#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1w s ASN 2 N 0.00 -0.47 -0.44 7.83 4.22 -1.26 -5.09 114.94 119.72 2k1w s ASN 2 Ca 0.00 0.07 0.07 0.00 -2.14 0.00 0.00 52.86 50.86 2k1w s ASN 2 Cb 0.00 1.30 0.23 0.00 1.28 0.00 0.00 41.25 44.06 2k1w s ASN 2 CO 0.00 -0.09 0.65 0.00 -2.04 0.00 0.00 177.10 175.62 2k1w n ALA 3 N 5.15 0.66 -3.13 3.54 0.00 -1.26 -3.44 120.51 122.04 2k1w n ALA 3 Ca 0.08 -2.40 -0.02 0.00 0.00 0.00 0.00 53.44 51.10 2k1w n ALA 3 Cb 0.57 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w n ALA 4 N 1.85 -0.01 -3.78 0.00 0.00 -1.26 -4.98 120.51 112.33 2k1w n ALA 4 Ca 0.18 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2k1w n ALA 4 Cb 0.56 0.16 -0.12 0.00 0.00 0.00 0.00 19.45 20.05 2k1w n ALA 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k1w s GLU 5 N -2.11 2.00 -0.36 0.00 2.02 -1.26 -4.32 118.70 114.67 2k1w s GLU 5 Ca 0.04 -1.80 0.03 0.00 0.02 0.00 0.00 54.97 53.26 2k1w s GLU 5 Cb -0.00 -3.56 0.10 0.00 0.10 0.00 0.00 34.13 30.78 2k1w s GLU 5 CO 0.03 -1.05 0.08 0.08 0.02 0.00 0.00 175.26 174.42 2k1w s VAL 6 N 1.14 2.43 -0.48 2.63 1.01 -1.20 -4.62 120.40 121.30 2k1w s VAL 6 Ca 0.08 -2.37 -0.11 0.00 0.00 0.00 0.00 61.98 59.58 2k1w s VAL 6 Cb -0.23 -2.77 0.12 0.00 0.00 0.00 0.00 36.38 33.50 2k1w s VAL 6 CO -0.04 -0.62 0.38 -0.51 0.00 0.00 0.00 175.10 174.30 2k1w s ILE 7 N 0.86 4.44 0.27 2.22 2.07 -1.25 -0.08 121.20 129.73 2k1w s ILE 7 Ca 0.11 -1.70 0.10 0.00 -1.41 0.00 0.00 60.65 57.75 2k1w s ILE 7 Cb -0.20 -3.89 -0.04 0.00 0.13 0.00 0.00 42.46 38.45 2k1w s ILE 7 CO -0.07 -0.78 -0.04 0.68 -1.91 0.00 0.00 174.94 172.82 2k1w s VAL 8 N 1.42 3.26 -0.06 4.00 -7.23 -0.59 -3.43 120.40 117.78 2k1w s VAL 8 Ca 0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2k1w s VAL 8 Cb -0.27 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2k1w s VAL 8 CO 0.00 -0.37 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.95 2k1w s TYR 9 N -2.36 1.70 -0.36 2.82 1.51 0.42 -0.38 117.35 120.71 2k1w s TYR 9 Ca 0.31 -0.57 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 2k1w s TYR 9 Cb -0.06 -1.18 0.51 0.00 -0.11 0.00 0.00 41.96 41.12 2k1w s TYR 9 CO 0.19 -0.24 1.60 0.39 -1.11 0.00 0.00 175.55 176.38 2k1w n GLU 10 N 3.44 2.38 -3.64 -0.62 -0.58 -1.25 -3.24 120.64 117.13 2k1w n GLU 10 Ca -0.20 -2.19 0.02 0.00 -0.42 0.00 0.00 57.16 54.37 2k1w n GLU 10 Cb 0.53 -1.90 0.01 0.00 -0.57 0.00 0.00 31.44 29.51 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k1w n HIS 11 N -0.40 -0.32 -1.08 -0.32 -0.00 -1.24 -4.91 115.22 106.95 2k1w n HIS 11 Ca 0.37 -0.59 -0.32 0.00 0.46 0.00 0.00 57.72 57.64 2k1w n HIS 11 Cb 1.24 0.26 0.13 0.00 -0.12 0.00 0.00 29.99 31.51 2k1w n HIS 11 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k1w s VAL 12 N -2.04 2.29 0.11 3.57 0.11 -0.09 -3.12 120.40 