#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 -0.32 1.12 1.61 0.15 -1.26 -5.17 113.70 109.83 2yuq s SER 2 Ca 0.00 0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 2yuq s SER 2 Cb 0.00 0.48 0.25 0.00 -1.71 0.00 0.00 66.02 65.04 2yuq s SER 2 CO 0.00 -0.40 1.15 -0.44 1.20 0.00 0.00 173.24 174.75 2yuq s SER 3 N -0.93 1.64 0.12 5.45 0.01 -1.26 -5.05 113.70 113.67 2yuq s SER 3 Ca -0.10 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2yuq s SER 3 Cb -0.04 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2yuq s SER 3 CO 0.04 -3.68 0.00 0.61 0.41 0.00 0.00 173.24 170.62 2yuq n GLY 4 N -1.57 -0.14 0.30 3.44 0.00 -1.26 -5.00 105.19 100.96 2yuq n GLY 4 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 2yuq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuq n SER 5 N -3.05 1.79 -3.92 1.61 2.88 -1.26 -5.01 113.62 106.66 2yuq n SER 5 Ca 0.00 0.12 -0.19 0.00 -1.33 0.00 0.00 58.87 57.47 2yuq n SER 5 Cb 0.00 -0.47 -0.16 0.00 -0.75 0.00 0.00 64.21 62.84 2yuq n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuq s SER 6 N -6.39 0.83 -0.10 -3.46 0.01 -1.26 -5.02 113.70 98.31 2yuq s SER 6 Ca -0.26 -0.12 0.18 0.00 1.31 0.00 0.00 55.95 57.06 2yuq s SER 6 Cb 0.09 -0.31 0.66 0.00 0.21 0.00 0.00 66.02 66.67 2yuq s SER 6 CO 0.36 -0.01 1.57 0.61 0.41 0.00 0.00 173.24 176.19 2yuq n GLY 7 N 3.65 2.88 3.09 3.44 0.00 -1.26 -4.84 105.19 112.15 2yuq n GLY 7 Ca -0.21 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.82 2.10 -0.57 1.61 0.41 -1.26 -5.07 118.70 114.10 2yuq s GLU 8 Ca 0.47 -1.48 -0.28 0.00 -0.41 0.00 0.00 54.97 53.27 2yuq s GLU 8 Cb 0.31 -3.10 0.01 0.00 -1.78 0.00 0.00 34.13 29.57 2yuq s GLU 8 CO 0.23 -0.71 1.43 0.16 -0.49 0.00 0.00 175.26 175.88 2yuq s ASP 9 N 1.16 6.09 -0.47 -0.19 1.47 -1.26 -4.87 116.67 118.60 2yuq s ASP 9 Ca -0.02 0.26 0.04 0.00 1.18 0.00 0.00 52.55 54.01 2yuq s ASP 9 Cb -0.20 -2.55 0.42 0.00 -0.34 0.00 0.00 42.92 40.26 2yuq s ASP 9 CO -0.05 -1.74 1.31 -3.20 0.68 0.00 0.00 175.17 172.17 2yuq n ASN 10 N 9.70 5.32 -4.56 2.11 5.15 -1.26 -4.98 115.26 126.75 2yuq n ASN 10 Ca 0.12 -3.75 -0.38 0.00 -0.60 0.00 0.00 54.58 49.98 2yuq n ASN 10 Cb 0.49 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 2yuq n ASN 10 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2yuq s ARG 11 N -3.65 3.32 0.48 1.20 6.06 -1.26 -4.98 118.95 120.12 2yuq s ARG 11 Ca 0.50 -0.88 -0.17 0.00 -2.50 0.00 0.00 55.73 52.68 2yuq s ARG 11 Cb 0.41 -5.24 -0.09 0.00 0.06 0.00 0.00 34.95 30.09 2yuq s ARG 11 CO -0.16 -2.49 0.95 1.03 -2.50 0.00 0.00 175.30 172.14 2yuq s ARG 12 N 5.50 4.02 1.18 5.12 0.52 -1.26 -5.06 118.95 128.97 2yuq s ARG 12 Ca 0.52 0.96 -0.18 0.00 -0.52 0.00 0.00 55.73 56.50 2yuq s ARG 12 Cb -0.02 -2.17 0.28 0.00 0.52 0.00 0.00 34.95 33.55 2yuq s ARG 12 CO -0.07 -0.18 1.11 -1.25 0.02 0.00 0.00 175.30 