#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysq n SER 2 N 0.00 -5.20 -4.31 1.61 7.64 -1.26 -5.00 113.62 107.09 2ysq n SER 2 Ca 0.00 -0.53 -0.32 0.00 1.01 0.00 0.00 58.87 59.03 2ysq n SER 2 Cb 0.00 -4.81 -0.16 0.00 -1.01 0.00 0.00 64.21 58.23 2ysq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ysq s SER 3 N -3.53 3.33 -0.37 6.43 0.01 -1.26 -5.04 113.70 113.27 2ysq s SER 3 Ca 0.43 -0.44 0.12 0.00 1.31 0.00 0.00 55.95 57.36 2ysq s SER 3 Cb -0.19 -0.98 0.44 0.00 0.21 0.00 0.00 66.02 65.51 2ysq s SER 3 CO 0.69 0.24 1.02 0.61 0.41 0.00 0.00 173.24 176.21 2ysq n GLY 4 N 2.97 3.53 2.16 3.44 0.00 -1.26 -4.86 105.19 111.17 2ysq n GLY 4 Ca -0.18 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 2ysq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysq n SER 5 N -0.24 5.84 -3.71 1.61 2.88 -1.26 -4.97 113.62 113.77 2ysq n SER 5 Ca 0.22 -3.76 -0.12 0.00 -1.33 0.00 0.00 58.87 53.88 2ysq n SER 5 Cb 0.75 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 63.55 2ysq n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ysq s SER 6 N -2.99 -0.52 0.00 -3.46 0.15 -1.26 -5.14 113.70 100.48 2ysq s SER 6 Ca 0.55 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2ysq s SER 6 Cb 0.44 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 2ysq s SER 6 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2ysq n GLY 7 N 3.21 0.46 3.41 9.45 0.00 -1.26 -5.16 105.19 115.30 2ysq n GLY 7 Ca -0.16 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 2ysq n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ysq n ASP 8 N 0.00 -1.90 -4.08 1.61 8.00 -1.26 -5.03 116.55 113.89 2ysq n ASP 8 Ca 0.00 0.17 -0.18 0.00 0.71 0.00 0.00 54.79 55.49 2ysq n ASP 8 Cb 0.00 -1.17 -0.14 0.00 -0.02 0.00 0.00 41.12 39.80 2ysq n ASP 8 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ysq s SER 9 N -2.06 1.28 -0.16 -2.24 0.15 -1.26 -5.13 113.70 104.28 2ysq s SER 9 Ca 0.58 -0.35 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 2ysq s SER 9 Cb -0.19 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 2ysq s SER 9 CO 0.66 0.03 0.47 -0.63 1.20 0.00 0.00 173.24 174.97 2ysq s ILE 10 N -0.67 5.17 0.02 6.45 1.09 -1.26 -5.07 121.20 126.92 2ysq s ILE 10 Ca 0.01 0.90 0.06 0.00 -1.10 0.00 0.00 60.65 60.51 2ysq s ILE 10 Cb -0.06 -3.80 -0.02 0.00 -1.06 0.00 0.00 42.46 37.51 2ysq s ILE 10 CO 0.00 0.27 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.24 2ysq s VAL 11 N 1.06 1.43 0.01 2.92 1.01 -1.26 -5.05 120.40 120.53 2ysq s VAL 11 Ca 0.24 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2ysq s VAL 11 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2ysq s VAL 11 CO 0.09 0.26 0.07 -0.55 0.00 0.00 0.00 175.10 174.98 2ysq s SER 12 N -0.80 5.61 -0.02 3.32 0.15 -1.26 -2.64 113.70 118.06 2ysq s SER 12 Ca 0.06 0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.87 2ysq s SER 12 Cb -0.08 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 2ysq s SER 12 CO 0.00 0.25 -0.18 0.00 1.20 0.00 0.00 173.24 174.51 2ysq s ALA 13 N -1.22 2.51 -0.14 5.45 0.00 -0.51 -3.12 121.76 124.72 2ysq s ALA 13 Ca 0.24 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 2ysq s ALA 13 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2ysq s ALA 13 CO 0.15 0.55 0.46 -2.00 0.00 0.00 0.00 175.76 174.93 2ysq s GLU 14 N -0.84 4.30 0.09 0.00 2.12 0.98 -2.41 118.70 122.94 2ysq s GLU 14 Ca 0.12 0.39 -0.32 0.00 0.36 0.00 0.00 54.97 55.52 2ysq s GLU 14 Cb -0.10 -3.46 -0.11 0.00 0.26 0.00 0.00 34.13 30.71 2ysq s GLU 14 CO 0.01 0.10 1.81 0.00 -0.54 0.00 0.00 175.26 176.64 2ysq n ALA 15 N 3.91 1.82 -0.10 6.30 0.00 -1.10 -1.86 120.51 129.47 2ysq n ALA 15 Ca -0.07 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 2ysq n ALA 15 Cb 0.51 -2.54 -0.13 0.00 0.00 0.00 0.00 19.45 17.29 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 4.61 1.29 -4.48 0.00 0.31 -1.09 -2.96 118.33 116.02 2ysq n VAL 16 Ca 0.19 -0.67 -0.21 0.00 -0.01 0.00 0.00 64.34 63.64 2ysq n VAL 16 Cb 0.35 -0.85 -0.14 0.00 -0.91 0.00 0.00 33.84 32.29 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 -2.45 1.31 0.00 3.52 0.52 -1.20 -4.83 118.94 115.81 2ysq s TRP 17 Ca -0.18 -0.32 -0.30 0.00 0.02 0.00 0.00 56.10 55.31 2ysq s TRP 17 Cb 0.07 -0.80 -0.06 0.00 -1.15 0.00 0.00 33.47 31.53 2ysq s TRP 17 CO 0.66 0.03 1.54 -0.51 0.02 0.00 0.00 176.95 178.69 2ysq s ASP 18 N -0.91 6.73 -0.68 2.95 1.01 -1.26 -4.36 116.67 120.14 2ysq s ASP 18 Ca 0.03 2.25 -0.05 0.00 0.71 0.00 0.00 52.55 55.49 2ysq s ASP 18 Cb -0.07 -2.55 0.18 0.00 1.01 0.00 0.00 42.92 41.48 2ysq s ASP 18 CO 0.01 -0.83 0.53 -2.28 0.21 0.00 0.00 175.17 172.81 2ysq s HIS 19 N 2.95 3.49 0.06 4.23 5.65 -0.00 -4.96 115.29 126.71 2ysq s HIS 19 Ca 0.69 -2.58 -0.14 0.00 0.25 0.00 0.00 55.06 53.28 2ysq s HIS 19 Cb -0.34 -3.34 -0.06 0.00 -1.18 0.00 0.00 32.58 27.66 2ysq s HIS 19 CO 0.29 -0.87 0.46 0.14 -0.65 0.00 0.00 174.74 174.11 2ysq s VAL 20 N -0.09 4.96 -0.23 0.89 -7.23 -1.26 -3.31 120.40 114.12 2ysq s VAL 20 Ca 0.18 0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 60.86 2ysq s VAL 20 Cb -0.18 -3.73 0.16 0.00 0.56 0.00 0.00 36.38 33.19 2ysq s VAL 20 CO -0.05 0.44 1.22 0.28 -0.31 0.00 0.00 175.10 176.68 2ysq s THR 21 N -1.24 0.00 -0.37 5.32 -1.32 -1.26 -5.07 115.64 111.71 2ysq s THR 21 Ca 0.30 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.89 