#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 3.71 -0.30 3.17 1.04 -1.26 -5.08 113.70 114.98 2k8h s SER 2 Ca 0.00 1.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.33 2k8h s SER 2 Cb 0.00 -1.64 0.17 0.00 0.10 0.00 0.00 66.02 64.65 2k8h s SER 2 CO 0.00 -2.43 0.94 0.20 0.98 0.00 0.00 173.24 172.92 2k8h s ASN 3 N -4.01 -0.68 -0.15 7.02 -0.87 -1.26 -5.17 114.94 109.82 2k8h s ASN 3 Ca 0.63 0.74 -0.30 0.00 -1.57 0.00 0.00 52.86 52.36 2k8h s ASN 3 Cb -0.15 1.70 0.13 0.00 -0.02 0.00 0.00 41.25 42.91 2k8h s ASN 3 CO 0.53 -0.13 1.05 0.21 -2.57 0.00 0.00 177.10 176.19 2k8h s ASN 4 N 2.65 -0.30 0.01 -1.22 2.47 -1.26 -5.19 114.94 112.10 2k8h s ASN 4 Ca 0.00 0.22 -0.29 0.00 0.42 0.00 0.00 52.86 53.21 2k8h s ASN 4 Cb -0.08 0.26 0.11 0.00 -1.45 0.00 0.00 41.25 40.09 2k8h s ASN 4 CO -0.16 -0.34 1.25 -0.83 -3.72 0.00 0.00 177.10 173.29 2k8h s GLY 5 N -1.53 -0.33 -0.21 1.21 0.00 -1.26 -5.18 107.32 100.02 2k8h s GLY 5 Ca 0.02 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 2k8h s GLY 5 CO -0.03 1.06 0.75 -0.32 0.00 0.00 0.00 173.10 174.57 2k8h s GLY 6 N -3.13 -0.51 0.26 0.20 0.00 -1.26 -5.18 107.32 97.72 2k8h s GLY 6 Ca 0.17 1.90 0.08 0.00 0.00 0.00 0.00 44.72 46.87 2k8h s GLY 6 CO -0.02 1.53 0.15 -0.54 0.00 0.00 0.00 173.10 174.22 2k8h s GLU 7 N -0.09 2.74 0.40 2.90 2.02 -1.26 -5.10 118.70 120.31 2k8h s GLU 7 Ca -0.03 -1.18 -0.25 0.00 0.02 0.00 0.00 54.97 53.53 2k8h s GLU 7 Cb -0.04 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.67 2k8h s GLU 7 CO 0.03 0.36 1.19 -1.25 0.02 0.00 0.00 175.26 175.60 2k8h s PRO 8 N -3.81 4.02 -0.10 0.39 0.04 -1.26 -4.96 135.00 129.31 2k8h s PRO 8 Ca 0.33 1.88 0.17 0.00 0.04 0.00 0.00 61.00 63.42 2k8h s PRO 8 Cb -0.07 -2.67 0.34 0.00 0.04 0.00 0.00 34.50 32.14 2k8h s PRO 8 CO 0.24 -0.36 1.17 0.43 0.04 0.00 0.00 177.00 178.52 2k8h n SER 9 N 0.05 0.29 -4.74 6.66 7.64 -1.26 -5.13 113.62 117.13 2k8h n SER 9 Ca 0.04 -2.03 -0.29 0.00 1.01 0.00 0.00 58.87 57.60 2k8h n SER 9 Cb 0.46 -0.05 0.15 0.00 -1.01 0.00 0.00 64.21 63.76 2k8h n SER 9 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2k8h s ASN 10 N -2.03 3.14 0.07 6.43 0.01 -1.26 -5.07 114.94 116.23 2k8h s ASN 10 Ca 0.21 1.06 -0.13 0.00 -0.71 0.00 0.00 52.86 53.29 2k8h s ASN 10 Cb 0.29 -1.68 0.04 0.00 0.41 0.00 0.00 41.25 40.31 2k8h s ASN 10 CO -0.09 -2.79 0.61 -0.46 -1.51 0.00 0.00 177.10 172.85 2k8h n ASN 11 N -3.94 -0.89 -0.65 -1.22 6.94 -1.26 -5.06 115.26 109.18 2k8h n ASN 11 Ca 0.06 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 2k8h n ASN 11 Cb 0.58 1.44 0.00 0.00 -2.36 0.00 0.00 39.78 39.44 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k8h n GLY 12 N -0.43 0.61 0.80 4.83 0.00 -1.26 -5.03 105.19 104.72 2k8h n GLY 12 Ca -0.00 -0.35 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 -0.65 0.00 3.56 -0.02 0.00 -1.26 -5.00 105.19 101.81 2k8h n GLY 13 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k8h n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 14 N -1.50 3.41 -0.30 1.61 0.41 -1.26 -4.89 118.70 116.18 2k8h s GLU 14 Ca 0.00 -0.74 -0.19 0.00 -0.41 0.00 0.00 54.97 53.62 2k8h s GLU 14 Cb 0.00 -4.88 0.20 0.00 -1.78 0.00 0.00 34.13 27.67 2k8h s GLU 14 CO 0.00 -2.21 1.29 0.20 -0.49 0.00 0.00 175.26 174.05 