#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 3.02 -0.44 7.83 3.84 -1.26 -5.03 114.94 122.90 2k1w s ASN 2 Ca 0.00 -0.56 0.05 0.00 0.21 0.00 0.00 52.86 52.56 2k1w s ASN 2 Cb 0.00 -1.39 0.42 0.00 -0.55 0.00 0.00 41.25 39.74 2k1w s ASN 2 CO 0.00 0.13 1.17 0.00 -2.79 0.00 0.00 177.10 175.62 2k1w n ALA 3 N 3.67 5.15 -2.76 1.71 0.00 -1.26 -4.75 120.51 122.27 2k1w n ALA 3 Ca -0.19 -4.25 -0.10 0.00 0.00 0.00 0.00 53.44 48.90 2k1w n ALA 3 Cb 0.53 -0.60 0.06 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.51 2.06 -3.54 0.00 0.00 -1.26 -4.97 120.51 112.29 2k1w n ALA 4 Ca 0.41 -2.40 -0.27 0.00 0.00 0.00 0.00 53.44 51.17 2k1w n ALA 4 Cb 0.67 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.59 0.18 -0.46 0.00 0.41 -1.26 -4.55 118.70 111.43 2k1w s GLU 5 Ca 0.27 -0.42 -0.11 0.00 -0.41 0.00 0.00 54.97 54.29 2k1w s GLU 5 Cb 0.41 -1.21 0.10 0.00 -1.78 0.00 0.00 34.13 31.65 2k1w s GLU 5 CO -0.03 -0.97 0.34 0.08 -0.49 0.00 0.00 175.26 174.20 2k1w s VAL 6 N 2.13 4.48 -0.34 2.63 1.01 -1.18 -4.50 120.40 124.63 2k1w s VAL 6 Ca 0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.50 2k1w s VAL 6 Cb -0.16 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.45 2k1w s VAL 6 CO -0.32 -0.67 0.09 -0.51 0.00 0.00 0.00 175.10 173.68 2k1w s ILE 7 N 1.45 3.28 0.21 2.22 2.07 -1.25 -2.52 121.20 126.67 2k1w s ILE 7 Ca 0.04 -1.53 0.08 0.00 -1.41 0.00 0.00 60.65 57.84 2k1w s ILE 7 Cb -0.25 -2.99 -0.05 0.00 0.13 0.00 0.00 42.46 39.30 2k1w s ILE 7 CO 0.02 -0.30 -0.16 0.68 -1.91 0.00 0.00 174.94 173.27 2k1w s VAL 8 N 1.26 1.84 -0.01 4.00 -7.23 -0.93 -3.45 120.40 115.88 2k1w s VAL 8 Ca -0.00 -2.19 0.07 0.00 -1.81 0.00 0.00 61.98 58.05 2k1w s VAL 8 Cb -0.21 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2k1w s VAL 8 CO -0.01 -0.53 -0.24 -0.31 -0.31 0.00 0.00 175.10 173.70 2k1w s TYR 9 N -2.77 2.10 -0.36 2.82 1.51 0.27 -0.41 117.35 120.51 2k1w s TYR 9 Ca 0.22 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 2k1w s TYR 9 Cb -0.02 -1.34 0.53 0.00 -0.11 0.00 0.00 41.96 41.02 2k1w s TYR 9 CO 0.08 -0.01 1.67 -1.91 -1.11 0.00 0.00 175.55 174.26 2k1w n GLU 10 N 2.39 2.26 -2.56 -0.62 4.07 -1.17 -3.48 120.64 121.53 2k1w n GLU 10 Ca -0.16 -2.32 0.01 0.00 -0.06 0.00 0.00 57.16 54.63 2k1w n GLU 10 Cb 0.52 -1.93 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 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 -0.58 -0.26 -0.66 4.31 -0.00 -1.26 -4.85 115.22 111.92 2k1w n HIS 11 Ca 0.42 -0.25 -0.29 0.00 0.46 0.00 0.00 57.72 58.07 2k1w n HIS 11 Cb 1.34 0.11 0.22 0.00 -0.12 0.00 0.00 29.99 31.55 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 -2.12 2.08 -0.15 3.57 0.11 0.31 -1.84 120.40 122.36 2k1w s VAL 12 Ca 