#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 -0.45 0.29 7.83 0.15 -1.26 -5.18 113.70 115.08 2k8h s SER 2 Ca 0.00 0.84 0.11 0.00 0.70 0.00 0.00 55.95 57.60 2k8h s SER 2 Cb 0.00 0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 65.10 2k8h s SER 2 CO 0.00 -0.18 -0.16 0.54 1.20 0.00 0.00 173.24 174.65 2k8h s ASN 3 N 0.09 3.74 0.04 5.45 2.20 -1.26 -5.15 114.94 120.05 2k8h s ASN 3 Ca 0.03 -1.01 0.01 0.00 -0.94 0.00 0.00 52.86 50.94 2k8h s ASN 3 Cb -0.05 -0.38 -0.00 0.00 -2.00 0.00 0.00 41.25 38.83 2k8h s ASN 3 CO -0.05 -0.01 0.03 -0.46 -2.94 0.00 0.00 177.10 173.67 2k8h n ASN 4 N -0.69 -0.09 0.00 3.54 6.94 -1.26 -5.17 115.26 118.53 2k8h n ASN 4 Ca -0.05 -1.26 0.00 0.00 -0.02 0.00 0.00 54.58 53.25 2k8h n ASN 4 Cb 0.60 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.23 2k8h n ASN 4 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k8h n GLY 5 N -0.07 3.66 3.78 4.83 0.00 -1.26 -5.20 105.19 110.92 2k8h n GLY 5 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -0.16 0.27 -0.02 0.00 -1.26 -5.18 107.32 100.96 2k8h s GLY 6 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 44.72 44.84 2k8h s GLY 6 CO 0.00 0.27 -0.17 -0.54 0.00 0.00 0.00 173.10 172.66 2k8h s GLU 7 N -3.14 1.60 0.38 2.90 8.01 -1.26 -5.13 118.70 122.07 2k8h s GLU 7 Ca 0.14 -1.74 -0.26 0.00 0.01 0.00 0.00 54.97 53.11 2k8h s GLU 7 Cb -0.02 -1.59 -0.09 0.00 -4.31 0.00 0.00 34.13 28.12 2k8h s GLU 7 CO 0.03 0.27 1.20 -1.25 0.01 0.00 0.00 175.26 175.52 2k8h s PRO 8 N -3.56 4.14 -0.19 0.39 0.04 -1.26 -4.93 135.00 129.63 2k8h s PRO 8 Ca 0.28 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2k8h s PRO 8 Cb -0.03 -2.79 0.06 0.00 0.04 0.00 0.00 34.50 31.78 2k8h s PRO 8 CO 0.13 -0.27 0.87 0.45 0.04 0.00 0.00 177.00 178.22 2k8h n SER 9 N 0.29 -0.71 -4.94 6.66 2.88 -1.26 -5.16 113.62 111.37 2k8h n SER 9 Ca 0.03 -1.44 -0.24 0.00 -1.33 0.00 0.00 58.87 55.89 2k8h n SER 9 Cb 0.45 0.58 0.04 0.00 -0.75 0.00 0.00 64.21 64.53 2k8h n SER 9 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k8h s ASN 10 N -0.18 5.31 -1.42 -3.46 2.20 -1.26 -4.25 114.94 111.87 2k8h s ASN 10 Ca 0.03 0.38 -0.09 0.00 -0.94 0.00 0.00 52.86 52.24 2k8h s ASN 10 Cb 0.07 -1.28 0.05 0.00 -2.00 0.00 0.00 41.25 38.09 2k8h s ASN 10 CO -0.02 -1.19 0.64 0.59 -2.94 0.00 0.00 177.10 174.18 2k8h n ASN 11 N -2.54 -4.79 0.07 3.54 5.03 -1.26 -4.86 115.26 110.45 2k8h n ASN 11 Ca 0.06 -0.43 0.05 0.00 0.87 0.00 0.00 54.58 55.13 2k8h n ASN 11 Cb 0.59 -3.89 -0.04 0.00 -1.02 0.00 0.00 39.78 35.42 2k8h n ASN 11 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2k8h h GLY 12 N -1.36 0.00 -6.83 7.41 0.00 -2.03 -3.43 103.07 96.83 2k8h h GLY 12 Ca -0.49 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.27 2k8h h GLY 12 CO 0.57 0.00 -0.79 -0.32 0.00 0.00 0.00 176.54 176.00 2k8h s GLY 13 N -4.59 0.87 0.82 4.60 0.00 -1.26 -5.13 107.32 102.63 2k8h s GLY 13 Ca -0.01 -1.64 -0.14 0.00 0.00 0.00 0.00 44.72 42.93 2k8h s GLY 13 CO 0.80 1.92 1.11 1.18 0.00 0.00 0.00 173.10 178.11 2k8h n GLU 14 N 4.58 -1.08 -3.91 2.90 1.02 -1.26 -5.10 120.64 117.78 2k8h n GLU 14 Ca 0.02 -1.73 -0.27 0.00 -0.02 0.00 0.00 57.16 55.16 2k8h n GLU 14 Cb 0.40 -1.14 -0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2k8h n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k8h