#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 -0.44 0.25 1.61 0.01 -1.26 -5.16 113.70 108.71 2ysq s SER 2 Ca 0.00 0.80 -0.20 0.00 1.31 0.00 0.00 55.95 57.85 2ysq s SER 2 Cb 0.00 0.73 0.07 0.00 0.21 0.00 0.00 66.02 67.03 2ysq s SER 2 CO 0.00 -0.16 0.94 -0.94 0.41 0.00 0.00 173.24 173.49 2ysq s SER 3 N 0.88 -0.02 0.59 2.44 1.04 -1.26 -5.19 113.70 112.18 2ysq s SER 3 Ca -0.05 -0.80 0.09 0.00 0.48 0.00 0.00 55.95 55.66 2ysq s SER 3 Cb -0.06 0.62 0.08 0.00 0.10 0.00 0.00 66.02 66.76 2ysq s SER 3 CO -0.07 -1.22 0.71 -0.83 0.98 0.00 0.00 173.24 172.81 2ysq s GLY 4 N -3.24 1.89 0.06 7.32 0.00 -1.26 -5.15 107.32 106.95 2ysq s GLY 4 Ca 0.18 -1.91 -0.21 0.00 0.00 0.00 0.00 44.72 42.78 2ysq s GLY 4 CO 0.07 -1.78 0.49 -0.45 0.00 0.00 0.00 173.10 171.43 2ysq s SER 5 N -4.60 -0.40 0.23 1.64 0.15 -1.26 -5.18 113.70 104.29 2ysq s SER 5 Ca 0.54 0.10 0.08 0.00 0.70 0.00 0.00 55.95 57.37 2ysq s SER 5 Cb -0.04 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2ysq s SER 5 CO 0.34 -0.73 0.01 -0.44 1.20 0.00 0.00 173.24 173.63 2ysq s SER 6 N -2.06 4.71 0.00 5.45 0.01 -1.26 -5.12 113.70 115.42 2ysq s SER 6 Ca -0.04 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2ysq s SER 6 Cb -0.01 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2ysq s SER 6 CO -0.03 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2ysq n GLY 7 N -0.59 5.32 3.17 3.44 0.00 -1.26 -5.18 105.19 110.09 2ysq n GLY 7 Ca -0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 1.20 1.21 1.61 1.11 -1.26 -5.15 116.67 116.39 2ysq s ASP 8 Ca 0.00 -0.97 -0.14 0.00 0.18 0.00 0.00 52.55 51.62 2ysq s ASP 8 Cb 0.00 0.08 0.29 0.00 1.07 0.00 0.00 42.92 44.36 2ysq s ASP 8 CO 0.00 -0.43 0.91 -0.24 1.18 0.00 0.00 175.17 176.59 2ysq n SER 9 N 0.05 -2.10 -4.74 0.27 2.88 -1.26 -4.84 113.62 103.88 2ysq n SER 9 Ca -0.13 -0.25 -0.39 0.00 -1.33 0.00 0.00 58.87 56.77 2ysq n SER 9 Cb 0.60 -1.20 -0.05 0.00 -0.75 0.00 0.00 64.21 62.81 2ysq n SER 9 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ysq s ILE 10 N -2.35 4.99 0.33 2.46 1.01 -1.26 -4.80 121.20 121.57 2ysq s ILE 10 Ca 0.68 1.29 0.09 0.00 0.00 0.00 0.00 60.65 62.71 2ysq s ILE 10 Cb -0.24 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 2ysq s ILE 10 CO 0.66 0.34 0.05 0.54 0.00 0.00 0.00 174.94 176.53 2ysq s VAL 11 N 0.29 2.91 0.11 2.92 0.11 -1.20 -5.03 120.40 120.50 2ysq s VAL 11 Ca 0.33 -1.87 0.06 0.00 -2.93 0.00 0.00 61.98 57.57 2ysq s VAL 11 Cb -0.18 -2.86 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 2ysq s VAL 11 CO 0.17 -0.23 -0.15 -0.94 -3.33 0.00 0.00 175.10 170.62 2ysq s SER 12 N -3.75 2.03 0.18 3.54 1.04 -1.26 -2.17 113.70 113.31 2ysq s SER 12 Ca 0.35 -0.75 