#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 -0.66 0.03 1.61 0.15 -1.26 -5.16 113.70 108.41 2yuq s SER 2 Ca 0.00 1.16 0.07 0.00 0.70 0.00 0.00 55.95 57.89 2yuq s SER 2 Cb 0.00 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.49 2yuq s SER 2 CO 0.00 -0.22 -0.21 -0.44 1.20 0.00 0.00 173.24 173.57 2yuq s SER 3 N 1.83 2.52 -0.33 5.45 0.01 -1.26 -5.05 113.70 116.87 2yuq s SER 3 Ca -0.08 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.72 2yuq s SER 3 Cb -0.08 -0.22 0.28 0.00 0.21 0.00 0.00 66.02 66.20 2yuq s SER 3 CO -0.16 0.18 1.32 0.61 0.41 0.00 0.00 173.24 175.61 2yuq n GLY 4 N 1.96 -1.15 3.63 3.44 0.00 -1.26 -5.13 105.19 106.67 2yuq n GLY 4 Ca -0.17 0.62 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 2yuq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuq s SER 5 N -0.28 6.46 -0.35 1.61 0.01 -1.26 -5.04 113.70 114.85 2yuq s SER 5 Ca 0.17 0.55 -0.06 0.00 1.31 0.00 0.00 55.95 57.93 2yuq s SER 5 Cb 0.25 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 64.26 2yuq s SER 5 CO -0.15 -0.26 0.11 -0.94 0.41 0.00 0.00 173.24 172.41 2yuq s SER 6 N 1.45 5.27 0.05 2.44 1.04 -1.26 -4.75 113.70 117.94 2yuq s SER 6 Ca 0.22 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2yuq s SER 6 Cb -0.16 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2yuq s SER 6 CO 0.09 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2yuq n GLY 7 N 4.77 -0.82 4.20 7.32 0.00 -1.26 -5.02 105.19 114.38 2yuq n GLY 7 Ca -0.11 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2yuq n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuq n GLU 8 N -2.59 -3.20 -3.92 1.61 -0.58 -1.26 -4.93 120.64 105.77 2yuq n GLU 8 Ca 0.00 0.38 -0.30 0.00 -0.42 0.00 0.00 57.16 56.82 2yuq n GLU 8 Cb 0.00 -5.05 -0.16 0.00 -0.57 0.00 0.00 31.44 25.67 2yuq n GLU 8 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2yuq s ASP 9 N -3.39 3.68 0.14 1.62 -4.77 -1.26 -5.03 116.67 107.67 2yuq s ASP 9 Ca 0.68 -1.10 -0.29 0.00 -3.30 0.00 0.00 52.55 48.54 2yuq s ASP 9 Cb -0.37 -1.11 -0.04 0.00 -1.09 0.00 0.00 42.92 40.31 2yuq s ASP 9 CO 0.92 -0.23 1.58 0.78 0.70 0.00 0.00 175.17 178.92 2yuq h ASN 10 N 7.99 -1.41 -3.56 2.11 -0.26 -2.05 -3.44 115.58 114.96 2yuq h ASN 10 Ca -0.19 0.20 0.05 0.00 -0.56 0.00 0.00 56.30 55.80 2yuq h ASN 10 Cb 1.08 0.59 -0.25 0.00 -1.06 0.00 0.00 38.32 38.68 2yuq h ASN 10 CO 0.41 -0.41 0.42 0.00 -1.06 0.00 0.00 177.43 176.79 2yuq s ARG 11 N -5.85 0.59 0.02 0.81 1.70 -1.26 -5.11 118.95 109.84 2yuq s ARG 11 Ca -0.15 0.53 0.01 0.00 -0.47 0.00 0.00 55.73 55.65 2yuq s ARG 11 Cb 0.10 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 2yuq s ARG 11 CO 0.64 -0.10 -0.04 1.03 -1.08 0.00 0.00 175.30 175.74 2yuq s ARG 12 N -0.10 0.35 0.69 3.89 0.52 -1.26 -5.15 118.95 117.88 2yuq s ARG 12 Ca 0.01 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.66 2yuq s ARG 