#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 5.95 0.76 1.61 0.15 -1.26 -5.08 113.70 115.82 2ysq s SER 2 Ca 0.00 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.32 2ysq s SER 2 Cb 0.00 -1.32 0.05 0.00 -1.71 0.00 0.00 66.02 63.04 2ysq s SER 2 CO 0.00 -0.35 1.22 -1.20 1.20 0.00 0.00 173.24 174.12 2ysq n SER 3 N -1.55 1.32 -4.68 5.45 7.64 -1.26 -4.90 113.62 115.64 2ysq n SER 3 Ca -0.02 0.66 -0.42 0.00 1.01 0.00 0.00 58.87 60.10 2ysq n SER 3 Cb 0.58 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 2ysq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysq s GLY 4 N -1.89 1.65 -0.05 0.23 0.00 -1.26 -4.93 107.32 101.07 2ysq s GLY 4 Ca 0.76 0.95 -0.15 0.00 0.00 0.00 0.00 44.72 46.29 2ysq s GLY 4 CO 0.48 2.79 0.60 1.76 0.00 0.00 0.00 173.10 178.73 2ysq h SER 5 N 8.59 -0.29 -1.14 1.64 0.02 -2.07 -3.45 113.55 116.85 2ysq h SER 5 Ca -0.39 -0.12 -0.77 0.00 -0.84 0.00 0.00 61.79 59.67 2ysq h SER 5 Cb 1.18 0.07 0.05 0.00 0.14 0.00 0.00 62.40 63.84 2ysq h SER 5 CO 0.93 0.21 0.15 -0.24 -1.14 0.00 0.00 176.83 176.74 2ysq n SER 6 N -5.00 0.35 -4.27 3.07 2.88 -1.26 -4.95 113.62 104.43 2ysq n SER 6 Ca -0.06 1.15 -0.24 0.00 -1.33 0.00 0.00 58.87 58.40 2ysq n SER 6 Cb 0.20 -0.97 -0.13 0.00 -0.75 0.00 0.00 64.21 62.56 2ysq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysq s GLY 7 N 0.16 1.19 -0.69 0.46 0.00 -1.26 -5.09 107.32 102.09 2ysq s GLY 7 Ca 0.90 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 44.45 2ysq s GLY 7 CO 0.55 -1.19 0.48 0.99 0.00 0.00 0.00 173.10 173.93 2ysq s ASP 8 N -1.80 4.94 -0.59 1.64 1.01 -1.26 -5.04 116.67 115.56 2ysq s ASP 8 Ca 0.06 -3.57 -0.26 0.00 0.71 0.00 0.00 52.55 49.49 2ysq s ASP 8 Cb -0.10 -1.70 -0.06 0.00 1.01 0.00 0.00 42.92 42.07 2ysq s ASP 8 CO 0.04 -0.15 2.23 -0.94 0.21 0.00 0.00 175.17 176.56 2ysq s SER 9 N -0.82 4.62 -0.26 0.27 1.04 -1.26 -4.87 113.70 112.41 2ysq s SER 9 Ca 0.23 0.62 -0.38 0.00 0.48 0.00 0.00 55.95 56.89 2ysq s SER 9 Cb -0.11 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.35 2ysq s SER 9 CO -0.11 -2.89 1.88 -0.38 0.98 0.00 0.00 173.24 172.73 2ysq n ILE 10 N 7.89 0.33 -3.09 -1.02 5.41 -1.26 -4.91 119.36 122.71 2ysq n ILE 10 Ca 0.34 -0.11 -0.39 0.00 1.00 0.00 0.00 62.75 63.59 2ysq n ILE 10 Cb 0.52 -1.44 -0.05 0.00 -0.71 0.00 0.00 39.64 37.96 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 4.57 5.00 -0.30 1.39 1.01 -1.13 -4.96 120.40 125.99 2ysq s VAL 11 Ca 1.00 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 64.28 2ysq s VAL 11 Cb -0.96 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 31.40 2ysq s VAL 11 CO 0.59 0.30 0.14 -0.44 0.00 0.00 0.00 175.10 175.69 2ysq s SER 12 N 0.52 5.49 0.29 