2ysq s THR 21 Cb -0.16 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.27 2ysq s THR 21 CO 0.17 0.00 1.06 0.80 -2.21 0.00 0.00 174.62 174.44 2ysq n MET 22 N 0.49 2.53 -3.64 7.08 1.56 -1.26 -4.94 117.12 118.95 2ysq n MET 22 Ca -0.03 -3.96 -0.24 0.00 -0.27 0.00 0.00 57.70 53.19 2ysq n MET 22 Cb 0.58 -1.86 0.01 0.00 2.15 0.00 0.00 33.22 34.10 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 -3.43 4.46 0.44 -5.12 0.00 -1.26 -5.11 121.76 111.74 2ysq s ALA 23 Ca 0.39 -1.55 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 2ysq s ALA 23 Cb 0.42 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 22.50 2ysq s ALA 23 CO -0.07 -0.52 0.99 0.54 0.00 0.00 0.00 175.76 176.69 2ysq s ASN 24 N -4.36 6.76 -1.52 0.00 2.20 -1.26 -3.84 114.94 112.92 2ysq s ASN 24 Ca 0.42 1.82 -0.01 0.00 -0.94 0.00 0.00 52.86 54.16 2ysq s ASN 24 Cb -0.03 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.67 2ysq s ASN 24 CO 0.26 -0.49 0.12 0.54 -2.94 0.00 0.00 177.10 174.60 2ysq n ARG 25 N -0.58 -1.53 -4.48 3.55 5.12 -1.26 -4.92 116.66 112.57 2ysq n ARG 25 Ca 0.07 0.17 -0.34 0.00 -1.93 0.00 0.00 57.85 55.82 2ysq n ARG 25 Cb 0.53 -3.84 -0.13 0.00 -1.16 0.00 0.00 32.46 27.85 2ysq n ARG 25 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2ysq s GLU 26 N -7.18 3.57 -0.80 5.56 4.04 -1.25 -3.67 118.70 118.96 2ysq s GLU 26 Ca 0.02 -0.58 -0.22 0.00 0.04 0.00 0.00 54.97 54.24 2ysq s GLU 26 Cb -0.01 -2.84 0.08 0.00 0.02 0.00 0.00 34.13 31.38 2ysq s GLU 26 CO 0.97 0.20 1.12 -1.17 -1.84 0.00 0.00 175.26 174.54 2ysq s LEU 27 N 0.44 4.34 0.40 1.83 0.20 -1.20 -4.72 118.68 119.98 2ysq s LEU 27 Ca -0.05 -1.33 -0.22 0.00 0.69 0.00 0.00 54.13 53.21 2ysq s LEU 27 Cb -0.15 -2.45 -0.10 0.00 -0.43 0.00 0.00 46.19 43.06 2ysq s LEU 27 CO 0.03 -1.37 0.96 0.00 -0.29 0.00 0.00 176.35 175.68 2ysq s ALA 28 N 3.94 3.07 -0.29 5.97 0.00 -1.26 -4.83 121.76 128.37 2ysq s ALA 28 Ca 0.30 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 52.48 2ysq s ALA 28 Cb -0.10 -3.18 0.17 0.00 0.00 0.00 0.00 23.12 20.01 2ysq s ALA 28 CO 0.02 0.08 1.29 -0.59 0.00 0.00 0.00 175.76 176.56 2ysq s PHE 29 N -1.98 -0.20 0.34 0.00 -0.12 -1.21 -4.96 117.98 109.86 2ysq s PHE 29 Ca 0.59 0.47 0.08 0.00 -0.05 0.00 0.00 56.93 58.02 2ysq s PHE 29 Cb -0.13 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2ysq s PHE 29 CO 0.17 -0.10 0.18 0.15 -0.05 0.00 0.00 175.22 175.57 2ysq s LYS 30 N -0.03 2.46 -0.30 1.99 1.02 -1.26 -0.82 119.74 122.79 2ysq s LYS 30 Ca 0.06 -1.49 -0.35 0.00 0.02 0.00 0.00 55.97 54.21 2ysq s LYS 30 Cb -0.05 -2.