#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysq s SER 2 N 0.00 -1.41 0.30 1.61 0.01 -1.26 -5.17 113.70 107.79 2ysq s SER 2 Ca 0.00 0.61 0.07 0.00 1.31 0.00 0.00 55.95 57.95 2ysq s SER 2 Cb 0.00 2.07 -0.06 0.00 0.21 0.00 0.00 66.02 68.24 2ysq s SER 2 CO 0.00 -0.26 -0.06 -0.44 0.41 0.00 0.00 173.24 172.89 2ysq s SER 3 N 2.86 3.06 -0.32 2.44 0.01 -1.26 -5.12 113.70 115.36 2ysq s SER 3 Ca 0.17 -1.21 -0.09 0.00 1.31 0.00 0.00 55.95 56.13 2ysq s SER 3 Cb -0.13 -0.22 0.19 0.00 0.21 0.00 0.00 66.02 66.07 2ysq s SER 3 CO -0.22 -0.32 1.07 -0.83 0.41 0.00 0.00 173.24 173.35 2ysq s GLY 4 N -3.50 -1.62 -0.14 3.44 0.00 -1.26 -5.16 107.32 99.08 2ysq s GLY 4 Ca 0.31 1.20 -0.16 0.00 0.00 0.00 0.00 44.72 46.07 2ysq s GLY 4 CO 0.14 4.33 0.43 -0.45 0.00 0.00 0.00 173.10 177.54 2ysq s SER 5 N 1.81 -0.43 -0.28 1.64 0.15 -1.26 -5.16 113.70 110.17 2ysq s SER 5 Ca 0.16 0.79 -0.21 0.00 0.70 0.00 0.00 55.95 57.39 2ysq s SER 5 Cb 0.05 0.82 0.09 0.00 -1.71 0.00 0.00 66.02 65.26 2ysq s SER 5 CO -0.14 -0.20 0.77 -0.44 1.20 0.00 0.00 173.24 174.42 2ysq s SER 6 N -0.00 -0.76 0.00 5.45 0.01 -1.26 -5.05 113.70 112.09 2ysq s SER 6 Ca -0.02 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2ysq s SER 6 Cb -0.03 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2ysq s SER 6 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2ysq n GLY 7 N 3.32 0.27 3.72 3.44 0.00 -1.26 -5.12 105.19 109.56 2ysq n GLY 7 Ca -0.16 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2ysq n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysq s ASP 8 N -1.00 6.71 0.56 1.61 1.01 -1.26 -4.95 116.67 119.34 2ysq s ASP 8 Ca 0.00 2.48 -0.20 0.00 0.71 0.00 0.00 52.55 55.54 2ysq s ASP 8 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 2ysq s ASP 8 CO 0.00 -0.73 1.06 -1.54 0.21 0.00 0.00 175.17 174.17 2ysq n SER 9 N 3.83 1.30 -4.69 0.27 3.41 -1.26 -4.88 113.62 111.60 2ysq n SER 9 Ca 0.12 0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 59.20 2ysq n SER 9 Cb 0.40 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.90 2ysq n SER 9 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ysq s ILE 10 N -1.42 3.04 0.10 -1.33 1.09 -1.26 -5.00 121.20 116.43 2ysq s ILE 10 Ca 0.73 0.52 -0.07 0.00 -1.10 0.00 0.00 60.65 60.73 2ysq s ILE 10 Cb -0.44 -3.34 -0.06 0.00 -1.06 0.00 0.00 42.46 37.57 2ysq s ILE 10 CO 0.49 0.00 0.38 -0.69 -0.10 0.00 0.00 174.94 175.02 2ysq s VAL 11 N 2.48 5.15 -0.06 2.92 1.01 -1.23 -5.03 120.40 125.65 2ysq s VAL 11 Ca 0.73 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 2ysq s VAL 11 Cb -0.40 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2ysq s VAL 11 CO 0.32 0.17 0.12 -0.44 0.00 0.00 0.00 175.10 175.27 2ysq s SER 12 N -2.09 0.01 