#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 -0.02 0.14 1.61 1.04 -1.26 -5.16 113.70 110.06 2ysq s SER 2 Ca 0.00 0.54 -0.24 0.00 0.48 0.00 0.00 55.95 56.72 2ysq s SER 2 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 2ysq s SER 2 CO 0.00 -0.19 0.72 -0.44 0.98 0.00 0.00 173.24 174.31 2ysq s SER 3 N 1.69 -0.44 -0.01 7.02 0.01 -1.26 -5.19 113.70 115.53 2ysq s SER 3 Ca -0.05 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 2ysq s SER 3 Cb -0.11 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2ysq s SER 3 CO -0.08 -0.93 0.12 0.61 0.41 0.00 0.00 173.24 173.36 2ysq n GLY 4 N -0.36 0.44 3.68 3.44 0.00 -1.26 -5.17 105.19 105.96 2ysq n GLY 4 Ca -0.12 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2ysq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysq s SER 5 N -1.25 4.80 -0.20 1.61 0.01 -1.26 -5.05 113.70 112.35 2ysq s SER 5 Ca 0.03 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 2ysq s SER 5 Cb -0.00 -1.01 -0.10 0.00 0.21 0.00 0.00 66.02 65.11 2ysq s SER 5 CO -0.00 0.04 -0.23 -1.54 0.41 0.00 0.00 173.24 171.92 2ysq n SER 6 N -0.53 1.86 0.00 2.44 3.41 -1.26 -5.03 113.62 114.51 2ysq n SER 6 Ca -0.08 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2ysq n SER 6 Cb 0.57 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2ysq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysq n GLY 7 N 2.03 -0.87 1.84 5.00 0.00 -1.26 -5.03 105.19 106.89 2ysq n GLY 7 Ca -0.39 0.91 -0.20 0.00 0.00 0.00 0.00 46.02 46.34 2ysq n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ysq n ASP 8 N 0.00 4.62 -0.88 1.61 2.03 -1.26 -4.87 116.55 117.81 2ysq n ASP 8 Ca 0.00 -3.76 -0.06 0.00 0.52 0.00 0.00 54.79 51.49 2ysq n ASP 8 Cb 0.00 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 2ysq n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ysq n SER 9 N -0.98 -2.66 -3.10 1.67 2.88 -1.26 -4.89 113.62 105.27 2ysq n SER 9 Ca 0.48 -0.04 -0.43 0.00 -1.33 0.00 0.00 58.87 57.55 2ysq n SER 9 Cb 1.02 -1.82 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 2ysq n SER 9 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2ysq n ILE 10 N -3.83 0.00 -3.55 2.46 -0.00 -1.26 -4.89 119.36 108.29 2ysq n ILE 10 Ca -0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.32 2ysq n ILE 10 Cb 0.55 -0.18 -0.06 0.00 -0.00 0.00 0.00 39.64 39.95 2ysq n ILE 10 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 2ysq s VAL 11 N 1.05 5.09 -0.03 1.39 1.01 -1.26 -5.03 120.40 122.62 2ysq s VAL 11 Ca 0.66 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.41 2ysq s VAL 11 Cb -0.93 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 31.78 2ysq s VAL 11 CO 0.47 0.56 -0.11 -0.44 0.00 0.00 