#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jq6 h PRO 2 N 0.00 0.00 -5.23 1.61 0.13 -2.04 -3.22 132.00 123.25 2jq6 h PRO 2 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2jq6 h PRO 2 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2jq6 h PRO 2 CO 0.00 0.24 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.06 2jq6 s LEU 3 N -8.00 2.63 0.00 1.56 1.98 -1.26 -4.58 118.68 111.00 2jq6 s LEU 3 Ca -0.03 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 50.81 2jq6 s LEU 3 Cb 0.14 -1.60 0.00 0.00 0.66 0.00 0.00 46.19 45.39 2jq6 s LEU 3 CO 0.67 0.11 0.00 0.61 -1.89 0.00 0.00 176.35 175.86 2jq6 n GLY 4 N 3.89 3.01 3.29 7.98 0.00 -1.26 -4.98 105.19 117.12 2jq6 n GLY 4 Ca -0.19 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2jq6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jq6 s SER 5 N 0.75 5.74 0.26 1.61 0.01 -1.22 -5.01 113.70 115.84 2jq6 s SER 5 Ca 0.00 -1.51 -0.20 0.00 1.31 0.00 0.00 55.95 55.55 2jq6 s SER 5 Cb 0.00 -2.03 -0.09 0.00 0.21 0.00 0.00 66.02 64.12 2jq6 s SER 5 CO 0.00 -0.57 0.76 -1.83 0.41 0.00 0.00 173.24 172.01 2jq6 s GLU 6 N 1.46 4.25 -0.23 12.44 1.03 -1.26 -4.67 118.70 131.72 2jq6 s GLU 6 Ca 0.03 0.90 -0.08 0.00 0.03 0.00 0.00 54.97 55.85 2jq6 s GLU 6 Cb -0.24 -2.76 -0.04 0.00 -0.80 0.00 0.00 34.13 30.29 2jq6 s GLU 6 CO 0.03 0.32 0.10 0.45 -1.33 0.00 0.00 175.26 174.83 2jq6 s SER 7 N -1.77 5.59 -0.89 0.83 0.15 -1.26 -5.04 113.70 111.30 2jq6 s SER 7 Ca 0.47 -0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 2jq6 s SER 7 Cb -0.15 -2.00 0.11 0.00 -1.71 0.00 0.00 66.02 62.26 2jq6 s SER 7 CO 0.20 0.04 1.14 -0.76 1.20 0.00 0.00 173.24 175.07 2jq6 s LEU 8 N 1.20 4.67 -0.30 3.45 2.01 -1.26 -4.97 118.68 123.49 2jq6 s LEU 8 Ca 0.06 -1.73 -0.05 0.00 0.01 0.00 0.00 54.13 52.42 2jq6 s LEU 8 Cb -0.14 -2.43 0.03 0.00 0.01 0.00 0.00 46.19 43.65 2jq6 s LEU 8 CO 0.04 -1.21 0.04 -0.04 1.01 0.00 0.00 176.35 176.19 2jq6 s MET 9 N 3.33 2.83 0.07 1.70 -1.94 -1.26 -4.96 119.30 119.08 2jq6 s MET 9 Ca 0.33 -1.01 0.14 0.00 -1.71 0.00 0.00 55.69 53.43 2jq6 s MET 9 Cb -0.06 -3.28 0.61 0.00 2.01 0.00 0.00 34.83 34.11 2jq6 s MET 9 CO -0.05 -0.51 1.44 -0.35 -0.01 0.00 0.00 175.02 175.54 2jq6 n PRO 10 N 4.78 0.05 -3.11 2.03 -0.04 -1.26 -4.30 135.00 133.14 2jq6 n PRO 10 Ca -0.14 0.36 -0.45 0.00 -0.04 0.00 0.00 63.50 63.22 2jq6 n PRO 10 Cb 0.46 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2jq6 n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jq6 s SER 11 N -3.32 6.54 -0.27 3.54 0.15 -1.26 -4.97 113.70 114.11 2jq6 s SER 11 Ca 0.04 -2.08 0.01 0.00 0.70 0.00 0.00 55.95 54.62 2jq6 s SER 11 Cb 0.07 -2.31 0.08 0.00 -1.71 0.00 0.00 66.02 62.15 2jq6 s SER 11 CO 0.24 -0.92 0.01 -1.58 1.20 0.00 0.00 173.24 172.19 2jq6 s GLN 12 N 1.86 1.26 -0.15 5.44 0.74 -1.26 -5.11 119.66 122.45 2jq6 s GLN 12 Ca 0.22 -1.11 -0.15 0.00 0.05 0.00 0.00 55.36 54.37 2jq6 s GLN 12 Cb -0.12 -2.49 -0.05 0.00 1.10 0.00 0.00 33.01 31.45 2jq6 s GLN 12 CO -0.05 -0.76 0.35 0.54 -0.55 0.00 0.00 175.29 174.82 2jq6 s VAL 13 N 1.42 5.27 -0.13 1.34 0.11 -1.26 -5.07 120.40 122.06 2jq6 s VAL 13 Ca 0.02 