#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 4.70 -0.44 7.83 0.01 -1.26 -5.08 114.94 120.70 2k1w s ASN 2 Ca 0.00 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.63 2k1w s ASN 2 Cb 0.00 -0.94 0.27 0.00 0.41 0.00 0.00 41.25 40.99 2k1w s ASN 2 CO 0.00 0.01 1.05 0.00 -1.51 0.00 0.00 177.10 176.65 2k1w n ALA 3 N -0.83 -1.84 -2.73 0.60 0.00 -1.26 -5.01 120.51 109.45 2k1w n ALA 3 Ca -0.07 -1.12 -0.04 0.00 0.00 0.00 0.00 53.44 52.21 2k1w n ALA 3 Cb 0.58 -1.81 0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 1.25 2.60 -2.62 0.00 0.00 -1.26 -4.97 120.51 115.50 2k1w n ALA 4 Ca 0.06 -2.10 -0.30 0.00 0.00 0.00 0.00 53.44 51.09 2k1w n ALA 4 Cb 0.67 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.84 3.63 -0.27 0.00 2.02 -1.26 -3.14 118.70 117.84 2k1w s GLU 5 Ca 0.21 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.11 2k1w s GLU 5 Cb 0.40 -2.78 0.09 0.00 0.10 0.00 0.00 34.13 31.94 2k1w s GLU 5 CO -0.05 0.39 0.10 0.08 0.02 0.00 0.00 175.26 175.80 2k1w s VAL 6 N -1.79 0.31 -0.39 2.63 1.01 -0.09 -4.49 120.40 117.58 2k1w s VAL 6 Ca 0.42 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2k1w s VAL 6 Cb -0.12 -1.16 0.09 0.00 0.00 0.00 0.00 36.38 35.19 2k1w s VAL 6 CO 0.26 -0.60 0.19 -0.51 0.00 0.00 0.00 175.10 174.44 2k1w s ILE 7 N 1.92 3.58 0.26 2.22 2.07 -1.25 -1.45 121.20 128.54 2k1w s ILE 7 Ca 0.07 -1.70 0.10 0.00 -1.41 0.00 0.00 60.65 57.72 2k1w s ILE 7 Cb -0.17 -3.28 -0.05 0.00 0.13 0.00 0.00 42.46 39.09 2k1w s ILE 7 CO -0.27 -0.52 -0.18 0.68 -1.91 0.00 0.00 174.94 172.75 2k1w s VAL 8 N 1.26 2.22 -0.10 4.00 -7.23 -0.23 -3.47 120.40 116.87 2k1w s VAL 8 Ca 0.04 -2.34 0.04 0.00 -1.81 0.00 0.00 61.98 57.91 2k1w s VAL 8 Cb -0.22 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2k1w s VAL 8 CO -0.01 -0.46 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.79 2k1w s TYR 9 N -2.67 2.37 -0.33 2.82 1.51 0.10 -0.59 117.35 120.56 2k1w s TYR 9 Ca 0.28 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 2k1w s TYR 9 Cb -0.03 -1.60 0.46 0.00 -0.11 0.00 0.00 41.96 40.68 2k1w s TYR 9 CO 0.12 -0.40 1.57 0.39 -1.11 0.00 0.00 175.55 176.12 2k1w n GLU 10 N 3.59 2.12 -3.38 -0.62 1.02 -1.20 -3.33 120.64 118.83 2k1w n GLU 10 Ca -0.20 -2.02 0.02 0.00 -0.02 0.00 0.00 57.16 54.94 2k1w n GLU 10 Cb 0.53 -1.82 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 2k1w n GLU 10 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k1w n HIS 11 N -0.44 -0.34 -1.87 -0.32 8.25 -1.26 -4.50 115.22 114.74 2k1w n HIS 11 Ca 0.37 -0.52 -0.37 0.00 -0.26 0.00 0.00 57.72 56.93 2k1w n HIS 11 Cb 1.22 0.24 0.05 0.00 1.12 0.00 0.00 29.99 32.62 2k1w n HIS 11 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k1w