0.00 175.10 175.58 2ysq s SER 12 N -1.12 1.45 0.37 3.32 0.01 -1.26 -2.34 113.70 114.13 2ysq s SER 12 Ca 0.23 -0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.35 2ysq s SER 12 Cb -0.16 -0.34 -0.07 0.00 0.21 0.00 0.00 66.02 65.66 2ysq s SER 12 CO 0.13 0.10 -0.04 0.00 0.41 0.00 0.00 173.24 173.84 2ysq s ALA 13 N 0.05 2.98 -0.13 1.44 0.00 -1.24 -3.14 121.76 121.73 2ysq s ALA 13 Ca -0.01 -2.17 0.02 0.00 0.00 0.00 0.00 51.96 49.80 2ysq s ALA 13 Cb -0.08 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2ysq s ALA 13 CO 0.01 -0.03 -0.20 -2.00 0.00 0.00 0.00 175.76 173.54 2ysq s GLU 14 N -3.67 2.77 -0.35 0.00 2.12 -0.85 -3.52 118.70 115.19 2ysq s GLU 14 Ca 0.34 -0.76 -0.28 0.00 0.36 0.00 0.00 54.97 54.62 2ysq s GLU 14 Cb 0.06 -2.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 2ysq s GLU 14 CO 0.17 -0.04 1.85 0.00 -0.54 0.00 0.00 175.26 176.70 2ysq s ALA 15 N 0.90 2.76 -0.21 6.30 0.00 -1.07 -2.12 121.76 128.32 2ysq s ALA 15 Ca -0.06 0.20 0.14 0.00 0.00 0.00 0.00 51.96 52.24 2ysq s ALA 15 Cb -0.15 -4.06 -0.23 0.00 0.00 0.00 0.00 23.12 18.68 2ysq s ALA 15 CO -0.02 -2.81 0.02 1.33 0.00 0.00 0.00 175.76 174.28 2ysq n VAL 16 N 7.43 1.42 -3.66 0.00 0.24 -1.18 0.97 118.33 123.55 2ysq n VAL 16 Ca 0.23 -0.79 -0.38 0.00 -2.04 0.00 0.00 64.34 61.36 2ysq n VAL 16 Cb 0.47 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.50 3.17 -0.78 6.34 0.52 -1.17 -4.67 118.94 119.85 2ysq s TRP 17 Ca -0.16 -0.51 -0.25 0.00 0.02 0.00 0.00 56.10 55.21 2ysq s TRP 17 Cb 0.07 -2.34 -0.17 0.00 -1.15 0.00 0.00 33.47 29.87 2ysq s TRP 17 CO 0.78 -0.42 2.47 -0.40 0.02 0.00 0.00 176.95 179.40 2ysq n ASP 18 N 4.98 1.02 -3.95 2.95 5.75 -1.26 -4.61 116.55 121.43 2ysq n ASP 18 Ca -0.14 -0.45 -0.39 0.00 -0.01 0.00 0.00 54.79 53.79 2ysq n ASP 18 Cb 0.50 -1.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.34 2ysq n ASP 18 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2ysq n HIS 19 N 13.12 3.16 -3.22 2.11 -0.00 -0.93 -4.94 115.22 124.52 2ysq n HIS 19 Ca 0.53 -3.25 -0.46 0.00 0.46 0.00 0.00 57.72 54.99 2ysq n HIS 19 Cb 0.30 -1.16 -0.02 0.00 -0.12 0.00 0.00 29.99 28.99 2ysq n HIS 19 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2ysq s VAL 20 N -2.37 5.44 -0.34 3.57 -7.23 -1.17 -1.01 120.40 117.28 2ysq s VAL 20 Ca 0.32 -2.