#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 1.83 -0.39 3.17 -0.87 -1.26 -5.10 114.94 112.32 2k1w s ASN 2 Ca 0.00 -1.30 0.04 0.00 -1.57 0.00 0.00 52.86 50.03 2k1w s ASN 2 Cb 0.00 0.02 0.30 0.00 -0.02 0.00 0.00 41.25 41.55 2k1w s ASN 2 CO 0.00 -0.59 1.21 0.00 -2.57 0.00 0.00 177.10 175.16 2k1w n ALA 3 N -0.50 -2.23 -3.04 0.60 0.00 -1.26 -4.28 120.51 109.81 2k1w n ALA 3 Ca -0.03 -0.86 -0.10 0.00 0.00 0.00 0.00 53.44 52.44 2k1w n ALA 3 Cb 0.65 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w s ALA 4 N 0.22 0.07 -0.60 0.00 0.00 -1.26 -5.05 121.76 115.13 2k1w s ALA 4 Ca 0.24 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 2k1w s ALA 4 Cb 0.27 1.11 0.10 0.00 0.00 0.00 0.00 23.12 24.60 2k1w s ALA 4 CO -0.14 -0.82 0.74 -1.21 0.00 0.00 0.00 175.76 174.33 2k1w s GLU 5 N -3.84 3.06 -0.03 0.00 2.02 -1.26 -4.51 118.70 114.14 2k1w s GLU 5 Ca 0.25 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 54.01 2k1w s GLU 5 Cb 0.00 -4.27 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 2k1w s GLU 5 CO 0.11 -1.57 -0.16 0.08 0.02 0.00 0.00 175.26 173.74 2k1w s VAL 6 N 2.82 1.30 -0.16 2.63 1.01 -1.20 -4.60 120.40 122.19 2k1w s VAL 6 Ca 0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2k1w s VAL 6 Cb -0.23 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.13 2k1w s VAL 6 CO 0.06 0.37 0.24 -0.51 0.00 0.00 0.00 175.10 175.27 2k1w s ILE 7 N -0.13 -0.38 0.14 2.22 2.07 -1.26 0.15 121.20 124.02 2k1w s ILE 7 Ca 0.01 0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.38 2k1w s ILE 7 Cb -0.09 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 2k1w s ILE 7 CO 0.01 -0.03 -0.09 0.68 -1.91 0.00 0.00 174.94 173.59 2k1w s VAL 8 N 2.38 1.08 0.06 4.00 -7.23 0.86 -3.31 120.40 118.23 2k1w s VAL 8 Ca 0.05 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 2k1w s VAL 8 Cb -0.14 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 2k1w s VAL 8 CO -0.10 -0.75 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.40 2k1w s TYR 9 N -3.39 2.41 -0.35 2.82 1.51 0.99 0.01 117.35 121.35 2k1w s TYR 9 Ca 0.16 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 2k1w s TYR 9 Cb 0.03 -1.39 0.47 0.00 -0.11 0.00 0.00 41.96 40.96 2k1w s TYR 9 CO -0.00 0.21 1.53 0.39 -1.11 0.00 0.00 175.55 176.57 2k1w n GLU 10 N 1.52 2.33 -1.78 -0.62 1.02 -1.24 -3.41 120.64 118.47 2k1w n GLU 10 Ca -0.17 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 2k1w n GLU 10 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2k1w n HIS 11 N -0.30 -0.18 -1.82 -0.32 -0.00 -1.25 -4.86 115.22 106.49 2k1w n HIS 11 Ca 0.33 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.14 2k1w n HIS 11 Cb 1.16 