174.93 2yuq s PRO 13 N -3.78 -1.06 -0.14 3.54 0.04 -1.26 -5.04 135.00 127.31 2yuq s PRO 13 Ca 0.59 -0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.54 2yuq s PRO 13 Cb -0.10 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 2yuq s PRO 13 CO 0.26 -3.61 -0.21 1.28 0.04 0.00 0.00 177.00 174.75 2yuq n LEU 14 N -4.70 1.26 0.00 -3.56 7.99 -1.26 -5.04 117.00 111.69 2yuq n LEU 14 Ca 0.12 0.21 -0.28 0.00 -0.01 0.00 0.00 56.01 56.06 2yuq n LEU 14 Cb 0.59 -0.50 0.26 0.00 -0.11 0.00 0.00 43.42 43.66 2yuq n LEU 14 CO 0.46 0.13 0.38 0.79 -1.51 0.00 0.00 177.39 177.65 2yuq n TRP 15 N -3.82 -3.70 -4.41 -1.77 7.02 -1.26 -5.04 117.44 104.47 2yuq n TRP 15 Ca -0.26 -0.79 -0.31 0.00 -1.02 0.00 0.00 57.50 55.12 2yuq n TRP 15 Cb 0.62 -1.12 -0.10 0.00 -2.42 0.00 0.00 31.31 28.29 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 -5.00 2.39 0.00 -0.99 8.01 -1.26 -5.00 118.70 116.86 2yuq s GLU 16 Ca 0.62 -0.83 0.15 0.00 0.01 0.00 0.00 54.97 54.92 2yuq s GLU 16 Cb -0.10 -2.42 0.71 0.00 -4.31 0.00 0.00 34.13 28.01 2yuq s GLU 16 CO 0.51 0.57 1.41 -0.35 0.01 0.00 0.00 175.26 177.41 2yuq n PRO 17 N 1.29 0.16 -0.05 0.39 -0.04 -1.26 -2.87 135.00 132.63 2yuq n PRO 17 Ca -0.15 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.27 2yuq n PRO 17 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2yuq n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2yuq n GLU 18 N -1.34 0.69 -2.56 0.54 4.07 -1.26 -4.93 120.64 115.85 2yuq n GLU 18 Ca 0.06 0.33 -0.37 0.00 -0.06 0.00 0.00 57.16 57.12 2yuq n GLU 18 Cb 0.13 -1.68 -0.04 0.00 -0.06 0.00 0.00 31.44 29.79 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2yuq s GLU 19 N -2.50 4.19 -0.31 5.31 0.41 -1.14 -4.98 118.70 119.68 2yuq s GLU 19 Ca -0.27 1.50 -0.29 0.00 -0.41 0.00 0.00 54.97 55.51 2yuq s GLU 19 Cb 0.07 -2.56 -0.00 0.00 -1.78 0.00 0.00 34.13 29.86 2yuq s GLU 19 CO 0.68 -0.11 1.36 0.99 -0.49 0.00 0.00 175.26 177.69 2yuq s THR 20 N -1.66 4.03 -0.21 3.63 2.01 -1.26 -4.78 115.64 117.40 2yuq s THR 20 Ca 0.57 1.15 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 2yuq s THR 20 Cb -0.22 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.18 2yuq s THR 20 CO 0.27 -0.51 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.93 2yuq s VAL 21 N 4.71 3.18 0.31 3.82 1.01 -1.26 -2.10 120.40 130.07 2yuq s VAL 21 Ca 0.59 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.10 2yuq s VAL 21 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2yuq s VAL 21 CO 0.26 0.44 0.12 0.68 0.00 0.00 0.00 175.10 176.60 2yuq s VAL 22 N 1.41 3.30 0.05 2.92 -7.23 -0.58 -2.79 120.40 117.49 2yuq s VAL 22 Ca 0.05 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 2yuq s VAL 22 Cb -0.14 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 2yuq s VAL 22 CO -0.04 -0.25 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.75 