#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 5.97 0.23 1.61 0.15 -1.26 -5.13 113.70 115.27 2ysq s SER 2 Ca 0.00 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.59 2ysq s SER 2 Cb 0.00 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 2ysq s SER 2 CO 0.00 -0.21 0.19 -0.94 1.20 0.00 0.00 173.24 173.48 2ysq s SER 3 N -4.02 5.54 0.00 5.45 1.04 -1.26 -4.88 113.70 115.58 2ysq s SER 3 Ca 0.38 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2ysq s SER 3 Cb -0.09 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.61 2ysq s SER 3 CO 0.29 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.10 2ysq n GLY 4 N -1.00 -0.60 3.37 7.32 0.00 -1.26 -5.14 105.19 107.87 2ysq n GLY 4 Ca -0.08 0.41 0.02 0.00 0.00 0.00 0.00 46.02 46.37 2ysq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysq s SER 5 N 1.83 -1.25 0.77 1.61 0.15 -1.26 -4.74 113.70 110.80 2ysq s SER 5 Ca 0.00 1.16 -0.11 0.00 0.70 0.00 0.00 55.95 57.70 2ysq s SER 5 Cb 0.00 2.20 0.06 0.00 -1.71 0.00 0.00 66.02 66.57 2ysq s SER 5 CO 0.00 -0.24 1.10 -0.55 1.20 0.00 0.00 173.24 174.75 2ysq s SER 6 N 2.87 4.45 0.00 5.45 0.15 -1.23 -4.83 113.70 120.56 2ysq s SER 6 Ca 0.09 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.59 2ysq s SER 6 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2ysq s SER 6 CO -0.20 -2.07 0.00 0.61 1.20 0.00 0.00 173.24 172.78 2ysq n GLY 7 N -1.09 3.03 3.66 9.45 0.00 -1.26 -4.78 105.19 114.20 2ysq n GLY 7 Ca 0.09 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 3.55 -0.35 1.61 1.11 -1.26 -5.05 116.67 116.28 2ysq s ASP 8 Ca 0.00 -1.71 0.07 0.00 0.18 0.00 0.00 52.55 51.09 2ysq s ASP 8 Cb 0.00 0.62 0.58 0.00 1.07 0.00 0.00 42.92 45.19 2ysq s ASP 8 CO 0.00 -0.95 1.65 -0.24 1.18 0.00 0.00 175.17 176.81 2ysq n SER 9 N -1.37 3.09 -4.43 0.27 2.88 -1.26 -4.96 113.62 107.83 2ysq n SER 9 Ca -0.14 -3.67 -0.33 0.00 -1.33 0.00 0.00 58.87 53.40 2ysq n SER 9 Cb 0.66 -0.71 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 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 -3.24 3.06 0.03 2.46 -1.09 -1.26 -4.68 121.20 116.48 2ysq s ILE 10 Ca 0.50 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 2ysq s ILE 10 Cb 0.43 -2.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.06 2ysq s ILE 10 CO 0.05 0.56 -0.08 0.54 -1.23 0.00 0.00 174.94 174.78 2ysq s VAL 11 N -0.25 0.55 -0.05 2.92 0.11 -1.23 -5.06 120.40 117.39 2ysq s VAL 11 Ca 0.01 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 2ysq s VAL 11 Cb -0.13 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2ysq s VAL 11 CO 0.03 -0.26 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.01 2ysq s