3.32 0.01 -1.26 -1.20 113.70 120.87 2ysq s SER 12 Ca 0.35 -0.45 0.09 0.00 1.31 0.00 0.00 55.95 57.26 2ysq s SER 12 Cb -0.18 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 2ysq s SER 12 CO 0.18 -0.16 0.06 0.00 0.41 0.00 0.00 173.24 173.72 2ysq s ALA 13 N 1.62 3.29 -0.10 1.44 0.00 -1.21 -1.21 121.76 125.60 2ysq s ALA 13 Ca 0.05 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.35 2ysq s ALA 13 Cb -0.17 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2ysq s ALA 13 CO 0.06 0.20 -0.17 -2.00 0.00 0.00 0.00 175.76 173.84 2ysq s GLU 14 N -3.74 2.35 -0.00 0.00 2.12 0.54 -3.38 118.70 116.59 2ysq s GLU 14 Ca 0.33 -0.63 -0.34 0.00 0.36 0.00 0.00 54.97 54.70 2ysq s GLU 14 Cb -0.05 -1.90 -0.12 0.00 0.26 0.00 0.00 34.13 32.31 2ysq s GLU 14 CO 0.21 0.03 1.78 0.00 -0.54 0.00 0.00 175.26 176.75 2ysq n ALA 15 N 3.90 1.06 -0.07 6.30 0.00 -1.17 -2.31 120.51 128.21 2ysq n ALA 15 Ca -0.20 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 2ysq n ALA 15 Cb 0.52 -2.46 -0.15 0.00 0.00 0.00 0.00 19.45 17.36 2ysq n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ysq n VAL 16 N 4.59 1.45 -4.14 0.00 0.31 -0.99 -3.13 118.33 116.42 2ysq n VAL 16 Ca 0.21 -0.83 -0.19 0.00 -0.01 0.00 0.00 64.34 63.52 2ysq n VAL 16 Cb 0.30 -0.66 -0.16 0.00 -0.91 0.00 0.00 33.84 32.41 2ysq n VAL 16 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2ysq s TRP 17 N -2.54 0.64 -0.27 3.52 0.52 -1.23 -4.92 118.94 114.66 2ysq s TRP 17 Ca -0.08 -0.15 -0.28 0.00 0.02 0.00 0.00 56.10 55.60 2ysq s TRP 17 Cb 0.07 -0.57 -0.06 0.00 -1.15 0.00 0.00 33.47 31.76 2ysq s TRP 17 CO 0.83 -0.15 2.25 -0.25 0.02 0.00 0.00 176.95 179.65 2ysq n ASP 18 N 3.88 3.04 -4.11 2.95 9.92 -1.26 -4.56 116.55 126.41 2ysq n ASP 18 Ca -0.24 0.13 -0.38 0.00 -0.53 0.00 0.00 54.79 53.76 2ysq n ASP 18 Cb 0.52 -1.53 -0.04 0.00 -0.64 0.00 0.00 41.12 39.42 2ysq n ASP 18 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2ysq n HIS 19 N 12.07 4.22 -3.20 1.24 -0.00 -0.91 -4.93 115.22 123.72 2ysq n HIS 19 Ca 0.32 -3.89 -0.39 0.00 0.46 0.00 0.00 57.72 54.21 2ysq n HIS 19 Cb 0.44 -1.26 -0.06 0.00 -0.12 0.00 0.00 29.99 28.99 2ysq n HIS 19 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2ysq s VAL 20 N -1.62 5.08 0.06 3.57 1.01 -1.25 -2.92 120.40 124.34 2ysq s VAL 20 Ca 0.30 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.41 2ysq s VAL 20 Cb -0.05 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2ysq s VAL 20 CO -0.08 0.18 -0.18 0.28 0.00 0.00 0.00 175.10 175.30 2ysq s THR 21 N 1.53 1.48 0.08 3.92 -1.32 -1.26 -5.05 115.64 115.02 2ysq s THR 21 Ca 0.27 -1.26 -0.16 0.00 -1.21 0.00 0.00 61.69 59.32 2ysq s THR 21 Cb -0.16 -1.33 -0.09 0.00 -1.51 