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.08 2ysq s VAL 20 Cb 0.03 -4.58 0.11 0.00 0.56 0.00 0.00 36.38 32.50 2ysq s VAL 20 CO 0.03 -1.19 0.14 0.28 -0.31 0.00 0.00 175.10 174.05 2ysq s THR 21 N 0.62 0.76 -0.55 5.32 -1.32 -1.26 -4.94 115.64 114.26 2ysq s THR 21 Ca 0.24 -1.55 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 2ysq s THR 21 Cb -0.08 -1.57 0.45 0.00 -1.51 0.00 0.00 72.50 69.79 2ysq s THR 21 CO -0.09 -0.76 1.76 0.23 -2.21 0.00 0.00 174.62 173.55 2ysq n MET 22 N 4.58 3.00 0.04 7.08 2.81 -1.26 -4.10 117.12 129.27 2ysq n MET 22 Ca 0.01 -3.59 -0.13 0.00 -1.81 0.00 0.00 57.70 52.18 2ysq n MET 22 Cb 0.40 -2.29 -0.06 0.00 -0.71 0.00 0.00 33.22 30.56 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysq h ALA 23 N 2.09 -0.62 0.00 3.04 0.00 -1.94 -3.44 119.26 118.39 2ysq h ALA 23 Ca 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2ysq h ALA 23 Cb 1.02 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2ysq h ALA 23 CO 1.32 -0.93 0.00 -1.71 0.00 0.00 0.00 179.25 177.92 2ysq n ASN 24 N -5.44 0.15 0.00 0.00 2.85 -1.26 -5.00 115.26 106.55 2ysq n ASN 24 Ca -0.05 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2ysq n ASN 24 Cb 0.36 0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2ysq n ASN 24 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2ysq n ARG 25 N -3.03 2.41 -1.28 1.20 3.00 -1.26 -5.06 116.66 112.64 2ysq n ARG 25 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 57.85 57.33 2ysq n ARG 25 Cb 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 32.46 31.58 2ysq n ARG 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2ysq n GLU 26 N -1.37 0.00 -1.97 5.56 4.71 -1.26 -4.72 120.64 121.59 2ysq n GLU 26 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 2ysq n GLU 26 Cb 0.28 -1.13 -0.03 0.00 -1.01 0.00 0.00 31.44 29.55 2ysq n GLU 26 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2ysq s LEU 27 N 2.51 4.34 -0.17 -4.62 2.96 -1.18 -4.04 118.68 118.49 2ysq s LEU 27 Ca 0.81 2.30 -0.12 0.00 -0.22 0.00 0.00 54.13 56.89 2ysq s LEU 27 Cb -1.13 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 41.97 2ysq s LEU 27 CO 0.61 -0.94 0.22 0.00 -1.32 0.00 0.00 176.35 174.92 2ysq s ALA 28 N 4.01 3.66 0.22 5.97 0.00 -1.26 -4.56 121.76 129.80 2ysq s ALA 28 Ca 0.75 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 2ysq s ALA 28 Cb -0.35 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2ysq s ALA 28 CO 0.31 0.18 0.31 -0.59 0.00 0.00 0.00 175.76 175.96 2ysq s PHE 29 N 0.24 0.71 0.25 0.00 -0.12 -0.18 -4.88 117.98 114.00 2ysq s PHE 29 Ca 0.13 -1.01 0.09 0.00 -0.05 0.00 0.00 56.93 56.10 2ysq s PHE 29 Cb -0.12 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 2ysq s PHE 29 CO 0.02 -0.81 -0.03 -1.59 -0.05 0.00 0.00 175.22 172.77 2ysq s LYS 30 N -4.07 2.24 -0.36 1.99 -2.85 -1.26 -2.18 119.74 113.24 2ysq s LYS 30 Ca 0.29 -1.40 -0.27 0.00 -1.00 0.00 0.00 55.97 53.58 2ysq s LYS 30 Cb 0.03 -2.15 -0.05 0.00 -2.06 0.00 0.00 37.83 33.60 2ysq s LYS 30 CO 0.09 0.38 2.17 0.00 0.10 0.00 0.00 175.35 178.08 2ysq s ALA 31 N -2.23 2.37 