#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h n SER 2 N 0.00 -1.66 -4.53 7.83 3.41 -1.26 -5.14 113.62 112.27 2k8h n SER 2 Ca 0.00 -3.21 -0.29 0.00 -0.26 0.00 0.00 58.87 55.11 2k8h n SER 2 Cb 0.00 1.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.85 2k8h n SER 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2k8h s ASN 3 N -1.57 4.12 0.32 4.04 0.01 -1.26 -5.14 114.94 115.47 2k8h s ASN 3 Ca 0.32 -0.51 0.10 0.00 -0.71 0.00 0.00 52.86 52.05 2k8h s ASN 3 Cb 0.24 -0.67 -0.06 0.00 0.41 0.00 0.00 41.25 41.17 2k8h s ASN 3 CO -0.16 0.16 -0.07 0.54 -1.51 0.00 0.00 177.10 176.06 2k8h s ASN 4 N -2.33 3.95 0.00 -1.22 2.20 -1.26 -5.14 114.94 111.14 2k8h s ASN 4 Ca 0.21 -1.03 0.00 0.00 -0.94 0.00 0.00 52.86 51.10 2k8h s ASN 4 Cb -0.10 -0.46 0.00 0.00 -2.00 0.00 0.00 41.25 38.69 2k8h s ASN 4 CO 0.12 -0.14 0.00 0.61 -2.94 0.00 0.00 177.10 174.76 2k8h n GLY 5 N -0.82 2.13 0.00 0.45 0.00 -1.26 -5.12 105.19 100.57 2k8h n GLY 5 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k8h n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8h n GLY 6 N -0.51 -0.58 3.89 -0.02 0.00 -1.26 -5.17 105.19 101.55 2k8h n GLY 6 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2k8h n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 7 N 0.00 3.50 0.11 1.61 8.01 -1.26 -5.02 118.70 125.64 2k8h s GLU 7 Ca 0.00 0.49 -0.31 0.00 0.01 0.00 0.00 54.97 55.16 2k8h s GLU 7 Cb 0.00 -2.19 -0.08 0.00 -4.31 0.00 0.00 34.13 27.55 2k8h s GLU 7 CO 0.00 -0.47 1.37 -1.25 0.01 0.00 0.00 175.26 174.91 2k8h s PRO 8 N -5.02 4.33 -0.42 0.39 0.04 -1.26 -4.99 135.00 128.07 2k8h s PRO 8 Ca 0.52 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.64 2k8h s PRO 8 Cb -0.11 -3.26 0.17 0.00 0.04 0.00 0.00 34.50 31.34 2k8h s PRO 8 CO 0.50 -0.42 0.45 0.45 0.04 0.00 0.00 177.00 178.03 2k8h s SER 9 N 1.11 0.57 0.13 6.66 0.15 -1.26 -4.98 113.70 116.08 2k8h s SER 9 Ca 0.64 -2.03 0.09 0.00 0.70 0.00 0.00 55.95 55.35 2k8h s SER 9 Cb -0.36 0.61 -0.16 0.00 -1.71 0.00 0.00 66.02 64.40 2k8h s SER 9 CO 0.30 -0.18 1.23 -0.55 1.20 0.00 0.00 173.24 175.24 2k8h h ASN 10 N 6.18 0.00 -5.28 5.45 7.08 -2.07 -3.49 115.58 123.45 2k8h h ASN 10 Ca 0.12 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.34 2k8h h ASN 10 Cb 1.03 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.24 2k8h h ASN 10 CO 0.20 0.90 -1.08 0.59 -2.08 0.00 0.00 177.43 175.96 2k8h n ASN 11 N -3.29 -6.51 0.22 6.14 5.03 -1.26 -4.87 115.26 110.72 2k8h n ASN 11 Ca -0.02 1.30 0.07 0.00 0.87 0.00 0.00 54.58 56.80 2k8h n ASN 11 Cb 0.91 -4.83 0.50 0.00 -1.02 0.00 0.00 39.78 35.35 2k8h n ASN 11 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2k8h h GLY 12 N 3.37 0.00 0.00 7.41 0.00 -2.05 -3.46 103.07 108.34 2k8h h GLY 12 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2k8h h GLY 12 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 2k8h n GLY 13 N -0.59 1.54 3.10 4.60 0.00 -1.26 -4.91 105.19 107.67 2k8h n GLY 13 Ca -0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2k8h n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k8h n GLU 14 N 0.00 -2.10 -2.88 1.61 4.07 -1.26 -4.92 120.64 115.16 2k8h n GLU 14 Ca 0.00 0.79 -0.44 0.00 -0.06 0.00 0.00 57.16 57.46 2k8h n GLU 14 Cb 0.00 -5.47 0.00 0.00 -0.06 0.00 0.00 31.44 25.91 2k8h n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k8h n GLY 