0.10 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.17 2k1w s VAL 12 Cb -0.00 -2.14 0.10 0.00 -1.53 0.00 0.00 36.38 32.81 2k1w s VAL 12 CO -0.00 -0.03 1.95 -3.20 -3.33 0.00 0.00 175.10 170.48 2k1w n ASN 13 N -4.68 5.67 -0.73 3.54 2.85 -1.26 -3.37 115.26 117.29 2k1w n ASN 13 Ca 0.05 -2.69 -0.01 0.00 -0.11 0.00 0.00 54.58 51.82 2k1w n ASN 13 Cb 0.54 -1.06 -0.01 0.00 1.24 0.00 0.00 39.78 40.49 2k1w n ASN 13 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k1w n PHE 14 N 0.90 0.00 0.00 1.20 3.72 -1.26 -5.01 117.46 117.00 2k1w n PHE 14 Ca 0.14 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2k1w n PHE 14 Cb 0.55 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k1w n GLY 15 N 0.07 -1.44 3.75 1.37 0.00 -1.22 -5.19 105.19 102.53 2k1w n GLY 15 Ca -0.05 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.22 -0.10 -0.02 0.00 -1.26 -4.51 107.32 101.21 2k1w s GLY 16 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.42 2k1w s GLY 16 CO 0.00 -0.02 0.63 1.25 0.00 0.00 0.00 173.10 174.95 2k1w s LYS 17 N -3.83 4.38 -0.41 2.90 2.20 -1.26 -4.93 119.74 118.78 2k1w s LYS 17 Ca 0.09 0.72 -0.17 0.00 -0.36 0.00 0.00 55.97 56.24 2k1w s LYS 17 Cb -0.05 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2k1w s LYS 17 CO 0.02 0.05 0.44 -1.54 -0.36 0.00 0.00 175.35 173.95 2k1w s SER 18 N 0.80 6.20 -0.70 1.43 1.04 -1.26 -3.03 113.70 118.18 2k1w s SER 18 Ca 0.33 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 55.93 2k1w s SER 18 Cb -0.17 -2.22 0.09 0.00 0.10 0.00 0.00 66.02 63.82 2k1w s SER 18 CO 0.15 -0.57 0.94 0.12 0.98 0.00 0.00 173.24 174.86 2k1w s PHE 19 N 2.15 2.82 -0.39 5.02 5.36 0.45 -4.91 117.98 128.47 2k1w s PHE 19 Ca 0.12 -0.79 -0.03 0.00 -0.96 0.00 0.00 56.93 55.27 2k1w s PHE 19 Cb -0.17 -4.24 0.10 0.00 -0.34 0.00 0.00 43.02 38.37 2k1w s PHE 19 CO 0.14 -1.55 0.18 0.16 -1.46 0.00 0.00 175.22 172.68 2k1w s ASP 20 N 3.66 5.24 0.09 6.13 -4.77 -1.25 -2.18 116.67 123.59 2k1w s ASP 20 Ca 0.22 -1.85 -0.26 0.00 -3.30 0.00 0.00 52.55 47.36 2k1w s ASP 20 Cb -0.16 -1.83 0.08 0.00 -1.09 0.00 0.00 42.92 39.92 2k1w s ASP 20 CO 0.06 -0.50 0.85 0.00 0.70 0.00 0.00 175.17 176.28 2k1w s ALA 21 N 1.19 -1.69 -0.25 2.11 0.00 -1.05 -4.96 121.76 117.11 2k1w s ALA 21 Ca 0.06 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.53 2k1w s ALA 21 Cb -0.22 0.60 0.13 0.00 0.00 0.00 0.00 23.12 23.63 2k1w s ALA 21 CO -0.03 -0.83 0.47 0.99 0.00 0.00 0.00 175.76 176.36 2k1w s THR 22 N -3.34 -0.75 -0.04 0.00 2.01 -1.26 -3.11 115.64 109.15 2k1w s THR 22 Ca 0.07 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2k1w s THR 22 Cb -0.01 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.68 2k1w s THR 22 CO -0.05 -0.03 