s VAL 12 N -2.06 2.31 0.13 1.59 0.11 0.12 -3.26 120.40 119.33 2k1w s VAL 12 Ca 0.21 0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 59.20 2k1w s VAL 12 Cb -0.01 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2k1w s VAL 12 CO -0.00 -0.03 1.61 -1.13 -3.33 0.00 0.00 175.10 172.21 2k1w h ASN 13 N 0.92 -1.02 -0.45 3.54 -1.24 -1.93 0.89 115.58 116.30 2k1w h ASN 13 Ca -0.51 0.14 -0.28 0.00 0.71 0.00 0.00 56.30 56.36 2k1w h ASN 13 Cb 1.31 0.42 -0.11 0.00 0.73 0.00 0.00 38.32 40.67 2k1w h ASN 13 CO 0.55 -0.38 0.26 2.22 -1.29 0.00 0.00 177.43 178.79 2k1w n PHE 14 N -5.42 1.12 0.00 0.67 -1.74 -1.26 -3.99 117.46 106.84 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 -1.00 0.00 0.00 1.52 0.00 0.00 39.48 40.33 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 0.86 0.00 3.72 4.97 0.00 -0.51 -5.18 105.19 109.05 2k1w n GLY 15 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.26 0.24 -0.02 0.00 0.19 -3.61 107.32 103.86 2k1w s GLY 16 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.55 2k1w s GLY 16 CO 0.00 -0.01 0.61 -1.59 0.00 0.00 0.00 173.10 172.11 2k1w s LYS 17 N -3.86 3.89 -0.39 2.90 0.00 -1.26 -4.94 119.74 116.08 2k1w s LYS 17 Ca 0.08 0.43 -0.07 0.00 0.00 0.00 0.00 55.97 56.40 2k1w s LYS 17 Cb -0.04 -2.63 0.07 0.00 0.00 0.00 0.00 37.83 35.23 2k1w s LYS 17 CO 0.00 0.29 0.19 -1.54 0.00 0.00 0.00 175.35 174.30 2k1w s SER 18 N -2.24 5.45 -0.63 0.03 1.04 -1.26 -3.27 113.70 112.83 2k1w s SER 18 Ca 0.48 -1.46 -0.19 0.00 0.48 0.00 0.00 55.95 55.26 2k1w s SER 18 Cb -0.12 -1.92 0.11 0.00 0.10 0.00 0.00 66.02 64.20 2k1w s SER 18 CO 0.20 -0.46 0.76 0.12 0.98 0.00 0.00 173.24 174.83 2k1w s PHE 19 N 1.37 3.02 -0.24 5.02 5.36 0.24 -4.96 117.98 127.79 2k1w s PHE 19 Ca 0.02 -1.01 -0.02 0.00 -0.96 0.00 0.00 56.93 54.96 2k1w s PHE 19 Cb -0.22 -4.05 0.02 0.00 -0.34 0.00 0.00 43.02 38.43 2k1w s PHE 19 CO 0.01 -1.32 -0.08 0.16 -1.46 0.00 0.00 175.22 172.53 2k1w s ASP 20 N 3.56 4.17 -0.08 6.13 -4.77 -1.25 -1.06 116.67 123.36 2k1w s ASP 20 Ca 0.14 -0.77 -0.30 0.00 -3.30 0.00 0.00 52.55 48.32 2k1w s ASP 20 Cb -0.22 -1.65 0.10 0.00 -1.09 0.00 0.00 42.92 40.06 2k1w s ASP 20 CO 0.05 -0.09 0.85 0.00 0.70 0.00 0.00 175.17 176.67 2k1w s ALA 21 N 1.34 -1.84 0.66 2.11 0.00 -0.53 -4.95 121.76 118.56 2k1w s ALA 21 Ca 0.02 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2k1w s ALA 21 Cb -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2k1w s ALA 21 CO -0.05 -0.41 0.00 0.25 0.00 0.00 0.00 175.76 175.54 2k1w n THR 22 N 0.58 0.00 -1.98 0.00 -2.24 -1.26 -0.91 114.28 108.47 2k1w n THR 22 Ca -0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 2k1w n THR 22 Cb 0.59 -1.66 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 