 89 Ca 0.56 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.38 1yhq n HIS 89 Cb 0.34 -0.30 -0.01 0.00 0.12 0.00 0.00 29.99 30.14 1yhq n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1yhq n LYS 90 N -1.28 0.20 -3.57 -1.40 5.02 -1.26 -3.92 118.16 111.95 1yhq n LYS 90 Ca 0.00 -0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 55.86 1yhq n LYS 90 Cb 0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1yhq n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yhq s LYS 91 N -2.91 3.55 0.10 1.97 1.02 -0.42 -4.91 119.74 118.13 1yhq s LYS 91 Ca 0.11 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.53 1yhq s LYS 91 Cb 0.17 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.59 1yhq s LYS 91 CO 0.78 0.32 1.51 0.37 -0.92 0.00 0.00 175.35 177.41 1yhq h GLN 92 N 1.76 -0.57 -0.95 1.68 4.15 -1.91 0.28 115.11 119.55 1yhq h GLN 92 Ca -0.48 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.07 1yhq h GLN 92 Cb 1.19 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.94 1yhq h GLN 92 CO 0.67 -0.38 0.59 -0.09 -1.93 0.00 0.00 178.83 177.69 1yhq h ARG 93 N -0.59 0.96 -0.50 1.69 2.43 -1.95 -1.37 114.38 115.06 1yhq h ARG 93 Ca 0.02 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1yhq h ARG 93 Cb 0.65 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1yhq h ARG 93 CO -0.35 0.64 -0.03 0.78 -1.51 0.00 0.00 179.97 179.50 1yhq h GLY 94 N 0.99 0.97 1.34 2.80 0.00 -1.42 -2.38 103.07 105.36 1yhq h GLY 94 Ca 0.45 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 1yhq h GLY 94 CO -0.23 0.67 -0.44 -0.09 0.00 0.00 0.00 176.54 176.45 1yhq h ARG 95 N 0.75 0.72 -0.41 4.80 2.43 -0.02 -2.33 114.38 120.32 1yhq h ARG 95 Ca 0.14 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1yhq h ARG 95 Cb 0.55 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1yhq h ARG 95 CO 0.03 1.01 0.24 0.93 -1.51 0.00 0.00 179.97 180.67 1yhq h GLU 96 N 0.58 0.47 0.10 0.20 5.08 -1.17 -0.35 114.58 119.48 1yhq h GLU 96 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1yhq h GLU 96 Cb 0.99 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1yhq h GLU 96 CO 0.09 0.31 -0.05 0.00 -1.00 0.00 0.00 179.01 178.37 1yhq h ALA 97 N 1.18 -0.13 -0.99 3.43 0.00 -1.36 -2.53 119.26 118.86 1yhq h ALA 97 Ca 0.16 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1yhq h ALA 97 Cb 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1yhq h ALA 97 CO -0.08 -0.49 0.64 0.35 0.00 0.00 0.00 179.25 179.67 1yhq h PHE 98 N -0.30 1.17 0.00 0.00 3.57 -1.28 -0.69 116.94 119.40 1yhq h PHE 98 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1yhq h PHE 98 Cb 0.25 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1yhq h PHE 98 CO -0.02 0.57 0.00 0.39 -2.23 0.00 0.00 178.31 177.03 1yhq n GLU 99 N -4.52 0.05 -1.07 1.11 1.02 -0.15 -2.26 120.64 114.81 1yhq n GLU 99 Ca 0.16 0.19 -0.16 0.00 -0.02 0.00 0.00 57.16 57.33 1yhq n GLU 99 Cb 0.22 -1.58 0.20 0.00 -0.02 0.00 0.00 31.44 30.26 1yhq n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1yhq n SER 100 N -1.66 3.39 -3.80 1.62 3.41 -0.27 -4.85 113.62 111.46 1yhq n SER 100 Ca 0.05 -3.64 -0.20 0.00 -0.26 0.00 