0.13 3.32 0.01 -1.26 -1.38 113.70 112.44 2ysq s SER 12 Ca 0.36 0.25 0.09 0.00 1.31 0.00 0.00 55.95 57.96 2ysq s SER 12 Cb -0.13 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 2ysq s SER 12 CO 0.21 -0.15 -0.21 0.00 0.41 0.00 0.00 173.24 173.50 2ysq s ALA 13 N 1.26 1.94 -0.18 1.44 0.00 -1.16 -0.75 121.76 124.30 2ysq s ALA 13 Ca -0.08 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 2ysq s ALA 13 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2ysq s ALA 13 CO -0.05 0.34 0.04 -2.00 0.00 0.00 0.00 175.76 174.09 2ysq s GLU 14 N -2.20 3.92 -0.44 0.00 2.12 0.44 -2.03 118.70 120.50 2ysq s GLU 14 Ca 0.10 -0.38 -0.27 0.00 0.36 0.00 0.00 54.97 54.78 2ysq s GLU 14 Cb -0.09 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2ysq s GLU 14 CO 0.05 0.26 2.06 0.00 -0.54 0.00 0.00 175.26 177.10 2ysq s ALA 15 N 0.38 2.27 -0.07 6.30 0.00 -1.03 -2.64 121.76 126.98 2ysq s ALA 15 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 51.96 52.11 2ysq s ALA 15 Cb -0.13 -4.21 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 2ysq s ALA 15 CO 0.01 -3.57 1.29 -0.39 0.00 0.00 0.00 175.76 173.09 2ysq h VAL 16 N 7.15 1.07 -3.42 0.00 -1.51 -1.92 -1.27 116.25 116.35 2ysq h VAL 16 Ca -0.30 -2.57 -0.50 0.00 -1.23 0.00 0.00 66.70 62.10 2ysq h VAL 16 Cb 1.21 2.50 -0.34 0.00 -2.13 0.00 0.00 31.29 32.53 2ysq h VAL 16 CO 1.11 0.61 -0.81 0.26 -1.23 0.00 0.00 177.57 177.51 2ysq s TRP 17 N -2.87 1.36 0.23 5.19 0.52 -1.24 -4.83 118.94 117.30 2ysq s TRP 17 Ca 0.02 -0.50 -0.31 0.00 0.02 0.00 0.00 56.10 55.33 2ysq s TRP 17 Cb 0.08 -1.02 -0.11 0.00 -1.15 0.00 0.00 33.47 31.28 2ysq s TRP 17 CO 0.78 -0.27 1.62 0.16 0.02 0.00 0.00 176.95 179.26 2ysq s ASP 18 N 0.72 6.45 -0.83 2.95 -4.77 -1.26 -4.50 116.67 115.43 2ysq s ASP 18 Ca -0.14 2.83 0.01 0.00 -3.30 0.00 0.00 52.55 51.95 2ysq s ASP 18 Cb -0.16 -2.61 0.20 0.00 -1.09 0.00 0.00 42.92 39.26 2ysq s ASP 18 CO 0.03 -0.90 0.68 -2.28 0.70 0.00 0.00 175.17 173.41 2ysq s HIS 19 N 0.63 3.80 -0.71 2.11 2.46 -1.02 -4.91 115.29 117.64 2ysq s HIS 19 Ca 0.68 -3.16 -0.25 0.00 0.47 0.00 0.00 55.06 52.81 2ysq s HIS 19 Cb -0.47 -3.05 -0.20 0.00 -0.13 0.00 0.00 32.58 28.73 2ysq s HIS 19 CO 0.39 -0.66 1.87 1.33 -2.47 0.00 0.00 174.74 175.19 2ysq n VAL 20 N 2.17 1.29 -0.23 0.89 0.24 -1.26 -3.73 118.33 117.70 2ysq n VAL 20 Ca 0.21 -1.20 0.02 0.00 -2.04 0.00 0.00 64.34 61.34 2ysq n VAL 20 Cb 0.36 -2.19 0.14 0.00 -1.47 0.00 0.00 33.84 30.68 2ysq n VAL 20 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2ysq h THR 21 N 5.12 0.69 -4.44 3.34 1.35 -1.88 -3.46 112.91 113.63 2ysq h THR 21 Ca 0.31 -0.13 -0.25 0.00 -0.55 0.00 0.00 66.41 65.78 2ysq h THR 21 Cb 0.76 0.27 0.11 0.00 -1.73 0.00 0.00 68.15 67.55 2ysq h THR 21 