2k1w n THR 22 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k1w s SER 23 N -1.00 4.89 0.00 3.42 1.04 -1.19 -3.53 113.70 117.33 2k1w s SER 23 Ca 0.00 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2k1w s SER 23 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2k1w s SER 23 CO 0.00 -3.06 0.00 -0.67 0.98 0.00 0.00 173.24 170.49 2k1w n ASP 24 N 14.90 0.00 -4.86 7.02 2.03 -1.26 -5.14 116.55 129.24 2k1w n ASP 24 Ca 0.42 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.43 2k1w n ASP 24 Cb 0.46 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.90 2.89 0.55 -0.67 1.11 -1.23 -4.92 119.66 116.49 2k1w s GLN 25 Ca 0.00 0.63 0.39 0.00 0.01 0.00 0.00 55.36 56.39 2k1w s GLN 25 Cb 0.00 -2.01 1.58 0.00 -1.01 0.00 0.00 33.01 31.57 2k1w s GLN 25 CO 0.00 -1.05 1.77 -1.35 0.01 0.00 0.00 175.29 174.67 2k1w h PRO 26 N -0.67 0.00 0.00 2.91 0.11 -2.01 -3.45 132.00 128.89 2k1w h PRO 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k1w h PRO 26 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k1w h PRO 26 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 2k1w n GLY 27 N -1.79 1.55 3.62 -0.55 0.00 -1.26 -4.76 105.19 101.99 2k1w n GLY 27 Ca 0.28 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.99 3.32 0.16 4.61 0.00 -1.06 -4.75 121.76 123.05 2k1w s ALA 28 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 2k1w s ALA 28 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 2k1w s ALA 28 CO 0.00 -1.88 0.16 0.20 0.00 0.00 0.00 175.76 174.23 2k1w s GLY 29 N 2.08 0.88 -0.12 0.00 0.00 -1.26 -4.83 107.32 104.07 2k1w s GLY 29 Ca 0.47 -1.30 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 2k1w s GLY 29 CO 0.24 -1.17 0.99 0.51 0.00 0.00 0.00 173.10 173.66 2k1w s ASP 30 N -3.04 7.20 0.11 1.64 1.47 -1.26 -4.05 116.67 118.75 2k1w s ASP 30 Ca 0.24 1.48 -0.11 0.00 1.18 0.00 0.00 52.55 55.34 2k1w s ASP 30 Cb 0.06 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 40.10 2k1w s ASP 30 CO 0.03 -0.45 0.27 0.20 0.68 0.00 0.00 175.17 175.90 2k1w s ASN 31 N 1.10 0.00 -1.19 2.11 0.01 -1.21 -4.93 114.94 110.83 2k1w s ASN 31 Ca 0.47 -0.58 -0.22 0.00 -0.71 0.00 0.00 52.86 51.82 2k1w s ASN 31 Cb -0.18 0.39 -0.06 0.00 0.41 0.00 0.00 41.25 41.81 2k1w s ASN 31 CO 0.17 -0.79 1.90 0.18 -1.51 0.00 0.00 177.10 177.05 2k1w n LEU 32 N -0.13 3.50 0.00 0.60 4.77 -1.26 -3.79 117.00 120.69 2k1w n LEU 32 Ca -0.14 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.53 2k1w n LEU 32 Cb 0.63 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 2k1w n LEU 32 CO 0.21 -1.37 0.00 -3.20 -1.33 0.00 0.00 177.39 171.70 2k1w n ASN 33 N 12.88 0.00 -3.97 -1.43 5.15 -1.25 -4.53 115.26 122.10 2k1w n ASN 33 