#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 -0.09 -0.48 7.83 0.15 -1.26 -5.13 113.70 114.73 2k8h s SER 2 Ca 0.00 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.52 2k8h s SER 2 Cb 0.00 1.06 0.08 0.00 -1.71 0.00 0.00 66.02 65.45 2k8h s SER 2 CO 0.00 -0.02 0.40 0.20 1.20 0.00 0.00 173.24 175.03 2k8h s ASN 3 N 2.99 6.15 0.56 5.45 0.01 -1.26 -5.07 114.94 123.78 2k8h s ASN 3 Ca 0.20 -1.35 -0.12 0.00 -0.71 0.00 0.00 52.86 50.87 2k8h s ASN 3 Cb -0.02 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 2k8h s ASN 3 CO -0.18 -0.66 0.98 0.54 -1.51 0.00 0.00 177.10 176.27 2k8h s ASN 4 N 2.67 6.38 0.65 -1.22 4.22 -1.26 -5.08 114.94 121.30 2k8h s ASN 4 Ca 0.04 1.41 0.03 0.00 -2.14 0.00 0.00 52.86 52.20 2k8h s ASN 4 Cb -0.25 -2.46 0.10 0.00 1.28 0.00 0.00 41.25 39.93 2k8h s ASN 4 CO 0.06 -0.73 0.90 -0.83 -2.04 0.00 0.00 177.10 174.46 2k8h s GLY 5 N -3.75 1.77 0.67 0.45 0.00 -1.26 -5.11 107.32 100.09 2k8h s GLY 5 Ca 0.55 -1.82 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 2k8h s GLY 5 CO 0.44 -1.32 0.97 -0.32 0.00 0.00 0.00 173.10 172.88 2k8h s GLY 6 N -4.67 1.68 0.29 0.20 0.00 -1.26 -5.11 107.32 98.45 2k8h s GLY 6 Ca 0.64 -0.91 0.11 0.00 0.00 0.00 0.00 44.72 44.56 2k8h s GLY 6 CO 0.42 -0.54 -0.16 -0.54 0.00 0.00 0.00 173.10 172.27 2k8h s GLU 7 N -5.16 1.78 1.00 2.90 2.02 -1.26 -5.14 118.70 114.83 2k8h s GLU 7 Ca 0.59 -1.74 -0.12 0.00 0.02 0.00 0.00 54.97 53.71 2k8h s GLU 7 Cb -0.11 -1.82 0.19 0.00 0.10 0.00 0.00 34.13 32.50 2k8h s GLU 7 CO 0.44 0.31 1.09 -1.25 0.02 0.00 0.00 175.26 175.88 2k8h s PRO 8 N -3.54 0.43 -0.41 0.39 0.04 -1.26 -5.05 135.00 125.60 2k8h s PRO 8 Ca 0.30 0.52 0.06 0.00 0.04 0.00 0.00 61.00 61.93 2k8h s PRO 8 Cb -0.04 -1.74 0.22 0.00 0.04 0.00 0.00 34.50 32.98 2k8h s PRO 8 CO 0.16 -2.73 0.51 0.43 0.04 0.00 0.00 177.00 175.40 2k8h n SER 9 N -4.18 -0.53 -4.92 6.66 7.64 -1.26 -5.13 113.62 111.90 2k8h n SER 9 Ca 0.05 -2.65 -0.21 0.00 1.01 0.00 0.00 58.87 57.07 2k8h n SER 9 Cb 0.57 -0.25 0.05 0.00 -1.01 0.00 0.00 64.21 63.57 2k8h n SER 9 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k8h s ASN 10 N -0.71 5.11 -0.35 6.43 2.20 -1.26 -4.80 114.94 121.57 2k8h s ASN 10 Ca 0.34 -0.16 -0.08 0.00 -0.94 0.00 0.00 52.86 52.02 2k8h s ASN 10 Cb 0.12 -0.62 0.01 0.00 -2.00 0.00 0.00 41.25 38.76 2k8h s ASN 10 CO -0.15 -1.27 0.27 0.59 -2.94 0.00 0.00 177.10 173.61 2k8h n ASN 11 N -2.39 -7.87 -0.10 3.54 3.02 -1.26 -4.98 115.26 105.22 2k8h n ASN 11 Ca 0.10 0.97 -0.11 0.00 -0.03 0.00 0.00 54.58 55.51 2k8h n ASN 11 Cb 0.60 -5.08 -0.16 0.00 -0.61 0.00 0.00 39.78 34.54 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8h n GLY 12 N 0.29 -0.95 0.00 7.41 0.00 -1.26 -5.00 105.19 105.67 2k8h n GLY 12 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2k8h n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8h n GLY 13 N 1.78 -0.64 3.68 -0.02 0.00 -1.26 -4.92 105.19 103.81 2k8h n GLY 13 Ca -0.33 0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2k8h n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k8h n GLU 14 N 0.00 2.44 0.00 1.61 4.71 -1.26 -4.58 120.64 123.55 2k8h n GLU 14 Ca 0.00 0.89 0.00 0.00 -0.01 0.00 0.00 57.16 58.04 2k8h n GLU 14 Cb 0.00 -2.75 0.00 0.00 -1.01 0.00 0.00 31.44 27.68 2k8h