#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 1.34 -0.45 1.61 0.15 -1.26 -5.11 113.70 109.99 2yuq s SER 2 Ca 0.00 -0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.23 2yuq s SER 2 Cb 0.00 -0.49 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2yuq s SER 2 CO 0.00 -0.11 1.23 -0.55 1.20 0.00 0.00 173.24 175.01 2yuq s SER 3 N 1.41 6.54 0.00 5.45 0.15 -1.26 -4.80 113.70 121.20 2yuq s SER 3 Ca -0.03 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2yuq s SER 3 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2yuq s SER 3 CO -0.03 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2yuq n GLY 4 N 4.89 0.63 3.55 9.45 0.00 -1.26 -5.12 105.19 117.33 2yuq n GLY 4 Ca 0.14 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 2yuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuq s SER 5 N -1.04 -0.54 -0.55 1.61 1.04 -1.26 -5.12 113.70 107.83 2yuq s SER 5 Ca 0.00 0.65 -0.28 0.00 0.48 0.00 0.00 55.95 56.79 2yuq s SER 5 Cb 0.00 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2yuq s SER 5 CO 0.00 -0.47 1.21 -0.44 0.98 0.00 0.00 173.24 174.53 2yuq s SER 6 N -1.00 6.45 -0.16 7.02 0.01 -1.26 -4.99 113.70 119.77 2yuq s SER 6 Ca -0.06 0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 2yuq s SER 6 Cb -0.01 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2yuq s SER 6 CO 0.06 -1.46 1.11 -0.83 0.41 0.00 0.00 173.24 172.53 2yuq s GLY 7 N 3.03 1.91 -0.29 3.44 0.00 -1.26 -4.99 107.32 109.15 2yuq s GLY 7 Ca 0.45 0.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.38 2yuq s GLY 7 CO 0.27 2.20 0.98 1.85 0.00 0.00 0.00 173.10 178.40 2yuq s GLU 8 N 2.83 0.35 0.32 2.90 2.56 -1.26 -5.17 118.70 121.23 2yuq s GLU 8 Ca 0.49 0.68 -0.03 0.00 0.00 0.00 0.00 54.97 56.12 2yuq s GLU 8 Cb -0.19 0.19 -0.04 0.00 2.00 0.00 0.00 34.13 36.08 2yuq s GLU 8 CO 0.13 -0.09 0.56 -0.51 -0.56 0.00 0.00 175.26 174.80 2yuq s ASP 9 N 1.67 6.37 0.10 -1.70 1.01 -1.26 -5.11 116.67 117.74 2yuq s ASP 9 Ca -0.07 0.62 0.05 0.00 0.71 0.00 0.00 52.55 53.85 2yuq s ASP 9 Cb -0.04 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 2yuq s ASP 9 CO -0.16 -0.25 -0.12 0.54 0.21 0.00 0.00 175.17 175.39 2yuq s ASN 10 N -3.56 1.63 0.12 0.27 4.22 -1.26 -5.14 114.94 111.22 2yuq s ASN 10 Ca 0.42 -0.77 -0.27 0.00 -2.14 0.00 0.00 52.86 50.11 2yuq s ASN 10 Cb -0.10 -0.02 -0.07 0.00 1.28 0.00 0.00 41.25 42.34 2yuq s ASN 10 CO 0.33 -0.20 0.83 -0.13 -2.04 0.00 0.00 177.10 175.89 2yuq s ARG 11 N -2.54 4.60 0.75 3.55 3.00 -1.26 -5.04 118.95 122.00 2yuq s ARG 11 Ca 0.05 1.22 -0.12 0.00 0.00 0.00 0.00 55.73 56.87 2yuq s ARG 11 Cb -0.05 -3.32 0.05 0.00 0.00 0.00 0.00 34.95 31.62 2yuq s ARG 11 CO 0.01 0.39 1.11 1.03 0.00 0.00 0.00 175.30 177.84 2yuq s ARG 12 N -0.52 2.30 0.66 3.54 3.00 -1.26 -5.01 118.95 121.66 2yuq s ARG 12 Ca 0.39 1.29 -0.15 0.00 0.00 0.00 0.00 55.73 57.27 2yuq