#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 3.77 -1.02 3.17 0.01 -1.26 -5.06 114.94 114.55 2k1w s ASN 2 Ca 0.00 -1.29 -0.05 0.00 -0.71 0.00 0.00 52.86 50.80 2k1w s ASN 2 Cb 0.00 -1.02 0.25 0.00 0.41 0.00 0.00 41.25 40.90 2k1w s ASN 2 CO 0.00 -0.31 0.97 0.00 -1.51 0.00 0.00 177.10 176.26 2k1w n ALA 3 N 4.76 4.05 -3.48 0.60 0.00 -1.26 -3.77 120.51 121.42 2k1w n ALA 3 Ca -0.08 -4.64 -0.08 0.00 0.00 0.00 0.00 53.44 48.64 2k1w n ALA 3 Cb 0.44 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.37 -0.81 -0.50 0.00 0.00 -1.26 -5.13 121.76 112.70 2k1w s ALA 4 Ca 0.30 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 2k1w s ALA 4 Cb -0.08 0.93 0.10 0.00 0.00 0.00 0.00 23.12 24.07 2k1w s ALA 4 CO -0.10 -0.91 0.43 -1.21 0.00 0.00 0.00 175.76 173.96 2k1w s GLU 5 N -3.94 2.91 -0.41 0.00 2.02 -1.26 -4.79 118.70 113.22 2k1w s GLU 5 Ca 0.15 -1.56 -0.02 0.00 0.02 0.00 0.00 54.97 53.56 2k1w s GLU 5 Cb -0.03 -4.16 0.11 0.00 0.10 0.00 0.00 34.13 30.15 2k1w s GLU 5 CO 0.05 -1.17 0.20 0.08 0.02 0.00 0.00 175.26 174.43 2k1w s VAL 6 N 1.58 3.14 -0.28 2.63 1.01 -1.19 -4.57 120.40 122.72 2k1w s VAL 6 Ca 0.04 -2.19 -0.04 0.00 0.00 0.00 0.00 61.98 59.78 2k1w s VAL 6 Cb -0.27 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2k1w s VAL 6 CO 0.04 -0.69 0.01 -0.51 0.00 0.00 0.00 175.10 173.95 2k1w s ILE 7 N 0.99 3.41 -0.03 2.22 2.07 -1.26 0.31 121.20 128.91 2k1w s ILE 7 Ca 0.09 -0.91 0.07 0.00 -1.41 0.00 0.00 60.65 58.49 2k1w s ILE 7 Cb -0.22 -2.77 -0.02 0.00 0.13 0.00 0.00 42.46 39.58 2k1w s ILE 7 CO -0.05 0.10 -0.24 0.68 -1.91 0.00 0.00 174.94 173.52 2k1w s VAL 8 N 1.40 1.93 -0.10 4.00 -7.23 0.05 -3.37 120.40 117.08 2k1w s VAL 8 Ca 0.01 -1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 2k1w s VAL 8 Cb -0.17 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2k1w s VAL 8 CO -0.01 0.54 0.25 -0.31 -0.31 0.00 0.00 175.10 175.26 2k1w s TYR 9 N -0.47 3.60 -0.32 2.82 1.51 0.87 -0.50 117.35 124.85 2k1w s TYR 9 Ca 0.06 0.66 0.04 0.00 -1.01 0.00 0.00 57.07 56.82 2k1w s TYR 9 Cb -0.10 -2.14 0.46 0.00 -0.11 0.00 0.00 41.96 40.07 2k1w s TYR 9 CO 0.00 0.58 1.57 -0.85 -1.11 0.00 0.00 175.55 175.74 2k1w n GLU 10 N 2.36 2.06 -1.68 -0.62 0.28 -1.20 -3.55 120.64 118.30 2k1w n GLU 10 Ca -0.16 -2.