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 2ysq s LYS 30 CO -0.11 0.10 2.12 0.00 -0.92 0.00 0.00 175.35 176.53 2ysq n ALA 31 N -1.21 0.98 0.00 5.17 0.00 -1.26 -1.71 120.51 122.48 2ysq n ALA 31 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ysq n ALA 31 Cb 0.61 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 6.04 3.73 3.22 0.00 0.00 -1.15 -5.02 105.19 112.01 2ysq n GLY 32 Ca 0.37 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -3.93 -4.15 1.61 9.92 -0.69 -4.59 116.55 114.73 2ysq n ASP 33 Ca 0.00 0.28 -0.34 0.00 -0.53 0.00 0.00 54.79 54.20 2ysq n ASP 33 Cb 0.00 -0.99 -0.14 0.00 -0.64 0.00 0.00 41.12 39.35 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 -2.17 2.79 -0.24 2.53 1.01 -1.26 -2.70 120.40 120.35 2ysq s VAL 34 Ca 0.49 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 2ysq s VAL 34 Cb -0.21 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2ysq s VAL 34 CO 0.74 -0.11 0.34 -0.63 0.00 0.00 0.00 175.10 175.44 2ysq s ILE 35 N 1.21 5.22 -0.38 2.22 1.09 -1.01 -4.73 121.20 124.81 2ysq s ILE 35 Ca -0.06 0.55 -0.18 0.00 -1.10 0.00 0.00 60.65 59.86 2ysq s ILE 35 Cb -0.20 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.54 2ysq s ILE 35 CO -0.02 0.22 0.51 -0.75 -0.10 0.00 0.00 174.94 174.80 2ysq s LYS 36 N 1.64 3.43 0.17 2.79 2.47 -0.98 -1.42 119.74 127.84 2ysq s LYS 36 Ca 0.15 -0.35 -0.30 0.00 -1.56 0.00 0.00 55.97 53.90 2ysq s LYS 36 Cb -0.15 -3.87 -0.08 0.00 -1.46 0.00 0.00 37.83 32.27 2ysq s LYS 36 CO 0.08 -0.76 1.21 0.08 0.16 0.00 0.00 175.35 176.13 2ysq s VAL 37 N 2.40 3.58 -0.00 4.02 1.01 -1.08 0.20 120.40 130.53 2ysq s VAL 37 Ca 0.18 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.39 2ysq s VAL 37 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2ysq s VAL 37 CO 0.14 0.19 -0.11 0.18 0.00 0.00 0.00 175.10 175.50 2ysq n LEU 38 N 2.74 1.25 -4.20 3.92 4.77 0.19 -4.34 117.00 121.33 2ysq n LEU 38 Ca 0.05 0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 2ysq n LEU 38 Cb 0.45 -0.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 2ysq n LEU 38 CO 0.56 -0.57 -0.52 -1.81 -1.33 0.00 0.00 177.39 173.73 2ysq s ASP 39 N -5.81 3.33 -0.44 -1.43 1.11 -1.25 -4.98 116.67 107.21 2ysq s ASP 39 Ca -0.09 -0.56 0.05 0.00 0.18 0.00 0.00 52.55 52.12 2ysq s ASP 39 Cb 0.01 -1.50 0.42 0.00 1.07 0.00 0.00 42.92 42.92 2ysq s ASP 39 CO 0.14 0.06 1.12 0.00 1.18 0.00 0.00 175.17 177.67 2ysq n ALA 40 N 4.20 5.08 0.29 5.23 0.00 -1.26 -1.52 120.51 132.52 2ysq n ALA 40 Ca -0.20 -4.31 0.04 0.00 0.00 0.00 0.00 53.44 48.96 2ysq n ALA 40 Cb 0.51 -0.54 0.17 0.00 0.00 0.00 0.00 19.45 19.59 2ysq n ALA 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ysq n SER 41 N -0.49 0.00 -4.77 0.00 3.41 -1.26 -4.69 113.62 105.82 2ysq n SER 41 Ca 