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 2ysq s SER 12 Cb -0.02 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 2ysq s SER 12 CO 0.21 -0.09 0.33 0.00 0.98 0.00 0.00 173.24 174.67 2ysq s ALA 13 N -1.78 -0.13 -0.15 5.32 0.00 -1.25 -3.53 121.76 120.25 2ysq s ALA 13 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2ysq s ALA 13 Cb -0.07 0.89 0.02 0.00 0.00 0.00 0.00 23.12 23.96 2ysq s ALA 13 CO 0.03 -0.69 -0.17 -2.00 0.00 0.00 0.00 175.76 172.93 2ysq s GLU 14 N -3.96 2.57 -0.02 0.00 2.12 -1.17 -3.53 118.70 114.70 2ysq s GLU 14 Ca 0.17 -0.67 -0.35 0.00 0.36 0.00 0.00 54.97 54.48 2ysq s GLU 14 Cb 0.02 -2.22 -0.13 0.00 0.26 0.00 0.00 34.13 32.06 2ysq s GLU 14 CO 0.01 -0.15 1.76 0.00 -0.54 0.00 0.00 175.26 176.33 2ysq n ALA 15 N 4.49 0.88 -0.03 6.30 0.00 -1.23 -3.33 120.51 127.58 2ysq n ALA 15 Ca -0.19 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.62 2ysq n ALA 15 Cb 0.51 -2.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.39 2ysq n ALA 15 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ysq n VAL 16 N 4.49 0.71 -4.25 0.00 0.24 -1.23 -2.80 118.33 115.49 2ysq n VAL 16 Ca 0.21 -0.66 -0.17 0.00 -2.04 0.00 0.00 64.34 61.68 2ysq n VAL 16 Cb 0.28 -0.28 -0.14 0.00 -1.47 0.00 0.00 33.84 32.22 2ysq n VAL 16 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2ysq s TRP 17 N -3.05 0.73 0.38 6.34 0.52 -1.26 -4.89 118.94 117.72 2ysq s TRP 17 Ca -0.08 -0.22 -0.28 0.00 0.02 0.00 0.00 56.10 55.55 2ysq s TRP 17 Cb 0.10 -0.46 -0.10 0.00 -1.15 0.00 0.00 33.47 31.86 2ysq s TRP 17 CO 0.86 -0.02 1.43 -0.51 0.02 0.00 0.00 176.95 178.74 2ysq s ASP 18 N -0.54 6.37 -0.61 2.95 1.01 -1.26 -4.55 116.67 120.04 2ysq s ASP 18 Ca 0.00 2.94 0.06 0.00 0.71 0.00 0.00 52.55 56.26 2ysq s ASP 18 Cb -0.05 -2.66 0.23 0.00 1.01 0.00 0.00 42.92 41.46 2ysq s ASP 18 CO 0.00 -0.84 0.67 1.57 0.21 0.00 0.00 175.17 176.78 2ysq n HIS 19 N 0.42 2.94 -2.40 4.23 -0.00 -0.19 -5.00 115.22 115.22 2ysq n HIS 19 Ca 0.01 -4.08 -0.43 0.00 -0.00 0.00 0.00 57.72 53.23 2ysq n HIS 19 Cb 0.40 -0.52 -0.02 0.00 -0.00 0.00 0.00 29.99 29.85 2ysq n HIS 19 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2ysq s VAL 20 N -2.08 4.17 -0.10 3.57 1.01 -1.26 -3.34 120.40 122.36 2ysq s VAL 20 Ca 0.37 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.72 2ysq s VAL 20 Cb 0.12 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2ysq s VAL 20 CO -0.05 -0.33 -0.12 0.42 0.00 0.00 0.00 175.10 175.01 2ysq s THR 21 N 4.08 3.19 -0.18 3.92 -4.23 -1.26 -5.01 115.64 116.16 2ysq s THR 21 Ca 0.56 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2ysq s THR 21 Cb -0.19 -2.31 0.10 0.00 1.34 0.00 0.00 72.50 71.43 2ysq s THR 21 CO 0.20 0.55 2.12 0.23 -0.54 0.00 0.00 174.62 