#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1w n ASN 2 N 0.00 -0.69 -2.69 7.83 4.13 -1.26 -5.01 115.26 117.56 2k1w n ASN 2 Ca 0.00 -2.41 -0.07 0.00 1.68 0.00 0.00 54.58 53.78 2k1w n ASN 2 Cb 0.00 1.42 0.03 0.00 -1.54 0.00 0.00 39.78 39.70 2k1w n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k1w n ALA 3 N -1.43 3.27 -3.42 5.41 0.00 -1.26 -4.43 120.51 118.65 2k1w n ALA 3 Ca -0.09 -3.08 -0.09 0.00 0.00 0.00 0.00 53.44 50.19 2k1w n ALA 3 Cb 0.41 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.36 -0.85 -0.58 0.00 0.00 -1.26 -5.12 121.76 110.59 2k1w s ALA 4 Ca 0.28 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 2k1w s ALA 4 Cb 0.41 0.91 0.11 0.00 0.00 0.00 0.00 23.12 24.55 2k1w s ALA 4 CO 0.01 -0.88 0.66 -1.21 0.00 0.00 0.00 175.76 174.34 2k1w s GLU 5 N -3.92 3.04 -0.06 0.00 2.02 -1.26 -4.63 118.70 113.89 2k1w s GLU 5 Ca 0.13 -1.43 0.02 0.00 0.02 0.00 0.00 54.97 53.71 2k1w s GLU 5 Cb -0.02 -4.28 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 2k1w s GLU 5 CO 0.03 -1.49 -0.09 0.08 0.02 0.00 0.00 175.26 173.80 2k1w s VAL 6 N 2.41 3.48 -0.22 2.63 1.01 -1.19 -4.50 120.40 124.02 2k1w s VAL 6 Ca 0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2k1w s VAL 6 Cb -0.25 -2.41 0.11 0.00 0.00 0.00 0.00 36.38 33.83 2k1w s VAL 6 CO 0.05 0.58 0.42 -0.51 0.00 0.00 0.00 175.10 175.65 2k1w s ILE 7 N -0.80 -0.67 0.15 2.22 2.07 -1.26 -0.02 121.20 122.90 2k1w s ILE 7 Ca 0.12 0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.47 2k1w s ILE 7 Cb -0.11 -0.75 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 2k1w s ILE 7 CO 0.02 -0.01 -0.09 0.68 -1.91 0.00 0.00 174.94 173.62 2k1w s VAL 8 N 2.62 1.13 -0.00 4.00 -7.23 0.64 -3.35 120.40 118.21 2k1w s VAL 8 Ca 0.05 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2k1w s VAL 8 Cb -0.13 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 2k1w s VAL 8 CO -0.15 -0.73 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.39 2k1w s TYR 9 N -3.35 2.49 -0.32 2.82 1.51 0.43 -0.02 117.35 120.91 2k1w s TYR 9 Ca 0.17 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 2k1w s TYR 9 Cb 0.03 -1.51 0.46 0.00 -0.11 0.00 0.00 41.96 40.83 2k1w s TYR 9 CO 0.01 0.12 1.59 0.39 -1.11 0.00 0.00 175.55 176.55 2k1w n GLU 10 N 2.07 2.05 -3.31 -0.62 -0.58 -1.25 -3.36 120.64 115.65 2k1w n GLU 10 Ca -0.16 -2.04 -0.00 0.00 -0.42 0.00 0.00 57.16 54.53 2k1w n GLU 10 Cb 0.52 -1.82 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.50 -0.73 -0.65 -0.32 -0.00 -1.26 -4.86 115.22 106.91 2k1w n HIS 11 Ca 0.38 -0.72 -0.29 0.00 0.46 0.00 0.00 57.72 57.55 2k1w n HIS 11 Cb 1.25 0.34 0.23 0.00 -0.12 0.00 0.00 29.99 31.70 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 -2.13 2.06 -0.14 3.57 0.11 0.99 -1.83 120.40 123.04 2k1w s VAL 12 Ca 0.19 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2k1w s VAL 12 Cb -0.01 -2.13 0.10 0.00 -1.53 0.00 0.00 36.38 32.80 2k1w s VAL 12 CO 0.02 -0.02 1.93 -3.20 -3.33 0.00 0.00 175.10 170.50 2k1w n ASN 13 N -4.74 5.60 -0.75 3.54 4.05 -1.26 -3.35 115.26 118.35 2k1w n ASN 13 Ca 0.04 -2.67 -0.01 0.00 0.45 0.00 0.00 54.58 52.40 2k1w n ASN 13 Cb 0.54 -1.05 -0.01 0.00 1.23 0.00 0.00 39.78 40.49 2k1w n ASN 13 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2k1w n PHE 14 N 0.92 0.00 0.00 1.20 3.72 -1.26 -5.01 117.46 117.02 2k1w n PHE 14 Ca 0.13 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 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 0.08 -1.60 3.71 1.37 0.00 -1.21 -5.19 105.19 102.34 2k1w n GLY 15 Ca -0.05 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 0.18 -0.02 0.00 -1.26 -4.51 107.32 101.44 2k1w s GLY 16 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.57 2k1w s GLY 16 CO 0.00 0.00 0.58 -1.59 0.00 0.00 0.00 173.10 172.10 2k1w s LYS 17 N -3.81 3.99 -0.56 2.90 0.00 -1.26 -4.98 119.74 116.01 2k1w s LYS 17 Ca 0.08 0.52 -0.22 0.00 0.00 0.00 0.00 55.97 56.35 2k1w s LYS 17 Cb -0.04 -2.86 0.06 0.00 0.00 0.00 0.00 37.83 34.99 2k1w s LYS 17 CO 0.00 0.43 0.83 -1.54 0.00 0.00 0.00 175.35 175.07 2k1w s SER 18 N -1.83 6.25 -0.65 0.03 1.04 -1.26 -3.78 113.70 113.50 2k1w s SER 18 Ca 0.41 -0.75 -0.21 0.00 0.48 0.00 0.00 55.95 55.87 2k1w s SER 18 Cb -0.14 -2.38 0.08 0.00 0.10 0.00 0.00 66.02 63.68 2k1w s SER 18 CO 0.20 -1.16 0.90 0.12 0.98 0.00 0.00 173.24 174.28 2k1w s PHE 19 N 3.46 2.78 -0.38 5.02 2.19 0.97 -4.94 117.98 127.09 2k1w s PHE 19 Ca 0.22 -0.70 -0.15 0.00 0.33 0.00 0.00 56.93 56.62 2k1w s PHE 19 Cb -0.16 -4.22 0.00 0.00 -1.31 0.00 0.00 43.02 37.33 2k1w s PHE 19 CO 0.14 -1.55 0.36 0.16 1.83 0.00 0.00 175.22 176.16 2k1w s ASP 20 N 3.67 6.15 -0.81 6.13 -4.77 -1.26 -0.26 116.67 125.53 2k1w s ASP 20 Ca 0.20 -0.50 -0.21 0.00 -3.30 0.00 0.00 52.55 48.73 2k1w s ASP 20 Cb -0.18 -2.19 0.09 0.00 -1.09 0.00 0.00 42.92 39.55 2k1w s ASP 20 CO 0.08 -0.41 1.10 0.00 0.70 0.00 0.00 175.17 176.64 2k1w s ALA 21 N 1.95 3.14 0.03 2.11 0.00 0.98 -4.87 121.76 125.11 2k1w s ALA 21 Ca 0.10 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.85 2k1w s ALA 21 Cb -0.17 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2k1w s ALA 21 CO 0.12 -2.98 0.00 2.41 0.00 0.00 0.00 175.76 175.31 2k1w n THR 22 N 5.90 0.00 -1.65 0.00 -1.04 -1.26 -3.16 114.28 113.07 2k1w n THR 22 Ca 0.11 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 2k1w n THR 22 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 2k1w n THR 22 