#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuq s SER 2 N 0.00 6.10 -0.34 1.61 0.15 -1.26 -4.95 113.70 115.01 2yuq s SER 2 Ca 0.00 1.76 -0.00 0.00 0.70 0.00 0.00 55.95 58.40 2yuq s SER 2 Cb 0.00 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.89 2yuq s SER 2 CO 0.00 -1.47 0.14 -0.44 1.20 0.00 0.00 173.24 172.67 2yuq s SER 3 N 5.48 3.85 0.00 5.45 0.01 -1.26 -4.89 113.70 122.34 2yuq s SER 3 Ca 0.82 -1.86 0.00 0.00 1.31 0.00 0.00 55.95 56.21 2yuq s SER 3 Cb -0.28 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.11 2yuq s SER 3 CO 0.33 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2yuq n GLY 4 N 4.55 0.13 0.07 3.44 0.00 -1.26 -5.10 105.19 107.02 2yuq n GLY 4 Ca 0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 2yuq n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yuq h SER 5 N 0.00 0.00 -4.19 1.61 0.87 -2.03 -3.47 113.55 106.34 2yuq h SER 5 Ca 0.00 -0.03 -0.50 0.00 -1.23 0.00 0.00 61.79 60.03 2yuq h SER 5 Cb 0.00 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.04 2yuq h SER 5 CO 0.00 0.75 0.38 -0.94 -0.53 0.00 0.00 176.83 176.49 2yuq s SER 6 N -5.76 5.46 -0.99 6.23 1.04 -1.26 -4.99 113.70 113.43 2yuq s SER 6 Ca -0.13 1.93 -0.08 0.00 0.48 0.00 0.00 55.95 58.15 2yuq s SER 6 Cb 0.02 -2.54 0.25 0.00 0.10 0.00 0.00 66.02 63.84 2yuq s SER 6 CO 0.20 -1.39 0.94 -0.83 0.98 0.00 0.00 173.24 173.15 2yuq s GLY 7 N -2.62 3.07 -0.41 7.32 0.00 -1.26 -5.02 107.32 108.41 2yuq s GLY 7 Ca 0.66 -3.74 -0.18 0.00 0.00 0.00 0.00 44.72 41.46 2yuq s GLY 7 CO 0.38 1.27 0.49 -0.54 0.00 0.00 0.00 173.10 174.70 2yuq s GLU 8 N -1.01 3.26 0.04 2.90 0.41 -1.26 -5.02 118.70 118.02 2yuq s GLU 8 Ca 0.27 -0.55 -0.27 0.00 -0.41 0.00 0.00 54.97 54.01 2yuq s GLU 8 Cb -0.10 -3.92 0.07 0.00 -1.78 0.00 0.00 34.13 28.40 2yuq s GLU 8 CO -0.09 -0.83 0.67 -0.51 -0.49 0.00 0.00 175.26 174.01 2yuq s ASP 9 N 1.84 -0.60 -0.19 -0.19 1.01 -1.26 -5.16 116.67 112.12 2yuq s ASP 9 Ca 0.15 0.35 -0.04 0.00 0.71 0.00 0.00 52.55 53.72 2yuq s ASP 9 Cb -0.16 0.55 0.10 0.00 1.01 0.00 0.00 42.92 44.42 2yuq s ASP 9 CO 0.15 -0.76 0.32 0.21 0.21 0.00 0.00 175.17 175.29 2yuq s ASN 10 N -1.95 0.39 0.43 0.27 3.84 -1.26 -5.16 114.94 111.51 2yuq s ASN 10 Ca -0.05 0.41 0.04 0.00 0.21 0.00 0.00 52.86 53.47 2yuq s ASN 10 Cb -0.01 0.89 0.00 0.00 -0.55 0.00 0.00 41.25 41.59 2yuq s ASN 10 CO -0.02 -0.27 0.62 0.00 -2.79 0.00 0.00 177.10 174.64 2yuq s ARG 11 N 2.48 2.93 0.09 0.43 1.70 -1.26 -5.09 118.95 120.23 2yuq s ARG 11 Ca 0.05 -0.83 -0.19 0.00 -0.47 0.00 0.00 55.73 54.29 2yuq s ARG 11 Cb -0.14 -2.65 -0.07 0.00 -0.57 0.00 0.00 34.95 31.52 2yuq s ARG 11 CO -0.12 -0.26 0.59 0.50 -1.08 0.00 0.00 175.30 174.92 2yuq s ARG 12 N -4.45 4.21 0.82 3.89 3.52 -1.26 -5.07 118.95 120.61 2yuq s ARG 12 Ca 0.50 0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 56.74 2yuq s ARG 12 Cb -0.10 -3.