SER 12 N -1.28 4.53 0.18 3.54 0.01 -1.26 -1.16 113.70 118.26 2ysq s SER 12 Ca -0.07 -0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.18 2ysq s SER 12 Cb -0.08 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 2ysq s SER 12 CO 0.00 0.34 -0.16 0.00 0.41 0.00 0.00 173.24 173.83 2ysq s ALA 13 N -0.84 1.97 -0.20 1.44 0.00 -1.05 -2.30 121.76 120.78 2ysq s ALA 13 Ca 0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 2ysq s ALA 13 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2ysq s ALA 13 CO 0.03 0.14 -0.04 -2.00 0.00 0.00 0.00 175.76 173.89 2ysq s GLU 14 N -3.22 3.47 -0.54 0.00 2.12 0.63 -3.07 118.70 118.09 2ysq s GLU 14 Ca 0.19 -0.59 -0.27 0.00 0.36 0.00 0.00 54.97 54.65 2ysq s GLU 14 Cb -0.03 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2ysq s GLU 14 CO 0.06 -0.05 1.66 0.00 -0.54 0.00 0.00 175.26 176.40 2ysq s ALA 15 N 1.12 2.56 -0.10 6.30 0.00 -1.18 -1.62 121.76 128.85 2ysq s ALA 15 Ca 0.02 -0.51 0.10 0.00 0.00 0.00 0.00 51.96 51.56 2ysq s ALA 15 Cb -0.15 -4.17 -0.24 0.00 0.00 0.00 0.00 23.12 18.56 2ysq s ALA 15 CO -0.00 -3.28 0.46 1.33 0.00 0.00 0.00 175.76 174.26 2ysq n VAL 16 N 7.09 1.59 -4.10 0.00 0.24 -1.24 -0.50 118.33 121.41 2ysq n VAL 16 Ca 0.17 -0.77 -0.33 0.00 -2.04 0.00 0.00 64.34 61.38 2ysq n VAL 16 Cb 0.50 -1.07 -0.16 0.00 -1.47 0.00 0.00 33.84 31.64 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 -2.57 2.86 -0.08 6.34 0.52 -1.21 -4.69 118.94 120.11 2ysq s TRP 17 Ca -0.10 -1.80 -0.38 0.00 0.02 0.00 0.00 56.10 53.84 2ysq s TRP 17 Cb 0.07 -1.90 -0.15 0.00 -1.15 0.00 0.00 33.47 30.34 2ysq s TRP 17 CO 0.80 -0.82 1.59 -0.40 0.02 0.00 0.00 176.95 178.15 2ysq n ASP 18 N 4.58 2.27 -4.35 2.95 5.75 -1.26 -4.76 116.55 121.73 2ysq n ASP 18 Ca -0.19 1.08 -0.45 0.00 -0.01 0.00 0.00 54.79 55.22 2ysq n ASP 18 Cb 0.48 -1.21 -0.00 0.00 -1.03 0.00 0.00 41.12 39.36 2ysq n ASP 18 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2ysq s HIS 19 N 2.21 4.18 0.22 2.11 2.46 -0.73 -4.98 115.29 120.77 2ysq s HIS 19 Ca 0.91 -2.61 -0.32 0.00 0.47 0.00 0.00 55.06 53.51 2ysq s HIS 19 Cb -0.95 -3.88 -0.14 0.00 -0.13 0.00 0.00 32.58 27.47 2ysq s HIS 19 CO 0.55 -0.99 1.30 1.33 -2.47 0.00 0.00 174.74 174.45 2ysq n VAL 20 N 2.93 0.99 -3.75 0.89 0.24 -1.26 -3.96 118.33 114.40 2ysq n VAL 20 Ca 0.24 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.92 2ysq n VAL 20 Cb 0.40 -1.23 -0.12 0.00 -1.47 0.00 0.00 33.84 31.43 2ysq n VAL 20 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2ysq s THR 21 N -0.17 3.52 -0.27 3.34 -4.23 -1.26 -4.93 115.64 111.65 2ysq s THR 21 Ca 0.69 -1.66 0.13 0.00 -1.18 0.00 0.00 61.69 59.67 2ysq s THR 21 Cb -0.72 -3.23 0.47 0.00 1.34 0.00 0.00 72.50 70.36 2ysq s THR 21 CO 0.51 -0.48 1.17 0.23 -0.54 0.00 0.00 174.62 175.51 2ysq n MET 22 N 4.71 2.78 0.00 3.99 2.81 -1.26 -4.87 117.12 125.27 2ysq n MET 22 Ca -0.08 -3.84 0.00 0.00 -1.81 0.00 0.00 57.70 51.98 2ysq n MET 22 Cb 0.42 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysq n ALA 23 N -0.66 2.17 -3.17 3.04 0.00 -1.26 -5.11 120.51 115.52 2ysq n ALA 23 Ca 0.30 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.77 2ysq n ALA 23 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.34 2ysq n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ysq s ASN 24 N -2.07 -0.59 -1.37 0.00 3.84 -1.26 -4.96 114.94 108.52 2ysq s ASN 24 Ca 0.00 0.41 -0.14 0.00 0.21 0.00 0.00 52.86 53.34 2ysq s ASN 24 Cb 0.00 1.51 0.14 0.00 -0.55 0.00 0.00 41.25 42.36 2ysq s ASN 24 CO 0.00 -0.11 0.36 0.54 -2.79 0.00 0.00 177.10 175.10 2ysq n ARG 25 N 5.42 -0.82 -2.80 0.43 1.74 -1.26 -4.85 116.66 114.53 2ysq n ARG 25 Ca -0.06 0.10 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 2ysq n ARG 25 Cb 0.53 -3.38 -0.06 0.00 -1.02 0.00 0.00 32.46 28.54 2ysq n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2ysq s GLU 26 N -5.83 4.07 -0.24 5.56 2.56 -1.26 -4.96 118.70 118.60 2ysq s GLU 26 Ca 0.50 0.91 -0.28 0.00 0.00 0.00 0.00 54.97 56.11 2ysq s GLU 26 Cb -0.29 -2.25 -0.04 0.00 2.00 0.00 0.00 34.13 33.54 2ysq s GLU 26 CO 0.77 -0.05 2.14 -1.17 -0.56 0.00 0.00 175.26 176.40 2ysq s LEU 27 N -3.41 3.46 0.06 2.70 1.98 -1.26 -4.88 118.68 117.33 2ysq s LEU 27 Ca 0.58 1.80 0.03 0.00 -2.89 0.00 0.00 54.13 53.65 2ysq s LEU 27 Cb -0.10 -3.51 -0.04 0.00 0.66 0.00 0.00 46.19 43.20 2ysq s LEU 27 CO 0.20 -1.91 0.05 0.00 -1.89 0.00 0.00 176.35 172.80 2ysq s ALA 28 N 8.02 3.47 -0.12 5.97 0.00 -1.26 -4.85 121.76 132.99 2ysq s ALA 28 Ca 0.97 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 2ysq s ALA 28 Cb -0.31 -1.39 0.08 0.00 0.00 0.00 0.00 23.12 21.50 2ysq s ALA 28 CO 0.35 0.72 0.73 -0.59 0.00 0.00 0.00 175.76 176.97 2ysq s PHE 29 N -1.31 -0.66 0.17 0.00 -0.12 -1.25 -5.03 117.98 109.78 2ysq s PHE 29 Ca 0.26 1.28 0.05 0.00 -0.05 0.00 0.00 56.93 58.47 2ysq s PHE 29 Cb -0.12 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2ysq s PHE 29 CO 0.19 -0.52 0.15 -1.59 -0.05 0.00 0.00 175.22 173.40 2ysq s LYS 30 N -0.76 2.92 -0.45 1.99 0.00 -1.26 -1.77 119.74 120.41 2ysq s LYS 30 Ca -0.07 -0.88 -0.32 0.00 0.00 0.00 0.00 55.97 54.71 2ysq s LYS 30 Cb -0.01 -2.65 -0.11 0.00 0.00 0.00 0.00 37.83 35.05 2ysq s LYS 30 CO 0.07 0.48 2.31 0.00 0.00 0.00 0.00 175.35 178.21 2ysq n ALA 31 N -0.43 0.99 0.00 0.59 0.00 -1.26 -1.08 120.51 119.32 2ysq n ALA 31 