s ARG 12 Cb -0.22 -1.90 0.00 0.00 0.00 0.00 0.00 34.95 32.83 2yuq s ARG 12 CO 0.26 -1.62 1.11 -1.25 0.00 0.00 0.00 175.30 173.80 2yuq s PRO 13 N -4.61 2.79 -0.06 3.54 0.04 -1.26 -4.99 135.00 130.45 2yuq s PRO 13 Ca 0.64 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 2yuq s PRO 13 Cb -0.19 -1.95 -0.25 0.00 0.04 0.00 0.00 34.50 32.15 2yuq s PRO 13 CO 0.52 -1.26 0.97 -0.07 0.04 0.00 0.00 177.00 177.20 2yuq h LEU 14 N -0.01 0.27 0.00 -3.56 4.07 -2.07 -3.47 115.31 110.55 2yuq h LEU 14 Ca -0.47 -0.84 -0.39 0.00 0.08 0.00 0.00 57.88 56.27 2yuq h LEU 14 Cb 1.25 -0.09 0.06 0.00 1.08 0.00 0.00 40.66 42.96 2yuq h LEU 14 CO 0.54 1.08 0.06 0.79 -1.08 0.00 0.00 178.44 179.83 2yuq n TRP 15 N -4.41 -2.88 -4.27 1.13 7.02 -1.26 -5.12 117.44 107.65 2yuq n TRP 15 Ca -0.11 -1.52 -0.23 0.00 -1.02 0.00 0.00 57.50 54.62 2yuq n TRP 15 Cb 0.58 -0.57 -0.07 0.00 -2.42 0.00 0.00 31.31 28.83 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 -4.52 2.36 0.12 -0.99 0.41 -1.26 -5.05 118.70 109.77 2yuq s GLU 16 Ca 0.54 -1.35 -0.13 0.00 -0.41 0.00 0.00 54.97 53.61 2yuq s GLU 16 Cb -0.03 -2.22 -0.06 0.00 -1.78 0.00 0.00 34.13 30.04 2yuq s GLU 16 CO 0.35 0.38 1.45 -1.00 -0.49 0.00 0.00 175.26 175.95 2yuq h PRO 17 N 1.92 0.82 -0.28 0.39 0.13 -2.01 -3.24 132.00 129.73 2yuq h PRO 17 Ca -0.45 -0.43 -0.03 0.00 -0.87 0.00 0.00 66.00 64.22 2yuq h PRO 17 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2yuq h PRO 17 CO 0.60 1.06 0.06 1.05 -0.23 0.00 0.00 178.00 180.54 2yuq h GLU 18 N 0.60 0.46 -6.55 0.86 4.11 -2.05 -3.43 114.58 108.58 2yuq h GLU 18 Ca 0.06 -0.12 -0.53 0.00 0.07 0.00 0.00 59.36 58.84 2yuq h GLU 18 Cb 0.91 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.13 2yuq h GLU 18 CO 0.08 0.56 0.87 -1.21 0.07 0.00 0.00 179.01 179.38 2yuq s GLU 19 N -5.24 4.23 -0.50 1.06 8.01 -1.23 -4.93 118.70 120.11 2yuq s GLU 19 Ca -0.13 2.28 -0.28 0.00 0.01 0.00 0.00 54.97 56.85 2yuq s GLU 19 Cb 0.08 -3.29 0.01 0.00 -4.31 0.00 0.00 34.13 26.62 2yuq s GLU 19 CO 0.74 -0.60 1.46 0.99 0.01 0.00 0.00 175.26 177.86 2yuq s THR 20 N 1.53 3.79 -0.08 3.63 2.01 -1.26 -4.70 115.64 120.54 2yuq s THR 20 Ca 0.70 0.72 0.02 0.00 0.31 0.00 0.00 61.69 63.44 2yuq s THR 20 Cb -0.41 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 67.79 2yuq s THR 20 CO 0.31 -0.98 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.42 2yuq s VAL 21 N 6.06 2.93 0.39 3.82 1.01 -1.26 -2.81 120.40 130.54 2yuq s VAL 21 Ca 0.58 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2yuq s VAL 21 Cb -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 2yuq s VAL 21 CO 0.28 0.56 0.06 0.68 0.00 0.00 0.00 175.10 176.68 2yuq s VAL 22 N -0.21 2.27 0.03 2.92 -7.23 -0.92 -2.81 120.40 114.45 2yuq s VAL 22 Ca 0.00 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2yuq s VAL 22 Cb -0.13 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2yuq