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.18 2yuq s ARG 12 CO 0.35 0.61 1.09 -1.25 -0.81 0.00 0.00 175.30 175.30 2yuq s PRO 13 N -1.22 1.86 -0.27 5.12 0.04 -1.26 -5.01 135.00 134.26 2yuq s PRO 13 Ca 0.31 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 2yuq s PRO 13 Cb -0.19 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 2yuq s PRO 13 CO 0.20 -1.89 -0.27 1.28 0.04 0.00 0.00 177.00 176.36 2yuq n LEU 14 N -3.67 2.45 0.00 -3.56 4.77 -1.26 -5.00 117.00 110.73 2yuq n LEU 14 Ca 0.08 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 2yuq n LEU 14 Cb 0.54 -0.87 0.15 0.00 -2.33 0.00 0.00 43.42 40.91 2yuq n LEU 14 CO 0.54 0.75 0.30 0.79 -1.33 0.00 0.00 177.39 178.44 2yuq n TRP 15 N -3.77 -3.36 -3.97 -1.77 7.02 -1.26 -5.04 117.44 105.28 2yuq n TRP 15 Ca -0.50 -0.54 -0.29 0.00 -1.02 0.00 0.00 57.50 55.15 2yuq n TRP 15 Cb 0.94 -0.67 -0.04 0.00 -2.42 0.00 0.00 31.31 29.11 2yuq n TRP 15 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2yuq s GLU 16 N -4.35 3.25 0.25 -0.99 2.02 -1.26 -5.02 118.70 112.61 2yuq s GLU 16 Ca 0.40 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.83 2yuq s GLU 16 Cb -0.05 -2.91 0.30 0.00 0.10 0.00 0.00 34.13 31.58 2yuq s GLU 16 CO 0.31 0.57 1.62 -1.00 0.02 0.00 0.00 175.26 176.78 2yuq h PRO 17 N 2.84 0.39 0.08 0.39 0.13 -2.01 -3.20 132.00 130.62 2yuq h PRO 17 Ca -0.46 -0.20 -0.28 0.00 -0.87 0.00 0.00 66.00 64.18 2yuq h PRO 17 Cb 1.17 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2yuq h PRO 17 CO 0.71 0.76 -1.14 1.05 -0.23 0.00 0.00 178.00 179.15 2yuq h GLU 18 N 0.31 0.63 -6.87 0.86 -0.00 -2.05 -3.46 114.58 104.00 2yuq h GLU 18 Ca 0.02 -0.79 -0.54 0.00 -0.00 0.00 0.00 59.36 58.06 2yuq h GLU 18 Cb 0.92 0.25 0.20 0.00 -0.00 0.00 0.00 28.75 30.12 2yuq h GLU 18 CO 0.08 1.35 -0.33 0.39 -0.00 0.00 0.00 179.01 180.49 2yuq n GLU 19 N -3.85 -0.13 -3.34 1.06 1.02 -1.21 -4.93 120.64 109.25 2yuq n GLU 19 Ca -0.13 0.01 -0.46 0.00 -0.02 0.00 0.00 57.16 56.57 2yuq n GLU 19 Cb 0.93 -1.98 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 2yuq n GLU 19 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2yuq s THR 20 N -2.29 5.27 -0.09 2.62 2.01 -1.26 -4.90 115.64 117.00 2yuq s THR 20 Ca 0.62 -1.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.58 2yuq s THR 20 Cb -0.25 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 2yuq s THR 20 CO 0.62 -0.93 0.24 -0.69 -0.69 0.00 0.00 174.62 173.17 2yuq s VAL 21 N 0.97 5.34 0.37 3.82 1.01 -1.26 -2.14 120.40 128.51 2yuq s VAL 21 Ca 0.09 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.56 2yuq s VAL 21 Cb -0.22 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2yuq s VAL 21 CO -0.02 0.58 0.04 0.68 0.00 0.00 0.00 175.10 176.38 2yuq s VAL 22 N -0.87 1.51 0.02 2.92 -7.23 -0.00 -2.91 120.40 113.83 2yuq s VAL 22 Ca 0.18 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2yuq s VAL 22 Cb -0.14 