#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 0.31 -0.27 7.83 1.04 -1.26 -5.17 113.70 116.18 2k8h s SER 2 Ca 0.00 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.12 2k8h s SER 2 Cb 0.00 0.72 0.10 0.00 0.10 0.00 0.00 66.02 66.94 2k8h s SER 2 CO 0.00 -1.41 0.63 0.21 0.98 0.00 0.00 173.24 173.65 2k8h s ASN 3 N -3.11 -0.95 0.01 7.02 2.47 -1.26 -5.17 114.94 113.95 2k8h s ASN 3 Ca 0.22 1.46 -0.15 0.00 0.42 0.00 0.00 52.86 54.81 2k8h s ASN 3 Cb -0.03 1.74 0.02 0.00 -1.45 0.00 0.00 41.25 41.53 2k8h s ASN 3 CO 0.14 -0.23 0.31 0.21 -3.72 0.00 0.00 177.10 173.82 2k8h s ASN 4 N 2.24 -0.17 -0.48 -4.21 3.84 -1.26 -5.12 114.94 109.79 2k8h s ASN 4 Ca -0.08 -0.02 0.04 0.00 0.21 0.00 0.00 52.86 53.02 2k8h s ASN 4 Cb -0.09 0.33 0.19 0.00 -0.55 0.00 0.00 41.25 41.14 2k8h s ASN 4 CO -0.18 -0.52 0.81 -0.83 -2.79 0.00 0.00 177.10 173.58 2k8h s GLY 5 N -1.63 -1.40 0.00 1.21 0.00 -1.26 -5.15 107.32 99.08 2k8h s GLY 5 Ca -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2k8h s GLY 5 CO 0.01 3.80 0.00 0.61 0.00 0.00 0.00 173.10 177.52 2k8h n GLY 6 N 2.94 1.82 3.59 0.20 0.00 -1.26 -5.17 105.19 107.32 2k8h n GLY 6 Ca 0.16 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2k8h n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8h s GLU 7 N -2.00 2.13 0.41 1.61 1.03 -1.26 -5.03 118.70 115.58 2k8h s GLU 7 Ca 0.00 -1.39 0.20 0.00 0.03 0.00 0.00 54.97 53.81 2k8h s GLU 7 Cb 0.00 -2.12 0.85 0.00 -0.80 0.00 0.00 34.13 32.06 2k8h s GLU 7 CO 0.00 0.39 1.82 -1.00 -1.33 0.00 0.00 175.26 175.14 2k8h h PRO 8 N 2.37 0.00 -2.75 -4.83 0.13 -2.02 -3.38 132.00 121.52 2k8h h PRO 8 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 2k8h h PRO 8 Cb 1.23 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 2k8h h PRO 8 CO 0.58 0.32 -0.81 -1.12 -0.23 0.00 0.00 178.00 176.73 2k8h s SER 9 N -6.46 3.25 0.20 1.44 0.01 -1.26 -5.12 113.70 105.75 2k8h s SER 9 Ca -0.01 -2.08 -0.30 0.00 1.31 0.00 0.00 55.95 54.87 2k8h s SER 9 Cb 0.12 -0.53 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 2k8h s SER 9 CO 0.67 -0.33 1.28 0.20 0.41 0.00 0.00 173.24 175.47 2k8h s ASN 10 N 1.15 6.94 0.40 2.44 -0.87 -1.26 -4.80 114.94 118.94 2k8h s ASN 10 Ca 0.16 2.36 0.00 0.00 -1.57 0.00 0.00 52.86 53.81 2k8h s ASN 10 Cb -0.22 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.40 2k8h s ASN 10 CO -0.07 -0.49 0.00 -3.20 -2.57 0.00 0.00 177.10 170.77 2k8h n ASN 11 N 2.59 -7.73 0.00 -1.22 2.85 -1.26 -5.01 115.26 105.49 2k8h n ASN 11 Ca 0.06 0.82 0.00 0.00 -0.11 0.00 0.00 54.58 55.34 2k8h n ASN 11 Cb 0.43 -4.10 0.00 0.00 1.24 0.00 0.00 39.78 37.35 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k8h n GLY 12 N -4.06 2.71 0.00 8.20 0.00 -1.26 -5.04 105.19 105.74 2k8h n GLY 12 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -3.05 3.16 -0.02 0.00 -1.26 -4.94 105.19 99.07 2k8h n GLY 13 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.04 -1.38 -3.53 1.61 -0.58 -1.26 -5.03 120.64 109.42 2k8h n GLU 14 Ca 0.00 1.41 -0.10 0.00 -0.42 0.00 0.00 57.16 58.05 2k8h n GLU 14 Cb 0.00 -5.25 -0.02 0.00 -0.57 0.00 0.00 31.44 25.60 2k8h n GLU 14 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k8h s GLY 15 N -2.98 -0.47 0.25 0.62 0.00 -1.26 -5.17 107.32 98.31 2k8h s GLY 15 Ca 