12 Cb -0.04 -0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.27 2yuq s ARG 12 CO -0.03 0.03 1.10 -1.25 0.02 0.00 0.00 175.30 175.18 2yuq s PRO 13 N -0.84 2.67 -0.16 3.54 0.04 -1.26 -5.00 135.00 133.97 2yuq s PRO 13 Ca -0.06 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.08 2yuq s PRO 13 Cb -0.06 -1.94 -0.23 0.00 0.04 0.00 0.00 34.50 32.31 2yuq s PRO 13 CO -0.00 -1.35 0.47 -0.07 0.04 0.00 0.00 177.00 176.09 2yuq h LEU 14 N -0.27 0.08-10.56 -3.56 3.38 -2.01 -3.48 115.31 98.89 2yuq h LEU 14 Ca -0.46 -0.74 -0.49 0.00 0.09 0.00 0.00 57.88 56.27 2yuq h LEU 14 Cb 1.24 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2yuq h LEU 14 CO 0.53 1.35 -0.15 0.26 0.09 0.00 0.00 178.44 180.52 2yuq s TRP 15 N -2.34 1.63 0.17 1.13 0.52 -1.26 -5.13 118.94 113.66 2yuq s TRP 15 Ca -0.24 -0.70 0.07 0.00 0.02 0.00 0.00 56.10 55.25 2yuq s TRP 15 Cb 0.03 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2yuq s TRP 15 CO 0.66 -0.94 0.04 -1.21 0.02 0.00 0.00 176.95 175.52 2yuq s GLU 16 N -4.56 2.56 0.44 4.98 2.02 -1.26 -5.02 118.70 117.86 2yuq s GLU 16 Ca 0.57 -1.03 0.23 0.00 0.02 0.00 0.00 54.97 54.76 2yuq s GLU 16 Cb -0.06 -2.45 0.99 0.00 0.10 0.00 0.00 34.13 32.71 2yuq s GLU 16 CO 0.35 0.47 1.87 -1.00 0.02 0.00 0.00 175.26 176.97 2yuq h PRO 17 N 2.64 0.00 -0.52 0.39 0.13 -2.03 -3.07 132.00 129.55 2yuq h PRO 17 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2yuq h PRO 17 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2yuq h PRO 17 CO 0.60 0.24 0.05 0.93 -0.23 0.00 0.00 178.00 179.59 2yuq h GLU 18 N 0.00 0.88 -6.49 0.86 4.39 -2.06 -3.43 114.58 108.73 2yuq h GLU 18 Ca -0.00 -0.25 -0.52 0.00 0.34 0.00 0.00 59.36 58.92 2yuq h GLU 18 Cb 0.67 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2yuq h GLU 18 CO 0.03 0.88 0.24 -1.21 -1.16 0.00 0.00 179.01 177.79 2yuq s GLU 19 N -5.12 4.62 -0.57 2.33 8.01 -1.16 -4.99 118.70 121.81 2yuq s GLU 19 Ca -0.12 1.24 -0.28 0.00 0.01 0.00 0.00 54.97 55.82 2yuq s GLU 19 Cb 0.12 -3.32 0.01 0.00 -4.31 0.00 0.00 34.13 26.62 2yuq s GLU 19 CO 0.82 0.39 1.50 0.99 0.01 0.00 0.00 175.26 178.96 2yuq s THR 20 N -0.53 3.69 -0.25 3.63 2.01 -1.26 -4.79 115.64 118.15 2yuq s THR 20 Ca 0.40 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.85 2yuq s THR 20 Cb -0.23 -4.35 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 2yuq s THR 20 CO 0.27 -1.14 0.20 -0.69 -0.69 0.00 0.00 174.62 172.56 2yuq s VAL 21 N 6.55 5.33 0.50 3.82 1.01 -1.26 -1.70 120.40 134.64 2yuq s VAL 21 Ca 0.55 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2yuq s VAL 21 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2yuq s VAL 21 CO 0.24 0.31 0.33 0.68 0.00 0.00 0.00 175.10 176.65 2yuq s VAL 22 N 1.28 1.89 -0.04 2.92 -7.23 -0.41 -2.71 120.40 116.10 2yuq s VAL 22 Ca 0.09 -1.55 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2yuq s VAL 22 