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 2yuq s VAL 22 CO 0.07 0.00 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.16 2yuq s ILE 23 N -3.03 0.51 -0.17 -0.62 1.01 -0.20 0.03 121.20 118.73 2yuq s ILE 23 Ca 0.34 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 2yuq s ILE 23 Cb 0.09 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 2yuq s ILE 23 CO 0.16 -0.13 0.60 0.00 0.00 0.00 0.00 174.94 175.57 2yuq s ALA 24 N -0.77 3.51 0.13 9.38 0.00 -1.05 -0.35 121.76 132.62 2yuq s ALA 24 Ca -0.04 -0.23 0.12 0.00 0.00 0.00 0.00 51.96 51.81 2yuq s ALA 24 Cb -0.06 -2.89 0.17 0.00 0.00 0.00 0.00 23.12 20.34 2yuq s ALA 24 CO 0.00 -0.40 1.49 -0.07 0.00 0.00 0.00 175.76 176.79 2yuq h LEU 25 N 7.75 0.00 -8.35 0.00 3.38 -1.36 -2.06 115.31 114.67 2yuq h LEU 25 Ca -0.34 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 2yuq h LEU 25 Cb 1.16 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 2yuq h LEU 25 CO 0.76 0.68 -0.72 -0.31 0.09 0.00 0.00 178.44 178.95 2yuq s TYR 26 N -3.19 0.86 -0.91 1.13 2.02 -1.26 -4.70 117.35 111.30 2yuq s TYR 26 Ca 0.01 -0.71 -0.24 0.00 -0.37 0.00 0.00 57.07 55.76 2yuq s TYR 26 Cb 0.11 -0.50 0.06 0.00 -0.40 0.00 0.00 41.96 41.23 2yuq s TYR 26 CO 0.77 -0.09 1.33 0.16 -1.57 0.00 0.00 175.55 176.14 2yuq s ASP 27 N -2.41 6.40 0.36 2.29 -4.77 -1.26 -4.26 116.67 113.01 2yuq s ASP 27 Ca 0.03 -1.22 -0.25 0.00 -3.30 0.00 0.00 52.55 47.81 2yuq s ASP 27 Cb -0.02 -2.54 -0.09 0.00 -1.09 0.00 0.00 42.92 39.18 2yuq s ASP 27 CO -0.02 -1.54 1.01 -0.47 0.70 0.00 0.00 175.17 174.85 2yuq s TYR 28 N 4.84 3.46 -0.02 2.11 5.04 -0.67 -4.94 117.35 127.17 2yuq s TYR 28 Ca 0.40 1.70 0.06 0.00 -2.44 0.00 0.00 57.07 56.79 2yuq s TYR 28 Cb -0.04 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.21 2yuq s TYR 28 CO -0.02 -0.28 -0.20 -0.65 -1.34 0.00 0.00 175.55 173.07 2yuq s GLN 29 N -2.26 1.69 -0.29 4.97 -0.21 -1.26 -2.83 119.66 119.47 2yuq s GLN 29 Ca 0.54 -0.72 -0.08 0.00 0.02 0.00 0.00 55.36 55.13 2yuq s GLN 29 Cb -0.21 -1.60 0.14 0.00 1.00 0.00 0.00 33.01 32.34 2yuq s GLN 29 CO 0.27 0.41 0.62 -0.08 -2.12 0.00 0.00 175.29 174.38 2yuq s THR 30 N -0.40 -0.96 -0.32 -0.19 -1.32 -1.26 -4.94 115.64 106.23 2yuq s THR 30 Ca 0.06 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.54 2yuq s THR 30 Cb -0.08 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 70.13 2yuq s THR 30 CO -0.00 0.00 2.09 0.59 -2.21 0.00 0.00 174.62 175.09 2yuq n ASN 31 N 5.44 6.45 -4.41 8.08 4.13 -1.26 -4.52 115.26 129.16 2yuq n ASN 31 Ca -0.09 -3.06 -0.30 0.00 1.68 0.00 0.00 54.58 52.81 2yuq n ASN 31 Cb 0.49 -1.08 -0.13 0.00 -1.54 0.00 0.00 39.78 37.53 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2yuq s ASP 32 N 0.23 3.50 0.08 6.41 1.01 -1.26 -5.05 116.67 121.59 2yuq s ASP 32 Ca 0.33 -0.61 -0.17 0.00 0.71 0.00 0.00 52.55 52.82 2yuq s ASP 32 Cb 0.25 -0.38 -0.10 0.00 1.01 0.00 0.00 42.92 43.69 2yuq s ASP 32 CO -0.02 0.21 1.40 1.55 0.21 0.00 0.00 175.17 178.52 2yuq h PRO 33 N 4.20 0.59 -0.04 8.23 0.13 -1.99 -3.17 132.00 139.96 2yuq h PRO 33 Ca -0.49 -0.31 -0.12 0.00 -0.87 0.00 0.00 66.00 64.20 2yuq h PRO 33 Cb 1.