0.00 58.87 54.82 1yhq n SER 100 Cb 0.26 -0.76 -0.17 0.00 -0.26 0.00 0.00 64.21 63.27 1yhq n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1yhq s VAL 101 N -3.26 0.27 0.04 -3.33 1.01 -0.96 -1.71 120.40 112.46 1yhq s VAL 101 Ca 0.53 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1yhq s VAL 101 Cb 0.45 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.42 1yhq s VAL 101 CO 0.07 0.20 -0.11 -0.13 0.00 0.00 0.00 175.10 175.13 1yhq s ARG 102 N 1.43 0.70 0.02 2.72 0.52 -0.88 -4.98 118.95 118.49 1yhq s ARG 102 Ca -0.04 -0.75 0.06 0.00 -0.52 0.00 0.00 55.73 54.48 1yhq s ARG 102 Cb -0.13 -0.62 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 1yhq s ARG 102 CO -0.03 0.14 -0.15 0.08 0.02 0.00 0.00 175.30 175.37 1yhq s VAL 103 N -1.08 3.05 0.07 3.52 1.01 -1.26 -1.14 120.40 124.57 1yhq s VAL 103 Ca -0.03 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1yhq s VAL 103 Cb -0.09 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1yhq s VAL 103 CO 0.01 0.39 -0.15 -0.31 0.00 0.00 0.00 175.10 175.04 1yhq s TYR 104 N -0.91 1.27 -0.23 5.22 1.51 0.38 -4.94 117.35 119.64 1yhq s TYR 104 Ca 0.15 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.53 1yhq s TYR 104 Cb -0.11 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1yhq s TYR 104 CO 0.05 0.06 0.81 -0.51 -1.11 0.00 0.00 175.55 174.85 1yhq s LEU 105 N -1.62 4.09 0.00 -1.29 1.43 -1.26 -1.83 118.68 118.20 1yhq s LEU 105 Ca -0.01 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1yhq s LEU 105 Cb -0.10 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1yhq s LEU 105 CO 0.02 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1yhq n GLY 106 N 3.75 -0.90 2.86 -3.19 0.00 -1.26 -4.71 105.19 101.74 1yhq n GLY 106 Ca 0.05 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1yhq n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yhq s ASN 107 N -4.00 3.86 0.00 1.61 3.04 -1.26 -0.86 114.94 117.33 1yhq s ASN 107 Ca 0.00 -1.36 0.29 0.00 0.04 0.00 0.00 52.86 51.83 1yhq s ASN 107 Cb 0.00 -1.06 1.52 0.00 -1.54 0.00 0.00 41.25 40.17 1yhq s ASN 107 CO 0.00 -0.31 2.02 -0.81 -3.04 0.00 0.00 177.10 174.96 1yhq n PRO 108 N 4.73 0.53 -2.72 0.43 -0.04 -1.26 -4.84 135.00 131.82 1yhq n PRO 108 Ca -0.07 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.20 1yhq n PRO 108 Cb 0.44 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1yhq n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1yhq s TYR 109 N -2.44 2.77 -0.08 0.54 1.51 -1.26 -5.03 117.35 113.35 1yhq s TYR 109 Ca 0.31 -0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 56.19 1yhq s TYR 109 Cb 0.19 -2.68 -0.27 0.00 -0.11 0.00 0.00 41.96 39.10 1yhq s TYR 109 CO 0.42 -0.82 0.52 -0.44 -1.11 0.00 0.00 175.55 174.11 1yhq h ASP 110 N 0.17 0.44 -4.18 2.29 3.32 -2.06 -3.46 116.42 112.93 1yhq h ASP 110 Ca -0.41 -0.84 -0.51 0.00 0.02 0.00 0.00 57.03 55.29 1yhq h ASP 110 Cb 1.29 -0.14 0.11 0.00 0.22 0.00 0.00 39.33 40.81 1yhq h ASP 110 CO 0.50 1.74 0.38 -1.61 -1.72 0.00 0.00 179.24 178.53 1yhq s GLU 111 N -2.57 2.73 0.14 3.56 2.02 -1.26 -5.01 118.70 118.31 1yhq s GLU 111 Ca -0.18 1.49 -0.10 0.00 0.02 0.00 0.00 54.97 