#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 4.74 -0.23 1.61 0.01 -1.26 -5.06 113.70 113.51 2yuq s SER 2 Ca 0.00 -1.28 -0.04 0.00 1.31 0.00 0.00 55.95 55.94 2yuq s SER 2 Cb 0.00 -1.67 0.12 0.00 0.21 0.00 0.00 66.02 64.69 2yuq s SER 2 CO 0.00 -0.23 0.42 -0.44 0.41 0.00 0.00 173.24 173.40 2yuq s SER 3 N 1.22 -0.13 -0.23 2.44 0.01 -1.26 -5.13 113.70 110.61 2yuq s SER 3 Ca -0.06 0.60 -0.26 0.00 1.31 0.00 0.00 55.95 57.54 2yuq s SER 3 Cb -0.20 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.37 2yuq s SER 3 CO -0.02 -0.27 0.91 -0.83 0.41 0.00 0.00 173.24 173.44 2yuq s GLY 4 N 2.61 1.75 -0.30 3.44 0.00 -1.26 -4.92 107.32 108.64 2yuq s GLY 4 Ca 0.08 -0.00 0.13 0.00 0.00 0.00 0.00 44.72 44.93 2yuq s GLY 4 CO -0.15 1.95 1.13 1.44 0.00 0.00 0.00 173.10 177.47 2yuq n SER 5 N 6.10 3.42 -4.60 1.64 7.64 -1.26 -5.05 113.62 121.51 2yuq n SER 5 Ca 0.08 -3.06 -0.38 0.00 1.01 0.00 0.00 58.87 56.52 2yuq n SER 5 Cb 0.47 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 2yuq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuq s SER 6 N -3.62 6.08 0.00 6.43 0.01 -1.26 -4.83 113.70 116.52 2yuq s SER 6 Ca 0.40 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2yuq s SER 6 Cb 0.38 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2yuq s SER 6 CO -0.02 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2yuq n GLY 7 N 4.87 -0.81 3.02 3.44 0.00 -1.26 -5.14 105.19 109.30 2yuq n GLY 7 Ca -0.13 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2yuq n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuq s GLU 8 N 0.00 1.94 -0.29 1.61 0.41 -1.26 -5.07 118.70 116.04 2yuq s GLU 8 Ca 0.00 -1.26 -0.16 0.00 -0.41 0.00 0.00 54.97 53.14 2yuq s GLU 8 Cb 0.00 -2.80 0.17 0.00 -1.78 0.00 0.00 34.13 29.72 2yuq s GLU 8 CO 0.00 -0.62 1.07 -0.51 -0.49 0.00 0.00 175.26 174.71 2yuq s ASP 9 N 1.19 -0.38 -0.26 -0.19 1.01 -1.26 -5.14 116.67 111.65 2yuq s ASP 9 Ca -0.06 0.59 -0.23 0.00 0.71 0.00 0.00 52.55 53.55 2yuq s ASP 9 Cb -0.19 1.24 -0.01 0.00 1.01 0.00 0.00 42.92 44.96 2yuq s ASP 9 CO -0.06 -0.09 0.78 0.21 0.21 0.00 0.00 175.17 176.22 2yuq s ASN 10 N 1.51 6.74 0.52 0.27 2.47 -1.26 -5.05 114.94 120.15 2yuq s ASN 10 Ca -0.07 0.89 0.00 0.00 0.42 0.00 0.00 52.86 54.10 2yuq s ASN 10 Cb -0.04 -2.41 0.02 0.00 -1.45 0.00 0.00 41.25 37.37 2yuq s ASN 10 CO -0.14 -0.51 0.75 -0.13 -3.72 0.00 0.00 177.10 173.35 2yuq s ARG 11 N 2.80 2.74 0.17 0.43 1.81 -1.26 -5.12 118.95 120.52 2yuq s ARG 11 Ca 0.33 -0.61 0.11 0.00 -1.72 0.00 0.00 55.73 53.83 2yuq s ARG 11 Cb -0.15 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 2yuq s ARG 11 CO 0.09 -0.57 -0.22 1.03 -0.68 0.00 0.00 175.30 174.95 2yuq s ARG 12 N -4.72 1.58 0.73 3.54 3.00 -1.26 -5.13 118.95 116.70 2yuq s ARG 12 Ca 0.54 -1.41 -0.12 0.00 0.00 0.00 0.00 55.73 54.74 2yuq s ARG 12 Cb -0.10 -1.93 0.04 0.00 0.00 