121.22 2k1w s VAL 12 Ca 0.25 0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 59.10 2k1w s VAL 12 Cb -0.01 -2.43 -0.11 0.00 -1.53 0.00 0.00 36.38 32.30 2k1w s VAL 12 CO -0.01 -0.10 1.59 -1.13 -3.33 0.00 0.00 175.10 172.12 2k1w h ASN 13 N -1.10 -1.23 -0.50 3.54 -1.24 -1.91 0.86 115.58 113.99 2k1w h ASN 13 Ca -0.45 0.13 -0.32 0.00 0.71 0.00 0.00 56.30 56.37 2k1w h ASN 13 Cb 1.28 0.45 -0.13 0.00 0.73 0.00 0.00 38.32 40.65 2k1w h ASN 13 CO 0.46 -0.50 0.37 2.22 -1.29 0.00 0.00 177.43 178.69 2k1w n PHE 14 N -5.47 1.43 -1.67 0.67 1.16 -1.26 -3.81 117.46 108.51 2k1w n PHE 14 Ca -0.08 -1.90 -0.01 0.00 -1.87 0.00 0.00 57.45 53.59 2k1w n PHE 14 Cb 0.38 -0.99 -0.01 0.00 -1.61 0.00 0.00 39.48 37.25 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k1w n GLY 15 N 0.52 -0.36 3.54 4.97 0.00 -0.69 -5.16 105.19 108.00 2k1w n GLY 15 Ca 0.31 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2k1w n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1w s GLY 16 N -0.16 0.08 0.12 -0.02 0.00 0.21 -3.99 107.32 103.56 2k1w s GLY 16 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.34 2k1w s GLY 16 CO -0.00 -0.37 0.18 -1.59 0.00 0.00 0.00 173.10 171.32 2k1w s LYS 17 N -3.91 3.16 0.19 2.90 0.00 -1.26 -4.93 119.74 115.89 2k1w s LYS 17 Ca 0.12 -0.66 -0.13 0.00 0.00 0.00 0.00 55.97 55.30 2k1w s LYS 17 Cb -0.01 -2.84 -0.07 0.00 0.00 0.00 0.00 37.83 34.91 2k1w s LYS 17 CO 0.00 0.54 0.57 -1.54 0.00 0.00 0.00 175.35 174.93 2k1w s SER 18 N -2.85 6.78 -0.33 0.03 1.04 -1.26 -3.75 113.70 113.36 2k1w s SER 18 Ca 0.32 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.83 2k1w s SER 18 Cb -0.11 -2.28 0.10 0.00 0.10 0.00 0.00 66.02 63.82 2k1w s SER 18 CO 0.25 0.03 0.10 0.12 0.98 0.00 0.00 173.24 174.72 2k1w s PHE 19 N -1.60 2.26 -0.53 5.02 2.19 0.49 -4.97 117.98 120.84 2k1w s PHE 19 Ca 0.42 -2.12 -0.19 0.00 0.33 0.00 0.00 56.93 55.37 2k1w s PHE 19 Cb -0.14 -2.05 0.07 0.00 -1.31 0.00 0.00 43.02 39.60 2k1w s PHE 19 CO 0.20 -0.89 0.65 -0.51 1.83 0.00 0.00 175.22 176.49 2k1w s ASP 20 N 1.33 6.21 -0.33 6.13 1.11 -1.24 -1.53 116.67 128.34 2k1w s ASP 20 Ca 0.11 -1.06 -0.29 0.00 0.18 0.00 0.00 52.55 51.49 2k1w s ASP 20 Cb -0.18 -2.29 0.02 0.00 1.07 0.00 0.00 42.92 41.53 2k1w s ASP 20 CO -0.19 -0.95 1.10 0.00 1.18 0.00 0.00 175.17 176.30 2k1w s ALA 21 N 2.64 3.46 0.00 5.23 0.00 0.88 -4.90 121.76 129.07 2k1w s ALA 21 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2k1w s ALA 21 Cb -0.21 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2k1w s ALA 21 CO 0.10 -1.57 0.00 0.25 0.00 0.00 0.00 175.76 174.54 2k1w n THR 22 N 5.97 0.00 -1.11 0.00 -2.24 -1.26 -3.22 114.28 112.43 2k1w n THR 22 Ca 0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 2k1w n THR 22 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2k1w