0.00 0.00 72.50 69.41 2ysq s THR 21 CO 0.11 0.03 1.42 -0.03 -2.21 0.00 0.00 174.62 173.93 2ysq h MET 22 N 4.59 0.60 -6.50 7.08 4.05 -2.01 -3.44 114.93 119.29 2ysq h MET 22 Ca -0.42 -0.29 -0.59 0.00 -0.28 0.00 0.00 59.70 58.12 2ysq h MET 22 Cb 1.17 0.00 0.06 0.00 -0.80 0.00 0.00 31.60 32.03 2ysq h MET 22 CO 0.42 0.88 0.79 0.00 0.23 0.00 0.00 176.91 179.23 2ysq n ALA 23 N -2.46 1.29 -0.02 0.39 0.00 -1.26 -4.91 120.51 113.54 2ysq n ALA 23 Ca -0.04 0.45 -0.16 0.00 0.00 0.00 0.00 53.44 53.69 2ysq n ALA 23 Cb 0.41 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 2ysq n ALA 23 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2ysq h ASN 24 N 5.93 0.29 -0.95 0.00 -1.07 -2.02 -3.31 115.58 114.45 2ysq h ASN 24 Ca -0.45 -0.79 0.18 0.00 0.07 0.00 0.00 56.30 55.31 2ysq h ASN 24 Cb 1.26 -0.09 -0.18 0.00 -2.07 0.00 0.00 38.32 37.24 2ysq h ASN 24 CO 0.89 1.04 -0.26 0.03 0.07 0.00 0.00 177.43 179.19 2ysq h ARG 25 N -0.43 -0.00 -7.09 4.14 3.08 -1.91 -3.41 114.38 108.76 2ysq h ARG 25 Ca -0.04 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.58 2ysq h ARG 25 Cb 1.10 0.00 0.22 0.00 0.08 0.00 0.00 29.97 31.37 2ysq h ARG 25 CO 0.07 -0.00 -0.08 0.39 -1.07 0.00 0.00 179.97 179.27 2ysq n GLU 26 N -5.58 -2.75 -3.42 0.04 4.71 -1.25 -4.30 120.64 108.09 2ysq n GLU 26 Ca 0.14 -0.78 -0.44 0.00 -0.01 0.00 0.00 57.16 56.07 2ysq n GLU 26 Cb 0.46 -2.12 -0.05 0.00 -1.01 0.00 0.00 31.44 28.72 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 -7.13 6.26 0.04 -4.62 2.96 -1.04 -4.60 118.68 110.56 2ysq s LEU 27 Ca 0.68 -2.47 -0.28 0.00 -0.22 0.00 0.00 54.13 51.84 2ysq s LEU 27 Cb -0.25 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 2ysq s LEU 27 CO 0.66 -0.60 0.89 0.00 -1.32 0.00 0.00 176.35 175.97 2ysq s ALA 28 N 0.51 3.26 0.16 5.97 0.00 -1.26 -4.82 121.76 125.59 2ysq s ALA 28 Ca 0.14 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 2ysq s ALA 28 Cb -0.17 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2ysq s ALA 28 CO -0.05 -0.07 0.25 -0.59 0.00 0.00 0.00 175.76 175.30 2ysq s PHE 29 N 0.36 0.48 0.18 0.00 -0.12 -1.15 -5.01 117.98 112.72 2ysq s PHE 29 Ca 0.45 -0.84 0.11 0.00 -0.05 0.00 0.00 56.93 56.59 2ysq s PHE 29 Cb -0.21 -0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 2ysq s PHE 29 CO 0.26 -0.69 -0.22 0.15 -0.05 0.00 0.00 175.22 174.66 2ysq s LYS 30 N -3.98 1.44 -0.27 1.99 -0.14 -1.26 -2.14 119.74 115.37 2ysq s LYS 30 Ca 0.19 -1.48 -0.40 0.00 -1.36 0.00 0.00 55.97 52.92 2ysq s LYS 30 Cb 0.04 -1.69 -0.15 0.00 -1.68 0.00 0.00 37.83 34.34 2ysq s LYS 30 CO 0.01 0.36 1.76 0.00 -0.76 0.00 0.00 175.35 176.72 2ysq n ALA 31 N 0.32 -0.12 0.00 5.17 0.00 -1.26 -1.24 120.51 123.38 2ysq