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 31.09 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 -2.18 2.18 0.13 3.57 0.11 0.86 -1.02 120.40 124.06 2k1w s VAL 12 Ca 0.00 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.90 2k1w s VAL 12 Cb 0.00 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 2k1w s VAL 12 CO 0.00 -0.02 1.61 -1.13 -3.33 0.00 0.00 175.10 172.23 2k1w h ASN 13 N 0.86 -1.03 -0.41 3.54 -0.73 -1.90 -0.87 115.58 115.05 2k1w h ASN 13 Ca -0.51 0.14 -0.26 0.00 1.87 0.00 0.00 56.30 57.54 2k1w h ASN 13 Cb 1.32 0.43 -0.11 0.00 0.27 0.00 0.00 38.32 40.23 2k1w h ASN 13 CO 0.55 -0.38 0.29 2.22 -0.37 0.00 0.00 177.43 179.74 2k1w n PHE 14 N -5.42 1.15 0.00 0.67 -1.74 -1.26 -4.02 117.46 106.84 2k1w n PHE 14 Ca -0.04 -1.74 0.00 0.00 -0.56 0.00 0.00 57.45 55.11 2k1w n PHE 14 Cb 0.33 -0.93 0.00 0.00 1.52 0.00 0.00 39.48 40.41 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1w n GLY 15 N 0.74 -0.10 3.71 4.97 0.00 -0.45 -5.18 105.19 108.89 2k1w n GLY 15 Ca 0.26 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.27 0.35 -0.02 0.00 -0.52 -3.60 107.32 103.26 2k1w s GLY 16 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.62 2k1w s GLY 16 CO 0.00 -0.00 0.66 -1.59 0.00 0.00 0.00 173.10 172.16 2k1w s LYS 17 N -3.85 3.68 -0.11 2.90 0.00 -1.26 -4.97 119.74 116.14 2k1w s LYS 17 Ca 0.08 0.20 -0.18 0.00 0.00 0.00 0.00 55.97 56.07 2k1w s LYS 17 Cb -0.04 -2.52 -0.04 0.00 0.00 0.00 0.00 37.83 35.22 2k1w s LYS 17 CO 0.00 0.08 0.47 -1.54 0.00 0.00 0.00 175.35 174.37 2k1w s SER 18 N -3.24 6.70 -0.35 0.03 1.04 -1.26 -3.59 113.70 113.02 2k1w s SER 18 Ca 0.47 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.76 2k1w s SER 18 Cb -0.10 -2.29 0.10 0.00 0.10 0.00 0.00 66.02 63.83 2k1w s SER 18 CO 0.31 0.03 0.09 0.12 0.98 0.00 0.00 173.24 174.77 2k1w s PHE 19 N 0.46 3.17 -0.44 5.02 2.19 0.10 -5.00 117.98 123.48 2k1w s PHE 19 Ca 0.26 -2.71 -0.17 0.00 0.33 0.00 0.00 56.93 54.64 2k1w s PHE 19 Cb -0.15 -2.60 0.03 0.00 -1.31 0.00 0.00 43.02 38.99 2k1w s PHE 19 CO 0.11 -0.91 0.46 0.16 1.83 0.00 0.00 175.22 176.86 2k1w s ASP 20 N 0.94 6.19 -0.33 6.13 -4.77 -1.26 -0.10 116.67 123.47 2k1w s ASP 20 Ca 0.12 -0.81 -0.29 0.00 -3.30 0.00 0.00 52.55 48.27 2k1w s ASP 20 Cb -0.19 -2.23 0.02 0.00 -1.09 0.00 0.00 42.92 39.43 2k1w s ASP 20 CO -0.11 -0.63 1.08 0.00 0.70 0.00 0.00 175.17 176.21 2k1w s ALA 21 N 2.13 3.47 0.00 2.11 0.00 0.12 -4.89 121.76 124.70 2k1w s ALA 21 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2k1w s ALA 21 Cb -0.18 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2k1w s ALA 21 CO 0.12 -1.54 0.00 0.25 0.00 0.00 0.00 175.76 174.59 2k1w