#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h s SER 2 N 0.00 2.93 -0.22 7.83 1.04 -1.26 -5.11 113.70 118.91 2k8h s SER 2 Ca 0.00 -0.52 -0.28 0.00 0.48 0.00 0.00 55.95 55.64 2k8h s SER 2 Cb 0.00 -1.19 0.13 0.00 0.10 0.00 0.00 66.02 65.07 2k8h s SER 2 CO 0.00 0.17 1.06 0.54 0.98 0.00 0.00 173.24 175.99 2k8h s ASN 3 N 0.23 -0.36 -0.12 7.02 2.20 -1.26 -5.16 114.94 117.49 2k8h s ASN 3 Ca -0.14 0.54 -0.01 0.00 -0.94 0.00 0.00 52.86 52.31 2k8h s ASN 3 Cb -0.16 0.50 -0.02 0.00 -2.00 0.00 0.00 41.25 39.56 2k8h s ASN 3 CO 0.07 -0.23 -0.10 0.20 -2.94 0.00 0.00 177.10 174.10 2k8h s ASN 4 N -0.50 4.29 1.04 3.54 -0.87 -1.26 -5.12 114.94 116.06 2k8h s ASN 4 Ca 0.01 -0.23 -0.05 0.00 -1.57 0.00 0.00 52.86 51.02 2k8h s ASN 4 Cb -0.03 -1.55 0.07 0.00 -0.02 0.00 0.00 41.25 39.72 2k8h s ASN 4 CO -0.03 0.20 0.29 0.61 -2.57 0.00 0.00 177.10 175.60 2k8h n GLY 5 N 3.30 -2.11 2.88 0.66 0.00 -1.26 -5.08 105.19 103.59 2k8h n GLY 5 Ca -0.18 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 2k8h n GLY 5 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k8h s GLY 6 N -3.22 -0.36 0.28 -0.02 0.00 -1.26 -5.15 107.32 97.58 2k8h s GLY 6 Ca 0.18 0.66 0.11 0.00 0.00 0.00 0.00 44.72 45.66 2k8h s GLY 6 CO 0.13 2.65 -0.09 -0.54 0.00 0.00 0.00 173.10 175.26 2k8h s GLU 7 N 2.51 2.01 0.11 2.90 8.01 -1.26 -5.10 118.70 127.86 2k8h s GLU 7 Ca 0.11 -1.61 -0.31 0.00 0.01 0.00 0.00 54.97 53.18 2k8h s GLU 7 Cb -0.15 -1.97 -0.08 0.00 -4.31 0.00 0.00 34.13 27.63 2k8h s GLU 7 CO -0.18 0.32 1.36 -1.25 0.01 0.00 0.00 175.26 175.52 2k8h s PRO 8 N -3.61 4.33 -0.29 0.39 0.04 -1.26 -5.00 135.00 129.61 2k8h s PRO 8 Ca 0.31 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.42 2k8h s PRO 8 Cb -0.05 -3.27 0.19 0.00 0.04 0.00 0.00 34.50 31.41 2k8h s PRO 8 CO 0.18 -0.42 0.54 -1.12 0.04 0.00 0.00 177.00 176.22 2k8h s SER 9 N 1.11 -1.06 0.41 6.66 0.01 -1.26 -5.16 113.70 114.41 2k8h s SER 9 Ca 0.64 0.18 0.05 0.00 1.31 0.00 0.00 55.95 58.13 2k8h s SER 9 Cb -0.36 1.81 0.00 0.00 0.21 0.00 0.00 66.02 67.69 2k8h s SER 9 CO 0.30 -0.31 0.58 0.20 0.41 0.00 0.00 173.24 174.43 2k8h s ASN 10 N 2.76 5.76 -0.28 2.44 0.02 -1.26 -5.12 114.94 119.26 2k8h s ASN 10 Ca 0.12 -0.12 -0.15 0.00 -1.02 0.00 0.00 52.86 51.69 2k8h s ASN 10 Cb -0.12 -1.11 0.09 0.00 0.02 0.00 0.00 41.25 40.14 2k8h s ASN 10 CO -0.26 -0.67 0.71 0.54 0.02 0.00 0.00 177.10 177.44 2k8h s ASN 11 N -4.26 -0.94 -0.06 -1.22 2.20 -1.26 -5.05 114.94 104.34 2k8h s ASN 11 Ca 0.50 1.47 0.04 0.00 -0.94 0.00 0.00 52.86 53.93 2k8h s ASN 11 Cb -0.10 1.52 -0.25 0.00 -2.00 0.00 0.00 41.25 40.43 2k8h s ASN 11 CO 0.34 -0.23 0.59 1.23 -2.94 0.00 0.00 177.10 176.10 2k8h h GLY 12 N 7.09 0.14 0.00 0.45 0.00 -2.09 -3.46 103.07 105.20 2k8h h GLY 12 Ca -0.28 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2k8h h GLY 12 CO 0.15 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.61 2k8h n GLY 13 N 1.72 0.00 3.89 4.60 0.00 -1.26 -5.17 105.19 108.96 2k8h n GLY 13 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2k8h n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k8h s GLU 14 N 0.00 3.64 -0.09 1.61 2.12 -1.26 -5.09 118.70 119.62 2k8h s GLU 14 Ca 0.00 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 2k8h s GLU 14 Cb 0.00 -2.28 0.10 0.00 0.26 0.00 0.00 34.13 