n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k1w n SER 23 N -1.71 6.97 0.00 3.42 7.64 -1.22 -3.25 113.62 125.48 2k1w n SER 23 Ca 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.39 2k1w n SER 23 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 2k1w n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k1w n ASP 24 N 4.02 0.00 -4.96 6.43 -0.08 -1.26 -5.07 116.55 115.63 2k1w n ASP 24 Ca 0.64 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.70 2k1w n ASP 24 Cb 0.20 0.32 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k1w s GLN 25 N -1.67 3.30 -0.14 -0.67 1.11 -1.20 -5.05 119.66 115.33 2k1w s GLN 25 Ca 0.00 -0.60 -0.24 0.00 0.01 0.00 0.00 55.36 54.53 2k1w s GLN 25 Cb 0.00 -2.72 -0.22 0.00 -1.01 0.00 0.00 33.01 29.06 2k1w s GLN 25 CO 0.00 0.09 0.62 -1.00 0.01 0.00 0.00 175.29 175.01 2k1w h PRO 26 N 0.78 0.00 0.00 2.91 0.13 -2.00 -3.42 132.00 130.40 2k1w h PRO 26 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k1w h PRO 26 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k1w h PRO 26 CO 0.59 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.62 2k1w n GLY 27 N 1.62 -0.58 3.14 1.56 0.00 -1.26 -5.03 105.19 104.65 2k1w n GLY 27 Ca -0.10 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 2k1w n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1w s ALA 28 N -1.00 -0.49 -0.25 4.61 0.00 -1.26 -4.82 121.76 118.55 2k1w s ALA 28 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 2k1w s ALA 28 Cb 0.00 0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.25 2k1w s ALA 28 CO 0.00 -0.21 0.19 0.20 0.00 0.00 0.00 175.76 175.94 2k1w s GLY 29 N -1.14 0.17 -0.19 0.00 0.00 -1.26 -4.90 107.32 100.00 2k1w s GLY 29 Ca -0.12 -0.40 -0.28 0.00 0.00 0.00 0.00 44.72 43.92 2k1w s GLY 29 CO 0.02 2.19 0.81 0.99 0.00 0.00 0.00 173.10 177.11 2k1w s ASP 30 N 2.24 -0.61 -0.30 1.64 1.01 -1.26 -5.14 116.67 114.25 2k1w s ASP 30 Ca 0.07 0.96 0.01 0.00 0.71 0.00 0.00 52.55 54.30 2k1w s ASP 30 Cb -0.15 0.89 0.15 0.00 1.01 0.00 0.00 42.92 44.82 2k1w s ASP 30 CO -0.25 -0.36 0.37 0.54 0.21 0.00 0.00 175.17 175.68 2k1w s ASN 31 N -0.36 0.87 -0.42 0.27 4.22 -1.26 -4.70 114.94 113.56 2k1w s ASN 31 Ca -0.03 -0.59 0.08 0.00 -2.14 0.00 0.00 52.86 50.18 2k1w s ASN 31 Cb -0.03 0.87 0.28 0.00 1.28 0.00 0.00 41.25 43.66 2k1w s ASN 31 CO 0.03 -0.36 0.75 0.18 -2.04 0.00 0.00 177.10 175.65 2k1w n LEU 32 N 5.27 -0.73 -1.24 3.54 4.77 -1.25 -4.86 117.00 122.50 2k1w n LEU 32 Ca 0.00 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 2k1w n LEU 32 Cb 0.48 0.75 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 2k1w n LEU 32 CO -0.01 2.11 -0.33 -3.20 -1.33 0.00 0.00 177.39 174.64 2k1w n ASN 33 N 1.02 -6.92 -4.58 -1.43 5.15 -1.26 -4.59 115.26 102.66 2k1w n ASN 33 Ca 0.17 0.92 -0.28 0.00 -0.60 0.00 0.00 54.58 54.79 