Cb -0.14 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.37 2yuq s VAL 22 CO 0.06 0.00 0.13 -0.63 -0.31 0.00 0.00 175.10 174.35 2yuq s ILE 23 N -2.70 0.02 -0.05 -0.62 1.01 -0.44 -0.63 121.20 117.79 2yuq s ILE 23 Ca 0.35 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 2yuq s ILE 23 Cb -0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2yuq s ILE 23 CO 0.21 -0.10 0.66 0.00 0.00 0.00 0.00 174.94 175.72 2yuq s ALA 24 N -0.29 3.38 0.13 9.38 0.00 -1.10 0.07 121.76 133.33 2yuq s ALA 24 Ca -0.04 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2yuq s ALA 24 Cb -0.03 -2.89 -0.12 0.00 0.00 0.00 0.00 23.12 20.09 2yuq s ALA 24 CO 0.00 -0.02 1.28 -0.07 0.00 0.00 0.00 175.76 176.96 2yuq h LEU 25 N 6.40 0.42 -8.74 0.00 3.38 -1.41 -2.89 115.31 112.48 2yuq h LEU 25 Ca -0.42 -0.37 -0.33 0.00 0.09 0.00 0.00 57.88 56.85 2yuq h LEU 25 Cb 1.20 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2yuq h LEU 25 CO 0.74 1.20 -0.68 -0.31 0.09 0.00 0.00 178.44 179.47 2yuq s TYR 26 N -3.09 1.36 -0.63 1.13 2.02 -1.26 -4.64 117.35 112.23 2yuq s TYR 26 Ca -0.04 -0.89 -0.26 0.00 -0.37 0.00 0.00 57.07 55.50 2yuq s TYR 26 Cb 0.09 -0.75 0.04 0.00 -0.40 0.00 0.00 41.96 40.93 2yuq s TYR 26 CO 0.86 -0.05 1.13 0.34 -1.57 0.00 0.00 175.55 176.26 2yuq s ASP 27 N -3.22 6.30 0.30 2.29 2.15 -1.26 -4.01 116.67 119.23 2yuq s ASP 27 Ca 0.23 -0.30 -0.21 0.00 0.43 0.00 0.00 52.55 52.69 2yuq s ASP 27 Cb 0.05 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 40.06 2yuq s ASP 27 CO 0.04 -1.52 0.84 -0.47 -0.17 0.00 0.00 175.17 173.89 2yuq s TYR 28 N 4.82 3.57 -0.04 -5.34 5.04 -1.20 -4.90 117.35 119.31 2yuq s TYR 28 Ca 0.35 1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 56.50 2yuq s TYR 28 Cb -0.10 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.49 2yuq s TYR 28 CO 0.19 0.19 0.06 1.14 -1.34 0.00 0.00 175.55 175.79 2yuq s GLN 29 N -2.34 -0.05 0.05 4.97 -2.07 -1.26 -2.72 119.66 116.24 2yuq s GLN 29 Ca 0.50 0.33 0.05 0.00 -1.82 0.00 0.00 55.36 54.42 2yuq s GLN 29 Cb -0.15 -0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 31.35 2yuq s GLN 29 CO 0.20 -0.27 -0.14 -0.08 -1.32 0.00 0.00 175.29 173.68 2yuq s THR 30 N 1.77 1.13 -0.10 3.63 -1.32 -1.26 -5.02 115.64 114.47 2yuq s THR 30 Ca -0.00 -1.13 0.16 0.00 -1.21 0.00 0.00 61.69 59.50 2yuq s THR 30 Cb -0.12 -1.05 -0.16 0.00 -1.51 0.00 0.00 72.50 69.66 2yuq s THR 30 CO -0.03 -0.08 0.79 0.59 -2.21 0.00 0.00 174.62 173.67 2yuq n ASN 31 N 1.65 0.87 -4.77 8.08 3.02 -1.26 -4.82 115.26 118.03 2yuq n ASN 31 Ca -0.19 0.39 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 2yuq n ASN 31 Cb 0.54 0.09 -0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2yuq n ASN 31 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yuq s ASP 32 N -5.86 6.30 0.21 6.41 2.15 -1.26 -4.93 116.67 119.69 2yuq s ASP 32 Ca -0.03 2.89 -0.03 0.00 