CO 1.75 0.07 -0.50 0.80 -0.25 0.00 0.00 175.52 177.39 2ysq n MET 22 N -5.03 -5.10 -3.21 4.72 1.56 -1.26 -5.01 117.12 103.80 2ysq n MET 22 Ca 0.11 0.58 0.04 0.00 -0.27 0.00 0.00 57.70 58.17 2ysq n MET 22 Cb 0.34 -4.84 -0.02 0.00 2.15 0.00 0.00 33.22 30.85 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2ysq s ALA 23 N -3.23 -3.23 0.27 -5.12 0.00 -1.26 -5.04 121.76 104.14 2ysq s ALA 23 Ca 0.22 1.62 -0.08 0.00 0.00 0.00 0.00 51.96 53.71 2ysq s ALA 23 Cb -0.09 -2.37 0.45 0.00 0.00 0.00 0.00 23.12 21.10 2ysq s ALA 23 CO 0.51 -1.29 1.58 -0.91 0.00 0.00 0.00 175.76 175.64 2ysq h ASN 24 N 7.79 -0.79 -0.95 0.00 4.21 -2.02 0.29 115.58 124.12 2ysq h ASN 24 Ca -0.14 0.27 0.22 0.00 1.21 0.00 0.00 56.30 57.86 2ysq h ASN 24 Cb 1.16 0.55 -0.18 0.00 -1.12 0.00 0.00 38.32 38.73 2ysq h ASN 24 CO -0.03 -0.30 -0.11 -0.09 -1.29 0.00 0.00 177.43 175.61 2ysq h ARG 25 N 0.01 0.01 -6.73 0.81 2.43 -1.99 -3.39 114.38 105.53 2ysq h ARG 25 Ca 0.46 -0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 59.12 2ysq h ARG 25 Cb 0.73 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2ysq h ARG 25 CO -0.93 0.01 0.06 -1.21 -1.51 0.00 0.00 179.97 176.39 2ysq s GLU 26 N -6.14 3.84 -0.62 0.20 2.02 0.10 -4.77 118.70 113.32 2ysq s GLU 26 Ca -0.14 0.47 -0.28 0.00 0.02 0.00 0.00 54.97 55.04 2ysq s GLU 26 Cb 0.27 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 32.06 2ysq s GLU 26 CO 0.77 0.09 1.34 -1.17 0.02 0.00 0.00 175.26 176.31 2ysq s LEU 27 N -3.42 3.33 0.33 1.80 0.20 -1.15 -4.73 118.68 115.05 2ysq s LEU 27 Ca 0.51 0.01 -0.18 0.00 0.69 0.00 0.00 54.13 55.17 2ysq s LEU 27 Cb -0.10 -2.90 -0.09 0.00 -0.43 0.00 0.00 46.19 42.66 2ysq s LEU 27 CO 0.25 -1.73 0.80 0.00 -0.29 0.00 0.00 176.35 175.38 2ysq s ALA 28 N 5.85 3.26 0.08 5.97 0.00 -1.26 -4.82 121.76 130.83 2ysq s ALA 28 Ca 0.45 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 2ysq s ALA 28 Cb -0.09 -2.89 0.09 0.00 0.00 0.00 0.00 23.12 20.23 2ysq s ALA 28 CO 0.22 0.28 1.12 -0.59 0.00 0.00 0.00 175.76 176.78 2ysq s PHE 29 N -1.93 -0.07 0.10 0.00 -0.12 -1.24 -5.01 117.98 109.70 2ysq s PHE 29 Ca 0.54 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.30 2ysq s PHE 29 Cb -0.11 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2ysq s PHE 29 CO 0.17 -0.58 -0.09 0.15 -0.05 0.00 0.00 175.22 174.83 2ysq s LYS 30 N -2.79 0.84 0.16 1.99 1.02 -1.26 -2.44 119.74 117.25 2ysq s LYS 30 Ca 0.14 -1.22 -0.33 0.00 0.02 0.00 0.00 55.97 54.58 2ysq s LYS 30 Cb 0.01 -0.40 -0.16 0.00 -0.52 0.00 0.00 37.83 36.76 2ysq s LYS 30 CO -0.00 0.04 1.05 0.00 -0.92 0.00 0.00 175.35 175.52 2ysq n ALA 31 N 0.33 -1.49 0.00 5.17 0.00 -1.26 -2.08 120.51 121.19 2ysq n ALA 31 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2ysq