n THR 22 N 5.94 0.00 -1.08 0.00 -2.24 -1.26 -3.20 114.28 112.43 2k1w n THR 22 Ca 0.12 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.58 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 -2.49 6.58 0.00 3.42 7.64 -1.26 -3.17 113.62 124.34 2k1w n SER 23 Ca 0.00 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.40 2k1w n SER 23 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 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 4.16 0.00 -4.86 6.43 2.03 -1.26 -5.07 116.55 117.99 2k1w n ASP 24 Ca 0.61 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.61 2k1w n ASP 24 Cb 0.20 0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 2k1w n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k1w s GLN 25 N -1.43 3.78 0.00 -0.67 1.03 -1.19 -5.03 119.66 116.16 2k1w s GLN 25 Ca 0.00 0.85 0.00 0.00 0.04 0.00 0.00 55.36 56.25 2k1w s GLN 25 Cb 0.00 -2.11 0.00 0.00 0.03 0.00 0.00 33.01 30.93 2k1w s GLN 25 CO 0.00 -0.41 0.84 -0.35 -2.54 0.00 0.00 175.29 172.83 2k1w n PRO 26 N -2.12 0.00 0.00 9.60 -0.04 -1.26 -4.85 135.00 136.33 2k1w n PRO 26 Ca 0.06 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2k1w n PRO 26 Cb 0.54 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.86 0.07 3.28 0.55 0.00 -1.26 -4.81 105.19 102.16 2k1w n GLY 27 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.90 1.07 0.13 4.61 0.00 -1.26 -4.72 121.76 120.69 2k1w s ALA 28 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 2k1w s ALA 28 Cb 0.00 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.43 2k1w s ALA 28 CO 0.00 -0.65 0.09 0.20 0.00 0.00 0.00 175.76 175.40 2k1w s GLY 29 N -3.18 0.88 0.28 0.00 0.00 -1.26 -5.02 107.32 99.03 2k1w s GLY 29 Ca 0.37 -1.36 0.06 0.00 0.00 0.00 0.00 44.72 43.79 2k1w s GLY 29 CO 0.15 -1.27 0.34 0.99 0.00 0.00 0.00 173.10 173.30 2k1w s ASP 30 N -3.03 5.88 0.13 1.64 1.11 -1.26 -4.51 116.67 116.62 2k1w s ASP 30 Ca 0.22 -0.16 -0.14 0.00 0.18 0.00 0.00 52.55 52.66 2k1w s ASP 30 Cb 0.07 -1.45 0.02 0.00 1.07 0.00 0.00 42.92 42.63 2k1w s ASP 30 CO 0.01 -0.20 0.35 0.21 1.18 0.00 0.00 175.17 176.72 2k1w s ASN 31 N -4.00 -0.12 -0.17 0.27 3.84 -1.26 -5.04 114.94 108.46 2k1w s ASN 31 Ca 0.38 -0.48 -0.07 0.00 0.21 0.00 0.00 52.86 52.90 2k1w s ASN 31 Cb -0.08 0.45 -0.04 0.00 -0.55 0.00 0.00 41.25 41.02 2k1w s ASN 31 CO 0.28 -0.85 0.07 -0.22 -2.79 0.00 0.00 177.10 173.60 2k1w s LEU 32 N -2.84 3.91 0.14 3.21 2.96 -1.26 -3.96 118.68 120.84 2k1w s LEU 32 Ca 0.06 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2k1w s LEU 32 Cb 0.02 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.74 2k1w s LEU 32 CO -0.10 0.22 0.00 0.59 -1.32 0.00 0.00 176.35 175.75 