0.43 0.00 0.00 52.55 55.81 2yuq s ASP 32 Cb 0.08 -2.66 0.17 0.00 -0.30 0.00 0.00 42.92 40.22 2yuq s ASP 32 CO 0.81 -0.88 1.57 1.55 -0.17 0.00 0.00 175.17 178.05 2yuq h PRO 33 N 2.85 0.61 -0.41 4.34 0.13 -2.04 -3.16 132.00 134.31 2yuq h PRO 33 Ca -0.50 -0.32 -0.15 0.00 -0.87 0.00 0.00 66.00 64.16 2yuq h PRO 33 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2yuq h PRO 33 CO 0.63 0.91 -0.33 1.96 -0.23 0.00 0.00 178.00 180.95 2yuq h GLN 34 N 0.49 0.95 -7.01 0.86 4.20 -1.96 -3.44 115.11 109.20 2yuq h GLN 34 Ca 0.04 -0.46 -0.48 0.00 0.06 0.00 0.00 58.65 57.81 2yuq h GLN 34 Cb 0.94 -0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.74 2yuq h GLN 34 CO 0.08 1.12 0.41 -1.21 -0.67 0.00 0.00 178.83 178.57 2yuq s GLU 35 N -4.49 3.97 -0.03 1.46 2.02 -1.20 -2.93 118.70 117.51 2yuq s GLU 35 Ca -0.11 1.48 0.02 0.00 0.02 0.00 0.00 54.97 56.38 2yuq s GLU 35 Cb 0.12 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 2yuq s GLU 35 CO 0.88 -0.30 -0.07 -1.17 0.02 0.00 0.00 175.26 174.62 2yuq s LEU 36 N -3.02 3.18 -0.49 1.80 2.96 -1.24 -4.77 118.68 117.10 2yuq s LEU 36 Ca 0.62 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.27 2yuq s LEU 36 Cb -0.20 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.78 2yuq s LEU 36 CO 0.25 0.32 0.56 0.00 -1.32 0.00 0.00 176.35 176.17 2yuq s ALA 37 N -0.90 3.42 1.19 5.97 0.00 -1.26 -4.69 121.76 125.49 2yuq s ALA 37 Ca 0.15 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 2yuq s ALA 37 Cb -0.11 -3.26 0.21 0.00 0.00 0.00 0.00 23.12 19.95 2yuq s ALA 37 CO 0.04 -1.89 0.67 1.28 0.00 0.00 0.00 175.76 175.86 2yuq n LEU 38 N 5.94 0.00 -3.86 0.00 4.77 -1.10 -4.85 117.00 117.90 2yuq n LEU 38 Ca -0.07 -0.71 -0.12 0.00 -0.03 0.00 0.00 56.01 55.08 2yuq n LEU 38 Cb 0.45 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 2yuq n LEU 38 CO 0.52 -1.88 -0.21 -0.60 -1.33 0.00 0.00 177.39 173.88 2yuq s ARG 39 N -4.54 0.29 0.17 3.23 6.06 -1.26 -3.21 118.95 119.68 2yuq s ARG 39 Ca 0.45 -0.11 -0.32 0.00 -2.50 0.00 0.00 55.73 53.26 2yuq s ARG 39 Cb -0.05 0.13 -0.11 0.00 0.06 0.00 0.00 34.95 34.98 2yuq s ARG 39 CO 0.35 -0.06 1.65 0.50 -2.50 0.00 0.00 175.30 175.25 2yuq s ARG 40 N -0.62 4.18 -1.00 5.12 3.52 -1.26 -2.86 118.95 126.03 2yuq s ARG 40 Ca -0.07 2.46 -0.02 0.00 -0.13 0.00 0.00 55.73 57.97 2yuq s ARG 40 Cb -0.04 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 2yuq s ARG 40 CO 0.01 -0.69 0.85 0.09 -0.81 0.00 0.00 175.30 174.74 2yuq n ASN 41 N 4.31 -3.46 -3.71 -2.12 3.02 -1.09 -4.96 115.26 107.25 2yuq n ASN 41 Ca 0.15 -0.57 -0.19 0.00 -0.03 0.00 0.00 54.58 53.94 2yuq n ASN 41 Cb 0.38 -4.57 -0.17 0.00 -0.61 0.00 0.00 39.78 34.80 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 -4.84 0.00 0.73 3.52 0.41 -1.13 -5.01 118.70 112.37 2yuq s GLU 42 Ca 0.14 0.30 -0.11 0.00 -0.41 0.00 0.00 54.97 54.90 2yuq s GLU 42 Cb -0.02 -0.49 