0.00 0.00 34.95 32.95 2yuq s ARG 12 CO 0.39 0.43 1.10 -1.25 0.00 0.00 0.00 175.30 175.96 2yuq s PRO 13 N -2.46 2.44 -0.13 3.54 0.04 -1.26 -5.01 135.00 132.16 2yuq s PRO 13 Ca 0.19 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 2yuq s PRO 13 Cb -0.09 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2yuq s PRO 13 CO 0.09 -1.51 0.11 -0.07 0.04 0.00 0.00 177.00 175.67 2yuq h LEU 14 N -0.73 0.00-10.63 -3.56 3.38 -2.07 -3.48 115.31 98.23 2yuq h LEU 14 Ca -0.45 -0.22 -0.48 0.00 0.09 0.00 0.00 57.88 56.82 2yuq h LEU 14 Cb 1.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.02 2yuq h LEU 14 CO 0.52 0.74 -0.11 0.26 0.09 0.00 0.00 178.44 179.95 2yuq s TRP 15 N -1.91 1.57 0.16 1.13 0.52 -1.26 -5.13 118.94 114.02 2yuq s TRP 15 Ca -0.10 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.41 2yuq s TRP 15 Cb 0.01 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2yuq s TRP 15 CO 0.23 -1.10 0.13 -1.21 0.02 0.00 0.00 176.95 175.01 2yuq s GLU 16 N -4.65 2.87 0.55 4.98 2.02 -1.26 -5.01 118.70 118.19 2yuq s GLU 16 Ca 0.61 -0.88 0.34 0.00 0.02 0.00 0.00 54.97 55.06 2yuq s GLU 16 Cb -0.06 -2.63 1.40 0.00 0.10 0.00 0.00 34.13 32.94 2yuq s GLU 16 CO 0.39 0.48 2.00 -1.00 0.02 0.00 0.00 175.26 177.15 2yuq h PRO 17 N 2.45 0.00 0.17 0.39 0.13 -2.02 -3.10 132.00 130.01 2yuq h PRO 17 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 2yuq h PRO 17 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2yuq h PRO 17 CO 0.63 0.01 -1.05 0.93 -0.23 0.00 0.00 178.00 178.30 2yuq h GLU 18 N 0.00 0.35 -6.61 0.86 5.08 -2.05 -3.45 114.58 108.76 2yuq h GLU 18 Ca -0.00 -0.60 -0.52 0.00 -1.00 0.00 0.00 59.36 57.24 2yuq h GLU 18 Cb 0.50 0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2yuq h GLU 18 CO 0.00 1.29 0.52 -1.21 -1.00 0.00 0.00 179.01 178.61 2yuq s GLU 19 N -2.47 4.52 -0.14 2.33 0.41 -1.17 -4.95 118.70 117.22 2yuq s GLU 19 Ca -0.13 1.78 -0.29 0.00 -0.41 0.00 0.00 54.97 55.92 2yuq s GLU 19 Cb 0.02 -3.28 -0.05 0.00 -1.78 0.00 0.00 34.13 29.03 2yuq s GLU 19 CO 0.85 -0.07 1.92 0.99 -0.49 0.00 0.00 175.26 178.47 2yuq s THR 20 N 0.17 3.26 -0.15 3.63 2.01 -1.26 -4.70 115.64 118.59 2yuq s THR 20 Ca 0.53 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.83 2yuq s THR 20 Cb -0.30 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2yuq s THR 20 CO 0.34 -0.11 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.29 2yuq s VAL 21 N 5.95 2.37 0.37 3.82 1.01 -1.26 -3.41 120.40 129.25 2yuq s VAL 21 Ca 0.86 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2yuq s VAL 21 Cb -0.33 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 2yuq s VAL 21 CO 0.35 0.53 0.06 0.68 0.00 0.00 0.00 175.10 176.72 2yuq s VAL 22 N 0.85 2.50 0.03 2.92 -7.23 -0.75 -2.22 120.40 116.50 2yuq s VAL 22 Ca -0.05 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2yuq s VAL 22 Cb -0.15 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2yuq s VAL 22 CO -0.02 -0.12 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.91 2yuq s ILE 23 N -2.56 0.85 -0.44 -0.62 1.09 -0.72 -0.28 121.20 118.53 2yuq s ILE 23 Ca 0.37 -0.89 -0.21 0.00 -1.10 0.00 0.00 60.65 58.82 2yuq s ILE 23 Cb 0.02 -0.80 0.03 0.00 -1.06 0.00 0.00 42.46 40.65 2yuq s ILE 23 CO 0.20 -0.07 0.66 0.00 -0.10 0.00 0.00 174.94 175.63 2yuq s ALA 24 N -0.86 3.34 0.26 9.38 0.00 -0.79 -1.10 121.76 131.99 2yuq s ALA 24 Ca -0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 2yuq s ALA 24 Cb -0.07 -3.33 0.45 0.00 0.00 0.00 0.00 23.12 20.17 2yuq s ALA 24 CO 0.01 -1.82 1.83 -0.07 0.00 0.00 0.00 175.76 175.70 2yuq h LEU 25 N 9.76 0.81 -8.95 0.00 3.38 -1.47 -2.24 115.31 116.59 2yuq h LEU 25 Ca -0.25 0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.29 2yuq h LEU 25 Cb 1.09 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 2yuq h LEU 25 CO 0.91 0.46 -0.73 -0.31 0.09 0.00 0.00 178.44 178.86 2yuq s TYR 26 N -6.01 1.79 -0.66 1.13 2.02 -1.26 -4.50 117.35 109.86 2yuq s TYR 26 Ca -0.12 -0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 55.74 2yuq s TYR 26 Cb 0.20 -0.85 0.03 0.00 -0.40 0.00 0.00 41.96 40.95 2yuq s TYR 26 CO 0.80 0.38 1.20 0.34 -1.57 0.00 0.00 175.55 176.70 2yuq s ASP 27 N -3.35 6.28 0.12 2.29 -1.08 -1.26 -4.05 116.67 115.63 2yuq s ASP 27 Ca 0.24 -0.27 -0.19 0.00 -0.52 0.00 0.00 52.55 51.82 2yuq s ASP 27 Cb -0.01 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 38.84 2yuq s ASP 27 CO 0.08 -1.63 0.61 -0.47 0.52 0.00 0.00 175.17 174.28 2yuq s TYR 28 N 5.20 3.74 0.08 -5.34 5.04 0.15 -4.85 117.35 121.37 2yuq s TYR 28 Ca 0.37 1.27 0.04 0.00 -2.44 0.00 0.00 57.07 56.31 2yuq s TYR 28 Cb -0.09 -2.51 -0.03 0.00 0.35 0.00 0.00 41.96 39.68 2yuq s TYR 28 CO 0.19 0.50 -0.12 1.14 -1.34 0.00 0.00 175.55 175.92 2yuq s GLN 29 N -1.47 0.80 -0.27 4.97 1.03 -1.26 -0.64 119.66 122.81 2yuq s GLN 29 Ca 0.34 -1.03 -0.26 0.00 0.04 0.00 0.00 55.36 54.46 2yuq s GLN 29 Cb -0.18 -0.64 0.14 0.00 0.03 0.00 0.00 33.01 32.35 2yuq s GLN 29 CO 0.20 0.12 1.10 -0.08 -2.54 0.00 0.00 175.29 174.10 2yuq s THR 30 N -1.80 0.00 -0.38 3.63 -1.32 -1.26 -4.89 115.64 109.61 2yuq s THR 30 Ca 0.01 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2yuq s THR 30 Cb -0.07 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.41 2yuq s THR 30 CO 0.01 0.00 1.51 -3.20 -2.21 0.00 0.00 174.62 170.74 2yuq n ASN 31 N 1.91 4.46 -4.81 8.08 2.85 -1.26 -4.59 115.26 121.90 2yuq n ASN 31 Ca -0.12 -3.78 -0.32 0.00 -0.11 0.00 0.00 54.58 50.26 2yuq n ASN 31 Cb 0.56 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.90 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2yuq s ASP 32 N -2.71 5.78 0.45 1.20 1.11 -1.26 -5.01 116.67 116.23 2yuq s ASP 32 Ca 0.52 0.13 0.24 0.00 0.18 0.00 0.00 52.55 53.62 