2yuq s ILE 23 N -2.36 0.93 -0.19 -0.62 1.09 -0.14 0.80 121.20 120.71 2yuq s ILE 23 Ca 0.36 -1.10 -0.16 0.00 -1.10 0.00 0.00 60.65 58.64 2yuq s ILE 23 Cb -0.04 -0.90 -0.04 0.00 -1.06 0.00 0.00 42.46 40.42 2yuq s ILE 23 CO 0.22 -0.18 0.42 0.00 -0.10 0.00 0.00 174.94 175.30 2yuq s ALA 24 N -1.11 3.55 0.27 9.38 0.00 -0.97 0.52 121.76 133.39 2yuq s ALA 24 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2yuq s ALA 24 Cb -0.09 -2.64 0.36 0.00 0.00 0.00 0.00 23.12 20.75 2yuq s ALA 24 CO 0.01 -0.24 1.62 -0.07 0.00 0.00 0.00 175.76 177.09 2yuq h LEU 25 N 7.46 0.11 -8.35 0.00 3.38 -1.37 -1.32 115.31 115.21 2yuq h LEU 25 Ca -0.37 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 2yuq h LEU 25 Cb 1.16 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 2yuq h LEU 25 CO 0.73 0.66 -0.69 -0.31 0.09 0.00 0.00 178.44 178.92 2yuq s TYR 26 N -3.75 0.72 -0.80 1.13 2.02 -1.26 -4.55 117.35 110.86 2yuq s TYR 26 Ca -0.03 -1.00 -0.26 0.00 -0.37 0.00 0.00 57.07 55.41 2yuq s TYR 26 Cb 0.13 -0.46 0.04 0.00 -0.40 0.00 0.00 41.96 41.27 2yuq s TYR 26 CO 0.77 -0.27 1.29 0.16 -1.57 0.00 0.00 175.55 175.93 2yuq s ASP 27 N -2.99 6.24 0.37 2.29 1.47 -1.26 -3.95 116.67 118.85 2yuq s ASP 27 Ca 0.10 -0.73 -0.25 0.00 1.18 0.00 0.00 52.55 52.85 2yuq s ASP 27 Cb 0.07 -2.55 -0.09 0.00 -0.34 0.00 0.00 42.92 40.01 2yuq s ASP 27 CO -0.07 -1.72 1.02 -0.47 0.68 0.00 0.00 175.17 174.61 2yuq s TYR 28 N 5.39 3.41 0.03 2.11 5.04 -0.81 -4.89 117.35 127.64 2yuq s TYR 28 Ca 0.36 1.68 0.02 0.00 -2.44 0.00 0.00 57.07 56.70 2yuq s TYR 28 Cb -0.07 -3.07 -0.02 0.00 0.35 0.00 0.00 41.96 39.15 2yuq s TYR 28 CO 0.09 -0.37 -0.07 1.14 -1.34 0.00 0.00 175.55 174.99 2yuq s GLN 29 N -2.32 0.49 0.14 4.97 -2.07 -1.26 -2.16 119.66 117.45 2yuq s GLN 29 Ca 0.55 -0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 53.36 2yuq s GLN 29 Cb -0.21 -0.30 0.00 0.00 -1.09 0.00 0.00 33.01 31.41 2yuq s GLN 29 CO 0.27 0.06 0.30 -0.08 -1.32 0.00 0.00 175.29 174.52 2yuq s THR 30 N -1.10 0.09 -0.51 3.63 -1.32 -1.26 -5.00 115.64 110.16 2yuq s THR 30 Ca -0.08 -1.13 0.14 0.00 -1.21 0.00 0.00 61.69 59.42 2yuq s THR 30 Cb -0.08 -1.55 0.45 0.00 -1.51 0.00 0.00 72.50 69.80 2yuq s THR 30 CO 0.00 -0.39 1.36 0.59 -2.21 0.00 0.00 174.62 173.97 2yuq n ASN 31 N -0.18 3.54 -4.50 8.08 3.02 -1.26 -4.96 115.26 119.00 2yuq n ASN 31 Ca -0.11 -2.59 -0.31 0.00 -0.03 0.00 0.00 54.58 51.53 2yuq n ASN 31 Cb 0.63 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.26 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2yuq s ASP 32 N -1.51 4.08 0.18 6.41 1.11 -1.26 -5.03 116.67 120.65 2yuq s ASP 32 Ca 0.35 -0.30 -0.06 0.00 0.18 0.00 0.00 52.55 52.72 2yuq s ASP 32 Cb 0.25 -0.79 0.09 0.00 1.07 0.00 0.00 42.92 43.55 2yuq s ASP 32 CO 0.12 0.28 1.53 1.55 1.18 0.00 0.00 175.17 179.83 2yuq h PRO 33 