2k1w n ASN 33 N 3.21 -7.24 -3.23 3.68 5.03 -1.25 -4.66 115.26 110.80 2k1w n ASN 33 Ca -0.17 1.07 -0.32 0.00 0.87 0.00 0.00 54.58 56.03 2k1w n ASN 33 Cb 0.53 -4.05 -0.03 0.00 -1.02 0.00 0.00 39.78 35.21 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2k1w n ASP 34 N 1.42 7.24 -4.42 6.41 8.00 -1.26 -4.21 116.55 129.73 2k1w n ASP 34 Ca 0.00 -2.47 -0.27 0.00 0.71 0.00 0.00 54.79 52.76 2k1w n ASP 34 Cb 0.00 -1.38 0.15 0.00 -0.02 0.00 0.00 41.12 39.87 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 2.61 1.18 0.10 -1.24 -0.14 -1.26 -4.30 119.74 116.68 2k1w s LYS 35 Ca 0.58 -0.72 -0.36 0.00 -1.36 0.00 0.00 55.97 54.11 2k1w s LYS 35 Cb 0.15 -2.08 -0.17 0.00 -1.68 0.00 0.00 37.83 34.06 2k1w s LYS 35 CO -0.05 -1.92 1.30 1.51 -0.76 0.00 0.00 175.35 175.43 2k1w n ILE 36 N -3.31 0.15 -4.38 2.17 3.06 -1.26 -4.82 119.36 110.98 2k1w n ILE 36 Ca 0.15 -0.04 -0.24 0.00 -2.50 0.00 0.00 62.75 60.12 2k1w n ILE 36 Cb 0.60 -0.79 -0.11 0.00 0.54 0.00 0.00 39.64 39.88 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 0.38 3.04 -0.40 9.51 0.01 -1.26 -0.10 113.70 124.89 2k1w s SER 37 Ca 0.83 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2k1w s SER 37 Cb -0.95 -0.21 0.11 0.00 0.21 0.00 0.00 66.02 65.18 2k1w s SER 37 CO 0.48 0.03 0.18 -0.44 0.41 0.00 0.00 173.24 173.90 2k1w s SER 38 N -2.72 5.16 -0.43 2.44 0.01 -0.18 -3.87 113.70 114.10 2k1w s SER 38 Ca 0.19 -2.07 -0.09 0.00 1.31 0.00 0.00 55.95 55.29 2k1w s SER 38 Cb -0.07 -1.79 0.09 0.00 0.21 0.00 0.00 66.02 64.46 2k1w s SER 38 CO 0.08 -0.51 0.28 -0.63 0.41 0.00 0.00 173.24 172.87 2k1w s ILE 39 N 1.08 4.21 -0.32 1.44 1.09 -0.27 -0.01 121.20 128.42 2k1w s ILE 39 Ca 0.09 -1.50 0.03 0.00 -1.10 0.00 0.00 60.65 58.17 2k1w s ILE 39 Cb -0.22 -3.63 0.09 0.00 -1.06 0.00 0.00 42.46 37.64 2k1w s ILE 39 CO -0.05 -0.58 0.03 -0.75 -0.10 0.00 0.00 174.94 173.50 2k1w s LYS 40 N 1.40 1.52 0.01 2.79 2.20 -1.21 -0.09 119.74 126.36 2k1w s LYS 40 Ca 0.04 -1.72 -0.09 0.00 -0.36 0.00 0.00 55.97 53.83 2k1w s LYS 40 Cb -0.24 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2k1w s LYS 40 CO 0.01 -0.89 0.19 0.08 -0.36 0.00 0.00 175.35 174.38 2k1w s VAL 41 N 1.00 0.08 -0.42 4.02 1.01 -1.25 -4.02 120.40 120.83 2k1w s VAL 41 Ca 0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2k1w s VAL 41 Cb -0.19 -0.57 0.15 0.00 0.00 0.00 0.00 36.38 35.76 2k1w s VAL 41 CO -0.09 -0.38 0.26 -0.75 0.00 0.00 0.00 175.10 174.14 2k1w s LYS 42 N -1.61 1.00 -0.31 2.72 2.36 -1.26 -2.72 119.74 119.92 2k1w s LYS 42 Ca -0.13 -1.84 -0.02 0.00 -2.55 0.00 0.00 55.97 51.43 2k1w s LYS 42 Cb -0.06 -1.83 0.19 0.00 -1.05 0.00 0.00 37.83 35.08 2k1w s LYS 42 CO 0.01 -1.23 