s VAL 22 CO 0.03 -0.06 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.01 2yuq s ILE 23 N -2.62 0.95 -0.11 -0.62 1.09 -0.51 -0.36 121.20 119.02 2yuq s ILE 23 Ca 0.37 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.81 2yuq s ILE 23 Cb 0.05 -0.87 -0.04 0.00 -1.06 0.00 0.00 42.46 40.54 2yuq s ILE 23 CO 0.20 -0.02 0.62 0.00 -0.10 0.00 0.00 174.94 175.64 2yuq s ALA 24 N -0.81 3.42 0.05 9.38 0.00 -1.04 0.03 121.76 132.80 2yuq s ALA 24 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 2yuq s ALA 24 Cb -0.07 -2.87 -0.27 0.00 0.00 0.00 0.00 23.12 19.91 2yuq s ALA 24 CO 0.01 -0.18 1.12 -0.07 0.00 0.00 0.00 175.76 176.64 2yuq h LEU 25 N 7.09 0.83 -8.80 0.00 3.38 -1.36 -2.90 115.31 113.55 2yuq h LEU 25 Ca -0.39 -0.79 -0.38 0.00 0.09 0.00 0.00 57.88 56.41 2yuq h LEU 25 Cb 1.18 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 2yuq h LEU 25 CO 0.76 1.53 -0.69 -0.31 0.09 0.00 0.00 178.44 179.82 2yuq s TYR 26 N -3.10 1.48 -0.36 1.13 1.51 -1.26 -4.66 117.35 112.10 2yuq s TYR 26 Ca -0.10 -0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 54.89 2yuq s TYR 26 Cb 0.05 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2yuq s TYR 26 CO 0.91 0.10 1.23 -0.51 -1.11 0.00 0.00 175.55 176.17 2yuq s ASP 27 N -3.26 6.68 -0.16 2.29 1.11 -1.26 -4.34 116.67 117.73 2yuq s ASP 27 Ca 0.22 0.97 -0.10 0.00 0.18 0.00 0.00 52.55 53.83 2yuq s ASP 27 Cb 0.03 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.43 2yuq s ASP 27 CO 0.05 -1.11 0.16 -0.47 1.18 0.00 0.00 175.17 174.98 2yuq s TYR 28 N 4.36 3.49 0.13 4.23 5.04 -1.21 -4.97 117.35 128.43 2yuq s TYR 28 Ca 0.53 0.45 0.07 0.00 -2.44 0.00 0.00 57.07 55.68 2yuq s TYR 28 Cb -0.13 -2.11 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 2yuq s TYR 28 CO 0.24 0.46 -0.17 -0.65 -1.34 0.00 0.00 175.55 174.09 2yuq s GLN 29 N -0.17 1.14 -0.00 4.97 -0.21 -1.26 -2.04 119.66 122.09 2yuq s GLN 29 Ca 0.12 -1.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.05 2yuq s GLN 29 Cb -0.12 -1.17 0.03 0.00 1.00 0.00 0.00 33.01 32.75 2yuq s GLN 29 CO 0.01 0.24 0.37 -0.08 -2.12 0.00 0.00 175.29 173.72 2yuq s THR 30 N -1.86 0.05 -0.02 -0.19 -1.32 -1.26 -4.99 115.64 106.06 2yuq s THR 30 Ca 0.11 -0.44 0.12 0.00 -1.21 0.00 0.00 61.69 60.26 2yuq s THR 30 Cb -0.07 -0.76 -0.19 0.00 -1.51 0.00 0.00 72.50 69.97 2yuq s THR 30 CO 0.05 -0.24 0.90 -1.13 -2.21 0.00 0.00 174.62 171.99 2yuq h ASN 31 N 3.53 0.00 -3.74 8.08 -1.24 -2.01 -3.46 115.58 116.74 2yuq h ASN 31 Ca -0.30 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.22 2yuq h ASN 31 Cb 1.18 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.20 2yuq h ASN 31 CO 0.41 0.90 0.25 -1.81 -1.29 0.00 0.00 177.43 175.89 2yuq s ASP 32 N -6.23 7.26 0.09 1.15 1.01 -1.26 -4.99 116.67 113.70 2yuq s ASP 32 Ca -0.02 1.68 -0.16 0.00 0.71 0.00 0.00 52.55 54.76 