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2ysq n ALA 31 Cb 0.55 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 6.34 1.05 3.73 0.00 0.00 0.34 -4.99 105.19 111.67 2ysq n GLY 32 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.53 6.75 -0.15 1.61 1.11 -0.24 -4.80 116.67 120.42 2ysq s ASP 33 Ca 0.00 2.52 -0.18 0.00 0.18 0.00 0.00 52.55 55.07 2ysq s ASP 33 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2ysq s ASP 33 CO 0.00 -0.65 0.49 -0.69 1.18 0.00 0.00 175.17 175.50 2ysq s VAL 34 N 0.34 5.16 0.07 -1.27 1.01 -1.26 -3.11 120.40 121.34 2ysq s VAL 34 Ca 0.61 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.62 2ysq s VAL 34 Cb -0.40 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2ysq s VAL 34 CO 0.38 0.27 -0.20 -0.63 0.00 0.00 0.00 175.10 174.93 2ysq s ILE 35 N 0.98 2.70 -0.46 2.22 1.01 -1.17 -4.90 121.20 121.58 2ysq s ILE 35 Ca 0.25 -1.33 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 2ysq s ILE 35 Cb -0.15 -2.16 0.12 0.00 0.01 0.00 0.00 42.46 40.28 2ysq s ILE 35 CO 0.10 0.26 0.32 -0.75 0.00 0.00 0.00 174.94 174.88 2ysq s LYS 36 N -1.64 2.40 0.52 2.79 2.20 -0.80 -2.52 119.74 122.69 2ysq s LYS 36 Ca 0.15 -1.78 -0.21 0.00 -0.36 0.00 0.00 55.97 53.77 2ysq s LYS 36 Cb -0.10 -3.87 -0.06 0.00 -1.51 0.00 0.00 37.83 32.29 2ysq s LYS 36 CO 0.06 -1.18 1.22 0.08 -0.36 0.00 0.00 175.35 175.17 2ysq s VAL 37 N 1.32 2.74 -0.04 4.02 1.01 -0.31 -1.41 120.40 127.73 2ysq s VAL 37 Ca 0.06 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2ysq s VAL 37 Cb -0.26 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2ysq s VAL 37 CO -0.01 -0.04 -0.05 0.18 0.00 0.00 0.00 175.10 175.18 2ysq n LEU 38 N -0.99 1.64 -4.25 3.92 4.77 0.20 -3.49 117.00 118.80 2ysq n LEU 38 Ca 0.10 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 2ysq n LEU 38 Cb 0.48 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2ysq n LEU 38 CO 0.47 0.33 0.51 -1.81 -1.33 0.00 0.00 177.39 175.56 2ysq s ASP 39 N -4.90 6.63 -0.58 -1.43 1.11 -1.26 -4.78 116.67 111.46 2ysq s ASP 39 Ca -0.06 -3.36 0.06 0.00 0.18 0.00 0.00 52.55 49.37 2ysq s ASP 39 Cb 0.02 -2.09 0.22 0.00 1.07 0.00 0.00 42.92 42.14 2ysq s ASP 39 CO 0.09 -0.33 0.61 0.00 1.18 0.00 0.00 175.17 176.71 2ysq n ALA 40 N 2.96 3.48 -3.71 5.23 0.00 -1.26 -3.79 120.51 123.42 2ysq n ALA 40 Ca 0.19 -4.28 -0.28 0.00 0.00 0.00 0.00 53.44 49.07 2ysq n ALA 40 Cb 0.40 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 2ysq n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ysq s SER 41 N -1.75 3.53 -1.28 0.00 0.01 -1.26 -4.87 113.70 108.08 2ysq s SER 41 Ca 0.35 -3.41 -0.00 0.00 1.31 0.00 0.00 55.95 54.19 2ysq s