0.01 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 2k8h s GLY 15 CO 0.77 0.15 0.50 0.00 0.00 0.00 0.00 173.10 174.52 2k8h s ALA 16 N -3.58 3.68 -0.00 3.20 0.00 -1.26 -4.69 121.76 119.11 2k8h s ALA 16 Ca 0.04 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 2k8h s ALA 16 Cb -0.02 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.93 2k8h s ALA 16 CO -0.08 0.34 0.52 -2.00 0.00 0.00 0.00 175.76 174.54 2k8h s GLU 17 N -3.38 0.94 -0.46 0.00 2.12 -1.26 -5.11 118.70 111.55 2k8h s GLU 17 Ca 0.43 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.77 2k8h s GLU 17 Cb -0.11 0.43 0.22 0.00 0.26 0.00 0.00 34.13 34.94 2k8h s GLU 17 CO 0.29 -0.31 0.69 0.41 -0.54 0.00 0.00 175.26 175.80 2k8h n GLY 18 N 0.81 0.85 3.56 -1.50 0.00 -1.26 -5.06 105.19 102.59 2k8h n GLY 18 Ca -0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2k8h n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k8h s THR 19 N 0.20 -0.49 0.26 2.61 -1.32 -1.26 -5.15 115.64 110.49 2k8h s THR 19 Ca 0.32 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 2k8h s THR 19 Cb 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2k8h s THR 19 CO -0.16 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.25 2k8h s LYS 21 N -1.77 2.35 0.64 0.00 1.02 -1.26 -4.95 119.74 115.78 2k8h s LYS 21 Ca 0.00 1.12 0.01 0.00 0.02 0.00 0.00 55.97 57.12 2k8h s LYS 21 Cb 0.00 -4.50 0.09 0.00 -0.52 0.00 0.00 37.83 32.90 2k8h s LYS 21 CO 0.00 -3.01 0.89 -1.83 -0.92 0.00 0.00 175.35 170.48 2k8h s GLU 22 N 7.70 2.06 -0.23 1.68 -1.05 -1.26 -5.05 118.70 122.54 2k8h s GLU 22 Ca 0.86 -1.02 0.20 0.00 -0.15 0.00 0.00 54.97 54.86 2k8h s GLU 22 Cb -0.16 -2.41 0.46 0.00 -0.44 0.00 0.00 34.13 31.57 2k8h s GLU 22 CO 0.24 -1.12 1.20 -1.91 0.95 0.00 0.00 175.26 174.62 2k8h n GLU 23 N -2.60 1.34 -3.80 -4.83 2.13 -1.26 -5.10 120.64 106.52 2k8h n GLU 23 Ca 0.12 -2.72 -0.12 0.00 0.66 0.00 0.00 57.16 55.10 2k8h n GLU 23 Cb 0.60 -0.88 -0.11 0.00 0.27 0.00 0.00 31.44 31.33 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2k8h s THR 24 N -2.32 0.03 0.04 6.31 -1.32 -1.26 -5.12 115.64 112.01 2k8h s THR 24 Ca 0.23 -0.24 -0.28 0.00 -1.21 0.00 0.00 61.69 60.19 2k8h s THR 24 Cb 0.34 -0.41 0.09 0.00 -1.51 0.00 0.00 72.50 71.01 2k8h s THR 24 CO -0.07 -0.13 0.95 0.00 -2.21 0.00 0.00 174.62 173.16 2k8h s ALA 25 N -0.47 -1.80 -0.04 11.08 0.00 -1.26 -4.80 121.76 124.46 2k8h s ALA 25 Ca -0.06 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2k8h s ALA 25 Cb -0.04 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2k8h s ALA 25 CO 0.01 -0.83 -0.13 -0.51 0.00 0.00 0.00 175.76 174.30 2k8h s LEU 26 N -2.65 1.82 -0.02 0.00 1.43 -1.26 -3.63 118.68 114.36 2k8h s LEU 26 Ca 0.08 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2k8h s LEU 26 Cb -0.01 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.44 2k8h s LEU 26 CO -0.05 0.10 -0.02 -0.69 0.23 0.00 0.00 176.35 175.92 2k8h s VAL 27 N 0.21 0.26 -0.07 -1.59 1.01 -0.45 -4.67 120.40 115.10 2k8h s VAL 27 Ca -0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 2k8h s VAL 27 Cb -0.11 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2k8h s VAL 27 CO 0.02 0.13 0.52 0.00 0.00 0.00 0.00 175.10 175.77 2k8h s ALA 28 N 0.59 3.49 -0.05 5.51 0.00 -0.30 -1.47 121.76 