177.18 2ysq n MET 22 N 3.00 1.51 -3.74 3.99 2.81 -1.26 -4.82 117.12 118.61 2ysq n MET 22 Ca -0.18 -0.93 -0.13 0.00 -1.81 0.00 0.00 57.70 54.65 2ysq n MET 22 Cb 0.53 -1.40 -0.08 0.00 -0.71 0.00 0.00 33.22 31.55 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysq s ALA 23 N -0.94 -0.81 0.01 3.04 0.00 -1.26 -5.06 121.76 116.74 2ysq s ALA 23 Ca 0.21 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 2ysq s ALA 23 Cb 0.15 0.18 -0.35 0.00 0.00 0.00 0.00 23.12 23.11 2ysq s ALA 23 CO -0.01 -0.34 0.94 -0.97 0.00 0.00 0.00 175.76 175.38 2ysq h ASN 24 N 3.52 0.78 0.17 0.00 -1.24 -2.04 -3.22 115.58 113.54 2ysq h ASN 24 Ca -0.30 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 55.78 2ysq h ASN 24 Cb 1.19 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.98 2ysq h ASN 24 CO 0.42 1.69 0.00 -2.11 -1.29 0.00 0.00 177.43 176.14 2ysq n ARG 25 N -3.76 0.46 -3.38 6.67 1.85 -1.26 -4.54 116.66 112.70 2ysq n ARG 25 Ca -0.18 0.05 -0.44 0.00 -1.00 0.00 0.00 57.85 56.28 2ysq n ARG 25 Cb 1.07 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.90 2ysq n ARG 25 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2ysq s GLU 26 N -2.27 3.00 -0.52 2.89 0.41 -1.22 -4.81 118.70 116.18 2ysq s GLU 26 Ca 0.24 -1.19 -0.28 0.00 -0.41 0.00 0.00 54.97 53.33 2ysq s GLU 26 Cb 0.13 -4.08 -0.09 0.00 -1.78 0.00 0.00 34.13 28.31 2ysq s GLU 26 CO 0.26 -0.97 2.42 -0.11 -0.49 0.00 0.00 175.26 176.37 2ysq n LEU 27 N 5.30 2.10 -4.85 1.80 7.94 -1.26 -4.82 117.00 123.22 2ysq n LEU 27 Ca -0.11 -0.25 -0.37 0.00 -1.11 0.00 0.00 56.01 54.17 2ysq n LEU 27 Cb 0.45 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.88 2ysq n LEU 27 CO 0.46 -1.28 -0.19 0.00 -1.11 0.00 0.00 177.39 175.27 2ysq s ALA 28 N 10.91 3.80 0.12 1.96 0.00 -1.26 -4.86 121.76 132.43 2ysq s ALA 28 Ca 1.05 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 2ysq s ALA 28 Cb -0.41 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 2ysq s ALA 28 CO 0.33 0.61 0.23 -0.59 0.00 0.00 0.00 175.76 176.34 2ysq s PHE 29 N -1.01 0.28 0.42 0.00 -0.12 -1.21 -5.03 117.98 111.31 2ysq s PHE 29 Ca 0.15 -0.68 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 2ysq s PHE 29 Cb -0.12 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 2ysq s PHE 29 CO 0.04 -0.62 0.21 0.15 -0.05 0.00 0.00 175.22 174.94 2ysq s LYS 30 N -3.91 2.26 -0.03 1.99 1.02 -1.26 -1.02 119.74 118.78 2ysq s LYS 30 Ca 0.11 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.98 2ysq s LYS 30 Cb 0.04 -2.03 -0.07 0.00 -0.52 0.00 0.00 37.83 35.25 2ysq s LYS 30 CO -0.06 -0.15 1.89 0.00 -0.92 0.00 0.00 175.35 176.12 2ysq s ALA 31 N -2.60 3.47 0.00 5.17 0.00 -1.26 -2.30 121.76 124.24 2ysq s ALA 31 Ca 0.41 