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k1w n SER 23 N -1.07 3.31 0.00 8.00 7.64 -1.26 -2.83 113.62 127.41 2k1w n SER 23 Ca -0.01 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.11 2k1w n SER 23 Cb 0.04 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 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 8.33 0.00 -4.88 6.43 2.03 -1.26 -4.97 116.55 122.23 2k1w n ASP 24 Ca 0.49 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.50 2k1w n ASP 24 Cb 0.42 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.85 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k1w s GLN 25 N -0.52 3.12 0.00 -0.67 1.11 -1.13 -4.82 119.66 116.75 2k1w s GLN 25 Ca 0.00 0.56 0.27 0.00 0.01 0.00 0.00 55.36 56.20 2k1w s GLN 25 Cb 0.00 -2.04 1.55 0.00 -1.01 0.00 0.00 33.01 31.50 2k1w s GLN 25 CO 0.00 -0.87 1.94 -0.35 0.01 0.00 0.00 175.29 176.02 2k1w n PRO 26 N -2.91 0.74 0.00 2.91 -0.04 -1.26 -1.25 135.00 133.18 2k1w n PRO 26 Ca 0.07 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2k1w n PRO 26 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.74 1.69 3.50 0.55 0.00 -1.26 -4.65 105.19 105.76 2k1w n GLY 27 Ca 0.18 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.11 2.95 0.34 4.61 0.00 -1.25 -4.96 121.76 122.35 2k1w s ALA 28 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.27 2k1w s ALA 28 Cb 0.00 -4.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.02 2k1w s ALA 28 CO 0.00 -3.07 0.48 0.20 0.00 0.00 0.00 175.76 173.37 2k1w s GLY 29 N 3.81 1.58 -0.61 0.00 0.00 -1.26 -4.83 107.32 106.02 2k1w s GLY 29 Ca 0.30 -1.42 -0.26 0.00 0.00 0.00 0.00 44.72 43.34 2k1w s GLY 29 CO 0.09 -1.34 1.08 0.99 0.00 0.00 0.00 173.10 173.92 2k1w s ASP 30 N -4.17 6.32 0.11 1.64 1.01 -1.26 -4.47 116.67 115.85 2k1w s ASP 30 Ca 0.45 -0.32 -0.12 0.00 0.71 0.00 0.00 52.55 53.27 2k1w s ASP 30 Cb -0.10 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2k1w s ASP 30 CO 0.31 -1.44 0.29 0.20 0.21 0.00 0.00 175.17 174.74 2k1w s ASN 31 N 3.15 -0.04 0.48 0.27 0.01 -1.20 -4.93 114.94 112.68 2k1w s ASN 31 Ca 0.34 -0.51 -0.23 0.00 -0.71 0.00 0.00 52.86 51.75 2k1w s ASN 31 Cb -0.11 0.40 -0.07 0.00 0.41 0.00 0.00 41.25 41.89 2k1w s ASN 31 CO 0.19 -0.79 1.23 -1.48 -1.51 0.00 0.00 177.10 174.74 2k1w s LEU 32 N -2.84 3.97 -0.40 0.60 0.05 -1.26 -2.74 118.68 116.07 2k1w s LEU 32 Ca 0.04 2.45 0.08 0.00 0.05 0.00 0.00 54.13 56.76 2k1w s LEU 32 Cb 0.03 -4.24 0.36 0.00 -2.05 0.00 0.00 46.19 40.29 2k1w s LEU 32 CO -0.11 -1.11 1.32 -3.20 -0.55 0.00 0.00 176.35 172.70 2k1w n ASN 33 N -0.63 -1.87 -2.79 1.48 2.85 -1.26 -4.86 115.26 108.18 2k1w n ASN 33 Ca 0.08 -2.47 -0.02 0.00 -0.11 0.00 0.00 54.58 52.07 2k1w n ASN 33 Cb 0.47 1.07 0.05 0.00 