2k1w n ASN 33 Cb 0.61 -3.18 -0.06 0.00 -0.53 0.00 0.00 39.78 36.62 2k1w n ASN 33 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2k1w s ASP 34 N -2.16 4.97 0.47 1.20 1.01 -1.26 -4.13 116.67 116.76 2k1w s ASP 34 Ca 0.00 -1.57 0.08 0.00 0.71 0.00 0.00 52.55 51.77 2k1w s ASP 34 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.37 2k1w s ASP 34 CO 0.00 -3.13 0.58 -0.54 0.21 0.00 0.00 175.17 172.29 2k1w s LYS 35 N 6.58 2.60 0.19 8.23 -0.14 -1.26 -4.45 119.74 131.49 2k1w s LYS 35 Ca 0.69 -1.45 -0.32 0.00 -1.36 0.00 0.00 55.97 53.53 2k1w s LYS 35 Cb -0.01 -2.61 -0.15 0.00 -1.68 0.00 0.00 37.83 33.37 2k1w s LYS 35 CO 0.13 -0.42 1.21 1.51 -0.76 0.00 0.00 175.35 177.01 2k1w n ILE 36 N -1.88 0.95 -4.10 2.17 3.06 -1.26 -4.79 119.36 113.50 2k1w n ILE 36 Ca 0.08 -0.24 -0.11 0.00 -2.50 0.00 0.00 62.75 59.99 2k1w n ILE 36 Cb 0.61 -0.98 -0.11 0.00 0.54 0.00 0.00 39.64 39.70 2k1w n ILE 36 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2k1w s SER 37 N 0.04 0.83 -0.40 9.51 0.01 -1.26 -0.92 113.70 121.51 2k1w s SER 37 Ca 0.72 -0.79 -0.07 0.00 1.31 0.00 0.00 55.95 57.12 2k1w s SER 37 Cb -0.80 0.09 0.09 0.00 0.21 0.00 0.00 66.02 65.61 2k1w s SER 37 CO 0.52 -0.38 0.22 -0.55 0.41 0.00 0.00 173.24 173.45 2k1w s SER 38 N -2.35 5.45 -0.37 2.44 0.15 -1.18 -4.28 113.70 113.55 2k1w s SER 38 Ca 0.01 -1.63 -0.06 0.00 0.70 0.00 0.00 55.95 54.96 2k1w s SER 38 Cb -0.01 -1.91 0.07 0.00 -1.71 0.00 0.00 66.02 62.45 2k1w s SER 38 CO -0.03 -0.51 0.16 -0.63 1.20 0.00 0.00 173.24 173.43 2k1w s ILE 39 N 1.33 3.75 -0.29 6.45 1.09 -0.94 -0.44 121.20 132.15 2k1w s ILE 39 Ca 0.03 -1.41 -0.00 0.00 -1.10 0.00 0.00 60.65 58.17 2k1w s ILE 39 Cb -0.23 -3.27 0.09 0.00 -1.06 0.00 0.00 42.46 38.00 2k1w s ILE 39 CO -0.00 -0.37 0.07 -0.75 -0.10 0.00 0.00 174.94 173.78 2k1w s LYS 40 N 1.35 0.89 -0.07 2.79 2.20 -1.22 -1.76 119.74 123.91 2k1w s LYS 40 Ca 0.01 -1.05 -0.15 0.00 -0.36 0.00 0.00 55.97 54.42 2k1w s LYS 40 Cb -0.21 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.94 2k1w s LYS 40 CO 0.01 -0.89 0.36 0.08 -0.36 0.00 0.00 175.35 174.55 2k1w s VAL 41 N 1.55 0.03 -0.49 4.02 1.01 -1.25 -4.06 120.40 121.22 2k1w s VAL 41 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2k1w s VAL 41 Cb -0.18 -0.59 0.14 0.00 0.00 0.00 0.00 36.38 35.75 2k1w s VAL 41 CO -0.19 -0.13 0.29 -0.54 0.00 0.00 0.00 175.10 174.53 2k1w s LYS 42 N -0.64 1.52 -0.30 2.72 3.01 -1.26 -2.27 119.74 122.51 2k1w s LYS 42 Ca -0.07 -2.30 -0.02 0.00 -1.01 0.00 0.00 55.97 52.57 2k1w s LYS 42 Cb -0.04 -2.55 0.19 0.00 -1.01 0.00 0.00 37.83 34.42 2k1w s LYS 42 CO 0.03 -1.19 0.81 -1.54 0.51 0.00 0.00 175.35 173.97 2k1w s SER 43 N -0.02 -1.04 0.73 2.83 1.04 -1.26 -5.01 113.70 110.97 2k1w s SER 43 Ca 0.20 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2k1w s SER 43 