Ca 0.46 -0.56 -0.32 0.00 -0.60 0.00 0.00 54.58 53.56 2k1w n ASN 33 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k1w n ASP 34 N -1.68 -4.25 -2.99 1.20 8.00 -1.26 -3.88 116.55 111.69 2k1w n ASP 34 Ca 0.00 -0.82 -0.12 0.00 0.71 0.00 0.00 54.79 54.55 2k1w n ASP 34 Cb 0.00 -3.42 -0.03 0.00 -0.02 0.00 0.00 41.12 37.65 2k1w n ASP 34 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2k1w n LYS 35 N -4.49 0.41 -2.98 -1.24 3.00 -1.26 -2.51 118.16 109.09 2k1w n LYS 35 Ca 0.05 -2.45 -0.31 0.00 -0.00 0.00 0.00 58.31 55.60 2k1w n LYS 35 Cb 0.51 -1.54 0.03 0.00 0.00 0.00 0.00 35.03 34.03 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2k1w n ILE 36 N 2.89 -2.99 -4.40 3.15 3.06 -1.26 -4.02 119.36 115.79 2k1w n ILE 36 Ca 0.22 0.05 -0.24 0.00 -2.50 0.00 0.00 62.75 60.29 2k1w n ILE 36 Cb 0.53 -2.73 -0.09 0.00 0.54 0.00 0.00 39.64 37.89 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 -1.16 3.99 -0.11 9.51 0.01 -1.26 0.13 113.70 124.81 2k1w s SER 37 Ca 0.30 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.68 2k1w s SER 37 Cb -0.03 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.67 2k1w s SER 37 CO 0.69 -0.02 -0.19 -0.55 0.41 0.00 0.00 173.24 173.58 2k1w s SER 38 N -3.60 3.55 -0.28 2.44 0.15 -1.20 -4.31 113.70 110.45 2k1w s SER 38 Ca 0.31 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2k1w s SER 38 Cb -0.04 -1.41 0.09 0.00 -1.71 0.00 0.00 66.02 62.94 2k1w s SER 38 CO 0.17 0.18 0.05 -0.63 1.20 0.00 0.00 173.24 174.21 2k1w s ILE 39 N 0.23 1.25 -0.28 6.45 1.09 0.97 0.02 121.20 130.93 2k1w s ILE 39 Ca -0.12 -1.44 0.01 0.00 -1.10 0.00 0.00 60.65 58.00 2k1w s ILE 39 Cb -0.16 -1.81 0.08 0.00 -1.06 0.00 0.00 42.46 39.51 2k1w s ILE 39 CO 0.07 -0.48 0.03 -0.75 -0.10 0.00 0.00 174.94 173.71 2k1w s LYS 40 N 1.46 1.21 -0.05 2.79 2.36 -1.23 0.01 119.74 126.30 2k1w s LYS 40 Ca 0.05 -1.18 -0.15 0.00 -2.55 0.00 0.00 55.97 52.14 2k1w s LYS 40 Cb -0.18 -2.49 0.03 0.00 -1.05 0.00 0.00 37.83 34.13 2k1w s LYS 40 CO -0.16 -0.81 0.34 0.08 1.55 0.00 0.00 175.35 176.35 2k1w s VAL 41 N 1.39 0.04 -0.51 4.02 1.01 -1.25 -4.05 120.40 121.06 2k1w s VAL 41 Ca 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2k1w s VAL 41 Cb -0.18 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.74 2k1w s VAL 41 CO -0.13 -0.18 0.29 -0.54 0.00 0.00 0.00 175.10 174.54 2k1w s LYS 42 N -0.90 1.69 -0.30 2.72 -0.14 -1.26 -2.77 119.74 118.78 2k1w s LYS 42 Ca -0.10 -2.44 -0.02 0.00 -1.36 0.00 0.00 55.97 52.06 2k1w s LYS 42 Cb -0.04 -2.81 0.19 0.00 -1.68 0.00 0.00 37.83 33.49 2k1w s LYS 42 CO 0.03 -1.17 0.80 -1.54 -0.76 0.00 0.00 175.35 172.71 2k1w s SER 43 N -0.17 -1.07 0.74 2.83 1.04 -1.26 -4.81 113.70 111.00 2k1w s SER 43 Ca 