SER 41 Cb 0.10 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2ysq s SER 41 CO -0.09 -0.14 0.78 0.59 0.41 0.00 0.00 173.24 174.80 2ysq n ASN 42 N 2.49 -1.46 -4.20 2.44 4.13 -1.26 -5.00 115.26 112.40 2ysq n ASN 42 Ca 0.21 -0.77 -0.19 0.00 1.68 0.00 0.00 54.58 55.52 2ysq n ASN 42 Cb 0.39 -4.33 -0.12 0.00 -1.54 0.00 0.00 39.78 34.18 2ysq n ASN 42 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2ysq s LYS 43 N -5.84 0.89 -0.05 3.52 2.20 -1.26 -5.07 119.74 114.14 2ysq s LYS 43 Ca 0.02 -1.05 -0.25 0.00 -0.36 0.00 0.00 55.97 54.33 2ysq s LYS 43 Cb -0.01 -0.88 -0.20 0.00 -1.51 0.00 0.00 37.83 35.24 2ysq s LYS 43 CO 0.79 0.19 1.07 -0.44 -0.36 0.00 0.00 175.35 176.60 2ysq h ASP 44 N 4.05 -0.07 -3.47 1.43 3.32 -1.96 -3.43 116.42 116.29 2ysq h ASP 44 Ca -0.41 -0.52 -0.65 0.00 0.02 0.00 0.00 57.03 55.48 2ysq h ASP 44 Cb 1.19 0.02 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 2ysq h ASP 44 CO 0.43 0.52 -0.66 0.26 -1.72 0.00 0.00 179.24 178.07 2ysq s TRP 45 N -3.70 3.04 0.49 4.55 0.52 -1.26 -3.19 118.94 119.38 2ysq s TRP 45 Ca -0.15 -0.52 0.07 0.00 0.02 0.00 0.00 56.10 55.51 2ysq s TRP 45 Cb 0.01 -2.12 0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2ysq s TRP 45 CO 0.61 -0.31 0.43 -1.58 0.02 0.00 0.00 176.95 176.12 2ysq s TRP 46 N 1.19 2.11 -0.27 -1.98 0.51 -1.19 -4.97 118.94 114.35 2ysq s TRP 46 Ca 0.03 -0.67 -0.12 0.00 -2.12 0.00 0.00 56.10 53.22 2ysq s TRP 46 Cb -0.14 -2.06 -0.05 0.00 -0.81 0.00 0.00 33.47 30.41 2ysq s TRP 46 CO 0.01 -0.38 0.24 -0.46 -0.51 0.00 0.00 176.95 175.86 2ysq s TRP 47 N -2.62 3.25 0.06 -1.98 -0.11 -1.25 -2.36 118.94 113.93 2ysq s TRP 47 Ca 0.44 0.24 -0.12 0.00 1.22 0.00 0.00 56.10 57.88 2ysq s TRP 47 Cb -0.03 -2.42 -0.06 0.00 -1.50 0.00 0.00 33.47 29.47 2ysq s TRP 47 CO 0.26 -0.13 0.42 0.20 -4.62 0.00 0.00 176.95 173.09 2ysq s GLY 48 N 1.56 2.40 -0.14 5.86 0.00 0.39 -0.63 107.32 116.77 2ysq s GLY 48 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 2ysq s GLY 48 CO 0.09 -0.02 -0.02 1.62 0.00 0.00 0.00 173.10 174.77 2ysq s GLN 49 N -1.66 0.99 0.18 2.90 0.74 -0.50 -1.43 119.66 120.89 2ysq s GLN 49 Ca 0.31 -0.26 0.09 0.00 0.05 0.00 0.00 55.36 55.54 2ysq s GLN 49 Cb -0.15 -1.65 -0.04 0.00 1.10 0.00 0.00 33.01 32.26 2ysq s GLN 49 CO 0.17 -0.42 -0.07 0.42 -0.55 0.00 0.00 175.29 174.83 2ysq s ILE 50 N 1.80 3.31 0.07 -2.34 1.01 0.15 -1.90 121.20 123.30 2ysq s ILE 50 Ca 0.02 -1.62 -0.14 0.00 0.00 0.00 0.00 60.65 58.91 2ysq s ILE 50 Cb -0.14 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2ysq s ILE 50 CO -0.07 -0.12 0.89 0.47 0.00 0.00 0.00 174.94 176.11 2ysq n ASP 51 N -0.03 -0.48 -0.11 3.58 8.00 -1.26 -3.17 