0.03 0.00 -1.78 0.00 0.00 34.13 31.87 2yuq s GLU 42 CO 0.64 -0.28 1.07 -1.21 -0.49 0.00 0.00 175.26 174.99 2yuq s GLU 43 N 1.85 2.68 -0.19 1.61 8.01 -1.26 -2.71 118.70 128.69 2yuq s GLU 43 Ca 0.01 0.96 -0.12 0.00 0.01 0.00 0.00 54.97 55.82 2yuq s GLU 43 Cb -0.12 -1.96 0.06 0.00 -4.31 0.00 0.00 34.13 27.80 2yuq s GLU 43 CO -0.03 -1.29 0.48 0.71 0.01 0.00 0.00 175.26 175.14 2yuq s TYR 44 N -3.03 -0.66 -0.56 1.61 1.51 0.19 -4.66 117.35 111.76 2yuq s TYR 44 Ca 0.59 1.43 -0.28 0.00 -1.01 0.00 0.00 57.07 57.79 2yuq s TYR 44 Cb -0.15 0.30 0.03 0.00 -0.11 0.00 0.00 41.96 42.03 2yuq s TYR 44 CO 0.55 -0.35 1.23 0.00 -1.11 0.00 0.00 175.55 175.87 2yuq s LEU 46 N 5.08 4.39 -0.08 0.00 2.96 -0.69 -1.67 118.68 128.67 2yuq s LEU 46 Ca 0.45 2.76 -0.07 0.00 -0.22 0.00 0.00 54.13 57.06 2yuq s LEU 46 Cb -0.08 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2yuq s LEU 46 CO 0.26 -0.99 -0.13 0.18 -1.32 0.00 0.00 176.35 174.35 2yuq n LEU 47 N 5.38 1.00 -3.87 -0.68 4.77 -0.10 -4.73 117.00 118.78 2yuq n LEU 47 Ca 0.17 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.39 2yuq n LEU 47 Cb 0.38 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2yuq n LEU 47 CO 0.65 -0.45 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.44 2yuq s ASP 48 N -4.83 -0.01 -0.44 -1.43 2.15 -0.45 -5.03 116.67 106.62 2yuq s ASP 48 Ca -0.11 -0.06 0.05 0.00 0.43 0.00 0.00 52.55 52.86 2yuq s ASP 48 Cb 0.01 0.22 0.43 0.00 -0.30 0.00 0.00 42.92 43.29 2yuq s ASP 48 CO 0.16 -0.24 1.30 -1.54 -0.17 0.00 0.00 175.17 174.68 2yuq n SER 49 N 2.05 5.28 -0.41 -0.34 3.41 -1.26 -0.98 113.62 121.38 2yuq n SER 49 Ca -0.19 -3.75 0.33 0.00 -0.26 0.00 0.00 58.87 55.00 2yuq n SER 49 Cb 0.57 -0.52 0.62 0.00 -0.26 0.00 0.00 64.21 64.62 2yuq n SER 49 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2yuq h SER 50 N 2.44 0.28 -0.61 4.04 4.64 -1.96 -3.41 113.55 118.97 2yuq h SER 50 Ca 0.37 0.10 -0.66 0.00 -0.47 0.00 0.00 61.79 61.14 2yuq h SER 50 Cb 1.04 0.08 -0.12 0.00 -0.31 0.00 0.00 62.40 63.09 2yuq h SER 50 CO 0.93 -0.08 -0.51 -1.61 -0.87 0.00 0.00 176.83 174.70 2yuq s GLU 51 N -5.32 2.17 -0.23 4.77 2.02 -1.24 -5.09 118.70 115.78 2yuq s GLU 51 Ca -0.08 -2.30 -0.16 0.00 0.02 0.00 0.00 54.97 52.45 2yuq s GLU 51 Cb 0.28 -1.62 -0.11 0.00 0.10 0.00 0.00 34.13 32.78 2yuq s GLU 51 CO 0.82 -0.33 -0.23 -0.89 0.02 0.00 0.00 175.26 174.64 2yuq n ILE 52 N -1.27 1.51 -0.09 -1.63 5.41 -1.26 -4.57 119.36 117.46 2yuq n ILE 52 Ca -0.15 -0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.32 2yuq n ILE 52 Cb 0.67 -2.