0.19 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2k1w s SER 43 Cb -0.20 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.55 2k1w s SER 43 CO -0.03 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2k1w n GLY 44 N 5.12 2.50 3.33 7.32 0.00 -1.25 -4.45 105.19 117.77 2k1w n GLY 44 Ca 0.07 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 1.75 0.07 2.61 -4.23 -1.14 -3.09 115.64 111.60 2k1w s THR 45 Ca 0.00 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2k1w s THR 45 Cb 0.00 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 2k1w s THR 45 CO 0.00 -0.46 -0.04 0.26 -0.54 0.00 0.00 174.62 173.84 2k1w s TRP 46 N -2.51 0.64 -0.10 3.99 0.51 -0.93 -0.03 118.94 120.52 2k1w s TRP 46 Ca 0.19 -1.03 0.02 0.00 -2.12 0.00 0.00 56.10 53.15 2k1w s TRP 46 Cb -0.03 -0.43 -0.02 0.00 -0.81 0.00 0.00 33.47 32.18 2k1w s TRP 46 CO 0.07 -0.32 -0.15 1.03 -0.51 0.00 0.00 176.95 177.07 2k1w s ARG 47 N -3.90 3.02 -0.04 4.98 3.00 -0.31 -1.77 118.95 123.93 2k1w s ARG 47 Ca 0.09 -0.71 0.07 0.00 0.00 0.00 0.00 55.73 55.18 2k1w s ARG 47 Cb 0.07 -2.50 -0.01 0.00 0.00 0.00 0.00 34.95 32.51 2k1w s ARG 47 CO -0.08 0.36 -0.25 -0.06 0.00 0.00 0.00 175.30 175.27 2k1w s PHE 48 N -0.05 2.34 -0.23 -0.53 0.08 0.12 -2.34 117.98 117.37 2k1w s PHE 48 Ca -0.03 -0.58 -0.26 0.00 0.12 0.00 0.00 56.93 56.18 2k1w s PHE 48 Cb -0.14 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.86 2k1w s PHE 48 CO 0.04 -0.13 0.71 1.52 -0.10 0.00 0.00 175.22 177.26 2k1w s TYR 49 N -0.36 -0.76 -1.01 0.36 -0.85 -1.03 -0.28 117.35 113.42 2k1w s TYR 49 Ca 0.03 1.77 -0.02 0.00 -0.52 0.00 0.00 57.07 58.33 2k1w s TYR 49 Cb -0.12 0.30 0.30 0.00 0.38 0.00 0.00 41.96 42.82 2k1w s TYR 49 CO 0.01 -0.42 1.41 -0.85 -1.52 0.00 0.00 175.55 174.19 2k1w n GLU 50 N 2.35 4.31 -3.21 -3.49 0.28 -1.26 -1.32 120.64 118.30 2k1w n GLU 50 Ca -0.15 -4.59 0.00 0.00 -0.16 0.00 0.00 57.16 52.26 2k1w n GLU 50 Cb 0.55 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.96 2k1w n GLU 50 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2k1w n TYR 51 N 1.08 0.00 -0.23 -1.84 4.19 0.49 -4.63 117.16 116.22 2k1w n TYR 51 Ca 0.29 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.26 2k1w n TYR 51 Cb 0.34 0.00 0.22 0.00 0.49 0.00 0.00 39.34 40.39 2k1w n TYR 51 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2k1w n ILE 52 N 1.87 0.00 0.23 2.97 -5.35 -1.26 -4.39 119.36 113.43 2k1w n ILE 52 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 2k1w n ILE 52 Cb 0.00 -0.75 0.37 0.00 -1.74 0.00 0.00 39.64 37.53 2k1w n ILE 52 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2k1w h ASN 53 N -3.25 0.00 -2.01 7.28 4.21 -2.00 -3.36 115.58 116.46 2k1w h ASN 53 Ca -0.30 