n ALA 31 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2ysq n ALA 31 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 4.22 2.64 3.69 0.00 0.00 -1.18 -5.00 105.19 109.56 2ysq n GLY 32 Ca 0.26 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 2ysq n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ysq n ASP 33 N 0.15 2.67 -4.68 1.61 9.92 -0.37 -4.70 116.55 121.14 2ysq n ASP 33 Ca 0.00 1.20 -0.35 0.00 -0.53 0.00 0.00 54.79 55.11 2ysq n ASP 33 Cb 0.00 -1.47 -0.09 0.00 -0.64 0.00 0.00 41.12 38.92 2ysq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ysq s VAL 34 N -1.01 5.20 -0.05 2.53 1.01 -1.26 -3.06 120.40 123.75 2ysq s VAL 34 Ca 0.57 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2ysq s VAL 34 Cb -0.58 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2ysq s VAL 34 CO 0.61 0.42 -0.23 -0.63 0.00 0.00 0.00 175.10 175.27 2ysq s ILE 35 N 0.53 2.24 -0.70 2.22 1.01 -1.22 -4.83 121.20 120.45 2ysq s ILE 35 Ca 0.06 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 2ysq s ILE 35 Cb -0.12 -1.81 0.07 0.00 0.01 0.00 0.00 42.46 40.61 2ysq s ILE 35 CO 0.00 0.57 1.02 -0.54 0.00 0.00 0.00 174.94 175.99 2ysq s LYS 36 N -0.36 3.17 -0.09 2.79 1.02 -0.69 -3.29 119.74 122.30 2ysq s LYS 36 Ca 0.02 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 2ysq s LYS 36 Cb -0.12 -4.32 -0.05 0.00 -0.52 0.00 0.00 37.83 32.82 2ysq s LYS 36 CO 0.02 -1.85 1.60 0.08 -0.92 0.00 0.00 175.35 174.27 2ysq s VAL 37 N 4.11 3.69 -0.19 3.17 1.01 -0.34 0.20 120.40 132.04 2ysq s VAL 37 Ca 0.25 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 2ysq s VAL 37 Cb -0.15 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 2ysq s VAL 37 CO 0.08 -0.09 -0.35 0.18 0.00 0.00 0.00 175.10 174.92 2ysq n LEU 38 N 7.21 1.94 -4.53 3.92 4.77 0.05 -2.82 117.00 127.54 2ysq n LEU 38 Ca 0.17 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 56.06 2ysq n LEU 38 Cb 0.43 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 2ysq n LEU 38 CO 0.62 -0.19 0.39 -0.62 -1.33 0.00 0.00 177.39 176.26 2ysq s ASP 39 N -6.07 6.34 -0.50 -1.43 2.15 -1.22 -4.91 116.67 111.05 2ysq s ASP 39 Ca -0.30 -0.24 0.04 0.00 0.43 0.00 0.00 52.55 52.48 2ysq s ASP 39 Cb 0.05 -2.32 0.16 0.00 -0.30 0.00 0.00 42.92 40.51 2ysq s ASP 39 CO 0.43 -0.75 0.36 0.00 -0.17 0.00 0.00 175.17 175.05 2ysq s ALA 40 N 2.82 2.19 -0.14 3.66 0.00 -1.26 -3.15 121.76 125.88 2ysq s ALA 40 Ca 0.23 -2.85 -0.06 0.00 0.00 0.00 0.00 51.96 49.29 2ysq s ALA 40 Cb -0.14 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 2ysq s ALA 40 CO 0.18 -2.03 -0.17 0.45 0.00 0.00 0.00 175.76 174.19 2ysq n SER 41 N 2.76 1.39 -4.32 0.00 2.88 -1.26 -5.06 113.62 110.01 2ysq