n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k8h n GLY 15 N 4.19 2.94 1.59 0.62 0.00 -1.26 -5.07 105.19 108.20 2k8h n GLY 15 Ca 0.20 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.00 2.97 -2.63 4.61 0.00 -1.26 -4.66 120.51 116.54 2k8h n ALA 16 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 53.44 51.48 2k8h n ALA 16 Cb 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 2k8h n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8h s GLU 17 N -0.43 2.67 -0.49 0.00 2.02 -1.26 -5.07 118.70 116.14 2k8h s GLU 17 Ca 0.18 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.56 2k8h s GLU 17 Cb 0.24 -2.58 0.19 0.00 0.10 0.00 0.00 34.13 32.09 2k8h s GLU 17 CO -0.09 0.62 0.79 0.41 0.02 0.00 0.00 175.26 177.01 2k8h n GLY 18 N 1.60 -0.74 2.80 -1.39 0.00 -1.26 -4.70 105.19 101.49 2k8h n GLY 18 Ca -0.16 0.59 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 2k8h n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k8h n THR 19 N 2.86 2.75 -2.39 2.61 -2.24 -1.26 -5.06 114.28 111.55 2k8h n THR 19 Ca 0.17 -5.20 0.12 0.00 -2.27 0.00 0.00 64.05 56.86 2k8h n THR 19 Cb 0.58 -2.19 -0.03 0.00 -2.10 0.00 0.00 70.33 66.58 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k8h n LYS 21 N -3.19 -1.06 -2.74 0.00 5.02 -1.26 -4.72 118.16 110.21 2k8h n LYS 21 Ca 0.01 0.70 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 2k8h n LYS 21 Cb 0.40 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 2k8h n LYS 21 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k8h s GLU 22 N -0.89 4.62 0.15 1.97 -1.05 -1.26 -5.04 118.70 117.20 2k8h s GLU 22 Ca 0.00 1.41 -0.24 0.00 -0.15 0.00 0.00 54.97 55.98 2k8h s GLU 22 Cb 0.00 -2.91 0.07 0.00 -0.44 0.00 0.00 34.13 30.85 2k8h s GLU 22 CO 0.00 0.30 1.01 -2.00 0.95 0.00 0.00 175.26 175.52 2k8h s GLU 23 N -1.85 1.17 -0.06 -4.83 2.56 -1.26 -5.04 118.70 109.40 2k8h s GLU 23 Ca 0.48 -0.69 0.01 0.00 0.00 0.00 0.00 54.97 54.77 2k8h s GLU 23 Cb -0.21 0.37 -0.03 0.00 2.00 0.00 0.00 34.13 36.26 2k8h s GLU 23 CO 0.27 -0.54 -0.05 0.95 -0.56 0.00 0.00 175.26 175.33 2k8h s THR 24 N -2.85 3.85 0.14 -1.70 -4.23 -1.26 -5.01 115.64 104.57 2k8h s THR 24 Ca 0.15 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 59.93 2k8h s THR 24 Cb -0.01 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.29 2k8h s THR 24 CO 0.03 0.55 0.78 0.00 -0.54 0.00 0.00 174.62 175.44 2k8h s ALA 25 N -0.87 -1.58 -0.06 3.99 0.00 -1.26 -4.56 121.76 117.41 2k8h s ALA 25 Ca 0.14 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2k8h s ALA 25 Cb -0.11 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2k8h s ALA 25 CO 0.03 -0.87 -0.10 -1.17 0.00 0.00 0.00 175.76 173.65 2k8h s LEU 26 N -2.77 1.54 -0.04 0.00 2.96 -1.26 -3.74 118.68 115.38 2k8h s LEU 26 Ca 0.07 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2k8h s LEU 26 Cb -0.02 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.94 2k8h s LEU 26 CO -0.04 0.00 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 2k8h s VAL 27 N 0.81 0.71 0.02 1.68 1.01 -0.45 -4.69 120.40 119.49 2k8h s VAL 27 Ca -0.12 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2k8h s VAL 27 Cb -0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.51 2k8h s VAL 27 CO 0.02 0.24 0.60 0.00 0.00 0.00 0.00 175.10 175.96 2k8h s ALA 28 N 