N 4.66 0.73 0.00 8.23 0.13 -2.02 -2.92 132.00 140.81 2yuq h PRO 33 Ca -0.48 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 64.25 2yuq h PRO 33 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2yuq h PRO 33 CO 0.50 1.00 -0.08 -0.56 -0.23 0.00 0.00 178.00 178.63 2yuq h GLN 34 N 0.60 0.00 -6.19 0.86 3.07 -1.96 -3.43 115.11 108.07 2yuq h GLN 34 Ca 0.05 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.23 2yuq h GLN 34 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.49 2yuq h GLN 34 CO 0.09 0.08 -0.34 -1.21 0.09 0.00 0.00 178.83 177.54 2yuq s GLU 35 N -4.19 3.54 0.01 0.06 2.02 -1.10 -1.96 118.70 117.08 2yuq s GLU 35 Ca -0.03 -0.27 0.08 0.00 0.02 0.00 0.00 54.97 54.77 2yuq s GLU 35 Cb 0.13 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 2yuq s GLU 35 CO 0.55 0.43 -0.23 -1.17 0.02 0.00 0.00 175.26 174.86 2yuq s LEU 36 N -3.07 2.28 -0.45 1.80 2.96 -1.18 -4.75 118.68 116.28 2yuq s LEU 36 Ca 0.39 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.60 2yuq s LEU 36 Cb -0.11 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.22 2yuq s LEU 36 CO 0.28 0.29 0.76 0.00 -1.32 0.00 0.00 176.35 176.36 2yuq s ALA 37 N -0.75 3.30 0.73 5.97 0.00 -1.26 -4.75 121.76 125.01 2yuq s ALA 37 Ca 0.12 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2yuq s ALA 37 Cb -0.10 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2yuq s ALA 37 CO 0.01 -1.89 1.07 -0.51 0.00 0.00 0.00 175.76 174.45 2yuq s LEU 38 N 3.20 2.92 -0.05 0.00 1.43 -0.92 -4.85 118.68 120.41 2yuq s LEU 38 Ca 0.29 1.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.93 2yuq s LEU 38 Cb -0.12 -4.26 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 2yuq s LEU 38 CO 0.22 -1.64 -0.24 -0.60 0.23 0.00 0.00 176.35 174.32 2yuq s ARG 39 N -5.09 2.47 0.11 1.70 6.06 -1.26 -1.91 118.95 121.01 2yuq s ARG 39 Ca 0.59 -0.88 -0.31 0.00 -2.50 0.00 0.00 55.73 52.63 2yuq s ARG 39 Cb -0.14 -2.17 -0.09 0.00 0.06 0.00 0.00 34.95 32.61 2yuq s ARG 39 CO 0.55 0.44 1.64 0.50 -2.50 0.00 0.00 175.30 175.93 2yuq s ARG 40 N -0.31 4.20 -0.58 5.12 3.52 -1.25 -2.44 118.95 127.20 2yuq s ARG 40 Ca 0.01 2.36 -0.04 0.00 -0.13 0.00 0.00 55.73 57.94 2yuq s ARG 40 Cb -0.13 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 2yuq s ARG 40 CO 0.02 -0.70 0.51 0.09 -0.81 0.00 0.00 175.30 174.41 2yuq n ASN 41 N 5.02 -3.85 -3.89 -2.12 3.02 -0.50 -4.93 115.26 108.02 2yuq n ASN 41 Ca 0.15 -0.23 -0.20 0.00 -0.03 0.00 0.00 54.58 54.27 2yuq n ASN 41 Cb 0.40 -2.46 -0.16 0.00 -0.61 0.00 0.00 39.78 36.95 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 -5.54 0.83 0.69 3.52 2.02 -1.02 -4.99 118.70 114.21 2yuq s GLU 42 Ca 0.25 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 2yuq s GLU 42 Cb -0.11 -0.86 0.01 0.00 0.10 0.00 0.00 34.13 33.27 2yuq s GLU 42 CO 0.31 -0.10 1.07 -1.21 0.02 