1.24 0.00 0.00 39.78 42.62 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 -0.53 1.24 -3.12 1.20 9.92 -1.26 -4.85 116.55 119.15 2k1w n ASP 34 Ca -0.04 -2.16 -0.13 0.00 -0.53 0.00 0.00 54.79 51.93 2k1w n ASP 34 Cb 0.82 -0.37 -0.04 0.00 -0.64 0.00 0.00 41.12 40.90 2k1w n ASP 34 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2k1w s LYS 35 N -3.30 0.90 -0.27 -1.24 2.47 -1.26 -3.86 119.74 113.18 2k1w s LYS 35 Ca 0.25 -1.23 -0.24 0.00 -1.56 0.00 0.00 55.97 53.19 2k1w s LYS 35 Cb 0.36 -0.57 0.04 0.00 -1.46 0.00 0.00 37.83 36.20 2k1w s LYS 35 CO -0.03 -1.30 0.41 1.51 0.16 0.00 0.00 175.35 176.09 2k1w n ILE 36 N 3.36 -2.65 -4.23 5.43 3.06 -1.26 -4.32 119.36 118.75 2k1w n ILE 36 Ca 0.19 0.12 -0.23 0.00 -2.50 0.00 0.00 62.75 60.34 2k1w n ILE 36 Cb 0.51 -2.61 -0.06 0.00 0.54 0.00 0.00 39.64 38.02 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 -1.04 4.80 -0.14 9.51 0.01 -1.26 -0.01 113.70 125.58 2k1w s SER 37 Ca 0.24 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 2k1w s SER 37 Cb -0.02 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 2k1w s SER 37 CO 0.53 -0.04 -0.12 -0.44 0.41 0.00 0.00 173.24 173.58 2k1w s SER 38 N -3.73 4.06 -0.23 2.44 0.01 -0.76 -4.44 113.70 111.04 2k1w s SER 38 Ca 0.32 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.27 2k1w s SER 38 Cb -0.06 -1.62 0.06 0.00 0.21 0.00 0.00 66.02 64.60 2k1w s SER 38 CO 0.21 0.16 -0.07 -0.63 0.41 0.00 0.00 173.24 173.32 2k1w s ILE 39 N 0.40 1.68 -0.34 1.44 1.09 -0.91 -0.43 121.20 124.14 2k1w s ILE 39 Ca -0.10 -1.27 0.01 0.00 -1.10 0.00 0.00 60.65 58.19 2k1w s ILE 39 Cb -0.16 -1.88 0.10 0.00 -1.06 0.00 0.00 42.46 39.46 2k1w s ILE 39 CO 0.05 -0.04 0.10 -0.75 -0.10 0.00 0.00 174.94 174.20 2k1w s LYS 40 N 1.33 1.11 0.04 2.79 2.20 -1.21 -1.55 119.74 124.45 2k1w s LYS 40 Ca -0.06 -1.53 -0.09 0.00 -0.36 0.00 0.00 55.97 53.92 2k1w s LYS 40 Cb -0.19 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2k1w s LYS 40 CO -0.06 -0.99 0.20 0.08 -0.36 0.00 0.00 175.35 174.21 2k1w s VAL 41 N 1.14 0.11 -0.34 4.02 1.01 -1.25 -4.02 120.40 121.07 2k1w s VAL 41 Ca 0.11 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2k1w s VAL 41 Cb -0.19 -0.93 0.14 0.00 0.00 0.00 0.00 36.38 35.40 2k1w s VAL 41 CO -0.15 -0.50 0.22 -0.54 0.00 0.00 0.00 175.10 174.13 2k1w s LYS 42 N -2.62 0.49 -0.30 2.72 1.02 -1.26 -1.51 119.74 118.28 2k1w s LYS 42 Ca -0.05 -1.11 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 2k1w s LYS 42 Cb -0.01 -1.18 0.19 0.00 -0.52 0.00 0.00 37.83 36.31 2k1w s LYS 42 CO -0.04 -1.17 0.79 -1.54 -0.92 0.00 0.00 175.35 172.47 2k1w s SER 43 N 1.32 -1.10 1.23 2.83 1.04 -1.26 -4.87 113.70 112.90 2k1w s SER 43 Ca 0.16 