56.20 1yhq s GLU 111 Cb 0.06 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.30 1yhq s GLU 111 CO 0.81 -1.32 0.46 -0.51 0.02 0.00 0.00 175.26 174.72 1yhq s ASP 112 N -2.38 6.65 0.99 -0.19 1.11 -1.26 -5.03 116.67 116.56 1yhq s ASP 112 Ca 0.69 0.85 -0.13 0.00 0.18 0.00 0.00 52.55 54.14 1yhq s ASP 112 Cb -0.23 -2.20 0.18 0.00 1.07 0.00 0.00 42.92 41.75 1yhq s ASP 112 CO 0.41 0.07 1.11 -0.83 1.18 0.00 0.00 175.17 177.11 1yhq s GLY 113 N -2.02 1.56 0.15 0.21 0.00 -1.26 -4.98 107.32 100.98 1yhq s GLY 113 Ca 0.39 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1yhq s GLY 113 CO 0.20 0.17 0.20 -1.83 0.00 0.00 0.00 173.10 171.85 1yhq s GLU 114 N -5.06 3.16 -0.24 2.90 -1.05 0.48 -4.58 118.70 114.31 1yhq s GLU 114 Ca 0.65 -0.73 -0.12 0.00 -0.15 0.00 0.00 54.97 54.63 1yhq s GLU 114 Cb -0.17 -2.81 -0.05 0.00 -0.44 0.00 0.00 34.13 30.66 1yhq s GLU 114 CO 0.56 0.51 0.21 0.08 0.95 0.00 0.00 175.26 177.57 1yhq s VAL 115 N -1.72 5.32 0.31 1.83 1.01 -1.26 -1.20 120.40 124.69 1yhq s VAL 115 Ca 0.33 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 1yhq s VAL 115 Cb -0.11 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1yhq s VAL 115 CO 0.26 0.32 1.00 -0.76 0.00 0.00 0.00 175.10 175.92 1yhq s LEU 116 N 1.17 4.42 0.33 3.92 1.43 -1.26 -4.99 118.68 123.70 1yhq s LEU 116 Ca 0.10 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.91 1yhq s LEU 116 Cb -0.14 -3.87 -0.11 0.00 0.03 0.00 0.00 46.19 42.11 1yhq s LEU 116 CO 0.06 -0.12 1.46 -1.81 0.23 0.00 0.00 176.35 176.17 1yhq s ASP 117 N -1.33 6.50 0.00 2.29 1.01 -1.26 -2.86 116.67 121.02 1yhq s ASP 117 Ca 0.48 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.63 1yhq s ASP 117 Cb -0.24 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.04 1yhq s ASP 117 CO 0.30 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.52 1yhq n GLY 118 N 1.15 0.40 0.00 0.21 0.00 -1.26 -4.87 105.19 100.82 1yhq n GLY 118 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1yhq n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yhq n THR 119 N -2.71 0.00 -2.68 2.61 -2.24 -1.13 -4.97 114.28 103.15 1yhq n THR 119 Ca 0.00 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 1yhq n THR 119 Cb 0.12 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 1yhq n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yhq s SER 120 N -2.47 6.95 -0.06 3.42 0.15 -1.26 -0.26 113.70 120.17 1yhq s SER 120 Ca 0.01 1.89 0.04 0.00 0.70 0.00 0.00 55.95 58.59 1yhq s SER 120 Cb 0.08 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1yhq s SER 120 CO 0.46 -0.35 -0.17 -0.22 1.20 0.00 0.00 173.24 174.16 1yhq s LEU 121 N -2.63 2.57 -0.52 3.45 2.96 0.31 -4.83 118.68 119.99 1yhq s LEU 121 Ca 0.57 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 54.00 1yhq s LEU 121 Cb -0.18 -1.51 0.07 0.00 0.50 0.00 0.00 46.19 45.06 1yhq s LEU 121 CO 0.23 0.31 0.65 -0.62 -1.32 0.00 0.00 176.35 175.60 1yhq s ASP 122 N -0.50 6.22 0.55 3.68 -1.08 -1.26 -4.90 116.67 119.38 1yhq s ASP 122 Ca 0.06 -0.98 0.24 0.00 -0.52 0.00 0.00 52.55 51.36 1yhq s ASP 122 Cb -0.12 -2.30 1.46 0.00 -1.46 0.00 0.00 42.92 40.50 1yhq s ASP 122 CO 0.01 -0.95 2.06 0.03 0.52 0.00 0.00 175.17 176.85 1yhq h ARG 123 N 9.05 0.00 0.00 4.34 3.08 -1.96 0.81 114.38 129.70 1yhq h ARG 123 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1yhq h ARG 123 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1yhq h ARG 123 CO 1.