0.00 0.00 175.26 175.36 2yuq s GLU 43 N 0.98 2.96 -0.20 1.61 8.01 -1.26 -2.30 118.70 128.51 2yuq s GLU 43 Ca -0.10 0.65 -0.17 0.00 0.01 0.00 0.00 54.97 55.36 2yuq s GLU 43 Cb -0.14 -2.02 0.05 0.00 -4.31 0.00 0.00 34.13 27.71 2yuq s GLU 43 CO -0.00 -1.00 0.51 0.71 0.01 0.00 0.00 175.26 175.49 2yuq s TYR 44 N -3.22 -0.60 -0.16 1.61 1.51 0.24 -4.70 117.35 112.03 2yuq s TYR 44 Ca 0.58 1.41 -0.29 0.00 -1.01 0.00 0.00 57.07 57.76 2yuq s TYR 44 Cb -0.12 0.22 -0.01 0.00 -0.11 0.00 0.00 41.96 41.94 2yuq s TYR 44 CO 0.53 -0.29 1.14 0.00 -1.11 0.00 0.00 175.55 175.82 2yuq s LEU 46 N 2.98 3.52 -0.04 0.00 0.20 -0.89 -1.37 118.68 123.08 2yuq s LEU 46 Ca 0.50 0.67 -0.16 0.00 0.69 0.00 0.00 54.13 55.84 2yuq s LEU 46 Cb -0.19 -3.38 -0.10 0.00 -0.43 0.00 0.00 46.19 42.09 2yuq s LEU 46 CO 0.13 -1.55 0.66 -0.07 -0.29 0.00 0.00 176.35 175.23 2yuq h LEU 47 N 12.63 -0.36 -7.06 -0.68 3.38 -1.12 -3.45 115.31 118.64 2yuq h LEU 47 Ca -0.27 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2yuq h LEU 47 Cb 1.11 0.09 -0.22 0.00 0.09 0.00 0.00 40.66 41.73 2yuq h LEU 47 CO 1.11 0.10 -0.01 -1.81 0.09 0.00 0.00 178.44 177.92 2yuq s ASP 48 N -5.10 -0.76 -0.49 -0.43 1.01 -0.88 -5.04 116.67 104.98 2yuq s ASP 48 Ca -0.09 1.33 0.02 0.00 0.71 0.00 0.00 52.55 54.53 2yuq s ASP 48 Cb 0.01 1.27 0.55 0.00 1.01 0.00 0.00 42.92 45.76 2yuq s ASP 48 CO 0.29 -0.23 1.91 -1.54 0.21 0.00 0.00 175.17 175.81 2yuq n SER 49 N 3.58 5.00 -0.33 0.27 3.41 -1.26 -1.84 113.62 122.46 2yuq n SER 49 Ca -0.18 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 2yuq n SER 49 Cb 0.57 -0.87 0.05 0.00 -0.26 0.00 0.00 64.21 63.70 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 -0.93 -0.52 -4.60 4.04 2.88 -1.26 -4.47 113.62 108.76 2yuq n SER 50 Ca 0.56 1.52 -0.24 0.00 -1.33 0.00 0.00 58.87 59.38 2yuq n SER 50 Cb 1.27 -0.37 0.13 0.00 -0.75 0.00 0.00 64.21 64.49 2yuq n SER 50 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2yuq s GLU 51 N -5.88 1.46 -0.10 -1.46 8.01 -1.25 -5.08 118.70 114.41 2yuq s GLU 51 Ca -0.12 -1.24 -0.11 0.00 0.01 0.00 0.00 54.97 53.51 2yuq s GLU 51 Cb 0.19 -2.31 -0.05 0.00 -4.31 0.00 0.00 34.13 27.65 2yuq s GLU 51 CO 0.63 -1.62 -0.22 -0.89 0.01 0.00 0.00 175.26 173.18 2yuq n ILE 52 N -2.93 1.29 0.17 -1.63 5.41 -1.26 -4.65 119.36 115.75 2yuq n ILE 52 Ca 0.17 0.11 0.02 0.00 1.00 0.00 0.00 62.75 64.05 2yuq n ILE 52 Cb 0.61 -1.98 0.31 0.00 -0.71 0.00 0.00 39.64 37.86 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 -0.63 0.00 -3.16 1.39 3.86 -1.97 -3.42 115.15 111.23 2yuq h HIS 53 Ca -0.12 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.43 2yuq h HIS 53 Cb 0.83 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.96 2yuq h HIS 53 CO -0.21 0.45 -0.86 -1.58 0.86 0.00 0.00 177.93 176.58 2yuq s TRP 54 N -3.92 2.64 -0.05 2.45 0.52 -1.26 -2.04 118.94 