129.53 2k8h s ALA 28 Ca -0.06 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.86 2k8h s ALA 28 Cb -0.09 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2k8h s ALA 28 CO -0.01 0.09 -0.24 0.08 0.00 0.00 0.00 175.76 175.68 2k8h s VAL 29 N 0.24 1.92 -0.16 0.00 1.01 -0.43 -1.52 120.40 121.45 2k8h s VAL 29 Ca 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2k8h s VAL 29 Cb -0.16 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.62 2k8h s VAL 29 CO 0.13 0.54 -0.13 -1.59 0.00 0.00 0.00 175.10 174.05 2k8h s LYS 30 N -0.21 2.23 -0.26 2.72 0.00 -0.47 -1.41 119.74 122.35 2k8h s LYS 30 Ca -0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 55.97 55.21 2k8h s LYS 30 Cb -0.13 -2.19 -0.05 0.00 0.00 0.00 0.00 37.83 35.46 2k8h s LYS 30 CO 0.03 -0.29 0.18 0.54 0.00 0.00 0.00 175.35 175.81 2k8h s VAL 31 N 1.46 5.33 0.10 1.79 0.11 -0.45 -1.50 120.40 127.24 2k8h s VAL 31 Ca 0.03 0.19 0.08 0.00 -2.93 0.00 0.00 61.98 59.35 2k8h s VAL 31 Cb -0.14 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2k8h s VAL 31 CO -0.10 0.29 -0.14 0.68 -3.33 0.00 0.00 175.10 172.50 2k8h s VAL 32 N 1.45 3.10 0.17 2.04 -7.23 -0.47 -1.40 120.40 118.06 2k8h s VAL 32 Ca 0.07 -1.34 0.11 0.00 -1.81 0.00 0.00 61.98 59.02 2k8h s VAL 32 Cb -0.15 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2k8h s VAL 32 CO 0.08 0.14 -0.25 0.21 -0.31 0.00 0.00 175.10 174.97 2k8h s ASN 33 N -2.07 3.39 0.58 4.85 2.47 -0.78 -1.42 114.94 121.96 2k8h s ASN 33 Ca 0.19 -0.83 0.29 0.00 0.42 0.00 0.00 52.86 52.93 2k8h s ASN 33 Cb -0.11 -0.24 1.76 0.00 -1.45 0.00 0.00 41.25 41.21 2k8h s ASN 33 CO 0.11 0.14 2.23 0.00 -3.72 0.00 0.00 177.10 175.86 2k8h h ALA 34 N 3.40 1.51 0.00 1.71 0.00 -1.89 -0.51 119.26 123.48 2k8h h ALA 34 Ca -0.48 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2k8h h ALA 34 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k8h h ALA 34 CO 0.45 0.02 -0.50 -0.44 0.00 0.00 0.00 179.25 178.79 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.32 -1.95 -3.48 116.42 114.31 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k8h h ASP 35 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2k8h h ASP 35 CO 0.00 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 2k8h n GLY 36 N 1.19 2.99 3.69 2.75 0.00 -0.20 -5.09 105.19 110.53 2k8h n GLY 36 Ca 0.02 -0.80 -0.53 0.00 0.00 0.00 0.00 46.02 44.71 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 0.32 -2.61 4.61 0.00 -1.26 -4.49 120.51 117.08 2k8h n ALA 37 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 2k8h n ALA 37 Cb 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.02 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 3.69 1.00 -0.28 0.00 -1.05 -1.26 -1.88 118.70 118.93 2k8h s GLU 38 Ca 0.95 -1.10 -0.21 0.00 -0.15 0.00 0.00 54.97 54.47 2k8h s GLU 38 Cb -0.88 0.35 0.09 0.00 -0.44 0.00 0.00 34.13 33.25 2k8h s GLU 38 CO 0.58 -0.34 0.80 0.00 0.95 0.00 0.00 175.26 177.24 2k8h s MET 39 N -3.93 0.68 0.12 -4.83 0.23 -0.49 -5.00 119.30 106.08 2k8h s MET 39 Ca 0.12 0.97 0.10 0.00 -1.03 0.00 0.00 55.69 55.84 2k8h s MET 39 Cb 0.04 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2k8h s MET 39 CO -0.05 -0.11 -0.24 -0.59 -2.03 0.00 0.00 175.02 172.01 2k8h s PHE 40 N 0.90 2.03 0.04 3.16 -0.71 -1.26 -1.34 117.98 120.80 2k8h s PHE 40 Ca -0.04 -0.40 -0.27 0.00 -1.04 0.00 0.00 56.93 55.18 2k8h s PHE 40 Cb -0.05 -1.10 0.07 0.00 -1.21 0.00 0.00 43.02 40.73 2k8h s PHE 40 CO -0.09 0.27 0.62 -0.06 -1.34 0.00 0.00 175.22 174.62 2k8h s PHE 41 N -1.15 -0.57 -0.29 3.49 0.08 -0.50 -4.99 117.98 114.05 2k8h s PHE 41 Ca 0.10 0.73 -0.18 0.00 0.12 0.00 0.00 56.93 57.71 2k8h s PHE 41 Cb -0.10 0.45 -0.02 0.00 -0.57 0.00 0.00 43.02 42.78 2k8h s PHE 41 CO 0.05 -0.70 0.50 1.03 -0.10 0.00 0.00 175.22 176.00 2k8h s ARG 42 N -2.29 3.94 0.03 0.44 0.52 -1.26 -1.32 118.95 119.01 2k8h s ARG 42 Ca -0.06 0.16 -0.02 0.00 -0.52 0.00 0.00 55.73 55.29 2k8h s ARG 42 Cb -0.00 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 2k8h s ARG 42 CO -0.00 -0.42 0.01 0.42 0.02 0.00 0.00 175.30 175.33 2k8h s ILE 43 N 2.31 0.14 0.20 1.52 1.09 -0.54 -4.96 121.20 120.97 2k8h s ILE 43 Ca 0.20 -1.16 -0.32 0.00 -1.10 0.00 0.00 60.65 58.26 2k8h s ILE 43 Cb -0.16 -0.73 -0.14 0.00 -1.06 0.00 0.00 42.46 40.38 2k8h s ILE 43 CO 0.10 -0.64 1.40 0.29 -0.10 0.00 0.00 174.94 175.99 2k8h n LYS 44 N 1.03 1.85 -0.22 2.79 4.76 -1.25 -1.34 118.16 125.78 2k8h n LYS 44 Ca -0.20 0.66 0.10 0.00 -2.87 0.00 0.00 58.31 56.00 2k8h n LYS 44 Cb 0.57 -2.32 0.38 0.00 -1.84 0.00 0.00 35.03 31.83 2k8h n LYS 44 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2k8h h SER 45 N 4.47 0.63 -0.88 4.39 4.64 -1.83 -0.41 113.55 124.55 2k8h h SER 45 Ca -0.45 0.02 0.22 0.00 -0.47 0.00 0.00 61.79 61.12 2k8h h SER 45 Cb 1.29 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 2k8h h SER 45 CO 0.78 0.36 0.60 -0.09 -0.87 0.00 0.00 176.83 177.61 2k8h h ARG 46 N 0.69 0.22 -2.31 4.77 1.12 -1.86 -3.39 114.38 113.61 2k8h h ARG 46 Ca 0.38 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.16 2k8h h ARG 46 Cb 0.54 -0.05 -0.27 0.00 -0.01 0.00 0.00 29.97 30.19 2k8h h ARG 46 CO -0.15 0.15 -0.35 0.99 -3.11 0.00 0.00 179.97 177.50 2k8h s THR 47 N -5.24 -0.70 0.08 0.20 2.01 -0.16 -4.86 115.64 106.97 2k8h s THR 47 Ca -0.07 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2k8h s THR 47 Cb 0.22 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.99 2k8h s THR 47 CO 0.78 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.74 2k8h n ALA 48 N 5.40 1.03 0.26 7.40 0.00 -1.24 -3.96 120.51 129.40 2k8h n ALA 48 Ca -0.08 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.54 2k8h n ALA 48 Cb 0.49 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.87 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 0.51 0.00 7.12 -1.87 -0.21 115.31 120.87 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 0.00 -0.25 0.11 -0.13 0.00 0.00 178.44 178.17 2k8h h LYS 50 N 0.00 -0.66 0.00 1.25 1.79 -1.91 -1.09 116.57 115.96 2k8h h LYS 50 Ca 0.05 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 2k8h h LYS 50 Cb 0.38 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2k8h h LYS 50 CO -0.00 -0.36 -0.47 -0.22 -1.08 0.00 0.00 179.45 177.32 2k8h h LYS 51 N -0.95 0.00 0.26 3.15 3.64 -1.78 -0.95 116.57 119.95 2k8h h LYS 51 Ca -0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2k8h h LYS 51 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2k8h h LYS 51 CO 0.12 0.47 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.57 