0.59 -0.24 -0.69 0.00 0.00 174.62 174.20 2k1w n SER 23 N 5.40 -0.15 -2.89 3.53 2.88 -1.26 -5.00 113.62 116.13 2k1w n SER 23 Ca -0.05 -1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 56.26 2k1w n SER 23 Cb 0.50 0.11 0.06 0.00 -0.75 0.00 0.00 64.21 64.13 2k1w n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k1w n ASP 24 N -0.11 -3.46 -4.87 -3.46 8.00 -1.26 -5.01 116.55 106.37 2k1w n ASP 24 Ca -0.03 -0.51 -0.30 0.00 0.71 0.00 0.00 54.79 54.65 2k1w n ASP 24 Cb 0.53 -4.15 0.03 0.00 -0.02 0.00 0.00 41.12 37.51 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 -4.68 3.10 -0.00 -1.24 1.11 -1.26 -5.05 119.66 111.64 2k1w s GLN 25 Ca 0.14 0.58 -0.00 0.00 0.01 0.00 0.00 55.36 56.09 2k1w s GLN 25 Cb -0.02 -2.04 -0.00 0.00 -1.01 0.00 0.00 33.01 29.94 2k1w s GLN 25 CO 0.57 -0.89 -0.00 -1.00 0.01 0.00 0.00 175.29 173.99 2k1w h PRO 26 N -0.55 0.00 0.00 2.91 0.13 -1.95 -3.42 132.00 129.12 2k1w h PRO 26 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k1w h PRO 26 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k1w h PRO 26 CO 0.63 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 2k1w n GLY 27 N 1.97 0.68 3.41 1.56 0.00 -1.25 -3.53 105.19 108.04 2k1w n GLY 27 Ca -0.00 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.51 -0.27 4.61 0.00 -1.26 -4.91 121.76 119.44 2k1w s ALA 28 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2k1w s ALA 28 Cb 0.00 1.22 0.15 0.00 0.00 0.00 0.00 23.12 24.50 2k1w s ALA 28 CO 0.00 -0.73 0.41 0.20 0.00 0.00 0.00 175.76 175.64 2k1w s GLY 29 N -3.11 -0.55 -0.29 0.00 0.00 -1.26 -4.50 107.32 97.60 2k1w s GLY 29 Ca 0.31 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.63 2k1w s GLY 29 CO 0.12 2.93 0.68 -0.35 0.00 0.00 0.00 173.10 176.48 2k1w s ASP 30 N 2.57 -1.35 -0.67 1.64 -1.08 -1.26 -5.11 116.67 111.41 2k1w s ASP 30 Ca 0.11 0.37 -0.22 0.00 -0.52 0.00 0.00 52.55 52.29 2k1w s ASP 30 Cb -0.14 1.94 0.07 0.00 -1.46 0.00 0.00 42.92 43.34 2k1w s ASP 30 CO -0.24 -0.25 0.96 0.21 0.52 0.00 0.00 175.17 176.37 2k1w s ASN 31 N 2.86 6.19 -0.35 -0.34 3.04 -1.21 -4.49 114.94 120.63 2k1w s ASN 31 Ca 0.14 -1.05 0.13 0.00 0.04 0.00 0.00 52.86 52.12 2k1w s ASN 31 Cb -0.10 -2.41 0.42 0.00 -1.54 0.00 0.00 41.25 37.62 2k1w s ASN 31 CO -0.23 -1.41 1.32 0.18 -3.04 0.00 0.00 177.10 173.91 2k1w n LEU 32 N 7.60 -0.82 -1.21 3.21 4.77 -1.26 -4.94 117.00 124.37 2k1w n LEU 32 Ca -0.03 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.57 2k1w n LEU 32 Cb 0.45 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2k1w n LEU 32 CO 0.63 1.69 -0.34 -3.20 -1.33 0.00 0.00 177.39 174.84 2k1w n ASN 33 N -0.80 -6.78 -4.05 -1.43 2.85 -1.26 -4.55 115.26 99.24 2k1w n ASN 33 Ca -0.04 0.93 -0.39 