n SER 41 Ca 0.23 0.13 -0.18 0.00 -1.33 0.00 0.00 58.87 57.72 2ysq n SER 41 Cb 0.41 -0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 63.39 2ysq n SER 41 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2ysq s ASN 42 N -6.11 2.39 -0.27 -3.46 3.84 -1.26 -5.04 114.94 105.04 2ysq s ASN 42 Ca -0.20 -1.01 -0.05 0.00 0.21 0.00 0.00 52.86 51.82 2ysq s ASN 42 Cb 0.07 -0.11 -0.07 0.00 -0.55 0.00 0.00 41.25 40.59 2ysq s ASN 42 CO 0.26 -0.20 3.11 0.29 -2.79 0.00 0.00 177.10 177.78 2ysq n LYS 43 N -0.30 2.23 0.00 0.43 4.01 -1.26 -4.24 118.16 119.03 2ysq n LYS 43 Ca -0.09 -1.78 0.00 0.00 -0.51 0.00 0.00 58.31 55.93 2ysq n LYS 43 Cb 0.60 -2.08 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 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 1.54 0.01 -4.09 4.39 8.00 -1.26 -4.75 116.55 120.38 2ysq n ASP 44 Ca 0.46 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.63 2ysq n ASP 44 Cb 0.70 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.01 3.45 -0.11 1.24 0.52 -1.26 -3.89 118.94 117.88 2ysq s TRP 45 Ca 0.00 -2.41 -0.01 0.00 0.02 0.00 0.00 56.10 53.70 2ysq s TRP 45 Cb 0.00 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2ysq s TRP 45 CO 0.00 -0.89 -0.09 -1.58 0.02 0.00 0.00 176.95 174.41 2ysq s TRP 46 N 1.09 2.90 -0.06 -1.98 0.52 -1.18 -4.82 118.94 115.41 2ysq s TRP 46 Ca -0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 56.10 55.64 2ysq s TRP 46 Cb -0.20 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 2ysq s TRP 46 CO -0.05 0.02 0.43 -0.46 0.02 0.00 0.00 176.95 176.92 2ysq s TRP 47 N -0.04 3.62 0.28 -1.98 -0.11 -1.19 -3.81 118.94 115.72 2ysq s TRP 47 Ca -0.01 0.93 0.08 0.00 1.22 0.00 0.00 56.10 58.33 2ysq s TRP 47 Cb -0.14 -2.41 -0.06 0.00 -1.50 0.00 0.00 33.47 29.37 2ysq s TRP 47 CO 0.03 0.42 -0.10 0.20 -4.62 0.00 0.00 176.95 172.88 2ysq s GLY 48 N -0.27 1.83 -0.19 5.86 0.00 -1.26 -0.77 107.32 112.51 2ysq s GLY 48 Ca 0.24 -1.89 0.01 0.00 0.00 0.00 0.00 44.72 43.08 2ysq s GLY 48 CO 0.12 -1.87 -0.10 1.62 0.00 0.00 0.00 173.10 172.87 2ysq s GLN 49 N -3.67 1.94 0.17 2.90 0.74 0.13 -4.46 119.66 117.41 2ysq s GLN 49 Ca 0.29 -0.80 0.05 0.00 0.05 0.00 0.00 55.36 54.95 2ysq s GLN 49 Cb 0.02 -2.36 -0.04 0.00 1.10 0.00 0.00 33.01 31.73 2ysq s GLN 49 CO 0.12 -0.43 0.13 0.42 -0.55 0.00 0.00 175.29 174.98 2ysq s ILE 50 N 1.43 4.44 0.06 -2.34 1.01 -0.36 -1.70 121.20 123.74 2ysq s ILE 50 Ca -0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 2ysq s ILE 50 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2ysq s ILE 50 CO -0.08 -0.12 0.76 -0.67 0.00 0.00 0.00 174.94 174.83 2ysq n ASP 51 N -0.37 -0.40 -0.74 3.58 -0.08 -1.26 -2.50 116.55 114.79 2ysq n ASP 51 