0.00 0.59 0.00 -1.26 -2.30 121.76 118.92 2ysq s ALA 31 Ca 0.30 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2ysq s ALA 31 Cb -0.07 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2ysq s ALA 31 CO 0.19 -3.38 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2ysq n GLY 32 N 5.77 2.97 3.71 0.00 0.00 0.27 -4.94 105.19 112.98 2ysq n GLY 32 Ca 0.30 -0.42 -0.33 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 -0.07 3.90 -0.15 1.61 1.01 -0.97 -4.71 116.67 117.28 2ysq s ASP 33 Ca 0.00 2.29 -0.05 0.00 0.71 0.00 0.00 52.55 55.50 2ysq s ASP 33 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 2ysq s ASP 33 CO 0.00 -2.46 0.02 -0.69 0.21 0.00 0.00 175.17 172.25 2ysq s VAL 34 N -2.19 4.40 -0.23 -1.27 1.01 -1.26 -2.59 120.40 118.27 2ysq s VAL 34 Ca 0.72 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2ysq s VAL 34 Cb -0.27 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.21 2ysq s VAL 34 CO 0.49 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 175.33 2ysq s ILE 35 N 0.09 2.17 0.13 2.22 1.01 -1.23 -4.78 121.20 120.81 2ysq s ILE 35 Ca 0.03 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 2ysq s ILE 35 Cb -0.13 -2.15 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 2ysq s ILE 35 CO 0.02 0.17 1.26 -0.75 0.00 0.00 0.00 174.94 175.63 2ysq s LYS 36 N 1.17 4.41 -0.46 2.79 2.20 -1.12 -3.64 119.74 125.10 2ysq s LYS 36 Ca -0.04 1.91 -0.20 0.00 -0.36 0.00 0.00 55.97 57.28 2ysq s LYS 36 Cb -0.18 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2ysq s LYS 36 CO -0.08 -0.25 0.62 0.08 -0.36 0.00 0.00 175.35 175.36 2ysq s VAL 37 N 0.64 4.86 -0.06 4.02 1.01 -0.99 -0.78 120.40 129.11 2ysq s VAL 37 Ca 0.58 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 2ysq s VAL 37 Cb -0.33 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 31.64 2ysq s VAL 37 CO 0.33 -0.67 0.93 -0.07 0.00 0.00 0.00 175.10 175.62 2ysq h LEU 38 N 9.66 -0.12 -7.71 3.92 3.38 -1.83 -3.38 115.31 119.23 2ysq h LEU 38 Ca -0.26 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.12 2ysq h LEU 38 Cb 1.10 0.03 -0.19 0.00 0.09 0.00 0.00 40.66 41.69 2ysq h LEU 38 CO 0.91 0.48 -0.42 -0.62 0.09 0.00 0.00 178.44 178.88 2ysq s ASP 39 N -5.62 0.00 -0.57 -0.43 2.15 -1.26 -5.00 116.67 105.95 2ysq s ASP 39 Ca -0.14 -0.23 0.05 0.00 0.43 0.00 0.00 52.55 52.65 2ysq s ASP 39 Cb 0.00 0.25 0.18 0.00 -0.30 0.00 0.00 42.92 43.05 2ysq s ASP 39 CO 0.54 -0.46 0.44 0.00 -0.17 0.00 0.00 175.17 175.52 2ysq n ALA 40 N 1.10 3.18 0.00 3.66 0.00 -1.26 -2.86 120.51 124.33 2ysq n ALA 40 Ca -0.21 -3.89 -0.00 0.00 0.00 0.00 0.00 53.44 49.34 2ysq n ALA 40 Cb 0.57 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 5.37 -0.02 -2.54 0.00 0.87 -2.00 -3.47 113.55 111.76 2ysq h SER 41 Ca 0.20 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.41 2ysq h SER 41 Cb 0.82 0.01 0.19 0.00 -0.44 0.00 0.00 62.40 62.98 2ysq h SER 41 CO 0.57 0.08 -0.35 0.59 -0.53 0.00 0.00 176.83 177.18 2ysq n ASN 42 N -2.61 -3.11 0.08 6.23 3.02 -1.23 -4.97 115.26 112.68 2ysq n ASN 42 Ca -0.00 -0.48 -0.05 0.00 -0.03 0.00 0.00 54.58 54.02 2ysq n ASN 42 Cb 0.01 -0.96 -0.02 0.00 -0.61 0.00 0.00 39.78 38.20 2ysq n ASN 42 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2ysq h LYS 43 N -2.92 -0.29 -0.32 3.52 6.56 -2.04 -3.38 116.57 117.69 2ysq h LYS 43 Ca -0.42 0.02 -0.21 0.00 -1.06 0.00 0.00 60.65 58.99 2ysq h LYS 43 Cb 1.16 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 32.75 2ysq h LYS 43 CO 0.28 -0.19 -0.37 -3.47 -2.06 0.00 0.00 179.45 173.65 2ysq n ASP 44 N -4.69 2.89 -3.65 0.86 -0.08 -1.26 -4.93 116.55 105.69 2ysq n ASP 44 Ca -0.04 -3.83 -0.28 0.00 -1.51 0.00 0.00 54.79 49.13 2ysq n ASP 44 Cb 0.12 -0.55 -0.16 0.00 2.34 0.00 0.00 41.12 42.87 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 2ysq s TRP 45 N -3.35 0.74 0.27 -0.67 0.23 -1.26 -3.56 118.94 111.34 2ysq s TRP 45 Ca 0.44 -0.86 0.08 0.00 -2.03 0.00 0.00 56.10 53.73 2ysq s TRP 45 Cb 0.40 -1.02 -0.05 0.00 0.03 0.00 0.00 33.47 32.83 2ysq s TRP 45 CO -0.02 -0.68 -0.10 -1.58 0.96 0.00 0.00 176.95 175.52 2ysq s TRP 46 N 1.95 2.00 0.06 -1.98 0.51 -1.26 -3.48 118.94 116.73 2ysq s TRP 46 Ca 0.04 -0.59 -0.09 0.00 -2.12 0.00 0.00 56.10 53.34 2ysq s TRP 46 Cb -0.17 -1.05 -0.05 0.00 -0.81 0.00 0.00 33.47 31.39 2ysq s TRP 46 CO -0.18 0.40 0.36 -0.46 -0.51 0.00 0.00 176.95 176.55 2ysq s TRP 47 N -2.88 3.58 0.18 -1.98 -0.11 -1.14 -3.20 118.94 113.39 2ysq s TRP 47 Ca 0.28 0.72 0.11 0.00 1.22 0.00 0.00 56.10 58.44 2ysq s TRP 47 Cb 0.01 -2.11 -0.04 0.00 -1.50 0.00 0.00 33.47 29.83 2ysq s TRP 47 CO 0.12 0.55 -0.25 0.20 -4.62 0.00 0.00 176.95 172.95 2ysq s GLY 48 N -1.74 1.67 -0.10 5.86 0.00 0.17 -2.92 107.32 110.26 2ysq s GLY 48 Ca 0.31 -1.60 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 2ysq s GLY 48 CO 0.17 -1.62 0.08 1.62 0.00 0.00 0.00 173.10 173.36 2ysq s GLN 49 N -2.54 -0.01 0.17 2.90 0.74 0.04 -1.87 119.66 119.09 2ysq s GLN 49 Ca 0.19 0.20 0.05 0.00 0.05 0.00 0.00 55.36 55.85 2ysq s GLN 49 Cb -0.08 -1.05 -0.04 0.00 1.10 0.00 0.00 33.01 32.94 2ysq s GLN 49 CO 0.09 -0.47 0.12 0.42 -0.55 0.00 0.00 175.29 174.90 2ysq s ILE 50 N 2.17 4.42 0.07 -2.34 1.01 0.21 -2.78 121.20 123.96 2ysq s ILE 50 Ca 0.04 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 2ysq s ILE 50 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2ysq s ILE 50 CO -0.06 -0.11 0.84 0.47 0.00 0.00 0.00 