0.39 0.41 -0.26 0.00 -0.26 0.00 0.00 58.87 59.15 2ysq n SER 41 Cb 0.67 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2ysq n SER 41 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ysq n ASN 42 N -1.44 2.74 -0.11 4.04 2.85 -1.24 -5.07 115.26 117.03 2ysq n ASN 42 Ca 0.02 -2.86 -0.14 0.00 -0.11 0.00 0.00 54.58 51.49 2ysq n ASN 42 Cb 0.08 -0.03 -0.14 0.00 1.24 0.00 0.00 39.78 40.93 2ysq n ASN 42 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2ysq n LYS 43 N -1.74 0.68 -0.39 1.20 2.85 -1.26 -4.59 118.16 114.90 2ysq n LYS 43 Ca -0.03 0.06 0.05 0.00 -1.05 0.00 0.00 58.31 57.34 2ysq n LYS 43 Cb 0.61 -1.52 0.07 0.00 -0.65 0.00 0.00 35.03 33.55 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2ysq n ASP 44 N -2.98 1.13 -3.49 -5.58 5.68 -1.26 -4.96 116.55 105.08 2ysq n ASP 44 Ca -0.39 -2.56 -0.20 0.00 -0.50 0.00 0.00 54.79 51.14 2ysq n ASP 44 Cb 1.08 -0.32 -0.13 0.00 -1.14 0.00 0.00 41.12 40.61 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 2ysq s TRP 45 N -1.37 -0.18 0.46 2.11 0.52 -1.26 -3.06 118.94 116.16 2ysq s TRP 45 Ca 0.17 -0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.23 2ysq s TRP 45 Cb 0.16 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.93 2ysq s TRP 45 CO -0.00 -0.71 0.01 -1.58 0.02 0.00 0.00 176.95 174.69 2ysq s TRP 46 N 2.28 2.13 -0.47 -1.98 0.51 -1.25 -3.67 118.94 116.48 2ysq s TRP 46 Ca 0.07 -0.86 -0.03 0.00 -2.12 0.00 0.00 56.10 53.17 2ysq s TRP 46 Cb -0.15 -1.65 0.13 0.00 -0.81 0.00 0.00 33.47 30.99 2ysq s TRP 46 CO -0.21 0.29 0.27 -0.46 -0.51 0.00 0.00 176.95 176.33 2ysq s TRP 47 N -2.84 3.53 0.68 -1.98 -0.11 -0.58 -4.04 118.94 113.60 2ysq s TRP 47 Ca 0.19 -2.53 -0.11 0.00 1.22 0.00 0.00 56.10 54.87 2ysq s TRP 47 Cb 0.05 -3.20 -0.00 0.00 -1.50 0.00 0.00 33.47 28.82 2ysq s TRP 47 CO 0.10 -0.93 1.07 0.20 -4.62 0.00 0.00 176.95 172.77 2ysq s GLY 48 N 1.43 1.64 -0.14 5.86 0.00 -1.26 -0.64 107.32 114.22 2ysq s GLY 48 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 2ysq s GLY 48 CO -0.04 0.13 -0.04 1.62 0.00 0.00 0.00 173.10 174.77 2ysq s GLN 49 N -5.25 1.22 0.17 2.90 0.74 0.52 -4.51 119.66 115.46 2ysq s GLN 49 Ca 0.57 -0.33 0.06 0.00 0.05 0.00 0.00 55.36 55.71 2ysq s GLN 49 Cb -0.12 -1.73 -0.04 0.00 1.10 0.00 0.00 33.01 32.23 2ysq s GLN 49 CO 0.53 -0.39 0.08 0.42 -0.55 0.00 0.00 175.29 175.38 2ysq s ILE 50 N 1.74 4.17 0.06 -2.34 1.01 -0.18 -2.32 121.20 123.34 2ysq s ILE 50 Ca 0.02 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.32 2ysq s ILE 50 Cb -0.14 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2ysq s ILE 50 CO -0.07 -0.12 0.75 -0.67 0.00 0.00 0.00 174.94 174.82 2ysq n ASP 51 N -0.28 -0.39 -0.72 3.58 2.03 -1.26 -2.42 116.55 117.08 2ysq n ASP 51 Ca -0.09 0.83 0.04 0.00 0.52 0.00 0.00 54.79 56.10 2ysq n ASP 51 Cb 0.55 -0.18 0.08 0.00 -0.72 0.00 0.00 41.12 40.85 2ysq n ASP 51 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ysq n ASP 52 N -3.97 1.12 -4.19 1.67 8.00 -1.26 -5.06 116.55 112.87 2ysq n ASP 52 Ca 0.01 -2.61 -0.21 0.00 0.71 0.00 0.00 54.79 52.69 2ysq n ASP 52 Cb 0.09 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.25 1.00 0.34 -1.24 2.02 -1.02 -5.15 118.70 113.41 2ysq s GLU 53 Ca 0.24 -0.89 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 2ysq s GLU 53 Cb 0.25 -1.06 0.02 0.00 0.10 0.00 0.00 34.13 33.43 2ysq s GLU 53 CO -0.06 0.26 0.57 -1.21 0.02 0.00 0.00 175.26 174.84 2ysq s GLU 54 N -1.39 1.95 0.00 1.61 2.02 -1.26 -1.01 118.70 120.61 2ysq s GLU 54 Ca 0.02 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2ysq s GLU 54 Cb -0.09 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.64 2ysq s GLU 54 CO 0.02 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.87 2ysq n GLY 55 N -0.53 0.80 3.54 -1.39 0.00 -1.26 -3.23 105.19 103.12 2ysq n GLY 55 Ca -0.02 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.06 3.00 0.00 1.61 0.52 -1.24 -4.32 118.94 116.45 2ysq s TRP 56 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 55.95 2ysq s TRP 56 Cb 0.00 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 2ysq s TRP 56 CO 0.00 0.13 0.01 -0.59 0.02 0.00 0.00 176.95 176.52 2ysq s PHE 57 N -0.15 0.07 0.47 -1.98 -0.71 -1.26 -3.66 117.98 110.76 2ysq s PHE 57 Ca 0.03 -0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.55 2ysq s PHE 57 Cb -0.13 -0.06 -0.07 0.00 -1.21 0.00 0.00 43.02 41.55 2ysq s PHE 57 CO 0.03 -0.09 1.16 -1.25 -1.34 0.00 0.00 175.22 173.73 2ysq s PRO 58 N -0.56 3.72 0.29 1.99 0.04 -1.26 -3.94 135.00 135.28 2ysq s PRO 58 Ca -0.06 1.76 0.23 0.00 0.04 0.00 0.00 61.00 62.97 2ysq s PRO 58 Cb -0.04 -2.36 0.31 0.00 0.04 0.00 0.00 34.50 32.44 2ysq s PRO 58 CO -0.00 -0.58 1.42 0.00 0.04 0.00 0.00 177.00 177.88 2ysq h ALA 59 N 1.96 0.79 -0.09 8.56 0.00 -1.90 -3.24 119.26 125.35 2ysq h ALA 59 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ysq h ALA 59 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2ysq h ALA 59 CO 0.60 0.00 0.00 0.45 0.00 0.00 0.00 179.25 180.30 2ysq n SER 60 N -2.71 0.47 -0.09 0.00 2.88 -1.26 -2.94 113.62 109.96 2ysq n SER 60 Ca 0.03 -1.99 0.02 0.00 -1.33 0.00 0.00 58.87 55.60 2ysq n SER 60 Cb 0.51 -0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2ysq n SER 60 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2ysq n PHE 61 N -0.25 0.00 -4.08 0.66 3.01 -1.22 -5.02 117.46 110.55 2ysq