s GLY 15 N -5.43 2.40 0.32 0.62 0.00 -1.26 -5.15 107.32 98.82 2k8h s GLY 15 Ca 0.63 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.01 2k8h s GLY 15 CO 0.44 -1.96 0.73 0.00 0.00 0.00 0.00 173.10 172.31 2k8h s ALA 16 N -2.80 -0.93 0.13 3.20 0.00 -1.26 -5.10 121.76 115.00 2k8h s ALA 16 Ca 0.32 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 2k8h s ALA 16 Cb -0.02 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2k8h s ALA 16 CO 0.20 -1.00 0.29 -1.91 0.00 0.00 0.00 175.76 173.34 2k8h n GLU 17 N -0.49 0.38 0.00 0.00 2.13 -1.26 -5.12 120.64 116.28 2k8h n GLU 17 Ca -0.06 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.02 2k8h n GLU 17 Cb 0.60 0.94 0.00 0.00 0.27 0.00 0.00 31.44 33.25 2k8h n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k8h n GLY 18 N -0.20 4.23 2.65 8.31 0.00 -1.26 -4.31 105.19 114.61 2k8h n GLY 18 Ca -0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.72 1.46 -2.24 2.61 -2.24 -1.26 -5.12 114.28 106.76 2k8h n THR 19 Ca 0.00 -3.30 0.13 0.00 -2.27 0.00 0.00 64.05 58.61 2k8h n THR 19 Cb 0.00 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k8h s LYS 21 N -1.53 0.27 -0.86 0.00 2.20 -1.26 -5.08 119.74 113.49 2k8h s LYS 21 Ca 0.00 0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.23 2k8h s LYS 21 Cb 0.00 0.29 0.31 0.00 -1.51 0.00 0.00 37.83 36.92 2k8h s LYS 21 CO 0.00 -0.08 1.33 -1.91 -0.36 0.00 0.00 175.35 174.33 2k8h n GLU 22 N 4.52 4.14 -1.62 4.03 2.13 -1.26 -4.99 120.64 127.60 2k8h n GLU 22 Ca -0.11 -4.70 -0.02 0.00 0.66 0.00 0.00 57.16 52.99 2k8h n GLU 22 Cb 0.54 -2.38 0.01 0.00 0.27 0.00 0.00 31.44 29.88 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k8h n GLU 23 N 0.38 0.25 -4.22 5.31 2.13 -1.26 -5.18 120.64 118.05 2k8h n GLU 23 Ca 0.35 -0.49 -0.26 0.00 0.66 0.00 0.00 57.16 57.42 2k8h n GLU 23 Cb 0.34 0.62 -0.08 0.00 0.27 0.00 0.00 31.44 32.58 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 -2.80 3.64 0.03 6.31 -1.32 -1.26 -5.03 115.64 115.21 2k8h s THR 24 Ca 0.04 -1.51 -0.28 0.00 -1.21 0.00 0.00 61.69 58.72 2k8h s THR 24 Cb -0.01 -2.85 0.09 0.00 -1.51 0.00 0.00 72.50 68.23 2k8h s THR 24 CO 0.03 -0.15 0.99 0.00 -2.21 0.00 0.00 174.62 173.28 2k8h s ALA 25 N -1.81 -1.83 -0.06 11.08 0.00 -1.26 -5.09 121.76 122.79 2k8h s ALA 25 Ca 0.28 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.97 2k8h s ALA 25 Cb -0.09 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2k8h s ALA 25 CO 0.18 -0.85 -0.15 -0.51 0.00 0.00 0.00 175.76 174.44 2k8h s LEU 26 N -2.68 1.78 -0.02 0.00 1.43 -1.26 -3.20 118.68 114.74 2k8h s LEU 26 Ca 0.09 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2k8h s LEU 26 Cb -0.00 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2k8h s LEU 26 CO -0.04 0.09 -0.04 -0.69 0.23 0.00 0.00 176.35 175.90 2k8h s VAL 27 N 0.41 0.41 -0.06 -1.59 1.01 -0.48 -4.68 120.40 115.42 2k8h s VAL 27 Ca -0.11 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 2k8h s VAL 27 Cb -0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2k8h s VAL 27 CO 0.04 0.16 0.46 0.00 0.00 0.00 0.00 175.10 175.75 2k8h s ALA 28 N 0.44 3.56 0.05 5.51 0.00 -0.17 -1.45 121.76 129.71 2k8h s ALA 28 Ca -0.05 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2k8h s ALA 28 Cb -0.09 