116.55 123.08 2ysq n ASP 51 Ca -0.10 1.00 -0.19 0.00 0.71 0.00 0.00 54.79 56.21 2ysq n ASP 51 Cb 0.55 -0.20 -0.10 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 -4.16 2.09 -4.80 -2.24 9.92 -1.26 -4.99 116.55 111.11 2ysq n ASP 52 Ca 0.01 0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 53.94 2ysq n ASP 52 Cb 0.12 -0.46 -0.04 0.00 -0.64 0.00 0.00 41.12 40.09 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ysq s GLU 53 N -2.44 3.94 -0.18 -1.24 2.02 -1.19 -5.07 118.70 114.54 2ysq s GLU 53 Ca -0.31 1.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.81 2ysq s GLU 53 Cb 0.09 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 32.23 2ysq s GLU 53 CO 0.48 -0.31 0.49 -1.21 0.02 0.00 0.00 175.26 174.74 2ysq s GLU 54 N -3.18 0.59 0.00 1.61 2.02 -1.26 0.31 118.70 118.79 2ysq s GLU 54 Ca 0.65 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.30 2ysq s GLU 54 Cb -0.15 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.37 2ysq s GLU 54 CO 0.18 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2ysq n GLY 55 N 2.73 -1.36 4.01 -1.39 0.00 -0.51 -4.63 105.19 104.05 2ysq n GLY 55 Ca -0.14 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.91 2.44 -0.23 1.61 -2.14 -1.26 0.15 118.94 116.59 2ysq s TRP 56 Ca 0.00 -0.44 -0.30 0.00 2.66 0.00 0.00 56.10 58.02 2ysq s TRP 56 Cb 0.00 -2.39 0.17 0.00 -3.10 0.00 0.00 33.47 28.14 2ysq s TRP 56 CO 0.00 -0.68 1.21 -0.59 -2.66 0.00 0.00 176.95 174.23 2ysq s PHE 57 N -2.49 -0.17 -0.09 1.66 -0.12 -1.00 -4.08 117.98 111.70 2ysq s PHE 57 Ca 0.57 0.28 -0.30 0.00 -0.05 0.00 0.00 56.93 57.44 2ysq s PHE 57 Cb -0.09 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2ysq s PHE 57 CO 0.35 -0.16 1.52 -1.25 -0.05 0.00 0.00 175.22 175.64 2ysq s PRO 58 N -1.10 4.20 0.41 1.99 0.04 -1.26 -3.15 135.00 136.12 2ysq s PRO 58 Ca 0.05 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2ysq s PRO 58 Cb -0.01 -3.91 0.85 0.00 0.04 0.00 0.00 34.50 31.48 2ysq s PRO 58 CO -0.04 -0.80 2.05 0.00 0.04 0.00 0.00 177.00 178.25 2ysq h ALA 59 N 9.07 1.69 0.00 8.56 0.00 -1.86 -1.00 119.26 135.73 2ysq h ALA 59 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ysq h ALA 59 Cb 1.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ysq h ALA 59 CO 0.96 0.28 0.10 -1.13 0.00 0.00 0.00 179.25 179.45 2ysq n SER 60 N -4.46 0.43 -0.02 0.00 3.41 -1.26 -0.30 113.62 111.41 2ysq n SER 60 Ca 0.03 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 59.22 2ysq n SER 60 Cb 0.08 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 2ysq n SER 60 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2ysq n PHE 61 N -2.10 0.92 -4.89 7.33 3.01 -0.38 -4.89 117.46 116.47 2ysq n PHE 61 Ca -0.01 0.33 -0.33 0.00 1.01 0.00 0.00 57.45 58.45 2ysq n PHE 61 Cb 0.12 -1.16 -0.13 0.00 -0.01 0.00 0.00 39.48 38.30 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 -2.62 3.05 -0.12 -4.37 -7.23 0.58 -3.35 120.40 106.35 2ysq s VAL 62 Ca -0.05 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 2ysq s VAL 62 Cb 0.08 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2ysq s VAL 62 CO 0.82 0.59 0.27 0.00 -0.31 0.00 0.00 175.10 176.47 2ysq s ARG 63 N -0.65 3.99 1.00 4.82 1.70 -0.64 -4.81 118.95 124.37 2ysq s ARG 63 Ca 0.10 0.08 -0.13 0.00 -0.47 0.00 0.00 55.73 55.31 2ysq s ARG 63 Cb -0.11 -3.33 0.11 0.00 -0.57 0.00 0.00 34.95 31.05 2ysq s ARG 63 CO 0.01 0.46 0.60 1.28 -1.08 0.00 0.00 175.30 176.57 2ysq n LEU 64 N 2.83 0.12 -1.44 -1.89 7.99 -1.26 -0.27 117.00 123.09 2ysq n LEU 64 Ca -0.15 0.20 -0.08 0.00 -0.01 0.00 0.00 56.01 55.97 2ysq n LEU 64 Cb 0.53 -1.24 0.06 0.00 -0.11 0.00 0.00 43.42 42.66 2ysq n LEU 64 CO 0.37 -3.12 0.79 0.79 -1.51 0.00 0.00 177.39 174.71 2ysq n TRP 65 N -4.11 1.04 -3.88 -1.77 7.02 -0.97 -4.64 117.44 110.13 2ysq n TRP 65 Ca 0.06 -1.00 -0.09 0.00 -1.02 0.00 0.00 57.50 55.45 2ysq n TRP 65 Cb 0.55 -0.51 -0.08 0.00 -2.42 0.00 0.00 31.31 28.85 2ysq n TRP 65 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2ysq s VAL 66 N -1.14 0.13 0.83 -0.99 0.11 -1.26 -5.10 120.40 112.99 2ysq s VAL 66 Ca 0.19 -1.10 -0.07 0.00 -2.93 0.00 0.00 61.98 58.08 2ysq s VAL 66 Cb 0.16 -1.11 0.17 0.00 -1.53 0.00 0.00 36.38 34.07 2ysq s VAL 66 CO 0.03 -0.60 1.14 0.20 -3.33 0.00 0.00 175.10 172.54 2ysq s ASN 67 N -2.44 3.73 0.16 3.54 0.01 -1.26 -4.98 114.94 113.70 2ysq s ASN 67 Ca -0.01 -0.20 -0.33 0.00 -0.71 0.00 0.00 52.86 51.61 2ysq s ASN 67 Cb 0.02 0.02 -0.16 0.00 0.41 0.00 0.00 41.25 41.54 2ysq s ASN 67 CO -0.07 -2.30 1.14 0.00 -1.51 0.00 0.00 177.10 174.36 2ysq n GLN 68 N -3.25 1.06 -2.46 -0.60 1.13 -1.26 -4.90 117.38 107.11 2ysq n GLN 68 Ca 0.16 0.38 -0.40 0.00 -1.94 0.00 0.00 57.00 55.20 2ysq n GLN 68 Cb 0.60 -1.86 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 2ysq n GLN 68 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2ysq s GLU 69 N -0.36 4.60 0.69 -1.09 2.56 -1.26 -5.05 118.70 118.79 2ysq s GLU 69 Ca 0.74 1.81 0.02 0.00 0.00 0.00 0.00 54.97 57.54 2ysq s GLU 69 Cb -0.88 -3.15 0.12 0.00 2.00 0.00 0.00 34.13 32.22 2ysq s GLU 69 CO 0.52 0.18 0.95 -0.51 -0.56 0.00 0.00 175.26 175.84 2ysq s ASP 70 N -0.90 4.51 -0.03 -1.70 1.01 -1.26 -4.98 116.67 113.31 2ysq s ASP 70 Ca 0.45 -0.51 -0.40 0.00 0.71 0.00 0.00 52.55 52.81 2ysq s ASP 70 Cb -0.32 0.10 -0.20 0.00 1.01 0.00 0.00 42.92 43.52 2ysq