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.68 2k1w h ASN 53 Cb 1.01 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.81 2k1w h ASN 53 CO 0.18 0.12 -1.12 0.00 -1.29 0.00 0.00 177.43 175.32 2k1w n TYR 54 N -3.19 0.08 0.00 1.19 0.18 -1.26 -4.92 117.16 109.24 2k1w n TYR 54 Ca 0.02 -3.70 0.00 0.00 1.88 0.00 0.00 57.90 56.10 2k1w n TYR 54 Cb 0.47 -0.39 0.00 0.00 -0.38 0.00 0.00 39.34 39.04 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 0.89 -1.60 2.25 -7.48 0.00 -1.26 -5.18 105.19 92.81 2k1w n GLY 55 Ca 0.23 0.57 -0.05 0.00 0.00 0.00 0.00 46.02 46.77 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 1.39 3.58 -0.02 0.00 -1.26 -3.98 105.19 104.89 2k1w n GLY 56 Ca 0.00 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.05 3.45 -0.05 1.61 3.00 -1.26 -4.95 118.95 118.70 2k1w s ARG 57 Ca 0.09 0.16 -0.30 0.00 -1.00 0.00 0.00 55.73 54.69 2k1w s ARG 57 Cb -0.03 -4.05 -0.02 0.00 0.00 0.00 0.00 34.95 30.85 2k1w s ARG 57 CO 0.07 -1.77 1.06 -0.47 0.00 0.00 0.00 175.30 174.19 2k1w s TYR 58 N 5.11 3.48 -0.28 5.12 5.04 -1.26 -3.87 117.35 130.68 2k1w s TYR 58 Ca 0.42 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.57 2k1w s TYR 58 Cb -0.08 -3.24 0.16 0.00 0.35 0.00 0.00 41.96 39.16 2k1w s TYR 58 CO 0.24 -0.49 0.46 -0.46 -1.34 0.00 0.00 175.55 173.95 2k1w s TRP 59 N 1.70 -1.18 0.25 4.97 -0.00 0.61 -4.99 118.94 120.30 2k1w s TRP 59 Ca 0.52 0.79 0.07 0.00 -0.00 0.00 0.00 56.10 57.48 2k1w s TRP 59 Cb -0.21 0.07 -0.04 0.00 -0.00 0.00 0.00 33.47 33.29 2k1w s TRP 59 CO 0.22 -0.91 0.18 0.16 -0.00 0.00 0.00 176.95 176.60 2k1w s ASP 60 N 2.63 5.43 0.14 5.86 -4.77 -1.26 0.14 116.67 124.84 2k1w s ASP 60 Ca 0.12 -0.29 -0.17 0.00 -3.30 0.00 0.00 52.55 48.91 2k1w s ASP 60 Cb -0.13 -1.35 0.04 0.00 -1.09 0.00 0.00 42.92 40.39 2k1w s ASP 60 CO -0.24 -0.03 0.44 -1.48 0.70 0.00 0.00 175.17 174.56 2k1w s LEU 61 N -3.82 0.21 0.00 2.11 0.05 -0.73 -4.96 118.68 111.55 2k1w s LEU 61 Ca 0.33 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.22 2k1w s LEU 61 Cb -0.08 1.99 0.00 0.00 -2.05 0.00 0.00 46.19 46.05 2k1w s LEU 61 CO 0.24 -0.89 0.00 0.61 -0.55 0.00 0.00 176.35 175.76 2k1w n GLY 62 N -0.26 0.62 3.56 -3.48 0.00 -1.26 -2.19 105.19 102.17 2k1w n GLY 62 Ca -0.16 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2k1w n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k1w s PRO 63 N -1.29 2.30 -0.00 1.61 0.02 -1.18 -4.88 135.00 131.57 2k1w s PRO 63 Ca 0.00 1.39 -0.29 0.00 0.02 0.00 0.00 61.00 62.12 2k1w s PRO 63 Cb 0.00 -4.53 0.10 0.00 0.02 0.00 0.00 34.50 30.09 2k1w s PRO 63 CO 0.00 -3.05 0.89 0.20 -0.33 0.00 0.00 177.00 174.71 2k1w s GLY 64 N 11.13 -0.46 0.19 0.52 0.00 -1.12 -4.95 107.32 112.63 