2k8h h LEU 52 N 0.00 -0.30 -0.66 5.20 4.07 -1.02 0.26 115.31 122.86 2k8h h LEU 52 Ca -0.00 -0.17 -0.14 0.00 0.08 0.00 0.00 57.88 57.65 2k8h h LEU 52 Cb 0.94 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2k8h h LEU 52 CO 0.06 0.01 -0.63 -0.29 -1.08 0.00 0.00 178.44 176.51 2k8h h ILE 53 N -0.63 1.41 -0.28 1.22 2.10 -1.22 -1.05 117.51 119.07 2k8h h ILE 53 Ca -0.04 -2.08 -0.18 0.00 1.08 0.00 0.00 64.86 63.65 2k8h h ILE 53 Cb 0.45 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 2k8h h ILE 53 CO 0.06 0.61 -0.52 -0.78 -1.08 0.00 0.00 178.15 176.44 2k8h h ASP 54 N 0.11 0.95 0.03 2.19 3.58 -1.14 -1.00 116.42 121.13 2k8h h ASP 54 Ca -0.01 -0.53 -0.24 0.00 0.42 0.00 0.00 57.03 56.67 2k8h h ASP 54 Cb 1.13 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.92 2k8h h ASP 54 CO 0.09 1.30 -0.90 0.74 -2.88 0.00 0.00 179.24 177.59 2k8h h THR 55 N 0.63 1.31 -0.26 2.25 2.02 -0.46 -0.99 112.91 117.41 2k8h h THR 55 Ca 0.02 -2.17 -0.07 0.00 0.77 0.00 0.00 66.41 64.96 2k8h h THR 55 Cb 1.13 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2k8h h THR 55 CO 0.12 0.67 -0.12 0.22 0.37 0.00 0.00 175.52 176.78 2k8h h TYR 56 N 0.41 0.63 -0.25 3.16 5.03 -1.21 0.84 116.97 125.57 2k8h h TYR 56 Ca -0.08 -0.15 -0.11 0.00 2.58 0.00 0.00 58.73 60.96 2k8h h TYR 56 Cb 1.53 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.67 2k8h h TYR 56 CO 0.08 0.79 -0.29 0.00 -1.32 0.00 0.00 178.16 177.43 2k8h h LYS 58 N 0.36 0.89 -0.19 0.00 3.64 -1.19 -0.41 116.57 119.68 2k8h h LYS 58 Ca 0.04 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 2k8h h LYS 58 Cb 0.86 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2k8h h LYS 58 CO 0.07 0.92 -0.01 0.87 -2.27 0.00 0.00 179.45 179.03 2k8h h LYS 59 N 0.76 0.34 0.00 1.90 1.79 -0.83 -2.60 116.57 117.92 2k8h h LYS 59 Ca 0.14 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2k8h h LYS 59 Cb 0.52 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2k8h h LYS 59 CO 0.03 0.55 0.00 1.96 -1.08 0.00 0.00 179.45 180.91 2k8h h GLN 60 N 0.08 0.00 -0.17 3.15 4.20 -1.15 -3.46 115.11 117.77 2k8h h GLN 60 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2k8h h GLN 60 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2k8h n GLY 61 N -0.82 0.71 3.04 3.46 0.00 -0.85 -5.07 105.19 105.66 2k8h n GLY 61 Ca -0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.17 -0.02 1.25 -0.61 -4.36 -0.22 -5.04 121.20 110.02 2k8h s ILE 62 Ca 0.00 0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.31 2k8h s ILE 62 Cb 0.00 -0.30 0.29 0.00 1.25 0.00 0.00 42.46 43.70 2k8h s ILE 62 CO 0.00 0.03 0.81 -0.24 0.24 0.00 0.00 174.94 175.78 2k8h n SER 63 N 3.60 -2.51 -2.45 4.36 2.88 -1.26 -4.14 113.62 114.09 2k8h n SER 63 Ca -0.19 -0.35 -0.23 0.00 -1.33 0.00 0.00 58.87 56.76 2k8h n SER 63 Cb 0.56 -1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 62.79 2k8h n SER 63 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k8h n ARG 64 N -4.67 2.54 -2.06 -1.46 -4.01 -1.26 -4.21 116.66 101.52 2k8h n ARG 64 Ca 0.04 -1.95 -0.03 0.00 -1.04 0.00 0.00 57.85 54.87 2k8h n ARG 64 Cb 0.56 -2.18 0.06 0.00 -3.04 0.00 0.00 32.46 27.86 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2k8h n ASN 65 N 1.72 2.17 -0.76 2.89 5.03 -1.26 -4.76 115.26 