2k8h s GLY 15 N 4.57 0.46 -0.11 -1.39 0.00 -1.26 -5.16 107.32 104.43 2k8h s GLY 15 Ca 0.42 3.64 -0.04 0.00 0.00 0.00 0.00 44.72 48.74 2k8h s GLY 15 CO 0.00 2.43 0.06 0.00 0.00 0.00 0.00 173.10 175.60 2k8h s ALA 16 N 0.68 3.53 -0.01 3.20 0.00 -1.26 -5.11 121.76 122.79 2k8h s ALA 16 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2k8h s ALA 16 Cb -0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2k8h s ALA 16 CO -0.12 0.56 0.03 -2.00 0.00 0.00 0.00 175.76 174.23 2k8h s GLU 17 N -0.83 2.90 1.26 0.00 2.56 -1.26 -5.12 118.70 118.21 2k8h s GLU 17 Ca 0.13 -0.55 -0.21 0.00 0.00 0.00 0.00 54.97 54.34 2k8h s GLU 17 Cb -0.12 -2.75 0.32 0.00 2.00 0.00 0.00 34.13 33.58 2k8h s GLU 17 CO 0.03 0.64 1.02 0.41 -0.56 0.00 0.00 175.26 176.80 2k8h n GLY 18 N 1.39 -3.04 2.70 -1.50 0.00 -1.26 -5.02 105.19 98.46 2k8h n GLY 18 Ca -0.14 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 2k8h n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8h n THR 19 N -5.04 1.31 -4.64 2.61 -1.04 -1.26 -5.13 114.28 101.10 2k8h n THR 19 Ca 0.15 -3.17 0.02 0.00 -2.04 0.00 0.00 64.05 59.01 2k8h n THR 19 Cb 0.58 0.76 -0.00 0.00 -1.82 0.00 0.00 70.33 69.85 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k8h s LYS 21 N -0.18 2.46 -0.02 0.00 -0.14 -1.26 -5.12 119.74 115.48 2k8h s LYS 21 Ca 0.00 -0.65 -0.02 0.00 -1.36 0.00 0.00 55.97 53.95 2k8h s LYS 21 Cb 0.00 -2.08 0.01 0.00 -1.68 0.00 0.00 37.83 34.08 2k8h s LYS 21 CO 0.00 -0.07 0.05 -2.00 -0.76 0.00 0.00 175.35 172.57 2k8h s GLU 22 N 1.00 0.05 0.38 1.68 2.56 -1.26 -5.11 118.70 118.00 2k8h s GLU 22 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.97 54.99 2k8h s GLU 22 Cb -0.15 0.02 0.00 0.00 2.00 0.00 0.00 34.13 36.00 2k8h s GLU 22 CO -0.03 -0.01 0.00 0.39 -0.56 0.00 0.00 175.26 175.05 2k8h n GLU 23 N 3.10 -2.63 -4.44 4.30 1.02 -1.26 -4.95 120.64 115.78 2k8h n GLU 23 Ca -0.13 1.89 -0.20 0.00 -0.02 0.00 0.00 57.16 58.70 2k8h n GLU 23 Cb 0.59 -3.16 -0.14 0.00 -0.02 0.00 0.00 31.44 28.71 2k8h n GLU 23 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2k8h s THR 24 N -2.75 1.02 -0.09 2.62 -4.23 -1.26 -5.15 115.64 105.80 2k8h s THR 24 Ca 0.00 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.46 2k8h s THR 24 Cb 0.00 -0.89 0.11 0.00 1.34 0.00 0.00 72.50 73.07 2k8h s THR 24 CO 0.00 0.13 0.94 0.00 -0.54 0.00 0.00 174.62 175.15 2k8h s ALA 25 N -0.57 -1.88 -0.10 3.99 0.00 -1.26 -5.14 121.76 116.79 2k8h s ALA 25 Ca 0.03 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.34 2k8h s ALA 25 Cb -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2k8h s ALA 25 CO 0.00 -0.48 -0.16 -0.51 0.00 0.00 0.00 175.76 174.62 2k8h s LEU 26 N -1.72 1.75 -0.04 0.00 1.43 -1.26 -4.16 118.68 114.67 2k8h s LEU 26 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2k8h s LEU 26 Cb -0.01 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2k8h s LEU 26 CO -0.03 0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.80 2k8h s VAL 27 N 0.87 0.91 -0.02 -1.59 1.01 -0.50 -4.67 120.40 116.41 2k8h s VAL 27 Ca -0.09 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 2k8h s VAL 27 Cb -0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2k8h s VAL 27 CO 0.00 0.29 0.42 0.00 0.00 0.00 0.00 175.10 175.81 2k8h s ALA 28 