0.51 3.50 0.03 5.51 0.00 -0.05 -1.37 121.76 129.89 2k8h s ALA 28 Ca -0.08 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.01 2k8h s ALA 28 Cb -0.11 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 2k8h s ALA 28 CO 0.01 0.22 -0.21 0.08 0.00 0.00 0.00 175.76 175.86 2k8h s VAL 29 N -0.42 2.57 -0.17 0.00 1.01 -0.43 -1.56 120.40 121.41 2k8h s VAL 29 Ca 0.31 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2k8h s VAL 29 Cb -0.19 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.20 2k8h s VAL 29 CO 0.18 0.37 0.07 -0.75 0.00 0.00 0.00 175.10 174.97 2k8h s LYS 30 N -1.31 0.22 -0.19 2.72 2.20 -0.46 -1.41 119.74 121.53 2k8h s LYS 30 Ca 0.13 -0.15 -0.08 0.00 -0.36 0.00 0.00 55.97 55.52 2k8h s LYS 30 Cb -0.10 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.35 2k8h s LYS 30 CO 0.04 -0.64 0.07 0.54 -0.36 0.00 0.00 175.35 175.00 2k8h s VAL 31 N 2.06 4.86 0.17 4.02 0.11 -0.53 -1.44 120.40 129.65 2k8h s VAL 31 Ca 0.01 -0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 2k8h s VAL 31 Cb -0.16 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 2k8h s VAL 31 CO -0.08 0.45 -0.17 0.68 -3.33 0.00 0.00 175.10 172.65 2k8h s VAL 32 N 0.41 1.72 0.10 2.04 -7.23 -0.56 -1.24 120.40 115.64 2k8h s VAL 32 Ca 0.04 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 2k8h s VAL 32 Cb -0.12 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2k8h s VAL 32 CO 0.00 -0.40 -0.13 0.21 -0.31 0.00 0.00 175.10 174.46 2k8h s ASN 33 N -2.80 1.78 0.57 4.85 2.47 -0.54 -1.19 114.94 120.07 2k8h s ASN 33 Ca 0.16 -0.74 0.31 0.00 0.42 0.00 0.00 52.86 53.01 2k8h s ASN 33 Cb -0.04 -0.05 1.72 0.00 -1.45 0.00 0.00 41.25 41.43 2k8h s ASN 33 CO 0.06 -0.14 2.18 0.00 -3.72 0.00 0.00 177.10 175.48 2k8h h ALA 34 N 3.81 1.34 0.00 1.71 0.00 -1.88 -1.12 119.26 123.12 2k8h h ALA 34 Ca -0.40 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 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 0.47 0.07 -0.50 -0.44 0.00 0.00 0.00 179.25 178.85 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.95 -3.47 116.42 116.18 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k8h h ASP 35 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2k8h h ASP 35 CO 0.01 0.50 0.00 0.61 -3.12 0.00 0.00 179.24 177.23 2k8h n GLY 36 N 1.18 2.17 3.68 2.75 0.00 -0.42 -5.09 105.19 109.46 2k8h n GLY 36 Ca 0.02 -0.48 -0.52 0.00 0.00 0.00 0.00 46.02 45.04 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 0.33 -3.17 4.61 0.00 -1.26 -4.55 120.51 116.47 2k8h n ALA 37 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 2k8h n ALA 37 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.07 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 3.25 1.30 -0.24 0.00 -1.05 -1.26 -1.46 118.70 119.24 2k8h s GLU 38 Ca 0.93 -0.90 -0.27 0.00 -0.15 0.00 0.00 54.97 54.58 2k8h s GLU 38 Cb -0.86 0.49 0.13 0.00 -0.44 0.00 0.00 34.13 33.45 2k8h s GLU 38 CO 0.55 -0.54 1.05 0.00 0.95 0.00 0.00 175.26 177.27 2k8h s MET 39 N -3.88 0.51 0.05 -4.83 0.23 -0.37 -5.01 119.30 106.00 2k8h s MET 39 Ca 0.10 0.38 0.06 0.00 -1.03 0.00 0.00 55.69 55.20 2k8h s MET 39 Cb 0.00 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 2k8h s MET 39 CO -0.03 -0.11 -0.16 -0.59 -2.03 0.00 0.00 175.02 172.10 2k8h s PHE 40 N -0.32 1.43 -0.10 3.16 -0.71 -1.26 -1.45 117.98 118.73 2k8h s PHE 40 Ca 0.02 -0.38 -0.29 0.00 -1.04 0.00 0.00 56.93 55.24 2k8h s PHE 40 Cb -0.03 -0.83 0.07 0.00 -1.21 0.00 0.00 43.02 41.01 2k8h s PHE 40 CO -0.04 0.07 0.67 -0.06 -1.34 0.00 0.00 175.22 174.52 2k8h s PHE 41 N -0.94 -0.66 -0.25 3.49 0.08 -0.50 -5.00 117.98 114.20 2k8h s PHE 41 Ca 0.03 1.25 -0.19 0.00 0.12 0.00 0.00 56.93 58.14 2k8h s PHE 41 Cb -0.09 0.36 -0.02 0.00 -0.57 0.00 0.00 43.02 42.70 2k8h s PHE 41 CO 0.02 -0.55 0.57 -0.98 -0.10 0.00 0.00 175.22 174.18 2k8h s ARG 42 N -0.85 4.10 0.03 0.44 1.70 -1.26 -1.31 118.95 121.80 2k8h s ARG 42 Ca -0.09 0.43 -0.02 0.00 -0.47 0.00 0.00 55.73 55.59 2k8h s ARG 42 Cb -0.01 -3.65 -0.02 0.00 -0.57 0.00 0.00 34.95 30.70 2k8h s ARG 42 CO 0.08 -0.37 0.01 0.42 -1.08 0.00 0.00 175.30 174.36 2k8h s ILE 43 N 2.36 0.14 0.22 4.99 1.09 -0.47 -4.96 121.20 124.56 2k8h s ILE 43 Ca 0.24 -1.18 -0.32 0.00 -1.10 0.00 0.00 60.65 58.29 2k8h s ILE 43 Cb -0.16 -0.77 -0.13 0.00 -1.06 0.00 0.00 42.46 40.34 2k8h s ILE 43 CO 0.09 -0.65 1.48 1.17 -0.10 0.00 0.00 174.94 176.93 2k8h n LYS 44 N 0.98 2.12 -0.22 2.79 4.81 -1.26 -1.34 118.16 126.05 2k8h n LYS 44 Ca -0.20 0.76 0.27 0.00 -0.87 0.00 0.00 58.31 58.27 2k8h n LYS 44 Cb 0.58 -2.46 0.67 0.00 0.02 0.00 0.00 35.03 33.83 2k8h n LYS 44 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2k8h h SER 45 N 4.84 0.11 -0.81 3.14 0.02 -1.84 0.21 113.55 119.21 2k8h h SER 45 Ca -0.45 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 60.75 2k8h h SER 45 Cb 1.26 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2k8h h SER 45 CO 0.80 0.04 0.58 -0.09 -1.14 0.00 0.00 176.83 177.02 2k8h h ARG 46 N 0.11 0.02 -2.26 3.45 9.65 -1.87 -3.40 114.38 120.08 2k8h h ARG 46 Ca 0.46 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.32 2k8h h ARG 46 Cb 1.65 -0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.99 2k8h h ARG 46 CO -0.06 0.01 -0.17 0.99 2.80 0.00 0.00 179.97 183.55 2k8h s THR 47 N -5.01 -0.34 0.38 0.20 2.01 0.73 -4.85 115.64 108.76 2k8h s THR 47 Ca -0.05 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2k8h s THR 47 Cb 0.21 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.88 2k8h s THR 47 CO 0.76 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.72 2k8h n ALA 48 N 4.74 0.00 0.24 7.40 0.00 -1.26 -4.03 120.51 127.60 2k8h n ALA 48 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.35 2k8h n ALA 48 Cb 0.54 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.59 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 0.58 0.00 7.12 -1.89 -0.29 115.31 120.82 2k8h h LEU 49 Ca 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 2k8h h LEU 49 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.14 2k8h h LEU 49 CO 0.00 0.14 -0.28 0.11 -0.13 0.00 0.00 178.44 178.28 2k8h h LYS 50 N 0.00 -0.75 0.00 1.25 1.79 -1.92 -0.89 116.57 116.06 2k8h h LYS 50 Ca -0.00 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 2k8h h LYS 50 Cb 0.27 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2k8h h LYS 50 CO 0.02 -0.44 -0.35 0.87 -1.08 0.00 0.00 179.45 178.47 2k8h h LYS 51 N -0.99 0.00 0.16 3.15 1.57 -1.89 -0.86 116.57 117.71 2k8h h LYS 51 Ca -0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2k8h h LYS 51 