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.49 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 -1.00 1.09 -3.63 1.39 3.86 -1.97 -3.40 115.15 111.49 2yuq h HIS 53 Ca -0.41 -0.37 -0.66 0.00 -1.16 0.00 0.00 60.37 57.77 2yuq h HIS 53 Cb 1.31 -0.21 -0.23 0.00 1.06 0.00 0.00 27.41 29.33 2yuq h HIS 53 CO -0.15 1.20 -0.61 -1.58 0.86 0.00 0.00 177.93 177.65 2yuq s TRP 54 N -4.21 3.11 -0.07 2.45 0.52 -1.26 0.10 118.94 119.58 2yuq s TRP 54 Ca -0.11 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.45 2yuq s TRP 54 Cb 0.10 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.14 2yuq s TRP 54 CO 0.88 -0.43 -0.19 -1.58 0.02 0.00 0.00 176.95 175.65 2yuq s TRP 55 N 1.58 2.60 -0.38 -1.98 0.52 -0.30 -3.61 118.94 117.38 2yuq s TRP 55 Ca 0.05 -0.51 -0.21 0.00 0.02 0.00 0.00 56.10 55.45 2yuq s TRP 55 Cb -0.16 -1.66 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 2yuq s TRP 55 CO 0.04 -0.08 0.69 0.50 0.02 0.00 0.00 176.95 178.12 2yuq s ARG 56 N -0.25 3.62 0.42 4.98 3.52 -0.15 -2.80 118.95 128.29 2yuq s ARG 56 Ca 0.00 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.69 2yuq s ARG 56 Cb -0.13 -3.84 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 2yuq s ARG 56 CO 0.03 -0.83 0.11 0.14 -0.81 0.00 0.00 175.30 173.94 2yuq s VAL 57 N 2.87 0.71 0.01 7.11 -7.23 -1.24 -0.92 120.40 121.71 2yuq s VAL 57 Ca 0.26 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2yuq s VAL 57 Cb -0.14 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2yuq s VAL 57 CO 0.17 0.00 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.32 2yuq s GLN 58 N -3.74 0.41 0.58 4.82 0.74 -0.67 -3.10 119.66 118.70 2yuq s GLN 58 Ca 0.22 -0.29 -0.08 0.00 0.05 0.00 0.00 55.36 55.26 2yuq s GLN 58 Cb 0.03 -0.34 -0.02 0.00 1.10 0.00 0.00 33.01 33.78 2yuq s GLN 58 CO 0.13 0.09 0.93 0.34 -0.55 0.00 0.00 175.29 176.23 2yuq s ASP 59 N -0.43 5.94 0.53 6.67 2.15 0.73 -1.76 116.67 130.50 2yuq s ASP 59 Ca -0.01 1.03 0.19 0.00 0.43 0.00 0.00 52.55 54.19 2yuq s ASP 59 Cb -0.04 -2.11 1.37 0.00 -0.30 0.00 0.00 42.92 41.85 2yuq s ASP 59 CO -0.00 -0.91 2.16 0.08 -0.17 0.00 0.00 175.17 176.33 2yuq h ARG 60 N -0.17 0.00 0.07 4.34 0.11 -1.89 -2.04 114.38 114.80 2yuq h ARG 60 Ca -0.45 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.35 2yuq h ARG 60 Cb 1.22 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.32 2yuq h ARG 60 CO 0.62 0.02 -1.14 -0.91 0.10 0.00 0.00 179.97 178.66 2yuq h ASN 61 N 0.00 0.78 0.00 0.08 2.35 -1.99 -3.47 115.58 113.33 2yuq h ASN 61 Ca -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 2yuq h ASN 61 Cb 0.04 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.16 2yuq h ASN 61 CO 0.00 1.50 0.00 0.61 -1.65 0.00 0.00 177.43 177.89 2yuq n GLY 62 N 1.23 1.01 3.23 2.83 0.00 -0.77 -5.14 105.19 107.59 2yuq n GLY 62 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.04 2.88 0.52 1.61 3.76 -1.26 -4.85 115.29 116.91 2yuq s HIS 63 Ca 0.00 -1.24 0.01 0.00 -0.15 0.00 0.00 55.06 53.68 2yuq s HIS 63 Cb 0.00 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 2yuq s HIS 63 CO 0.00 -0.65 0.01 -1.83 -0.85 0.00 0.00 174.74 171.41 2yuq s GLU 64 N 1.37 2.21 0.00 1.40 4.04 -1.26 -0.19 118.70 126.26 2yuq s GLU 64 Ca 0.05 -2.42 0.00 0.00 0.04 0.00 0.00 54.97 52.64 2yuq s GLU 64 Cb -0.14 -1.48 0.00 0.00 0.02 0.00 0.00 34.13 32.53 2yuq s GLU 64 CO -0.07 -0.39 0.00 0.41 -1.84 0.00 0.00 175.26 173.37 2yuq n GLY 65 N -1.27 -1.61 3.44 -3.83 0.00 -1.18 -4.58 105.19 96.16 2yuq n GLY 65 Ca -0.20 -1.24 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.86 3.04 0.16 1.61 2.02 -1.15 -3.58 117.35 116.60 2yuq s TYR 66 Ca 0.00 -0.56 0.09 0.00 -0.37 0.00 0.00 57.07 56.24 2yuq s TYR 66 Cb 0.00 -3.57 -0.04 0.00 -0.40 0.00 0.00 41.96 37.95 2yuq s TYR 66 CO 0.00 -1.05 -0.16 0.14 -1.57 0.00 0.00 175.55 172.91 2yuq s VAL 67 N 2.64 2.87 -0.40 0.71 -7.23 -1.12 -3.71 120.40 114.17 2yuq s VAL 67 Ca 0.15 -1.69 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 2yuq s VAL 67 Cb -0.19 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 2yuq s VAL 67 CO 0.12 -0.04 1.73 -2.16 -0.31 0.00 0.00 175.10 174.44 2yuq s PRO 68 N -2.55 3.25 0.54 4.82 0.04 -1.26 -1.15 135.00 138.70 2yuq s PRO 68 Ca 0.21 1.18 0.41 0.00 0.04 0.00 0.00 61.00 62.84 2yuq s PRO 68 Cb -0.09 -4.20 1.60 0.00 0.04 0.00 0.00 34.50 31.85 2yuq s PRO 68 CO 0.12 -1.96 1.71 1.03 0.04 0.00 0.00 177.00 177.94 2yuq h SER 69 N 12.82 0.03 -0.60 6.66 0.87 -0.55 0.36 113.55 133.14 2yuq h SER 69 Ca -0.31 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.38 2yuq h SER 69 Cb 1.15 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 63.01 2yuq h SER 69 CO 1.08 -0.01 -0.22 0.28 -0.53 0.00 0.00 176.83 177.43 2yuq h SER 70 N 0.02 -0.77 -0.73 6.23 0.02 -1.87 0.71 113.55 117.17 2yuq h SER 70 Ca 0.71 0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.81 2yuq h SER 70 Cb 2.80 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 65.75 2yuq h SER 70 CO -0.04 -0.25 0.25 1.88 -1.14 0.00 0.00 176.83 177.53 2yuq h TYR 71 N -0.07 1.16 -3.90 3.45 -1.99 -1.28 -3.43 116.97 110.91 2yuq h TYR 71 Ca 0.28 -0.11 -0.52 0.00 2.00 0.00 0.00 58.73 60.38 2yuq h TYR 71 Cb 0.50 -0.34 0.06 0.00 2.00 0.00 0.00 36.73 38.94 2yuq h TYR 71 CO -0.55 0.91 0.57 -0.51 -0.00 0.00 0.00 178.16 178.58 2yuq s LEU 72 N -9.60 4.35 0.01 3.88 1.43 0.24 -1.07 118.68 117.92 2yuq s LEU 72 Ca -0.12 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 2yuq s LEU 72 Cb 0.15 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2yuq s LEU 72 CO 0.84 -0.56 -0.07 0.68 0.23 0.00 0.00 176.35 177.46 2yuq s VAL 73 N -1.23 0.56 -0.41 -1.59 -7.23 0.11 -4.85 120.40 105.76 2yuq s VAL 73 Ca 0.52 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 2yuq s VAL 73 Cb -0.36 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2yuq s VAL 73 CO 0.47 0.05 1.52 -0.70 -0.31 0.00 0.00 175.10 176.13 2yuq s GLU 74 N -0.45 3.46 -0.33 4.82 2.12 -1.26 -1.33 118.70 125.73 2yuq s GLU 74 Ca 0.00 1.00 -0.39 0.00 0.36 0.00 0.00 54.97 55.94 2yuq s GLU 74 Cb -0.04 -4.09 -0.15 