#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 6.25 -0.61 6.12 -0.87 -1.26 -4.96 114.94 119.61 2k1w s ASN 2 Ca 0.00 -0.59 0.05 0.00 -1.57 0.00 0.00 52.86 50.75 2k1w s ASN 2 Cb 0.00 -2.27 0.34 0.00 -0.02 0.00 0.00 41.25 39.30 2k1w s ASN 2 CO 0.00 -0.71 1.03 0.00 -2.57 0.00 0.00 177.10 174.85 2k1w n ALA 3 N 5.96 4.82 -2.72 0.60 0.00 -1.26 -4.71 120.51 123.19 2k1w n ALA 3 Ca -0.05 -4.68 -0.01 0.00 0.00 0.00 0.00 53.44 48.69 2k1w n ALA 3 Cb 0.47 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.25 2.79 -3.31 0.00 0.00 -1.26 -5.06 120.51 113.42 2k1w n ALA 4 Ca 0.33 -1.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.10 2k1w n ALA 4 Cb 0.39 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.15 0.41 -0.35 0.00 2.02 -1.26 -4.62 118.70 113.75 2k1w s GLU 5 Ca 0.15 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.23 2k1w s GLU 5 Cb 0.41 -0.33 0.09 0.00 0.10 0.00 0.00 34.13 34.39 2k1w s GLU 5 CO -0.10 -1.04 0.09 0.08 0.02 0.00 0.00 175.26 174.31 2k1w s VAL 6 N 2.52 2.95 -0.27 2.63 1.01 -1.16 -4.55 120.40 123.53 2k1w s VAL 6 Ca 0.10 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.16 2k1w s VAL 6 Cb -0.12 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2k1w s VAL 6 CO -0.30 -0.44 0.03 -0.51 0.00 0.00 0.00 175.10 173.87 2k1w s ILE 7 N 1.13 3.66 0.19 2.22 2.07 -1.25 -2.51 121.20 126.72 2k1w s ILE 7 Ca 0.03 -0.70 0.06 0.00 -1.41 0.00 0.00 60.65 58.64 2k1w s ILE 7 Cb -0.21 -2.84 -0.05 0.00 0.13 0.00 0.00 42.46 39.49 2k1w s ILE 7 CO -0.04 0.17 -0.12 0.68 -1.91 0.00 0.00 174.94 173.73 2k1w s VAL 8 N 1.47 1.51 -0.04 4.00 -7.23 -1.00 -3.29 120.40 115.81 2k1w s VAL 8 Ca 0.03 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.08 2k1w s VAL 8 Cb -0.16 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2k1w s VAL 8 CO 0.00 -0.62 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.74 2k1w s TYR 9 N -3.11 1.33 -0.34 2.82 1.51 0.87 -0.15 117.35 120.28 2k1w s TYR 9 Ca 0.21 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2k1w s TYR 9 Cb 0.01 -0.94 0.49 0.00 -0.11 0.00 0.00 41.96 41.41 2k1w s TYR 9 CO 0.05 -0.18 1.63 -1.91 -1.11 0.00 0.00 175.55 174.04 2k1w n GLU 10 N 3.43 2.10 -1.39 -0.62 4.07 -1.09 -3.46 120.64 123.68 2k1w n GLU 10 Ca -0.20 -2.17 0.00 0.00 -0.06 0.00 0.00 57.16 54.74 2k1w n GLU 10 Cb 0.53 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2k1w n HIS 11 N -0.56 -0.21 -0.42 4.31 -0.00 -1.26 -4.83 115.22 112.25 2k1w n HIS 11 Ca 0.40 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.30 2k1w n HIS 11 Cb 1.30 0.00 0.27 0.00 -0.12 0.00 0.00 29.99 31.44 2k1w n HIS 11 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2k1w n VAL 12 N 0.00 0.00 -0.83 3.57 3.14 -0.65 -2.62 118.33 