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2k8h h LYS 51 CO 0.13 0.35 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.21 2k8h h LEU 52 N 0.00 -0.19 -0.80 2.94 -0.00 -0.97 0.26 115.31 116.55 2k8h h LEU 52 Ca -0.00 -0.22 -0.13 0.00 -0.00 0.00 0.00 57.88 57.53 2k8h h LEU 52 Cb 0.68 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2k8h h LEU 52 CO 0.05 0.13 -0.54 0.16 -0.00 0.00 0.00 178.44 178.24 2k8h h ILE 53 N -0.52 1.37 -0.08 1.22 3.07 -1.11 -0.55 117.51 120.91 2k8h h ILE 53 Ca -0.02 -1.84 -0.06 0.00 1.55 0.00 0.00 64.86 64.49 2k8h h ILE 53 Cb 0.40 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 2k8h h ILE 53 CO 0.04 0.54 -0.19 -0.78 -1.05 0.00 0.00 178.15 176.71 2k8h h ASP 54 N 0.13 0.31 -0.25 2.16 3.58 -1.11 -1.26 116.42 119.97 2k8h h ASP 54 Ca 0.00 -0.58 -0.15 0.00 0.42 0.00 0.00 57.03 56.72 2k8h h ASP 54 Cb 0.99 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2k8h h ASP 54 CO 0.08 0.83 -0.39 0.74 -2.88 0.00 0.00 179.24 177.62 2k8h h THR 55 N -0.20 1.28 0.11 2.25 2.02 -0.48 -0.80 112.91 117.09 2k8h h THR 55 Ca -0.00 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 2k8h h THR 55 Cb 0.79 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2k8h h THR 55 CO 0.04 0.51 -0.05 0.22 0.37 0.00 0.00 175.52 176.61 2k8h h TYR 56 N 0.65 -0.14 -0.69 3.16 5.03 -1.15 0.24 116.97 124.07 2k8h h TYR 56 Ca 0.05 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 2k8h h TYR 56 Cb 0.94 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.24 2k8h h TYR 56 CO 0.05 0.20 0.30 0.00 -1.32 0.00 0.00 178.16 177.39 2k8h h LYS 58 N 0.98 0.91 -0.29 0.00 1.79 -1.13 -0.61 116.57 118.20 2k8h h LYS 58 Ca 0.23 -0.42 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 2k8h h LYS 58 Cb 0.17 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2k8h h LYS 58 CO -0.02 1.08 0.14 0.87 -1.08 0.00 0.00 179.45 180.44 2k8h h LYS 59 N 0.73 0.42 0.00 3.15 1.79 -0.29 -1.96 116.57 120.41 2k8h h LYS 59 Ca 0.08 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2k8h h LYS 59 Cb 0.84 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2k8h h LYS 59 CO 0.07 0.39 0.00 1.96 -1.08 0.00 0.00 179.45 180.80 2k8h h GLN 60 N 0.34 0.00 0.00 3.15 4.20 -1.18 -3.46 115.11 118.16 2k8h h GLN 60 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2k8h h GLN 60 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2k8h h GLN 60 CO -0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 2k8h n GLY 61 N -0.51 0.80 2.85 3.46 0.00 -0.74 -5.07 105.19 105.99 2k8h n GLY 61 Ca -0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 0.03 1.25 -0.61 -4.36 -0.28 -5.03 121.20 110.20 2k8h s ILE 62 Ca 0.00 0.04 -0.17 0.00 -0.26 0.00 0.00 60.65 60.26 2k8h s ILE 62 Cb 0.00 -0.07 0.29 0.00 1.25 0.00 0.00 42.46 43.93 2k8h s ILE 62 CO 0.00 0.04 0.78 -1.20 0.24 0.00 0.00 174.94 174.80 2k8h n SER 63 N 3.40 -2.62 -2.42 4.36 7.64 -1.26 -4.05 113.62 118.68 2k8h n SER 63 Ca -0.17 -0.38 -0.22 0.00 1.01 0.00 0.00 58.87 59.12 2k8h n SER 63 Cb 0.57 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.54 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 -4.63 2.53 -0.97 1.43 0.63 -1.26 -3.93 116.66 110.46 2k8h n ARG 64 Ca 0.05 -1.68 0.03 0.00 -0.92 0.00 0.00 57.85 55.33 2k8h n ARG 64 Cb 0.56 -2.20 0.03 0.00 0.45 0.00 