N 0.39 3.65 0.01 5.51 0.00 -0.10 -1.44 121.76 129.78 2k8h s ALA 28 Ca -0.07 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.75 2k8h s ALA 28 Cb -0.12 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2k8h s ALA 28 CO 0.01 0.38 -0.22 0.08 0.00 0.00 0.00 175.76 176.02 2k8h s VAL 29 N -0.74 1.73 -0.16 0.00 1.01 -0.48 -1.67 120.40 120.10 2k8h s VAL 29 Ca 0.24 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2k8h s VAL 29 Cb -0.16 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.79 2k8h s VAL 29 CO 0.13 0.38 -0.04 -1.59 0.00 0.00 0.00 175.10 173.98 2k8h s LYS 30 N -0.80 1.26 -0.26 2.72 -2.85 -0.32 -1.38 119.74 118.11 2k8h s LYS 30 Ca 0.08 -0.45 -0.09 0.00 -1.00 0.00 0.00 55.97 54.51 2k8h s LYS 30 Cb -0.09 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.72 2k8h s LYS 30 CO 0.00 -0.45 0.13 0.54 0.10 0.00 0.00 175.35 175.68 2k8h s VAL 31 N 1.69 4.85 0.24 1.79 0.11 -0.35 -1.42 120.40 127.30 2k8h s VAL 31 Ca 0.01 0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2k8h s VAL 31 Cb -0.15 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 2k8h s VAL 31 CO -0.07 0.29 -0.11 0.68 -3.33 0.00 0.00 175.10 172.55 2k8h s VAL 32 N 1.67 2.96 0.09 2.04 -7.23 -0.26 -1.50 120.40 118.17 2k8h s VAL 32 Ca 0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2k8h s VAL 32 Cb -0.16 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2k8h s VAL 32 CO 0.07 -0.28 -0.12 0.20 -0.31 0.00 0.00 175.10 174.66 2k8h s ASN 33 N -3.28 1.62 0.57 4.85 -0.87 -0.83 -1.54 114.94 115.46 2k8h s ASN 33 Ca 0.28 -0.73 0.29 0.00 -1.57 0.00 0.00 52.86 51.13 2k8h s ASN 33 Cb -0.07 -0.03 1.70 0.00 -0.02 0.00 0.00 41.25 42.84 2k8h s ASN 33 CO 0.16 -0.17 2.19 0.00 -2.57 0.00 0.00 177.10 176.71 2k8h h ALA 34 N 3.86 1.40 0.00 0.60 0.00 -1.89 -0.93 119.26 122.30 2k8h h ALA 34 Ca -0.39 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 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 0.06 -0.43 0.22 0.00 0.00 0.00 179.25 179.57 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.58 -1.95 -3.47 116.42 114.57 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 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k8h h ASP 35 CO 0.01 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 2k8h n GLY 36 N 0.82 2.97 3.69 -0.78 0.00 -0.35 -5.08 105.19 106.45 2k8h n GLY 36 Ca 0.01 -0.83 -0.52 0.00 0.00 0.00 0.00 46.02 44.68 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 0.38 -3.04 4.61 0.00 -1.26 -4.56 120.51 116.63 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 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 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 3.45 0.92 -0.07 0.00 -1.05 -1.26 -1.96 118.70 118.73 2k8h s GLU 38 Ca 0.94 -0.53 -0.31 0.00 -0.15 0.00 0.00 54.97 54.92 2k8h s GLU 38 Cb -0.86 0.40 0.08 0.00 -0.44 0.00 0.00 34.13 33.31 2k8h s GLU 38 CO 0.56 -0.32 0.72 0.00 0.95 0.00 0.00 175.26 177.17 2k8h s MET 39 N -2.92 0.99 0.12 -4.83 0.23 -0.56 -5.01 119.30 107.32 2k8h s MET 39 Ca -0.02 0.27 0.07 0.00 -1.03 0.00 0.00 55.69 54.97 2k8h s MET 39 Cb 0.00 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 2k8h s MET 39 CO -0.06 -0.30 -0.16 -0.59 -2.03 0.00 0.00 175.02 171.88 2k8h s PHE 40 N -1.12 1.52 -0.13 3.16 -0.71 -1.26 -1.21 117.98 118.22 2k8h s PHE 40 Ca -0.09 -0.51 -0.27 0.00 -1.04 0.00 0.00 56.93 55.01 2k8h s PHE 40 Cb -0.00 -0.79 0.07 0.00 -1.21 0.00 0.00 43.02 41.08 2k8h s PHE 40 CO 0.09 0.18 0.67 0.12 -1.34 0.00 0.00 175.22 174.94 2k8h s PHE 41 N -1.92 -0.68 -0.20 3.49 2.19 -0.48 -5.00 117.98 115.38 2k8h s PHE 41 Ca 0.09 1.38 -0.12 0.00 0.33 0.00 0.00 56.93 58.61 2k8h s PHE 41 Cb -0.06 0.34 -0.05 0.00 -1.31 0.00 0.00 43.02 41.94 2k8h s PHE 41 CO 0.04 -0.50 0.24 0.50 1.83 0.00 0.00 175.22 177.33 2k8h s ARG 42 N -0.57 4.17 0.15 10.12 3.52 -1.26 -1.38 118.95 133.70 2k8h s ARG 42 Ca -0.07 -0.06 -0.23 0.00 -0.13 0.00 0.00 55.73 55.24 2k8h s ARG 42 Cb -0.02 -3.48 0.07 0.00 -1.56 0.00 0.00 34.95 29.95 2k8h s ARG 42 CO 0.06 0.13 0.63 -1.50 -0.81 0.00 0.00 175.30 173.81 2k8h s ILE 43 N 0.81 0.00 0.22 4.11 2.07 -0.52 -4.96 121.20 122.93 2k8h s ILE 43 Ca 0.12 -0.04 -0.32 0.00 -1.41 0.00 0.00 60.65 59.00 2k8h s ILE 43 Cb -0.13 -1.04 -0.14 0.00 0.13 0.00 0.00 42.46 41.28 2k8h s ILE 43 CO 0.04 0.00 1.42 0.29 -1.91 0.00 0.00 174.94 174.78 2k8h n LYS 44 N -0.37 1.99 -0.04 3.50 4.76 -1.26 -1.40 118.16 125.33 2k8h n LYS 44 Ca -0.16 0.71 0.23 0.00 -2.87 0.00 0.00 58.31 56.22 2k8h n LYS 44 Cb 0.65 -2.38 0.72 0.00 -1.84 0.00 0.00 35.03 32.17 2k8h n LYS 44 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2k8h h SER 45 N 4.49 0.00 -0.99 4.39 0.02 -1.84 -0.21 113.55 119.41 2k8h h SER 45 Ca -0.45 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 60.69 2k8h h SER 45 Cb 1.28 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.72 2k8h h SER 45 CO 0.78 0.00 0.61 -0.09 -1.14 0.00 0.00 176.83 176.99 2k8h h ARG 46 N 0.00 0.71 -3.16 3.45 9.65 -1.88 -3.39 114.38 119.76 2k8h h ARG 46 Ca 0.30 -0.04 -0.32 0.00 -1.10 0.00 0.00 59.98 58.82 2k8h h ARG 46 Cb 1.29 -0.16 -0.37 0.00 -1.39 0.00 0.00 29.97 29.34 2k8h h ARG 46 CO -0.00 0.47 -0.67 0.99 2.80 0.00 0.00 179.97 183.56 2k8h s THR 47 N -5.79 -0.21 0.06 0.20 2.01 -0.09 -4.78 115.64 107.03 2k8h s THR 47 Ca -0.11 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2k8h s THR 47 Cb 0.24 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.51 2k8h s THR 47 CO 0.80 0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.89 2k8h n ALA 48 N 5.29 0.14 0.33 7.40 0.00 -1.26 -4.26 120.51 128.14 2k8h n ALA 48 Ca -0.05 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.60 2k8h n ALA 48 Cb 0.50 0.00 1.12 0.00 0.00 0.00 0.00 19.45 21.07 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 0.50 0.00 7.12 -1.87 -0.49 115.31 120.57 2k8h h LEU 49 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 2k8h h LEU 49 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2k8h h LEU 49 CO 0.00 0.00 -0.24 0.11 -0.13 0.00 0.00 178.44 178.18 2k8h h LYS 50 N 0.00 -0.64 0.00 1.25 1.79 -1.91 -1.18 116.57 115.87 2k8h h LYS 50 Ca -0.00 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 2k8h h LYS 50 Cb 0.00 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2k8h h LYS 50 CO 0.00 -0.34 -0.47 -0.22 -1.08 0.00 0.00 179.45 177.34 2k8h h LYS 51 N -1.00 0.00 0.26 3.15 3.64 -1.85 -0.82 116.57 119.96 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 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2k8h h LYS 51 CO 0.11 