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2yuq h PRO 33 CO 0.43 0.91 -0.55 -0.56 -0.23 0.00 0.00 178.00 178.01 2yuq h GLN 34 N 0.30 0.11 -6.81 0.86 3.07 -1.97 -3.45 115.11 107.22 2yuq h GLN 34 Ca 0.04 -0.06 -0.47 0.00 0.09 0.00 0.00 58.65 58.25 2yuq h GLN 34 Cb 0.80 0.01 0.03 0.00 0.08 0.00 0.00 27.48 28.40 2yuq h GLN 34 CO 0.06 0.62 -0.02 -1.21 0.09 0.00 0.00 178.83 178.38 2yuq s GLU 35 N -3.82 3.08 0.02 0.06 2.02 -1.20 -0.30 118.70 118.56 2yuq s GLU 35 Ca -0.03 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.68 2yuq s GLU 35 Cb 0.13 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 2yuq s GLU 35 CO 0.77 -0.35 -0.08 -1.17 0.02 0.00 0.00 175.26 174.45 2yuq s LEU 36 N -4.67 2.11 -0.61 1.80 2.96 -1.24 -4.62 118.68 114.41 2yuq s LEU 36 Ca 0.49 -0.30 -0.22 0.00 -0.22 0.00 0.00 54.13 53.88 2yuq s LEU 36 Cb -0.10 -0.30 0.07 0.00 0.50 0.00 0.00 46.19 46.35 2yuq s LEU 36 CO 0.40 -0.02 0.90 0.00 -1.32 0.00 0.00 176.35 176.31 2yuq s ALA 37 N -0.63 3.18 0.42 5.97 0.00 -1.26 -4.71 121.76 124.73 2yuq s ALA 37 Ca -0.02 -1.72 -0.25 0.00 0.00 0.00 0.00 51.96 49.96 2yuq s ALA 37 Cb -0.06 -3.74 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 2yuq s ALA 37 CO 0.00 -2.56 1.33 -0.51 0.00 0.00 0.00 175.76 174.02 2yuq s LEU 38 N 3.75 4.16 -0.12 0.00 1.43 -1.13 -4.85 118.68 121.93 2yuq s LEU 38 Ca 0.22 2.71 -0.08 0.00 -1.03 0.00 0.00 54.13 55.95 2yuq s LEU 38 Cb -0.17 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 2yuq s LEU 38 CO 0.12 -0.96 0.15 -0.60 0.23 0.00 0.00 176.35 175.29 2yuq s ARG 39 N -2.34 3.52 0.55 1.70 6.06 -1.26 -1.68 118.95 125.49 2yuq s ARG 39 Ca 0.59 -0.11 -0.21 0.00 -2.50 0.00 0.00 55.73 53.50 2yuq s ARG 39 Cb -0.39 -3.21 -0.05 0.00 0.06 0.00 0.00 34.95 31.36 2yuq s ARG 39 CO 0.50 0.74 1.28 0.50 -2.50 0.00 0.00 175.30 175.82 2yuq s ARG 40 N -0.93 3.19 -1.53 5.12 3.52 -1.26 -3.02 118.95 124.03 2yuq s ARG 40 Ca 0.15 2.04 -0.01 0.00 -0.13 0.00 0.00 55.73 57.78 2yuq s ARG 40 Cb -0.12 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 2yuq s ARG 40 CO 0.04 -1.09 0.13 0.27 -0.81 0.00 0.00 175.30 173.84 2yuq n ASN 41 N -1.10 0.50 -3.98 -2.12 0.23 -0.77 -4.94 115.26 103.08 2yuq n ASN 41 Ca 0.11 -1.21 -0.16 0.00 -0.53 0.00 0.00 54.58 52.79 2yuq n ASN 41 Cb 0.47 -1.97 -0.14 0.00 -2.08 0.00 0.00 39.78 36.06 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2yuq s GLU 42 N -7.17 0.51 0.71 -3.83 0.41 -1.17 -4.99 118.70 103.18 2yuq s GLU 42 Ca 0.04 -0.26 -0.11 0.00 -0.41 0.00 0.00 54.97 54.23 2yuq s GLU 42 Cb -0.02 -0.48 0.02 0.00 -1.78 0.00 0.00 34.13 31.86 2yuq s GLU 42 CO 0.97 0.13 1.08 -1.21 -0.49 0.00 0.00 