120.28 2k8h n ASN 65 Ca 0.50 -2.62 -0.04 0.00 0.87 0.00 0.00 54.58 53.29 2k8h n ASN 65 Cb 0.64 -0.41 -0.04 0.00 -1.02 0.00 0.00 39.78 38.95 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2k8h n SER 66 N -0.42 -0.53 -3.60 6.41 2.88 -1.26 -5.08 113.62 112.01 2k8h n SER 66 Ca 0.16 -1.52 -0.06 0.00 -1.33 0.00 0.00 58.87 56.11 2k8h n SER 66 Cb 0.91 0.16 -0.08 0.00 -0.75 0.00 0.00 64.21 64.45 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 -0.74 -0.43 2.46 -7.23 -1.26 -4.82 120.40 108.39 2k8h s VAL 67 Ca 0.00 0.10 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 2k8h s VAL 67 Cb 0.00 -0.77 0.03 0.00 0.56 0.00 0.00 36.38 36.20 2k8h s VAL 67 CO 0.00 0.03 0.39 -0.60 -0.31 0.00 0.00 175.10 174.61 2k8h s ARG 68 N 2.68 3.03 -0.45 4.82 6.06 -0.52 -4.89 118.95 129.68 2k8h s ARG 68 Ca -0.00 -0.95 -0.20 0.00 -2.50 0.00 0.00 55.73 52.07 2k8h s ARG 68 Cb -0.12 -4.00 0.03 0.00 0.06 0.00 0.00 34.95 30.91 2k8h s ARG 68 CO -0.15 -0.86 0.64 -0.06 -2.50 0.00 0.00 175.30 172.37 2k8h s PHE 69 N 1.91 3.06 0.11 5.12 0.40 -1.26 -1.35 117.98 125.97 2k8h s PHE 69 Ca 0.08 -0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.36 2k8h s PHE 69 Cb -0.19 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 39.94 2k8h s PHE 69 CO 0.11 -0.89 -0.17 -0.48 0.70 0.00 0.00 175.22 174.49 2k8h s LEU 70 N 2.79 2.76 -0.27 -0.37 0.05 -0.95 -1.02 118.68 121.65 2k8h s LEU 70 Ca 0.21 -0.51 0.01 0.00 0.05 0.00 0.00 54.13 53.89 2k8h s LEU 70 Cb -0.15 -1.60 0.07 0.00 -2.05 0.00 0.00 46.19 42.47 2k8h s LEU 70 CO 0.18 0.19 -0.01 0.12 -0.55 0.00 0.00 176.35 176.27 2k8h s PHE 71 N -1.13 2.69 -1.42 3.48 5.36 -0.37 -1.28 117.98 125.31 2k8h s PHE 71 Ca 0.18 -2.09 -0.03 0.00 -0.96 0.00 0.00 56.93 54.03 2k8h s PHE 71 Cb -0.11 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 2k8h s PHE 71 CO 0.10 -0.84 0.26 -3.47 -1.46 0.00 0.00 175.22 169.81 2k8h n ASP 72 N 4.58 -4.99 0.00 6.13 2.03 -1.26 -0.95 116.55 122.08 2k8h n ASP 72 Ca -0.07 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2k8h n ASP 72 Cb 0.43 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 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 -1.13 0.95 3.14 0.27 0.00 -1.26 -5.04 105.19 102.12 2k8h n GLY 73 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.01 4.40 -0.69 2.61 2.01 -0.13 -5.03 115.64 116.81 2k8h s THR 74 Ca 0.00 -3.51 -0.26 0.00 0.31 0.00 0.00 61.69 58.23 2k8h s THR 74 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2k8h s THR 74 CO 0.00 -1.04 1.89 -2.16 -0.69 0.00 0.00 174.62 172.62 2k8h s PRO 75 N -0.91 2.60 -0.07 4.92 0.04 -1.26 -1.24 135.00 139.08 2k8h s PRO 75 Ca 0.24 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.51 2k8h s PRO 75 Cb -0.11 -4.57 0.03 0.00 0.04 0.00 0.00 34.50 29.89 2k8h s PRO 75 CO -0.10 -2.91 0.35 0.42 0.04 0.00 0.00 177.00 174.80 2k8h s ILE 76 N 9.37 0.03 -0.70 0.56 1.01 -0.19 -4.94 121.20 126.35 2k8h s ILE 76 Ca 0.68 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 61.02 2k8h s ILE 76 Cb -0.11 -0.59 0.18 0.00 0.01 0.00 0.00 42.46 41.95 2k8h s ILE 76 CO 0.15 -0.14 0.54 -1.81 0.00 0.00 0.00 174.94 173.68 2k8h s ASP 77 N -0.69 5.64 -0.08 3.58 1.01 -1.26 -4.54 116.67 120.32 2k8h s ASP 77 Ca -0.08 -2.89 -0.32 0.00 0.71 0.00 0.00 52.55 49.97 