n ALA 31 Cb 0.59 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2ysq n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ysq n GLY 32 N 1.90 1.92 3.66 0.00 0.00 -0.48 -4.98 105.19 107.22 2ysq n GLY 32 Ca 0.16 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2ysq n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysq s ASP 33 N -0.03 7.06 -0.21 1.61 1.01 -0.88 -4.77 116.67 120.45 2ysq s ASP 33 Ca 0.00 1.32 -0.17 0.00 0.71 0.00 0.00 52.55 54.41 2ysq s ASP 33 Cb 0.00 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2ysq s ASP 33 CO 0.00 -0.59 0.47 0.54 0.21 0.00 0.00 175.17 175.80 2ysq s VAL 34 N 2.88 5.14 0.07 -1.27 0.11 -1.26 -2.47 120.40 123.60 2ysq s VAL 34 Ca 0.42 0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 60.20 2ysq s VAL 34 Cb -0.16 -3.79 -0.06 0.00 -1.53 0.00 0.00 36.38 30.84 2ysq s VAL 34 CO 0.08 0.19 0.41 -0.63 -3.33 0.00 0.00 175.10 171.82 2ysq s ILE 35 N 1.63 5.07 -0.46 7.04 1.09 -0.86 -4.91 121.20 129.80 2ysq s ILE 35 Ca 0.21 0.54 -0.21 0.00 -1.10 0.00 0.00 60.65 60.09 2ysq s ILE 35 Cb -0.15 -3.66 0.03 0.00 -1.06 0.00 0.00 42.46 37.62 2ysq s ILE 35 CO 0.09 0.33 0.70 -0.75 -0.10 0.00 0.00 174.94 175.21 2ysq s LYS 36 N -1.78 3.30 -0.31 2.79 2.20 -0.41 -3.00 119.74 122.52 2ysq s LYS 36 Ca 0.32 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2ysq s LYS 36 Cb -0.14 -3.97 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 2ysq s LYS 36 CO 0.17 -1.09 1.24 0.08 -0.36 0.00 0.00 175.35 175.39 2ysq s VAL 37 N 3.00 4.23 -0.09 4.02 1.01 -0.48 -1.17 120.40 130.91 2ysq s VAL 37 Ca 0.24 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 2ysq s VAL 37 Cb -0.14 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 2ysq s VAL 37 CO 0.19 -0.51 -0.04 -0.07 0.00 0.00 0.00 175.10 174.67 2ysq h LEU 38 N 10.72 0.00 -8.43 3.92 3.38 -1.80 -3.25 115.31 119.85 2ysq h LEU 38 Ca -0.25 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.08 2ysq h LEU 38 Cb 1.09 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.53 2ysq h LEU 38 CO 1.04 0.47 -0.87 -1.81 0.09 0.00 0.00 178.44 177.36 2ysq s ASP 39 N -5.14 2.76 -0.28 -0.43 1.01 -1.26 -4.87 116.67 108.46 2ysq s ASP 39 Ca -0.04 -0.45 0.16 0.00 0.71 0.00 0.00 52.55 52.94 2ysq s ASP 39 Cb 0.00 -0.65 0.49 0.00 1.01 0.00 0.00 42.92 43.77 2ysq s ASP 39 CO 0.05 0.23 1.13 0.00 0.21 0.00 0.00 175.17 176.79 2ysq n ALA 40 N 2.89 3.59 0.06 5.23 0.00 -1.26 -2.99 120.51 128.02 2ysq n ALA 40 Ca -0.17 -3.20 -0.21 0.00 0.00 0.00 0.00 53.44 49.86 2ysq n ALA 40 Cb 0.52 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 19.18 2ysq n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ysq h SER 41 N 2.49 0.83 -2.78 0.00 0.87 -1.96 -3.46 113.55 109.53 2ysq h