Cb -0.19 1.62 0.00 0.00 0.10 0.00 0.00 66.02 67.55 2k1w s SER 43 CO -0.04 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2k1w n GLY 44 N 5.15 0.97 3.52 7.32 0.00 -1.26 -4.54 105.19 116.35 2k1w n GLY 44 Ca 0.07 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2k1w n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1w s THR 45 N 0.00 2.97 0.13 2.61 -4.23 -1.10 -2.90 115.64 113.11 2k1w s THR 45 Ca 0.00 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2k1w s THR 45 Cb 0.00 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2k1w s THR 45 CO 0.00 -0.05 -0.08 0.26 -0.54 0.00 0.00 174.62 174.21 2k1w s TRP 46 N -1.53 1.10 -0.11 3.99 0.51 -0.75 -0.09 118.94 122.07 2k1w s TRP 46 Ca 0.22 -0.84 0.01 0.00 -2.12 0.00 0.00 56.10 53.37 2k1w s TRP 46 Cb -0.09 -0.59 -0.02 0.00 -0.81 0.00 0.00 33.47 31.96 2k1w s TRP 46 CO 0.13 -0.03 -0.12 1.03 -0.51 0.00 0.00 176.95 177.44 2k1w s ARG 47 N -3.79 3.17 -0.06 4.98 3.00 -0.47 -1.70 118.95 124.07 2k1w s ARG 47 Ca 0.15 -0.67 0.05 0.00 0.00 0.00 0.00 55.73 55.26 2k1w s ARG 47 Cb 0.04 -2.59 -0.01 0.00 0.00 0.00 0.00 34.95 32.39 2k1w s ARG 47 CO -0.02 0.34 -0.21 -0.06 0.00 0.00 0.00 175.30 175.35 2k1w s PHE 48 N 0.04 2.14 -0.27 -0.53 0.08 0.98 -2.48 117.98 117.92 2k1w s PHE 48 Ca -0.04 -0.67 -0.22 0.00 0.12 0.00 0.00 56.93 56.12 2k1w s PHE 48 Cb -0.14 -1.42 0.07 0.00 -0.57 0.00 0.00 43.02 40.96 2k1w s PHE 48 CO 0.04 -0.23 0.71 1.52 -0.10 0.00 0.00 175.22 177.17 2k1w s TYR 49 N 0.01 -0.88 -1.19 0.36 -0.85 -1.05 -0.32 117.35 113.43 2k1w s TYR 49 Ca -0.06 1.99 -0.05 0.00 -0.52 0.00 0.00 57.07 58.43 2k1w s TYR 49 Cb -0.14 0.40 0.22 0.00 0.38 0.00 0.00 41.96 42.83 2k1w s TYR 49 CO 0.04 -0.43 1.91 -0.85 -1.52 0.00 0.00 175.55 174.70 2k1w n GLU 50 N 3.26 4.49 -3.15 -3.49 0.28 -1.26 -0.97 120.64 119.79 2k1w n GLU 50 Ca -0.16 -4.00 0.00 0.00 -0.16 0.00 0.00 57.16 52.84 2k1w n GLU 50 Cb 0.56 -2.65 0.00 0.00 1.43 0.00 0.00 31.44 30.79 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k1w n TYR 51 N 1.82 0.00 -0.19 -1.84 4.01 -0.51 -4.61 117.16 115.83 2k1w n TYR 51 Ca 0.44 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.96 2k1w n TYR 51 Cb 0.30 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.54 2k1w n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1w n ILE 52 N 1.38 0.00 -0.47 -0.72 -5.35 -1.23 -4.09 119.36 108.88 2k1w n ILE 52 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 2k1w n ILE 52 Cb 0.00 -0.71 0.15 0.00 -1.74 0.00 0.00 39.64 37.34 2k1w n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2k1w n ASN 53 N -4.71 3.66 -1.85 7.28 5.15 -1.26 -4.10 115.26 119.43 2k1w n ASN 53 Ca 0.10 -3.00 -0.01 0.00 -0.60 0.00 0.00 54.58 51.07 2k1w n ASN 53 Cb 0.43 -0.71 0.03 0.00 -0.53 0.00 0.00 39.78 39.01 2k1w n ASN 53 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1w