0.00 -0.11 0.00 0.00 54.58 54.97 2k1w n ASN 33 Cb 0.85 -3.33 -0.03 0.00 1.24 0.00 0.00 39.78 38.50 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 -0.76 3.39 -4.58 1.20 8.00 -1.26 -3.90 116.55 118.65 2k1w n ASP 34 Ca 0.00 -2.76 -0.27 0.00 0.71 0.00 0.00 54.79 52.47 2k1w n ASP 34 Cb 0.00 -1.50 0.12 0.00 -0.02 0.00 0.00 41.12 39.72 2k1w n ASP 34 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k1w s LYS 35 N 4.80 1.49 0.14 -1.24 3.01 -1.26 -4.48 119.74 122.20 2k1w s LYS 35 Ca 0.57 -0.51 -0.35 0.00 -1.01 0.00 0.00 55.97 54.67 2k1w s LYS 35 Cb 0.09 -2.08 -0.15 0.00 -1.01 0.00 0.00 37.83 34.67 2k1w s LYS 35 CO 0.07 -1.73 1.37 1.51 0.51 0.00 0.00 175.35 177.07 2k1w n ILE 36 N -3.22 0.28 -4.31 2.17 3.06 -1.26 -4.87 119.36 111.21 2k1w n ILE 36 Ca 0.12 -0.07 -0.17 0.00 -2.50 0.00 0.00 62.75 60.14 2k1w n ILE 36 Cb 0.60 -1.06 -0.10 0.00 0.54 0.00 0.00 39.64 39.62 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 0.46 2.25 -0.37 9.51 0.01 -1.26 -0.53 113.70 123.79 2k1w s SER 37 Ca 0.79 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2k1w s SER 37 Cb -0.84 -0.08 0.10 0.00 0.21 0.00 0.00 66.02 65.41 2k1w s SER 37 CO 0.46 -0.24 0.11 -0.55 0.41 0.00 0.00 173.24 173.43 2k1w s SER 38 N -3.26 4.96 -0.38 2.44 0.15 -0.77 -4.22 113.70 112.62 2k1w s SER 38 Ca 0.20 -2.11 -0.10 0.00 0.70 0.00 0.00 55.95 54.64 2k1w s SER 38 Cb 0.01 -1.71 0.04 0.00 -1.71 0.00 0.00 66.02 62.65 2k1w s SER 38 CO 0.04 -0.44 0.21 -0.63 1.20 0.00 0.00 173.24 173.62 2k1w s ILE 39 N 0.99 4.42 -0.31 6.45 1.09 -0.90 -0.57 121.20 132.37 2k1w s ILE 39 Ca 0.10 -1.02 -0.02 0.00 -1.10 0.00 0.00 60.65 58.62 2k1w s ILE 39 Cb -0.20 -3.52 0.10 0.00 -1.06 0.00 0.00 42.46 37.77 2k1w s ILE 39 CO -0.07 -0.30 0.11 -0.75 -0.10 0.00 0.00 174.94 173.84 2k1w s LYS 40 N 1.51 0.54 -0.03 2.79 2.36 -1.22 -1.81 119.74 123.88 2k1w s LYS 40 Ca 0.02 -0.92 -0.14 0.00 -2.55 0.00 0.00 55.97 52.38 2k1w s LYS 40 Cb -0.20 -1.70 0.02 0.00 -1.05 0.00 0.00 37.83 34.90 2k1w s LYS 40 CO 0.05 -1.01 0.30 0.08 1.55 0.00 0.00 175.35 176.33 2k1w s VAL 41 N 1.74 0.05 -0.42 4.02 1.01 -1.25 -4.06 120.40 121.49 2k1w s VAL 41 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2k1w s VAL 41 Cb -0.17 -0.58 0.13 0.00 0.00 0.00 0.00 36.38 35.76 2k1w s VAL 41 CO -0.28 -0.24 0.23 -0.54 0.00 0.00 0.00 175.10 174.27 2k1w s LYS 42 N -1.14 1.18 -0.30 2.72 3.01 -1.26 -2.39 119.74 121.56 2k1w s LYS 42 Ca -0.12 -1.89 -0.01 0.00 -1.01 0.00 0.00 55.97 52.94 2k1w s LYS 42 Cb -0.05 -2.21 0.19 0.00 -1.01 0.00 0.00 37.83 34.75 2k1w s LYS 42 CO 0.04 -1.16 0.78 0.45 0.51 0.00 0.00 175.35 175.97 2k1w s SER 43 N 0.49 -1.11 0.71 2.83 0.15 -1.26 -4.84 113.70 110.66 2k1w s SER 43 Ca 0.17 