15 N -1.25 3.81 2.90 8.31 0.00 -1.26 -4.88 105.19 112.82 2k8h n GLY 15 Ca -0.07 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 2k8h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h n ALA 16 N 4.77 5.09 -4.08 4.61 0.00 -1.26 -4.98 120.51 124.67 2k8h n ALA 16 Ca 0.35 -4.79 -0.17 0.00 0.00 0.00 0.00 53.44 48.83 2k8h n ALA 16 Cb 0.41 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 2k8h n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k8h n GLU 17 N 1.15 0.54 0.00 0.00 4.07 -1.26 -5.11 120.64 120.02 2k8h n GLU 17 Ca 0.28 -2.88 0.00 0.00 -0.06 0.00 0.00 57.16 54.50 2k8h n GLU 17 Cb 0.34 2.57 0.00 0.00 -0.06 0.00 0.00 31.44 34.28 2k8h n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k8h n GLY 18 N -0.57 -0.64 2.97 8.31 0.00 -1.26 -5.18 105.19 108.82 2k8h n GLY 18 Ca 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2k8h n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 19 N 0.00 0.20 -0.40 2.61 2.01 -1.26 -5.08 115.64 113.72 2k8h s THR 19 Ca 0.00 -0.68 0.10 0.00 0.31 0.00 0.00 61.69 61.41 2k8h s THR 19 Cb 0.00 -0.29 0.36 0.00 0.01 0.00 0.00 72.50 72.58 2k8h s THR 19 CO 0.00 -0.31 1.02 0.00 -0.69 0.00 0.00 174.62 174.63 2k8h s LYS 21 N -1.01 0.28 0.24 0.00 2.20 -1.26 -5.14 119.74 115.03 2k8h s LYS 21 Ca 0.28 0.21 -0.07 0.00 -0.36 0.00 0.00 55.97 56.04 2k8h s LYS 21 Cb 0.35 -0.84 0.03 0.00 -1.51 0.00 0.00 37.83 35.86 2k8h s LYS 21 CO -0.05 -0.75 0.43 -1.91 -0.36 0.00 0.00 175.35 172.71 2k8h n GLU 22 N 5.33 0.62 -1.76 4.03 2.13 -1.26 -5.18 120.64 124.55 2k8h n GLU 22 Ca -0.04 -1.47 -0.17 0.00 0.66 0.00 0.00 57.16 56.14 2k8h n GLU 22 Cb 0.49 1.70 0.10 0.00 0.27 0.00 0.00 31.44 33.99 2k8h n GLU 22 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k8h n GLU 23 N -0.34 -0.13 -4.55 5.31 1.02 -1.26 -5.09 120.64 115.60 2k8h n GLU 23 Ca -0.04 -1.72 -0.33 0.00 -0.02 0.00 0.00 57.16 55.05 2k8h n GLU 23 Cb 0.36 -0.57 -0.13 0.00 -0.02 0.00 0.00 31.44 31.09 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2k8h s THR 24 N -2.25 3.63 0.13 2.62 -1.32 -1.26 -4.83 115.64 112.37 2k8h s THR 24 Ca 0.46 -0.46 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 2k8h s THR 24 Cb -0.02 -2.56 0.07 0.00 -1.51 0.00 0.00 72.50 68.48 2k8h s THR 24 CO 0.31 0.52 0.77 0.00 -2.21 0.00 0.00 174.62 174.02 2k8h s ALA 25 N 0.13 -1.60 -0.09 11.08 0.00 -1.26 -5.07 121.76 124.94 2k8h s ALA 25 Ca -0.03 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.38 2k8h s ALA 25 Cb -0.14 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2k8h s ALA 25 CO 0.03 -0.85 -0.19 -1.17 0.00 0.00 0.00 175.76 173.58 2k8h s LEU 26 N -2.74 1.90 -0.02 0.00 0.20 -1.26 -2.48 118.68 114.27 2k8h s LEU 26 Ca 0.06 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.43 2k8h s LEU 26 Cb -0.02 -1.18 0.01 0.00 -0.43 0.00 0.00 46.19 44.57 2k8h s LEU 26 CO -0.05 0.09 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.38 2k8h s VAL 27 N 0.56 0.38 -0.03 1.68 1.01 -0.44 -4.66 120.40 118.91 2k8h s VAL 27 Ca -0.15 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 2k8h s VAL 27 Cb -0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2k8h s VAL 27 CO 0.05 0.15 0.48 0.00 0.00 0.00 0.00 175.10 175.79 2k8h s ALA 28 N 0.47 3.57 0.03 5.51 0.00 -0.03 -1.46 121.76 129.85 2k8h s ALA 28 Ca -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2k8h s