SER 41 Ca 0.06 -0.78 -0.32 0.00 -1.23 0.00 0.00 61.79 59.51 2ysq h SER 41 Cb 1.34 -0.26 0.18 0.00 -0.44 0.00 0.00 62.40 63.23 2ysq h SER 41 CO 0.43 1.51 -0.09 0.59 -0.53 0.00 0.00 176.83 178.74 2ysq n ASN 42 N -3.90 -3.47 -4.71 6.23 3.02 -1.26 -5.00 115.26 106.17 2ysq n ASN 42 Ca -0.12 -0.84 -0.35 0.00 -0.03 0.00 0.00 54.58 53.24 2ysq n ASN 42 Cb 0.89 -0.87 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 2ysq n ASN 42 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ysq s LYS 43 N -4.90 4.10 0.00 3.52 2.20 -1.26 -4.43 119.74 118.97 2ysq s LYS 43 Ca 0.59 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2ysq s LYS 43 Cb -0.09 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2ysq s LYS 43 CO 0.49 0.32 0.00 -0.25 -0.36 0.00 0.00 175.35 175.54 2ysq n ASP 44 N 3.45 -0.79 -3.44 1.43 9.92 -1.26 -4.81 116.55 121.06 2ysq n ASP 44 Ca -0.16 0.39 -0.17 0.00 -0.53 0.00 0.00 54.79 54.32 2ysq n ASP 44 Cb 0.52 -0.86 -0.11 0.00 -0.64 0.00 0.00 41.12 40.03 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2ysq s TRP 45 N -1.73 -0.42 0.11 1.24 0.52 -1.26 -4.19 118.94 113.22 2ysq s TRP 45 Ca 0.00 0.14 0.06 0.00 0.02 0.00 0.00 56.10 56.32 2ysq s TRP 45 Cb 0.00 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 31.93 2ysq s TRP 45 CO 0.00 -0.75 -0.15 -1.58 0.02 0.00 0.00 176.95 174.49 2ysq s TRP 46 N 2.37 1.42 0.19 -1.98 0.51 -1.26 -4.15 118.94 116.04 2ysq s TRP 46 Ca 0.09 -0.52 -0.30 0.00 -2.12 0.00 0.00 56.10 53.25 2ysq s TRP 46 Cb -0.15 -0.75 -0.08 0.00 -0.81 0.00 0.00 33.47 31.68 2ysq s TRP 46 CO -0.21 0.14 0.94 -0.46 -0.51 0.00 0.00 176.95 176.85 2ysq s TRP 47 N -1.87 3.93 0.02 -1.98 -0.11 -1.16 -4.08 118.94 113.69 2ysq s TRP 47 Ca 0.07 1.87 0.02 0.00 1.22 0.00 0.00 56.10 59.28 2ysq s TRP 47 Cb -0.06 -3.00 -0.04 0.00 -1.50 0.00 0.00 33.47 28.87 2ysq s TRP 47 CO 0.03 0.37 0.01 0.20 -4.62 0.00 0.00 176.95 172.94 2ysq s GLY 48 N -0.77 1.89 -0.13 5.86 0.00 -0.61 -2.86 107.32 110.71 2ysq s GLY 48 Ca 0.43 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.14 2ysq s GLY 48 CO 0.31 -0.88 0.03 1.62 0.00 0.00 0.00 173.10 174.18 2ysq s GLN 49 N -1.75 0.52 0.19 2.90 0.74 -0.32 -2.45 119.66 119.49 2ysq s GLN 49 Ca 0.21 -0.11 0.10 0.00 0.05 0.00 0.00 55.36 55.61 2ysq s GLN 49 Cb -0.12 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.44 2ysq s GLN 49 CO 0.12 -0.49 -0.13 0.42 -0.55 0.00 0.00 175.29 174.66 2ysq s ILE 50 N 1.96 2.95 0.07 -2.34 1.01 0.23 -1.29 121.20 123.79 2ysq s ILE 50 Ca 0.02 -1.81 -0.14 0.00 0.00 0.00 0.00 60.65 58.72 2ysq s ILE 50 Cb -0.15 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 2ysq s ILE 50 CO -0.07 -0.14 0.83 0.47 0.00 0.00 0.00 174.94 176.03 2ysq n ASP 51 N 0.01 -0.47 -0.10 3.58 8.00 -1.26 -3.16 116.55 123.14 2ysq n ASP 51 Ca -0.11 0.94 -0.17 0.00 0.71 0.00 0.00 54.79 56.16 2ysq n ASP 51 Cb 0.56 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 2ysq n ASP 51 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ysq n ASP 52 N -4.22 2.09 -4.76 -2.24 8.00 -1.26 -4.98 116.55 109.17 2ysq n ASP 52 Ca 0.01 0.03 -0.39 0.00 0.71 0.00 0.00 54.79 55.15 2ysq n ASP 52 Cb 0.12 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ysq s GLU 53 N -2.40 4.51 -0.22 -1.24 2.02 -1.19 -5.05 118.70 115.13 2ysq s GLU 53 Ca -0.28 1.69 -0.21 0.00 0.02 0.00 0.00 54.97 56.20 2ysq s GLU 53 Cb 0.09 -3.00 0.06 0.00 0.10 0.00 0.00 34.13 31.38 2ysq s GLU 53 CO 0.43 0.13 0.60 -1.21 0.02 0.00 0.00 175.26 175.22 2ysq s GLU 54 N -1.75 0.69 0.00 1.61 2.02 -1.26 0.76 118.70 120.78 2ysq s GLU 54 Ca 0.48 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.30 2ysq s GLU 54 Cb -0.29 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.28 2ysq s GLU 54 CO 0.36 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2ysq n GLY 55 N 2.79 -0.19 3.89 -1.39 0.00 -1.03 -4.78 105.19 104.48 2ysq n GLY 55 Ca -0.14 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2ysq n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ysq s TRP 56 N -4.00 3.21 -0.18 1.61 0.52 -1.26 -1.57 118.94 117.27 2ysq s TRP 56 Ca 0.00 -0.11 -0.30 0.00 0.02 0.00 0.00 56.10 55.71 2ysq s TRP 56 Cb 0.00 -1.56 0.13 0.00 -1.15 0.00 0.00 33.47 30.88 2ysq s TRP 56 CO 0.00 0.40 1.01 -0.59 0.02 0.00 0.00 176.95 177.79 2ysq s PHE 57 N -2.10 -0.37 0.21 -1.98 -0.71 -1.26 -2.91 117.98 108.86 2ysq s PHE 57 Ca 0.35 0.67 -0.30 0.00 -1.04 0.00 0.00 56.93 56.62 2ysq s PHE 57 Cb -0.08 0.44 -0.09 0.00 -1.21 0.00 0.00 43.02 42.08 2ysq s PHE 57 CO 0.27 -0.32 1.30 -1.25 -1.34 0.00 0.00 175.22 173.87 2ysq s PRO 58 N -0.96 4.40 -0.14 1.99 0.04 -1.26 -4.38 135.00 134.69 2ysq s PRO 58 Ca -0.01 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2ysq s PRO 58 Cb -0.01 -3.19 -0.26 0.00 0.04 0.00 0.00 34.50 31.09 2ysq s PRO 58 CO 0.01 -0.22 0.72 0.00 0.04 0.00 0.00 177.00 177.55 2ysq h ALA 59 N 5.16 0.02 -0.00 8.56 0.00 -1.89 -3.29 119.26 127.82 2ysq h ALA 59 Ca -0.45 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2ysq h ALA 59 Cb 1.22 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ysq h ALA 59 CO 0.76 0.08 0.34 1.03 0.00 0.00 0.00 179.25 181.45 2ysq h SER 60 N -0.98 0.00 1.03 0.00 0.87 -1.93 0.52 113.55 113.06 2ysq h SER 60 Ca -0.04 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.35 2ysq h SER 60 Cb 1.