120.94 2k1w n VAL 12 Ca 0.00 -0.38 -0.13 0.00 -2.96 0.00 0.00 64.34 60.88 2k1w n VAL 12 Cb 0.00 -0.96 0.02 0.00 -1.06 0.00 0.00 33.84 31.84 2k1w n VAL 12 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2k1w n ASN 13 N -4.91 6.13 0.00 6.55 5.15 -1.26 -3.69 115.26 123.23 2k1w n ASN 13 Ca 0.04 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 2k1w n ASN 13 Cb 0.56 -1.10 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 2k1w n ASN 13 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2k1w n PHE 14 N 0.76 0.00 0.00 1.20 1.16 -1.26 -5.03 117.46 114.29 2k1w n PHE 14 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.81 2k1w n PHE 14 Cb 0.57 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.44 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 0.00 0.00 3.74 4.97 0.00 -1.24 -5.17 105.19 107.48 2k1w n GLY 15 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.24 -0.02 -0.02 0.00 -1.26 -4.50 107.32 101.29 2k1w s GLY 16 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 44.72 44.47 2k1w s GLY 16 CO 0.00 -0.01 0.60 1.25 0.00 0.00 0.00 173.10 174.94 2k1w s LYS 17 N -3.80 4.33 0.03 2.90 2.20 -1.26 -4.92 119.74 119.21 2k1w s LYS 17 Ca 0.09 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 2k1w s LYS 17 Cb -0.04 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2k1w s LYS 17 CO 0.01 0.33 0.11 -1.54 -0.36 0.00 0.00 175.35 173.91 2k1w s SER 18 N -0.06 5.83 -0.44 1.43 1.04 -1.26 -2.65 113.70 117.58 2k1w s SER 18 Ca 0.31 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 2k1w s SER 18 Cb -0.18 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.37 2k1w s SER 18 CO 0.17 0.23 0.24 -0.36 0.98 0.00 0.00 173.24 174.49 2k1w s PHE 19 N -1.31 3.56 -0.65 5.02 0.40 0.79 -4.94 117.98 120.85 2k1w s PHE 19 Ca 0.27 -2.54 -0.10 0.00 -0.60 0.00 0.00 56.93 53.96 2k1w s PHE 19 Cb -0.12 -3.19 0.17 0.00 0.51 0.00 0.00 43.02 40.39 2k1w s PHE 19 CO 0.19 -0.94 0.54 0.16 0.70 0.00 0.00 175.22 175.86 2k1w s ASP 20 N 1.49 6.00 0.10 1.36 -4.77 -1.26 -2.39 116.67 117.21 2k1w s ASP 20 Ca 0.10 -2.44 -0.26 0.00 -3.30 0.00 0.00 52.55 46.65 2k1w s ASP 20 Cb -0.22 -2.06 0.08 0.00 -1.09 0.00 0.00 42.92 39.63 2k1w s ASP 20 CO -0.04 -0.58 0.87 0.00 0.70 0.00 0.00 175.17 176.12 2k1w s ALA 21 N 0.57 -1.69 -0.14 2.11 0.00 -1.04 -4.96 121.76 116.61 2k1w s ALA 21 Ca 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 2k1w s ALA 21 Cb -0.19 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.57 2k1w s ALA 21 CO -0.04 -0.86 0.06 -0.08 0.00 0.00 0.00 175.76 174.84 2k1w s THR 22 N -3.32 0.14 -0.04 0.00 -1.32 -1.26 -3.00 115.64 106.84 2k1w s THR 22 Ca 0.08 -0.11 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 2k1w s THR 22 Cb -0.02 -0.61 0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2k1w s THR 22 CO -0.04 -0.09 0.64 -1.54 -2.21 0.00 0.00 174.62 171.37 2k1w n SER 23 N 5.20 -0.48 -3.49 8.08 3.41 -1.26 -5.03 113.62 120.05 2k1w n SER 23 Ca -0.07 -1.02 -0.40 0.00 -0.26 0.00 0.00 58.87 57.12 2k1w n SER 23 Cb 0.49 0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 65.16 2k1w n SER 23 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k1w n ASP 24 N -0.49 7.90 -4.87 4.04 8.00 -1.26 -4.93 116.55 124.93 2k1w n ASP 24 Ca 0.03 -3.07 -0.31 0.00 0.71 0.00 0.00 54.79 52.16 2k1w n ASP 24 Cb 0.27 -1.40 0.03 0.00 -0.02 0.00 0.00 41.12 40.01 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k1w s GLN 25 N -0.62 3.18 0.00 -1.24 1.11 -1.26 -4.95 119.66 115.88 2k1w s GLN 25 Ca 0.55 0.61 0.16 0.00 0.01 0.00 0.00 55.36 56.69 2k1w s GLN 25 Cb 0.18 -2.04 0.91 0.00 -1.01 0.00 0.00 33.01 31.04 2k1w s GLN 25 CO -0.08 -0.84 1.59 -0.35 0.01 0.00 0.00 175.29 175.62 2k1w n PRO 26 N -2.91 1.07 0.00 2.91 -0.04 -1.26 -4.91 135.00 129.87 2k1w n PRO 26 Ca 0.07 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2k1w n PRO 26 Cb 0.56 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2k1w n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1w n GLY 27 N 0.78 -3.29 3.02 0.55 0.00 -1.25 -4.59 105.19 100.40 2k1w n GLY 27 Ca 0.12 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.23 -0.53 -0.29 4.61 0.00 -1.26 -4.88 121.76 118.17 2k1w s ALA 28 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2k1w s ALA 28 Cb 0.00 -0.80 0.20 0.00 0.00 0.00 0.00 23.12 22.52 2k1w s ALA 28 CO 0.00 -0.40 0.59 0.20 0.00 0.00 0.00 175.76 176.15 2k1w s GLY 29 N 1.79 -1.17 -0.32 0.00 0.00 -1.21 -4.50 107.32 101.91 2k1w s GLY 29 Ca -0.04 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.05 2k1w s GLY 29 CO -0.08 3.58 0.70 -0.35 0.00 0.00 0.00 173.10 176.94 2k1w s ASP 30 N 2.84 -1.35 0.16 1.64 2.15 -1.26 -3.94 116.67 116.92 2k1w s ASP 30 Ca 0.14 -0.10 -0.23 0.00 0.43 0.00 0.00 52.55 52.78 2k1w s ASP 30 Cb -0.12 1.80 0.07 0.00 -0.30 0.00 0.00 42.92 44.37 2k1w s ASP 30 CO -0.24 -0.22 0.67 0.20 -0.17 0.00 0.00 175.17 175.41 2k1w s ASN 31 N 2.54 -0.48 -0.41 -0.34 0.01 0.94 -5.03 114.94 112.17 2k1w s ASN 31 Ca 0.14 -0.12 -0.20 0.00 -0.71 0.00 0.00 52.86 51.98 2k1w s ASN 31 Cb -0.06 0.59 0.02 0.00 0.41 0.00 0.00 41.25 42.20 2k1w s ASN 31 CO -0.20 -0.99 0.60 -1.48 -1.51 0.00 0.00 177.10 173.53 2k1w s LEU 32 N -2.75 4.46 0.34 0.60 2.34 -1.26 -3.46 118.68 118.95 2k1w s LEU 32 Ca 0.04 -0.23 0.00 0.00 0.06 0.00 0.00 54.13 53.99 2k1w s LEU 32 Cb -0.02 -2.69 0.00 0.00 -0.56 0.00 0.00 46.19 42.93 2k1w s LEU 32 CO -0.09 -0.68 0.00 -3.20 -1.06 0.00 0.00 176.35 171.32 2k1w n ASN 33 N 6.08 -6.87 -4.20 1.48 2.85 -1.26 -4.56 115.26 108.79 2k1w n ASN 33 Ca -0.03 0.93 -0.36 0.00 -0.11 0.00 0.00 54.58 55.01 2k1w n ASN 33 Cb 0.48 -3.27 -0.05 0.00 1.24 0.00 0.00 39.78 38.18 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2k1w n ASP 34 N -0.47 3.19 -2.22 1.20 8.00 -1.26 -3.94 116.55 121.05 2k1w n ASP 34 Ca 0.00 -2.73 -0.03 0.00 0.71 0.00 0.00 54.79 52.74 2k1w n ASP 34 Cb 0.00 -1.52 0.02 0.00 -0.02 0.00 0.00 41.12 39.59 2k1w n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k1w n LYS 35 N 7.71 0.27 -1.61 -1.24 4.76 -1.26 -4.47 118.16 122.31 2k1w n LYS 35 Ca 0.48 -0.24 -0.49 0.00 -2.87 0.00 0.00 58.31 55.18 2k1w n LYS 35 Cb 0.44 -0.09 -0.05 0.00 -1.84 0.00 0.00 35.03 33.49 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2k1w n ILE 36 N -1.80 0.41 -4.24 -0.18 3.06 -1.26 -4.92 119.36 110.43 2k1w n ILE 36 Ca 0.02 -0.10 -0.14 0.00 -2.50 0.00 0.00 62.75 60.03 2k1w n ILE 36 Cb 0.06 -1.02 -0.10 0.00 0.54 0.00 0.00 39.64 39.12 2k1w n ILE 36 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2k1w s SER 37 N 0.37 1.67 -0.25 9.51 0.15 -1.24 -1.63 113.70 122.28 2k1w s SER 37 Ca 0.78 -1.02 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2k1w s SER 37 Cb -0.84 0.01 0.06 0.00 -1.71 0.00 0.00 66.02 63.54 2k1w s SER 37 CO 0.47 -0.37 -0.08 -0.55 1.20 0.00 0.00 173.24 173.92 2k1w s SER 38 N -3.15 4.10 -0.26 5.45 0.15 -1.08 -4.18 113.70 114.73 2k1w s SER 38 Ca 0.16 -1.27 0.02 0.00 0.70 0.00 0.00 55.95 55.57 2k1w s SER 38 Cb 0.03 -1.33 0.06 0.00 -1.71 0.00 0.00 66.02 63.07 2k1w s SER 38 CO -0.00 -0.22 -0.08 -0.63 1.20 0.00 0.00 173.24 173.51 2k1w s ILE 39 N 1.27 1.98 -0.30 6.45 1.09 -0.94 -0.09 121.20 130.65 2k1w s ILE 39 Ca -0.07 -1.56 -0.02 0.00 -1.10 0.00 0.00 60.65 57.91 2k1w s ILE 39 Cb -0.19 -2.16 0.10 0.00 -1.06 0.00 0.00 42.46 39.15 2k1w s ILE 39 CO -0.06 -0.09 0.10 -0.75 -0.10 0.00 0.00 174.94 174.04 2k1w s LYS 40 N 1.18 0.61 0.01 2.79 2.20 -1.21 -1.65 119.74 123.67 2k1w s LYS 40 Ca -0.07 -0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 54.50 2k1w s LYS 40 Cb -0.20 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 2k1w s LYS 40 CO -0.06 -0.97 0.25 0.08 -0.36 0.00 0.00 175.35 174.29 2k1w s VAL 41 N 1.73 0.08 -0.40 4.02 1.01 -1.25 -4.03 120.40 121.55 2k1w s VAL 41 Ca 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2k1w s VAL 41 Cb -0.17 -0.67 0.15 0.00 0.00 0.00 0.00 36.38 35.68 2k1w s VAL 41 CO -0.26 -0.35 0.26 -0.54 0.00 0.00 0.00 175.10 174.21 2k1w s LYS 42 N -1.75 0.92 -0.31 2.72 1.02 -1.26 -2.01 119.74 119.08 2k1w s LYS 42 Ca -0.11 -1.77 -0.02 0.00 0.02 0.00 0.00 55.97 54.09 2k1w s LYS 42 Cb -0.04 -1.72 0.19 0.00 -0.52 0.00 0.00 37.83 35.74 2k1w s LYS 42 CO 0.01 -1.24 0.80 -1.54 -0.92 0.00 0.00 175.35 172.47 2k1w s SER 43 N 0.55 -1.06 0.83 2.83 1.04 -1.26 -4.77 113.70 111.86 2k1w s SER 43 Ca 0.21 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2k1w s SER 43 Cb -0.17 1.62 0.00 0.00 0.10 0.00 0.00 66.02 67.56 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 5.09 1.93 3.41 7.32 0.00 -1.25 -4.47 105.19 117.22 2k1w n GLY 44 Ca 0.07 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 2.43 0.04 2.61 -4.23 -1.12 -3.27 115.64 112.11 2k1w s THR 45 Ca 0.00 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.94 2k1w s THR 45 Cb 0.00 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 2k1w s THR 45 CO 0.00 0.15 -0.11 0.26 -0.54 0.00 0.00 174.62 174.37 2k1w s TRP 46 N -1.04 0.97 -0.14 3.99 0.51 -0.86 -0.12 118.94 122.25 2k1w s TRP 46 Ca 0.15 -0.40 -0.06 0.00 -2.12 0.00 0.00 56.10 53.67 2k1w s TRP 46 Cb -0.10 -0.57 -0.04 0.00 -0.81 0.00 0.00 33.47 31.95 2k1w s TRP 46 CO 0.06 -0.00 0.09 1.03 -0.51 0.00 0.00 176.95 177.63 2k1w s ARG 47 N -1.32 3.57 -0.06 4.98 3.00 -0.61 -1.68 118.95 126.82 2k1w s ARG 47 Ca -0.03 -0.24 0.03 0.00 0.00 0.00 0.00 55.73 55.49 2k1w s ARG 47 Cb -0.08 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2k1w s ARG 47 CO 0.01 0.59 -0.16 -0.06 0.00 0.00 0.00 175.30 175.68 2k1w s PHE 48 N -0.51 1.75 -0.26 -0.53 0.08 0.10 -2.51 117.98 116.10 2k1w s PHE 48 Ca 0.11 -0.60 -0.16 0.00 0.12 0.00 0.00 56.93 56.40 2k1w s PHE 48 Cb -0.12 -1.21 0.07 0.00 -0.57 0.00 0.00 43.02 41.19 2k1w s PHE 48 CO 0.02 -0.25 0.65 1.52 -0.10 0.00 0.00 175.22 177.05 2k1w s TYR 49 N 0.34 -0.96 -1.14 0.36 -0.85 -1.12 -0.14 117.35 113.85 2k1w s TYR 49 Ca -0.11 1.98 -0.05 0.00 -0.52 0.00 0.00 57.07 58.37 2k1w s TYR 49 Cb -0.14 0.53 0.27 0.00 0.38 0.00 0.00 41.96 42.99 2k1w s TYR 49 CO 0.04 -0.48 1.67 0.39 -1.52 0.00 0.00 175.55 175.66 2k1w n GLU 50 N 4.08 4.40 -3.09 -3.49 4.71 -1.25 -1.08 120.64 124.91 2k1w n GLU 50 Ca -0.20 -4.26 0.00 0.00 -0.01 0.00 0.00 57.16 52.70 2k1w n GLU 50 Cb 0.58 -2.61 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2k1w n TYR 51 N 1.79 0.00 -0.42 -0.32 4.01 -0.58 -4.66 117.16 116.97 2k1w n TYR 51 Ca 0.34 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.79 2k1w n TYR 51 Cb 0.33 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.76 0.00 0.07 -0.72 -5.35 -1.24 -4.45 119.36 108.43 2k1w n ILE 52 Ca 0.00 -0.40 -0.07 0.00 -0.27 0.00 0.00 62.75 62.01 2k1w n ILE 52 Cb 0.00 -0.98 0.07 0.00 -1.74 0.00 0.00 39.64 37.00 2k1w n ILE 52 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2k1w h ASN 53 N -2.91 0.34 -1.95 7.28 -1.24 -1.98 -3.31 115.58 111.80 2k1w h ASN 53 Ca -0.59 -0.21 -0.60 0.00 0.71 0.00 0.00 56.30 55.60 2k1w h ASN 53 Cb 1.34 -0.10 -0.41 0.00 0.73 0.00 