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2k1w s SER 43 Cb -0.21 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.57 2k1w s SER 43 CO -0.06 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2k1w n GLY 44 N 5.15 3.32 3.16 7.32 0.00 -1.24 -4.29 105.19 118.60 2k1w n GLY 44 Ca 0.07 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 0.99 0.05 2.61 -4.23 -1.15 -2.71 115.64 111.19 2k1w s THR 45 Ca 0.00 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 2k1w s THR 45 Cb 0.00 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 2k1w s THR 45 CO 0.00 -0.32 -0.11 0.26 -0.54 0.00 0.00 174.62 173.92 2k1w s TRP 46 N -1.52 0.90 -0.29 3.99 0.51 -0.92 -0.19 118.94 121.43 2k1w s TRP 46 Ca -0.02 -0.45 -0.09 0.00 -2.12 0.00 0.00 56.10 53.43 2k1w s TRP 46 Cb -0.09 -0.53 -0.01 0.00 -0.81 0.00 0.00 33.47 32.03 2k1w s TRP 46 CO 0.02 -0.02 0.13 1.03 -0.51 0.00 0.00 176.95 177.59 2k1w s ARG 47 N -1.50 3.43 -0.13 4.98 3.00 -0.62 -1.83 118.95 126.27 2k1w s ARG 47 Ca -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 55.73 54.98 2k1w s ARG 47 Cb -0.09 -3.49 -0.04 0.00 0.00 0.00 0.00 34.95 31.33 2k1w s ARG 47 CO 0.01 -0.35 0.04 -0.06 0.00 0.00 0.00 175.30 174.95 2k1w s PHE 48 N 1.61 3.25 -0.28 -0.53 0.08 0.12 -2.73 117.98 119.51 2k1w s PHE 48 Ca 0.05 0.16 -0.19 0.00 0.12 0.00 0.00 56.93 57.07 2k1w s PHE 48 Cb -0.16 -1.93 0.08 0.00 -0.57 0.00 0.00 43.02 40.43 2k1w s PHE 48 CO 0.05 0.35 0.70 1.52 -0.10 0.00 0.00 175.22 177.75 2k1w s TYR 49 N -0.34 -0.97 -0.89 0.36 -0.85 -1.07 -0.25 117.35 113.34 2k1w s TYR 49 Ca 0.08 2.06 -0.09 0.00 -0.52 0.00 0.00 57.07 58.60 2k1w s TYR 49 Cb -0.12 0.52 0.23 0.00 0.38 0.00 0.00 41.96 42.97 2k1w s TYR 49 CO 0.02 -0.48 0.82 -1.21 -1.52 0.00 0.00 175.55 173.18 2k1w s GLU 50 N 1.23 3.57 0.00 -3.49 8.01 -1.25 -1.62 118.70 125.14 2k1w s GLU 50 Ca -0.07 -2.83 0.00 0.00 0.01 0.00 0.00 54.97 52.08 2k1w s GLU 50 Cb -0.05 -4.28 0.00 0.00 -4.31 0.00 0.00 34.13 25.49 2k1w s GLU 50 CO -0.13 -1.25 0.00 0.66 0.01 0.00 0.00 175.26 174.54 2k1w n TYR 51 N 3.26 0.00 -0.46 1.61 4.01 -0.04 -4.46 117.16 121.07 2k1w n TYR 51 Ca 0.17 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.62 2k1w n TYR 51 Cb 0.42 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.72 2k1w n TYR 51 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2k1w s ILE 52 N -2.63 1.81 0.48 -0.72 -4.36 -1.25 -4.45 121.20 110.08 2k1w s ILE 52 Ca 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 60.65 60.66 2k1w s ILE 52 Cb 0.00 -2.04 0.31 0.00 1.25 0.00 0.00 42.46 41.98 2k1w s ILE 52 CO 0.00 0.00 2.14 -1.13 0.24 0.00 0.00 174.94 176.19 2k1w h ASN 53 N -2.91 0.00 -3.18 4.36 -0.73 -2.00 -3.36 115.58 107.76 2k1w h ASN 53 Ca -0.59 