n PHE 61 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.36 2ysq n PHE 61 Cb 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.43 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 -0.81 0.61 -0.09 -4.37 -7.23 -1.15 -2.68 120.40 104.68 2ysq s VAL 62 Ca 0.03 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 2ysq s VAL 62 Cb 0.03 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 2ysq s VAL 62 CO 0.10 -0.39 -0.04 0.00 -0.31 0.00 0.00 175.10 174.46 2ysq s ARG 63 N -1.72 2.99 0.49 4.82 1.70 -0.78 -4.90 118.95 121.54 2ysq s ARG 63 Ca -0.08 -0.49 -0.17 0.00 -0.47 0.00 0.00 55.73 54.53 2ysq s ARG 63 Cb -0.09 -2.72 -0.08 0.00 -0.57 0.00 0.00 34.95 31.49 2ysq s ARG 63 CO 0.00 0.61 0.95 -0.51 -1.08 0.00 0.00 175.30 175.28 2ysq s LEU 64 N -0.64 3.69 -1.04 -1.89 1.02 -1.26 -0.02 118.68 118.55 2ysq s LEU 64 Ca 0.10 1.54 -0.23 0.00 0.02 0.00 0.00 54.13 55.56 2ysq s LEU 64 Cb -0.12 -4.46 0.01 0.00 0.02 0.00 0.00 46.19 41.65 2ysq s LEU 64 CO 0.02 -0.53 1.68 0.26 0.02 0.00 0.00 176.35 177.79 2ysq s TRP 65 N -2.53 2.30 -0.27 0.29 0.51 -1.18 -4.88 118.94 113.18 2ysq s TRP 65 Ca 0.58 -0.40 -0.24 0.00 -2.12 0.00 0.00 56.10 53.93 2ysq s TRP 65 Cb -0.10 -4.46 0.08 0.00 -0.81 0.00 0.00 33.47 28.19 2ysq s TRP 65 CO 0.29 -1.80 0.77 0.54 -0.51 0.00 0.00 176.95 176.23 2ysq s VAL 66 N 6.90 0.00 -0.04 4.03 0.11 -1.26 -5.03 120.40 125.10 2ysq s VAL 66 Ca 0.56 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.31 2ysq s VAL 66 Cb -0.02 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.77 2ysq s VAL 66 CO -0.03 0.00 1.72 0.21 -3.33 0.00 0.00 175.10 173.67 2ysq s ASN 67 N 0.52 6.63 -1.01 3.54 2.47 -1.26 -4.88 114.94 120.94 2ysq s ASN 67 Ca -0.01 2.32 -0.24 0.00 0.42 0.00 0.00 52.86 55.35 2ysq s ASN 67 Cb -0.05 -2.53 -0.07 0.00 -1.45 0.00 0.00 41.25 37.14 2ysq s ASN 67 CO -0.03 -0.95 1.97 -1.58 -3.72 0.00 0.00 177.10 172.79 2ysq s GLN 68 N 4.11 2.44 -0.39 0.43 -0.44 -1.26 -4.89 119.66 119.66 2ysq s GLN 68 Ca 0.76 -0.59 -0.32 0.00 -2.50 0.00 0.00 55.36 52.71 2ysq s GLN 68 Cb -0.35 -5.12 -0.10 0.00 -1.64 0.00 0.00 33.01 25.80 2ysq s GLN 68 CO 0.32 -3.73 2.27 -1.91 0.50 0.00 0.00 175.29 172.73 2ysq n GLU 69 N 8.61 1.15 -1.73 1.67 4.07 -1.26 -4.93 120.64 128.22 2ysq n GLU 69 Ca 0.42 0.27 -0.29 0.00 -0.06 0.00 0.00 57.16 57.50 2ysq n GLU 69 Cb 0.47 -2.66 0.13 0.00 -0.06 0.00 0.00 31.44 29.31 2ysq n GLU 69 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2ysq s ASP 70 N 8.31 3.78 0.01 4.31 1.47 -1.26 -4.99 116.67 128.30 2ysq s ASP 70 Ca 1.08 0.77 -0.30 0.00 1.18 0.00 0.00 52.55 55.28 2ysq s ASP 70 Cb -0.70 -1.22 -0.06 0.00 -0.34 0.00 0.00 42.92 40.61 2ysq s ASP 70 CO 