2yuq s ASP 32 Cb 0.09 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 2yuq s ASP 32 CO 0.82 0.00 1.41 1.55 0.21 0.00 0.00 175.17 179.16 2yuq h PRO 33 N 3.40 0.65 -0.91 8.23 0.13 -2.03 -3.20 132.00 138.26 2yuq h PRO 33 Ca -0.47 -0.34 0.26 0.00 -0.87 0.00 0.00 66.00 64.58 2yuq h PRO 33 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2yuq h PRO 33 CO 0.65 0.95 0.25 1.96 -0.23 0.00 0.00 178.00 181.58 2yuq h GLN 34 N 0.37 0.17 -6.31 0.86 4.20 -1.96 -3.38 115.11 109.06 2yuq h GLN 34 Ca 0.04 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 58.20 2yuq h GLN 34 Cb 0.83 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 2yuq h GLN 34 CO 0.07 0.11 0.12 -1.21 -0.67 0.00 0.00 178.83 177.25 2yuq s GLU 35 N -5.90 4.46 0.06 1.46 8.01 -1.21 -2.60 118.70 122.97 2yuq s GLU 35 Ca -0.12 1.01 -0.08 0.00 0.01 0.00 0.00 54.97 55.79 2yuq s GLU 35 Cb 0.27 -3.32 -0.05 0.00 -4.31 0.00 0.00 34.13 26.71 2yuq s GLU 35 CO 0.77 0.40 0.35 -1.17 0.01 0.00 0.00 175.26 175.62 2yuq s LEU 36 N -0.43 4.35 -0.54 1.80 2.96 -1.19 -4.76 118.68 120.86 2yuq s LEU 36 Ca 0.36 0.68 -0.20 0.00 -0.22 0.00 0.00 54.13 54.75 2yuq s LEU 36 Cb -0.21 -2.90 0.07 0.00 0.50 0.00 0.00 46.19 43.65 2yuq s LEU 36 CO 0.22 0.19 0.71 0.00 -1.32 0.00 0.00 176.35 176.16 2yuq s ALA 37 N -1.38 3.34 1.23 5.97 0.00 -1.26 -4.62 121.76 125.03 2yuq s ALA 37 Ca 0.32 -1.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.35 2yuq s ALA 37 Cb -0.13 -3.48 0.28 0.00 0.00 0.00 0.00 23.12 19.79 2yuq s ALA 37 CO 0.18 -2.19 0.81 1.28 0.00 0.00 0.00 175.76 175.85 2yuq n LEU 38 N 6.50 -1.80 -3.98 0.00 4.77 -0.86 -4.83 117.00 116.80 2yuq n LEU 38 Ca -0.06 -0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 55.43 2yuq n LEU 38 Cb 0.45 -1.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.24 2yuq n LEU 38 CO 0.57 -3.51 -0.43 -0.60 -1.33 0.00 0.00 177.39 172.09 2yuq s ARG 39 N -4.30 0.80 0.20 3.23 3.00 -1.26 -3.29 118.95 117.33 2yuq s ARG 39 Ca 0.66 -0.26 -0.32 0.00 -1.00 0.00 0.00 55.73 54.81 2yuq s ARG 39 Cb -0.21 -0.77 -0.12 0.00 0.00 0.00 0.00 34.95 33.85 2yuq s ARG 39 CO 0.64 0.11 1.70 0.50 0.00 0.00 0.00 175.30 178.24 2yuq s ARG 40 N 0.14 4.14 -1.06 5.12 3.52 -1.26 -2.71 118.95 126.85 2yuq s ARG 40 Ca -0.02 2.56 -0.01 0.00 -0.13 0.00 0.00 55.73 58.13 2yuq s ARG 40 Cb -0.07 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 2yuq s ARG 40 CO 0.00 -0.73 0.89 0.09 -0.81 0.00 0.00 175.30 174.75 2yuq n ASN 41 N 4.01 -3.16 -3.74 -2.12 3.02 -1.09 -5.01 115.26 107.17 2yuq n ASN 41 Ca 0.16 -0.59 -0.13 0.00 -0.03 0.00 0.00 54.58 53.99 2yuq n ASN 41 Cb 0.36 -4.75 -0.14 0.00 -0.61 0.00 0.00 39.78 34.64 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 -4.98 0.16 0.69 3.52 0.41 -1.10 -5.01 118.70 112.39 2yuq s GLU 42 Ca 0.11 0.47 -0.11 0.00 -0.41 0.00 0.00 54.97 55.03 2yuq s GLU 42 Cb -0.01 -0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.20 2yuq s GLU 42 CO 0.67 -0.16 1.07 -1.21 -0.49 0.00 0.00 175.26 175.14 2yuq s GLU 43 N 1.21 2.98 -0.19 1.61 8.01 -1.26 -2.48 118.70 128.58 2yuq s GLU 43 Ca -0.09 0.66 -0.09 0.00 0.01 0.00 0.00 54.97 55.46 2yuq s GLU 43 Cb -0.11 -2.02 0.07 0.00 -4.31 0.00 0.00 34.13 27.76 2yuq s GLU 43 CO -0.07 -0.99 0.44 0.71 0.01 0.00 0.00 175.26 175.35 2yuq s TYR 44 N -3.22 -0.69 -0.11 1.61 1.51 0.52 -4.47 117.35 112.49 2yuq s TYR 44 Ca 0.58 1.42 -0.30 0.00 -1.01 0.00 0.00 57.07 57.76 2yuq s TYR 44 Cb -0.12 0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 42.01 2yuq s TYR 44 CO 0.53 -0.39 1.32 0.00 -1.11 0.00 0.00 175.55 175.90 2yuq s LEU 46 N 3.26 4.30 -0.20 0.00 2.96 -1.12 -0.36 118.68 127.51 2yuq s LEU 46 Ca 0.58 2.13 -0.18 0.00 -0.22 0.00 0.00 54.13 56.45 2yuq s LEU 46 Cb -0.25 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.75 2yuq s LEU 46 CO 0.19 -0.82 0.06 0.18 -1.32 0.00 0.00 176.35 174.64 2yuq n LEU 47 N 6.23 1.86 -3.46 -0.68 4.77 0.85 -4.94 117.00 121.64 2yuq n LEU 47 Ca 0.15 0.46 0.01 0.00 -0.03 0.00 0.00 56.01 56.60 2yuq n LEU 47 Cb 0.43 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 2yuq n LEU 47 CO 0.60 0.12 0.55 -0.62 -1.33 0.00 0.00 177.39 176.71 2yuq s ASP 48 N -6.64 -0.68 -0.18 -1.43 -1.08 -1.05 -5.03 116.67 100.59 2yuq s ASP 48 Ca -0.27 0.94 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 2yuq s ASP 48 Cb 0.06 1.75 0.16 0.00 -1.46 0.00 0.00 42.92 43.43 2yuq s ASP 48 CO 0.49 -0.13 1.72 -1.20 0.52 0.00 0.00 175.17 176.58 2yuq n SER 49 N 5.00 4.95 -0.28 -0.34 7.64 -1.26 -1.90 113.62 127.43 2yuq n SER 49 Ca -0.10 -2.69 0.15 0.00 1.01 0.00 0.00 58.87 57.24 2yuq n SER 49 Cb 0.52 -0.90 0.29 0.00 -1.01 0.00 0.00 64.21 63.12 2yuq n SER 49 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuq n SER 50 N 0.47 -0.01 -4.99 6.43 7.64 -1.26 -4.35 113.62 117.55 2yuq n SER 50 Ca 0.19 1.38 -0.19 0.00 1.01 0.00 0.00 58.87 61.26 2yuq n SER 50 Cb 0.67 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2yuq n SER 50 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2yuq s GLU 51 N -5.65 3.09 0.00 1.43 2.02 -1.23 -5.08 118.70 113.29 2yuq s GLU 51 Ca -0.10 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.86 2yuq s GLU 51 Cb 0.25 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2yuq s GLU 51 CO 0.64 0.05 0.00 -0.89 0.02 0.00 0.00 175.26 175.08 2yuq n ILE 52 N -1.64 0.00 -0.23 -1.63 -0.00 -1.26 -4.46 119.36 110.14 2yuq n ILE 52 Ca 0.00 0.45 -0.07 0.00 -0.00 0.00 0.00 62.75 63.14 2yuq n ILE 52 Cb 0.58 -1.38 0.04 0.00 -0.00 0.00 0.00 39.64 38.88 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 0.00 0.92 -3.74 1.39 3.86 -1.95 -3.40 115.15 112.23 2yuq h HIS 53 Ca 0.00 -0.04 -0.64 0.00 -1.16 0.00 0.00 60.37 58.53 2yuq h HIS 53 Cb 0.00 -0.29 -0.16 0.00 1.06 0.00 0.00 27.41 