ALA 28 Cb -0.09 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2k8h s ALA 28 CO -0.00 0.26 -0.21 0.08 0.00 0.00 0.00 175.76 175.88 2k8h s VAL 29 N -0.37 2.54 -0.25 0.00 1.01 -0.46 -1.73 120.40 121.14 2k8h s VAL 29 Ca 0.26 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2k8h s VAL 29 Cb -0.17 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.27 2k8h s VAL 29 CO 0.14 0.40 0.04 -0.75 0.00 0.00 0.00 175.10 174.92 2k8h s LYS 30 N -1.22 0.92 -0.26 2.72 2.20 -0.31 -1.24 119.74 122.54 2k8h s LYS 30 Ca 0.13 -0.85 -0.18 0.00 -0.36 0.00 0.00 55.97 54.71 2k8h s LYS 30 Cb -0.10 -2.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 2k8h s LYS 30 CO 0.03 -0.78 0.52 0.08 -0.36 0.00 0.00 175.35 174.84 2k8h s VAL 31 N 1.63 5.07 0.23 4.02 1.01 -0.44 -1.48 120.40 130.43 2k8h s VAL 31 Ca 0.02 0.88 0.11 0.00 0.00 0.00 0.00 61.98 62.99 2k8h s VAL 31 Cb -0.18 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2k8h s VAL 31 CO -0.14 0.08 -0.17 0.68 0.00 0.00 0.00 175.10 175.55 2k8h s VAL 32 N 2.32 2.70 0.06 2.92 -7.23 -0.42 -1.44 120.40 119.30 2k8h s VAL 32 Ca 0.21 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 2k8h s VAL 32 Cb -0.16 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2k8h s VAL 32 CO 0.09 -0.24 -0.07 0.20 -0.31 0.00 0.00 175.10 174.77 2k8h s ASN 33 N -3.11 0.88 0.55 4.85 -0.87 -0.69 -1.33 114.94 115.21 2k8h s ASN 33 Ca 0.26 -0.69 0.31 0.00 -1.57 0.00 0.00 52.86 51.18 2k8h s ASN 33 Cb -0.07 0.06 1.60 0.00 -0.02 0.00 0.00 41.25 42.82 2k8h s ASN 33 CO 0.14 -0.29 2.11 0.00 -2.57 0.00 0.00 177.10 176.48 2k8h h ALA 34 N 4.05 1.19 0.00 0.60 0.00 -1.89 -1.75 119.26 121.46 2k8h h ALA 34 Ca -0.35 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2k8h h ALA 34 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k8h h ALA 34 CO 0.48 0.10 -0.40 0.22 0.00 0.00 0.00 179.25 179.65 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 1.82 -1.95 -3.47 116.42 112.81 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k8h h ASP 35 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2k8h h ASP 35 CO 0.01 0.40 0.00 0.61 -1.61 0.00 0.00 179.24 178.65 2k8h n GLY 36 N 0.67 1.20 3.69 -0.78 0.00 -0.66 -5.09 105.19 104.22 2k8h n GLY 36 Ca 0.01 -0.16 -0.52 0.00 0.00 0.00 0.00 46.02 45.34 2k8h n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h n ALA 37 N 0.00 0.35 -2.94 4.61 0.00 -1.26 -4.68 120.51 116.60 2k8h n ALA 37 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 2k8h n ALA 37 Cb 0.00 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 16.97 2k8h n ALA 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k8h s GLU 38 N 3.41 0.09 -0.25 0.00 -1.05 -1.26 -1.71 118.70 117.93 2k8h s GLU 38 Ca 0.94 0.04 -0.14 0.00 -0.15 0.00 0.00 54.97 55.66 2k8h s GLU 38 Cb -0.86 0.04 0.08 0.00 -0.44 0.00 0.00 34.13 32.94 2k8h s GLU 38 CO 0.56 -0.01 0.61 0.00 0.95 0.00 0.00 175.26 177.37 2k8h s MET 39 N -0.06 0.61 0.11 -4.83 0.23 -0.52 -5.02 119.30 109.82 2k8h s MET 39 Ca -0.01 1.11 0.06 0.00 -1.03 0.00 0.00 55.69 55.83 2k8h s MET 39 Cb -0.01 0.12 -0.03 0.00 -1.53 0.00 0.00 34.83 33.38 2k8h s MET 39 CO 0.00 -0.16 -0.16 -0.59 -2.03 0.00 0.00 175.02 172.08 2k8h s PHE 40 N 1.63 1.48 0.06 3.16 -0.71 -1.26 -1.33 117.98 121.00 2k8h s PHE 40 Ca -0.10 -0.49 -0.26 0.00 -1.04 0.00 0.00 56.93 55.04 2k8h s PHE 40 Cb -0.06 -0.79 