32.21 2k8h s GLU 14 CO 0.00 -0.28 0.85 0.20 -0.54 0.00 0.00 175.26 175.50 2k8h s GLY 15 N -3.86 -0.41 0.25 -1.50 0.00 -1.26 -5.17 107.32 95.36 2k8h s GLY 15 Ca 0.51 1.61 -0.19 0.00 0.00 0.00 0.00 44.72 46.65 2k8h s GLY 15 CO 0.44 0.90 0.62 0.00 0.00 0.00 0.00 173.10 175.06 2k8h s ALA 16 N -1.44 -1.02 -0.05 3.20 0.00 -1.26 -5.07 121.76 116.13 2k8h s ALA 16 Ca -0.04 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2k8h s ALA 16 Cb -0.00 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 2k8h s ALA 16 CO 0.03 -0.93 -0.00 0.39 0.00 0.00 0.00 175.76 175.25 2k8h n GLU 17 N -0.41 2.44 -1.97 0.00 -0.58 -1.26 -5.12 120.64 113.73 2k8h n GLU 17 Ca -0.06 0.01 -0.01 0.00 -0.42 0.00 0.00 57.16 56.68 2k8h n GLU 17 Cb 0.61 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 30.36 2k8h n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k8h n GLY 18 N 2.87 -4.82 3.08 0.62 0.00 -1.26 -5.09 105.19 100.58 2k8h n GLY 18 Ca -0.08 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2k8h n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8h s THR 19 N -0.41 0.19 0.45 2.61 -4.23 -1.26 -5.17 115.64 107.82 2k8h s THR 19 Ca -0.04 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2k8h s THR 19 Cb 0.00 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 2k8h s THR 19 CO 0.10 -0.88 0.34 0.00 -0.54 0.00 0.00 174.62 173.64 2k8h s LYS 21 N -4.13 0.64 0.26 0.00 -2.85 -1.26 -5.04 119.74 107.36 2k8h s LYS 21 Ca 0.43 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.52 2k8h s LYS 21 Cb -0.01 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.35 2k8h s LYS 21 CO 0.25 0.07 0.00 -1.91 0.10 0.00 0.00 175.35 173.86 2k8h n GLU 22 N 1.22 0.00 -1.12 1.78 2.13 -1.26 -5.14 120.64 118.25 2k8h n GLU 22 Ca -0.21 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.32 2k8h n GLU 22 Cb 0.55 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.44 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k8h s GLU 23 N -2.00 0.34 -0.06 5.31 0.41 -1.26 -5.06 118.70 116.38 2k8h s GLU 23 Ca 0.00 0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 55.10 2k8h s GLU 23 Cb 0.00 -1.72 0.03 0.00 -1.78 0.00 0.00 34.13 30.65 2k8h s GLU 23 CO 0.00 -2.80 0.02 0.95 -0.49 0.00 0.00 175.26 172.93 2k8h s THR 24 N -2.92 0.22 -0.01 3.63 -4.23 -1.26 -4.98 115.64 106.08 2k8h s THR 24 Ca 0.65 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 61.08 2k8h s THR 24 Cb -0.19 -0.39 0.10 0.00 1.34 0.00 0.00 72.50 73.36 2k8h s THR 24 CO 0.58 0.22 0.84 0.00 -0.54 0.00 0.00 174.62 175.72 2k8h s ALA 25 N 1.85 -1.80 -0.10 3.99 0.00 -1.26 -5.09 121.76 119.36 2k8h s ALA 25 Ca 0.02 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2k8h s ALA 25 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2k8h s ALA 25 CO -0.04 -0.61 -0.22 -0.51 0.00 0.00 0.00 175.76 174.38 2k8h s LEU 26 N -2.19 2.03 -0.02 0.00 1.43 -1.26 -2.66 118.68 116.01 2k8h s LEU 26 Ca 0.02 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2k8h s LEU 26 Cb -0.01 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2k8h s LEU 26 CO -0.06 0.13 -0.04 -0.69 0.23 0.00 0.00 176.35 175.92 2k8h s VAL 27 N 0.44 0.40 -0.03 -1.59 1.01 -0.46 -4.67 120.40 115.52 2k8h s VAL 27 Ca -0.17 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2k8h s VAL 27 Cb -0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2k8h s VAL 27 CO 0.07 0.16 0.49 0.00 0.00 0.00 0.00 175.10 175.82 2k8h s ALA 28 N 0.47 3.58 0.04 5.51 0.00 -0.06 -1.49 121.76 129.80 2k8h s ALA 28 Ca -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.86 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 0.27 -0.23 0.08 0.00 0.00 0.00 175.76 175.87 2k8h s VAL 29 N -0.41 2.40 -0.21 0.00 1.01 -0.47 -1.72 120.40 121.01 2k8h s VAL 29 Ca 0.26 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2k8h s VAL 29 Cb -0.17 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.31 2k8h s VAL 29 CO 0.14 0.38 0.01 -0.75 0.00 0.00 0.00 175.10 174.87 2k8h s LYS 30 N -1.26 0.95 -0.24 2.72 2.20 -0.36 -1.43 119.74 122.32 2k8h s LYS 30 Ca 0.13 -0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 55.00 2k8h s LYS 30 Cb -0.10 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 2k8h s LYS 30 CO 0.03 -0.62 0.33 0.54 -0.36 0.00 0.00 175.35 175.26 2k8h s VAL 31 N 1.72 5.23 0.12 4.02 0.11 -0.35 -1.47 120.40 129.77 2k8h s VAL 31 Ca -0.02 0.51 0.10 0.00 -2.93 0.00 0.00 61.98 59.63 2k8h s VAL 31 Cb -0.18 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2k8h s VAL 31 CO -0.07 0.23 -0.21 0.68 -3.33 0.00 0.00 175.10 172.40 2k8h s VAL 32 N 1.61 2.64 0.15 2.04 -7.23 -0.50 -1.42 120.40 117.69 2k8h s VAL 32 Ca 0.14 -1.58 0.10 0.00 -1.81 0.00 0.00 61.98 58.82 2k8h s VAL 32 Cb -0.15 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2k8h s VAL 32 CO 0.08 0.10 -0.22 0.21 -0.31 0.00 0.00 175.10 174.97 2k8h s ASN 33 N -2.10 2.96 0.53 4.85 2.47 -0.50 -1.34 114.94 121.81 2k8h s ASN 33 Ca 0.16 -0.80 0.28 0.00 0.42 0.00 0.00 52.86 52.92 2k8h s ASN 33 Cb -0.10 -0.19 1.46 0.00 -1.45 0.00 0.00 41.25 40.97 2k8h s ASN 33 CO 0.09 0.07 2.08 0.00 -3.72 0.00 0.00 177.10 175.61 2k8h h ALA 34 N 3.53 1.28 0.00 1.71 0.00 -1.88 -1.85 119.26 122.06 2k8h h ALA 34 Ca -0.46 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2k8h h ALA 34 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k8h h ALA 34 CO 0.45 0.14 -0.50 0.22 0.00 0.00 0.00 179.25 179.56 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.58 -1.95 -3.48 116.42 114.57 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8h h ASP 35 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2k8h h ASP 35 CO 0.01 0.50 0.00 0.61 -2.88 0.00 0.00 179.24 177.49 2k8h n GLY 36 N 1.18 2.91 3.69 -0.78 0.00 -0.69 -5.09 105.19 106.40 2k8h n GLY 36 Ca 0.02 -0.65 -0.52 0.00 0.00 0.00 0.00 46.02 44.87 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 0.36 -3.06 4.61 0.00 -1.26 -4.55 120.51 116.61 2k8h n ALA 37 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 2k8h n ALA 37 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.05 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 3.47 1.06 -0.14 0.00 -1.05 -1.26 -1.41 118.70 119.37 2k8h s GLU 38 Ca 0.94 -0.62 -0.30 0.00 -0.15 0.00 0.00 54.97 54.84 2k8h s GLU 38 Cb -0.86 0.47 0.10 0.00 -0.44 0.00 0.00 34.13 33.40 2k8h s GLU 38 CO 0.56 -0.41 0.88 0.00 0.95 0.00 0.00 175.26 177.24 2k8h s MET 39 N -3.55 0.76 0.08 -4.83 0.23 -0.50 -5.01 119.30 106.48 2k8h s MET 39 Ca 0.01 0.27 0.06 0.00 -1.03 0.00 0.00 55.69 55.00 2k8h s MET 39 Cb 0.01 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 