0.43 -2.36 1.37 -1.61 0.68 0.00 0.00 175.17 173.68 2ysq s GLU 71 N -5.50 4.30 -0.85 2.11 0.41 -1.26 -4.92 118.70 112.98 2ysq s GLU 71 Ca 0.65 1.94 -0.05 0.00 -0.41 0.00 0.00 54.97 57.10 2ysq s GLU 71 Cb -0.11 -3.53 0.04 0.00 -1.78 0.00 0.00 34.13 28.75 2ysq s GLU 71 CO 0.51 -0.53 2.71 1.33 -0.49 0.00 0.00 175.26 178.79 2ysq n VAL 72 N 4.54 4.16 -3.64 2.63 0.24 -1.26 -4.82 118.33 120.19 2ysq n VAL 72 Ca 0.13 -3.37 -0.16 0.00 -2.04 0.00 0.00 64.34 58.89 2ysq n VAL 72 Cb 0.44 -1.90 -0.14 0.00 -1.47 0.00 0.00 33.84 30.76 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 -0.95 0.10 0.15 7.34 -6.30 -1.26 -5.15 118.70 112.62 2ysq s GLU 73 Ca 0.59 0.57 0.02 0.00 -2.50 0.00 0.00 54.97 53.64 2ysq s GLU 73 Cb 0.28 -0.35 -0.04 0.00 0.00 0.00 0.00 34.13 34.02 2ysq s GLU 73 CO -0.14 -0.36 -0.01 -1.83 0.02 0.00 0.00 175.26 172.94 2ysq s GLU 74 N 2.34 1.04 0.00 4.30 4.04 -1.26 -5.08 118.70 124.08 2ysq s GLU 74 Ca 0.03 -1.48 0.00 0.00 0.04 0.00 0.00 54.97 53.56 2ysq s GLU 74 Cb -0.13 -0.23 0.00 0.00 0.02 0.00 0.00 34.13 33.80 2ysq s GLU 74 CO -0.08 -0.11 0.00 0.41 -1.84 0.00 0.00 175.26 173.64 2ysq n GLY 75 N -0.19 -1.75 3.91 -3.83 0.00 -1.26 -5.15 105.19 96.93 2ysq n GLY 75 Ca -0.08 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 1.18 6.33 0.03 1.61 0.15 -1.26 -5.09 113.70 116.63 2ysq s SER 76 Ca 0.00 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2ysq s SER 76 Cb 0.00 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2ysq s SER 76 CO 0.00 -0.42 0.12 -0.83 1.20 0.00 0.00 173.24 173.31 2ysq s GLY 77 N -3.85 2.07 1.21 9.45 0.00 -1.26 -5.11 107.32 109.84 2ysq s GLY 77 Ca 0.45 -0.88 -0.20 0.00 0.00 0.00 0.00 44.72 44.09 2ysq s GLY 77 CO 0.39 -0.80 1.11 2.56 0.00 0.00 0.00 173.10 176.35 2ysq s PRO 78 N -2.06 -1.32 -0.83 2.90 0.04 -1.26 -4.85 135.00 127.62 2ysq s PRO 78 Ca 0.27 -0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.96 2ysq s PRO 78 Cb -0.12 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.75 2ysq s PRO 78 CO 0.19 -3.77 2.12 -1.54 0.04 0.00 0.00 177.00 174.05 2ysq s SER 79 N -3.93 4.67 0.73 6.66 1.04 -1.26 -4.94 113.70 116.68 2ysq s SER 79 Ca 0.71 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.72 2ysq s SER 79 Cb -0.09 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.50 2ysq s SER 79 CO 0.56 -3.14 1.09 -0.94 0.98 0.00 0.00 173.24 171.79 2ysq s SER 80 N 9.19 5.19 0.00 7.02 1.04 -1.26 -5.38 113.70 129.50 2ysq s SER 80 Ca 0.79 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2ysq s SER 80 Cb -0.10 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2ysq s SER 80 CO 0.04 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.36