0.00 0.26 0.00 0.00 34.13 30.11 2yuq s GLU 74 CO -0.00 -1.71 1.94 1.17 -0.54 0.00 0.00 175.26 176.12 2yuq n LYS 75 N 8.26 1.00 -1.33 4.30 4.81 -1.10 -4.91 118.16 129.19 2yuq n LYS 75 Ca 0.18 0.33 -0.31 0.00 -0.87 0.00 0.00 58.31 57.64 2yuq n LYS 75 Cb 0.48 -2.15 0.09 0.00 0.02 0.00 0.00 35.03 33.47 2yuq n LYS 75 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2yuq s SER 76 N 5.09 4.53 0.00 3.14 0.01 -1.26 -4.90 113.70 120.31 2yuq s SER 76 Ca 1.05 1.71 0.14 0.00 1.31 0.00 0.00 55.95 60.16 2yuq s SER 76 Cb -1.05 -2.44 0.82 0.00 0.21 0.00 0.00 66.02 63.56 2yuq s SER 76 CO 0.60 -2.00 1.24 -0.81 0.41 0.00 0.00 173.24 172.68 2yuq n PRO 77 N -3.49 0.48 -0.53 12.44 -0.04 -1.26 -4.83 135.00 137.77 2yuq n PRO 77 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 2yuq n PRO 77 Cb 0.54 -1.45 0.17 0.00 -0.04 0.00 0.00 33.50 32.72 2yuq n PRO 77 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2yuq n ASN 78 N -0.95 -2.96 -4.59 3.54 0.23 -1.26 -4.87 115.26 104.41 2yuq n ASN 78 Ca 0.10 -0.37 -0.37 0.00 -0.53 0.00 0.00 54.58 53.41 2yuq n ASN 78 Cb 0.05 -0.85 0.06 0.00 -2.08 0.00 0.00 39.78 36.95 2yuq n ASN 78 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2yuq n ASN 79 N -1.98 0.41 -4.40 0.53 2.85 -1.26 -4.91 115.26 106.49 2yuq n ASN 79 Ca 0.05 0.75 -0.45 0.00 -0.11 0.00 0.00 54.58 54.82 2yuq n ASN 79 Cb 0.47 -1.36 -0.01 0.00 1.24 0.00 0.00 39.78 40.12 2yuq n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yuq s LEU 80 N -1.95 5.73 -1.01 1.20 1.02 -1.26 -4.97 118.68 117.44 2yuq s LEU 80 Ca 0.75 -3.00 -0.23 0.00 0.02 0.00 0.00 54.13 51.66 2yuq s LEU 80 Cb -0.40 -2.31 -0.01 0.00 0.02 0.00 0.00 46.19 43.49 2yuq s LEU 80 CO 0.48 -0.62 1.78 -0.70 0.02 0.00 0.00 176.35 177.32 2yuq s GLU 81 N 0.60 2.97 -0.16 1.70 2.12 -1.26 -4.93 118.70 119.74 2yuq s GLU 81 Ca 0.33 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 2yuq s GLU 81 Cb -0.07 -5.22 -0.01 0.00 0.26 0.00 0.00 34.13 29.10 2yuq s GLU 81 CO -0.05 -3.03 -0.13 0.95 -0.54 0.00 0.00 175.26 172.46 2yuq s THR 82 N 8.22 2.89 -0.59 -1.70 -4.23 -1.26 -5.01 115.64 113.97 2yuq s THR 82 Ca 0.61 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2yuq s THR 82 Cb -0.03 -2.24 0.44 0.00 1.34 0.00 0.00 72.50 72.01 2yuq s THR 82 CO -0.01 0.50 1.80 -1.22 -0.54 0.00 0.00 174.62 175.15 2yuq n TYR 83 N 4.03 3.10 -3.22 3.99 4.02 -1.26 -4.90 117.16 122.93 2yuq n TYR 83 Ca -0.19 -2.77 -0.46 0.00 -0.01 0.00 0.00 57.90 54.47 2yuq n TYR 83 Cb 0.52 -1.10 -0.02 0.00 -0.02 0.00 0.00 39.34 38.71 2yuq n TYR 83 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2yuq s GLU 84 N -3.79 3.67 0.00 -0.72 2.56 -1.26 -5.27 118.70 113.89 2yuq s GLU 84 Ca 0.60 -2.36 0.23 0.00 0.00 0.00 0.00 54.97 53.44 2yuq s GLU 84 Cb 0.47 -4.58 0.18 0.00 2.00 0.00 0.00 34.13 32.21 2yuq s GLU 84 CO -0.05 -1.42 1.24 -2.67 -0.56 0.00 0.00 175.26 171.80