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 -0.71 5.20 4.07 -1.10 0.25 115.31 122.73 2k8h h LEU 52 Ca -0.00 -0.18 -0.14 0.00 0.08 0.00 0.00 57.88 57.64 2k8h h LEU 52 Cb 0.94 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 2k8h h LEU 52 CO 0.06 0.03 -0.60 -0.29 -1.08 0.00 0.00 178.44 176.56 2k8h h ILE 53 N -0.65 1.40 -0.24 1.22 2.10 -1.23 -1.17 117.51 118.93 2k8h h ILE 53 Ca -0.04 -2.01 -0.17 0.00 1.08 0.00 0.00 64.86 63.73 2k8h h ILE 53 Cb 0.46 2.04 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 2k8h h ILE 53 CO 0.06 0.59 -0.51 0.44 -1.08 0.00 0.00 178.15 177.65 2k8h h ASP 54 N 0.11 0.86 -0.12 2.19 5.19 -1.13 -1.17 116.42 122.36 2k8h h ASP 54 Ca -0.01 -0.55 -0.21 0.00 -0.62 0.00 0.00 57.03 55.64 2k8h h ASP 54 Cb 1.09 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.36 2k8h h ASP 54 CO 0.09 1.25 -0.73 0.74 -3.12 0.00 0.00 179.24 177.47 2k8h h THR 55 N 0.50 1.29 -0.13 0.35 2.02 -0.46 -0.98 112.91 115.50 2k8h h THR 55 Ca 0.00 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 2k8h h THR 55 Cb 1.12 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2k8h h THR 55 CO 0.11 0.62 -0.03 0.22 0.37 0.00 0.00 175.52 176.80 2k8h h TYR 56 N 0.53 0.28 -0.40 3.16 5.03 -1.24 0.16 116.97 124.49 2k8h h TYR 56 Ca -0.04 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.14 2k8h h TYR 56 Cb 1.35 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 2k8h h TYR 56 CO 0.08 0.55 -0.03 0.00 -1.32 0.00 0.00 178.16 177.44 2k8h h LYS 58 N 0.55 0.92 -0.25 0.00 3.64 -1.18 -2.05 116.57 118.21 2k8h h LYS 58 Ca 0.11 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2k8h h LYS 58 Cb 0.52 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2k8h h LYS 58 CO 0.03 0.99 0.09 -0.22 -2.27 0.00 0.00 179.45 178.06 2k8h h LYS 59 N 0.78 0.38 0.00 1.90 3.64 -0.59 -2.18 116.57 120.50 2k8h h LYS 59 Ca 0.13 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2k8h h LYS 59 Cb 0.63 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2k8h h LYS 59 CO 0.04 0.44 0.00 0.37 -2.27 0.00 0.00 179.45 178.03 2k8h h GLN 60 N 0.24 0.00 0.00 1.90 4.15 -1.16 -3.45 115.11 116.78 2k8h h GLN 60 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2k8h h GLN 60 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2k8h h GLN 60 CO -0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 2k8h n GLY 61 N -1.02 0.59 2.95 2.39 0.00 -0.82 -5.06 105.19 104.22 2k8h n GLY 61 Ca -0.03 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 0.50 1.26 -0.61 -5.25 -0.79 -5.05 121.20 109.26 2k8h s ILE 62 Ca 0.00 -0.22 -0.17 0.00 -0.99 0.00 0.00 60.65 59.27 2k8h s ILE 62 Cb 0.00 -0.46 0.29 0.00 2.95 0.00 0.00 42.46 45.24 2k8h s ILE 62 CO 0.00 0.17 0.81 -0.24 -1.79 0.00 0.00 174.94 173.88 2k8h n SER 63 N 3.27 -2.61 -2.42 4.36 2.88 -1.26 -4.18 113.62 113.66 2k8h n SER 63 Ca -0.17 -0.38 -0.22 0.00 -1.33 0.00 0.00 58.87 56.77 2k8h n SER 63 Cb 0.55 -1.12 -0.10 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 -4.71 2.53 -2.20 -1.46 -4.01 -1.26 -4.15 116.66 101.40 2k8h n ARG 64 Ca 0.05 -1.77 -0.02 0.00 -1.04 0.00 0.00 57.85 55.07 2k8h n ARG 64 Cb 0.56 -2.19 0.05 0.00 -3.04 0.00 0.00 32.46 27.84 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 2.02 1.92 -1.54 2.89 4.13 -1.26 -4.81 115.26 118.60 2k8h n ASN 65 Ca 0.50 -2.40 -0.03 0.00 1.68 0.00 0.00 54.58 54.33 2k8h n ASN 65 Cb 0.67 -0.42 0.02 0.00 -1.54 0.00 0.00 39.78 38.51 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 -0.36 -0.75 -3.66 6.41 2.88 -1.26 -5.10 113.62 111.78 2k8h n SER 66 Ca 0.13 -1.48 -0.08 0.00 -1.33 0.00 0.00 58.87 56.11 2k8h n SER 66 Cb 0.91 0.30 -0.09 0.00 -0.75 0.00 0.00 64.21 64.58 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 0.04 -0.61 -0.44 2.46 -7.23 -1.26 -4.54 120.40 108.82 2k8h s VAL 67 Ca 0.03 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.16 2k8h s VAL 67 Cb 0.14 -0.70 0.03 0.00 0.56 0.00 0.00 36.38 36.41 2k8h s VAL 67 CO -0.04 0.06 0.50 -0.13 -0.31 0.00 0.00 175.10 175.18 2k8h s ARG 68 N 2.51 3.12 -0.48 4.82 0.52 -0.52 -4.91 118.95 124.00 2k8h s ARG 68 Ca -0.03 -0.76 -0.16 0.00 -0.52 0.00 0.00 55.73 54.26 2k8h s ARG 68 Cb -0.12 -4.00 0.08 0.00 0.52 0.00 0.00 34.95 31.43 2k8h s ARG 68 CO -0.14 -0.96 0.43 -0.06 0.02 0.00 0.00 175.30 174.59 2k8h s PHE 69 N 2.30 3.22 0.28 -0.53 0.40 -1.26 -1.38 117.98 121.01 2k8h s PHE 69 Ca 0.14 -0.91 0.11 0.00 -0.60 0.00 0.00 56.93 55.67 2k8h s PHE 69 Cb -0.17 -3.26 -0.05 0.00 0.51 0.00 0.00 43.02 40.05 2k8h s PHE 69 CO 0.14 -0.84 -0.13 -0.48 0.70 0.00 0.00 175.22 174.61 2k8h s LEU 70 N 1.75 2.80 -0.32 -0.37 0.05 -1.08 -0.98 118.68 120.53 2k8h s LEU 70 Ca 0.05 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.33 2k8h s LEU 70 Cb -0.24 -1.31 0.10 0.00 -2.05 0.00 0.00 46.19 42.69 2k8h s LEU 70 CO 0.07 0.02 0.09 0.12 -0.55 0.00 0.00 176.35 176.10 2k8h s PHE 71 N -2.45 2.12 -1.28 3.48 5.36 -0.10 -1.13 117.98 123.98 2k8h s PHE 71 Ca 0.31 -1.99 0.00 0.00 -0.96 0.00 0.00 56.93 54.29 2k8h s PHE 71 Cb -0.05 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 2k8h s PHE 71 CO 0.17 -0.89 0.00 -3.47 -1.46 0.00 0.00 175.22 169.57 2k8h n ASP 72 N 4.73 -4.48 0.00 6.13 2.03 -1.26 -0.99 116.55 122.71 2k8h n ASP 72 Ca -0.01 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2k8h n ASP 72 Cb 0.42 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 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 -0.85 1.03 3.14 0.27 0.00 -1.26 -5.06 105.19 102.47 2k8h n GLY 73 Ca -0.18 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 4.42 -0.77 2.61 2.01 -0.16 -5.03 115.64 116.72 2k8h s THR 74 Ca 0.00 -3.41 -0.25 0.00 0.31 0.00 0.00 61.69 58.33 2k8h s THR 74 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k8h s THR 74 CO 0.00 -1.03 1.91 -2.16 -0.69 0.00 0.00 174.62 172.65 2k8h s PRO 75 N -0.80 2.59 -0.08 4.92 0.04 -1.26 -0.92 135.00 139.49 2k8h s PRO 75 Ca 0.23 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.24 2k8h s PRO 75 Cb -0.12 -4.76 0.03 0.00 0.04 0.00 0.00 34.50 29.69 2k8h s PRO 75 CO -0.09 -3.09 0.37 0.42 0.04 0.00 0.00 177.00 174.64 2k8h s ILE 76 N 9.64 0.02 -0.73 0.56 1.01 -0.16 -4.94 121.20 126.62 2k8h s ILE 76 Ca 0.69 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 2k8h s ILE 76 Cb -0.09 -0.59 0.19 0.00 0.01 0.00 0.00 42.46 41.97 2k8h s ILE 76 CO 0.09 -0.11 0.59 -1.81 0.00 0.00 0.00 174.94 173.70 2k8h s ASP 77 N -0.53 5.86 -0.11 3.58 1.01 -1.26 -4.55 116.67 120.67 2k8h s ASP 77 Ca -0.06 -2.89 -0.33 0.00 0.71 0.00 0.00 52.55 49.97 2k8h