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2ysq s ALA 31 Cb 0.03 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2ysq s ALA 31 CO 0.23 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.70 2ysq n GLY 32 N 4.59 1.25 3.71 0.00 0.00 -1.12 -5.02 105.19 108.60 2ysq n GLY 32 Ca 0.20 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.68 6.43 -0.20 1.61 1.01 -0.97 -4.78 116.67 119.09 2ysq s ASP 33 Ca 0.00 2.78 -0.23 0.00 0.71 0.00 0.00 52.55 55.81 2ysq s ASP 33 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2ysq s ASP 33 CO 0.00 -0.96 0.72 -0.69 0.21 0.00 0.00 175.17 174.45 2ysq s VAL 34 N 1.71 4.95 -0.27 -1.27 1.01 -1.26 -3.56 120.40 121.71 2ysq s VAL 34 Ca 0.76 1.37 -0.05 0.00 0.00 0.00 0.00 61.98 64.06 2ysq s VAL 34 Cb -0.47 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 31.89 2ysq s VAL 34 CO 0.33 0.05 0.03 -0.63 0.00 0.00 0.00 175.10 174.88 2ysq s ILE 35 N 2.19 3.64 -0.71 2.22 1.01 -1.23 -4.71 121.20 123.60 2ysq s ILE 35 Ca 0.32 -0.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 2ysq s ILE 35 Cb -0.16 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.51 2ysq s ILE 35 CO 0.10 0.18 1.26 -0.75 0.00 0.00 0.00 174.94 175.73 2ysq s LYS 36 N 1.46 3.25 -0.23 2.79 2.20 -0.37 -3.75 119.74 125.09 2ysq s LYS 36 Ca 0.03 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.19 2ysq s LYS 36 Cb -0.16 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 31.98 2ysq s LYS 36 CO 0.00 -2.07 1.66 0.08 -0.36 0.00 0.00 175.35 174.66 2ysq s VAL 37 N 5.60 3.63 -0.10 4.02 1.01 -0.92 -0.90 120.40 132.74 2ysq s VAL 37 Ca 0.36 0.70 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 2ysq s VAL 37 Cb -0.08 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ysq s VAL 37 CO 0.17 -0.30 -0.00 -0.07 0.00 0.00 0.00 175.10 174.90 2ysq h LEU 38 N 12.00 0.00 -9.26 3.92 3.38 -1.81 -3.16 115.31 120.38 2ysq h LEU 38 Ca -0.34 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 56.96 2ysq h LEU 38 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 2ysq h LEU 38 CO 1.00 0.51 -0.59 -0.62 0.09 0.00 0.00 178.44 178.83 2ysq s ASP 39 N -5.56 5.46 -0.50 -0.43 2.15 -1.26 -4.65 116.67 111.88 2ysq s ASP 39 Ca -0.01 0.16 0.07 0.00 0.43 0.00 0.00 52.55 53.20 2ysq s ASP 39 Cb 0.00 -1.71 0.27 0.00 -0.30 0.00 0.00 42.92 41.18 2ysq s ASP 39 CO 0.01 0.32 0.66 0.00 -0.17 0.00 0.00 175.17 175.99 2ysq n ALA 40 N 2.55 3.18 0.06 3.66 0.00 -1.26 -3.65 120.51 125.05 2ysq n ALA 40 Ca -0.18 -4.02 -0.07 0.00 0.00 0.00 0.00 53.44 49.17 2ysq n ALA 40 Cb 0.53 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 3.88 -0.21 -5.27 0.00 0.87 -1.97 -3.47 113.55 107.39 2ysq h SER 41 Ca 0.13 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 