0.00 38.32 39.88 2k1w h ASN 53 CO 0.45 0.92 -0.56 0.00 -1.29 0.00 0.00 177.43 176.95 2k1w n TYR 54 N -3.83 3.71 0.00 0.67 0.18 -1.26 -4.79 117.16 111.84 2k1w n TYR 54 Ca -0.03 -3.52 0.00 0.00 1.88 0.00 0.00 57.90 56.23 2k1w n TYR 54 Cb 0.67 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 39.26 2k1w n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k1w n GLY 55 N -0.35 -1.77 3.81 -7.48 0.00 -1.25 -5.19 105.19 92.97 2k1w n GLY 55 Ca 0.36 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.95 2k1w n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1w s GLY 56 N 0.00 0.36 -0.63 -0.02 0.00 -1.26 -3.60 107.32 102.17 2k1w s GLY 56 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 2k1w s GLY 56 CO 0.00 -0.18 1.26 -1.60 0.00 0.00 0.00 173.10 172.58 2k1w s ARG 57 N -2.30 3.37 -0.03 2.90 3.00 -1.26 -4.99 118.95 119.64 2k1w s ARG 57 Ca 0.16 0.13 -0.30 0.00 -1.00 0.00 0.00 55.73 54.72 2k1w s ARG 57 Cb -0.05 -4.09 -0.02 0.00 0.00 0.00 0.00 34.95 30.79 2k1w s ARG 57 CO 0.11 -1.88 0.98 -0.47 0.00 0.00 0.00 175.30 174.04 2k1w s TYR 58 N 5.40 3.61 -0.28 5.12 5.04 -1.26 -3.87 117.35 131.11 2k1w s TYR 58 Ca 0.42 1.65 0.01 0.00 -2.44 0.00 0.00 57.07 56.71 2k1w s TYR 58 Cb -0.08 -3.13 0.17 0.00 0.35 0.00 0.00 41.96 39.27 2k1w s TYR 58 CO 0.22 -0.07 0.46 -0.46 -1.34 0.00 0.00 175.55 174.36 2k1w s TRP 59 N 1.30 -1.21 0.24 4.97 -0.00 0.80 -5.00 118.94 120.04 2k1w s TRP 59 Ca 0.50 0.78 0.07 0.00 -0.00 0.00 0.00 56.10 57.45 2k1w s TRP 59 Cb -0.20 0.07 -0.04 0.00 -0.00 0.00 0.00 33.47 33.31 2k1w s TRP 59 CO 0.25 -0.93 0.20 0.16 -0.00 0.00 0.00 176.95 176.63 2k1w s ASP 60 N 2.64 5.57 0.15 5.86 -4.77 -1.26 0.03 116.67 124.89 2k1w s ASP 60 Ca 0.12 -0.21 -0.19 0.00 -3.30 0.00 0.00 52.55 48.97 2k1w s ASP 60 Cb -0.13 -1.44 0.05 0.00 -1.09 0.00 0.00 42.92 40.31 2k1w s ASP 60 CO -0.25 -0.02 0.50 -1.48 0.70 0.00 0.00 175.17 174.62 2k1w s LEU 61 N -3.73 -0.07 0.00 2.11 0.05 -0.68 -4.96 118.68 111.40 2k1w s LEU 61 Ca 0.33 -0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.33 2k1w s LEU 61 Cb -0.08 2.22 0.00 0.00 -2.05 0.00 0.00 46.19 46.27 2k1w s LEU 61 CO 0.25 -0.92 0.00 0.61 -0.55 0.00 0.00 176.35 175.74 2k1w n GLY 62 N -0.30 0.16 3.56 -3.48 0.00 -1.26 -2.02 105.19 101.85 2k1w n GLY 62 Ca -0.16 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 2k1w n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1w s PRO 63 N -0.02 2.77 -0.02 1.61 0.04 -1.20 -4.85 135.00 133.34 2k1w s PRO 63 Ca 0.00 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 2k1w s PRO 63 Cb 0.00 -4.36 0.10 0.00 0.04 0.00 0.00 34.50 30.29 2k1w s PRO 63 CO 0.00 -2.54 0.87 0.20 0.04 0.00 0.00 177.00 175.57 2k1w s GLY 64 N 8.02 -0.45 0.01 0.56 0.00 -0.85 -4.91 