s ASP 77 Cb -0.04 -1.99 0.15 0.00 1.01 0.00 0.00 42.92 42.05 2k8h s ASP 77 CO 0.03 -0.42 1.43 -1.61 0.21 0.00 0.00 175.17 174.81 2k8h s GLU 78 N -0.13 0.04 -0.05 8.23 2.02 -1.26 -5.03 118.70 122.52 2k8h s GLU 78 Ca 0.18 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.26 2k8h s GLU 78 Cb -0.16 0.01 0.29 0.00 0.10 0.00 0.00 34.13 34.37 2k8h s GLU 78 CO -0.06 -0.02 1.23 -2.37 0.02 0.00 0.00 175.26 174.06 2k8h n THR 79 N -0.45 1.35 -0.03 3.63 5.66 -1.26 -4.51 114.28 118.66 2k8h n THR 79 Ca -0.08 -1.29 -0.03 0.00 -3.05 0.00 0.00 64.05 59.59 2k8h n THR 79 Cb 0.63 0.28 -0.04 0.00 -1.55 0.00 0.00 70.33 69.65 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 -0.08 2.48 0.20 1.09 4.76 -1.26 -4.22 118.16 121.13 2k8h n LYS 80 Ca 0.12 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.44 2k8h n LYS 80 Cb 0.50 -1.13 -0.07 0.00 -1.84 0.00 0.00 35.03 32.50 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 0.34 0.00 -0.18 2.02 -1.97 -0.99 112.91 112.13 2k8h h THR 81 Ca -0.14 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 2k8h h THR 81 Cb 1.30 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2k8h h THR 81 CO 0.00 0.07 -0.37 1.55 0.37 0.00 0.00 175.52 177.14 2k8h h PRO 82 N -1.02 0.00 0.01 6.66 0.13 -1.86 -1.04 132.00 134.89 2k8h h PRO 82 Ca -0.06 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.82 2k8h h PRO 82 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 2k8h h PRO 82 CO 0.09 0.37 -1.03 1.05 -0.23 0.00 0.00 178.00 178.26 2k8h h GLU 83 N 0.00 0.57 0.00 0.86 -0.00 -1.73 -0.32 114.58 113.97 2k8h h GLU 83 Ca -0.00 -0.64 -0.11 0.00 -0.00 0.00 0.00 59.36 58.61 2k8h h GLU 83 Cb 0.77 0.19 -0.02 0.00 -0.00 0.00 0.00 28.75 29.69 2k8h h GLU 83 CO 0.05 1.25 -0.54 1.05 -0.00 0.00 0.00 179.01 180.82 2k8h h GLU 84 N 0.32 0.00 0.08 1.06 4.11 -1.08 0.31 114.58 119.38 2k8h h GLU 84 Ca -0.12 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.02 2k8h h GLU 84 Cb 1.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 2k8h h GLU 84 CO 0.19 0.54 -1.53 1.25 0.07 0.00 0.00 179.01 179.53 2k8h h LEU 85 N 0.00 0.26 0.00 3.06 5.85 -1.22 -3.40 115.31 119.86 2k8h h LEU 85 Ca -0.01 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 2k8h h LEU 85 Cb 1.40 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2k8h h LEU 85 CO 0.07 1.32 -0.92 0.61 -0.34 0.00 0.00 178.44 179.18 2k8h n GLY 86 N 1.62 -0.88 2.96 3.75 0.00 -0.13 -5.03 105.19 107.48 2k8h n GLY 86 Ca -0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.52 -3.19 -3.62 1.61 2.81 0.10 -5.04 117.12 105.27 2k8h n MET 87 Ca -0.20 0.71 -0.10 0.00 -1.81 0.00 0.00 57.70 56.30 2k8h n MET 87 Cb 0.47 -5.14 -0.04 0.00 -0.71 0.00 0.00 33.22 27.81 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 -4.51 1.25 -0.02 0.03 2.12 -1.26 -5.03 118.70 111.29 2k8h s GLU 88 Ca 0.24 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.95 2k8h s GLU 88 Cb -0.03 0.52 0.28 0.00 0.26 0.00 0.00 34.13 35.16 2k8h s GLU 88 CO 0.60 -0.52 1.18 -0.40 -0.54 0.00 0.00 175.26 175.58 2k8h n ASP 89 N -0.31 1.87 -2.19 -1.70 5.68 -1.26 -3.96 116.55 114.68 2k8h n ASP 89 Ca -0.14 -2.07 -0.26 0.00 -0.50 0.00 0.00 54.79 51.82 2k8h n ASP 89 Cb 0.64 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 40.36 