n TYR 54 N -0.41 -0.55 0.00 1.20 4.11 -1.26 -5.04 117.16 115.21 2k1w n TYR 54 Ca 0.36 -0.47 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 2k1w n TYR 54 Cb 1.22 0.84 0.00 0.00 -0.00 0.00 0.00 39.34 41.40 2k1w n TYR 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k1w n GLY 55 N -0.42 -1.79 1.33 -7.48 0.00 -1.26 -5.18 105.19 90.40 2k1w n GLY 55 Ca -0.06 0.79 -0.03 0.00 0.00 0.00 0.00 46.02 46.72 2k1w n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1w n GLY 56 N 0.00 1.62 3.57 -0.02 0.00 -1.26 -4.22 105.19 104.88 2k1w n GLY 56 Ca 0.00 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2k1w n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1w s ARG 57 N -2.03 3.40 -0.03 1.61 3.00 -1.26 -4.97 118.95 118.67 2k1w s ARG 57 Ca 0.06 0.07 -0.30 0.00 -1.00 0.00 0.00 55.73 54.56 2k1w s ARG 57 Cb -0.02 -4.07 -0.03 0.00 0.00 0.00 0.00 34.95 30.83 2k1w s ARG 57 CO 0.04 -1.85 1.01 -0.47 0.00 0.00 0.00 175.30 174.04 2k1w s TYR 58 N 5.23 3.58 -0.28 5.12 5.04 -1.26 -3.88 117.35 130.89 2k1w s TYR 58 Ca 0.40 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.66 2k1w s TYR 58 Cb -0.08 -3.18 0.17 0.00 0.35 0.00 0.00 41.96 39.22 2k1w s TYR 58 CO 0.22 -0.22 0.47 -0.46 -1.34 0.00 0.00 175.55 174.21 2k1w s TRP 59 N 1.39 -1.21 0.18 4.97 -0.00 0.56 -5.00 118.94 119.83 2k1w s TRP 59 Ca 0.51 0.84 0.05 0.00 -0.00 0.00 0.00 56.10 57.50 2k1w s TRP 59 Cb -0.21 0.10 -0.04 0.00 -0.00 0.00 0.00 33.47 33.33 2k1w s TRP 59 CO 0.25 -0.91 0.18 0.16 -0.00 0.00 0.00 176.95 176.62 2k1w s ASP 60 N 2.65 5.66 0.11 5.86 -4.77 -1.26 -0.02 116.67 124.90 2k1w s ASP 60 Ca 0.13 -0.10 -0.12 0.00 -3.30 0.00 0.00 52.55 49.15 2k1w s ASP 60 Cb -0.13 -1.52 0.01 0.00 -1.09 0.00 0.00 42.92 40.20 2k1w s ASP 60 CO -0.24 0.04 0.28 -1.48 0.70 0.00 0.00 175.17 174.47 2k1w s LEU 61 N -3.29 0.98 0.00 2.11 2.34 -0.69 -4.96 118.68 115.17 2k1w s LEU 61 Ca 0.32 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 53.99 2k1w s LEU 61 Cb -0.10 1.38 0.01 0.00 -0.56 0.00 0.00 46.19 46.92 2k1w s LEU 61 CO 0.25 -0.79 0.11 0.61 -1.06 0.00 0.00 176.35 175.46 2k1w n GLY 62 N -0.14 1.22 3.55 -3.48 0.00 -1.26 -1.81 105.19 103.27 2k1w n GLY 62 Ca -0.15 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 2k1w n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k1w n PRO 63 N -1.18 0.79 -3.53 1.61 -0.02 -1.14 -4.85 135.00 126.67 2k1w n PRO 63 Ca 0.02 -0.23 -0.08 0.00 -2.02 0.00 0.00 63.50 61.19 2k1w n PRO 63 Cb 0.07 -3.27 -0.02 0.00 -0.02 0.00 0.00 33.50 30.26 2k1w n PRO 63 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k1w s GLY 64 N 11.21 -0.44 0.06 -1.23 0.00 -0.96 -4.91 107.32 111.04 2k1w s GLY 64 Ca 1.01 0.92 0.04 0.00 0.00 0.00 0.00 44.72 46.70 2k1w s GLY 64 CO 0.24 0.30 -0.04 1.85 0.00 0.00 0.00 173.10 175.46 2k1w