0.07 0.00 -1.21 0.00 0.00 43.02 41.02 2k8h s PHE 40 CO -0.18 0.15 0.62 0.12 -1.34 0.00 0.00 175.22 174.60 2k8h s PHE 41 N -1.63 -0.58 -0.25 3.49 5.36 -0.37 -4.99 117.98 119.01 2k8h s PHE 41 Ca 0.06 0.69 -0.19 0.00 -0.96 0.00 0.00 56.93 56.53 2k8h s PHE 41 Cb -0.08 0.47 -0.03 0.00 -0.34 0.00 0.00 43.02 43.05 2k8h s PHE 41 CO 0.03 -0.72 0.55 -0.98 -1.46 0.00 0.00 175.22 172.64 2k8h s ARG 42 N -2.49 4.10 0.02 10.12 1.70 -1.26 -1.35 118.95 129.78 2k8h s ARG 42 Ca -0.05 0.40 -0.02 0.00 -0.47 0.00 0.00 55.73 55.60 2k8h s ARG 42 Cb -0.01 -3.64 -0.02 0.00 -0.57 0.00 0.00 34.95 30.72 2k8h s ARG 42 CO -0.02 -0.34 0.01 0.42 -1.08 0.00 0.00 175.30 174.29 2k8h s ILE 43 N 2.25 0.11 0.20 4.99 1.09 -0.53 -4.97 121.20 124.33 2k8h s ILE 43 Ca 0.23 -0.88 -0.32 0.00 -1.10 0.00 0.00 60.65 58.57 2k8h s ILE 43 Cb -0.16 -0.33 -0.14 0.00 -1.06 0.00 0.00 42.46 40.77 2k8h s ILE 43 CO 0.09 -0.49 1.40 0.29 -0.10 0.00 0.00 174.94 176.13 2k8h n LYS 44 N 1.53 1.84 -0.19 2.79 5.02 -1.26 -1.32 118.16 126.57 2k8h n LYS 44 Ca -0.23 0.66 0.19 0.00 -2.02 0.00 0.00 58.31 56.90 2k8h n LYS 44 Cb 0.55 -2.31 0.54 0.00 -0.02 0.00 0.00 35.03 33.79 2k8h n LYS 44 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2k8h h SER 45 N 4.47 0.34 -0.70 4.39 0.02 -1.76 0.12 113.55 120.41 2k8h h SER 45 Ca -0.45 0.03 0.20 0.00 -0.84 0.00 0.00 61.79 60.73 2k8h h SER 45 Cb 1.29 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2k8h h SER 45 CO 0.78 0.15 0.57 -0.09 -1.14 0.00 0.00 176.83 177.10 2k8h h ARG 46 N 0.35 0.00 -1.91 3.45 1.12 -1.84 -3.40 114.38 112.15 2k8h h ARG 46 Ca 0.41 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 59.36 2k8h h ARG 46 Cb 1.08 0.00 -0.21 0.00 -0.01 0.00 0.00 29.97 30.83 2k8h h ARG 46 CO -0.13 0.00 -0.06 0.95 -3.11 0.00 0.00 179.97 177.62 2k8h s THR 47 N -4.85 -0.74 0.36 0.20 -4.23 0.40 -4.88 115.64 101.91 2k8h s THR 47 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2k8h s THR 47 Cb 0.19 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2k8h s THR 47 CO 0.69 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.77 2k8h n ALA 48 N 5.15 1.13 0.21 3.99 0.00 -1.25 -3.97 120.51 125.76 2k8h n ALA 48 Ca -0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.48 2k8h n ALA 48 Cb 0.51 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.81 2k8h n ALA 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k8h h LEU 49 N 0.00 0.00 0.60 0.00 -0.00 -1.93 -0.64 115.31 113.34 2k8h h LEU 49 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2k8h h LEU 49 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2k8h h LEU 49 CO 0.00 0.00 -0.29 0.11 -0.00 0.00 0.00 178.44 178.26 2k8h h LYS 50 N 0.00 -0.78 0.00 1.13 1.79 -1.90 -1.07 116.57 115.73 2k8h h LYS 50 Ca 0.09 0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 2k8h h LYS 50 Cb 0.58 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2k8h h LYS 50 CO -0.00 -0.47 -0.37 -0.22 -1.08 0.00 0.00 179.45 177.31 2k8h h LYS 51 N -1.03 0.00 0.18 3.15 3.64 -1.77 -0.88 116.57 119.86 2k8h h LYS 51 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2k8h h LYS 51 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2k8h h LYS 51 CO 0.14 0.37 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.53 2k8h h LEU 52 N 0.00 -0.20 -0.71 5.20 -0.00 -1.07 0.29 115.31 118.83 2k8h h LEU 52 Ca -0.00 