2k8h s MET 39 CO -0.10 -0.22 -0.17 -0.59 -2.03 0.00 0.00 175.02 171.91 2k8h s PHE 40 N -0.95 1.45 -0.04 3.16 -0.71 -1.26 -1.21 117.98 118.42 2k8h s PHE 40 Ca -0.04 -0.43 -0.30 0.00 -1.04 0.00 0.00 56.93 55.11 2k8h s PHE 40 Cb -0.01 -0.81 0.07 0.00 -1.21 0.00 0.00 43.02 41.06 2k8h s PHE 40 CO 0.04 0.11 0.66 0.12 -1.34 0.00 0.00 175.22 174.81 2k8h s PHE 41 N -1.19 -0.63 -0.18 3.49 2.19 -0.51 -5.00 117.98 116.15 2k8h s PHE 41 Ca 0.02 1.06 -0.18 0.00 0.33 0.00 0.00 56.93 58.15 2k8h s PHE 41 Cb -0.10 0.40 -0.03 0.00 -1.31 0.00 0.00 43.02 41.97 2k8h s PHE 41 CO 0.03 -0.60 0.51 0.50 1.83 0.00 0.00 175.22 177.48 2k8h s ARG 42 N -1.28 4.22 0.02 10.12 3.52 -1.26 -1.37 118.95 132.92 2k8h s ARG 42 Ca -0.11 0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.82 2k8h s ARG 42 Cb -0.00 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2k8h s ARG 42 CO 0.09 -0.09 0.19 0.42 -0.81 0.00 0.00 175.30 175.10 2k8h s ILE 43 N 1.44 0.09 0.21 4.11 1.01 -0.55 -4.98 121.20 122.54 2k8h s ILE 43 Ca 0.24 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.80 2k8h s ILE 43 Cb -0.15 -0.71 -0.14 0.00 0.01 0.00 0.00 42.46 41.46 2k8h s ILE 43 CO 0.10 -0.43 1.40 1.17 0.00 0.00 0.00 174.94 177.18 2k8h n LYS 44 N 1.02 1.89 -0.04 2.79 3.00 -1.26 -1.35 118.16 124.21 2k8h n LYS 44 Ca -0.21 0.68 0.19 0.00 -0.00 0.00 0.00 58.31 58.97 2k8h n LYS 44 Cb 0.57 -2.33 0.65 0.00 0.00 0.00 0.00 35.03 33.92 2k8h n LYS 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2k8h h SER 45 N 4.41 0.08 -0.08 3.14 4.64 -1.78 0.16 113.55 124.11 2k8h h SER 45 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2k8h h SER 45 Cb 1.28 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2k8h h SER 45 CO 0.77 0.04 0.16 0.03 -0.87 0.00 0.00 176.83 176.97 2k8h h ARG 46 N 0.09 0.00 -0.79 4.77 2.47 -1.85 -3.37 114.38 115.71 2k8h h ARG 46 Ca 0.28 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.04 2k8h h ARG 46 Cb 0.98 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.10 2k8h h ARG 46 CO -0.03 0.00 -0.32 0.95 0.56 0.00 0.00 179.97 181.14 2k8h s THR 47 N -4.40 -0.79 0.08 2.04 -4.23 0.55 -4.90 115.64 103.99 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 0.13 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.55 2k8h s THR 47 CO 0.46 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 2k8h n ALA 48 N 4.82 3.00 0.20 3.99 0.00 -1.19 -4.24 120.51 127.08 2k8h n ALA 48 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 2k8h n ALA 48 Cb 0.57 0.22 0.43 0.00 0.00 0.00 0.00 19.45 20.67 2k8h n ALA 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k8h h LEU 49 N 0.00 0.00 0.08 0.00 7.12 -1.90 -0.20 115.31 120.42 2k8h h LEU 49 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 2k8h h LEU 49 Cb 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2k8h h LEU 49 CO 0.00 0.29 -0.04 0.11 -0.13 0.00 0.00 178.44 178.67 2k8h h LYS 50 N 0.00 -0.11 0.00 1.25 1.79 -1.87 -0.93 116.57 116.70 2k8h h LYS 50 Ca -0.00 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2k8h h LYS 50 Cb 0.54 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2k8h h LYS 50 CO 0.04 0.17 -0.54 -0.22 -1.08 0.00 0.00 179.45 177.82 2k8h h LYS 51 N -0.39 0.00 0.15 3.15 1.63 -1.81 -0.76 116.57 118.54 2k8h h LYS 51 Ca -0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2k8h h LYS 51 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2k8h h LYS 51 CO 0.02 0.54 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.42 2k8h h LEU 52 N 0.00 -0.17 -0.68 5.20 -0.00 -0.94 -0.83 115.31 117.89 2k8h h LEU 52 Ca -0.01 -0.28 -0.14 0.00 -0.00 0.00 0.00 57.88 57.46 2k8h h LEU 52 Cb 1.04 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 2k8h h LEU 52 CO 0.07 0.20 -0.62 -0.29 -0.00 0.00 0.00 178.44 177.80 2k8h h ILE 53 N -0.57 1.41 -0.13 1.22 2.10 -1.20 -0.39 117.51 119.96 2k8h h ILE 53 Ca -0.02 -2.06 -0.02 0.00 1.08 0.00 0.00 64.86 63.83 2k8h h ILE 53 Cb 0.44 2.08 -0.00 0.00 -1.09 0.00 0.00 36.82 38.24 2k8h h ILE 53 CO 0.03 0.60 -0.01 -0.78 -1.08 0.00 0.00 178.15 176.92 2k8h h ASP 54 N 0.10 0.23 0.56 2.19 3.58 -1.13 -1.18 116.42 120.77 2k8h h ASP 54 Ca -0.01 -0.32 -0.18 0.00 0.42 0.00 0.00 57.03 56.94 2k8h h ASP 54 Cb 1.12 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2k8h h ASP 54 CO 0.09 0.50 -0.81 0.00 -2.88 0.00 0.00 179.24 176.14 2k8h h THR 55 N -0.04 1.48 0.08 2.25 1.03 -1.16 -1.33 112.91 115.21 2k8h h THR 55 Ca 0.04 -2.49 -0.00 0.00 -0.01 0.00 0.00 66.41 63.95 2k8h h THR 55 Cb 0.38 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.83 2k8h h THR 55 CO 0.01 0.72 -0.04 0.22 -0.01 0.00 0.00 175.52 176.43 2k8h h TYR 56 N 0.11 -0.09 -0.13 0.00 5.03 -1.03 0.32 116.97 121.18 2k8h h TYR 56 Ca -0.03 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.21 2k8h h TYR 56 Cb 1.41 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.72 2k8h h TYR 56 CO 0.02 0.18 -0.16 0.00 -1.32 0.00 0.00 178.16 176.89 2k8h h LYS 58 N -0.06 0.50 -0.17 0.00 3.64 -1.28 -0.27 116.57 118.93 2k8h h LYS 58 Ca 0.02 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2k8h h LYS 58 Cb 0.71 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2k8h h LYS 58 CO 0.04 0.33 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.33 2k8h h LYS 59 N 0.52 0.31 0.00 1.90 3.64 -0.95 -2.59 116.57 119.40 2k8h h LYS 59 Ca 0.21 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2k8h h LYS 59 Cb 0.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k8h h LYS 59 CO -0.13 0.53 0.00 0.37 -2.27 0.00 0.00 179.45 177.95 2k8h h GLN 60 N 0.05 0.00 -0.40 1.90 4.15 -0.92 -3.46 115.11 116.44 2k8h h GLN 60 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 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 -0.98 0.77 2.96 2.39 0.00 -0.31 -5.07 105.19 104.96 2k8h n GLY 61 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.40 -0.02 1.25 -0.61 -4.36 -0.27 -5.04 121.20 109.76 2k8h s ILE 62 Ca 0.00 0.09 -0.16 0.00 -0.26 0.00 0.00 60.65 60.31 2k8h s ILE 62 Cb 0.00 -0.21 0.30 0.00 1.25 0.00 0.00 42.46 43.80 2k8h s ILE 62 CO 0.00 0.04 0.83 -1.20 0.24 0.00 0.00 174.94 174.84 2k8h n SER 63 N 3.59 -2.55 -2.46 4.36 7.64 -1.26 -4.06 113.62 118.88 2k8h n SER 63 Ca -0.19 -0.37 -0.23 0.00 1.01 0.00 0.00 58.87 59.09 2k8h n SER 63 Cb 0.56 -1.13 -0.09 0.00 -1.01 0.00 0.00 64.21 62.53 2k8h n SER 63 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k8h n ARG 64 N -4.76 2.55 -2.48 1.43 0.63 -1.26 -4.09 116.66 108.69 2k8h n ARG 64 Ca 0.05 -1.93 0.00 0.00 -0.92 0.00 0.00 57.85 55.05 2k8h n ARG 64 Cb 0.56 -2.18 0.05 0.00 0.45 0.00 0.00 32.46 31.34 