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 56.99 2k1w h ASN 53 Cb 1.34 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.53 2k1w h ASN 53 CO 0.45 0.08 -0.76 -0.72 -0.37 0.00 0.00 177.43 176.11 2k1w s TYR 54 N -4.41 1.60 0.00 0.67 -0.85 -1.26 -4.94 117.35 108.16 2k1w s TYR 54 Ca -0.04 -1.93 0.00 0.00 -0.52 0.00 0.00 57.07 54.58 2k1w s TYR 54 Cb 0.14 -1.63 0.00 0.00 0.38 0.00 0.00 41.96 40.85 2k1w s TYR 54 CO 0.58 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 174.19 2k1w n GLY 55 N 4.28 0.86 3.81 5.49 0.00 -1.26 -5.18 105.19 113.20 2k1w n GLY 55 Ca 0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 0.41 -0.64 -0.02 0.00 -1.26 -3.88 107.32 101.92 2k1w s GLY 56 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.67 2k1w s GLY 56 CO 0.00 -0.11 1.26 -1.60 0.00 0.00 0.00 173.10 172.65 2k1w s ARG 57 N -2.10 3.36 -0.07 2.90 3.00 -1.26 -4.97 118.95 119.82 2k1w s ARG 57 Ca 0.16 0.10 -0.30 0.00 -1.00 0.00 0.00 55.73 54.69 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 0.12 -1.90 1.05 -0.47 0.00 0.00 0.00 175.30 174.10 2k1w s TYR 58 N 5.42 3.48 -0.28 5.12 5.04 -1.26 -3.87 117.35 130.99 2k1w s TYR 58 Ca 0.41 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.58 2k1w s TYR 58 Cb -0.08 -3.23 0.16 0.00 0.35 0.00 0.00 41.96 39.16 2k1w s TYR 58 CO 0.21 -0.44 0.45 -0.46 -1.34 0.00 0.00 175.55 173.97 2k1w s TRP 59 N 1.81 -1.17 0.25 4.97 -0.00 0.66 -5.00 118.94 120.45 2k1w s TRP 59 Ca 0.51 0.74 0.06 0.00 -0.00 0.00 0.00 56.10 57.41 2k1w s TRP 59 Cb -0.21 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 33.28 2k1w s TRP 59 CO 0.21 -0.92 0.28 0.16 -0.00 0.00 0.00 176.95 176.68 2k1w s ASP 60 N 2.63 5.88 0.14 5.86 -4.77 -1.26 0.13 116.67 125.28 2k1w s ASP 60 Ca 0.12 -0.11 -0.19 0.00 -3.30 0.00 0.00 52.55 49.07 2k1w s ASP 60 Cb -0.13 -1.60 0.05 0.00 -1.09 0.00 0.00 42.92 40.15 2k1w s ASP 60 CO -0.25 -0.07 0.49 -1.48 0.70 0.00 0.00 175.17 174.56 2k1w s LEU 61 N -3.91 -0.01 0.00 2.11 2.34 -0.76 -4.95 118.68 113.50 2k1w s LEU 61 Ca 0.34 -0.20 0.00 0.00 0.06 0.00 0.00 54.13 54.33 2k1w s LEU 61 Cb -0.08 2.16 0.00 0.00 -0.56 0.00 0.00 46.19 47.71 2k1w s LEU 61 CO 0.27 -0.91 0.00 0.61 -1.06 0.00 0.00 176.35 175.26 2k1w n GLY 62 N -0.29 -0.83 3.55 -3.48 0.00 -1.26 -2.16 105.19 100.72 2k1w n GLY 62 Ca -0.16 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.05 3.14 0.01 1.61 0.04 -1.10 -4.78 135.00 132.87 2k1w s PRO 63 Ca 0.00 -0.12 -0.28 0.00 0.04 0.00 0.00 61.00 60.64 2k1w s PRO 63 Cb 0.00 -4.20 0.10 0.00 0.04 0.00 0.00 34.50 30.44 2k1w s PRO 63 CO 0.00 -2.19 0.86 0.20 0.04 0.00 0.00 177.00 175.91 2k1w s GLY 64 N 4.18 -0.48 0.04 0.56 0.00 -0.57 -4.85 107.32 106.21 2k1w s GLY 64 Ca 