175.26 175.74 2yuq s GLU 43 N -0.23 2.82 -0.26 1.61 2.02 -1.26 -2.52 118.70 120.88 2yuq s GLU 43 Ca 0.02 0.65 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 2yuq s GLU 43 Cb -0.03 -2.00 0.08 0.00 0.10 0.00 0.00 34.13 32.29 2yuq s GLU 43 CO -0.00 -1.11 0.62 0.71 0.02 0.00 0.00 175.26 175.51 2yuq s TYR 44 N -3.22 -1.02 -0.25 1.61 2.02 0.10 -4.65 117.35 111.94 2yuq s TYR 44 Ca 0.58 2.00 -0.28 0.00 -0.37 0.00 0.00 57.07 59.00 2yuq s TYR 44 Cb -0.12 0.59 0.01 0.00 -0.40 0.00 0.00 41.96 42.03 2yuq s TYR 44 CO 0.53 -0.52 0.99 0.00 -1.57 0.00 0.00 175.55 174.99 2yuq s LEU 46 N 3.20 4.33 -0.17 0.00 2.96 -0.91 0.22 118.68 128.31 2yuq s LEU 46 Ca 0.42 2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 56.33 2yuq s LEU 46 Cb -0.14 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 2yuq s LEU 46 CO 0.08 -0.70 -0.18 0.18 -1.32 0.00 0.00 176.35 174.41 2yuq n LEU 47 N 5.12 1.86 -3.91 -0.68 4.77 0.09 -4.84 117.00 119.41 2yuq n LEU 47 Ca 0.13 0.52 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 2yuq n LEU 47 Cb 0.44 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 2yuq n LEU 47 CO 0.58 -0.27 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.49 2yuq s ASP 48 N -6.02 0.09 -0.21 -1.43 -1.08 -1.01 -5.03 116.67 101.97 2yuq s ASP 48 Ca -0.21 -0.24 0.12 0.00 -0.52 0.00 0.00 52.55 51.70 2yuq s ASP 48 Cb 0.04 0.16 0.44 0.00 -1.46 0.00 0.00 42.92 42.10 2yuq s ASP 48 CO 0.33 -0.28 1.20 -1.54 0.52 0.00 0.00 175.17 175.40 2yuq n SER 49 N 1.82 2.56 -0.30 -0.34 3.41 -1.26 -2.02 113.62 117.50 2yuq n SER 49 Ca -0.21 -3.50 0.14 0.00 -0.26 0.00 0.00 58.87 55.04 2yuq n SER 49 Cb 0.56 -0.44 0.39 0.00 -0.26 0.00 0.00 64.21 64.46 2yuq n SER 49 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2yuq h SER 50 N 1.46 0.65 -0.76 4.04 0.87 -1.97 -3.42 113.55 114.41 2yuq h SER 50 Ca 0.07 0.06 -0.50 0.00 -1.23 0.00 0.00 61.79 60.19 2yuq h SER 50 Cb 1.29 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 63.20 2yuq h SER 50 CO 0.25 0.28 -0.12 -1.61 -0.53 0.00 0.00 176.83 175.10 2yuq s GLU 51 N -5.68 2.30 -0.03 2.24 0.41 -1.26 -5.09 118.70 111.58 2yuq s GLU 51 Ca -0.10 -1.68 -0.08 0.00 -0.41 0.00 0.00 54.97 52.70 2yuq s GLU 51 Cb 0.23 -2.59 -0.03 0.00 -1.78 0.00 0.00 34.13 29.96 2yuq s GLU 51 CO 0.79 -0.84 -0.16 -0.89 -0.49 0.00 0.00 175.26 173.67 2yuq n ILE 52 N -2.20 1.31 -0.08 -1.63 5.41 -1.26 -4.77 119.36 116.14 2yuq n ILE 52 Ca 0.14 0.28 -0.10 0.00 1.00 0.00 0.00 62.75 64.07 2yuq n ILE 52 Cb 0.62 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.59 2yuq n ILE 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2yuq h HIS 53 N -0.46 0.40 -3.62 1.39 3.86 -1.98 -3.40 115.15 111.33 2yuq h HIS 53 Ca 0.00 -0.03 -0.69 0.00 -1.16 0.00 0.00 60.37 58.48 2yuq h HIS 53 Cb 0.46 -0.12 -0.23 0.00 1.06 0.00 0.00 27.41 28.59 2yuq h HIS 53 CO -0.20 0.42 -0.52 -1.58 0.86 0.00 0.00 177.93 