28.03 2yuq h HIS 53 CO 0.00 0.69 -0.29 -1.58 0.86 0.00 0.00 177.93 177.61 2yuq s TRP 54 N -5.73 3.23 -0.06 2.45 0.52 -1.26 0.30 118.94 118.39 2yuq s TRP 54 Ca -0.13 0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.27 2yuq s TRP 54 Cb 0.13 -2.57 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2yuq s TRP 54 CO 0.79 -0.27 -0.13 -1.58 0.02 0.00 0.00 176.95 175.77 2yuq s TRP 55 N 2.02 2.75 -0.19 -1.98 0.52 0.64 -3.48 118.94 119.20 2yuq s TRP 55 Ca 0.13 -0.19 -0.23 0.00 0.02 0.00 0.00 56.10 55.82 2yuq s TRP 55 Cb -0.16 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2yuq s TRP 55 CO 0.11 0.16 0.76 0.50 0.02 0.00 0.00 176.95 178.49 2yuq s ARG 56 N -0.60 4.24 0.13 4.98 3.52 -0.80 -2.13 118.95 128.30 2yuq s ARG 56 Ca 0.09 0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 56.50 2yuq s ARG 56 Cb -0.11 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 2yuq s ARG 56 CO 0.01 -0.34 0.14 0.14 -0.81 0.00 0.00 175.30 174.44 2yuq s VAL 57 N 2.21 0.10 0.00 7.11 -7.23 -1.15 -0.10 120.40 121.34 2yuq s VAL 57 Ca 0.34 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 58.88 2yuq s VAL 57 Cb -0.16 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 2yuq s VAL 57 CO 0.11 -0.46 -0.18 -1.58 -0.31 0.00 0.00 175.10 172.68 2yuq s GLN 58 N -4.00 1.39 0.93 4.82 0.74 0.51 -2.12 119.66 121.93 2yuq s GLN 58 Ca 0.19 -0.70 -0.13 0.00 0.05 0.00 0.00 55.36 54.77 2yuq s GLN 58 Cb 0.06 -1.37 0.15 0.00 1.10 0.00 0.00 33.01 32.95 2yuq s GLN 58 CO -0.00 0.37 1.16 0.34 -0.55 0.00 0.00 175.29 176.60 2yuq s ASP 59 N -0.62 3.36 0.24 6.67 2.15 0.81 -1.28 116.67 128.01 2yuq s ASP 59 Ca 0.06 0.86 -0.02 0.00 0.43 0.00 0.00 52.55 53.88 2yuq s ASP 59 Cb -0.07 -1.35 0.27 0.00 -0.30 0.00 0.00 42.92 41.47 2yuq s ASP 59 CO -0.00 -2.63 1.67 -0.09 -0.17 0.00 0.00 175.17 173.95 2yuq h ARG 60 N -1.55 0.68 0.10 4.34 2.43 -1.89 -3.23 114.38 115.26 2yuq h ARG 60 Ca -0.49 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.42 2yuq h ARG 60 Cb 1.32 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2yuq h ARG 60 CO 0.58 0.84 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.92 2yuq h ASN 61 N 0.60 -0.12 0.00 -3.80 4.21 -1.97 -3.47 115.58 111.03 2yuq h ASN 61 Ca 0.09 -0.44 0.00 0.00 1.21 0.00 0.00 56.30 57.16 2yuq h ASN 61 Cb 0.68 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 2yuq h ASN 61 CO 0.05 0.43 0.00 0.61 -1.29 0.00 0.00 177.43 177.23 2yuq n GLY 62 N 0.45 0.00 3.11 2.83 0.00 -1.22 -5.14 105.19 105.22 2yuq n GLY 62 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 3.21 0.48 1.61 3.76 -1.26 -4.88 115.29 118.22 2yuq s HIS 63 Ca 0.00 -2.12 0.06 0.00 -0.15 0.00 0.00 55.06 52.85 2yuq s HIS 63 Cb 0.00 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.71 2yuq s HIS 63 CO 0.00 -0.85 0.28 -1.83 -0.85 0.00 0.00 174.74 171.49 2yuq s GLU 64 N 1.17 2.27 0.00 1.40 