0.82 -1.54 1.55 0.00 0.00 175.35 174.96 2k1w s SER 43 N 0.47 -1.02 0.77 1.43 1.04 -1.26 -4.99 113.70 110.14 2k1w s SER 43 Ca 0.21 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2k1w s SER 43 Cb -0.18 1.58 0.00 0.00 0.10 0.00 0.00 66.02 67.53 2k1w s SER 43 CO -0.04 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2k1w n GLY 44 N 5.05 2.55 3.38 7.32 0.00 -1.25 -4.40 105.19 117.84 2k1w n GLY 44 Ca 0.07 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 2.15 0.10 2.61 -4.23 -1.11 -3.36 115.64 111.80 2k1w s THR 45 Ca 0.00 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2k1w s THR 45 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2k1w s THR 45 CO 0.00 -0.12 -0.06 0.26 -0.54 0.00 0.00 174.62 174.16 2k1w s TRP 46 N -1.58 0.88 -0.12 3.99 0.51 -0.82 -0.11 118.94 121.69 2k1w s TRP 46 Ca 0.17 -0.93 0.01 0.00 -2.12 0.00 0.00 56.10 53.23 2k1w s TRP 46 Cb -0.08 -0.51 -0.01 0.00 -0.81 0.00 0.00 33.47 32.05 2k1w s TRP 46 CO 0.08 -0.16 -0.16 1.03 -0.51 0.00 0.00 176.95 177.23 2k1w s ARG 47 N -3.84 3.24 -0.06 4.98 3.00 -0.43 -1.63 118.95 124.21 2k1w s ARG 47 Ca 0.12 -0.73 0.06 0.00 0.00 0.00 0.00 55.73 55.18 2k1w s ARG 47 Cb 0.05 -2.54 -0.01 0.00 0.00 0.00 0.00 34.95 32.46 2k1w s ARG 47 CO -0.05 0.24 -0.24 -0.06 0.00 0.00 0.00 175.30 175.19 2k1w s PHE 48 N 0.26 2.46 -0.28 -0.53 0.08 0.10 -2.34 117.98 117.74 2k1w s PHE 48 Ca -0.11 -0.65 -0.20 0.00 0.12 0.00 0.00 56.93 56.09 2k1w s PHE 48 Cb -0.16 -1.60 0.08 0.00 -0.57 0.00 0.00 43.02 40.77 2k1w s PHE 48 CO 0.06 -0.17 0.72 1.52 -0.10 0.00 0.00 175.22 177.25 2k1w s TYR 49 N -0.23 -0.93 -1.16 0.36 -0.85 -1.02 -0.29 117.35 113.23 2k1w s TYR 49 Ca -0.01 2.01 -0.05 0.00 -0.52 0.00 0.00 57.07 58.49 2k1w s TYR 49 Cb -0.13 0.47 0.24 0.00 0.38 0.00 0.00 41.96 42.92 2k1w s TYR 49 CO 0.03 -0.46 1.79 0.39 -1.52 0.00 0.00 175.55 175.78 2k1w n GLU 50 N 3.57 4.42 -3.03 -3.49 1.02 -1.26 -1.07 120.64 120.80 2k1w n GLU 50 Ca -0.17 -4.12 0.00 0.00 -0.02 0.00 0.00 57.16 52.85 2k1w n GLU 50 Cb 0.57 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k1w n TYR 51 N 1.88 0.00 -0.19 -0.32 4.01 -0.79 -4.68 117.16 117.06 2k1w n TYR 51 Ca 0.39 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.88 2k1w n TYR 51 Cb 0.32 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.27 0.00 -0.69 -0.72 -5.35 -1.25 -4.20 119.36 107.42 2k1w n ILE 52 Ca 0.00 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.30 2k1w n ILE 52 Cb 0.00 -0.79 0.13 0.00 -1.74 0.00 0.00 39.64 37.25 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 -5.11 3.68 -1.89 7.28 2.85 -1.26 -4.14 115.26 116.67 2k1w n ASN 53 Ca 0.11 -3.22 -0.01 0.00 -0.11 0.00 0.00 54.58 