s GLU 65 N -3.14 2.49 0.17 2.90 -6.30 -1.26 -3.80 118.70 109.77 2k1w s GLU 65 Ca 0.06 -0.81 -0.23 0.00 -2.50 0.00 0.00 54.97 51.49 2k1w s GLU 65 Cb -0.01 -2.50 0.07 0.00 0.00 0.00 0.00 34.13 31.69 2k1w s GLU 65 CO -0.08 0.56 0.61 1.52 0.02 0.00 0.00 175.26 177.89 2k1w s TYR 66 N -1.17 -0.51 -0.50 5.30 1.13 -0.72 -5.00 117.35 115.87 2k1w s TYR 66 Ca 0.22 0.28 0.06 0.00 -1.41 0.00 0.00 57.07 56.22 2k1w s TYR 66 Cb -0.11 0.57 0.22 0.00 -1.10 0.00 0.00 41.96 41.54 2k1w s TYR 66 CO 0.13 -0.88 0.84 -1.13 -2.51 0.00 0.00 175.55 172.01 2k1w n SER 67 N -0.38 -3.08 -4.09 -0.18 3.41 -1.26 -2.22 113.62 105.82 2k1w n SER 67 Ca -0.16 -3.16 -0.30 0.00 -0.26 0.00 0.00 58.87 54.99 2k1w n SER 67 Cb 0.65 1.80 0.19 0.00 -0.26 0.00 0.00 64.21 66.59 2k1w n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1w s SER 68 N -0.83 2.80 0.00 4.04 0.01 -1.26 -4.91 113.70 113.55 2k1w s SER 68 Ca 0.31 0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.90 2k1w s SER 68 Cb 0.15 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2k1w s SER 68 CO -0.18 -2.94 0.69 0.55 0.41 0.00 0.00 173.24 171.77 2k1w n VAL 69 N -3.91 0.00 0.00 3.43 3.14 -1.26 -4.06 118.33 115.66 2k1w n VAL 69 Ca 0.15 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2k1w n VAL 69 Cb 0.59 0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.57 2k1w n VAL 69 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k1w n GLU 70 N 0.02 0.00 -0.47 1.45 0.28 -1.26 -4.88 120.64 115.77 2k1w n GLU 70 Ca -0.06 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.98 2k1w n GLU 70 Cb 0.59 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.67 2k1w n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1w n SER 71 N 0.00 3.50 -0.54 -1.84 2.88 -1.26 -3.67 113.62 112.69 2k1w n SER 71 Ca 0.00 -2.49 0.03 0.00 -1.33 0.00 0.00 58.87 55.08 2k1w n SER 71 Cb 0.00 -0.60 0.04 0.00 -0.75 0.00 0.00 64.21 62.90 2k1w n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1w n ALA 72 N 0.33 2.16 -1.19 -1.46 0.00 -1.26 -5.06 120.51 114.03 2k1w n ALA 72 Ca 0.15 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2k1w n ALA 72 Cb 0.75 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2k1w n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1w n GLY 73 N -0.28 -4.27 2.35 0.00 0.00 -1.24 -4.95 105.19 96.80 2k1w n GLY 73 Ca 0.05 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 2k1w n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1w n ILE 74 N -0.61 0.55 -0.06 -0.61 2.08 -1.26 -4.89 119.36 114.56 2k1w n ILE 74 Ca 0.00 -4.68 -0.03 0.00 0.56 0.00 0.00 62.75 58.59 2k1w n ILE 74 Cb 0.00 -1.12 -0.01 0.00 -0.75 0.00 0.00 39.64 37.76 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2k1w h PRO 75 N 3.39 0.00 -1.03 0.38 0.11 -1.93 -3.45 132.00 129.48 2k1w h PRO 75 Ca 0.11 