2k1w s GLY 64 Ca 0.94 1.01 -0.11 0.00 0.00 0.00 0.00 44.72 46.56 2k1w s GLY 64 CO 0.27 0.33 0.53 1.85 0.00 0.00 0.00 173.10 176.08 2k1w s GLU 65 N -3.12 3.84 -0.06 2.90 2.12 -1.26 -3.77 118.70 119.36 2k1w s GLU 65 Ca 0.05 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 2k1w s GLU 65 Cb -0.01 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.64 2k1w s GLU 65 CO -0.09 0.39 0.15 -0.47 -0.54 0.00 0.00 175.26 174.69 2k1w s TYR 66 N -1.68 -0.16 -0.33 5.30 5.04 0.10 -4.95 117.35 120.67 2k1w s TYR 66 Ca 0.43 0.42 0.12 0.00 -2.44 0.00 0.00 57.07 55.60 2k1w s TYR 66 Cb -0.13 0.01 0.39 0.00 0.35 0.00 0.00 41.96 42.59 2k1w s TYR 66 CO 0.20 -0.11 1.48 -1.13 -1.34 0.00 0.00 175.55 174.66 2k1w n SER 67 N 3.40 -1.47 -4.38 4.32 3.41 -1.26 -0.02 113.62 117.63 2k1w n SER 67 Ca -0.17 -2.20 -0.29 0.00 -0.26 0.00 0.00 58.87 55.95 2k1w n SER 67 Cb 0.57 0.71 0.16 0.00 -0.26 0.00 0.00 64.21 65.38 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 -1.09 3.35 0.00 4.04 0.01 -1.26 -4.97 113.70 113.78 2k1w s SER 68 Ca 0.10 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2k1w s SER 68 Cb 0.42 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2k1w s SER 68 CO -0.12 -2.61 0.64 0.55 0.41 0.00 0.00 173.24 172.12 2k1w n VAL 69 N -3.73 0.00 -1.80 3.43 3.14 -1.26 -4.32 118.33 113.79 2k1w n VAL 69 Ca 0.12 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.46 2k1w n VAL 69 Cb 0.60 0.26 -0.04 0.00 -1.06 0.00 0.00 33.84 33.60 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 -0.49 1.45 0.28 -1.26 -4.93 120.64 115.69 2k1w n GLU 70 Ca 0.00 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.46 2k1w n GLU 70 Cb 0.57 0.41 0.00 0.00 1.43 0.00 0.00 31.44 33.85 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 -0.15 -1.35 0.01 0.00 -1.33 0.00 0.00 58.87 56.05 2k1w n SER 71 Cb 0.51 -0.07 0.01 0.00 -0.75 0.00 0.00 64.21 63.91 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 -3.35 -1.46 0.00 -1.26 -5.05 120.51 111.48 2k1w n ALA 72 Ca 0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 53.44 51.94 2k1w n ALA 72 Cb 0.57 -0.53 0.01 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 -0.03 -1.07 2.59 0.00 0.00 -1.26 -4.87 105.19 100.56 2k1w n GLY 73 Ca 0.02 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.61 3.04 -0.06 -0.61 -5.35 -1.26 -4.57 119.36 108.93 2k1w n ILE 74 Ca -0.11 -5.41 -0.03 0.00 -0.27 0.00 0.00 62.75 56.93 2k1w n ILE 74 Cb 0.59 -1.96 -0.01 0.00 -1.74 0.00 0.00 39.64 36.52 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 4.14 0.00 -4.58 6.28 0.11 -1.85 -3.41 132.00 132.69 2k1w h PRO 75 Ca 0.20 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.04 2k1w h PRO 75 Cb 0.61 