2k8h s ASP 77 Cb -0.04 -1.94 0.13 0.00 1.01 0.00 0.00 42.92 42.08 2k8h s ASP 77 CO 0.03 -0.40 1.40 -1.61 0.21 0.00 0.00 175.17 174.80 2k8h s GLU 78 N -0.13 0.07 -0.03 8.23 2.02 -1.26 -5.03 118.70 122.58 2k8h s GLU 78 Ca 0.18 -0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.19 2k8h s GLU 78 Cb -0.17 0.02 0.17 0.00 0.10 0.00 0.00 34.13 34.25 2k8h s GLU 78 CO -0.05 -0.03 1.13 -2.37 0.02 0.00 0.00 175.26 173.95 2k8h n THR 79 N -0.65 1.19 -0.03 3.63 5.66 -1.26 -4.56 114.28 118.26 2k8h n THR 79 Ca -0.05 -1.20 -0.03 0.00 -3.05 0.00 0.00 64.05 59.72 2k8h n THR 79 Cb 0.62 0.37 -0.04 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.28 2.38 0.20 1.09 4.76 -1.26 -4.20 118.16 120.85 2k8h n LYS 80 Ca 0.07 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 2k8h n LYS 80 Cb 0.39 -1.14 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 2k8h n LYS 80 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2k8h h THR 81 N 0.00 0.36 0.00 -0.18 2.02 -1.97 -0.92 112.91 112.22 2k8h h THR 81 Ca -0.15 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 2k8h h THR 81 Cb 1.32 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2k8h h THR 81 CO 0.00 0.07 -0.38 1.55 0.37 0.00 0.00 175.52 177.13 2k8h h PRO 82 N -1.00 0.00 0.02 6.66 0.13 -1.86 -1.45 132.00 134.51 2k8h h PRO 82 Ca -0.06 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.83 2k8h h PRO 82 Cb 0.55 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 2k8h h PRO 82 CO 0.09 0.38 -1.00 1.05 -0.23 0.00 0.00 178.00 178.29 2k8h h GLU 83 N 0.00 0.43 0.00 0.86 -0.00 -1.73 -0.32 114.58 113.82 2k8h h GLU 83 Ca -0.00 -0.49 -0.14 0.00 -0.00 0.00 0.00 59.36 58.72 2k8h h GLU 83 Cb 0.78 0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 29.65 2k8h h GLU 83 CO 0.05 1.15 -0.67 1.49 -0.00 0.00 0.00 179.01 181.03 2k8h h GLU 84 N 0.23 0.00 0.07 1.06 4.22 -1.04 0.73 114.58 119.85 2k8h h GLU 84 Ca -0.10 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 59.05 2k8h h GLU 84 Cb 1.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 2k8h h GLU 84 CO 0.18 0.67 -1.51 1.25 -2.18 0.00 0.00 179.01 177.42 2k8h h LEU 85 N 0.00 0.25 0.00 1.64 6.46 -1.29 -3.40 115.31 118.97 2k8h h LEU 85 Ca -0.01 -0.36 -0.14 0.00 -0.12 0.00 0.00 57.88 57.25 2k8h h LEU 85 Cb 1.49 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.32 2k8h h LEU 85 CO 0.09 1.31 -1.00 0.61 -0.62 0.00 0.00 178.44 178.82 2k8h n GLY 86 N 1.61 -0.87 3.17 3.75 0.00 -0.13 -5.01 105.19 107.71 2k8h n GLY 86 Ca -0.15 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.50 -6.30 -4.03 1.61 2.81 0.25 -5.02 117.12 101.95 2k8h n MET 87 Ca -0.22 0.69 -0.09 0.00 -1.81 0.00 0.00 57.70 56.27 2k8h n MET 87 Cb 0.52 -5.31 -0.09 0.00 -0.71 0.00 0.00 33.22 27.63 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 -5.80 0.90 -0.12 0.03 2.12 -1.26 -5.03 118.70 109.53 2k8h s GLU 88 Ca 0.34 -1.23 0.07 0.00 0.36 0.00 0.00 54.97 54.51 2k8h s GLU 88 Cb -0.15 0.29 0.42 0.00 0.26 0.00 0.00 34.13 34.95 2k8h s GLU 88 CO 0.61 -0.27 1.15 -0.40 -0.54 0.00 0.00 175.26 175.80 2k8h n ASP 89 N -0.07 3.43 -2.37 -1.70 5.75 -1.26 -4.05 116.55 116.27 2k8h n ASP 89 Ca -0.10 -2.49 -0.18 0.00 -0.01 0.00 0.00 54.79 52.01 2k8h n ASP 89 Cb 0.63 -0.60 