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 2k8h s ALA 28 CO -0.00 0.20 -0.23 0.08 0.00 0.00 0.00 175.76 175.81 2k8h s VAL 29 N -0.11 1.83 -0.11 0.00 1.01 -0.42 -1.44 120.40 121.15 2k8h s VAL 29 Ca 0.25 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2k8h s VAL 29 Cb -0.16 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.68 2k8h s VAL 29 CO 0.12 0.24 0.06 -0.75 0.00 0.00 0.00 175.10 174.77 2k8h s LYS 30 N -1.26 0.13 -0.26 2.72 2.20 -0.35 -1.59 119.74 121.34 2k8h s LYS 30 Ca 0.09 0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.69 2k8h s LYS 30 Cb -0.09 -1.23 -0.05 0.00 -1.51 0.00 0.00 37.83 34.95 2k8h s LYS 30 CO 0.02 -0.49 0.17 0.08 -0.36 0.00 0.00 175.35 174.77 2k8h s VAL 31 N 2.10 5.29 -0.02 4.02 1.01 -0.38 -1.49 120.40 130.93 2k8h s VAL 31 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2k8h s VAL 31 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2k8h s VAL 31 CO -0.06 0.30 -0.02 0.68 0.00 0.00 0.00 175.10 176.00 2k8h s VAL 32 N 1.41 4.01 0.17 2.92 -7.23 -0.22 -1.41 120.40 120.04 2k8h s VAL 32 Ca 0.07 -0.57 0.11 0.00 -1.81 0.00 0.00 61.98 59.78 2k8h s VAL 32 Cb -0.15 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2k8h s VAL 32 CO 0.08 0.44 -0.24 0.20 -0.31 0.00 0.00 175.10 175.27 2k8h s ASN 33 N -1.33 3.32 0.62 4.85 0.01 -1.06 -1.42 114.94 119.94 2k8h s ASN 33 Ca 0.17 -0.84 0.39 0.00 -0.71 0.00 0.00 52.86 51.87 2k8h s ASN 33 Cb -0.11 -0.24 2.07 0.00 0.41 0.00 0.00 41.25 43.38 2k8h s ASN 33 CO 0.07 0.12 2.27 0.00 -1.51 0.00 0.00 177.10 178.05 2k8h h ALA 34 N 3.38 1.12 0.00 0.60 0.00 -1.90 -0.74 119.26 121.73 2k8h h ALA 34 Ca -0.47 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 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 0.46 0.02 -0.48 -0.44 0.00 0.00 0.00 179.25 178.81 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.95 -3.48 116.42 116.19 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 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2k8h h ASP 35 CO 0.00 0.48 0.00 0.61 -3.12 0.00 0.00 179.24 177.21 2k8h n GLY 36 N 1.04 3.11 3.66 2.75 0.00 -0.28 -5.08 105.19 110.38 2k8h n GLY 36 Ca 0.02 -1.03 -0.51 0.00 0.00 0.00 0.00 46.02 44.49 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 0.18 -2.69 4.61 0.00 -1.26 -4.60 120.51 116.74 2k8h n ALA 37 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.67 2k8h n ALA 37 Cb 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.06 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 2.10 0.84 -0.22 0.00 1.03 -1.26 -2.56 118.70 118.63 2k8h s GLU 38 Ca 0.88 -0.86 -0.01 0.00 0.03 0.00 0.00 54.97 55.01 2k8h s GLU 38 Cb -0.86 -0.84 0.06 0.00 -0.80 0.00 0.00 34.13 31.69 2k8h s GLU 38 CO 0.50 0.20 -0.01 1.41 -1.33 0.00 0.00 175.26 176.03 2k8h s MET 39 N -1.49 1.17 -0.11 -4.83 1.75 -0.50 -4.97 119.30 110.31 2k8h s MET 39 Ca -0.01 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 53.69 2k8h s MET 39 Cb -0.09 -2.37 0.00 0.00 2.84 0.00 0.00 34.83 35.21 2k8h s MET 39 CO 0.02 -0.64 -0.23 -0.59 -0.65 0.00 0.00 175.02 172.93 2k8h s PHE 40 N 1.59 2.61 0.16 4.11 -0.71 -1.26 -1.24 117.98 123.24 2k8h s PHE 40 Ca -0.03 -1.12 -0.22 0.00 -1.04 0.00 0.00 56.93 54.52 2k8h s PHE 40 Cb -0.18 -1.75 0.06 0.00 -1.21 0.00 0.00 43.02 39.94 2k8h s PHE 40 CO -0.08 -0.47 0.59 0.12 -1.34 0.00 0.00 175.22 174.04 2k8h s PHE 41 N 0.49 -0.49 -0.26 3.49 5.36 -0.62 -5.01 117.98 120.94 2k8h s PHE 41 Ca -0.15 0.26 -0.11 0.00 -0.96 0.00 0.00 56.93 55.98 2k8h s PHE 41 Cb -0.17 0.54 -0.05 0.00 -0.34 0.00 0.00 43.02 43.00 2k8h s PHE 41 CO 0.05 -0.86 0.17 0.50 -1.46 0.00 0.00 175.22 173.63 2k8h s ARG 42 N -3.76 3.98 0.03 10.12 3.52 -1.26 -1.30 118.95 130.27 2k8h s ARG 42 Ca 0.02 -0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 2k8h s ARG 42 Cb -0.01 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2k8h s ARG 42 CO -0.12 -0.08 0.01 0.42 -0.81 0.00 0.00 175.30 174.73 2k8h s ILE 43 N 1.45 0.13 0.24 4.11 1.09 -0.53 -4.97 121.20 122.72 2k8h s ILE 43 Ca 0.07 -1.05 -0.31 0.00 -1.10 0.00 0.00 60.65 58.26 2k8h s ILE 43 Cb -0.15 -0.58 -0.14 0.00 -1.06 0.00 0.00 42.46 40.53 2k8h s ILE 43 CO 0.08 -0.58 1.32 0.29 -0.10 0.00 0.00 174.94 175.96 2k8h n LYS 44 N 1.21 1.84 -0.02 2.79 4.76 -1.26 -1.38 118.16 126.10 2k8h n LYS 44 Ca -0.21 0.65 0.23 0.00 -2.87 0.00 0.00 58.31 56.11 2k8h n LYS 44 Cb 0.57 -2.25 0.72 0.00 -1.84 0.00 0.00 35.03 32.22 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 3.75 0.00 -0.53 4.39 4.64 -1.83 -1.20 113.55 122.77 2k8h h SER 45 Ca -0.44 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 2k8h h SER 45 Cb 1.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 2k8h h SER 45 CO 0.72 0.00 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.59 2k8h h ARG 46 N 0.00 0.11 -3.28 4.77 9.65 -1.87 -3.44 114.38 120.32 2k8h h ARG 46 Ca 0.28 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.00 2k8h h ARG 46 Cb 1.30 -0.02 -0.23 0.00 -1.39 0.00 0.00 29.97 29.63 2k8h h ARG 46 CO -0.00 0.07 -0.44 0.99 2.80 0.00 0.00 179.97 183.39 2k8h s THR 47 N -6.17 0.04 0.00 0.20 2.01 -0.45 -4.57 115.64 106.70 2k8h s THR 47 Ca -0.14 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2k8h s THR 47 Cb 0.17 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.28 2k8h s THR 47 CO 0.73 -0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 2k8h n ALA 48 N 2.20 0.00 0.19 7.40 0.00 -1.26 -4.07 120.51 124.98 2k8h n ALA 48 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.30 2k8h n ALA 48 Cb 0.57 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.44 2k8h n ALA 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k8h h LEU 49 N 0.00 0.04 0.21 0.00 -0.00 -1.91 -0.16 115.31 113.48 2k8h h LEU 49 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2k8h h LEU 49 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2k8h h LEU 49 CO 0.00 0.30 -0.10 0.11 -0.00 0.00 0.00 178.44 178.75 2k8h h LYS 50 N 0.04 -0.27 0.00 1.13 1.79 -1.92 -0.84 116.57 116.50 2k8h h LYS 50 Ca 0.00 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 2k8h h LYS 50 Cb 0.48 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2k8h h LYS 50 CO 0.03 -0.05 -0.50 -0.22 -1.08 0.00 0.00 179.45 177.63 2k8h h LYS 51 N -0.46 0.00 0.24 3.15 3.64 -1.91 -0.86 116.57 120.37 2k8h h LYS 51 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2k8h h LYS 51 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2k8h h LYS 51 CO 0.05 0.50 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.55 2k8h h LEU 52 N 0.00 -0.28 -0.69 5.20 4.07 -0.88 0.26 115.31 122.99 2k8h h LEU 52 Ca -0.01 -0.19 -0.14 0.00 0.08 0.00 0.00 57.88 57.62 2k8h h LEU 52 Cb 0.99 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 2k8h h LEU 52 CO 0.07 0.06 -0.61 -0.29 -1.08 0.00 0.00 178.44 176.58 2k8h h ILE 53 N -0.64 1.41 -0.22 1.22 2.10 -1.18 -0.82 117.51 119.38 2k8h h ILE 53 Ca -0.03 -2.04 -0.17 0.00 1.08 0.00 0.00 64.86 63.70 2k8h h ILE 53 Cb 0.45 2.