0.39 0.95 0.02 0.00 0.00 0.00 0.00 44.72 46.08 2k1w s GLY 64 CO 0.16 0.32 0.05 1.85 0.00 0.00 0.00 173.10 175.48 2k1w s GLU 65 N -3.18 2.87 0.15 2.90 -6.30 -1.26 -3.78 118.70 110.10 2k1w s GLU 65 Ca 0.05 -0.64 -0.23 0.00 -2.50 0.00 0.00 54.97 51.65 2k1w s GLU 65 Cb -0.01 -2.73 0.07 0.00 0.00 0.00 0.00 34.13 31.46 2k1w s GLU 65 CO -0.09 0.60 0.59 1.52 0.02 0.00 0.00 175.26 177.89 2k1w s TYR 66 N -1.26 -0.52 -0.46 5.30 1.13 -0.59 -4.99 117.35 115.94 2k1w s TYR 66 Ca 0.25 0.32 0.07 0.00 -1.41 0.00 0.00 57.07 56.29 2k1w s TYR 66 Cb -0.12 0.54 0.25 0.00 -1.10 0.00 0.00 41.96 41.53 2k1w s TYR 66 CO 0.17 -0.84 0.84 0.45 -2.51 0.00 0.00 175.55 173.66 2k1w n SER 67 N -0.34 -2.11 -3.17 -0.18 2.88 -1.26 -2.13 113.62 107.30 2k1w n SER 67 Ca -0.17 -3.22 -0.14 0.00 -1.33 0.00 0.00 58.87 54.01 2k1w n SER 67 Cb 0.65 1.27 0.09 0.00 -0.75 0.00 0.00 64.21 65.47 2k1w n SER 67 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k1w n SER 68 N 1.42 0.34 -0.50 -3.46 7.64 -1.26 -5.02 113.62 112.78 2k1w n SER 68 Ca 0.12 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2k1w n SER 68 Cb 0.62 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.65 0.00 -1.77 0.44 3.14 -1.26 -4.45 118.33 111.78 2k1w n VAL 69 Ca 0.09 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.44 2k1w n VAL 69 Cb 0.31 0.19 -0.03 0.00 -1.06 0.00 0.00 33.84 33.25 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 0.03 -0.72 1.45 0.28 -1.26 -4.92 120.64 115.49 2k1w n GLU 70 Ca 0.00 -0.47 -0.02 0.00 -0.16 0.00 0.00 57.16 56.51 2k1w n GLU 70 Cb 0.57 0.49 -0.02 0.00 1.43 0.00 0.00 31.44 33.91 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 -0.03 -0.23 -0.52 -1.84 2.88 -1.26 -4.90 113.62 107.72 2k1w n SER 71 Ca -0.13 -1.49 0.03 0.00 -1.33 0.00 0.00 58.87 55.95 2k1w n SER 71 Cb 0.47 0.04 0.05 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.04 2.21 -3.30 -1.46 0.00 -1.26 -5.05 120.51 111.69 2k1w n ALA 72 Ca -0.08 -1.74 -0.15 0.00 0.00 0.00 0.00 53.44 51.48 2k1w n ALA 72 Cb 0.63 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.38 -1.07 2.61 0.00 0.00 -1.26 -4.95 105.19 100.15 2k1w n GLY 73 Ca 0.06 0.77 -0.28 0.00 0.00 0.00 0.00 46.02 46.57 2k1w n GLY 73 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1w n ILE 74 N -1.50 2.82 -0.06 -0.61 -5.35 -1.26 -4.72 119.36 108.68 2k1w n ILE 74 Ca -0.08 -5.39 -0.04 0.00 -0.27 0.00 0.00 62.75 56.97 2k1w n ILE 74 Cb 0.58 -1.86 -0.02 0.00 -1.74 0.00 0.00 39.64 36.59 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 2k1w h PRO 75 N 3.85 0.00 -4.16 6.28 0.11 -1.93 -3.42 132.00 132.73 2k1w h PRO 75 Ca 0.19 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.96 2k1w h PRO 75 Cb 0.60 