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 57.54 2k8h h LEU 52 Cb 0.74 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 2k8h h LEU 52 CO 0.05 0.10 -0.61 0.16 -0.00 0.00 0.00 178.44 178.14 2k8h h ILE 53 N -0.51 1.41 -0.21 1.22 3.07 -1.16 -0.89 117.51 120.44 2k8h h ILE 53 Ca -0.02 -2.04 -0.19 0.00 1.55 0.00 0.00 64.86 64.16 2k8h h ILE 53 Cb 0.39 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2k8h h ILE 53 CO 0.04 0.59 -0.60 -0.78 -1.05 0.00 0.00 178.15 176.36 2k8h h ASP 54 N 0.09 0.88 0.03 2.16 3.58 -1.11 -0.87 116.42 121.19 2k8h h ASP 54 Ca -0.01 -0.58 -0.22 0.00 0.42 0.00 0.00 57.03 56.64 2k8h h ASP 54 Cb 1.10 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.90 2k8h h ASP 54 CO 0.09 1.31 -0.84 0.74 -2.88 0.00 0.00 179.24 177.66 2k8h h THR 55 N 0.50 1.31 -0.26 2.25 2.02 -0.38 -0.98 112.91 117.37 2k8h h THR 55 Ca -0.02 -2.11 -0.11 0.00 0.77 0.00 0.00 66.41 64.94 2k8h h THR 55 Cb 1.22 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2k8h h THR 55 CO 0.13 0.65 -0.28 0.22 0.37 0.00 0.00 175.52 176.61 2k8h h TYR 56 N 0.42 0.79 -0.21 3.16 5.03 -1.20 -0.15 116.97 124.81 2k8h h TYR 56 Ca -0.06 -0.24 -0.09 0.00 2.58 0.00 0.00 58.73 60.91 2k8h h TYR 56 Cb 1.46 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.57 2k8h h TYR 56 CO 0.08 0.97 -0.23 0.00 -1.32 0.00 0.00 178.16 177.66 2k8h h LYS 58 N 0.20 0.92 -0.20 0.00 1.57 -1.21 -0.64 116.57 117.22 2k8h h LYS 58 Ca 0.03 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2k8h h LYS 58 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2k8h h LYS 58 CO 0.06 0.90 0.00 0.87 -0.57 0.00 0.00 179.45 180.71 2k8h h LYS 59 N 0.81 0.34 0.00 3.15 1.79 -1.02 -2.58 116.57 119.05 2k8h h LYS 59 Ca 0.16 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2k8h h LYS 59 Cb 0.44 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2k8h h LYS 59 CO 0.02 0.54 0.00 0.37 -1.08 0.00 0.00 179.45 179.30 2k8h h GLN 60 N 0.10 0.00 0.00 3.15 4.15 -1.12 -3.46 115.11 117.94 2k8h h GLN 60 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k8h h GLN 60 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.32 2k8h n GLY 61 N -0.79 0.65 2.91 2.39 0.00 -0.82 -5.07 105.19 104.47 2k8h n GLY 61 Ca -0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2k8h n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8h s ILE 62 N -2.00 -0.02 1.25 -0.61 -5.25 -0.31 -5.04 121.20 109.23 2k8h s ILE 62 Ca 0.00 0.06 -0.16 0.00 -0.99 0.00 0.00 60.65 59.56 2k8h s ILE 62 Cb 0.00 -0.12 0.29 0.00 2.95 0.00 0.00 42.46 45.58 2k8h s ILE 62 CO 0.00 0.03 0.81 -1.20 -1.79 0.00 0.00 174.94 172.79 2k8h n SER 63 N 3.40 -2.57 -2.42 4.36 7.64 -1.26 -4.13 113.62 118.63 2k8h n SER 63 Ca -0.17 -0.37 -0.22 0.00 1.01 0.00 0.00 58.87 59.12 2k8h n SER 63 Cb 0.57 -1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 2k8h n SER 63 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k8h n ARG 64 N -4.72 2.52 -2.69 1.43 3.00 -1.26 -4.24 116.66 110.70 2k8h n ARG 64 Ca 0.05 -1.82 -0.06 0.00 -0.01 0.00 0.00 57.85 56.01 2k8h n ARG 64 Cb 0.56 -2.18 0.04 0.00 0.00 0.00 0.00 32.46 30.88 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2k8h n ASN 65 N 1.92 2.02 -1.25 0.55 4.13 -1.26 -4.82 115.26 116.56 2k8h n ASN 65 Ca 0.50 -2.48 -0.01 0.00 1.68 0.00 0.00 54.58 54.27 2k8h n ASN 65 Cb 0.66 -0.48 0.01 0.00 -1.54 0.00 