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.83 2k1w n GLU 10 Cb 0.53 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.59 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2k1w n HIS 11 N -0.46 -0.25 -0.41 -1.84 -0.00 -1.26 -4.86 115.22 106.15 2k1w n HIS 11 Ca 0.37 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.26 2k1w n HIS 11 Cb 1.23 0.00 0.28 0.00 -0.12 0.00 0.00 29.99 31.37 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 -2.26 1.60 -0.19 3.57 0.11 0.37 -2.24 120.40 121.36 2k1w s VAL 12 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2k1w s VAL 12 Cb 0.00 -2.03 0.13 0.00 -1.53 0.00 0.00 36.38 32.95 2k1w s VAL 12 CO 0.00 0.00 1.99 -3.20 -3.33 0.00 0.00 175.10 170.56 2k1w n ASN 13 N -5.36 5.95 0.00 3.54 5.15 -1.26 -3.61 115.26 119.66 2k1w n ASN 13 Ca 0.07 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 2k1w n ASN 13 Cb 0.57 -1.07 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 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 -2.26 1.20 1.16 -1.26 -5.02 117.46 112.04 2k1w n PHE 14 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.76 2k1w n PHE 14 Cb 0.56 0.00 0.02 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 -0.29 3.77 4.97 0.00 -1.24 -5.16 105.19 107.23 2k1w n GLY 15 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.25 -0.20 0.21 -0.02 0.00 -1.26 -4.51 107.32 101.29 2k1w s GLY 16 Ca 0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 44.72 44.47 2k1w s GLY 16 CO -0.02 -0.03 0.61 -1.59 0.00 0.00 0.00 173.10 172.07 2k1w s LYS 17 N -3.85 3.99 -0.39 2.90 0.00 -1.26 -4.94 119.74 116.18 2k1w s LYS 17 Ca 0.09 0.53 -0.22 0.00 0.00 0.00 0.00 55.97 56.38 2k1w s LYS 17 Cb -0.05 -2.77 0.01 0.00 0.00 0.00 0.00 37.83 35.03 2k1w s LYS 17 CO 0.03 0.37 0.72 -1.54 0.00 0.00 0.00 175.35 174.92 2k1w s SER 18 N -1.96 6.44 -0.65 0.03 1.04 -1.26 -3.21 113.70 114.13 2k1w s SER 18 Ca 0.44 0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.73 2k1w s SER 18 Cb -0.14 -2.36 0.08 0.00 0.10 0.00 0.00 66.02 63.71 2k1w s SER 18 CO 0.20 -0.74 0.90 0.12 0.98 0.00 0.00 173.24 174.69 2k1w s PHE 19 N 2.99 2.78 -0.82 5.02 2.19 0.34 -4.95 117.98 125.53 2k1w s PHE 19 Ca 0.28 -0.70 -0.20 0.00 0.33 0.00 0.00 56.93 56.64 2k1w s PHE 19 Cb -0.13 -4.22 0.11 0.00 -1.31 0.00 0.00 43.02 37.47 2k1w s PHE 19 CO 0.18 -1.55 1.04 0.16 1.83 0.00 0.00 175.22 176.88 2k1w s ASP 20 N 3.67 6.47 0.07 6.13 -4.77 -1.26 -0.77 116.67 126.20 2k1w s ASP 20 Ca 0.20 -1.72 -0.30 0.00 -3.30 0.00 0.00 52.55 47.42 2k1w s ASP 20 Cb -0.18 -2.39 -0.05 0.00 -1.09 0.00 0.00 42.92 39.21 2k1w s ASP 20 CO 0.08 -1.16 0.99 0.00 0.70 0.00 0.00 175.17 175.78 2k1w s ALA 21 N 3.00 3.23 0.00 2.11 0.00 0.15 -4.91 121.76 125.33 2k1w s ALA 21 Ca 0.28 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2k1w s ALA 21 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2k1w s ALA 21 CO -0.03 -0.14 0.00 2.41 0.00 0.00 0.00 175.76 178.01 2k1w n THR 22 N 3.25 0.00 -1.07 0.00 -1.04 -1.26 -3.17 114.28 110.99 2k1w n THR 22 Ca 0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 