176.92 2yuq s TRP 54 N -5.49 3.22 -0.07 2.45 0.52 -1.26 -0.44 118.94 117.87 2yuq s TRP 54 Ca -0.13 -0.68 -0.02 0.00 0.02 0.00 0.00 56.10 55.28 2yuq s TRP 54 Cb 0.08 -2.43 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2yuq s TRP 54 CO 0.72 -0.53 0.04 -1.58 0.02 0.00 0.00 176.95 175.61 2yuq s TRP 55 N 1.61 3.24 -0.22 -1.98 0.52 0.50 -4.26 118.94 118.35 2yuq s TRP 55 Ca 0.04 0.23 -0.16 0.00 0.02 0.00 0.00 56.10 56.23 2yuq s TRP 55 Cb -0.18 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2yuq s TRP 55 CO 0.07 0.52 0.41 0.50 0.02 0.00 0.00 176.95 178.48 2yuq s ARG 56 N -1.12 4.13 0.25 4.98 3.52 -0.85 -2.59 118.95 127.27 2yuq s ARG 56 Ca 0.16 0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.97 2yuq s ARG 56 Cb -0.12 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 2yuq s ARG 56 CO 0.05 -0.12 0.18 0.14 -0.81 0.00 0.00 175.30 174.74 2yuq s VAL 57 N 1.57 0.01 -0.03 7.11 -7.23 -1.26 -0.73 120.40 119.84 2yuq s VAL 57 Ca 0.19 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2yuq s VAL 57 Cb -0.15 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2yuq s VAL 57 CO 0.08 0.00 -0.10 -1.58 -0.31 0.00 0.00 175.10 173.19 2yuq s GLN 58 N -3.90 1.11 0.88 4.82 0.74 0.13 -3.66 119.66 119.78 2yuq s GLN 58 Ca 0.40 -0.35 -0.13 0.00 0.05 0.00 0.00 55.36 55.33 2yuq s GLN 58 Cb 0.05 -1.02 0.12 0.00 1.10 0.00 0.00 33.01 33.27 2yuq s GLN 58 CO 0.18 0.12 1.19 0.34 -0.55 0.00 0.00 175.29 176.57 2yuq s ASP 59 N 0.22 3.86 0.31 6.67 2.15 0.71 -1.47 116.67 129.12 2yuq s ASP 59 Ca -0.04 0.73 0.11 0.00 0.43 0.00 0.00 52.55 53.78 2yuq s ASP 59 Cb -0.10 -1.16 0.51 0.00 -0.30 0.00 0.00 42.92 41.87 2yuq s ASP 59 CO 0.01 -2.31 1.71 0.08 -0.17 0.00 0.00 175.17 174.49 2yuq h ARG 60 N -1.33 0.03 -0.24 4.34 0.11 -1.89 -3.10 114.38 112.29 2yuq h ARG 60 Ca -0.47 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 59.45 2yuq h ARG 60 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2yuq h ARG 60 CO 0.59 0.52 -0.41 -0.91 0.10 0.00 0.00 179.97 179.86 2yuq h ASN 61 N 0.03 0.77 0.00 0.08 2.35 -1.99 -3.47 115.58 113.35 2yuq h ASN 61 Ca -0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2yuq h ASN 61 Cb 0.89 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2yuq h ASN 61 CO 0.07 1.16 0.00 0.61 -1.65 0.00 0.00 177.43 177.61 2yuq n GLY 62 N 0.36 0.64 3.83 2.83 0.00 -1.17 -5.16 105.19 106.52 2yuq n GLY 62 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2yuq n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yuq s HIS 63 N -0.64 2.78 0.21 1.61 3.76 -1.26 -4.89 115.29 116.85 2yuq s HIS 63 Ca 0.00 -0.41 -0.23 0.00 -0.15 0.00 0.00 55.06 54.27 2yuq s HIS 63 Cb 0.00 -1.92 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2yuq s HIS 63 CO 0.00 0.09 0.81 -1.83 -0.85 0.00 0.00 174.74 172.96 2yuq s GLU 64 N -4.01 1.49 0.00 1.40 4.04 -1.26 -0.21 118.70 120.15 2yuq s GLU 64 Ca 0.43 -0.80 