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2k8h h ILE 53 CO 0.05 0.59 -0.53 -0.78 -1.08 0.00 0.00 178.15 176.40 2k8h h ASP 54 N 0.11 0.85 0.02 2.19 1.82 -1.14 -0.90 116.42 119.37 2k8h h ASP 54 Ca -0.01 -0.56 -0.23 0.00 -0.39 0.00 0.00 57.03 55.84 2k8h h ASP 54 Cb 1.11 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.88 2k8h h ASP 54 CO 0.09 1.26 -0.84 0.74 -1.61 0.00 0.00 179.24 178.88 2k8h h THR 55 N 0.48 1.31 -0.25 2.25 2.02 -0.45 -1.02 112.91 117.26 2k8h h THR 55 Ca -0.00 -2.12 -0.09 0.00 0.77 0.00 0.00 66.41 64.97 2k8h h THR 55 Cb 1.15 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 2k8h h THR 55 CO 0.12 0.66 -0.19 0.22 0.37 0.00 0.00 175.52 176.70 2k8h h TYR 56 N 0.43 0.67 -0.18 3.16 5.03 -1.18 0.28 116.97 125.18 2k8h h TYR 56 Ca -0.07 -0.19 -0.07 0.00 2.58 0.00 0.00 58.73 60.99 2k8h h TYR 56 Cb 1.47 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.60 2k8h h TYR 56 CO 0.08 0.87 -0.15 0.00 -1.32 0.00 0.00 178.16 177.64 2k8h h LYS 58 N 0.08 0.94 -0.21 0.00 3.64 -1.22 -0.75 116.57 119.06 2k8h h LYS 58 Ca 0.03 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2k8h h LYS 58 Cb 0.67 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2k8h h LYS 58 CO 0.04 0.87 0.03 -0.22 -2.27 0.00 0.00 179.45 177.89 2k8h h LYS 59 N 0.85 0.35 0.00 1.90 3.64 -0.93 -2.48 116.57 119.89 2k8h h LYS 59 Ca 0.18 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2k8h h LYS 59 Cb 0.35 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2k8h h LYS 59 CO 0.00 0.51 0.00 0.37 -2.27 0.00 0.00 179.45 178.06 2k8h h GLN 60 N 0.13 0.00 0.00 1.90 4.15 -1.09 -3.46 115.11 116.74 2k8h h GLN 60 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k8h h GLN 60 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 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 -0.78 0.67 2.89 2.39 0.00 -0.81 -5.07 105.19 104.49 2k8h n GLY 61 Ca -0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2k8h n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8h s ILE 62 N -2.00 -0.02 1.25 -0.61 -5.25 -0.35 -5.04 121.20 109.18 2k8h s ILE 62 Ca 0.00 0.06 -0.16 0.00 -0.99 0.00 0.00 60.65 59.56 2k8h s ILE 62 Cb 0.00 -0.10 0.29 0.00 2.95 0.00 0.00 42.46 45.60 2k8h s ILE 62 CO 0.00 0.03 0.80 -0.24 -1.79 0.00 0.00 174.94 173.73 2k8h n SER 63 N 3.40 -2.54 -2.44 4.36 2.88 -1.26 -4.10 113.62 113.91 2k8h n SER 63 Ca -0.17 -0.36 -0.23 0.00 -1.33 0.00 0.00 58.87 56.78 2k8h n SER 63 Cb 0.57 -1.13 -0.10 0.00 -0.75 0.00 0.00 64.21 62.81 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 -4.64 2.54 -0.80 -1.46 -4.01 -1.26 -4.09 116.66 102.94 2k8h n ARG 64 Ca 0.04 -1.89 0.05 0.00 -1.04 0.00 0.00 57.85 55.01 2k8h n ARG 64 Cb 0.56 -2.18 0.09 0.00 -3.04 0.00 0.00 32.46 27.89 2k8h n ARG 64 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 2k8h n ASN 65 N 1.82 1.21 -1.04 2.89 2.85 -1.26 -4.75 115.26 116.98 2k8h n ASN 65 Ca 