2yuq s ASP 32 Cb 0.43 -1.66 1.01 0.00 1.07 0.00 0.00 42.92 43.77 2yuq s ASP 32 CO 0.01 0.23 1.87 1.55 1.18 0.00 0.00 175.17 180.01 2yuq h PRO 33 N 3.71 0.00 -0.75 8.23 0.13 -2.02 -2.97 132.00 138.33 2yuq h PRO 33 Ca -0.48 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 2yuq h PRO 33 Cb 1.17 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.04 2yuq h PRO 33 CO 0.66 0.23 0.21 0.00 -0.23 0.00 0.00 178.00 178.87 2yuq n GLN 34 N -3.50 2.50 -4.03 0.86 0.00 -1.26 -4.98 117.38 106.97 2yuq n GLN 34 Ca -0.01 -3.37 -0.09 0.00 0.00 0.00 0.00 57.00 53.53 2yuq n GLN 34 Cb 0.39 -2.12 -0.06 0.00 0.00 0.00 0.00 30.24 28.46 2yuq n GLN 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2yuq s GLU 35 N -3.50 1.49 0.03 2.61 2.02 -1.12 -3.82 118.70 116.41 2yuq s GLU 35 Ca 0.54 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2yuq s GLU 35 Cb 0.45 0.44 -0.02 0.00 0.10 0.00 0.00 34.13 35.10 2yuq s GLU 35 CO 0.03 -0.60 -0.05 -1.17 0.02 0.00 0.00 175.26 173.49 2yuq s LEU 36 N -3.04 2.29 -0.39 1.80 2.96 -1.21 -4.54 118.68 116.54 2yuq s LEU 36 Ca 0.25 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2yuq s LEU 36 Cb 0.01 0.03 0.03 0.00 0.50 0.00 0.00 46.19 46.76 2yuq s LEU 36 CO 0.09 -0.32 0.25 0.00 -1.32 0.00 0.00 176.35 175.05 2yuq s ALA 37 N -1.84 3.35 0.59 5.97 0.00 -1.26 -4.59 121.76 123.99 2yuq s ALA 37 Ca -0.10 -1.77 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 2yuq s ALA 37 Cb -0.07 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 2yuq s ALA 37 CO -0.02 -1.45 1.02 -0.51 0.00 0.00 0.00 175.76 174.80 2yuq s LEU 38 N 1.59 3.36 -0.02 0.00 1.43 0.18 -4.87 118.68 120.35 2yuq s LEU 38 Ca 0.03 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2yuq s LEU 38 Cb -0.20 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 2yuq s LEU 38 CO 0.07 -0.87 -0.09 -0.60 0.23 0.00 0.00 176.35 175.10 2yuq s ARG 39 N -4.73 2.55 0.08 1.70 3.52 -1.26 -0.68 118.95 120.14 2yuq s ARG 39 Ca 0.57 -0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 55.17 2yuq s ARG 39 Cb -0.11 -2.48 -0.08 0.00 -1.56 0.00 0.00 34.95 30.72 2yuq s ARG 39 CO 0.46 0.62 1.50 0.50 -0.81 0.00 0.00 175.30 177.56 2yuq s ARG 40 N -1.18 4.26 -0.62 5.12 3.52 -1.26 -2.63 118.95 126.16 2yuq s ARG 40 Ca 0.15 2.18 -0.03 0.00 -0.13 0.00 0.00 55.73 57.89 2yuq s ARG 40 Cb -0.11 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2yuq s ARG 40 CO 0.05 -0.59 0.43 0.09 -0.81 0.00 0.00 175.30 174.47 2yuq n ASN 41 N 4.78 -3.78 -4.10 -2.12 3.02 -0.84 -4.91 115.26 107.31 2yuq n ASN 41 Ca 0.14 -0.20 -0.23 0.00 -0.03 0.00 0.00 54.58 54.26 2yuq n ASN 41 Cb 0.41 -2.45 -0.15 0.00 -0.61 0.00 0.00 39.78 36.98 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2yuq s GLU 42 N -5.39 1.26 0.30 3.52 0.41 -1.08 -4.98 118.70 112.74 2yuq s GLU 42 Ca 0.21 -0.51 -0.08 0.00 -0.41 0.00 0.00 54.97 54.19 