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.41 2k1w h PRO 75 CO 0.86 0.11 -0.75 0.34 -0.21 0.00 0.00 178.00 178.35 2k1w s ASP 76 N -5.72 0.60 -1.08 -2.05 -1.08 -1.26 -5.00 116.67 101.07 2k1w s ASP 76 Ca -0.08 -0.09 -0.22 0.00 -0.52 0.00 0.00 52.55 51.64 2k1w s ASP 76 Cb 0.01 -0.14 -0.02 0.00 -1.46 0.00 0.00 42.92 41.31 2k1w s ASP 76 CO 0.15 0.02 1.80 0.20 0.52 0.00 0.00 175.17 177.86 2k1w s ASN 77 N 0.20 5.72 0.00 -0.34 0.01 -1.26 -4.52 114.94 114.75 2k1w s ASN 77 Ca -0.02 -1.46 0.00 0.00 -0.71 0.00 0.00 52.86 50.67 2k1w s ASN 77 Cb -0.05 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2k1w s ASN 77 CO -0.00 -2.28 0.00 -1.20 -1.51 0.00 0.00 177.10 172.11 2k1w n SER 78 N 11.96 1.96 -4.59 -1.22 7.64 -1.26 -4.85 113.62 123.25 2k1w n SER 78 Ca 0.42 -0.75 -0.49 0.00 1.01 0.00 0.00 58.87 59.06 2k1w n SER 78 Cb 0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 2k1w n SER 78 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2k1w n ILE 79 N -0.02 0.66 -3.76 0.44 -5.35 -1.26 -4.14 119.36 105.94 2k1w n ILE 79 Ca 0.00 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 2k1w n ILE 79 Cb 0.00 -0.94 -0.12 0.00 -1.74 0.00 0.00 39.64 36.85 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2k1w s SER 80 N 0.18 -0.31 -0.00 7.28 0.01 -1.11 -0.86 113.70 118.88 2k1w s SER 80 Ca 0.75 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 58.57 2k1w s SER 80 Cb -0.84 0.57 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 2k1w s SER 80 CO 0.50 -0.12 0.08 -0.44 0.41 0.00 0.00 173.24 173.67 2k1w s SER 81 N 0.49 0.05 -0.17 2.44 0.01 -0.64 -3.24 113.70 112.64 2k1w s SER 81 Ca -0.03 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 2k1w s SER 81 Cb -0.04 0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.41 2k1w s SER 81 CO -0.03 -0.25 0.45 0.72 0.41 0.00 0.00 173.24 174.54 2k1w s PHE 82 N -1.00 -0.56 -0.02 2.43 -0.71 -1.26 -2.59 117.98 114.27 2k1w s PHE 82 Ca -0.11 1.28 0.06 0.00 -1.04 0.00 0.00 56.93 57.12 2k1w s PHE 82 Cb -0.06 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2k1w s PHE 82 CO 0.00 -0.29 -0.19 -0.98 -1.34 0.00 0.00 175.22 172.42 2k1w s ARG 83 N 0.76 2.27 -0.11 1.99 1.70 -1.10 -3.91 118.95 120.54 2k1w s ARG 83 Ca -0.04 -0.84 -0.04 0.00 -0.47 0.00 0.00 55.73 54.34 2k1w s ARG 83 Cb -0.05 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 32.08 2k1w s ARG 83 CO -0.06 0.58 0.04 -0.65 -1.08 0.00 0.00 175.30 174.14 2k1w s GLN 84 N -0.84 3.27 0.00 3.89 1.11 -1.26 -1.59 119.66 124.24 2k1w s GLN 84 Ca 0.12 -0.33 0.15 0.00 0.01 0.00 0.00 55.36 55.30 2k1w s GLN 84 Cb -0.10 -2.96 0.12 0.00 -1.01 0.00 0.00 33.01 29.06 2k1w s GLN 84 CO 0.01 0.64 0.98 -0.89 0.01 0.00 0.00 175.29 176.04