0.50 -2.71 -0.03 0.00 -0.11 0.00 0.00 54.58 52.23 2k8h n ASN 65 Cb 0.65 -0.36 -0.04 0.00 1.24 0.00 0.00 39.78 41.27 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2k8h n SER 66 N -0.38 -0.36 -3.59 1.20 2.88 -1.26 -5.09 113.62 107.02 2k8h n SER 66 Ca 0.10 -1.88 -0.08 0.00 -1.33 0.00 0.00 58.87 55.68 2k8h n SER 66 Cb 0.84 0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 64.32 2k8h n SER 66 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2k8h s VAL 67 N 0.00 -0.67 -0.30 2.46 -7.23 -1.26 -4.81 120.40 108.60 2k8h s VAL 67 Ca 0.08 0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 60.22 2k8h s VAL 67 Cb 0.09 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 2k8h s VAL 67 CO -0.04 0.03 0.38 -0.60 -0.31 0.00 0.00 175.10 174.56 2k8h s ARG 68 N 2.62 3.86 -0.47 4.82 6.06 -0.48 -4.94 118.95 130.41 2k8h s ARG 68 Ca 0.01 -0.12 -0.15 0.00 -2.50 0.00 0.00 55.73 52.97 2k8h s ARG 68 Cb -0.13 -3.71 0.07 0.00 0.06 0.00 0.00 34.95 31.25 2k8h s ARG 68 CO -0.14 -0.37 0.40 -0.06 -2.50 0.00 0.00 175.30 172.63 2k8h s PHE 69 N 2.07 3.25 0.22 5.12 0.40 -1.26 -1.41 117.98 126.36 2k8h s PHE 69 Ca 0.14 -0.95 0.10 0.00 -0.60 0.00 0.00 56.93 55.62 2k8h s PHE 69 Cb -0.16 -3.19 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 2k8h s PHE 69 CO 0.11 -0.80 -0.10 -0.51 0.70 0.00 0.00 175.22 174.61 2k8h s LEU 70 N 1.64 2.92 -0.22 -0.37 1.43 -1.21 -0.80 118.68 122.08 2k8h s LEU 70 Ca 0.04 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2k8h s LEU 70 Cb -0.24 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2k8h s LEU 70 CO 0.06 0.07 0.06 0.12 0.23 0.00 0.00 176.35 176.90 2k8h s PHE 71 N -1.98 0.92 -1.46 0.29 5.36 -0.24 -1.11 117.98 119.76 2k8h s PHE 71 Ca 0.27 -0.92 -0.09 0.00 -0.96 0.00 0.00 56.93 55.23 2k8h s PHE 71 Cb -0.07 -1.07 0.05 0.00 -0.34 0.00 0.00 43.02 41.58 2k8h s PHE 71 CO 0.16 -0.66 0.78 -3.47 -1.46 0.00 0.00 175.22 170.56 2k8h n ASP 72 N 5.08 -5.24 0.00 6.13 2.03 -1.26 -0.96 116.55 122.32 2k8h n ASP 72 Ca -0.07 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.75 2k8h n ASP 72 Cb 0.46 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 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 -1.57 0.81 3.14 0.27 0.00 -1.26 -5.02 105.19 101.55 2k8h n GLY 73 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.06 4.40 -0.84 2.61 2.01 -0.14 -5.02 115.64 116.61 2k8h s THR 74 Ca 0.00 -3.44 -0.25 0.00 0.31 0.00 0.00 61.69 58.31 2k8h s THR 74 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k8h s THR 74 CO 0.00 -1.03 1.93 -2.16 -0.69 0.00 0.00 174.62 172.67 2k8h s PRO 75 N -0.82 2.57 -0.08 4.92 0.04 -1.26 -1.08 135.00 139.29 2k8h s PRO 75 Ca 0.24 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.05 2k8h s PRO 75 Cb -0.12 -4.92 0.03 0.00 0.04 0.00 0.00 34.50 29.53 2k8h s PRO 75 CO -0.09 -3.24 0.30 0.42 0.04 0.00 0.00 177.00 174.43 2k8h s ILE 76 N 9.86 0.02 -0.80 0.56 1.01 0.02 -4.92 121.20 126.96 2k8h s ILE 76 Ca 0.69 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 2k8h s ILE 76 Cb -0.08 -0.50 0.21 0.00 0.01 0.00 0.00 42.46 42.10 2k8h s ILE 76 CO 0.04 -0.11 0.70 1.51 0.00 0.00 0.00 174.94 177.08 2k8h s ASP 77 N -0.41 6.37 -0.09 3.58 -4.77 -1.26 -4.49 116.67 115.59 2k8h s ASP 77 Ca -0.05 -2.83 -0.33 0.00 -3.30 0.00 0.00 