2yuq s GLU 42 Cb -0.09 -1.18 -0.06 0.00 -1.78 0.00 0.00 34.13 31.01 2yuq s GLU 42 CO 0.26 0.28 0.60 -1.21 -0.49 0.00 0.00 175.26 174.70 2yuq s GLU 43 N -0.20 3.72 0.12 1.61 8.01 -1.26 -1.88 118.70 128.82 2yuq s GLU 43 Ca 0.03 0.20 -0.05 0.00 0.01 0.00 0.00 54.97 55.16 2yuq s GLU 43 Cb -0.07 -2.58 -0.02 0.00 -4.31 0.00 0.00 34.13 27.14 2yuq s GLU 43 CO 0.00 0.18 0.13 0.71 0.01 0.00 0.00 175.26 176.30 2yuq s TYR 44 N -2.07 0.54 -0.30 1.61 1.51 0.62 -4.62 117.35 114.64 2yuq s TYR 44 Ca 0.47 -0.95 -0.09 0.00 -1.01 0.00 0.00 57.07 55.49 2yuq s TYR 44 Cb -0.11 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.47 2yuq s TYR 44 CO 0.27 -0.56 0.13 0.00 -1.11 0.00 0.00 175.55 174.28 2yuq s LEU 46 N 1.59 3.44 -0.02 0.00 2.96 -1.22 -1.67 118.68 123.77 2yuq s LEU 46 Ca 0.04 1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.92 2yuq s LEU 46 Cb -0.17 -3.21 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 2yuq s LEU 46 CO 0.05 -1.97 0.71 -0.07 -1.32 0.00 0.00 176.35 173.75 2yuq h LEU 47 N 14.87 -0.44 -7.68 -0.68 3.38 0.34 -3.48 115.31 121.62 2yuq h LEU 47 Ca -0.32 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 2yuq h LEU 47 Cb 1.18 0.11 -0.22 0.00 0.09 0.00 0.00 40.66 41.83 2yuq h LEU 47 CO 1.08 -0.12 -0.47 -0.62 0.09 0.00 0.00 178.44 178.40 2yuq s ASP 48 N -4.21 -0.04 -0.32 -0.43 2.15 -1.08 -5.02 116.67 107.72 2yuq s ASP 48 Ca -0.08 -0.05 0.08 0.00 0.43 0.00 0.00 52.55 52.93 2yuq s ASP 48 Cb 0.01 0.26 0.51 0.00 -0.30 0.00 0.00 42.92 43.39 2yuq s ASP 48 CO 0.23 -0.31 1.49 -1.54 -0.17 0.00 0.00 175.17 174.86 2yuq n SER 49 N 1.77 2.94 -0.33 -0.34 3.41 -1.26 -1.60 113.62 118.21 2yuq n SER 49 Ca -0.20 -3.79 0.13 0.00 -0.26 0.00 0.00 58.87 54.74 2yuq n SER 49 Cb 0.56 -0.64 0.26 0.00 -0.26 0.00 0.00 64.21 64.13 2yuq n SER 49 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yuq n SER 50 N -1.09 -0.14 -4.72 4.04 2.88 -1.26 -4.49 113.62 108.84 2yuq n SER 50 Ca 0.37 1.61 -0.21 0.00 -1.33 0.00 0.00 58.87 59.31 2yuq n SER 50 Cb 1.03 -0.57 0.04 0.00 -0.75 0.00 0.00 64.21 63.96 2yuq n SER 50 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yuq n GLU 51 N -5.42 0.67 -0.05 -1.46 -0.58 -1.25 -5.09 120.64 107.46 2yuq n GLU 51 Ca 0.21 -3.07 -0.09 0.00 -0.42 0.00 0.00 57.16 53.79 2yuq n GLU 51 Cb 0.69 0.03 -0.03 0.00 -0.57 0.00 0.00 31.44 31.56 2yuq n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2yuq n ILE 52 N -1.97 1.21 0.21 -3.67 5.41 -1.26 -4.64 119.36 114.64 2yuq n ILE 52 Ca 0.08 0.08 0.06 0.00 1.00 0.00 0.00 62.75 63.97 2yuq n ILE 52 Cb 0.58 -1.92 0.47 0.00 -0.71 0.00 0.00 39.64 38.06 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 -0.57 0.00 -3.19 1.39 3.86 -1.97 -3.41 115.15 111.25 2yuq h HIS 53 Ca -0.15 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.42 2yuq h HIS 53 Cb 0.85 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.98 