4.04 -1.26 -0.13 118.70 126.18 2yuq s GLU 64 Ca -0.06 -1.96 0.00 0.00 0.04 0.00 0.00 54.97 52.98 2yuq s GLU 64 Cb -0.19 -2.02 0.00 0.00 0.02 0.00 0.00 34.13 31.94 2yuq s GLU 64 CO -0.05 -0.38 0.00 0.41 -1.84 0.00 0.00 175.26 173.40 2yuq n GLY 65 N -1.51 -1.22 3.51 -3.83 0.00 -0.90 -4.54 105.19 96.70 2yuq n GLY 65 Ca -0.03 -1.19 -0.42 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 -3.00 3.21 0.17 1.61 2.02 -1.07 -2.93 117.35 117.36 2yuq s TYR 66 Ca 0.00 -0.28 0.10 0.00 -0.37 0.00 0.00 57.07 56.53 2yuq s TYR 66 Cb 0.00 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 2yuq s TYR 66 CO 0.00 -0.51 -0.23 0.14 -1.57 0.00 0.00 175.55 173.39 2yuq s VAL 67 N 1.89 2.18 -0.47 0.71 -7.23 -0.90 -3.18 120.40 113.39 2yuq s VAL 67 Ca 0.09 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.03 2yuq s VAL 67 Cb -0.17 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2yuq s VAL 67 CO 0.11 -0.14 1.78 -2.16 -0.31 0.00 0.00 175.10 174.38 2yuq s PRO 68 N -2.59 3.04 0.29 4.82 0.04 -1.26 -0.26 135.00 139.08 2yuq s PRO 68 Ca 0.18 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.23 2yuq s PRO 68 Cb -0.08 -4.26 0.74 0.00 0.04 0.00 0.00 34.50 30.94 2yuq s PRO 68 CO 0.08 -2.22 1.46 -1.13 0.04 0.00 0.00 177.00 175.23 2yuq n SER 69 N 11.23 -0.09 -0.29 6.66 3.41 0.15 -0.10 113.62 134.59 2yuq n SER 69 Ca 0.21 1.59 0.04 0.00 -0.26 0.00 0.00 58.87 60.44 2yuq n SER 69 Cb 0.49 -0.59 0.10 0.00 -0.26 0.00 0.00 64.21 63.95 2yuq n SER 69 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yuq n SER 70 N -5.37 -0.32 -0.29 4.04 3.41 -1.26 0.22 113.62 114.05 2yuq n SER 70 Ca 0.23 1.36 -0.06 0.00 -0.26 0.00 0.00 58.87 60.14 2yuq n SER 70 Cb 0.74 -0.39 0.06 0.00 -0.26 0.00 0.00 64.21 64.36 2yuq n SER 70 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2yuq h TYR 71 N 0.00 1.17 -3.92 7.33 -1.99 -0.87 -3.43 116.97 115.26 2yuq h TYR 71 Ca 0.36 -0.07 -0.50 0.00 2.00 0.00 0.00 58.73 60.52 2yuq h TYR 71 Cb 0.56 -0.36 0.04 0.00 2.00 0.00 0.00 36.73 38.97 2yuq h TYR 71 CO -0.62 0.87 0.49 -0.51 -0.00 0.00 0.00 178.16 178.38 2yuq s LEU 72 N -9.78 4.25 0.00 3.88 1.43 0.60 -0.96 118.68 118.10 2yuq s LEU 72 Ca -0.13 2.29 0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2yuq s LEU 72 Cb 0.15 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 2yuq s LEU 72 CO 0.83 -0.55 -0.10 0.68 0.23 0.00 0.00 176.35 177.44 2yuq s VAL 73 N -1.41 0.82 -0.53 -1.59 -7.23 0.10 -4.84 120.40 105.72 2yuq s VAL 73 Ca 0.55 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 59.91 2yuq s VAL 73 Cb -0.30 -0.