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2k8h n ASN 65 N 1.77 0.89 -0.70 6.15 3.02 -1.26 -4.84 115.26 120.28 2k8h n ASN 65 Ca 0.50 -2.05 -0.02 0.00 -0.03 0.00 0.00 54.58 52.98 2k8h n ASN 65 Cb 0.64 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k8h n SER 66 N -0.51 -0.32 -3.63 6.41 2.88 -1.26 -5.10 113.62 112.10 2k8h n SER 66 Ca 0.01 -1.43 -0.05 0.00 -1.33 0.00 0.00 58.87 56.08 2k8h n SER 66 Cb 0.87 0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 64.35 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 0.00 -0.80 -0.40 2.46 -7.23 -1.26 -4.77 120.40 108.40 2k8h s VAL 67 Ca 0.01 0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 60.13 2k8h s VAL 67 Cb 0.01 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.16 2k8h s VAL 67 CO -0.01 0.03 0.26 -0.60 -0.31 0.00 0.00 175.10 174.48 2k8h s ARG 68 N 2.74 2.90 -0.37 4.82 3.52 -0.53 -4.87 118.95 127.15 2k8h s ARG 68 Ca -0.02 -1.07 -0.22 0.00 -0.13 0.00 0.00 55.73 54.29 2k8h s ARG 68 Cb -0.12 -3.88 0.01 0.00 -1.56 0.00 0.00 34.95 29.40 2k8h s ARG 68 CO -0.16 -0.75 0.72 -0.06 -0.81 0.00 0.00 175.30 174.25 2k8h s PHE 69 N 1.62 3.11 0.15 5.12 0.40 -1.25 -1.34 117.98 125.79 2k8h s PHE 69 Ca 0.04 0.42 0.10 0.00 -0.60 0.00 0.00 56.93 56.88 2k8h s PHE 69 Cb -0.19 -3.32 -0.04 0.00 0.51 0.00 0.00 43.02 39.98 2k8h s PHE 69 CO 0.08 -0.72 -0.24 -0.48 0.70 0.00 0.00 175.22 174.57 2k8h s LEU 70 N 2.95 2.37 -0.32 -0.37 0.05 -0.70 -0.98 118.68 121.67 2k8h s LEU 70 Ca 0.28 -0.79 0.04 0.00 0.05 0.00 0.00 54.13 53.71 2k8h s LEU 70 Cb -0.14 -1.07 0.09 0.00 -2.05 0.00 0.00 46.19 43.02 2k8h s LEU 70 CO 0.17 0.10 0.02 0.12 -0.55 0.00 0.00 176.35 176.21 2k8h s PHE 71 N -1.40 3.65 -1.44 3.48 5.36 -0.24 -1.36 117.98 126.02 2k8h s PHE 71 Ca 0.15 -2.84 0.00 0.00 -0.96 0.00 0.00 56.93 53.27 2k8h s PHE 71 Cb -0.09 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.88 2k8h s PHE 71 CO 0.07 -0.93 0.00 -3.47 -1.46 0.00 0.00 175.22 169.42 2k8h n ASP 72 N 4.30 -4.48 0.00 6.13 2.03 -1.26 -0.98 116.55 122.29 2k8h n ASP 72 Ca -0.00 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2k8h n ASP 72 Cb 0.42 -3.87 0.00 0.00 -0.72 0.00 0.00 41.12 36.95 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 -0.69 1.13 3.14 0.27 0.00 -1.26 -5.06 105.19 102.73 2k8h n GLY 73 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 4.41 -0.68 2.61 2.01 -0.15 -5.03 115.64 116.81 2k8h s THR 74 Ca 0.00 -3.48 -0.26 0.00 0.31 0.00 0.00 61.69 58.26 2k8h s THR 74 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2k8h s THR 74 CO 0.00 -1.03 1.88 -2.16 -0.69 0.00 0.00 174.62 172.62 2k8h s PRO 75 N -0.87 2.61 -0.07 4.92 0.04 -1.26 -1.08 135.00 139.28 2k8h s PRO 75 Ca 0.24 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 61.57 2k8h s PRO 75 Cb -0.11 -4.56 0.02 0.00 0.04 0.00 0.00 34.50 29.89 2k8h s PRO 75 CO -0.09 -2.89 0.26 0.42 0.04 0.00 0.00 177.00 174.73 2k8h s ILE 76 N 9.33 0.02 -0.49 0.56 -1.09 -0.15 -4.94 121.20 124.43 2k8h s ILE 76 Ca 0.68 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 2k8h s ILE 76 Cb -0.11 -0.42 0.13 0.00 -1.58 0.00 0.00 42.46 40.47 2k8h s ILE 76 CO 0.15 -0.09 0.24 1.51 -1.23 0.00 0.00 174.94 175.52 2k8h s ASP 77 N -0.31 4.29 -0.12 3.58 1.47 -1.26 -4.62 116.67 119.69 2k8h s ASP 77 Ca -0.04 -2.89 -0.34 