51.36 2k1w n ASN 53 Cb 0.48 -0.76 0.03 0.00 1.24 0.00 0.00 39.78 40.77 2k1w n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k1w n TYR 54 N -0.73 -0.54 0.00 1.20 4.11 -1.26 -5.05 117.16 114.89 2k1w n TYR 54 Ca 0.45 -0.48 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 2k1w n TYR 54 Cb 1.36 0.85 0.00 0.00 -0.00 0.00 0.00 39.34 41.56 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 -0.41 -1.81 1.84 -7.48 0.00 -1.26 -5.18 105.19 90.88 2k1w n GLY 55 Ca -0.07 0.75 -0.04 0.00 0.00 0.00 0.00 46.02 46.66 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 1.48 3.57 -0.02 0.00 -1.26 -4.20 105.19 104.77 2k1w n GLY 56 Ca 0.00 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.04 3.38 -0.04 1.61 3.00 -1.26 -4.98 118.95 118.62 2k1w s ARG 57 Ca 0.08 0.14 -0.29 0.00 -1.00 0.00 0.00 55.73 54.66 2k1w s ARG 57 Cb -0.02 -4.08 -0.03 0.00 0.00 0.00 0.00 34.95 30.82 2k1w s ARG 57 CO 0.06 -1.87 0.95 -0.47 0.00 0.00 0.00 175.30 173.97 2k1w s TYR 58 N 5.39 3.61 -0.28 5.12 5.04 -1.26 -3.86 117.35 131.11 2k1w s TYR 58 Ca 0.42 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.68 2k1w s TYR 58 Cb -0.08 -3.10 0.17 0.00 0.35 0.00 0.00 41.96 39.30 2k1w s TYR 58 CO 0.22 -0.06 0.46 -0.46 -1.34 0.00 0.00 175.55 174.38 2k1w s TRP 59 N 1.25 -1.22 0.23 4.97 -0.00 0.61 -4.99 118.94 119.79 2k1w s TRP 59 Ca 0.49 0.75 0.07 0.00 -0.00 0.00 0.00 56.10 57.41 2k1w s TRP 59 Cb -0.20 0.06 -0.04 0.00 -0.00 0.00 0.00 33.47 33.30 2k1w s TRP 59 CO 0.24 -0.94 0.19 0.16 -0.00 0.00 0.00 176.95 176.60 2k1w s ASP 60 N 2.64 5.56 0.16 5.86 -4.77 -1.26 0.02 116.67 124.88 2k1w s ASP 60 Ca 0.12 -0.21 -0.23 0.00 -3.30 0.00 0.00 52.55 48.92 2k1w s ASP 60 Cb -0.13 -1.43 0.07 0.00 -1.09 0.00 0.00 42.92 40.34 2k1w s ASP 60 CO -0.25 -0.02 0.61 -1.48 0.70 0.00 0.00 175.17 174.73 2k1w s LEU 61 N -3.71 -0.55 0.00 2.11 0.05 -0.64 -4.96 118.68 110.97 2k1w s LEU 61 Ca 0.33 -0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.49 2k1w s LEU 61 Cb -0.08 2.59 0.00 0.00 -2.05 0.00 0.00 46.19 46.64 2k1w s LEU 61 CO 0.25 -0.97 0.00 0.61 -0.55 0.00 0.00 176.35 175.69 2k1w n GLY 62 N -0.38 0.50 3.56 -3.48 0.00 -1.26 -1.95 105.19 102.19 2k1w n GLY 62 Ca -0.16 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 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 1.41 2.51 0.02 1.61 0.04 -1.21 -4.87 135.00 134.51 2k1w s PRO 63 Ca 0.00 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2k1w s PRO 63 Cb 0.00 -4.46 0.10 0.00 0.04 0.00 0.00 34.50 30.17 2k1w s PRO 63 CO 0.00 -2.82 0.87 0.20 0.04 0.00 0.00 177.00 175.29 2k1w s GLY 64 N 9.93 -0.46 -0.39 0.56 0.00 -1.10 -4.97 107.32 110.89 2k1w s GLY 64 Ca 0.88 0.90 -0.15 0.00 0.00 0.00 0.00 44.72 46.35 2k1w s GLY 64 CO 0.27 0.29 0.30 1.85 0.00 0.00 0.00 173.10 175.81 2k1w s GLU 65 N -3.19 3.18 -0.09 2.90 2.12 -1.26 -3.80 118.70 118.57 2k1w s GLU 65 Ca 0.05 -0.84 -0.12 0.00 0.36 0.00 0.00 54.97 54.42 2k1w s GLU 65 Cb -0.01 -3.