2yuq h HIS 53 CO -0.18 0.27 -0.86 -1.58 0.86 0.00 0.00 177.93 176.45 2yuq s TRP 54 N -4.23 2.47 0.10 2.45 0.52 -1.26 -2.78 118.94 116.20 2yuq s TRP 54 Ca -0.03 -1.27 0.09 0.00 0.02 0.00 0.00 56.10 54.91 2yuq s TRP 54 Cb 0.14 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2yuq s TRP 54 CO 0.68 -0.61 -0.21 -1.58 0.02 0.00 0.00 176.95 175.26 2yuq s TRP 55 N 0.98 2.47 -0.22 -1.98 0.51 -0.51 -3.89 118.94 116.31 2yuq s TRP 55 Ca -0.04 -0.30 -0.12 0.00 -2.12 0.00 0.00 56.10 53.52 2yuq s TRP 55 Cb -0.15 -1.36 -0.05 0.00 -0.81 0.00 0.00 33.47 31.11 2yuq s TRP 55 CO -0.04 0.32 0.23 0.50 -0.51 0.00 0.00 176.95 177.46 2yuq s ARG 56 N -1.89 4.14 0.28 4.98 3.52 -0.63 -1.93 118.95 127.43 2yuq s ARG 56 Ca 0.16 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2yuq s ARG 56 Cb -0.10 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2yuq s ARG 56 CO 0.07 0.09 0.13 0.14 -0.81 0.00 0.00 175.30 174.92 2yuq s VAL 57 N 0.97 0.40 -0.21 7.11 -7.23 -1.20 1.00 120.40 121.24 2yuq s VAL 57 Ca 0.12 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2yuq s VAL 57 Cb -0.13 -2.56 0.07 0.00 0.56 0.00 0.00 36.38 34.31 2yuq s VAL 57 CO 0.04 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.31 2yuq s GLN 58 N -3.92 0.56 1.07 4.82 0.74 -0.67 -3.25 119.66 119.01 2yuq s GLN 58 Ca 0.36 -0.44 -0.21 0.00 0.05 0.00 0.00 55.36 55.12 2yuq s GLN 58 Cb 0.06 -2.02 -0.01 0.00 1.10 0.00 0.00 33.01 32.14 2yuq s GLN 58 CO 0.16 -0.69 -0.54 -3.47 -0.55 0.00 0.00 175.29 170.19 2yuq n ASP 59 N 5.07 -2.72 0.01 6.67 2.03 0.71 -3.56 116.55 124.76 2yuq n ASP 59 Ca -0.08 -0.05 -0.01 0.00 0.52 0.00 0.00 54.79 55.17 2yuq n ASP 59 Cb 0.47 -0.81 0.26 0.00 -0.72 0.00 0.00 41.12 40.32 2yuq n ASP 59 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2yuq h ARG 60 N -1.64 0.49 0.00 -0.67 0.11 -1.90 -3.14 114.38 107.63 2yuq h ARG 60 Ca -0.48 -0.14 -0.00 0.00 0.10 0.00 0.00 59.98 59.46 2yuq h ARG 60 Cb 1.37 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2yuq h ARG 60 CO 0.32 0.61 -0.00 -0.91 0.10 0.00 0.00 179.97 180.08 2yuq h ASN 61 N 0.45 -0.00 0.00 0.08 4.21 -1.99 -3.47 115.58 114.85 2yuq h ASN 61 Ca 0.08 -0.65 0.00 0.00 1.21 0.00 0.00 56.30 56.94 2yuq h ASN 61 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2yuq h ASN 61 CO 0.03 0.65 0.00 0.61 -1.29 0.00 0.00 177.43 177.43 2yuq n GLY 62 N 0.69 0.00 3.34 2.83 0.00 -1.18 -5.15 105.19 105.72 2yuq n GLY 62 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.97 0.40 1.61 3.76 -1.26 -4.88 115.29 117.89 2yuq s HIS 63 Ca 0.00 -0.84 0.08 0.00 -0.15 0.00 0.00 55.06 54.15 2yuq s HIS 63 Cb 0.00 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 2yuq s HIS 63 CO 0.00 -0.49 0.31 -1.21 -0.85 0.00 0.00 174.74 172.50 2yuq s GLU 64 N 1.40 2.48 0.00 1.40 2.02 -1.26 -0.21 118.70 124.53 2yuq s GLU 64 Ca 0.05 