0.00 1.18 0.00 0.00 52.55 50.46 2k8h s ASP 77 Cb -0.03 -1.57 0.14 0.00 -0.34 0.00 0.00 42.92 41.12 2k8h s ASP 77 CO 0.01 -0.25 1.35 -1.61 0.68 0.00 0.00 175.17 175.35 2k8h s GLU 78 N -0.10 0.17 -0.17 2.11 2.02 -1.26 -5.02 118.70 116.45 2k8h s GLU 78 Ca 0.16 -0.09 0.16 0.00 0.02 0.00 0.00 54.97 55.22 2k8h s GLU 78 Cb -0.25 0.07 0.60 0.00 0.10 0.00 0.00 34.13 34.64 2k8h s GLU 78 CO -0.01 -0.08 1.50 -2.37 0.02 0.00 0.00 175.26 174.33 2k8h n THR 79 N -0.34 2.24 0.00 3.63 5.66 -1.26 -4.40 114.28 119.80 2k8h n THR 79 Ca -0.05 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.32 2k8h n THR 79 Cb 0.61 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 2k8h n THR 79 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k8h n LYS 80 N 0.00 0.00 0.35 1.09 4.01 -1.26 -4.39 118.16 117.96 2k8h n LYS 80 Ca 0.22 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.89 2k8h n LYS 80 Cb 0.92 -0.97 -0.07 0.00 -0.51 0.00 0.00 35.03 34.41 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2k8h h THR 81 N 0.00 0.00 0.00 -0.18 1.35 -1.97 -1.33 112.91 110.78 2k8h h THR 81 Ca 0.00 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2k8h h THR 81 Cb 0.95 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2k8h h THR 81 CO 0.00 0.00 -0.01 1.55 -0.25 0.00 0.00 175.52 176.81 2k8h h PRO 82 N -1.09 0.00 -0.00 4.72 0.13 -1.89 -0.86 132.00 133.02 2k8h h PRO 82 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2k8h h PRO 82 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2k8h h PRO 82 CO 0.15 0.01 -0.03 1.49 -0.23 0.00 0.00 178.00 179.40 2k8h h GLU 83 N 0.00 0.02 -0.02 0.86 4.81 -1.75 0.02 114.58 118.52 2k8h h GLU 83 Ca -0.00 -0.02 -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 0.78 -0.85 1.05 -0.73 0.00 0.00 179.01 179.27 2k8h h GLU 84 N -0.74 0.28 0.01 1.92 -0.00 -1.21 0.26 114.58 115.11 2k8h h GLU 84 Ca -0.00 -0.29 -0.21 0.00 -0.00 0.00 0.00 59.36 58.86 2k8h h GLU 84 Cb 0.79 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.61 2k8h h GLU 84 CO 0.01 0.98 -0.92 1.25 -0.00 0.00 0.00 179.01 180.33 2k8h h LEU 85 N 0.17 0.37 0.00 3.06 6.46 -1.26 -3.38 115.31 120.72 2k8h h LEU 85 Ca -0.05 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 2k8h h LEU 85 Cb 1.46 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2k8h h LEU 85 CO 0.14 1.11 -0.50 0.61 -0.62 0.00 0.00 178.44 179.18 2k8h n GLY 86 N 0.93 -0.94 3.20 3.75 0.00 -0.01 -5.00 105.19 107.12 2k8h n GLY 86 Ca -0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.55 -6.46 -3.99 1.61 2.81 0.92 -5.01 117.12 102.46 2k8h n MET 87 Ca -0.07 0.68 -0.08 0.00 -1.81 0.00 0.00 57.70 56.42 2k8h n MET 87 Cb 0.26 -5.27 -0.09 0.00 -0.71 0.00 0.00 33.22 27.40 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 -6.00 0.64 -0.01 0.03 -1.05 -1.26 -5.03 118.70 106.03 2k8h s GLU 88 Ca 0.44 -1.00 0.08 0.00 -0.15 0.00 0.00 54.97 54.33 2k8h s GLU 88 Cb -0.19 0.24 0.24 0.00 -0.44 0.00 0.00 34.13 33.97 2k8h s GLU 88 CO 0.60 -0.15 1.16 -0.40 0.95 0.00 0.00 175.26 177.41 2k8h n ASP 89 N 0.32 1.55 -2.23 0.83 5.75 -1.26 -3.93 116.55 117.58 2k8h n ASP 89 Ca -0.16 -2.04 -0.27 0.00 -0.01 0.00 0.00 54.79 52.31 2k8h n ASP 89 Cb 0.60 -0.22 0.02 0.00 -1.03 0.00 0.00 41.12 40.49 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2k8h n