117.28 2yuq s TRP 54 Ca -0.02 -1.41 0.04 0.00 0.02 0.00 0.00 56.10 54.74 2yuq s TRP 54 Cb 0.13 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 2yuq s TRP 54 CO 0.73 -0.67 -0.16 -1.58 0.02 0.00 0.00 176.95 175.29 2yuq s TRP 55 N 1.00 2.64 -0.39 -1.98 0.52 -0.81 -3.80 118.94 116.11 2yuq s TRP 55 Ca -0.03 -0.22 -0.22 0.00 0.02 0.00 0.00 56.10 55.65 2yuq s TRP 55 Cb -0.15 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 2yuq s TRP 55 CO -0.06 0.14 0.71 0.50 0.02 0.00 0.00 176.95 178.27 2yuq s ARG 56 N -0.69 3.58 0.36 4.98 3.52 -0.76 -2.87 118.95 127.08 2yuq s ARG 56 Ca 0.11 0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.77 2yuq s ARG 56 Cb -0.11 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 2yuq s ARG 56 CO 0.00 -0.90 0.08 0.14 -0.81 0.00 0.00 175.30 173.82 2yuq s VAL 57 N 2.97 0.98 0.00 7.11 -7.23 -1.22 -0.51 120.40 122.52 2yuq s VAL 57 Ca 0.27 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2yuq s VAL 57 Cb -0.13 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2yuq s VAL 57 CO 0.18 0.00 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.30 2yuq s GLN 58 N -3.83 0.66 0.94 4.82 0.74 -0.47 -2.92 119.66 119.60 2yuq s GLN 58 Ca 0.30 -0.36 -0.14 0.00 0.05 0.00 0.00 55.36 55.21 2yuq s GLN 58 Cb 0.06 -0.62 0.16 0.00 1.10 0.00 0.00 33.01 33.71 2yuq s GLN 58 CO 0.14 0.17 1.22 0.34 -0.55 0.00 0.00 175.29 176.61 2yuq s ASP 59 N -0.38 3.32 0.50 6.67 -1.08 -0.10 -2.32 116.67 123.29 2yuq s ASP 59 Ca 0.02 0.60 0.29 0.00 -0.52 0.00 0.00 52.55 52.94 2yuq s ASP 59 Cb -0.04 -0.90 1.07 0.00 -1.46 0.00 0.00 42.92 41.59 2yuq s ASP 59 CO -0.00 -2.63 1.87 0.08 0.52 0.00 0.00 175.17 175.01 2yuq h ARG 60 N -1.56 0.00 0.13 4.34 0.11 -1.91 -3.18 114.38 112.30 2yuq h ARG 60 Ca -0.46 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.26 2yuq h ARG 60 Cb 1.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 2yuq h ARG 60 CO 0.50 0.07 -1.94 -0.91 0.10 0.00 0.00 179.97 177.80 2yuq h ASN 61 N 0.00 0.41 0.00 0.08 2.35 -2.00 -3.49 115.58 112.94 2yuq h ASN 61 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 2yuq h ASN 61 Cb 0.67 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2yuq h ASN 61 CO 0.01 1.84 0.00 0.61 -1.65 0.00 0.00 177.43 178.24 2yuq n GLY 62 N 1.96 0.22 3.08 2.83 0.00 -1.20 -5.14 105.19 106.94 2yuq n GLY 62 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.33 3.22 0.38 1.61 3.76 -1.26 -4.87 115.29 117.80 2yuq s HIS 63 Ca 0.00 -2.24 0.08 0.00 -0.15 0.00 0.00 55.06 52.75 2yuq s HIS 63 Cb 0.00 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 2yuq s HIS 63 CO 0.00 -0.87 0.27 -1.21 -0.85 0.00 0.00 174.74 172.08 2yuq s GLU 64 N 1.13 2.47 0.00 1.40 8.01 -1.26 -0.92 118.70 129.53 2yuq s GLU 64 Ca -0.07 -1.56 0.00 0.00 0.01 0.00 0.00 54.97 53.35 2yuq s GLU 64 Cb -0.19 -2.27 0.00 0.00 -4.31 0.00 0.00 34.13 27.36 2yuq s GLU 64 CO -0.06 -0.06 0.00 0.41 0.01 0.00 0.00 175.26 175.56 2yuq n GLY 65 N -1.37 -1.90 3.69 -1.39 0.00 -1.15 -4.61 105.19 98.46 2yuq n GLY 65 Ca 0.00 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.63 3.42 0.08 1.61 2.02 -0.83 -3.37 117.35 117.66 2yuq s TYR 66 Ca 0.00 0.71 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 2yuq s TYR 66 Cb 0.00 -2.53 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 2yuq s TYR 66 CO 0.00 0.06 -0.10 0.14 -1.57 0.00 0.00 175.55 174.08 2yuq s VAL 67 N 1.06 0.86 -0.50 0.71 -7.23 -1.14 -3.08 120.40 111.08 2yuq s VAL 67 Ca 0.21 -1.53 -0.27 0.00 -1.81 0.00 0.00 61.98 58.58 2yuq s VAL 67 Cb -0.15 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2yuq s VAL 67 CO 0.08 -0.53 1.79 -2.16 -0.31 0.00 0.00 175.10 173.98 2yuq s PRO 68 N -2.57 2.95 0.55 4.82 0.04 -1.26 -1.92 135.00 137.61 2yuq s PRO 68 Ca 0.02 0.91 0.48 0.00 0.04 0.00 0.00 61.00 62.46 2yuq s PRO 68 Cb -0.04 -4.29 1.71 0.00 0.04 0.00 0.00 34.50 31.92 2yuq s PRO 68 CO -0.00 -2.33 1.59 0.66 0.04 0.00 0.00 177.00 176.96 2yuq h SER 69 N 13.85 0.02 -0.63 6.66 4.64 -1.65 0.54 113.55 136.98 2yuq h SER 69 Ca -0.29 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.17 2yuq h SER 69 Cb 1.16 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.17 2yuq h SER 69 CO 1.14 -0.02 0.15 -1.28 -0.87 0.00 0.00 176.83 175.96 2yuq h SER 70 N 0.00 0.04 -0.49 4.97 0.87 -1.88 -1.25 113.55 115.81 2yuq h SER 70 Ca 0.92 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 61.50 2yuq h SER 70 Cb 3.62 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 65.71 2yuq h SER 70 CO -0.05 0.02 -0.04 1.88 -0.53 0.00 0.00 176.83 178.11 2yuq h TYR 71 N 0.28 0.99 -3.94 2.24 -1.99 -0.26 -3.44 116.97 110.85 2yuq h TYR 71 Ca 0.33 -0.19 -0.51 0.00 2.00 0.00 0.00 58.73 60.36 2yuq h TYR 71 Cb 0.50 -0.25 0.06 0.00 2.00 0.00 0.00 36.73 39.04 2yuq h TYR 71 CO -0.24 0.94 0.55 -0.51 -0.00 0.00 0.00 178.16 178.90 2yuq s LEU 72 N -9.32 4.22 0.01 3.88 1.43 -0.47 -1.01 118.68 117.42 2yuq s LEU 72 Ca -0.12 2.47 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 2yuq s LEU 72 Cb 0.12 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 2yuq s LEU 72 CO 0.83 -0.73 -0.03 0.68 0.23 0.00 0.00 176.35 177.33 2yuq s VAL 73 N -1.34 0.22 -0.29 -1.59 -7.23 0.18 -4.86 120.40 105.50 2yuq s VAL 73 Ca 0.56 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 2yuq s VAL 73 Cb -0.34 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.34 2yuq s VAL 73 CO 0.43 -0.18 1.30 -0.70 -0.31 0.00 0.00 175.10 175.63 2yuq s GLU 74 N -0.73 3.94 -0.81 4.82 2.12 -1.26 -0.97 118.70 125.82 2yuq s GLU 74 Ca -0.06 1.28 -0.34 0.00 0.36 0.00 0.00 54.97 56.21 2yuq s GLU 74 Cb -0.05 -3.87 -0.20 0.00 0.26 0.00 0.00 34.13 30.28 2yuq s GLU 74 CO -0.00 -1.08 2.52 1.17 -0.54 