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2k1w s SER 43 Cb -0.24 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2k1w s SER 43 CO -0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2k1w n GLY 44 N 5.22 2.03 3.36 9.45 0.00 -1.25 -4.48 105.19 119.53 2k1w n GLY 44 Ca 0.07 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 2.06 0.17 2.61 -4.23 -1.07 -3.54 115.64 111.63 2k1w s THR 45 Ca 0.00 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 2k1w s THR 45 Cb 0.00 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 2k1w s THR 45 CO 0.00 -0.03 -0.11 0.26 -0.54 0.00 0.00 174.62 174.20 2k1w s TRP 46 N -1.28 1.41 -0.32 3.99 0.51 -0.93 -0.80 118.94 121.52 2k1w s TRP 46 Ca 0.13 -0.70 0.00 0.00 -2.12 0.00 0.00 56.10 53.41 2k1w s TRP 46 Cb -0.09 -0.70 0.08 0.00 -0.81 0.00 0.00 33.47 31.95 2k1w s TRP 46 CO 0.06 0.17 0.03 1.03 -0.51 0.00 0.00 176.95 177.73 2k1w s ARG 47 N -3.72 2.06 -0.10 4.98 3.00 -0.91 -1.92 118.95 122.34 2k1w s ARG 47 Ca 0.19 -1.56 -0.14 0.00 0.00 0.00 0.00 55.73 54.22 2k1w s ARG 47 Cb 0.02 -3.21 -0.05 0.00 0.00 0.00 0.00 34.95 31.71 2k1w s ARG 47 CO 0.03 -0.79 0.35 -0.06 0.00 0.00 0.00 175.30 174.83 2k1w s PHE 48 N 1.11 3.57 -0.29 -0.53 0.08 0.11 -3.05 117.98 118.97 2k1w s PHE 48 Ca 0.01 0.78 -0.13 0.00 0.12 0.00 0.00 56.93 57.71 2k1w s PHE 48 Cb -0.20 -2.33 0.11 0.00 -0.57 0.00 0.00 43.02 40.03 2k1w s PHE 48 CO -0.04 0.40 0.67 1.52 -0.10 0.00 0.00 175.22 177.67 2k1w s TYR 49 N -0.13 -1.22 -1.22 0.36 -0.85 -1.04 -0.10 117.35 113.15 2k1w s TYR 49 Ca 0.21 2.24 -0.09 0.00 -0.52 0.00 0.00 57.07 58.90 2k1w s TYR 49 Cb -0.14 0.73 0.20 0.00 0.38 0.00 0.00 41.96 43.13 2k1w s TYR 49 CO 0.08 -0.60 1.68 0.39 -1.52 0.00 0.00 175.55 175.58 2k1w n GLU 50 N 4.93 3.75 0.00 -3.49 4.71 -1.25 -1.37 120.64 127.91 2k1w n GLU 50 Ca -0.16 -3.84 0.00 0.00 -0.01 0.00 0.00 57.16 53.16 2k1w n GLU 50 Cb 0.54 -2.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.12 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 3.60 0.00 -1.02 -0.32 4.01 -0.74 -4.63 117.16 118.06 2k1w n TYR 51 Ca 0.36 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.77 2k1w n TYR 51 Cb 0.37 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.53 2k1w n TYR 51 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2k1w n ILE 52 N -0.03 1.66 0.27 -0.72 3.06 -1.21 -4.39 119.36 117.99 2k1w n ILE 52 Ca 0.00 -0.17 0.17 0.00 -2.50 0.00 0.00 62.75 60.26 2k1w n ILE 52 Cb 0.00 -1.16 0.91 0.00 0.54 0.00 0.00 39.64 39.93 2k1w n ILE 52 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 2k1w h ASN 53 N -1.10 0.00 -3.48 9.51 4.21 -1.97 -3.29 115.58 119.46 2k1w h ASN 53 Ca -0.46 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.43 2k1w