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 2yuq s VAL 73 CO 0.38 0.17 1.66 -0.70 -0.31 0.00 0.00 175.10 176.30 2yuq s GLU 74 N -0.41 3.06 -0.47 4.82 2.12 -1.26 -1.43 118.70 125.13 2yuq s GLU 74 Ca 0.03 0.72 -0.44 0.00 0.36 0.00 0.00 54.97 55.64 2yuq s GLU 74 Cb -0.05 -4.24 -0.19 0.00 0.26 0.00 0.00 34.13 29.92 2yuq s GLU 74 CO -0.00 -2.22 1.66 1.17 -0.54 0.00 0.00 175.26 175.33 2yuq n LYS 75 N 8.81 0.00 -4.96 4.30 4.81 -1.12 -4.92 118.16 125.07 2yuq n LYS 75 Ca 0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.31 2yuq n LYS 75 Cb 0.50 -1.42 -0.14 0.00 0.02 0.00 0.00 35.03 33.98 2yuq n LYS 75 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2yuq s SER 76 N 3.67 3.34 0.00 3.14 0.15 -1.26 -5.01 113.70 117.73 2yuq s SER 76 Ca 1.03 -0.49 0.15 0.00 0.70 0.00 0.00 55.95 57.34 2yuq s SER 76 Cb -1.42 -0.42 0.69 0.00 -1.71 0.00 0.00 66.02 63.16 2yuq s SER 76 CO 0.73 0.28 1.43 -0.81 1.20 0.00 0.00 173.24 176.07 2yuq n PRO 77 N 1.95 0.12 -0.77 5.44 -0.04 -1.26 -4.84 135.00 135.61 2yuq n PRO 77 Ca -0.17 0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 2yuq n PRO 77 Cb 0.52 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.61 2yuq n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yuq n ASN 78 N -1.37 -2.00 -3.55 3.54 5.15 -1.26 -3.36 115.26 112.40 2yuq n ASN 78 Ca 0.06 0.27 -0.22 0.00 -0.60 0.00 0.00 54.58 54.09 2yuq n ASN 78 Cb 0.14 -1.19 0.08 0.00 -0.53 0.00 0.00 39.78 38.28 2yuq n ASN 78 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2yuq n ASN 79 N -1.56 -4.82 -4.93 1.20 3.02 -1.26 -4.99 115.26 101.92 2yuq n ASN 79 Ca 0.06 -0.58 -0.27 0.00 -0.03 0.00 0.00 54.58 53.76 2yuq n ASN 79 Cb 0.55 -5.02 -0.03 0.00 -0.61 0.00 0.00 39.78 34.66 2yuq n ASN 79 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2yuq s LEU 80 N -6.99 4.23 -0.96 3.41 0.05 -1.21 -4.41 118.68 112.79 2yuq s LEU 80 Ca 0.39 0.38 -0.06 0.00 0.05 0.00 0.00 54.13 54.88 2yuq s LEU 80 Cb -0.17 -3.14 0.01 0.00 -2.05 0.00 0.00 46.19 40.83 2yuq s LEU 80 CO 0.73 -0.04 0.84 1.21 -0.55 0.00 0.00 176.35 178.54 2yuq n GLU 81 N -0.71 -5.67 -0.99 1.48 2.13 -1.26 -4.92 120.64 110.70 2yuq n GLU 81 Ca -0.05 0.59 -0.08 0.00 0.66 0.00 0.00 57.16 58.28 2yuq n GLU 81 Cb 0.54 -4.90 0.26 0.00 0.27 0.00 0.00 31.44 27.61 2yuq n GLU 81 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2yuq n THR 82 N -4.28 2.89 -3.63 6.31 -1.04 -1.26 -4.82 114.28 108.45 2yuq n THR 82 Ca 0.01 -1.88 -0.39 0.00 -2.04 0.00 0.00 64.05 59.75 2yuq n THR 82 Cb 0.54 -0.37 -0.08 0.00 -1.82 0.00 0.00 70.33 68.61 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 -3.08 3.50 -0.10 -1.42 2.02 -1.26 -4.94 117.35 112.06 2yuq s TYR 83 Ca 0.53 -2.59 -0.02 0.00 -0.37 0.00 0.00 57.07 54.62 2yuq s TYR 83 Cb 0.44 -3.33 -0.02 0.00 -0.40 0.00 0.00 41.96 38.65 2yuq s TYR 83 CO 0.11 -0.87 2.46 -0.85 -1.57 0.00 0.00 175.55 174.83 2yuq n GLU 84 N 3.51 1.52 0.00 -0.62 0.00 -1.26 -5.28 120.64 118.50 2yuq n GLU 84 Ca 0.10 -0.76 0.02 0.00 0.00 0.00 0.00 57.16 56.53 2yuq n GLU 84 Cb 0.40 -1.46 0.02 0.00 0.00 0.00 0.00 31.44 30.40 2yuq n GLU 84 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00