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2ysq h SER 60 CO -0.01 0.00 -0.81 -0.26 -0.53 0.00 0.00 176.83 175.21 2ysq h PHE 61 N 0.00 0.00 -3.02 2.24 -1.00 -1.97 -3.45 116.94 109.74 2ysq h PHE 61 Ca 0.00 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.15 2ysq h PHE 61 Cb 0.67 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.08 2ysq h PHE 61 CO 0.00 0.81 -0.75 0.14 -1.61 0.00 0.00 178.31 176.90 2ysq s VAL 62 N -2.94 2.92 0.08 -0.55 -7.23 0.18 -3.68 120.40 109.19 2ysq s VAL 62 Ca 0.01 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.44 2ysq s VAL 62 Cb 0.10 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2ysq s VAL 62 CO 0.79 -0.13 -0.04 0.00 -0.31 0.00 0.00 175.10 175.41 2ysq s ARG 63 N -2.82 2.40 0.73 4.82 1.70 -1.08 -4.85 118.95 119.84 2ysq s ARG 63 Ca 0.24 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.50 2ysq s ARG 63 Cb -0.08 -2.45 0.03 0.00 -0.57 0.00 0.00 34.95 31.87 2ysq s ARG 63 CO 0.14 0.54 1.07 -0.51 -1.08 0.00 0.00 175.30 175.45 2ysq s LEU 64 N -2.16 2.98 -0.01 -1.89 1.43 -1.26 -0.42 118.68 117.34 2ysq s LEU 64 Ca 0.23 1.56 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 2ysq s LEU 64 Cb -0.11 -4.35 -0.33 0.00 0.03 0.00 0.00 46.19 41.42 2ysq s LEU 64 CO 0.15 -1.65 0.82 -0.50 0.23 0.00 0.00 176.35 175.40 2ysq h TRP 65 N -0.86 0.85 -3.29 0.29 4.06 -1.32 -3.45 115.95 112.23 2ysq h TRP 65 Ca -0.45 -0.62 -0.56 0.00 2.06 0.00 0.00 58.89 59.33 2ysq h TRP 65 Cb 1.23 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.31 2ysq h TRP 65 CO 0.58 1.63 0.48 0.54 -3.56 0.00 0.00 178.44 178.10 2ysq s VAL 66 N -2.59 4.83 0.57 1.49 0.11 -1.26 -5.01 120.40 118.54 2ysq s VAL 66 Ca -0.13 1.94 -0.20 0.00 -2.93 0.00 0.00 61.98 60.66 2ysq s VAL 66 Cb 0.05 -4.27 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 2ysq s VAL 66 CO 0.90 0.05 1.11 -3.20 -3.33 0.00 0.00 175.10 170.62 2ysq n ASN 67 N 4.81 1.47 -3.40 3.54 5.15 -1.26 -5.02 115.26 120.54 2ysq n ASN 67 Ca 0.07 0.88 -0.10 0.00 -0.60 0.00 0.00 54.58 54.83 2ysq n ASN 67 Cb 0.49 -1.45 -0.09 0.00 -0.53 0.00 0.00 39.78 38.20 2ysq n ASN 67 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2ysq s GLN 68 N -2.74 0.32 -1.52 1.20 0.74 -1.26 -4.92 119.66 111.48 2ysq s GLN 68 Ca 0.74 0.53 -0.17 0.00 0.05 0.00 0.00 55.36 56.51 2ysq s GLN 68 Cb -0.43 -0.51 0.17 0.00 1.10 0.00 0.00 33.01 33.34 2ysq s GLN 68 CO 0.48 -0.60 0.42 0.39 -0.55 0.00 0.00 175.29 175.43 2ysq n GLU 69 N 5.36 -0.79 -1.61 1.67 1.02 -1.26 -4.73 120.64 120.30 2ysq n GLU 69 Ca -0.04 0.11 -0.49 0.00 -0.02 0.00 0.00 57.16 56.72 2ysq n GLU 69 Cb 0.50 -3.76 -0.04 0.00 -0.02 0.00 0.00 31.44 28.12 2ysq n GLU 69 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ysq n ASP 70 N -1.96 1.87 -4.71 1.62 2.03 -1.26 -4.88 116.55 109.25 2ysq n ASP 70 Ca 0.04 1.13 -0.42 0.00 0.52 0.00 0.00 54.79 56.06 2ysq n ASP 70 Cb 0.40 -1.27 -0.03 0.00 -0.72 0.00 0.00 41.12 39.50 