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.43 2k1w h PRO 75 Cb 0.83 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.60 2k1w h PRO 75 CO 0.58 0.00 0.83 0.34 -0.21 0.00 0.00 178.00 179.54 2k1w s ASP 76 N -5.39 -0.02 -0.37 -2.05 -1.08 -1.26 -4.63 116.67 101.87 2k1w s ASP 76 Ca -0.11 0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 51.95 2k1w s ASP 76 Cb 0.01 0.68 0.26 0.00 -1.46 0.00 0.00 42.92 42.42 2k1w s ASP 76 CO 0.16 -0.01 1.99 -3.20 0.52 0.00 0.00 175.17 174.63 2k1w n ASN 77 N 2.53 6.45 -4.83 -0.34 5.15 -1.26 -4.35 115.26 118.62 2k1w n ASN 77 Ca -0.15 -3.16 -0.37 0.00 -0.60 0.00 0.00 54.58 50.30 2k1w n ASN 77 Cb 0.56 -1.02 -0.06 0.00 -0.53 0.00 0.00 39.78 38.73 2k1w n ASN 77 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2k1w s SER 78 N -0.15 6.94 -1.08 1.20 0.15 -1.26 -3.87 113.70 115.62 2k1w s SER 78 Ca 0.36 1.18 -0.05 0.00 0.70 0.00 0.00 55.95 58.15 2k1w s SER 78 Cb 0.28 -2.33 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 2k1w s SER 78 CO -0.00 0.16 0.25 -0.38 1.20 0.00 0.00 173.24 174.48 2k1w n ILE 79 N 1.15 -0.75 -2.86 6.45 5.41 -1.26 -3.71 119.36 123.78 2k1w n ILE 79 Ca -0.07 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.30 2k1w n ILE 79 Cb 0.51 -1.64 -0.06 0.00 -0.71 0.00 0.00 39.64 37.74 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2k1w s SER 80 N -2.39 7.42 -0.02 4.38 0.01 -1.26 -1.42 113.70 120.42 2k1w s SER 80 Ca 0.21 1.78 -0.14 0.00 1.31 0.00 0.00 55.95 59.10 2k1w s SER 80 Cb -0.11 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.59 2k1w s SER 80 CO 0.26 0.08 0.30 -0.44 0.41 0.00 0.00 173.24 173.85 2k1w s SER 81 N -1.37 -0.19 -0.18 2.44 0.01 -0.15 -4.83 113.70 109.44 2k1w s SER 81 Ca 0.43 0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.65 2k1w s SER 81 Cb -0.22 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.39 2k1w s SER 81 CO 0.27 -0.42 0.46 0.72 0.41 0.00 0.00 173.24 174.67 2k1w s PHE 82 N -1.24 -0.56 0.11 2.43 -0.71 -1.26 -2.51 117.98 114.24 2k1w s PHE 82 Ca -0.13 1.29 0.09 0.00 -1.04 0.00 0.00 56.93 57.15 2k1w s PHE 82 Cb -0.05 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2k1w s PHE 82 CO 0.04 -0.28 -0.23 1.03 -1.34 0.00 0.00 175.22 174.43 2k1w s ARG 83 N 0.64 1.24 0.07 1.99 1.81 -1.04 -4.83 118.95 118.84 2k1w s ARG 83 Ca -0.03 -1.23 0.01 0.00 -1.72 0.00 0.00 55.73 52.76 2k1w s ARG 83 Cb -0.05 -1.60 -0.04 0.00 -0.45 0.00 0.00 34.95 32.82 2k1w s ARG 83 CO -0.04 0.38 0.15 -0.65 -0.68 0.00 0.00 175.30 174.45 2k1w s GLN 84 N -1.94 3.18 0.00 3.54 -0.21 -1.26 -1.37 119.66 121.59 2k1w s GLN 84 Ca 0.09 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.91 2k1w s GLN 84 Cb -0.10 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 31.02 2k1w s GLN 84 CO 0.05 0.59 0.46 -0.89 -2.12 0.00 0.00 175.29 173.38