2ysq h SER 41 Cb 0.78 0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 62.65 2ysq h SER 41 CO 0.63 0.33 -0.50 0.20 -0.53 0.00 0.00 176.83 176.97 2ysq s ASN 42 N -5.38 0.23 0.00 6.23 0.02 -1.26 -5.02 114.94 109.76 2ysq s ASN 42 Ca -0.08 -0.92 0.09 0.00 -1.02 0.00 0.00 52.86 50.93 2ysq s ASN 42 Cb 0.00 0.32 0.55 0.00 0.02 0.00 0.00 41.25 42.15 2ysq s ASN 42 CO 0.28 -0.74 1.19 0.29 0.02 0.00 0.00 177.10 178.14 2ysq n LYS 43 N -0.07 0.80 -0.00 -0.60 4.01 -1.26 -3.06 118.16 117.98 2ysq n LYS 43 Ca -0.10 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.48 2ysq n LYS 43 Cb 0.63 -1.18 -0.14 0.00 -0.51 0.00 0.00 35.03 33.83 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ysq n ASP 44 N -0.68 2.12 -3.63 4.39 8.00 -1.26 -4.09 116.55 121.40 2ysq n ASP 44 Ca 0.07 0.21 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 2ysq n ASP 44 Cb 0.03 -0.86 -0.16 0.00 -0.02 0.00 0.00 41.12 40.11 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2ysq s TRP 45 N -2.55 0.51 -0.07 1.24 0.23 -1.17 -4.65 118.94 112.47 2ysq s TRP 45 Ca -0.23 -0.68 0.05 0.00 -2.03 0.00 0.00 56.10 53.22 2ysq s TRP 45 Cb 0.07 -0.89 -0.01 0.00 0.03 0.00 0.00 33.47 32.67 2ysq s TRP 45 CO 0.76 -0.64 -0.24 -1.58 0.96 0.00 0.00 176.95 176.21 2ysq s TRP 46 N 2.03 2.41 0.10 -1.98 0.52 -1.19 -4.37 118.94 116.47 2ysq s TRP 46 Ca 0.04 -0.81 -0.19 0.00 0.02 0.00 0.00 56.10 55.15 2ysq s TRP 46 Cb -0.16 -1.60 -0.07 0.00 -1.15 0.00 0.00 33.47 30.49 2ysq s TRP 46 CO -0.17 -0.28 0.60 -0.46 0.02 0.00 0.00 176.95 176.65 2ysq s TRP 47 N 0.03 3.79 -0.02 -1.98 -0.11 -1.24 -1.69 118.94 117.71 2ysq s TRP 47 Ca -0.09 1.29 0.06 0.00 1.22 0.00 0.00 56.10 58.59 2ysq s TRP 47 Cb -0.15 -2.52 -0.01 0.00 -1.50 0.00 0.00 33.47 29.29 2ysq s TRP 47 CO 0.05 0.55 -0.21 0.20 -4.62 0.00 0.00 176.95 172.93 2ysq s GLY 48 N -1.20 1.02 -0.22 5.86 0.00 -0.34 -2.99 107.32 109.45 2ysq s GLY 48 Ca 0.31 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.16 2ysq s GLY 48 CO 0.20 -0.69 -0.14 1.62 0.00 0.00 0.00 173.10 174.09 2ysq s GLN 49 N -0.40 2.71 0.15 2.90 0.74 -0.08 -2.43 119.66 123.25 2ysq s GLN 49 Ca 0.06 -1.03 0.04 0.00 0.05 0.00 0.00 55.36 54.48 2ysq s GLN 49 Cb -0.09 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 2ysq s GLN 49 CO -0.00 -0.37 0.17 0.42 -0.55 0.00 0.00 175.29 174.96 2ysq s ILE 50 N 1.24 4.73 0.12 -2.34 1.01 0.71 -1.23 121.20 125.43 2ysq s ILE 50 Ca -0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 2ysq s ILE 50 Cb -0.16 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2ysq s ILE 50 CO -0.08 -0.09 1.06 0.47 0.00 0.00 0.00 174.94 176.30 2ysq n ASP 51 N -0.35 -0.67 -0.07 3.58 8.00 -1.26 -3.25 116.55 122.53 2ysq n ASP 51 Ca -0.08 1.22 -0.09 0.00 0.71 0.00 0.00 54.79 56.54 2ysq n ASP 51 Cb 0.54 -0.18 -0.06 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 -4.89 2.86 -4.82 -2.24 8.00 -1.26 -5.02 116.55 109.18 2ysq n ASP 52 Ca 0.02 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 2ysq n ASP 52 Cb 0.20 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.26 3.61 -0.24 -1.24 2.02 -1.20 -5.07 118.70 114.32 2ysq s GLU 53 Ca -0.18 1.14 -0.19 0.00 0.02 0.00 0.00 54.97 55.76 2ysq s GLU 53 Cb 0.05 -2.08 0.07 0.00 0.10 0.00 0.00 34.13 32.26 2ysq s GLU 53 CO 0.30 -0.57 0.62 -1.21 0.02 0.00 0.00 175.26 174.42 2ysq s GLU 54 N -3.95 0.69 0.00 1.61 2.02 -1.26 -0.21 118.70 117.60 2ysq s GLU 54 Ca 0.62 0.95 0.00 0.00 0.02 0.00 0.00 54.97 56.57 2ysq s GLU 54 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.35 2ysq s GLU 54 CO 0.32 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2ysq n GLY 55 N 3.31 -0.53 3.91 -1.39 0.00 -1.02 -4.80 105.19 104.67 2ysq n GLY 55 Ca -0.16 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 2ysq n GLY 55 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ysq s TRP 56 N -3.00 3.08 -0.11 1.61 -2.14 -1.26 -1.20 118.94 115.92 2ysq s TRP 56 Ca 0.00 -0.21 -0.30 0.00 2.66 0.00 0.00 56.10 58.25 2ysq s TRP 56 Cb 0.00 -1.77 0.10 0.00 -3.10 0.00 0.00 33.47 28.70 2ysq s TRP 56 CO 0.00 0.20 0.86 -0.59 -2.66 0.00 0.00 176.95 174.76 2ysq s PHE 57 N -2.19 -0.49 0.12 1.66 -0.12 -0.68 -4.05 117.98 112.22 2ysq s PHE 57 Ca 0.40 0.83 -0.31 0.00 -0.05 0.00 0.00 56.93 57.80 2ysq s PHE 57 Cb -0.08 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.67 2ysq s PHE 57 CO 0.28 -0.46 1.36 -1.25 -0.05 0.00 0.00 175.22 175.09 2ysq s PRO 58 N -1.21 4.34 0.09 1.99 0.04 -1.26 -3.15 135.00 135.84 2ysq s PRO 58 Ca -0.05 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.20 2ysq s PRO 58 Cb -0.00 -3.25 0.73 0.00 0.04 0.00 0.00 34.50 32.02 2ysq s PRO 58 CO 0.05 -0.39 1.54 0.00 0.04 0.00 0.00 177.00 178.24 2ysq n ALA 59 N 3.75 1.65 -0.09 8.56 0.00 -1.26 -2.22 120.51 130.91 2ysq n ALA 59 Ca 0.10 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.58 2ysq n ALA 59 Cb 0.43 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.84 2ysq n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ysq n SER 60 N -1.75 3.75 0.00 0.00 7.64 -1.26 -3.64 113.62 118.37 2ysq n SER 60 Ca 0.03 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.39 2ysq n SER 60 Cb 0.19 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2ysq n SER 60 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2ysq n PHE 61 N 0.41 0.00 -3.93 1.43 3.01 -0.94 -5.04 117.46 112.40 2ysq n PHE 61 Ca 0.17 -0.08 -0.10 0.00 1.01 0.00 0.00 57.45 58.45 2ysq n PHE 61 Cb 0.79 