2k1w n THR 22 Cb 0.50 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 2k1w n THR 22 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2k1w n SER 23 N -2.50 6.94 0.00 8.00 3.41 -1.25 -2.93 113.62 125.29 2k1w n SER 23 Ca 0.00 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 2k1w n SER 23 Cb 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 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 3.96 0.00 -4.96 4.04 8.00 -1.26 -5.01 116.55 121.32 2k1w n ASP 24 Ca 0.63 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.92 2k1w n ASP 24 Cb 0.19 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.88 3.30 0.00 -1.24 1.11 -1.15 -5.12 119.66 115.68 2k1w s GLN 25 Ca 0.00 -0.66 0.00 0.00 0.01 0.00 0.00 55.36 54.71 2k1w s GLN 25 Cb 0.00 -2.75 0.00 0.00 -1.01 0.00 0.00 33.01 29.25 2k1w s GLN 25 CO 0.00 0.13 0.00 -0.35 0.01 0.00 0.00 175.29 175.08 2k1w n PRO 26 N -1.70 0.24 0.00 2.91 -0.04 -1.26 -4.25 135.00 130.90 2k1w n PRO 26 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2k1w n PRO 26 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 5.00 1.33 3.11 0.55 0.00 -1.26 -4.61 105.19 109.31 2k1w n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.71 -0.53 -0.25 4.61 0.00 -1.26 -4.76 121.76 115.85 2k1w s ALA 28 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2k1w s ALA 28 Cb 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.97 2k1w s ALA 28 CO 0.00 -0.13 0.26 0.20 0.00 0.00 0.00 175.76 176.09 2k1w s GLY 29 N -0.19 -0.05 -0.28 0.00 0.00 -1.26 -4.66 107.32 100.89 2k1w s GLY 29 Ca -0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.42 2k1w s GLY 29 CO 0.01 2.40 0.78 0.51 0.00 0.00 0.00 173.10 176.80 2k1w s ASP 30 N 2.34 -0.77 0.13 1.64 -4.77 -1.26 -5.16 116.67 108.82 2k1w s ASP 30 Ca 0.09 1.32 -0.17 0.00 -3.30 0.00 0.00 52.55 50.48 2k1w s ASP 30 Cb -0.15 1.32 -0.07 0.00 -1.09 0.00 0.00 42.92 42.94 2k1w s ASP 30 CO -0.24 -0.22 0.58 0.20 0.70 0.00 0.00 175.17 176.20 2k1w s ASN 31 N 1.06 6.96 -0.00 2.11 0.02 -1.25 -4.51 114.94 119.33 2k1w s ASN 31 Ca -0.05 1.21 -0.08 0.00 -1.02 0.00 0.00 52.86 52.91 2k1w s ASN 31 Cb -0.05 -2.34 0.03 0.00 0.02 0.00 0.00 41.25 38.91 2k1w s ASN 31 CO -0.12 0.16 0.37 -0.11 0.02 0.00 0.00 177.10 177.43 2k1w n LEU 32 N 1.17 0.00 -1.51 0.60 0.00 -1.06 -4.95 117.00 111.25 2k1w n LEU 32 Ca -0.07 -0.14 0.06 0.00 0.00 0.00 0.00 56.01 55.86 2k1w n LEU 32 Cb 0.51 0.56 0.30 0.00 0.00 0.00 0.00 43.42 44.80 2k1w n LEU 32 CO 0.42 -0.05 0.72 0.59 0.00 0.00 0.00 177.39 179.07 2k1w n ASN 33 N -0.45 4.45 -2.92 1.96 3.02 -1.26 0.34 115.26 120.39 2k1w n ASN 33 Ca 0.01 -2.64 -0.12 0.00 -0.03 0.00 