0.00 32.46 31.31 2k8h n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k8h n ASN 65 N 2.20 0.76 -0.73 6.15 5.15 -1.26 -4.80 115.26 122.73 2k8h n ASN 65 Ca 0.51 -2.21 -0.01 0.00 -0.60 0.00 0.00 54.58 52.26 2k8h n ASN 65 Cb 0.68 -0.29 -0.02 0.00 -0.53 0.00 0.00 39.78 39.63 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2k8h n SER 66 N 0.07 -0.16 -3.68 1.20 2.88 -1.25 -4.31 113.62 108.37 2k8h n SER 66 Ca 0.05 -1.54 -0.15 0.00 -1.33 0.00 0.00 58.87 55.91 2k8h n SER 66 Cb 0.92 0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 64.25 2k8h n SER 66 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2k8h s VAL 67 N 0.00 -0.29 -0.39 2.46 1.01 -1.26 -4.77 120.40 117.16 2k8h s VAL 67 Ca 0.03 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2k8h s VAL 67 Cb 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.09 2k8h s VAL 67 CO -0.02 0.12 0.24 -0.13 0.00 0.00 0.00 175.10 175.31 2k8h s ARG 68 N 2.15 2.82 -0.49 2.72 0.52 -0.52 -4.92 118.95 121.23 2k8h s ARG 68 Ca 0.00 -1.14 -0.19 0.00 -0.52 0.00 0.00 55.73 53.87 2k8h s ARG 68 Cb -0.12 -3.80 0.05 0.00 0.52 0.00 0.00 34.95 31.60 2k8h s ARG 68 CO -0.07 -0.77 0.61 -0.06 0.02 0.00 0.00 175.30 175.03 2k8h s PHE 69 N 1.56 3.06 0.08 -0.53 0.08 -1.26 -1.37 117.98 119.60 2k8h s PHE 69 Ca 0.03 -0.44 0.09 0.00 0.12 0.00 0.00 56.93 56.73 2k8h s PHE 69 Cb -0.20 -3.44 -0.04 0.00 -0.57 0.00 0.00 43.02 38.78 2k8h s PHE 69 CO 0.07 -0.97 -0.23 -0.48 -0.10 0.00 0.00 175.22 173.50 2k8h s LEU 70 N 2.61 2.40 -0.32 -0.37 0.05 -1.20 -1.13 118.68 120.72 2k8h s LEU 70 Ca 0.16 -0.60 0.01 0.00 0.05 0.00 0.00 54.13 53.74 2k8h s LEU 70 Cb -0.18 -1.36 0.08 0.00 -2.05 0.00 0.00 46.19 42.68 2k8h s LEU 70 CO 0.13 0.22 0.03 0.12 -0.55 0.00 0.00 176.35 176.30 2k8h s PHE 71 N -0.97 3.48 -1.64 3.48 5.36 -0.38 -1.12 117.98 126.18 2k8h s PHE 71 Ca 0.14 -2.41 0.00 0.00 -0.96 0.00 0.00 56.93 53.70 2k8h s PHE 71 Cb -0.10 -2.53 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 2k8h s PHE 71 CO 0.05 -0.90 0.00 -3.47 -1.46 0.00 0.00 175.22 169.45 2k8h n ASP 72 N 4.47 -4.75 0.00 6.13 -0.08 -1.26 -1.02 116.55 120.04 2k8h n ASP 72 Ca -0.06 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 2k8h n ASP 72 Cb 0.42 -4.13 0.00 0.00 2.34 0.00 0.00 41.12 39.75 2k8h n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8h n GLY 73 N -0.61 1.15 3.14 0.27 0.00 -1.26 -5.06 105.19 102.82 2k8h n GLY 73 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 4.40 -0.69 2.61 2.01 -0.19 -5.03 115.64 116.75 2k8h s THR 74 Ca 0.00 -3.44 -0.26 0.00 0.31 0.00 0.00 61.69 58.30 2k8h s THR 74 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2k8h s THR 74 CO 0.00 -1.03 1.89 -2.16 -0.69 0.00 0.00 174.62 172.63 2k8h s PRO 75 N -0.83 2.60 -0.09 4.92 0.04 -1.26 -1.25 135.00 139.14 2k8h s PRO 75 Ca 0.24 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.52 2k8h s PRO 75 Cb -0.12 -4.58 0.03 0.00 0.04 0.00 0.00 34.50 29.88 2k8h s PRO 75 CO -0.09 -2.92 0.31 0.42 0.04 0.00 0.00 177.00 174.76 2k8h s ILE 76 N 9.37 0.02 -0.61 0.56 -1.09 -0.28 -4.94 121.20 124.22 2k8h s ILE 76 Ca 0.68 -0.15 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 2k8h s ILE 76 Cb -0.11 -0.49 0.15 0.00 -1.58 0.00 0.00 42.46 40.44 2k8h s ILE 76 CO 0.15 -0.08 0.40 -1.81 -1.23 0.00 