0.00 39.78 38.43 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k8h n SER 66 N -0.45 -0.33 -3.64 6.41 2.88 -1.26 -4.90 113.62 112.34 2k8h n SER 66 Ca 0.13 -0.94 -0.08 0.00 -1.33 0.00 0.00 58.87 56.65 2k8h n SER 66 Cb 0.82 0.13 -0.09 0.00 -0.75 0.00 0.00 64.21 64.32 2k8h n SER 66 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2k8h s VAL 67 N 0.02 -0.69 -0.43 2.46 -7.23 -1.26 -4.84 120.40 108.42 2k8h s VAL 67 Ca 0.01 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 2k8h s VAL 67 Cb 0.06 -0.71 0.03 0.00 0.56 0.00 0.00 36.38 36.31 2k8h s VAL 67 CO -0.02 0.05 0.49 -0.13 -0.31 0.00 0.00 175.10 175.18 2k8h s ARG 68 N 2.65 3.12 -0.49 4.82 0.52 -0.48 -4.94 118.95 124.15 2k8h s ARG 68 Ca -0.01 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 54.31 2k8h s ARG 68 Cb -0.12 -3.98 0.07 0.00 0.52 0.00 0.00 34.95 31.44 2k8h s ARG 68 CO -0.14 -0.92 0.47 -0.06 0.02 0.00 0.00 175.30 174.68 2k8h s PHE 69 N 2.28 3.19 0.21 -0.53 0.40 -1.26 -1.39 117.98 120.88 2k8h s PHE 69 Ca 0.14 -0.86 0.10 0.00 -0.60 0.00 0.00 56.93 55.70 2k8h s PHE 69 Cb -0.17 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 39.98 2k8h s PHE 69 CO 0.14 -0.89 -0.10 -0.48 0.70 0.00 0.00 175.22 174.60 2k8h s LEU 70 N 1.91 2.93 -0.25 -0.37 0.05 -1.22 -0.81 118.68 120.92 2k8h s LEU 70 Ca 0.07 -0.67 -0.01 0.00 0.05 0.00 0.00 54.13 53.57 2k8h s LEU 70 Cb -0.23 -1.57 0.08 0.00 -2.05 0.00 0.00 46.19 42.42 2k8h s LEU 70 CO 0.08 0.07 0.05 0.12 -0.55 0.00 0.00 176.35 176.12 2k8h s PHE 71 N -1.93 1.62 -1.83 3.48 5.36 -0.23 -1.15 117.98 123.30 2k8h s PHE 71 Ca 0.27 -1.44 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 2k8h s PHE 71 Cb -0.08 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 41.15 2k8h s PHE 71 CO 0.16 -0.76 0.00 -3.47 -1.46 0.00 0.00 175.22 169.69 2k8h n ASP 72 N 4.88 -5.21 0.00 6.13 2.03 -1.26 -1.11 116.55 122.01 2k8h n ASP 72 Ca -0.06 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2k8h n ASP 72 Cb 0.44 -4.50 0.00 0.00 -0.72 0.00 0.00 41.12 36.34 2k8h n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8h n GLY 73 N -0.64 1.02 3.16 0.27 0.00 -1.26 -5.06 105.19 102.69 2k8h n GLY 73 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2k8h n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 74 N -2.00 4.38 -0.88 2.61 2.01 -0.27 -5.02 115.64 116.47 2k8h s THR 74 Ca 0.00 -3.02 -0.25 0.00 0.31 0.00 0.00 61.69 58.74 2k8h s THR 74 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2k8h s THR 74 CO 0.00 -0.96 1.94 -2.16 -0.69 0.00 0.00 174.62 172.75 2k8h s PRO 75 N -0.28 2.56 -0.15 4.92 0.04 -1.26 -1.07 135.00 139.76 2k8h s PRO 75 Ca 0.19 -0.24 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 2k8h s PRO 75 Cb -0.15 -5.02 0.04 0.00 0.04 0.00 0.00 34.50 29.41 2k8h s PRO 75 CO -0.06 -3.34 0.39 0.42 0.04 0.00 0.00 177.00 174.45 2k8h s ILE 76 N 10.02 -0.01 -0.74 0.56 1.01 0.00 -4.92 121.20 127.12 2k8h s ILE 76 Ca 0.70 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.31 2k8h s ILE 76 Cb -0.07 -0.56 0.19 0.00 0.01 0.00 0.00 42.46 42.04 2k8h s ILE 76 CO 0.01 0.01 0.61 1.51 0.00 0.00 0.00 174.94 177.07 2k8h s ASP 77 N 0.49 5.85 -0.09 3.58 1.47 -1.26 -4.60 116.67 122.11 2k8h s ASP 77 Ca -0.02 -2.96 -0.32 0.00 1.18 0.00 0.00 52.55 50.43 2k8h s ASP 77 Cb -0.04 -1.98 0.14 0.00 -0.34 0.00 0.00 42.92 40.70 2k8h s ASP 77 