0.00 54.58 51.80 2k1w n ASN 33 Cb 0.17 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 38.77 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k1w n ASP 34 N 0.53 -5.83 -4.64 6.41 8.00 -1.26 -3.64 116.55 116.11 2k1w n ASP 34 Ca 0.21 -0.56 -0.26 0.00 0.71 0.00 0.00 54.79 54.88 2k1w n ASP 34 Cb 0.93 -4.36 0.11 0.00 -0.02 0.00 0.00 41.12 37.78 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 -4.10 1.63 -0.13 -1.24 3.01 -1.26 -4.54 119.74 113.12 2k1w s LYS 35 Ca 0.36 -0.51 -0.38 0.00 -1.01 0.00 0.00 55.97 54.44 2k1w s LYS 35 Cb -0.05 -2.12 -0.15 0.00 -1.01 0.00 0.00 37.83 34.50 2k1w s LYS 35 CO 0.60 -1.62 1.64 1.51 0.51 0.00 0.00 175.35 177.99 2k1w n ILE 36 N -3.14 0.24 -4.36 2.17 3.06 -1.26 -4.85 119.36 111.21 2k1w n ILE 36 Ca 0.12 -0.04 -0.24 0.00 -2.50 0.00 0.00 62.75 60.09 2k1w n ILE 36 Cb 0.60 -1.21 -0.08 0.00 0.54 0.00 0.00 39.64 39.49 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 2.60 4.15 -0.30 9.51 0.15 -1.26 -0.48 113.70 128.07 2k1w s SER 37 Ca 0.93 -0.82 0.03 0.00 0.70 0.00 0.00 55.95 56.79 2k1w s SER 37 Cb -0.97 -0.61 0.08 0.00 -1.71 0.00 0.00 66.02 62.82 2k1w s SER 37 CO 0.57 -0.01 -0.02 -0.55 1.20 0.00 0.00 173.24 174.43 2k1w s SER 38 N -3.62 4.61 -0.36 5.45 0.15 -0.95 -3.89 113.70 115.09 2k1w s SER 38 Ca 0.31 -1.81 -0.04 0.00 0.70 0.00 0.00 55.95 55.11 2k1w s SER 38 Cb -0.05 -1.58 0.07 0.00 -1.71 0.00 0.00 66.02 62.75 2k1w s SER 38 CO 0.18 -0.30 0.12 -0.63 1.20 0.00 0.00 173.24 173.81 2k1w s ILE 39 N 1.00 3.40 -0.33 6.45 1.09 -0.41 -0.09 121.20 132.32 2k1w s ILE 39 Ca 0.02 -1.56 0.03 0.00 -1.10 0.00 0.00 60.65 58.05 2k1w s ILE 39 Cb -0.19 -3.09 0.09 0.00 -1.06 0.00 0.00 42.46 38.21 2k1w s ILE 39 CO -0.07 -0.37 0.03 -0.75 -0.10 0.00 0.00 174.94 173.69 2k1w s LYS 40 N 1.27 1.51 -0.04 2.79 2.20 -1.22 -0.16 119.74 126.09 2k1w s LYS 40 Ca 0.01 -1.74 -0.15 0.00 -0.36 0.00 0.00 55.97 53.73 2k1w s LYS 40 Cb -0.21 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2k1w s LYS 40 CO -0.01 -0.90 0.34 0.08 -0.36 0.00 0.00 175.35 174.50 2k1w s VAL 41 N 0.99 0.04 -0.43 4.02 1.01 -1.25 -4.08 120.40 120.70 2k1w s VAL 41 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2k1w s VAL 41 Cb -0.19 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.72 2k1w s VAL 41 CO -0.09 -0.19 0.27 -0.54 0.00 0.00 0.00 175.10 174.54 2k1w s LYS 42 N -1.00 1.13 -0.30 2.72 3.01 -1.26 -2.48 119.74 121.56 2k1w s LYS 42 Ca -0.11 -1.95 -0.01 0.00 -1.01 0.00 0.00 55.97 52.89 2k1w s LYS 42 Cb -0.04 -2.03 0.19 0.00 -1.01 0.00 0.00 37.83 34.94 2k1w s LYS 42 CO 0.04 -1.22 0.79 -1.54 0.51 0.00 0.00 175.35 173.94 2k1w s SER 43 N 0.36 -1.09 0.83 2.83 1.04 -1.26 -4.96 