0.00 174.94 172.36 2k8h s ASP 77 N -0.29 4.94 -0.25 3.58 1.01 -1.26 -4.65 116.67 119.76 2k8h s ASP 77 Ca -0.04 -3.00 -0.37 0.00 0.71 0.00 0.00 52.55 49.84 2k8h s ASP 77 Cb -0.03 -1.78 0.15 0.00 1.01 0.00 0.00 42.92 42.27 2k8h s ASP 77 CO 0.01 -0.30 1.38 -1.61 0.21 0.00 0.00 175.17 174.87 2k8h s GLU 78 N -0.28 0.05 -0.14 8.23 2.02 -1.26 -5.00 118.70 122.32 2k8h s GLU 78 Ca 0.18 -0.02 0.16 0.00 0.02 0.00 0.00 54.97 55.31 2k8h s GLU 78 Cb -0.21 0.02 0.62 0.00 0.10 0.00 0.00 34.13 34.67 2k8h s GLU 78 CO -0.03 -0.02 1.54 -2.37 0.02 0.00 0.00 175.26 174.40 2k8h n THR 79 N -0.11 2.01 -0.00 3.63 5.66 -1.26 -4.35 114.28 119.86 2k8h n THR 79 Ca 0.02 -1.40 -0.00 0.00 -3.05 0.00 0.00 64.05 59.62 2k8h n THR 79 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 0.48 1.67 0.29 1.09 4.76 -1.26 -4.35 118.16 120.84 2k8h n LYS 80 Ca 0.23 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2k8h n LYS 80 Cb 0.88 -1.02 -0.06 0.00 -1.84 0.00 0.00 35.03 33.00 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 -1.97 -1.20 112.91 110.91 2k8h h THR 81 Ca -0.02 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 2k8h h THR 81 Cb 1.03 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2k8h h THR 81 CO -0.00 0.00 -0.08 1.55 -0.25 0.00 0.00 175.52 176.74 2k8h h PRO 82 N -1.06 0.00 0.01 4.72 0.13 -1.88 -0.92 132.00 133.01 2k8h h PRO 82 Ca -0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 2k8h h PRO 82 Cb 0.59 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.72 2k8h h PRO 82 CO 0.13 0.08 -0.29 1.49 -0.23 0.00 0.00 178.00 179.17 2k8h h GLU 83 N 0.00 0.17 -0.06 0.86 4.81 -1.75 0.42 114.58 119.04 2k8h h GLU 83 Ca -0.00 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 58.82 2k8h h GLU 83 Cb 0.54 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2k8h h GLU 83 CO 0.01 0.97 -0.80 1.49 -0.73 0.00 0.00 179.01 179.95 2k8h h GLU 84 N -0.53 0.43 0.04 1.92 4.22 -1.17 0.29 114.58 119.78 2k8h h GLU 84 Ca -0.04 -0.39 -0.23 0.00 0.08 0.00 0.00 59.36 58.78 2k8h h GLU 84 Cb 1.08 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2k8h h GLU 84 CO 0.06 1.03 -1.02 1.25 -2.18 0.00 0.00 179.01 178.15 2k8h h LEU 85 N 0.28 0.37 0.00 1.64 6.46 -1.27 -3.39 115.31 119.39 2k8h h LEU 85 Ca -0.05 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 2k8h h LEU 85 Cb 1.40 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2k8h h LEU 85 CO 0.14 1.18 -0.31 0.61 -0.62 0.00 0.00 178.44 179.44 2k8h n GLY 86 N 1.14 -0.78 2.89 3.75 0.00 0.14 -5.02 105.19 107.31 2k8h n GLY 86 Ca -0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.67 -5.16 -3.90 1.61 2.81 0.10 -5.03 117.12 103.88 2k8h n MET 87 Ca -0.04 0.66 -0.09 0.00 -1.81 0.00 0.00 57.70 56.41 2k8h n MET 87 Cb 0.16 -5.10 -0.08 0.00 -0.71 0.00 0.00 33.22 27.49 2k8h n MET 87 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k8h s GLU 88 N -5.09 0.76 -0.01 0.03 2.12 -1.26 -5.03 118.70 110.23 2k8h s GLU 88 Ca 0.02 -0.93 0.07 0.00 0.36 0.00 0.00 54.97 54.48 2k8h s GLU 88 Cb -0.01 0.30 0.21 0.00 0.26 0.00 0.00 34.13 34.90 2k8h s GLU 88 CO 0.56 -0.22 1.13 -0.40 -0.54 0.00 0.00 175.26 175.79 2k8h n ASP 89 N 0.14 1.42 -2.23 -1.70 5.68 -1.26 -3.90 116.55 114.71 2k8h n ASP 89 Ca -0.16 -2.04 -0.27 0.00 -0.50 0.00 0.00 54.79 51.82 2k8h