52.55 46.03 2k8h s ASP 77 Cb -0.04 -2.11 0.15 0.00 -1.09 0.00 0.00 42.92 39.84 2k8h s ASP 77 CO 0.02 -0.49 1.43 -1.61 0.70 0.00 0.00 175.17 175.23 2k8h s GLU 78 N -0.05 0.04 -0.24 2.11 2.02 -1.26 -4.99 118.70 116.32 2k8h s GLU 78 Ca 0.19 -0.02 -0.00 0.00 0.02 0.00 0.00 54.97 55.16 2k8h s GLU 78 Cb -0.13 0.01 -0.15 0.00 0.10 0.00 0.00 34.13 33.96 2k8h s GLU 78 CO -0.08 -0.02 -0.23 2.41 0.02 0.00 0.00 175.26 177.37 2k8h n THR 79 N -0.49 1.39 0.04 3.63 -1.04 -1.26 -4.29 114.28 112.26 2k8h n THR 79 Ca -0.10 -0.51 0.06 0.00 -2.04 0.00 0.00 64.05 61.47 2k8h n THR 79 Cb 0.64 -1.42 0.48 0.00 -1.82 0.00 0.00 70.33 68.21 2k8h n THR 79 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2k8h h LYS 80 N -0.13 0.40 0.71 -2.82 1.63 -1.84 0.24 116.57 114.77 2k8h h LYS 80 Ca -0.56 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.18 2k8h h LYS 80 Cb 1.80 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 33.35 2k8h h LYS 80 CO -0.13 0.27 -0.34 1.79 -3.45 0.00 0.00 179.45 177.59 2k8h h THR 81 N 0.42 0.00 0.00 1.00 1.35 -1.98 -1.27 112.91 112.43 2k8h h THR 81 Ca 0.14 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2k8h h THR 81 Cb 0.06 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 2k8h h THR 81 CO -0.03 0.00 0.00 1.55 -0.25 0.00 0.00 175.52 176.79 2k8h h PRO 82 N -1.05 0.00 0.04 4.72 0.13 -1.71 -0.85 132.00 133.28 2k8h h PRO 82 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2k8h h PRO 82 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2k8h h PRO 82 CO 0.16 0.00 -0.02 1.49 -0.23 0.00 0.00 178.00 179.40 2k8h h GLU 83 N 0.00 -0.05 0.00 0.86 4.81 -0.44 0.19 114.58 119.95 2k8h h GLU 83 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2k8h h GLU 83 Cb 0.45 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2k8h h GLU 83 CO 0.00 0.61 -0.77 1.05 -0.73 0.00 0.00 179.01 179.18 2k8h h GLU 84 N -0.83 0.00 0.10 1.92 4.11 -1.21 0.24 114.58 118.91 2k8h h GLU 84 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 2k8h h GLU 84 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k8h h GLU 84 CO 0.01 0.77 -1.18 1.25 0.07 0.00 0.00 179.01 179.93 2k8h h LEU 85 N 0.00 0.36 0.00 3.06 6.46 -1.26 -3.40 115.31 120.54 2k8h h LEU 85 Ca -0.01 -0.38 -0.09 0.00 -0.12 0.00 0.00 57.88 57.29 2k8h h LEU 85 Cb 1.39 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 2k8h h LEU 85 CO 0.10 1.29 -0.82 0.61 -0.62 0.00 0.00 178.44 178.99 2k8h n GLY 86 N 1.45 -0.89 3.24 3.75 0.00 0.05 -4.88 105.19 107.91 2k8h n GLY 86 Ca -0.07 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2k8h n GLY 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k8h n MET 87 N -4.54 -6.62 -3.81 1.61 2.81 0.85 -5.01 117.12 102.40 2k8h n MET 87 Ca -0.17 0.69 -0.09 0.00 -1.81 0.00 0.00 57.70 56.32 2k8h n MET 87 Cb 0.42 -5.32 -0.06 0.00 -0.71 0.00 0.00 33.22 27.55 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 -6.09 1.01 -0.04 0.03 -1.05 -1.26 -5.03 118.70 106.27 2k8h s GLU 88 Ca 0.49 -0.93 0.08 0.00 -0.15 0.00 0.00 54.97 54.46 2k8h s GLU 88 Cb -0.21 0.40 0.31 0.00 -0.44 0.00 0.00 34.13 34.18 2k8h s GLU 88 CO 0.60 -0.36 1.15 -0.40 0.95 0.00 0.00 175.26 177.20 2k8h n ASP 89 N -0.16 2.26 -2.17 0.83 5.75 -1.26 -3.99 116.55 117.81 2k8h n ASP 89 Ca -0.13 -2.17 -0.26 0.00 -0.01 0.00 0.00 