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2k1w s GLU 65 CO -0.08 -0.65 0.29 -0.47 -0.54 0.00 0.00 175.26 173.81 2k1w s TYR 66 N 1.75 3.60 -0.42 5.30 5.04 0.87 -4.94 117.35 128.55 2k1w s TYR 66 Ca 0.06 0.72 0.08 0.00 -2.44 0.00 0.00 57.07 55.49 2k1w s TYR 66 Cb -0.18 -2.21 0.35 0.00 0.35 0.00 0.00 41.96 40.28 2k1w s TYR 66 CO 0.11 0.53 1.26 0.45 -1.34 0.00 0.00 175.55 176.55 2k1w n SER 67 N 2.47 -2.07 -4.63 4.32 2.88 -1.25 -1.11 113.62 114.22 2k1w n SER 67 Ca -0.15 -2.96 -0.26 0.00 -1.33 0.00 0.00 58.87 54.17 2k1w n SER 67 Cb 0.53 1.40 0.11 0.00 -0.75 0.00 0.00 64.21 65.51 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 -1.20 4.19 0.00 -3.46 0.01 -1.26 -4.93 113.70 107.05 2k1w s SER 68 Ca 0.22 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2k1w s SER 68 Cb 0.35 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.99 2k1w s SER 68 CO -0.07 -2.00 0.65 0.55 0.41 0.00 0.00 173.24 172.77 2k1w n VAL 69 N -3.15 0.00 -1.74 3.43 3.14 -1.26 -4.07 118.33 114.68 2k1w n VAL 69 Ca 0.12 -0.02 -0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2k1w n VAL 69 Cb 0.60 0.16 -0.00 0.00 -1.06 0.00 0.00 33.84 33.54 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 0.01 0.01 -0.56 1.45 0.28 -1.26 -4.93 120.64 115.64 2k1w n GLU 70 Ca -0.06 -0.03 -0.01 0.00 -0.16 0.00 0.00 57.16 56.90 2k1w n GLU 70 Cb 0.57 0.39 -0.01 0.00 1.43 0.00 0.00 31.44 33.82 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 -0.01 -0.09 -0.56 -1.84 2.88 -1.26 -4.91 113.62 107.84 2k1w n SER 71 Ca -0.01 -1.22 0.01 0.00 -1.33 0.00 0.00 58.87 56.32 2k1w n SER 71 Cb 0.32 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.01 2.06 -2.03 -1.46 0.00 -1.26 -5.09 120.51 112.73 2k1w n ALA 72 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2k1w n ALA 72 Cb 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.07 -5.28 2.67 0.00 0.00 -1.26 -4.94 105.19 96.31 2k1w n GLY 73 Ca 0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 1.55 3.05 -0.06 -0.61 5.41 -1.26 -4.86 119.36 122.58 2k1w n ILE 74 Ca 0.00 -5.45 -0.04 0.00 1.00 0.00 0.00 62.75 58.25 2k1w n ILE 74 Cb 0.00 -1.81 -0.01 0.00 -0.71 0.00 0.00 39.64 37.11 2k1w n ILE 74 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2k1w n PRO 75 N 0.42 0.39 -3.23 0.38 -0.02 -1.26 -4.86 135.00 126.83 2k1w n PRO 75 Ca 0.31 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2k1w n PRO 