h ASN 53 Cb 1.29 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 38.08 2k1w h ASN 53 CO 0.45 0.00 -0.64 -0.31 -1.29 0.00 0.00 177.43 175.64 2k1w s TYR 54 N -3.85 3.12 0.00 1.19 1.51 -1.26 -4.87 117.35 113.18 2k1w s TYR 54 Ca -0.03 -3.13 0.00 0.00 -1.01 0.00 0.00 57.07 52.90 2k1w s TYR 54 Cb 0.10 -2.53 0.00 0.00 -0.11 0.00 0.00 41.96 39.42 2k1w s TYR 54 CO 0.33 -0.65 0.00 0.41 -1.11 0.00 0.00 175.55 174.53 2k1w n GLY 55 N 2.54 0.80 3.82 0.71 0.00 -1.24 -5.17 105.19 106.65 2k1w n GLY 55 Ca 0.15 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 0.26 -0.64 -0.02 0.00 -1.26 -4.08 107.32 101.58 2k1w s GLY 56 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 2k1w s GLY 56 CO 0.00 -0.06 1.28 -1.60 0.00 0.00 0.00 173.10 172.72 2k1w s ARG 57 N -2.59 3.33 -0.01 2.90 3.00 -1.26 -4.99 118.95 119.33 2k1w s ARG 57 Ca 0.15 0.10 -0.29 0.00 -1.00 0.00 0.00 55.73 54.70 2k1w s ARG 57 Cb -0.05 -4.10 -0.03 0.00 0.00 0.00 0.00 34.95 30.76 2k1w s ARG 57 CO 0.10 -1.93 0.93 -0.47 0.00 0.00 0.00 175.30 173.93 2k1w s TYR 58 N 5.54 3.65 -0.29 5.12 5.04 -1.26 -3.90 117.35 131.25 2k1w s TYR 58 Ca 0.42 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.69 2k1w s TYR 58 Cb -0.08 -3.06 0.17 0.00 0.35 0.00 0.00 41.96 39.34 2k1w s TYR 58 CO 0.21 0.02 0.48 -0.46 -1.34 0.00 0.00 175.55 174.46 2k1w s TRP 59 N 0.94 -1.31 0.24 4.97 -0.00 0.86 -5.00 118.94 119.64 2k1w s TRP 59 Ca 0.49 0.72 0.05 0.00 -0.00 0.00 0.00 56.10 57.36 2k1w s TRP 59 Cb -0.20 0.06 -0.03 0.00 -0.00 0.00 0.00 33.47 33.30 2k1w s TRP 59 CO 0.26 -0.99 0.36 0.16 -0.00 0.00 0.00 176.95 176.74 2k1w s ASP 60 N 2.66 6.27 0.16 5.86 -4.77 -1.26 0.04 116.67 125.62 2k1w s ASP 60 Ca 0.11 0.04 -0.22 0.00 -3.30 0.00 0.00 52.55 49.18 2k1w s ASP 60 Cb -0.12 -1.81 0.07 0.00 -1.09 0.00 0.00 42.92 39.96 2k1w s ASP 60 CO -0.27 -0.08 0.58 -1.48 0.70 0.00 0.00 175.17 174.62 2k1w s LEU 61 N -3.98 -0.48 0.00 2.11 0.05 -0.81 -4.94 118.68 110.63 2k1w s LEU 61 Ca 0.34 -0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.49 2k1w s LEU 61 Cb -0.09 2.53 0.00 0.00 -2.05 0.00 0.00 46.19 46.58 2k1w s LEU 61 CO 0.29 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.74 2k1w n GLY 62 N -0.37 0.53 3.57 -3.48 0.00 -1.26 -2.19 105.19 101.98 2k1w n GLY 62 Ca -0.17 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 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 0.13 2.86 0.01 1.61 0.04 -1.23 -4.88 135.00 133.53 2k1w s PRO 63 Ca 0.00 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.77 2k1w s PRO 63 Cb 0.00 -4.33 0.10 0.00 0.04 0.00 0.00 34.50 30.31 2k1w s PRO 63 CO 0.00 -2.44 0.85 0.20 0.04 0.00 0.00 177.00 175.66 2k1w s GLY 64 N 7.69 -0.48 -0.03 0.56 0.00 -1.01 -4.92 