ASP 90 N 0.26 5.23 -4.63 -1.12 8.00 -1.22 -0.89 116.55 122.18 2k8h n ASP 90 Ca 0.09 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.41 2k8h n ASP 90 Cb 0.26 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 2k8h n ASP 90 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2k8h s ASP 91 N -3.31 6.69 0.09 -2.24 1.01 -0.70 -4.93 116.67 113.28 2k8h s ASP 91 Ca 0.51 1.28 0.05 0.00 0.71 0.00 0.00 52.55 55.10 2k8h s ASP 91 Cb 0.42 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2k8h s ASP 91 CO -0.05 -1.05 0.00 0.68 0.21 0.00 0.00 175.17 174.96 2k8h s VAL 92 N 4.31 4.04 -0.11 -1.27 -7.23 -1.26 -1.23 120.40 117.65 2k8h s VAL 92 Ca 0.57 -0.98 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2k8h s VAL 92 Cb -0.18 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.89 2k8h s VAL 92 CO 0.22 0.12 0.18 0.27 -0.31 0.00 0.00 175.10 175.58 2k8h s ILE 93 N -1.32 -0.29 -0.29 -0.62 -4.36 -0.54 -4.45 121.20 109.34 2k8h s ILE 93 Ca 0.26 0.27 -0.11 0.00 -0.26 0.00 0.00 60.65 60.81 2k8h s ILE 93 Cb -0.12 -0.37 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 2k8h s ILE 93 CO 0.19 0.08 0.19 -1.81 0.24 0.00 0.00 174.94 173.83 2k8h s ASP 94 N 2.31 5.98 -0.41 4.36 1.11 -0.47 -1.41 116.67 128.15 2k8h s ASP 94 Ca 0.03 -0.10 -0.22 0.00 0.18 0.00 0.00 52.55 52.44 2k8h s ASP 94 Cb -0.13 -2.11 0.02 0.00 1.07 0.00 0.00 42.92 41.77 2k8h s ASP 94 CO -0.07 -0.08 0.74 0.00 1.18 0.00 0.00 175.17 176.93 2k8h s ALA 95 N 1.75 3.37 0.18 5.23 0.00 -0.45 -1.73 121.76 130.10 2k8h s ALA 95 Ca 0.07 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.22 2k8h s ALA 95 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2k8h s ALA 95 CO 0.11 -1.67 -0.12 1.41 0.00 0.00 0.00 175.76 175.48 2k8h s MET 96 N 3.07 1.97 -0.10 0.00 1.75 -0.45 -3.97 119.30 121.57 2k8h s MET 96 Ca 0.28 -1.30 -0.22 0.00 -1.25 0.00 0.00 55.69 53.20 2k8h s MET 96 Cb -0.13 -2.11 -0.03 0.00 2.84 0.00 0.00 34.83 35.39 2k8h s MET 96 CO 0.19 0.43 0.66 0.14 -0.65 0.00 0.00 175.02 175.79 2k8h s VAL 97 N -1.67 5.06 -0.72 10.11 -7.23 -1.26 -1.45 120.40 123.23 2k8h s VAL 97 Ca 0.24 1.33 -0.03 0.00 -1.81 0.00 0.00 61.98 61.71 2k8h s VAL 97 Cb -0.09 -3.99 0.20 0.00 0.56 0.00 0.00 36.38 33.06 2k8h s VAL 97 CO 0.14 0.23 2.38 -0.62 -0.31 0.00 0.00 175.10 176.92 2k8h n GLU 98 N 4.01 2.95 -3.15 4.82 -0.58 -1.26 -4.82 120.64 122.62 2k8h n GLU 98 Ca -0.02 -3.08 -0.05 0.00 -0.42 0.00 0.00 57.16 53.59 2k8h n GLU 98 Cb 0.51 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 2k8h n GLU 98 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2k8h n GLN 99 N 0.32 -1.50 -0.92 3.49 1.13 -1.26 -4.96 117.38 113.68 2k8h n GLN 99 Ca 0.52 1.47 -0.03 0.00 -1.94 0.00 0.00 57.00 57.02 2k8h n GLN 99 Cb 0.38 -5.19 -0.02 0.00 0.11 0.00 0.00 30.24 25.51 2k8h n GLN 99 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2k8h n THR 100 N -1.67 0.00 -1.38 5.09 5.66 -1.26 -5.15 114.28 115.56 2k8h n THR 100 Ca -0.03 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2k8h n THR 100 Cb 0.53 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 2k8h n THR 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8h n GLY 101 N -0.11 1.80 0.00 1.09 0.00 -1.26 -5.02 105.19 101.70 2k8h n GLY 101 Ca -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93