0.00 0.00 175.26 177.32 2yuq n LYS 75 N 7.24 0.14 -1.02 4.30 3.00 -1.12 -4.75 118.16 125.96 2yuq n LYS 75 Ca 0.15 0.02 -0.34 0.00 -0.00 0.00 0.00 58.31 58.14 2yuq n LYS 75 Cb 0.46 -1.70 -0.01 0.00 0.00 0.00 0.00 35.03 33.78 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 10.15 -1.73 -4.77 3.14 7.64 -1.26 -4.87 113.62 121.92 2yuq n SER 76 Ca 0.60 0.71 -0.33 0.00 1.01 0.00 0.00 58.87 60.86 2yuq n SER 76 Cb 0.06 -0.69 0.05 0.00 -1.01 0.00 0.00 64.21 62.62 2yuq n SER 76 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2yuq s PRO 77 N -0.76 2.82 -0.24 1.43 0.04 -1.26 -5.07 135.00 131.95 2yuq s PRO 77 Ca 0.47 1.40 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 2yuq s PRO 77 Cb -0.57 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.09 2yuq s PRO 77 CO 0.46 -1.24 0.64 1.21 0.04 0.00 0.00 177.00 178.11 2yuq s ASN 78 N -2.55 -0.73 -1.60 6.66 2.47 -1.26 -4.94 114.94 112.99 2yuq s ASN 78 Ca 0.67 1.32 -0.09 0.00 0.42 0.00 0.00 52.86 55.18 2yuq s ASN 78 Cb -0.21 1.29 0.09 0.00 -1.45 0.00 0.00 41.25 40.97 2yuq s ASN 78 CO 0.41 -0.23 0.22 -0.46 -3.72 0.00 0.00 177.10 173.32 2yuq n ASN 79 N 3.24 -0.09 -3.84 -4.21 0.23 -1.26 -4.90 115.26 104.42 2yuq n ASN 79 Ca -0.16 -1.21 -0.28 0.00 -0.53 0.00 0.00 54.58 52.40 2yuq n ASN 79 Cb 0.56 -1.52 -0.16 0.00 -2.08 0.00 0.00 39.78 36.58 2yuq n ASN 79 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2yuq s LEU 80 N -7.09 1.63 -1.06 -4.53 1.98 -1.26 -5.07 118.68 103.28 2yuq s LEU 80 Ca 0.30 -0.80 -0.11 0.00 -2.89 0.00 0.00 54.13 50.64 2yuq s LEU 80 Cb -0.18 -0.84 0.26 0.00 0.66 0.00 0.00 46.19 46.09 2yuq s LEU 80 CO 0.96 -0.24 1.07 -1.61 -1.89 0.00 0.00 176.35 174.65 2yuq s GLU 81 N 1.67 4.07 -0.02 1.98 0.41 -1.26 -4.99 118.70 120.56 2yuq s GLU 81 Ca -0.01 -3.01 -0.04 0.00 -0.41 0.00 0.00 54.97 51.50 2yuq s GLU 81 Cb -0.16 -4.58 0.00 0.00 -1.78 0.00 0.00 34.13 27.61 2yuq s GLU 81 CO -0.07 -1.30 0.10 0.99 -0.49 0.00 0.00 175.26 174.49 2yuq s THR 82 N -0.71 0.03 -0.11 3.63 2.01 -1.26 -5.15 115.64 114.08 2yuq s THR 82 Ca 0.29 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2yuq s THR 82 Cb -0.09 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.18 2yuq s THR 82 CO -0.08 -0.15 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.18 2yuq s TYR 83 N -0.46 2.39 -0.99 4.92 1.51 -1.26 -5.07 117.35 118.39 2yuq s TYR 83 Ca -0.05 -1.05 -0.16 0.00 -1.01 0.00 0.00 57.07 54.80 2yuq s TYR 83 Cb -0.03 -1.63 0.17 0.00 -0.11 0.00 0.00 41.96 40.36 2yuq s TYR 83 CO 0.00 -0.46 1.12 -1.21 -1.11 0.00 0.00 175.55 173.89 2yuq s GLU 84 N 0.57 3.76 0.00 -0.62 8.01 -1.26 -5.35 118.70 123.81 2yuq s GLU 84 Ca -0.14 -2.22 0.06 0.00 0.01 0.00 0.00 54.97 52.68 2yuq s GLU 84 Cb -0.17 -4.81 0.05 0.00 -4.31 0.00 0.00 34.13 24.89 2yuq s GLU 84 CO 0.04 -1.62 0.69 1.87 0.01 0.00 0.00 175.26 176.25