107.32 109.14 2k1w s GLY 64 Ca 0.75 0.96 0.03 0.00 0.00 0.00 0.00 44.72 46.46 2k1w s GLY 64 CO 0.26 0.33 -0.08 1.85 0.00 0.00 0.00 173.10 175.46 2k1w s GLU 65 N -3.17 2.60 0.10 2.90 -6.30 -1.26 -3.75 118.70 109.83 2k1w s GLU 65 Ca 0.04 -0.66 -0.25 0.00 -2.50 0.00 0.00 54.97 51.60 2k1w s GLU 65 Cb -0.01 -2.51 0.07 0.00 0.00 0.00 0.00 34.13 31.68 2k1w s GLU 65 CO -0.09 0.63 0.62 1.52 0.02 0.00 0.00 175.26 177.96 2k1w s TYR 66 N -0.89 -0.57 -0.50 5.30 1.13 -0.75 -5.01 117.35 116.05 2k1w s TYR 66 Ca 0.15 0.56 0.06 0.00 -1.41 0.00 0.00 57.07 56.43 2k1w s TYR 66 Cb -0.11 0.52 0.21 0.00 -1.10 0.00 0.00 41.96 41.48 2k1w s TYR 66 CO 0.04 -0.78 0.80 0.45 -2.51 0.00 0.00 175.55 173.55 2k1w n SER 67 N -0.01 -3.20 -4.60 -0.18 2.88 -1.26 -2.12 113.62 105.12 2k1w n SER 67 Ca -0.18 -3.03 -0.27 0.00 -1.33 0.00 0.00 58.87 54.07 2k1w n SER 67 Cb 0.63 1.77 0.12 0.00 -0.75 0.00 0.00 64.21 65.97 2k1w n SER 67 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k1w s SER 68 N -0.14 4.13 0.00 -3.46 0.01 -1.26 -4.91 113.70 108.08 2k1w s SER 68 Ca 0.31 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2k1w s SER 68 Cb 0.09 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2k1w s SER 68 CO -0.13 -2.05 0.52 0.55 0.41 0.00 0.00 173.24 172.55 2k1w n VAL 69 N -3.19 0.00 -1.87 3.43 3.14 -1.26 -4.01 118.33 114.57 2k1w n VAL 69 Ca 0.12 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2k1w n VAL 69 Cb 0.60 0.47 0.00 0.00 -1.06 0.00 0.00 33.84 33.85 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 -0.50 1.45 0.28 -1.26 -4.88 120.64 115.74 2k1w n GLU 70 Ca 0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2k1w n GLU 70 Cb 0.55 0.32 -0.00 0.00 1.43 0.00 0.00 31.44 33.74 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 -0.00 -0.63 -1.84 2.88 -1.26 -4.89 113.62 107.88 2k1w n SER 71 Ca -0.00 -1.38 0.02 0.00 -1.33 0.00 0.00 58.87 56.18 2k1w n SER 71 Cb 0.35 -0.08 0.02 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.00 2.14 -1.59 -1.46 0.00 -1.26 -5.06 120.51 113.27 2k1w n ALA 72 Ca -0.00 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.97 2k1w n ALA 72 Cb 0.58 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.10 -4.72 2.64 0.00 0.00 -1.26 -4.94 105.19 96.80 2k1w n GLY 73 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 1.17 3.07 -0.07 -0.61 5.41 -1.26 -4.86 119.36 122.21 2k1w n ILE 74 Ca 0.00 -5.44 -0.04 0.00 1.00 0.00 0.00 62.75 58.26 2k1w n ILE 74 Cb 0.00 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.04 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 3.96 0.00 -1.04 0.38 0.11 -1.92 -3.44 132.00 130.05 2k1w h PRO 75 Ca 0.20 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.51 2k1w