107.32 109.69 2k1w s GLY 64 Ca 0.75 1.15 0.03 0.00 0.00 0.00 0.00 44.72 46.64 2k1w s GLY 64 CO 0.25 0.47 -0.04 1.85 0.00 0.00 0.00 173.10 175.63 2k1w s GLU 65 N -2.75 2.63 0.16 2.90 -6.30 -1.26 -3.77 118.70 110.31 2k1w s GLU 65 Ca 0.03 -0.69 -0.23 0.00 -2.50 0.00 0.00 54.97 51.57 2k1w s GLU 65 Cb -0.01 -2.56 0.07 0.00 0.00 0.00 0.00 34.13 31.63 2k1w s GLU 65 CO -0.07 0.61 0.61 1.52 0.02 0.00 0.00 175.26 177.95 2k1w s TYR 66 N -1.05 -0.53 -0.48 5.30 1.13 -0.66 -5.00 117.35 116.05 2k1w s TYR 66 Ca 0.18 0.32 0.06 0.00 -1.41 0.00 0.00 57.07 56.22 2k1w s TYR 66 Cb -0.11 0.56 0.25 0.00 -1.10 0.00 0.00 41.96 41.56 2k1w s TYR 66 CO 0.09 -0.85 0.92 -1.13 -2.51 0.00 0.00 175.55 172.06 2k1w n SER 67 N -0.38 -2.83 -2.00 -0.18 3.41 -1.26 -2.22 113.62 108.15 2k1w n SER 67 Ca -0.17 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 2k1w n SER 67 Cb 0.65 1.83 0.00 0.00 -0.26 0.00 0.00 64.21 66.43 2k1w n SER 67 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1w n SER 68 N 1.53 0.00 -0.86 4.04 7.64 -1.26 -4.85 113.62 119.86 2k1w n SER 68 Ca 0.09 -0.99 -0.05 0.00 1.01 0.00 0.00 58.87 58.93 2k1w n SER 68 Cb 0.64 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.79 2k1w n SER 68 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2k1w n VAL 69 N -1.72 0.00 0.00 0.44 3.14 -1.26 -3.69 118.33 115.24 2k1w n VAL 69 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k1w n VAL 69 Cb 0.00 0.35 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 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 -0.00 0.00 -0.48 1.45 0.28 -1.26 -4.82 120.64 115.80 2k1w n GLU 70 Ca -0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.84 2k1w n GLU 70 Cb 0.57 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.66 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 3.54 -0.63 -1.84 2.88 -1.26 -3.69 113.62 112.62 2k1w n SER 71 Ca 0.00 -2.49 0.02 0.00 -1.33 0.00 0.00 58.87 55.06 2k1w n SER 71 Cb 0.00 -0.59 0.02 0.00 -0.75 0.00 0.00 64.21 62.89 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 0.35 2.11 -1.13 -1.46 0.00 -1.26 -5.08 120.51 114.04 2k1w n ALA 72 Ca 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.19 2k1w n ALA 72 Cb 0.75 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.05 -4.02 2.23 0.00 0.00 -1.24 -4.94 105.19 97.16 2k1w n GLY 73 Ca 0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.37 -0.23 -0.07 -0.61 5.41 -1.26 -4.86 119.36 116.37 2k1w n ILE 74 Ca 0.00 -4.27 -0.09 0.00 1.00 0.00 0.00 62.75 59.39 2k1w n ILE 74 Cb 0.11 -1.65 -0.06 0.00 -0.71 0.00 0.00 39.64 37.34 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2k1w h PRO 75 N 3.81 0.00 -1.01 0.38 0.11 -1.92 -3.42 132.00 129.94 2k1w h PRO 75 Ca 0.09 