174.94 176.08 2ysq n ASP 51 N -0.33 -0.45 -0.11 3.58 8.00 -1.26 -3.15 116.55 122.83 2ysq n ASP 51 Ca -0.08 0.94 -0.19 0.00 0.71 0.00 0.00 54.79 56.16 2ysq n ASP 51 Cb 0.55 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 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 -4.11 2.04 -4.82 -2.24 8.00 -1.26 -4.99 116.55 109.16 2ysq n ASP 52 Ca 0.01 0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.22 2ysq n ASP 52 Cb 0.11 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.44 3.89 -0.02 -1.24 2.02 -1.19 -5.08 118.70 114.65 2ysq s GLU 53 Ca -0.31 1.11 -0.21 0.00 0.02 0.00 0.00 54.97 55.58 2ysq s GLU 53 Cb 0.10 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 32.24 2ysq s GLU 53 CO 0.47 -0.33 0.45 -1.21 0.02 0.00 0.00 175.26 174.66 2ysq s GLU 54 N -3.70 0.82 0.00 1.61 2.02 -1.26 0.67 118.70 118.86 2ysq s GLU 54 Ca 0.62 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.56 2ysq s GLU 54 Cb -0.12 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2ysq s GLU 54 CO 0.26 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2ysq n GLY 55 N 1.09 -0.19 3.32 -1.39 0.00 -0.78 -4.80 105.19 102.44 2ysq n GLY 55 Ca -0.20 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.69 2.56 0.05 1.61 1.48 -1.26 0.43 118.94 120.12 2ysq s TRP 56 Ca 0.00 -0.62 0.09 0.00 -1.06 0.00 0.00 56.10 54.50 2ysq s TRP 56 Cb 0.00 -1.65 -0.03 0.00 -1.16 0.00 0.00 33.47 30.63 2ysq s TRP 56 CO 0.00 -0.15 -0.25 -0.59 -4.06 0.00 0.00 176.95 171.90 2ysq s PHE 57 N -0.15 2.15 0.12 1.66 -0.71 -1.20 -3.10 117.98 116.75 2ysq s PHE 57 Ca -0.03 -0.40 -0.31 0.00 -1.04 0.00 0.00 56.93 55.15 2ysq s PHE 57 Cb -0.14 -1.28 -0.08 0.00 -1.21 0.00 0.00 43.02 40.32 2ysq s PHE 57 CO 0.04 0.12 1.36 -1.25 -1.34 0.00 0.00 175.22 174.15 2ysq s PRO 58 N -1.26 4.34 0.00 1.99 0.04 -1.26 -4.11 135.00 134.74 2ysq s PRO 58 Ca 0.10 2.04 0.25 0.00 0.04 0.00 0.00 61.00 63.43 2ysq s PRO 58 Cb -0.10 -3.25 1.35 0.00 0.04 0.00 0.00 34.50 32.54 2ysq s PRO 58 CO 0.02 -0.39 1.84 0.00 0.04 0.00 0.00 177.00 178.52 2ysq n ALA 59 N 3.76 2.32 0.09 8.56 0.00 -1.23 -2.72 120.51 131.29 2ysq n ALA 59 Ca 0.10 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2ysq n ALA 59 Cb 0.43 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2ysq n ALA 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ysq h SER 60 N 0.00 0.00 -0.61 0.00 0.87 -1.91 -3.32 113.55 108.58 2ysq h SER 60 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 2ysq h SER 60 Cb 0.14 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.94 2ysq h SER 60 CO 0.00 0.23 0.21 0.49 -0.53 0.00 0.00 176.83 177.24 2ysq n PHE 61 N -2.84 1.92 -3.74 2.24 3.01 -1.10 -4.94 117.46 112.01 2ysq n PHE 