h PRO 75 Cb 0.59 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.37 2k1w h PRO 75 CO 0.90 0.05 0.87 0.16 -0.21 0.00 0.00 178.00 179.77 2k1w s ASP 76 N -5.73 -0.03 -0.35 -2.05 -4.77 -1.26 -4.55 116.67 97.92 2k1w s ASP 76 Ca -0.12 0.05 -0.01 0.00 -3.30 0.00 0.00 52.55 49.18 2k1w s ASP 76 Cb 0.02 0.32 0.27 0.00 -1.09 0.00 0.00 42.92 42.43 2k1w s ASP 76 CO 0.19 -0.01 1.95 -3.20 0.70 0.00 0.00 175.17 174.80 2k1w n ASN 77 N 1.95 6.21 -4.90 2.11 4.05 -1.25 -4.30 115.26 119.13 2k1w n ASN 77 Ca -0.12 -3.13 -0.34 0.00 0.45 0.00 0.00 54.58 51.44 2k1w n ASN 77 Cb 0.57 -1.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.53 2k1w n ASN 77 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2k1w s SER 78 N -0.14 6.41 -1.06 1.20 0.15 -1.26 -3.35 113.70 115.65 2k1w s SER 78 Ca 0.35 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.39 2k1w s SER 78 Cb 0.28 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 2k1w s SER 78 CO 0.00 0.25 0.10 -0.38 1.20 0.00 0.00 173.24 174.41 2k1w n ILE 79 N 0.94 -0.67 -2.95 6.45 2.08 -1.26 -3.98 119.36 119.98 2k1w n ILE 79 Ca -0.10 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 62.87 2k1w n ILE 79 Cb 0.53 -1.74 -0.07 0.00 -0.75 0.00 0.00 39.64 37.61 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k1w s SER 80 N -2.16 6.96 -0.12 4.38 0.01 -1.26 -1.80 113.70 119.71 2k1w s SER 80 Ca 0.07 1.55 -0.29 0.00 1.31 0.00 0.00 55.95 58.59 2k1w s SER 80 Cb -0.04 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.79 2k1w s SER 80 CO 0.09 -0.22 0.70 -0.55 0.41 0.00 0.00 173.24 173.68 2k1w s SER 81 N -2.06 -0.68 -0.15 2.44 0.15 -0.47 -4.48 113.70 108.44 2k1w s SER 81 Ca 0.55 0.94 -0.07 0.00 0.70 0.00 0.00 55.95 58.07 2k1w s SER 81 Cb -0.12 0.82 0.06 0.00 -1.71 0.00 0.00 66.02 65.08 2k1w s SER 81 CO 0.17 -0.49 0.35 0.72 1.20 0.00 0.00 173.24 175.19 2k1w s PHE 82 N -0.69 -0.53 -0.21 3.44 -0.71 -1.26 -2.49 117.98 115.53 2k1w s PHE 82 Ca -0.07 1.14 -0.06 0.00 -1.04 0.00 0.00 56.93 56.90 2k1w s PHE 82 Cb -0.02 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 2k1w s PHE 82 CO 0.07 -0.33 0.03 1.03 -1.34 0.00 0.00 175.22 174.68 2k1w s ARG 83 N 1.66 3.72 -0.14 1.99 1.81 -1.17 -3.77 118.95 123.05 2k1w s ARG 83 Ca -0.07 -0.46 -0.18 0.00 -1.72 0.00 0.00 55.73 53.29 2k1w s ARG 83 Cb -0.10 -3.17 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 2k1w s ARG 83 CO -0.11 0.04 0.49 -0.65 -0.68 0.00 0.00 175.30 174.38 2k1w s GLN 84 N 0.97 4.30 0.00 3.54 1.11 -1.26 -2.14 119.66 126.17 2k1w s GLN 84 Ca 0.03 0.43 0.21 0.00 0.01 0.00 0.00 55.36 56.04 2k1w s GLN 84 Cb -0.14 -3.47 0.17 0.00 -1.01 0.00 0.00 33.01 28.55 2k1w s GLN 84 CO 0.02 0.07 1.17 -0.89 0.01 0.00 0.00 175.29 175.68