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 0.36 5.12 -4.65 -1.12 8.00 -1.21 -0.92 116.55 122.14 2k8h n ASP 90 Ca 0.10 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.43 2k8h n ASP 90 Cb 0.33 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.40 6.78 0.21 -2.24 1.01 -0.67 -4.93 116.67 113.43 2k8h s ASP 91 Ca 0.51 1.57 0.07 0.00 0.71 0.00 0.00 52.55 55.41 2k8h s ASP 91 Cb 0.41 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2k8h s ASP 91 CO -0.04 -0.92 0.09 0.68 0.21 0.00 0.00 175.17 175.20 2k8h s VAL 92 N 3.98 4.10 -0.16 -1.27 -7.23 -1.26 -1.18 120.40 117.39 2k8h s VAL 92 Ca 0.58 -1.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2k8h s VAL 92 Cb -0.21 -3.14 0.06 0.00 0.56 0.00 0.00 36.38 33.65 2k8h s VAL 92 CO 0.20 -0.22 0.37 -0.51 -0.31 0.00 0.00 175.10 174.62 2k8h s ILE 93 N -1.95 -0.20 -0.26 -0.62 1.10 -0.51 -4.46 121.20 114.30 2k8h s ILE 93 Ca 0.31 0.14 -0.07 0.00 -0.51 0.00 0.00 60.65 60.51 2k8h s ILE 93 Cb -0.09 -0.56 -0.02 0.00 0.15 0.00 0.00 42.46 41.94 2k8h s ILE 93 CO 0.22 0.06 0.07 -0.62 -2.11 0.00 0.00 174.94 172.56 2k8h s ASP 94 N 1.75 5.13 -0.45 4.50 -1.08 -0.29 -1.10 116.67 125.13 2k8h s ASP 94 Ca -0.07 -0.26 -0.19 0.00 -0.52 0.00 0.00 52.55 51.50 2k8h s ASP 94 Cb -0.10 -1.92 0.03 0.00 -1.46 0.00 0.00 42.92 39.47 2k8h s ASP 94 CO -0.12 -0.05 0.58 0.00 0.52 0.00 0.00 175.17 176.10 2k8h s ALA 95 N 1.60 3.37 -0.12 3.66 0.00 -0.59 -2.62 121.76 127.07 2k8h s ALA 95 Ca 0.06 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 2k8h s ALA 95 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2k8h s ALA 95 CO 0.03 -1.79 0.23 -1.64 0.00 0.00 0.00 175.76 172.60 2k8h s MET 96 N 2.59 3.85 -0.16 0.00 -1.94 -0.48 -4.12 119.30 119.05 2k8h s MET 96 Ca 0.18 0.01 -0.04 0.00 -1.71 0.00 0.00 55.69 54.14 2k8h s MET 96 Cb -0.16 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.36 2k8h s MET 96 CO 0.16 0.56 -0.03 0.08 -0.01 0.00 0.00 175.02 175.77 2k8h s VAL 97 N -0.46 3.92 -0.04 -6.03 1.01 -1.26 -1.44 120.40 116.10 2k8h s VAL 97 Ca 0.16 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2k8h s VAL 97 Cb -0.13 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2k8h s VAL 97 CO 0.05 0.49 -0.17 -0.70 0.00 0.00 0.00 175.10 174.77 2k8h s GLU 98 N 0.35 1.73 1.51 2.72 2.12 -1.26 -5.08 118.70 120.79 2k8h s GLU 98 Ca -0.04 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.68 2k8h s GLU 98 Cb -0.14 -1.53 0.00 0.00 0.26 0.00 0.00 34.13 32.72 2k8h s GLU 98 CO 0.03 0.26 0.00 0.94 -0.54 0.00 0.00 175.26 175.95 2k8h n GLN 99 N 3.08 -0.06 -4.35 4.30 0.00 -1.26 -4.91 117.38 114.18 2k8h n GLN 99 Ca -0.18 0.04 -0.28 0.00 -0.00 0.00 0.00 57.00 56.58 2k8h n GLN 99 Cb 0.53 -0.07 -0.06 0.00 0.00 0.00 0.00 30.24 30.64 2k8h n GLN 99 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2k8h s THR 100 N -0.05 1.72 -0.15 1.69 -4.23 -1.26 -5.08 115.64 108.28 2k8h s THR 100 Ca 0.00 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2k8h s THR 100 Cb 0.00 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 2k8h s THR 100 CO 0.00 0.00 -0.13 0.61 -0.54 0.00 0.00 174.62 174.56 2k8h n GLY 101 N -1.34 -0.20 0.00 3.99 0.00 -1.26 -5.13 105.19 101.24 2k8h n GLY 101 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93