61 Ca -0.03 -1.52 -0.13 0.00 1.01 0.00 0.00 57.45 56.79 2ysq n PHE 61 Cb 0.66 -0.65 -0.11 0.00 -0.01 0.00 0.00 39.48 39.38 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 -3.17 -0.01 -0.21 -4.37 -7.23 -1.25 -3.03 120.40 101.13 2ysq s VAL 62 Ca 0.50 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.63 2ysq s VAL 62 Cb 0.43 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.84 2ysq s VAL 62 CO 0.07 0.01 0.03 -0.13 -0.31 0.00 0.00 175.10 174.77 2ysq s ARG 63 N 0.40 3.70 1.11 4.82 1.81 -0.90 -4.87 118.95 125.02 2ysq s ARG 63 Ca -0.02 -0.47 -0.15 0.00 -1.72 0.00 0.00 55.73 53.37 2ysq s ARG 63 Cb -0.04 -3.17 0.18 0.00 -0.45 0.00 0.00 34.95 31.48 2ysq s ARG 63 CO -0.02 0.02 0.59 1.28 -0.68 0.00 0.00 175.30 176.49 2ysq n LEU 64 N 4.27 -1.19 -1.47 2.53 4.77 -1.26 -2.01 117.00 122.64 2ysq n LEU 64 Ca -0.17 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.70 2ysq n LEU 64 Cb 0.52 -1.16 0.04 0.00 -2.33 0.00 0.00 43.42 40.48 2ysq n LEU 64 CO 0.32 -3.16 0.86 0.79 -1.33 0.00 0.00 177.39 174.88 2ysq n TRP 65 N -4.57 0.81 -4.59 -1.77 8.01 -1.19 -4.78 117.44 109.36 2ysq n TRP 65 Ca 0.03 -1.11 -0.25 0.00 -1.31 0.00 0.00 57.50 54.87 2ysq n TRP 65 Cb 0.57 -0.55 -0.17 0.00 -2.01 0.00 0.00 31.31 29.15 2ysq n TRP 65 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 2ysq s VAL 66 N -1.01 1.14 -0.08 -0.99 1.01 -1.26 -5.13 120.40 114.08 2ysq s VAL 66 Ca 0.16 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2ysq s VAL 66 Cb 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2ysq s VAL 66 CO 0.02 0.36 -0.21 0.20 0.00 0.00 0.00 175.10 175.46 2ysq s ASN 67 N 0.65 2.74 -0.18 3.32 0.01 -1.26 -5.11 114.94 115.10 2ysq s ASN 67 Ca -0.14 -0.48 -0.32 0.00 -0.71 0.00 0.00 52.86 51.20 2ysq s ASN 67 Cb -0.16 -1.16 0.14 0.00 0.41 0.00 0.00 41.25 40.48 2ysq s ASN 67 CO 0.04 0.14 1.16 -1.58 -1.51 0.00 0.00 177.10 175.35 2ysq s GLN 68 N 0.33 0.38 -0.48 -0.60 2.00 -1.26 -5.00 119.66 115.02 2ysq s GLN 68 Ca -0.15 -0.06 -0.03 0.00 -2.00 0.00 0.00 55.36 53.12 2ysq s GLN 68 Cb -0.17 0.17 0.00 0.00 0.80 0.00 0.00 33.01 33.82 2ysq s GLN 68 CO 0.07 -0.15 0.42 -1.91 -0.50 0.00 0.00 175.29 173.22 2ysq n GLU 69 N 0.18 -2.84 -1.44 1.67 0.00 -1.26 -4.95 120.64 111.99 2ysq n GLU 69 Ca -0.03 0.30 -0.36 0.00 0.00 0.00 0.00 57.16 57.07 2ysq n GLU 69 Cb 0.59 -3.71 0.07 0.00 0.00 0.00 0.00 31.44 28.39 2ysq n GLU 69 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2ysq n ASP 70 N -0.19 7.64 -4.29 4.31 2.03 -1.26 -4.90 116.55 119.89 2ysq n ASP 70 Ca -0.00 -3.80 -0.43 0.00 0.52 0.00 0.00 54.79 51.08 2ysq n ASP 70 Cb 0.52 -0.98 -0.08 0.00 -0.72 0.00 0.00 41.12 39.87 2ysq n ASP 70 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ysq