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.46 2yuq s GLU 64 Cb -0.14 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2yuq s GLU 64 CO -0.02 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2yuq n GLY 65 N -1.43 -2.27 3.61 -1.39 0.00 -1.20 -4.61 105.19 97.89 2yuq n GLY 65 Ca 0.01 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.43 3.25 0.12 1.61 2.02 -1.25 -3.27 117.35 117.39 2yuq s TYR 66 Ca 0.00 0.09 0.07 0.00 -0.37 0.00 0.00 57.07 56.86 2yuq s TYR 66 Cb 0.00 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 2yuq s TYR 66 CO 0.00 -0.06 -0.16 0.14 -1.57 0.00 0.00 175.55 173.90 2yuq s VAL 67 N 1.33 1.46 -0.29 0.71 -7.23 -0.81 -3.34 120.40 112.23 2yuq s VAL 67 Ca 0.07 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 2yuq s VAL 67 Cb -0.15 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2yuq s VAL 67 CO 0.06 -0.33 1.66 -2.16 -0.31 0.00 0.00 175.10 174.03 2yuq s PRO 68 N -2.51 3.57 0.46 4.82 0.04 -1.26 -1.42 135.00 138.70 2yuq s PRO 68 Ca 0.09 1.47 0.31 0.00 0.04 0.00 0.00 61.00 62.90 2yuq s PRO 68 Cb -0.06 -4.10 1.40 0.00 0.04 0.00 0.00 34.50 31.78 2yuq s PRO 68 CO 0.04 -1.57 1.69 0.66 0.04 0.00 0.00 177.00 177.86 2yuq h SER 69 N 11.62 0.22 -1.00 6.66 4.64 -1.75 0.27 113.55 134.21 2yuq h SER 69 Ca -0.33 0.08 0.30 0.00 -0.47 0.00 0.00 61.79 61.37 2yuq h SER 69 Cb 1.15 0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 2yuq h SER 69 CO 1.02 -0.06 0.56 0.28 -0.87 0.00 0.00 176.83 177.77 2yuq h SER 70 N 0.14 0.52 -0.11 4.97 0.02 -1.89 0.21 113.55 117.42 2yuq h SER 70 Ca 0.73 0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 61.70 2yuq h SER 70 Cb 2.37 0.12 0.01 0.00 0.14 0.00 0.00 62.40 65.04 2yuq h SER 70 CO -0.26 -0.09 -0.53 1.88 -1.14 0.00 0.00 176.83 176.69 2yuq h TYR 71 N 0.37 0.74 -3.90 3.45 -1.99 -0.81 -3.45 116.97 111.38 2yuq h TYR 71 Ca 0.71 -0.33 -0.51 0.00 2.00 0.00 0.00 58.73 60.60 2yuq h TYR 71 Cb 1.55 -0.11 0.05 0.00 2.00 0.00 0.00 36.73 40.21 2yuq h TYR 71 CO -0.02 1.11 0.52 -0.51 -0.00 0.00 0.00 178.16 179.26 2yuq s LEU 72 N -8.57 4.31 -0.03 3.88 1.43 0.73 -1.20 118.68 119.24 2yuq s LEU 72 Ca -0.12 2.39 -0.01 0.00 -1.03 0.00 0.00 54.13 55.36 2yuq s LEU 72 Cb 0.06 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.43 2yuq s LEU 72 CO 0.83 -0.54 0.05 0.68 0.23 0.00 0.00 176.35 177.61 2yuq s VAL 73 N -1.32 -0.03 -0.15 -1.59 -7.23 -0.26 -4.86 120.40 104.96 2yuq s VAL 73 Ca 0.53 0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 60.52 2yuq s VAL 73 Cb -0.32 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 2yuq s VAL 73 CO 0.42 0.04 1.87 -0.70 -0.31 0.00 0.00 175.10 176.42 2yuq s GLU 74 N 0.59 3.70 -0.62 4.82 2.12 -1.26 -1.75 118.70 126.30 2yuq s GLU 74 Ca -0.05 2.00 -0.37 0.00 0.36 0.00 0.00 54.97 56.92 2yuq s GLU 74 Cb -0.07 -4.16 -0.17 0.00 0.26 0.00 0.00 34.13 29.99 2yuq s GLU 74 CO -0.02 -1.43 2.34 1.17 -0.54 0.00 0.00 175.26 176.78 2yuq n LYS 75 N 7.93 0.31 -1.43 4.30 3.00 -0.94 -4.80 118.16 126.52 2yuq n LYS 75 Ca 0.22 0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 58.18 2yuq n LYS 75 Cb 0.44 -1.85 0.01 0.00 0.00 0.00 0.00 35.03 33.63 2yuq n LYS 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yuq n SER 76 N 9.54 -1.17 0.13 3.14 7.64 -1.26 -4.83 113.62 126.81 2yuq n SER 76 Ca 0.54 0.88 0.12 0.00 1.01 0.00 0.00 58.87 61.42 2yuq n SER 76 Cb 0.08 -1.08 0.49 0.00 -1.01 0.00 0.00 64.21 62.69 2yuq n SER 76 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2yuq n PRO 77 N 0.66 0.19 -3.63 1.43 -0.04 -1.26 -4.32 135.00 128.04 2yuq n PRO 77 Ca 0.11 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.61 2yuq n PRO 77 Cb 0.40 -1.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 2yuq n PRO 77 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2yuq s ASN 78 N -4.24 5.58 0.04 3.54 0.01 -1.26 -5.06 114.94 113.55 2yuq s ASN 78 Ca 0.04 -2.32 -0.31 0.00 -0.71 0.00 0.00 52.86 49.57 2yuq s ASN 78 Cb 0.09 -1.94 -0.10 0.00 0.41 0.00 0.00 41.25 39.71 2yuq s ASN 78 CO 0.39 -0.55 1.95 -0.46 -1.51 0.00 0.00 177.10 176.92 2yuq n ASN 79 N 4.30 4.09 -4.85 -1.22 0.23 -1.26 -4.97 115.26 111.57 2yuq n ASN 79 Ca 0.01 0.92 -0.37 0.00 -0.53 0.00 0.00 54.58 54.61 2yuq n ASN 79 Cb 0.41 -1.52 -0.06 0.00 -2.08 0.00 0.00 39.78 36.53 2yuq n ASN 79 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2yuq s LEU 80 N 4.15 4.43 -0.41 -4.53 1.02 -1.26 -5.06 118.68 117.01 2yuq s LEU 80 Ca 0.88 0.80 0.02 0.00 0.02 0.00 0.00 54.13 55.85 2yuq s LEU 80 Cb -0.47 -2.54 0.13 0.00 0.02 0.00 0.00 46.19 43.33 2yuq s LEU 80 CO 0.42 0.31 0.20 -1.61 0.02 0.00 0.00 176.35 175.70 2yuq s GLU 81 N -1.26 1.24 -0.06 1.70 2.02 -1.26 -4.96 118.70 116.12 2yuq s GLU 81 Ca 0.24 -1.86 0.02 0.00 0.02 0.00 0.00 54.97 53.38 2yuq s GLU 81 Cb -0.15 -2.39 0.15 0.00 0.10 0.00 0.00 34.13 31.84 2yuq s GLU 81 CO 0.12 -1.11 0.92 2.41 0.02 0.00 0.00 175.26 177.62 2yuq n THR 82 N 3.81 0.91 -3.79 3.63 -1.04 -1.26 -4.53 114.28 112.00 2yuq n THR 82 Ca 0.06 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 61.46 2yuq n THR 82 Cb 0.36 -0.63 -0.13 0.00 -1.82 0.00 0.00 70.33 68.11 2yuq n THR 82 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2yuq s TYR 83 N -1.08 2.51 -0.84 -1.42 2.02 -1.26 -5.06 117.35 112.22 2yuq s TYR 83 Ca 0.11 -2.77 -0.21 0.00 -0.37 0.00 0.00 57.07 53.83 2yuq s TYR 83 Cb 0.09 -2.22 0.09 0.00 -0.40 0.00 0.00 41.96 39.52 2yuq s TYR 83 CO 0.03 -0.74 1.12 -1.83 -1.57 0.00 0.00 175.55 172.56 2yuq s GLU 84 N -0.11 3.41 0.00 -0.62 -1.05 -1.26 -5.28 118.70 113.79 2yuq s GLU 84 Ca 0.19 -1.29 0.22 0.00 -0.15 0.00 0.00 54.97 53.94 2yuq s GLU 84 Cb -0.20 -4.72 1.34 0.00 -0.44 0.00 0.00 34.13 30.11 2yuq s GLU 84 CO -0.03 -1.86 1.71 0.91 0.95 0.00 0.00 175.26 176.94