Ca -0.08 0.85 0.04 0.00 -1.51 0.00 0.00 54.79 54.09 2ysq n ASP 51 Cb 0.55 -0.18 0.07 0.00 2.34 0.00 0.00 41.12 43.90 2ysq n ASP 51 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ysq n ASP 52 N -4.00 1.05 -4.21 1.67 2.03 -1.26 -5.06 116.55 106.77 2ysq n ASP 52 Ca 0.01 -2.54 -0.22 0.00 0.52 0.00 0.00 54.79 52.55 2ysq n ASP 52 Cb 0.10 -0.33 -0.13 0.00 -0.72 0.00 0.00 41.12 40.03 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ysq s GLU 53 N -1.11 1.10 -0.19 -0.67 0.41 -1.04 -5.15 118.70 112.05 2ysq s GLU 53 Ca 0.23 -0.91 -0.23 0.00 -0.41 0.00 0.00 54.97 53.65 2ysq s GLU 53 Cb 0.24 -1.19 0.06 0.00 -1.78 0.00 0.00 34.13 31.46 2ysq s GLU 53 CO -0.06 0.29 0.62 -1.21 -0.49 0.00 0.00 175.26 174.42 2ysq s GLU 54 N -1.35 0.79 0.00 1.61 2.02 -1.26 -1.23 118.70 119.28 2ysq s GLU 54 Ca 0.04 0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.74 2ysq s GLU 54 Cb -0.09 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2ysq s GLU 54 CO 0.02 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.57 2ysq n GLY 55 N 2.33 -1.05 3.88 -1.39 0.00 -1.26 -4.51 105.19 103.19 2ysq n GLY 55 Ca -0.15 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.00 3.59 -0.09 1.61 0.51 -1.26 -4.26 118.94 116.03 2ysq s TRP 56 Ca 0.00 0.55 -0.29 0.00 -2.12 0.00 0.00 56.10 54.24 2ysq s TRP 56 Cb 0.00 -1.97 0.07 0.00 -0.81 0.00 0.00 33.47 30.76 2ysq s TRP 56 CO 0.00 0.65 0.67 -0.59 -0.51 0.00 0.00 176.95 177.17 2ysq s PHE 57 N -1.22 -0.66 0.34 -1.98 -0.71 -1.25 -2.49 117.98 110.02 2ysq s PHE 57 Ca 0.24 1.24 -0.28 0.00 -1.04 0.00 0.00 56.93 57.09 2ysq s PHE 57 Cb -0.13 0.37 -0.09 0.00 -1.21 0.00 0.00 43.02 41.95 2ysq s PHE 57 CO 0.13 -0.55 1.22 -1.25 -1.34 0.00 0.00 175.22 173.42 2ysq s PRO 58 N -0.89 4.32 0.16 1.99 0.04 -1.26 -3.11 135.00 136.26 2ysq s PRO 58 Ca -0.09 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2ysq s PRO 58 Cb -0.01 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2ysq s PRO 58 CO 0.08 -0.14 1.36 0.00 0.04 0.00 0.00 177.00 178.34 2ysq h ALA 59 N 3.24 0.50 0.00 8.56 0.00 -1.88 -3.14 119.26 126.55 2ysq h ALA 59 Ca -0.48 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 53.66 2ysq h ALA 59 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ysq h ALA 59 CO 0.65 0.99 -0.02 1.03 0.00 0.00 0.00 179.25 181.91 2ysq h SER 60 N 0.06 0.00 1.82 0.00 0.87 -1.88 -0.55 113.55 113.87 2ysq h SER 60 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ysq h SER 60 Cb 1.