s GLU 71 N -3.87 2.77 0.97 -0.67 2.02 -1.26 -5.08 118.70 113.59 2ysq s GLU 71 Ca 0.63 -1.59 -0.13 0.00 0.02 0.00 0.00 54.97 53.89 2ysq s GLU 71 Cb 0.50 -4.06 0.17 0.00 0.10 0.00 0.00 34.13 30.84 2ysq s GLU 71 CO -0.08 -1.15 1.13 0.14 0.02 0.00 0.00 175.26 175.32 2ysq s VAL 72 N 1.51 1.96 0.25 2.63 -7.23 -1.26 -5.07 120.40 113.19 2ysq s VAL 72 Ca 0.04 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.27 2ysq s VAL 72 Cb -0.26 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 2ysq s VAL 72 CO 0.03 0.00 0.27 -1.83 -0.31 0.00 0.00 175.10 173.25 2ysq s GLU 73 N -5.21 3.14 0.71 4.82 -1.05 -1.26 -5.08 118.70 114.77 2ysq s GLU 73 Ca 0.65 -0.93 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 2ysq s GLU 73 Cb -0.15 -2.70 -0.04 0.00 -0.44 0.00 0.00 34.13 30.80 2ysq s GLU 73 CO 0.55 0.41 0.58 0.39 0.95 0.00 0.00 175.26 178.14 2ysq n GLU 74 N -1.28 0.34 -0.07 -4.83 1.02 -1.26 -4.96 120.64 109.60 2ysq n GLU 74 Ca -0.08 0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 2ysq n GLU 74 Cb 0.58 -1.87 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 2ysq n GLU 74 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ysq h GLY 75 N -0.32 0.00 -4.29 0.62 0.00 -2.03 -3.46 103.07 93.59 2ysq h GLY 75 Ca -0.46 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.31 2ysq h GLY 75 CO 0.43 0.00 -0.04 -0.45 0.00 0.00 0.00 176.54 176.48 2ysq s SER 76 N -5.99 6.95 0.00 0.19 0.15 -1.26 -4.82 113.70 108.91 2ysq s SER 76 Ca -0.13 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2ysq s SER 76 Cb -0.00 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2ysq s SER 76 CO 0.36 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.58 2ysq n GLY 77 N 1.19 -1.30 3.77 9.45 0.00 -1.26 -5.14 105.19 111.90 2ysq n GLY 77 Ca -0.07 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.58 0.90 1.61 0.04 -1.26 -5.02 135.00 133.85 2ysq s PRO 78 Ca 0.00 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 2ysq s PRO 78 Cb 0.00 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.74 2ysq s PRO 78 CO 0.00 -1.41 1.10 -1.54 0.04 0.00 0.00 177.00 175.19 2ysq s SER 79 N -2.90 3.30 -0.00 6.66 1.04 -1.26 -5.07 113.70 115.47 2ysq s SER 79 Ca 0.65 1.75 -0.05 0.00 0.48 0.00 0.00 55.95 58.78 2ysq s SER 79 Cb -0.19 -2.37 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 2ysq s SER 79 CO 0.47 -2.79 0.09 -0.44 0.98 0.00 0.00 173.24 171.55 2ysq s SER 80 N -3.12 0.06 0.00 7.02 0.01 -1.26 -5.24 113.70 111.17 2ysq s SER 80 Ca 0.64 -0.21 0.31 0.00 1.31 0.00 0.00 55.95 58.00 2ysq s SER 80 Cb -0.20 0.18 1.77 0.00 0.21 0.00 0.00 66.02 67.98 2ysq s SER 80 CO 0.58 -0.29 2.15 0.61 0.41 0.00 0.00 173.24 176.70