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 40.13 2ysq n PHE 61 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2ysq s VAL 62 N -0.15 0.07 -0.21 -4.37 -7.23 -1.24 -3.48 120.40 103.79 2ysq s VAL 62 Ca 0.00 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2ysq s VAL 62 Cb 0.00 -0.21 -0.02 0.00 0.56 0.00 0.00 36.38 36.71 2ysq s VAL 62 CO 0.00 -0.33 0.01 -0.13 -0.31 0.00 0.00 175.10 174.34 2ysq s ARG 63 N -0.98 3.63 0.94 4.82 1.81 -1.21 -4.94 118.95 123.01 2ysq s ARG 63 Ca -0.11 -0.51 -0.11 0.00 -1.72 0.00 0.00 55.73 53.28 2ysq s ARG 63 Cb -0.07 -3.12 0.09 0.00 -0.45 0.00 0.00 34.95 31.40 2ysq s ARG 63 CO -0.00 -0.02 0.75 1.28 -0.68 0.00 0.00 175.30 176.62 2ysq n LEU 64 N 4.36 1.41 -4.42 2.53 7.99 -1.26 -3.04 117.00 124.56 2ysq n LEU 64 Ca -0.17 0.37 -0.44 0.00 -0.01 0.00 0.00 56.01 55.76 2ysq n LEU 64 Cb 0.52 -1.33 -0.03 0.00 -0.11 0.00 0.00 43.42 42.47 2ysq n LEU 64 CO 0.31 -2.96 0.82 0.26 -1.51 0.00 0.00 177.39 174.32 2ysq s TRP 65 N -2.50 3.17 -0.41 -1.77 0.51 -1.23 -4.88 118.94 111.84 2ysq s TRP 65 Ca 0.61 -1.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.23 2ysq s TRP 65 Cb -0.22 -4.19 0.12 0.00 -0.81 0.00 0.00 33.47 28.38 2ysq s TRP 65 CO 0.63 -1.41 0.19 0.08 -0.51 0.00 0.00 176.95 175.94 2ysq s VAL 66 N 2.40 1.41 -0.06 4.03 1.01 -1.26 -5.07 120.40 122.86 2ysq s VAL 66 Ca 0.28 -2.32 -0.30 0.00 0.00 0.00 0.00 61.98 59.64 2ysq s VAL 66 Cb -0.08 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 2ysq s VAL 66 CO -0.06 -0.82 2.06 0.59 0.00 0.00 0.00 175.10 176.87 2ysq n ASN 67 N 3.87 3.81 -4.20 3.32 4.13 -1.26 -4.97 115.26 119.96 2ysq n ASN 67 Ca 0.06 0.67 -0.24 0.00 1.68 0.00 0.00 54.58 56.74 2ysq n ASN 67 Cb 0.37 -1.53 -0.14 0.00 -1.54 0.00 0.00 39.78 36.94 2ysq n ASN 67 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2ysq s GLN 68 N 5.11 1.33 -0.34 3.52 0.74 -1.26 -5.05 119.66 123.70 2ysq s GLN 68 Ca 0.93 -0.80 0.11 0.00 0.05 0.00 0.00 55.36 55.66 2ysq s GLN 68 Cb -0.42 -1.37 0.45 0.00 1.10 0.00 0.00 33.01 32.77 2ysq s GLN 68 CO 0.40 0.36 1.10 -1.91 -0.55 0.00 0.00 175.29 174.70 2ysq n GLU 69 N 2.15 2.77 -2.32 1.67 2.13 -1.26 -5.08 120.64 120.70 2ysq n GLU 69 Ca -0.16 -4.01 -0.25 0.00 0.66 0.00 0.00 57.16 53.39 2ysq n GLU 69 Cb 0.54 -1.96 0.05 0.00 0.27 0.00 0.00 31.44 30.34 2ysq n GLU 69 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2ysq s ASP 70 N -3.52 5.13 0.48 4.31 -4.77 -1.26 -5.01 116.67 112.03 2ysq s ASP 70 Ca 0.41 0.49 -0.20 0.00 -3.30 0.00 0.00 52.55 49.96 2ysq s ASP 70 Cb 0.40 -1.28 -0.13 0.00 -1.09 0.00 0.00 42.92 40.82 2ysq s ASP 70 CO -0.05 -1.36 0.24 -1.84 0.70 0.00 0.00 175.17 172.85 2ysq n GLU 71 N -2.74 0.26 -2.73 2.11 0.28 -1.26 -4.94 120.64 111.62 