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.41 2k1w h PRO 75 Cb 0.87 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.64 2k1w h PRO 75 CO 0.51 0.46 0.84 0.34 -0.21 0.00 0.00 178.00 179.93 2k1w s ASP 76 N -6.02 -0.01 -0.37 -2.05 2.15 -1.26 -4.64 116.67 104.47 2k1w s ASP 76 Ca -0.14 0.02 -0.01 0.00 0.43 0.00 0.00 52.55 52.85 2k1w s ASP 76 Cb 0.01 0.67 0.25 0.00 -0.30 0.00 0.00 42.92 43.55 2k1w s ASP 76 CO 0.34 -0.00 2.01 -3.20 -0.17 0.00 0.00 175.17 174.16 2k1w n ASN 77 N 2.51 6.60 -4.52 -0.34 4.05 -1.25 -4.39 115.26 117.93 2k1w n ASN 77 Ca -0.15 -3.17 -0.26 0.00 0.45 0.00 0.00 54.58 51.45 2k1w n ASN 77 Cb 0.56 -1.04 -0.10 0.00 1.23 0.00 0.00 39.78 40.43 2k1w n ASN 77 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2k1w s SER 78 N -0.12 3.94 -0.97 1.20 0.01 -1.22 -0.04 113.70 116.50 2k1w s SER 78 Ca 0.36 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 2k1w s SER 78 Cb 0.28 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2k1w s SER 78 CO -0.00 0.10 0.06 -0.38 0.41 0.00 0.00 173.24 173.42 2k1w n ILE 79 N -0.02 -0.58 -2.81 1.44 5.41 -1.26 -4.02 119.36 117.52 2k1w n ILE 79 Ca -0.10 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.34 2k1w n ILE 79 Cb 0.56 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.88 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 -2.11 6.50 -0.27 4.38 0.01 -1.25 -1.53 113.70 119.42 2k1w s SER 80 Ca 0.05 1.13 -0.24 0.00 1.31 0.00 0.00 55.95 58.20 2k1w s SER 80 Cb -0.03 -2.32 0.07 0.00 0.21 0.00 0.00 66.02 63.95 2k1w s SER 80 CO 0.06 -0.43 0.73 -0.55 0.41 0.00 0.00 173.24 173.46 2k1w s SER 81 N -3.25 -0.76 -0.06 2.44 0.15 -0.24 -3.30 113.70 108.68 2k1w s SER 81 Ca 0.51 1.44 -0.04 0.00 0.70 0.00 0.00 55.95 58.56 2k1w s SER 81 Cb -0.10 1.44 0.03 0.00 -1.71 0.00 0.00 66.02 65.67 2k1w s SER 81 CO 0.33 -0.24 0.15 0.72 1.20 0.00 0.00 173.24 175.39 2k1w s PHE 82 N 0.52 -0.16 -0.03 3.44 -0.71 -1.26 -2.78 117.98 117.00 2k1w s PHE 82 Ca -0.01 0.44 0.07 0.00 -1.04 0.00 0.00 56.93 56.39 2k1w s PHE 82 Cb -0.05 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.73 2k1w s PHE 82 CO -0.02 -0.12 -0.25 1.03 -1.34 0.00 0.00 175.22 174.52 2k1w s ARG 83 N 0.64 2.18 -0.08 1.99 1.81 -1.04 -3.92 118.95 120.52 2k1w s ARG 83 Ca -0.05 -0.88 -0.10 0.00 -1.72 0.00 0.00 55.73 52.99 2k1w s ARG 83 Cb -0.06 -2.00 -0.05 0.00 -0.45 0.00 0.00 34.95 32.39 2k1w s ARG 83 CO -0.03 0.47 0.23 -0.65 -0.68 0.00 0.00 175.30 174.64 2k1w s GLN 84 N -0.41 3.62 0.00 3.54 1.11 -1.26 -1.58 119.66 124.68 2k1w s GLN 84 Ca 0.05 0.05 0.11 0.00 0.01 0.00 0.00 55.36 55.58 2k1w s GLN 84 Cb -0.11 -3.21 0.09 0.00 -1.01 0.00 0.00 33.01 28.77 2k1w s GLN 84 CO 0.01 0.73 0.86 -0.89 0.01 0.00 0.00 175.29 176.01