CO -0.03 -0.40 1.42 -1.83 0.68 0.00 0.00 175.17 175.02 2k8h s GLU 78 N -0.22 0.03 -0.28 2.11 -1.05 -1.26 -4.94 118.70 113.09 2k8h s GLU 78 Ca 0.19 -0.02 0.08 0.00 -0.15 0.00 0.00 54.97 55.08 2k8h s GLU 78 Cb -0.15 0.01 0.45 0.00 -0.44 0.00 0.00 34.13 34.00 2k8h s GLU 78 CO -0.06 -0.02 1.31 2.41 0.95 0.00 0.00 175.26 179.85 2k8h n THR 79 N -0.61 2.47 0.01 1.83 -1.04 -1.26 -4.49 114.28 111.19 2k8h n THR 79 Ca -0.06 -3.46 0.00 0.00 -2.04 0.00 0.00 64.05 58.49 2k8h n THR 79 Cb 0.63 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 2k8h n THR 79 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k8h n LYS 80 N -0.97 0.00 0.42 -2.82 4.76 -1.26 -4.41 118.16 113.88 2k8h n LYS 80 Ca 0.33 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.60 2k8h n LYS 80 Cb 0.86 -0.47 -0.08 0.00 -1.84 0.00 0.00 35.03 33.50 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2k8h h THR 81 N 0.00 0.00 0.00 -0.18 1.35 -2.00 -1.30 112.91 110.78 2k8h h THR 81 Ca 0.00 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2k8h h THR 81 Cb 0.73 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 2k8h h THR 81 CO 0.00 0.00 -0.00 1.55 -0.25 0.00 0.00 175.52 176.82 2k8h h PRO 82 N -1.25 0.00 -0.00 4.72 0.13 -1.89 -0.91 132.00 132.79 2k8h h PRO 82 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2k8h h PRO 82 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2k8h h PRO 82 CO 0.18 0.00 -0.04 1.49 -0.23 0.00 0.00 178.00 179.41 2k8h h GLU 83 N 0.00 0.03 -0.01 0.86 4.81 -1.75 -0.08 114.58 118.44 2k8h h GLU 83 Ca -0.00 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 2k8h h GLU 83 Cb 0.49 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k8h h GLU 83 CO 0.00 0.79 -0.85 1.05 -0.73 0.00 0.00 179.01 179.26 2k8h h GLU 84 N -0.72 0.25 0.01 1.92 -0.00 -1.20 0.24 114.58 115.07 2k8h h GLU 84 Ca -0.00 -0.26 -0.21 0.00 -0.00 0.00 0.00 59.36 58.89 2k8h h GLU 84 Cb 0.80 0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 29.61 2k8h h GLU 84 CO 0.01 0.96 -0.91 1.25 -0.00 0.00 0.00 179.01 180.32 2k8h h LEU 85 N 0.14 0.38 0.00 3.06 5.85 -1.27 -3.38 115.31 120.09 2k8h h LEU 85 Ca -0.05 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2k8h h LEU 85 Cb 1.47 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2k8h h LEU 85 CO 0.13 1.11 -0.50 0.61 -0.34 0.00 0.00 178.44 179.46 2k8h n GLY 86 N 0.92 -0.94 2.37 3.75 0.00 -0.04 -4.98 105.19 106.27 2k8h n GLY 86 Ca -0.05 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2k8h n GLY 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k8h n MET 87 N -4.54 -1.58 -4.29 1.61 2.81 0.85 -4.99 117.12 106.98 2k8h n MET 87 Ca -0.07 0.87 -0.21 0.00 -1.81 0.00 0.00 57.70 56.47 2k8h n MET 87 Cb 0.26 -5.37 -0.12 0.00 -0.71 0.00 0.00 33.22 27.28 2k8h n MET 87 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2k8h s GLU 88 N -4.93 1.16 -0.00 0.03 -1.05 -1.26 -5.02 118.70 107.62 2k8h s GLU 88 Ca 0.01 -1.28 0.07 0.00 -0.15 0.00 0.00 54.97 53.62 2k8h s GLU 88 Cb -0.01 -1.23 0.22 0.00 -0.44 0.00 0.00 34.13 32.67 2k8h s GLU 88 CO 0.02 0.26 1.17 -0.40 0.95 0.00 0.00 175.26 177.26 2k8h n ASP 89 N 0.60 1.35 -2.24 0.83 5.68 -1.26 -3.91 116.55 117.60 2k8h n ASP 89 Ca -0.16 -2.01 -0.27 0.00 -0.50 0.00 0.00 54.79 51.85 2k8h n ASP 89 Cb 0.56 -0.18 0.02 0.00 -1.14 0.00 0.00 41.12 40.39 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2k8h