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2ysq h SER 60 CO 0.13 0.02 0.00 -0.26 -0.53 0.00 0.00 176.83 176.19 2ysq h PHE 61 N 0.00 0.00 -3.51 2.24 -1.00 -1.95 -3.45 116.94 109.27 2ysq h PHE 61 Ca -0.00 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.17 2ysq h PHE 61 Cb 0.16 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 39.52 2ysq h PHE 61 CO 0.00 0.00 -0.82 0.14 -1.61 0.00 0.00 178.31 176.02 2ysq s VAL 62 N -3.27 2.07 -0.05 -0.55 -7.23 -0.21 -2.35 120.40 108.81 2ysq s VAL 62 Ca 0.06 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.43 2ysq s VAL 62 Cb 0.06 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2ysq s VAL 62 CO 0.65 -0.11 -0.21 0.00 -0.31 0.00 0.00 175.10 175.11 2ysq s ARG 63 N -2.43 2.15 1.18 4.82 1.70 -0.98 -4.88 118.95 120.51 2ysq s ARG 63 Ca 0.15 -0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 54.50 2ysq s ARG 63 Cb -0.08 -1.84 0.21 0.00 -0.57 0.00 0.00 34.95 32.67 2ysq s ARG 63 CO 0.07 0.30 0.45 1.28 -1.08 0.00 0.00 175.30 176.32 2ysq n LEU 64 N 3.07 -1.96 0.05 -1.89 4.32 -1.26 -0.34 117.00 118.99 2ysq n LEU 64 Ca -0.18 -0.26 -0.23 0.00 -0.02 0.00 0.00 56.01 55.33 2ysq n LEU 64 Cb 0.52 -1.04 -0.15 0.00 -1.62 0.00 0.00 43.42 41.14 2ysq n LEU 64 CO 0.25 -3.34 -0.55 -0.50 -1.22 0.00 0.00 177.39 172.04 2ysq h TRP 65 N -2.52 0.64 -3.38 -1.77 4.06 -1.52 -3.42 115.95 108.05 2ysq h TRP 65 Ca -0.54 -0.47 -0.53 0.00 2.06 0.00 0.00 58.89 59.41 2ysq h TRP 65 Cb 1.30 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 29.44 2ysq h TRP 65 CO -0.44 1.67 0.49 0.08 -3.56 0.00 0.00 178.44 176.68 2ysq s VAL 66 N -2.56 4.13 0.98 1.49 1.01 -1.26 -5.02 120.40 119.18 2ysq s VAL 66 Ca -0.18 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 2ysq s VAL 66 Cb 0.05 -4.05 0.18 0.00 0.00 0.00 0.00 36.38 32.57 2ysq s VAL 66 CO 0.83 0.19 1.11 0.21 0.00 0.00 0.00 175.10 177.43 2ysq s ASN 67 N 0.58 2.43 0.19 3.32 2.47 -1.26 -5.03 114.94 117.65 2ysq s ASN 67 Ca 0.54 1.95 0.04 0.00 0.42 0.00 0.00 52.86 55.80 2ysq s ASN 67 Cb -0.28 -2.47 -0.03 0.00 -1.45 0.00 0.00 41.25 37.02 2ysq s ASN 67 CO 0.31 -3.37 0.31 -1.10 -3.72 0.00 0.00 177.10 169.54 2ysq s GLN 68 N -4.62 3.42 0.51 0.43 -1.52 -1.26 -5.10 119.66 111.52 2ysq s GLN 68 Ca 0.67 -0.69 -0.19 0.00 -1.95 0.00 0.00 55.36 53.21 2ysq s GLN 68 Cb -0.23 -2.92 -0.08 0.00 -0.22 0.00 0.00 33.01 29.57 2ysq s GLN 68 CO 0.60 0.48 1.01 -1.83 -0.25 0.00 0.00 175.29 175.30 2ysq s GLU 69 N -3.58 3.80 0.46 2.91 -1.05 -1.26 -5.08 118.70 114.91 2ysq s GLU 69 Ca 0.34 1.19 0.05 0.00 -0.15 0.00 0.00 54.97 56.40 2ysq s GLU 69 Cb -0.10 -2.11 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 2ysq s GLU 69 CO 0.29 -0.41 0.08 0.16 0.95 0.00 0.00 175.26 176.33 2ysq s ASP 70 N -2.45 4.16 -1.21 0.83 1.47 -1.26 -4.80 116.67 113.40 2ysq s ASP 70 Ca 0.63 -1.41 -0.01 0.00 1.18 0.00 0.00 52.55 52.95 2ysq s ASP 70 Cb -0.13 0.01 -0.00 0.00 -0.34 