0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.30 3.82 -4.63 -1.12 9.92 -1.19 -1.14 116.55 122.51 2k8h n ASP 90 Ca 0.15 -3.29 -0.43 0.00 -0.53 0.00 0.00 54.79 50.69 2k8h n ASP 90 Cb 0.75 -0.42 -0.02 0.00 -0.64 0.00 0.00 41.12 40.78 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k8h s ASP 91 N -3.57 6.63 -0.04 -2.24 2.15 -0.58 -4.92 116.67 114.10 2k8h s ASP 91 Ca 0.43 1.26 0.01 0.00 0.43 0.00 0.00 52.55 54.67 2k8h s ASP 91 Cb 0.40 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.44 2k8h s ASP 91 CO -0.03 -1.11 -0.03 0.68 -0.17 0.00 0.00 175.17 174.51 2k8h s VAL 92 N 4.49 3.99 -0.06 1.11 -7.23 -1.26 -1.36 120.40 120.08 2k8h s VAL 92 Ca 0.58 -0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 60.22 2k8h s VAL 92 Cb -0.18 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.08 2k8h s VAL 92 CO 0.24 0.49 0.02 0.27 -0.31 0.00 0.00 175.10 175.81 2k8h s ILE 93 N -0.95 0.22 -0.24 -0.62 -4.36 -0.56 -4.23 121.20 110.45 2k8h s ILE 93 Ca 0.16 0.22 -0.09 0.00 -0.26 0.00 0.00 60.65 60.68 2k8h s ILE 93 Cb -0.11 -0.41 -0.04 0.00 1.25 0.00 0.00 42.46 43.15 2k8h s ILE 93 CO 0.06 0.23 0.11 -0.62 0.24 0.00 0.00 174.94 174.96 2k8h s ASP 94 N 2.02 5.60 -0.32 4.36 -1.08 -0.40 -1.36 116.67 125.49 2k8h s ASP 94 Ca 0.05 -0.06 -0.23 0.00 -0.52 0.00 0.00 52.55 51.80 2k8h s ASP 94 Cb -0.12 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 2k8h s ASP 94 CO -0.04 0.01 0.75 0.00 0.52 0.00 0.00 175.17 176.41 2k8h s ALA 95 N 1.35 3.51 0.19 3.66 0.00 -0.50 -2.25 121.76 127.71 2k8h s ALA 95 Ca 0.06 -0.54 0.11 0.00 0.00 0.00 0.00 51.96 51.59 2k8h s ALA 95 Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2k8h s ALA 95 CO 0.05 -1.24 -0.19 1.41 0.00 0.00 0.00 175.76 175.79 2k8h s MET 96 N 2.90 1.70 -0.08 0.00 1.75 -0.45 -3.82 119.30 121.29 2k8h s MET 96 Ca 0.30 -1.43 -0.21 0.00 -1.25 0.00 0.00 55.69 53.10 2k8h s MET 96 Cb -0.14 -1.95 -0.04 0.00 2.84 0.00 0.00 34.83 35.54 2k8h s MET 96 CO 0.13 0.41 0.61 0.08 -0.65 0.00 0.00 175.02 175.61 2k8h s VAL 97 N -1.66 5.08 -0.11 10.11 1.01 -1.26 -1.44 120.40 132.12 2k8h s VAL 97 Ca 0.22 1.26 0.15 0.00 0.00 0.00 0.00 61.98 63.61 2k8h s VAL 97 Cb -0.08 -3.95 0.35 0.00 0.00 0.00 0.00 36.38 32.69 2k8h s VAL 97 CO 0.11 0.30 1.17 -1.84 0.00 0.00 0.00 175.10 174.84 2k8h n GLU 98 N 3.62 0.92 -3.89 2.72 0.28 -1.26 -5.02 120.64 118.01 2k8h n GLU 98 Ca -0.04 -2.55 -0.08 0.00 -0.16 0.00 0.00 57.16 54.34 2k8h n GLU 98 Cb 0.51 -1.03 -0.03 0.00 1.43 0.00 0.00 31.44 32.33 2k8h n GLU 98 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2k8h s GLN 99 N -1.92 1.75 0.08 3.44 0.74 -1.26 -5.14 119.66 117.35 2k8h s GLN 99 Ca 0.31 -1.08 0.03 0.00 0.05 0.00 0.00 55.36 54.67 2k8h s GLN 99 Cb 0.31 0.58 -0.03 0.00 1.10 0.00 0.00 33.01 34.97 2k8h s GLN 99 CO -0.07 -0.79 -0.08 -0.08 -0.55 0.00 0.00 175.29 173.72 2k8h s THR 100 N -3.86 0.73 0.00 -0.34 -1.32 -1.26 -5.01 115.64 104.58 2k8h s THR 100 Ca 0.14 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 2k8h s THR 100 Cb -0.05 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2k8h s THR 100 CO 0.08 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.51 2k8h n GLY 101 N 0.69 1.76 0.00 6.08 0.00 -1.26 -5.26 105.19 107.19 2k8h n GLY 101 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93