113.70 111.46 2k1w s SER 43 Ca 0.20 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2k1w s SER 43 Cb -0.18 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.59 2k1w s SER 43 CO -0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2k1w n GLY 44 N 5.17 2.21 3.33 7.32 0.00 -1.26 -4.46 105.19 117.50 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 1.94 0.00 2.61 -4.23 -1.15 -3.60 115.64 111.21 2k1w s THR 45 Ca 0.00 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2k1w s THR 45 Cb 0.00 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 2k1w s THR 45 CO 0.00 -0.01 -0.08 0.26 -0.54 0.00 0.00 174.62 174.25 2k1w s TRP 46 N -1.15 0.72 -0.33 3.99 0.51 -0.90 -0.06 118.94 121.73 2k1w s TRP 46 Ca 0.10 -0.18 -0.15 0.00 -2.12 0.00 0.00 56.10 53.75 2k1w s TRP 46 Cb -0.10 -0.46 -0.02 0.00 -0.81 0.00 0.00 33.47 32.08 2k1w s TRP 46 CO 0.05 -0.01 0.35 1.03 -0.51 0.00 0.00 176.95 177.85 2k1w s ARG 47 N -0.37 3.66 -0.13 4.98 3.00 -1.02 -1.93 118.95 127.15 2k1w s ARG 47 Ca 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 55.73 55.35 2k1w s ARG 47 Cb -0.04 -3.77 -0.04 0.00 0.00 0.00 0.00 34.95 31.10 2k1w s ARG 47 CO -0.00 -0.46 0.08 -0.06 0.00 0.00 0.00 175.30 174.86 2k1w s PHE 48 N 2.00 3.37 -0.28 -0.53 0.08 0.12 -3.09 117.98 119.65 2k1w s PHE 48 Ca 0.12 0.31 -0.16 0.00 0.12 0.00 0.00 56.93 57.31 2k1w s PHE 48 Cb -0.16 -1.93 0.08 0.00 -0.57 0.00 0.00 43.02 40.44 2k1w s PHE 48 CO 0.11 0.50 0.70 1.52 -0.10 0.00 0.00 175.22 177.95 2k1w s TYR 49 N -0.61 -1.06 -1.20 0.36 -0.85 -1.07 -0.13 117.35 112.79 2k1w s TYR 49 Ca 0.11 2.12 -0.06 0.00 -0.52 0.00 0.00 57.07 58.73 2k1w s TYR 49 Cb -0.12 0.63 0.21 0.00 0.38 0.00 0.00 41.96 43.07 2k1w s TYR 49 CO 0.02 -0.52 1.89 0.39 -1.52 0.00 0.00 175.55 175.81 2k1w n GLU 50 N 4.30 4.34 -3.22 -3.49 4.71 -1.26 -1.25 120.64 124.78 2k1w n GLU 50 Ca -0.20 -3.94 0.00 0.00 -0.01 0.00 0.00 57.16 53.01 2k1w n GLU 50 Cb 0.59 -2.68 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 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 2.13 0.00 -1.19 -0.32 4.01 -0.77 -4.65 117.16 116.37 2k1w n TYR 51 Ca 0.43 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.83 2k1w n TYR 51 Cb 0.31 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.46 2k1w n TYR 51 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k1w s ILE 52 N -2.98 2.01 0.59 -0.72 2.07 -1.24 -4.43 121.20 116.49 2k1w s ILE 52 Ca 0.00 0.00 0.28 0.00 -1.41 0.00 0.00 60.65 59.53 2k1w s ILE 52 Cb 0.00 -2.49 0.35 0.00 0.13 0.00 0.00 42.46 40.46 2k1w s ILE 52 CO 0.00 -0.00 2.17 -1.13 -1.91 0.00 0.00 174.94 174.07 2k1w h ASN 53 N -0.73 0.00 -2.14 4.50 -1.24 -1.96 -2.87 