0.00 0.00 42.92 42.46 2ysq s ASP 70 CO 0.25 -0.69 0.93 -0.62 0.68 0.00 0.00 175.17 175.72 2ysq n GLU 71 N -1.21 -5.92 -0.16 2.11 1.02 -1.26 -4.98 120.64 110.24 2ysq n GLU 71 Ca -0.09 0.80 -0.21 0.00 -0.02 0.00 0.00 57.16 57.64 2ysq n GLU 71 Cb 0.66 -5.70 0.20 0.00 -0.02 0.00 0.00 31.44 26.59 2ysq n GLU 71 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2ysq n VAL 72 N -4.10 0.00 -2.30 2.62 0.24 -1.26 -4.90 118.33 108.63 2ysq n VAL 72 Ca -0.28 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 2ysq n VAL 72 Cb 0.67 -0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2ysq n VAL 72 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ysq s GLU 73 N -4.39 4.35 0.32 7.34 2.56 -1.26 -5.02 118.70 122.60 2ysq s GLU 73 Ca 0.46 1.90 0.05 0.00 0.00 0.00 0.00 54.97 57.38 2ysq s GLU 73 Cb -0.08 -3.40 -0.06 0.00 2.00 0.00 0.00 34.13 32.59 2ysq s GLU 73 CO 0.38 -0.41 0.00 -1.83 -0.56 0.00 0.00 175.26 172.85 2ysq s GLU 74 N 1.52 1.66 0.18 4.30 -1.05 -1.26 -5.16 118.70 118.89 2ysq s GLU 74 Ca 0.61 -1.90 -0.15 0.00 -0.15 0.00 0.00 54.97 53.38 2ysq s GLU 74 Cb -0.32 -1.11 0.06 0.00 -0.44 0.00 0.00 34.13 32.32 2ysq s GLU 74 CO 0.28 -0.08 0.75 0.41 0.95 0.00 0.00 175.26 177.57 2ysq n GLY 75 N -0.69 0.87 3.69 -3.83 0.00 -1.26 -5.19 105.19 98.77 2ysq n GLY 75 Ca -0.04 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.19 -2.07 -3.67 1.61 2.88 -1.26 -5.19 113.62 104.73 2ysq n SER 76 Ca -0.03 -2.34 -0.15 0.00 -1.33 0.00 0.00 58.87 55.03 2ysq n SER 76 Cb 0.45 3.42 -0.08 0.00 -0.75 0.00 0.00 64.21 67.25 2ysq n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysq s GLY 77 N -3.14 -0.35 0.27 0.46 0.00 -1.26 -5.17 107.32 98.12 2ysq s GLY 77 Ca 0.18 1.00 -0.05 0.00 0.00 0.00 0.00 44.72 45.86 2ysq s GLY 77 CO 0.10 0.76 0.24 -1.55 0.00 0.00 0.00 173.10 172.64 2ysq n PRO 78 N 1.75 -1.49 -3.45 2.90 -0.04 -1.26 -5.11 135.00 128.30 2ysq n PRO 78 Ca -0.18 -0.38 -0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2ysq n PRO 78 Cb 0.56 -0.36 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 2ysq n PRO 78 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ysq s SER 79 N -2.16 -0.54 0.12 3.54 0.01 -1.26 -5.10 113.70 108.31 2ysq s SER 79 Ca 0.16 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2ysq s SER 79 Cb -0.02 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2ysq s SER 79 CO 0.12 -0.99 0.00 -0.24 0.41 0.00 0.00 173.24 172.54 2ysq n SER 80 N -0.38 0.31 -0.39 2.44 2.88 -1.26 -5.39 113.62 111.83 2ysq n SER 80 Ca -0.16 0.20 0.14 0.00 -1.33 0.00 0.00 58.87 57.73 2ysq n SER 80 Cb 0.64 0.02 0.61 0.00 -0.75 0.00 0.00 64.21 64.73 2ysq n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42