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.52 2k1w h PRO 75 CO 0.92 0.00 -0.73 -0.51 -0.21 0.00 0.00 178.00 177.46 2k1w s ASP 76 N -5.54 0.88 0.21 -2.05 1.01 -1.23 -4.95 116.67 104.99 2k1w s ASP 76 Ca -0.08 -0.58 -0.30 0.00 0.71 0.00 0.00 52.55 52.30 2k1w s ASP 76 Cb 0.01 0.04 -0.08 0.00 1.01 0.00 0.00 42.92 43.90 2k1w s ASP 76 CO 0.13 -0.22 1.01 0.20 0.21 0.00 0.00 175.17 176.50 2k1w s ASN 77 N -1.67 7.46 0.27 0.27 0.01 -1.25 -4.60 114.94 115.44 2k1w s ASN 77 Ca -0.09 2.02 -0.09 0.00 -0.71 0.00 0.00 52.86 53.99 2k1w s ASN 77 Cb -0.09 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.00 2k1w s ASN 77 CO 0.00 -0.02 0.52 -1.20 -1.51 0.00 0.00 177.10 174.89 2k1w n SER 78 N 1.82 -1.52 -4.61 -1.22 7.64 -1.26 -4.93 113.62 109.55 2k1w n SER 78 Ca -0.00 -2.13 -0.43 0.00 1.01 0.00 0.00 58.87 57.32 2k1w n SER 78 Cb 0.47 2.55 -0.03 0.00 -1.01 0.00 0.00 64.21 66.19 2k1w n SER 78 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k1w s ILE 79 N -2.42 3.18 -0.04 0.44 -1.09 -1.26 -3.84 121.20 116.16 2k1w s ILE 79 Ca 0.12 0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 2k1w s ILE 79 Cb -0.03 -3.21 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 2k1w s ILE 79 CO 0.09 -0.11 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.21 2k1w s SER 80 N 6.87 0.92 0.16 3.58 0.01 -1.25 -0.38 113.70 123.61 2k1w s SER 80 Ca 0.92 -0.12 0.08 0.00 1.31 0.00 0.00 55.95 58.14 2k1w s SER 80 Cb -0.31 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2k1w s SER 80 CO 0.35 -0.06 -0.17 -0.55 0.41 0.00 0.00 173.24 173.21 2k1w s SER 81 N 0.97 2.56 -0.19 2.44 0.15 -0.44 -3.36 113.70 115.83 2k1w s SER 81 Ca -0.10 -0.86 -0.16 0.00 0.70 0.00 0.00 55.95 55.52 2k1w s SER 81 Cb -0.14 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2k1w s SER 81 CO -0.00 -0.06 0.49 0.72 1.20 0.00 0.00 173.24 175.58 2k1w s PHE 82 N -2.12 -0.56 0.03 3.44 -0.71 -1.26 -2.45 117.98 114.35 2k1w s PHE 82 Ca 0.15 1.34 0.08 0.00 -1.04 0.00 0.00 56.93 57.46 2k1w s PHE 82 Cb -0.05 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 2k1w s PHE 82 CO 0.06 -0.28 -0.24 1.03 -1.34 0.00 0.00 175.22 174.45 2k1w s ARG 83 N 0.43 1.93 0.13 1.99 0.52 -0.99 -2.56 118.95 120.40 2k1w s ARG 83 Ca -0.01 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 2k1w s ARG 83 Cb -0.04 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 2k1w s ARG 83 CO -0.02 0.53 0.13 -0.65 0.02 0.00 0.00 175.30 175.31 2k1w s GLN 84 N -1.20 2.97 0.00 3.54 1.11 -1.26 -1.16 119.66 123.65 2k1w s GLN 84 Ca 0.12 -0.76 0.00 0.00 0.01 0.00 0.00 55.36 54.74 2k1w s GLN 84 Cb -0.10 -2.72 0.00 0.00 -1.01 0.00 0.00 33.01 29.17 2k1w s GLN 84 CO 0.02 0.53 0.41 -0.89 0.01 0.00 0.00 175.29 175.37