54.79 52.22 2k8h n ASP 89 Cb 0.63 -0.37 0.02 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.37 5.11 -4.66 -1.12 9.92 -1.20 -1.00 116.55 123.97 2k8h n ASP 90 Ca 0.11 -3.75 -0.43 0.00 -0.53 0.00 0.00 54.79 50.20 2k8h n ASP 90 Cb 0.43 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 -3.42 6.80 0.08 -2.24 2.15 -0.52 -4.94 116.67 114.58 2k8h s ASP 91 Ca 0.51 1.98 0.04 0.00 0.43 0.00 0.00 52.55 55.52 2k8h s ASP 91 Cb 0.41 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.46 2k8h s ASP 91 CO -0.03 -0.85 0.01 0.68 -0.17 0.00 0.00 175.17 174.81 2k8h s VAL 92 N 3.75 4.08 -0.19 1.11 -7.23 -1.26 -1.21 120.40 119.45 2k8h s VAL 92 Ca 0.65 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2k8h s VAL 92 Cb -0.28 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.79 2k8h s VAL 92 CO 0.23 0.14 0.04 -0.63 -0.31 0.00 0.00 175.10 174.57 2k8h s ILE 93 N -1.30 0.50 -0.52 -0.62 -1.09 -0.56 -4.37 121.20 113.23 2k8h s ILE 93 Ca 0.26 -0.53 -0.21 0.00 -2.23 0.00 0.00 60.65 57.94 2k8h s ILE 93 Cb -0.12 -1.01 0.05 0.00 -1.58 0.00 0.00 42.46 39.81 2k8h s ILE 93 CO 0.18 -0.21 0.73 -1.81 -1.23 0.00 0.00 174.94 172.60 2k8h s ASP 94 N 1.87 6.26 -0.16 3.58 1.11 -0.27 -1.06 116.67 128.00 2k8h s ASP 94 Ca -0.01 -0.76 -0.29 0.00 0.18 0.00 0.00 52.55 51.67 2k8h s ASP 94 Cb -0.17 -2.34 -0.02 0.00 1.07 0.00 0.00 42.92 41.47 2k8h s ASP 94 CO -0.08 -1.00 1.28 0.00 1.18 0.00 0.00 175.17 176.55 2k8h s ALA 95 N 3.04 3.65 0.19 5.23 0.00 -0.50 -3.28 121.76 130.09 2k8h s ALA 95 Ca 0.20 0.47 0.10 0.00 0.00 0.00 0.00 51.96 52.73 2k8h s ALA 95 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2k8h s ALA 95 CO 0.14 -1.20 -0.18 -1.64 0.00 0.00 0.00 175.76 172.87 2k8h s MET 96 N 3.55 1.74 -0.14 0.00 -1.94 -0.50 -4.22 119.30 117.79 2k8h s MET 96 Ca 0.56 -1.41 -0.04 0.00 -1.71 0.00 0.00 55.69 53.09 2k8h s MET 96 Cb -0.22 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.61 2k8h s MET 96 CO 0.16 0.42 -0.01 0.14 -0.01 0.00 0.00 175.02 175.71 2k8h s VAL 97 N -1.66 4.16 -0.51 -6.03 -7.23 -1.26 -1.38 120.40 106.48 2k8h s VAL 97 Ca 0.22 -0.27 -0.09 0.00 -1.81 0.00 0.00 61.98 60.03 2k8h s VAL 97 Cb -0.08 -2.81 0.13 0.00 0.56 0.00 0.00 36.38 34.18 2k8h s VAL 97 CO 0.12 0.52 0.39 -1.61 -0.31 0.00 0.00 175.10 174.21 2k8h s GLU 98 N -0.02 2.58 -1.29 4.82 2.02 -1.26 -4.66 118.70 120.89 2k8h s GLU 98 Ca 0.02 -1.88 -0.03 0.00 0.02 0.00 0.00 54.97 53.10 2k8h s GLU 98 Cb -0.13 -3.96 -0.00 0.00 0.10 0.00 0.00 34.13 30.14 2k8h s GLU 98 CO 0.02 -1.20 0.66 1.04 0.02 0.00 0.00 175.26 175.79 2k8h n GLN 99 N 4.73 -3.85 -3.75 1.61 6.02 -1.26 -4.99 117.38 115.89 2k8h n GLN 99 Ca -0.05 0.56 -0.12 0.00 -0.01 0.00 0.00 57.00 57.37 2k8h n GLN 99 Cb 0.41 -4.90 -0.11 0.00 1.02 0.00 0.00 30.24 26.66 2k8h n GLN 99 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k8h s THR 100 N -3.69 -0.01 0.00 5.09 2.01 -1.26 -5.13 115.64 112.64 2k8h s THR 100 Ca 0.09 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2k8h s THR 100 Cb -0.03 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2k8h s THR 100 CO 0.83 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 2k8h n GLY 101 N 3.37 -2.57 3.14 4.40 0.00 -1.26 -4.92 105.19 107.35 2k8h n GLY 101 Ca -0.17 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93