0.00 0.00 0.04 0.00 0.00 54.97 54.64 2yuq s GLU 64 Cb -0.04 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.64 2yuq s GLU 64 CO 0.26 -0.68 0.00 0.41 -1.84 0.00 0.00 175.26 173.41 2yuq n GLY 65 N -0.45 1.72 3.63 -3.83 0.00 -1.24 -4.45 105.19 100.57 2yuq n GLY 65 Ca -0.06 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 2yuq n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yuq s TYR 66 N -2.00 2.72 0.14 1.61 2.02 0.59 -4.08 117.35 118.35 2yuq s TYR 66 Ca 0.00 0.89 0.08 0.00 -0.37 0.00 0.00 57.07 57.67 2yuq s TYR 66 Cb 0.00 -3.87 -0.04 0.00 -0.40 0.00 0.00 41.96 37.65 2yuq s TYR 66 CO 0.00 -1.67 -0.18 0.14 -1.57 0.00 0.00 175.55 172.28 2yuq s VAL 67 N 4.28 1.67 -0.28 0.71 -7.23 -1.07 -3.66 120.40 114.82 2yuq s VAL 67 Ca 0.56 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.66 2yuq s VAL 67 Cb -0.17 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 2yuq s VAL 67 CO 0.22 -0.28 1.65 -2.16 -0.31 0.00 0.00 175.10 174.22 2yuq s PRO 68 N -2.56 3.60 0.62 4.82 0.04 -1.26 -0.37 135.00 139.90 2yuq s PRO 68 Ca 0.12 1.49 0.25 0.00 0.04 0.00 0.00 61.00 62.89 2yuq s PRO 68 Cb -0.07 -4.09 1.19 0.00 0.04 0.00 0.00 34.50 31.57 2yuq s PRO 68 CO 0.05 -1.53 1.64 0.66 0.04 0.00 0.00 177.00 177.87 2yuq h SER 69 N 11.48 0.00 -0.75 6.66 4.64 -0.97 0.14 113.55 134.76 2yuq h SER 69 Ca -0.33 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.07 2yuq h SER 69 Cb 1.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 2yuq h SER 69 CO 1.02 0.00 0.42 0.28 -0.87 0.00 0.00 176.83 177.68 2yuq h SER 70 N 0.00 0.59 -0.28 4.97 0.02 -1.89 -2.26 113.55 114.70 2yuq h SER 70 Ca 0.20 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2yuq h SER 70 Cb 1.57 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 2yuq h SER 70 CO -0.00 0.36 -0.19 1.88 -1.14 0.00 0.00 176.83 177.73 2yuq h TYR 71 N 0.72 0.73 -4.07 3.45 -1.99 -1.07 -3.45 116.97 111.30 2yuq h TYR 71 Ca 0.35 -0.20 -0.51 0.00 2.00 0.00 0.00 58.73 60.37 2yuq h TYR 71 Cb 0.30 -0.16 0.09 0.00 2.00 0.00 0.00 36.73 38.95 2yuq h TYR 71 CO -0.08 0.89 0.47 -0.51 -0.00 0.00 0.00 178.16 178.93 2yuq s LEU 72 N -9.11 3.78 -0.12 3.88 1.43 -0.85 -0.94 118.68 116.74 2yuq s LEU 72 Ca -0.13 2.31 -0.09 0.00 -1.03 0.00 0.00 54.13 55.19 2yuq s LEU 72 Cb 0.08 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.84 2yuq s LEU 72 CO 0.80 -1.31 0.31 0.68 0.23 0.00 0.00 176.35 177.06 2yuq s VAL 73 N -1.64 -0.02 -0.05 -1.59 -7.23 0.53 -4.84 120.40 105.56 2yuq s VAL 73 Ca 0.73 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.66 2yuq s VAL 73 Cb -0.28 -0.45 -0.06 0.00 0.56 0.00 0.00 36.38 36.15 2yuq s VAL 73 CO 0.32 0.03 1.76 -0.70 -0.31 0.00 0.00 175.10 176.19 2yuq s GLU 74 N 0.74 4.10 -0.45 4.82 2.12 -1.26 -1.04 118.70 127.72 2yuq s GLU 74 Ca -0.05 2.26 -0.44 0.00 0.36 0.00 0.00 54.97 57.11 2yuq s GLU 74 Cb -0.06 -4.05 -0.18 0.00 0.26 0.00 