s ASP 70 CO 0.41 -1.75 1.09 1.21 0.21 0.00 0.00 175.17 176.34 2ysq n GLU 71 N -2.70 0.00 -0.98 8.23 4.07 -1.26 -4.75 120.64 123.25 2ysq n GLU 71 Ca 0.15 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.94 2ysq n GLU 71 Cb 0.61 -1.48 0.01 0.00 -0.06 0.00 0.00 31.44 30.52 2ysq n GLU 71 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2ysq n VAL 72 N 1.65 0.00 -3.66 6.31 0.24 -1.26 -4.99 118.33 116.62 2ysq n VAL 72 Ca 0.21 -0.41 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 2ysq n VAL 72 Cb 0.07 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.94 0.60 0.52 7.34 2.12 -1.26 -5.17 118.70 121.90 2ysq s GLU 73 Ca 0.44 1.06 -0.03 0.00 0.36 0.00 0.00 54.97 56.80 2ysq s GLU 73 Cb -0.36 0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.12 2ysq s GLU 73 CO 0.56 -0.15 0.78 -1.21 -0.54 0.00 0.00 175.26 174.70 2ysq s GLU 74 N 1.50 3.05 -0.02 4.30 0.41 -1.26 -5.09 118.70 121.59 2ysq s GLU 74 Ca -0.09 -0.20 -0.27 0.00 -0.41 0.00 0.00 54.97 54.00 2ysq s GLU 74 Cb -0.06 -2.41 0.09 0.00 -1.78 0.00 0.00 34.13 29.97 2ysq s GLU 74 CO -0.17 -0.45 1.22 0.41 -0.49 0.00 0.00 175.26 175.78 2ysq n GLY 75 N -2.32 0.23 3.65 -1.39 0.00 -1.26 -5.19 105.19 98.90 2ysq n GLY 75 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 2ysq n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysq s SER 76 N -3.71 -0.12 -0.11 1.61 1.04 -1.26 -4.79 113.70 106.37 2ysq s SER 76 Ca 0.29 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.24 2ysq s SER 76 Cb -0.01 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.45 2ysq s SER 76 CO -0.01 -0.47 0.74 -0.83 0.98 0.00 0.00 173.24 173.65 2ysq s GLY 77 N -2.84 -0.52 0.46 7.32 0.00 -1.26 -4.73 107.32 105.75 2ysq s GLY 77 Ca 0.13 1.57 -0.08 0.00 0.00 0.00 0.00 44.72 46.34 2ysq s GLY 77 CO -0.03 1.12 0.41 -1.55 0.00 0.00 0.00 173.10 173.06 2ysq n PRO 78 N 1.21 -1.82 -3.38 2.90 -0.04 -1.26 -3.54 135.00 129.07 2ysq n PRO 78 Ca -0.17 -0.66 -0.19 0.00 -0.04 0.00 0.00 63.50 62.45 2ysq n PRO 78 Cb 0.57 -0.61 0.07 0.00 -0.04 0.00 0.00 33.50 33.48 2ysq n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ysq n SER 79 N -3.70 -4.82 -0.38 3.54 7.64 -1.26 -4.86 113.62 109.77 2ysq n SER 79 Ca 0.06 -0.48 -0.03 0.00 1.01 0.00 0.00 58.87 59.43 2ysq n SER 79 Cb 0.22 -4.39 0.01 0.00 -1.01 0.00 0.00 64.21 59.04 2ysq n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ysq n SER 80 N -2.47 -0.72 0.00 6.43 2.88 -1.26 -5.03 113.62 113.45 2ysq n SER 80 Ca -0.06 1.71 0.00 0.00 -1.33 0.00 0.00 58.87 59.19 2ysq n SER 80 Cb 0.57 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2ysq n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42