2ysq n ASP 70 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2ysq s GLU 71 N -0.01 4.33 0.62 -0.67 2.12 -1.26 -4.97 118.70 118.86 2ysq s GLU 71 Ca 0.76 2.03 -0.19 0.00 0.36 0.00 0.00 54.97 57.93 2ysq s GLU 71 Cb -0.82 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 2ysq s GLU 71 CO 0.49 -0.42 1.20 1.55 -0.54 0.00 0.00 175.26 177.54 2ysq n VAL 72 N 3.97 4.40 -1.60 3.70 3.14 -1.26 -4.83 118.33 125.84 2ysq n VAL 72 Ca 0.11 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.55 2ysq n VAL 72 Cb 0.43 -1.41 -0.04 0.00 -1.06 0.00 0.00 33.84 31.76 2ysq n VAL 72 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2ysq n GLU 73 N -1.48 2.03 -2.04 1.45 0.28 -1.26 -4.92 120.64 114.70 2ysq n GLU 73 Ca 0.14 0.61 -0.41 0.00 -0.16 0.00 0.00 57.16 57.35 2ysq n GLU 73 Cb 0.47 -3.07 -0.02 0.00 1.43 0.00 0.00 31.44 30.25 2ysq n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2ysq s GLU 74 N 5.88 4.30 0.00 3.44 2.02 -1.26 -4.96 118.70 128.12 2ysq s GLU 74 Ca 0.99 2.29 0.00 0.00 0.02 0.00 0.00 54.97 58.28 2ysq s GLU 74 Cb -0.44 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2ysq s GLU 74 CO 0.39 -0.28 0.10 0.41 0.02 0.00 0.00 175.26 175.90 2ysq n GLY 75 N 0.90 -0.70 3.60 -1.39 0.00 -1.26 -4.70 105.19 101.64 2ysq n GLY 75 Ca 0.01 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2ysq n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysq n SER 76 N -0.22 -2.77 -3.61 1.61 2.88 -1.26 -4.92 113.62 105.32 2ysq n SER 76 Ca 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 2ysq n SER 76 Cb 0.00 -2.34 0.00 0.00 -0.75 0.00 0.00 64.21 61.12 2ysq n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysq n GLY 77 N -1.06 -2.61 3.67 0.46 0.00 -1.26 -5.01 105.19 99.38 2ysq n GLY 77 Ca 0.03 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 2ysq n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysq s PRO 78 N -0.19 0.23 0.27 1.61 0.04 -1.26 -5.09 135.00 130.61 2ysq s PRO 78 Ca 0.00 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 2ysq s PRO 78 Cb 0.00 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.85 2ysq s PRO 78 CO 0.00 -2.85 0.75 0.45 0.04 0.00 0.00 177.00 175.39 2ysq s SER 79 N -3.47 -0.24 0.76 6.66 0.15 -1.26 -5.16 113.70 111.14 2ysq s SER 79 Ca 0.66 -0.60 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 2ysq s SER 79 Cb -0.18 0.70 0.05 0.00 -1.71 0.00 0.00 66.02 64.88 2ysq s SER 79 CO 0.58 -1.31 1.18 -1.20 1.20 0.00 0.00 173.24 173.69 2ysq n SER 80 N -0.49 1.15 -0.12 5.45 7.64 -1.26 -5.33 113.62 120.65 2ysq n SER 80 Ca -0.04 0.65 0.02 0.00 1.01 0.00 0.00 58.87 60.50 2ysq n SER 80 Cb 0.59 -1.50 0.01 0.00 -1.01 0.00 0.00 64.21 62.30 2ysq n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64