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 181.18 1yhq n LEU 124 N -4.21 0.41 -0.15 3.04 4.77 -1.26 -3.11 117.00 116.49 1yhq n LEU 124 Ca 0.04 0.57 0.03 0.00 -0.03 0.00 0.00 56.01 56.62 1yhq n LEU 124 Cb 0.40 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1yhq n LEU 124 CO 0.33 -0.26 0.21 -1.20 -1.33 0.00 0.00 177.39 175.13 1yhq n SER 125 N -1.92 1.02 -3.91 -1.43 7.64 0.20 -5.01 113.62 110.22 1yhq n SER 125 Ca 0.04 -1.01 -0.18 0.00 1.01 0.00 0.00 58.87 58.74 1yhq n SER 125 Cb 0.29 0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 63.72 1yhq n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1yhq s ASN 126 N -0.88 0.70 0.00 6.43 0.01 -0.75 -5.00 114.94 115.45 1yhq s ASN 126 Ca 0.05 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 1yhq s ASN 126 Cb 0.05 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.46 1yhq s ASN 126 CO 0.13 -0.01 0.00 -0.38 -1.51 0.00 0.00 177.10 175.33 1yhq n ILE 127 N 3.59 0.00 -3.24 0.60 5.41 -1.26 -4.69 119.36 119.77 1yhq n ILE 127 Ca -0.21 -0.02 -0.46 0.00 1.00 0.00 0.00 62.75 63.07 1yhq n ILE 127 Cb 0.54 0.48 -0.02 0.00 -0.71 0.00 0.00 39.64 39.93 1yhq n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1yhq s LYS 128 N -1.80 3.72 0.15 0.38 1.02 -1.26 -4.94 119.74 117.01 1yhq s LYS 128 Ca 0.00 -2.46 -0.25 0.00 0.02 0.00 0.00 55.97 53.28 1yhq s LYS 128 Cb 0.00 -4.57 0.06 0.00 -0.52 0.00 0.00 37.83 32.81 1yhq s LYS 128 CO 0.00 -1.39 0.89 -0.59 -0.92 0.00 0.00 175.35 173.34 1yhq s PHE 129 N 0.45 -0.19 0.05 3.18 -0.12 -1.12 -1.64 117.98 118.60 1yhq s PHE 129 Ca 0.24 -0.12 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1yhq s PHE 129 Cb -0.09 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1yhq s PHE 129 CO -0.09 -0.86 0.01 0.08 -0.05 0.00 0.00 175.22 174.32 1yhq s VAL 130 N -3.39 0.19 -0.04 -2.49 1.01 -0.45 -4.81 120.40 110.42 1yhq s VAL 130 Ca 0.11 -1.60 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 1yhq s VAL 130 Cb -0.02 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1yhq s VAL 130 CO 0.01 -0.88 0.31 -0.89 0.00 0.00 0.00 175.10 173.65 1yhq s THR 131 N -3.63 5.20 0.25 3.92 2.01 -1.26 -1.47 115.64 120.66 1yhq s THR 131 Ca 0.04 0.60 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 1yhq s THR 131 Cb 0.06 -3.60 0.22 0.00 0.01 0.00 0.00 72.50 69.18 1yhq s THR 131 CO -0.09 0.58 1.78 -0.07 -0.69 0.00 0.00 174.62 176.13 1yhq h LEU 132 N 4.75 0.57 -0.88 4.42 3.38 -1.50 -0.02 115.31 126.03 1yhq h LEU 132 Ca -0.53 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1yhq h LEU 132 Cb 1.22 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1yhq h LEU 132 CO 0.60 0.29 0.56 1.23 0.09 0.00 0.00 178.44 181.21 1yhq h GLY 133 N 0.68 1.31 1.33 0.83 0.00 -1.63 -0.80 103.07 104.79 1yhq h GLY 133 Ca 0.42 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1yhq h GLY 133 CO -0.30 