115.58 111.14 2k1w h ASN 53 Ca -0.47 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 55.99 2k1w h ASN 53 Cb 1.30 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.94 2k1w h ASN 53 CO 0.47 0.00 -0.84 0.00 -1.29 0.00 0.00 177.43 175.77 2k1w n TYR 54 N -3.87 2.70 0.00 0.67 4.11 -1.26 -4.84 117.16 114.67 2k1w n TYR 54 Ca -0.00 -3.88 0.00 0.00 -0.00 0.00 0.00 57.90 54.01 2k1w n TYR 54 Cb 0.21 -0.45 0.00 0.00 -0.00 0.00 0.00 39.34 39.10 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 -0.08 -1.77 3.31 -7.48 0.00 -1.08 -5.19 105.19 92.91 2k1w n GLY 55 Ca 0.29 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.82 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 1.07 3.58 -0.02 0.00 -1.24 -3.68 105.19 104.89 2k1w n GLY 56 Ca 0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2k1w n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1w s ARG 57 N -2.08 3.45 -0.03 1.61 1.04 -1.26 -4.97 118.95 116.71 2k1w s ARG 57 Ca 0.14 0.27 -0.30 0.00 -1.04 0.00 0.00 55.73 54.81 2k1w s ARG 57 Cb -0.04 -4.05 -0.03 0.00 -2.04 0.00 0.00 34.95 28.79 2k1w s ARG 57 CO 0.10 -1.77 1.06 -0.47 -0.04 0.00 0.00 175.30 174.18 2k1w s TYR 58 N 5.27 3.51 -0.28 5.89 5.04 -1.26 -3.95 117.35 131.57 2k1w s TYR 58 Ca 0.45 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.63 2k1w s TYR 58 Cb -0.08 -3.23 0.17 0.00 0.35 0.00 0.00 41.96 39.16 2k1w s TYR 58 CO 0.25 -0.47 0.46 -0.46 -1.34 0.00 0.00 175.55 173.99 2k1w s TRP 59 N 1.47 -1.20 0.22 4.97 -0.00 0.82 -5.00 118.94 120.21 2k1w s TRP 59 Ca 0.53 0.71 0.05 0.00 -0.00 0.00 0.00 56.10 57.38 2k1w s TRP 59 Cb -0.22 0.04 -0.03 0.00 -0.00 0.00 0.00 33.47 33.26 2k1w s TRP 59 CO 0.25 -0.95 0.28 0.16 -0.00 0.00 0.00 176.95 176.69 2k1w s ASP 60 N 2.63 6.04 0.16 5.86 -4.77 -1.26 0.15 116.67 125.48 2k1w s ASP 60 Ca 0.11 -0.01 -0.23 0.00 -3.30 0.00 0.00 52.55 49.12 2k1w s ASP 60 Cb -0.13 -1.71 0.07 0.00 -1.09 0.00 0.00 42.92 40.06 2k1w s ASP 60 CO -0.26 -0.02 0.61 -1.48 0.70 0.00 0.00 175.17 174.71 2k1w s LEU 61 N -3.71 -0.56 0.00 2.11 0.05 -0.81 -4.94 118.68 110.81 2k1w s LEU 61 Ca 0.33 -0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.50 2k1w s LEU 61 Cb -0.09 2.59 0.00 0.00 -2.05 0.00 0.00 46.19 46.64 2k1w s LEU 61 CO 0.27 -0.97 0.00 0.61 -0.55 0.00 0.00 176.35 175.71 2k1w n GLY 62 N -0.38 1.49 3.54 -3.48 0.00 -1.26 -2.12 105.19 102.98 2k1w n GLY 62 Ca -0.17 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.41 0.84 -3.49 1.61 -0.02 -1.24 -4.86 135.00 127.43 2k1w n PRO 63 Ca 0.00 0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 2k1w n PRO 63 Cb 0.00 -2.99 -0.02 0.00 -0.02 0.00 0.00 33.50 30.47 