75 Cb 0.39 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 2k1w n PRO 75 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2k1w s ASP 76 N -5.44 -0.06 -0.26 2.55 2.15 -1.26 -4.67 116.67 109.68 2k1w s ASP 76 Ca -0.13 0.09 -0.29 0.00 0.43 0.00 0.00 52.55 52.64 2k1w s ASP 76 Cb 0.02 1.07 -0.01 0.00 -0.30 0.00 0.00 42.92 43.70 2k1w s ASP 76 CO 0.20 -0.01 1.35 0.21 -0.17 0.00 0.00 175.17 176.74 2k1w s ASN 77 N 1.95 6.68 -0.25 -0.34 2.47 -1.26 -4.51 114.94 119.67 2k1w s ASN 77 Ca -0.00 1.39 -0.20 0.00 0.42 0.00 0.00 52.86 54.47 2k1w s ASN 77 Cb -0.01 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.32 2k1w s ASN 77 CO -0.15 -1.04 0.66 -0.55 -3.72 0.00 0.00 177.10 172.29 2k1w s SER 78 N 2.88 -0.77 -1.45 -4.21 0.15 -1.25 -3.82 113.70 105.22 2k1w s SER 78 Ca 0.59 1.37 -0.12 0.00 0.70 0.00 0.00 55.95 58.48 2k1w s SER 78 Cb -0.19 1.33 0.09 0.00 -1.71 0.00 0.00 66.02 65.53 2k1w s SER 78 CO 0.23 -0.23 0.69 -0.38 1.20 0.00 0.00 173.24 174.75 2k1w n ILE 79 N 3.36 -1.33 -2.86 6.45 5.41 -1.26 -3.68 119.36 125.46 2k1w n ILE 79 Ca -0.17 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.18 2k1w n ILE 79 Cb 0.57 -2.16 -0.05 0.00 -0.71 0.00 0.00 39.64 37.29 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 -2.99 7.36 0.02 4.38 0.01 -1.26 -1.89 113.70 119.33 2k1w s SER 80 Ca 0.54 1.63 -0.03 0.00 1.31 0.00 0.00 55.95 59.39 2k1w s SER 80 Cb -0.28 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 2k1w s SER 80 CO 0.66 -0.02 0.04 -0.44 0.41 0.00 0.00 173.24 173.89 2k1w s SER 81 N -0.06 0.19 -0.19 2.44 0.01 -0.23 -4.21 113.70 111.65 2k1w s SER 81 Ca 0.43 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.07 2k1w s SER 81 Cb -0.22 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.22 2k1w s SER 81 CO 0.26 -0.37 0.50 0.72 0.41 0.00 0.00 173.24 174.76 2k1w s PHE 82 N -1.79 -0.59 0.05 2.43 -0.71 -1.26 -2.43 117.98 113.69 2k1w s PHE 82 Ca -0.12 1.38 0.08 0.00 -1.04 0.00 0.00 56.93 57.23 2k1w s PHE 82 Cb -0.07 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 2k1w s PHE 82 CO -0.01 -0.29 -0.22 -0.98 -1.34 0.00 0.00 175.22 172.38 2k1w s ARG 83 N 0.50 1.90 -0.09 1.99 3.03 -0.99 -4.44 118.95 120.86 2k1w s ARG 83 Ca -0.02 -1.07 -0.02 0.00 2.03 0.00 0.00 55.73 56.65 2k1w s ARG 83 Cb -0.04 -2.09 -0.03 0.00 -1.03 0.00 0.00 34.95 31.76 2k1w s ARG 83 CO -0.02 0.52 -0.01 -0.65 -1.13 0.00 0.00 175.30 174.01 2k1w s GLN 84 N -1.45 3.05 0.00 3.89 1.11 -1.26 -1.31 119.66 123.68 2k1w s GLN 84 Ca 0.14 -0.43 0.12 0.00 0.01 0.00 0.00 55.36 55.19 2k1w s GLN 84 Cb -0.10 -2.79 0.09 0.00 -1.01 0.00 0.00 33.01 29.20 2k1w s GLN 84 CO 0.04 0.64 0.87 -0.89 0.01 0.00 0.00 175.29 175.96