n ASP 89 Cb 0.61 -0.21 0.02 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.19 5.32 -4.57 -1.12 8.00 -1.22 -0.87 116.55 122.28 2k8h n ASP 90 Ca 0.08 -3.75 -0.41 0.00 0.71 0.00 0.00 54.79 51.42 2k8h n ASP 90 Cb 0.25 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 -3.25 5.93 0.13 -2.24 -1.08 -0.60 -4.91 116.67 110.64 2k8h s ASP 91 Ca 0.52 0.41 0.05 0.00 -0.52 0.00 0.00 52.55 53.01 2k8h s ASP 91 Cb 0.42 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 2k8h s ASP 91 CO -0.05 -1.85 0.05 0.68 0.52 0.00 0.00 175.17 174.52 2k8h s VAL 92 N 6.76 4.13 -0.10 1.11 -7.23 -1.26 -1.35 120.40 122.46 2k8h s VAL 92 Ca 0.58 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.60 2k8h s VAL 92 Cb -0.13 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 33.82 2k8h s VAL 92 CO 0.25 -0.01 0.19 0.27 -0.31 0.00 0.00 175.10 175.49 2k8h s ILE 93 N -1.56 -0.26 -0.44 -0.62 -0.00 -0.52 -4.29 121.20 113.50 2k8h s ILE 93 Ca 0.28 0.29 -0.15 0.00 -0.00 0.00 0.00 60.65 61.07 2k8h s ILE 93 Cb -0.11 -0.34 0.05 0.00 -0.00 0.00 0.00 42.46 42.07 2k8h s ILE 93 CO 0.20 0.12 0.35 -1.81 -0.00 0.00 0.00 174.94 173.80 2k8h s ASP 94 N 2.09 6.12 -0.24 4.36 1.11 -0.27 -1.49 116.67 128.34 2k8h s ASP 94 Ca -0.00 -1.13 -0.29 0.00 0.18 0.00 0.00 52.55 51.31 2k8h s ASP 94 Cb -0.12 -2.17 -0.01 0.00 1.07 0.00 0.00 42.92 41.70 2k8h s ASP 94 CO -0.07 -0.55 1.34 0.00 1.18 0.00 0.00 175.17 177.07 2k8h s ALA 95 N 1.66 3.45 0.19 5.23 0.00 -0.34 -3.27 121.76 128.69 2k8h s ALA 95 Ca 0.04 0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.40 2k8h s ALA 95 Cb -0.22 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2k8h s ALA 95 CO 0.08 -1.60 -0.23 1.41 0.00 0.00 0.00 175.76 175.43 2k8h s MET 96 N 4.02 1.56 -0.33 0.00 1.75 -0.47 -4.01 119.30 121.82 2k8h s MET 96 Ca 0.58 -1.50 -0.14 0.00 -1.25 0.00 0.00 55.69 53.38 2k8h s MET 96 Cb -0.20 -1.88 -0.02 0.00 2.84 0.00 0.00 34.83 35.58 2k8h s MET 96 CO 0.21 0.40 0.32 0.08 -0.65 0.00 0.00 175.02 175.39 2k8h s VAL 97 N -1.65 5.20 0.00 10.11 1.01 -1.26 -1.44 120.40 132.37 2k8h s VAL 97 Ca 0.21 0.07 0.13 0.00 0.00 0.00 0.00 61.98 62.38 2k8h s VAL 97 Cb -0.08 -3.76 0.21 0.00 0.00 0.00 0.00 36.38 32.75 2k8h s VAL 97 CO 0.10 -0.02 1.04 1.21 0.00 0.00 0.00 175.10 177.44 2k8h n GLU 98 N 5.29 0.00 -3.92 2.72 2.13 -1.26 -5.06 120.64 120.55 2k8h n GLU 98 Ca -0.10 -1.41 -0.09 0.00 0.66 0.00 0.00 57.16 56.22 2k8h n GLU 98 Cb 0.50 0.12 -0.07 0.00 0.27 0.00 0.00 31.44 32.26 2k8h n GLU 98 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2k8h s GLN 99 N 0.00 1.13 -0.24 5.31 -1.52 -1.26 -5.11 119.66 117.97 2k8h s GLN 99 Ca 0.16 -1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 52.44 2k8h s GLN 99 Cb 0.19 0.39 0.08 0.00 -0.22 0.00 0.00 33.01 33.45 2k8h s GLN 99 CO -0.08 -0.42 0.09 0.99 -0.25 0.00 0.00 175.29 175.62 2k8h s THR 100 N -3.94 0.25 0.00 -0.19 2.01 -1.26 -4.93 115.64 107.58 2k8h s THR 100 Ca 0.14 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2k8h s THR 100 Cb 0.03 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2k8h s THR 100 CO -0.02 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 2k8h n GLY 101 N 5.13 -0.08 0.00 4.40 0.00 -1.26 -5.11 105.19 108.28 2k8h n GLY 101 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93