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 11.31 -0.48 -0.37 -1.23 0.00 -1.04 -4.95 107.32 110.57 2k1w s GLY 64 Ca 1.07 0.95 -0.15 0.00 0.00 0.00 0.00 44.72 46.59 2k1w s GLY 64 CO 0.32 0.32 0.31 1.85 0.00 0.00 0.00 173.10 175.90 2k1w s GLU 65 N -3.19 3.31 -0.10 2.90 2.12 -1.26 -3.77 118.70 118.70 2k1w s GLU 65 Ca 0.05 -0.71 -0.13 0.00 0.36 0.00 0.00 54.97 54.54 2k1w s GLU 65 Cb -0.01 -3.88 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 2k1w s GLU 65 CO -0.09 -0.61 0.30 -0.47 -0.54 0.00 0.00 175.26 173.85 2k1w s TYR 66 N 1.84 3.57 -0.39 5.30 5.04 0.78 -4.94 117.35 128.55 2k1w s TYR 66 Ca 0.08 0.71 0.09 0.00 -2.44 0.00 0.00 57.07 55.51 2k1w s TYR 66 Cb -0.18 -2.25 0.38 0.00 0.35 0.00 0.00 41.96 40.27 2k1w s TYR 66 CO 0.11 0.46 1.37 -1.13 -1.34 0.00 0.00 175.55 175.03 2k1w n SER 67 N 2.72 -1.83 -4.63 4.32 3.41 -1.25 -1.29 113.62 115.07 2k1w n SER 67 Ca -0.14 -2.41 -0.26 0.00 -0.26 0.00 0.00 58.87 55.80 2k1w n SER 67 Cb 0.53 0.97 0.11 0.00 -0.26 0.00 0.00 64.21 65.56 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 -1.16 4.18 0.00 4.04 0.01 -1.26 -4.93 113.70 114.57 2k1w s SER 68 Ca 0.20 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2k1w s SER 68 Cb 0.40 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2k1w s SER 68 CO -0.09 -2.01 0.59 0.55 0.41 0.00 0.00 173.24 172.69 2k1w n VAL 69 N -3.16 0.00 -1.72 3.43 3.14 -1.26 -4.12 118.33 114.63 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 0.15 -0.00 0.00 -1.06 0.00 0.00 33.84 33.53 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 0.01 -0.49 1.45 0.28 -1.26 -4.93 120.64 115.70 2k1w n GLU 70 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2k1w n GLU 70 Cb 0.55 0.40 0.00 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 0.00 -0.61 -1.84 2.88 -1.26 -4.90 113.62 107.88 2k1w n SER 71 Ca -0.01 -1.26 0.01 0.00 -1.33 0.00 0.00 58.87 56.29 2k1w n SER 71 Cb 0.32 -0.05 0.02 0.00 -0.75 0.00 0.00 64.21 63.74 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 2.09 -1.73 -1.46 0.00 -1.26 -5.08 120.51 113.07 2k1w n ALA 72 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2k1w n ALA 72 Cb 0.55 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.04 -4.91 2.62 0.00 0.00 -1.26 -4.93 105.19 96.66 2k1w n GLY 73 Ca 0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 1.33 3.14 -0.05 -0.61 5.41 -1.26 -4.86 119.36 122.45 2k1w n ILE 74 Ca 0.00 -5.44 -0.04 0.00 1.00 0.00 0.00 62.75 58.27 2k1w n ILE 74 Cb 0.00 -1.94 -0.01 0.00 -0.71 0.00 0.00 39.64 36.98 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 0.66 0.34 -3.44 0.38 -0.02 -1.26 -4.87 135.00 126.79 2k1w n PRO 75 Ca 0.30 