n ASP 90 N 0.22 5.45 -4.65 -1.12 8.00 -1.22 -0.85 116.55 122.37 2k8h n ASP 90 Ca 0.08 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.40 2k8h n ASP 90 Cb 0.22 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8h s ASP 91 N -3.16 6.81 0.08 -2.24 2.15 -0.70 -4.93 116.67 114.67 2k8h s ASP 91 Ca 0.52 1.46 0.04 0.00 0.43 0.00 0.00 52.55 55.00 2k8h s ASP 91 Cb 0.42 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 2k8h s ASP 91 CO -0.06 -0.92 0.01 0.68 -0.17 0.00 0.00 175.17 174.72 2k8h s VAL 92 N 3.94 4.10 -0.16 1.11 -7.23 -1.26 -1.16 120.40 119.73 2k8h s VAL 92 Ca 0.55 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2k8h s VAL 92 Cb -0.19 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 33.86 2k8h s VAL 92 CO 0.19 0.14 0.04 -0.63 -0.31 0.00 0.00 175.10 174.53 2k8h s ILE 93 N -1.30 0.39 -0.56 -0.62 -1.09 -0.55 -4.29 121.20 113.18 2k8h s ILE 93 Ca 0.26 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 58.14 2k8h s ILE 93 Cb -0.12 -0.85 0.08 0.00 -1.58 0.00 0.00 42.46 39.99 2k8h s ILE 93 CO 0.18 -0.12 0.70 -1.81 -1.23 0.00 0.00 174.94 172.66 2k8h s ASP 94 N 1.93 6.20 -0.18 3.58 1.01 -0.30 -1.30 116.67 127.61 2k8h s ASP 94 Ca 0.01 -1.15 -0.29 0.00 0.71 0.00 0.00 52.55 51.83 2k8h s ASP 94 Cb -0.16 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 2k8h s ASP 94 CO -0.07 -1.05 1.30 0.00 0.21 0.00 0.00 175.17 175.55 2k8h s ALA 95 N 2.81 3.62 0.17 5.23 0.00 -0.44 -3.43 121.76 129.72 2k8h s ALA 95 Ca 0.14 0.44 0.10 0.00 0.00 0.00 0.00 51.96 52.64 2k8h s ALA 95 Cb -0.21 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 2k8h s ALA 95 CO 0.09 -1.28 -0.21 -1.64 0.00 0.00 0.00 175.76 172.72 2k8h s MET 96 N 3.64 1.35 -0.15 0.00 -1.94 -0.49 -4.15 119.30 117.56 2k8h s MET 96 Ca 0.56 -1.42 -0.08 0.00 -1.71 0.00 0.00 55.69 53.04 2k8h s MET 96 Cb -0.22 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 2k8h s MET 96 CO 0.17 0.33 0.14 0.08 -0.01 0.00 0.00 175.02 175.73 2k8h s VAL 97 N -1.76 5.46 -0.16 -6.03 1.01 -1.26 -1.38 120.40 116.27 2k8h s VAL 97 Ca 0.16 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2k8h s VAL 97 Cb -0.07 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2k8h s VAL 97 CO 0.07 0.55 -0.06 -0.70 0.00 0.00 0.00 175.10 174.96 2k8h s GLU 98 N -0.47 1.53 0.48 2.72 2.12 -1.26 -5.03 118.70 118.80 2k8h s GLU 98 Ca 0.13 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.93 2k8h s GLU 98 Cb -0.12 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.26 2k8h s GLU 98 CO 0.02 -0.41 0.00 0.94 -0.54 0.00 0.00 175.26 175.27 2k8h n GLN 99 N 4.86 -3.04 -0.72 4.30 7.27 -1.26 -4.83 117.38 123.95 2k8h n GLN 99 Ca -0.12 2.29 -0.32 0.00 0.07 0.00 0.00 57.00 58.91 2k8h n GLN 99 Cb 0.48 -3.62 0.15 0.00 2.41 0.00 0.00 30.24 29.66 2k8h n GLN 99 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2k8h n THR 100 N -4.25 0.00 -3.44 1.69 5.66 -1.26 -5.04 114.28 107.64 2k8h n THR 100 Ca -0.04 -0.14 0.01 0.00 -3.05 0.00 0.00 64.05 60.83 2k8h n THR 100 Cb 0.65 -0.78 -0.04 0.00 -1.55 0.00 0.00 70.33 68.62 2k8h n THR 100 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2k8h s GLY 101 N -2.26 -0.45 0.00 1.09 0.00 -1.26 -5.08 107.32 99.37 2k8h s GLY 101 Ca 0.61 2.70 0.18 0.00 0.00 0.00 0.00 44.72 48.21 2k8h s GLY 101 CO 0.64 3.24 1.07 0.61 0.00 0.00 0.00 173.10 178.66