0.32 0.15 0.83 0.00 0.00 0.00 176.54 177.54 1yhq h GLU 134 N 1.05 0.84 -0.20 4.80 5.08 -1.31 -1.60 114.58 123.24 1yhq h GLU 134 Ca 0.37 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1yhq h GLU 134 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1yhq h GLU 134 CO -0.15 0.75 -0.02 0.82 -1.00 0.00 0.00 179.01 179.41 1yhq h ILE 135 N 0.82 1.27 -0.94 3.13 2.04 -0.35 -2.08 117.51 121.39 1yhq h ILE 135 Ca 0.18 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1yhq h ILE 135 Cb 0.27 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1yhq h ILE 135 CO -0.00 0.28 0.62 0.28 0.00 0.00 0.00 178.15 179.33 1yhq h SER 136 N 0.12 1.05 -0.44 1.72 0.02 -0.90 0.35 113.55 115.46 1yhq h SER 136 Ca 0.06 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1yhq h SER 136 Cb 0.43 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1yhq h SER 136 CO 0.01 0.73 0.05 -0.33 -1.14 0.00 0.00 176.83 176.16 1yhq h GLU 137 N 1.22 0.75 -0.78 3.45 5.08 -1.22 0.24 114.58 123.33 1yhq h GLU 137 Ca 0.36 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1yhq h GLU 137 Cb -0.05 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1yhq h GLU 137 CO -0.10 0.79 0.29 1.15 -1.00 0.00 0.00 179.01 180.13 1yhq h THR 138 N 0.61 1.26 0.00 1.13 2.02 -0.60 -1.91 112.91 115.42 1yhq h THR 138 Ca 0.13 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1yhq h THR 138 Cb 0.41 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1yhq h THR 138 CO 0.01 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.43 1yhq n LEU 139 N -4.27 0.55 0.00 2.58 4.77 0.11 -4.85 117.00 115.90 1yhq n LEU 139 Ca 0.07 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1yhq n LEU 139 Cb 0.20 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1yhq n LEU 139 CO 0.41 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1yhq n GLY 140 N -0.30 0.68 3.56 -0.72 0.00 -0.72 -5.07 105.19 102.62 1yhq n GLY 140 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1yhq n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq n ALA 141 N -1.22 -1.40 -2.71 4.61 0.00 0.78 -4.93 120.51 115.65 1yhq n ALA 141 Ca 0.00 -0.49 -0.44 0.00 0.00 0.00 0.00 53.44 52.51 1yhq n ALA 141 Cb 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 1yhq n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1yhq s ASN 142 N -2.15 6.22 -0.75 0.00 3.84 -1.26 -4.64 114.94 116.19 1yhq s ASN 142 Ca 0.64 -0.87 -0.24 0.00 0.21 0.00 0.00 52.86 52.61 1yhq s ASN 142 Cb -0.25 -2.27 -0.16 0.00 -0.55 0.00 0.00 41.25 38.02 1yhq s ASN 142 CO 0.60 -0.81 2.40 1.17 -2.79 0.00 0.00 177.10 177.68 1yhq n LYS 143 N 5.99 0.56 0.00 0.43 4.81 -1.26 -4.66 118.16 124.03 1yhq n LYS 143 Ca -0.07 -0.41 0.11 0.00 -0.87 0.00 0.00 58.31 57.08 1yhq n LYS 143 Cb 0.46 -3.03 0.08 0.00 0.02 0.00 0.00 35.03 32.56 1yhq n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1yhq n THR 144 N 7.97 0.00 1.06 3.15 5.66 -1.26 -5.22 114.28 125.65 1yhq n THR 144 Ca 0.49 -0.23 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 1yhq n THR 144 Cb 0.38 1.06 0.15 0.00 -1.55 0.00 0.00 70.33 70.38 1yhq n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35