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2k1w n PRO 75 Cb 0.39 -1.43 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 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 -5.17 -0.14 -0.97 2.55 2.15 -1.24 -4.63 116.67 109.22 2k1w s ASP 76 Ca -0.11 0.21 -0.08 0.00 0.43 0.00 0.00 52.55 53.00 2k1w s ASP 76 Cb 0.02 1.11 -0.14 0.00 -0.30 0.00 0.00 42.92 43.61 2k1w s ASP 76 CO 0.17 -0.03 2.97 -3.20 -0.17 0.00 0.00 175.17 174.91 2k1w n ASN 77 N 3.88 6.86 -4.51 -0.34 5.15 0.15 -4.55 115.26 121.90 2k1w n ASN 77 Ca -0.12 -2.47 -0.31 0.00 -0.60 0.00 0.00 54.58 51.07 2k1w n ASN 77 Cb 0.56 -1.40 -0.12 0.00 -0.53 0.00 0.00 39.78 38.29 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 2.32 4.12 -1.13 1.20 0.15 -1.26 -2.56 113.70 116.53 2k1w s SER 78 Ca 0.62 -0.30 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 2k1w s SER 78 Cb 0.21 -0.81 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 2k1w s SER 78 CO -0.04 0.28 0.22 -0.38 1.20 0.00 0.00 173.24 174.52 2k1w n ILE 79 N 1.65 -0.81 -2.94 6.45 5.41 -1.26 -3.60 119.36 124.26 2k1w n ILE 79 Ca -0.16 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.26 2k1w n ILE 79 Cb 0.52 -1.84 -0.07 0.00 -0.71 0.00 0.00 39.64 37.55 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 -2.32 6.86 -0.04 4.38 0.01 -1.26 -1.84 113.70 119.49 2k1w s SER 80 Ca 0.16 1.52 -0.30 0.00 1.31 0.00 0.00 55.95 58.64 2k1w s SER 80 Cb -0.08 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.75 2k1w s SER 80 CO 0.20 -0.30 0.69 -0.55 0.41 0.00 0.00 173.24 173.69 2k1w s SER 81 N -2.24 -0.64 -0.13 2.44 0.15 -0.38 -4.77 113.70 108.12 2k1w s SER 81 Ca 0.59 0.65 -0.10 0.00 0.70 0.00 0.00 55.95 57.78 2k1w s SER 81 Cb -0.09 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2k1w s SER 81 CO 0.15 -0.63 0.34 0.72 1.20 0.00 0.00 173.24 175.03 2k1w s PHE 82 N -1.40 -0.42 -0.12 3.44 -0.71 -1.26 -2.60 117.98 114.91 2k1w s PHE 82 Ca -0.10 0.98 0.03 0.00 -1.04 0.00 0.00 56.93 56.80 2k1w s PHE 82 Cb -0.00 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 2k1w s PHE 82 CO 0.08 -0.23 -0.22 1.03 -1.34 0.00 0.00 175.22 174.54 2k1w s ARG 83 N 0.63 3.08 -0.06 1.99 1.81 -1.18 -4.72 118.95 120.50 2k1w s ARG 83 Ca -0.04 -0.84 -0.19 0.00 -1.72 0.00 0.00 55.73 52.94 2k1w s ARG 83 Cb -0.05 -2.41 -0.05 0.00 -0.45 0.00 0.00 34.95 32.00 2k1w s ARG 83 CO -0.04 0.09 0.52 -0.65 -0.68 0.00 0.00 175.30 174.54 2k1w s GLN 84 N 0.57 4.29 0.00 3.54 1.11 -1.26 -2.44 119.66 125.47 2k1w s GLN 84 Ca -0.13 0.57 0.20 0.00 0.01 0.00 0.00 55.36 56.00 2k1w s GLN 84 Cb -0.17 -3.38 0.15 0.00 -1.01 0.00 0.00 33.01 28.61 2k1w s GLN 84 CO 0.04 0.28 1.12 -0.89 0.01 0.00 0.00 175.29 175.85