2ysq n GLU 71 Ca 0.07 0.10 -0.29 0.00 -0.16 0.00 0.00 57.16 56.87 2ysq n GLU 71 Cb 0.59 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 32.16 2ysq n GLU 71 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ysq s VAL 72 N -1.74 4.83 0.18 3.84 0.11 -1.26 -5.09 120.40 121.26 2ysq s VAL 72 Ca 0.62 0.49 0.07 0.00 -2.93 0.00 0.00 61.98 60.23 2ysq s VAL 72 Cb -0.54 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 2ysq s VAL 72 CO 0.61 -0.67 0.00 -1.83 -3.33 0.00 0.00 175.10 169.88 2ysq s GLU 73 N -4.23 2.40 -0.60 1.54 -1.05 -1.26 -5.08 118.70 110.43 2ysq s GLU 73 Ca 0.50 -1.13 -0.26 0.00 -0.15 0.00 0.00 54.97 53.93 2ysq s GLU 73 Cb -0.10 -2.34 0.04 0.00 -0.44 0.00 0.00 34.13 31.28 2ysq s GLU 73 CO 0.37 0.45 1.10 -2.00 0.95 0.00 0.00 175.26 176.13 2ysq s GLU 74 N -3.01 3.37 0.00 -4.83 2.12 -1.26 -5.00 118.70 110.09 2ysq s GLU 74 Ca 0.28 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.52 2ysq s GLU 74 Cb -0.09 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.23 2ysq s GLU 74 CO 0.19 -1.69 0.00 0.41 -0.54 0.00 0.00 175.26 173.62 2ysq n GLY 75 N 5.15 -1.67 3.64 -1.50 0.00 -1.26 -5.09 105.19 104.46 2ysq n GLY 75 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 2ysq n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysq s SER 76 N -1.62 -0.42 0.03 1.61 0.15 -1.26 -5.17 113.70 107.01 2ysq s SER 76 Ca 0.00 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.46 2ysq s SER 76 Cb 0.00 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 2ysq s SER 76 CO 0.00 -0.15 0.04 -0.83 1.20 0.00 0.00 173.24 173.50 2ysq s GLY 77 N 0.15 1.95 0.49 9.45 0.00 -1.26 -5.10 107.32 112.99 2ysq s GLY 77 Ca 0.03 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 43.57 2ysq s GLY 77 CO -0.07 -0.87 1.15 2.56 0.00 0.00 0.00 173.10 175.87 2ysq s PRO 78 N -1.87 3.63 0.36 2.90 0.04 -1.26 -5.06 135.00 133.75 2ysq s PRO 78 Ca 0.23 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.07 2ysq s PRO 78 Cb -0.12 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2ysq s PRO 78 CO 0.15 -0.65 0.24 -1.12 0.04 0.00 0.00 177.00 175.66 2ysq s SER 79 N -1.50 4.93 0.38 6.66 0.01 -1.26 -5.14 113.70 117.78 2ysq s SER 79 Ca 0.67 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 57.30 2ysq s SER 79 Cb -0.27 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.19 2ysq s SER 79 CO 0.32 -0.41 0.37 -0.94 0.41 0.00 0.00 173.24 172.99 2ysq s SER 80 N -3.96 5.30 0.00 2.44 1.04 -1.26 -5.37 113.70 111.90 2ysq s SER 80 Ca 0.41 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2ysq s SER 80 Cb -0.03 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2ysq s SER 80 CO 0.25 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.55