0.00 34.13 30.10 2yuq s GLU 74 CO -0.05 -0.96 1.88 1.17 -0.54 0.00 0.00 175.26 176.76 2yuq n LYS 75 N 7.35 0.28 -3.86 4.30 3.00 -1.15 -4.88 118.16 123.20 2yuq n LYS 75 Ca 0.19 0.09 -0.30 0.00 -0.00 0.00 0.00 58.31 58.29 2yuq n LYS 75 Cb 0.43 -1.68 -0.11 0.00 0.00 0.00 0.00 35.03 33.66 2yuq n LYS 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2yuq s SER 76 N 4.61 4.93 0.25 3.14 0.01 -1.26 -4.92 113.70 120.46 2yuq s SER 76 Ca 1.10 -3.59 0.02 0.00 1.31 0.00 0.00 55.95 54.79 2yuq s SER 76 Cb -1.37 -1.70 0.29 0.00 0.21 0.00 0.00 66.02 63.45 2yuq s SER 76 CO 0.71 -0.15 1.62 1.55 0.41 0.00 0.00 173.24 177.37 2yuq h PRO 77 N 5.83 0.41 -0.99 12.44 0.13 -2.04 -3.28 132.00 144.50 2yuq h PRO 77 Ca 0.09 -0.22 0.14 0.00 -0.87 0.00 0.00 66.00 65.14 2yuq h PRO 77 Cb 0.80 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.79 2yuq h PRO 77 CO 0.73 0.78 -0.44 -1.71 -0.23 0.00 0.00 178.00 177.13 2yuq n ASN 78 N -4.00 -0.75 -3.55 1.44 2.85 -1.26 -4.77 115.26 105.23 2yuq n ASN 78 Ca -0.02 1.74 -0.08 0.00 -0.11 0.00 0.00 54.58 56.11 2yuq n ASN 78 Cb 0.52 -0.35 -0.02 0.00 1.24 0.00 0.00 39.78 41.17 2yuq n ASN 78 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2yuq s ASN 79 N -5.39 -0.36 0.04 1.20 2.47 -1.24 -5.15 114.94 106.51 2yuq s ASN 79 Ca -0.13 -0.10 -0.30 0.00 0.42 0.00 0.00 52.86 52.75 2yuq s ASN 79 Cb 0.18 0.46 -0.04 0.00 -1.45 0.00 0.00 41.25 40.39 2yuq s ASN 79 CO 0.68 -0.77 1.04 -0.76 -3.72 0.00 0.00 177.10 173.58 2yuq s LEU 80 N -2.64 4.39 -0.30 3.21 1.02 -1.26 -4.86 118.68 118.24 2yuq s LEU 80 Ca 0.06 1.79 -0.02 0.00 0.02 0.00 0.00 54.13 55.98 2yuq s LEU 80 Cb -0.01 -3.58 0.09 0.00 0.02 0.00 0.00 46.19 42.71 2yuq s LEU 80 CO -0.07 -0.29 2.44 -0.62 0.02 0.00 0.00 176.35 177.84 2yuq n GLU 81 N 3.68 1.96 -2.22 1.70 1.02 -1.26 -4.95 120.64 120.56 2yuq n GLU 81 Ca 0.06 -1.64 -0.33 0.00 -0.02 0.00 0.00 57.16 55.24 2yuq n GLU 81 Cb 0.49 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 2yuq n GLU 81 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2yuq s THR 82 N -1.73 4.11 1.24 2.62 2.01 -1.26 -5.05 115.64 117.58 2yuq s THR 82 Ca 0.42 1.02 -0.19 0.00 0.31 0.00 0.00 61.69 63.25 2yuq s THR 82 Cb 0.28 -3.53 0.30 0.00 0.01 0.00 0.00 72.50 69.56 2yuq s THR 82 CO -0.08 -0.57 1.05 -0.47 -0.69 0.00 0.00 174.62 173.87 2yuq s TYR 83 N -2.50 0.45 -0.23 4.92 5.04 -1.26 -5.06 117.35 118.71 2yuq s TYR 83 Ca 0.62 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.85 2yuq s TYR 83 Cb -0.13 -3.25 0.11 0.00 0.35 0.00 0.00 41.96 39.04 2yuq s TYR 83 CO 0.34 -4.08 0.26 -1.83 -1.34 0.00 0.00 175.55 168.89 2yuq s GLU 84 N -5.17 0.24 0.00 4.97 -1.05 -1.26 -5.24 118.70 111.19 2yuq s GLU 84 Ca 0.69 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.70 2yuq s GLU 84 Cb -0.13 -0.98 0.00 0.00 -0.44 0.00 0.00 34.13 32.58 2yuq s GLU 84 CO 0.58 -0.73 0.00 1.87 0.95 0.00 0.00 175.26 177.93