0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 59.64 2jq6 s VAL 13 Cb -0.18 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2jq6 s VAL 13 CO -0.12 0.37 0.19 0.54 -3.33 0.00 0.00 175.10 172.76 2jq6 s VAL 14 N 0.49 5.40 -0.07 2.04 0.11 -1.26 -5.09 120.40 122.02 2jq6 s VAL 14 Ca 0.19 0.33 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 2jq6 s VAL 14 Cb -0.14 -3.49 -0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2jq6 s VAL 14 CO 0.06 0.53 -0.22 -0.75 -3.33 0.00 0.00 175.10 171.39 2jq6 s LYS 15 N -0.43 2.48 0.12 1.54 2.47 -1.26 -5.10 119.74 119.55 2jq6 s LYS 15 Ca 0.14 -0.79 -0.31 0.00 -1.56 0.00 0.00 55.97 53.45 2jq6 s LYS 15 Cb -0.12 -2.01 -0.08 0.00 -1.46 0.00 0.00 37.83 34.15 2jq6 s LYS 15 CO 0.03 0.25 1.46 0.20 0.16 0.00 0.00 175.35 177.45 2jq6 s GLY 16 N 0.13 1.82 0.00 5.54 0.00 -1.26 -1.95 107.32 111.60 2jq6 s GLY 16 Ca -0.10 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.80 2jq6 s GLY 16 CO 0.05 2.47 0.00 0.61 0.00 0.00 0.00 173.10 176.23 2jq6 n GLY 17 N 3.61 1.14 3.29 0.20 0.00 -1.26 -4.99 105.19 107.17 2jq6 n GLY 17 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 2jq6 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jq6 s ALA 18 N -2.28 4.13 -0.48 4.61 0.00 -0.82 -5.01 121.76 121.90 2jq6 s ALA 18 Ca 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 51.96 48.42 2jq6 s ALA 18 Cb 0.00 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.85 2jq6 s ALA 18 CO 0.00 -2.24 0.38 0.12 0.00 0.00 0.00 175.76 174.02 2jq6 s PHE 19 N -0.17 3.36 0.04 0.00 5.36 -1.26 -4.68 117.98 120.63 2jq6 s PHE 19 Ca 0.20 -1.62 0.07 0.00 -0.96 0.00 0.00 56.93 54.63 2jq6 s PHE 19 Cb -0.11 -3.49 -0.03 0.00 -0.34 0.00 0.00 43.02 39.05 2jq6 s PHE 19 CO -0.08 -0.97 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.00 2jq6 s ASP 20 N 2.84 3.71 -0.15 6.13 1.01 -1.26 -5.10 116.67 123.86 2jq6 s ASP 20 Ca 0.05 -0.45 -0.29 0.00 0.71 0.00 0.00 52.55 52.56 2jq6 s ASP 20 Cb -0.27 -0.57 -0.01 0.00 1.01 0.00 0.00 42.92 43.08 2jq6 s ASP 20 CO 0.01 0.26 1.18 -0.83 0.21 0.00 0.00 175.17 175.99 2jq6 s GLY 21 N -1.40 1.84 0.32 0.21 0.00 -1.26 -5.03 107.32 102.00 2jq6 s GLY 21 Ca 0.14 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.25 2jq6 s GLY 21 CO 0.05 2.30 0.58 -0.51 0.00 0.00 0.00 173.10 175.52 2jq6 s THR 22 N 2.97 5.02 -0.61 0.90 -4.23 -1.26 -5.04 115.64 113.40 2jq6 s THR 22 Ca 0.52 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.79 2jq6 s THR 22 Cb -0.21 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.92 2jq6 s THR 22 CO 0.15 -0.41 0.96 -0.04 -0.54 0.00 0.00 174.62 174.73 2jq6 s MET 23 N -3.79 3.22 -0.11 3.99 -1.94 -1.26 -5.02 119.30 114.40 2jq6 s MET 23 Ca 0.44 -0.53 -0.03 0.00 -1.71 0.00 0.00 55.69 53.86 2jq6 s MET 23 Cb -0.10 -4.14 -0.03 0.00 2.01 0.00 0.00 34.83 32.57 2jq6 s MET 23 CO 0.32 -1.65 -0.01 -0.80 -0.01 0.00 0.00 175.02 172.87 2jq6 s ASN 24 N 3.24 5.14 0.00 3.03 0.01 -1.26 -4.59 114.94 120.52 2jq6 s ASN 24 Ca 0.26 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 2jq6 s ASN 24 Cb -0.14 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 39.96 2jq6 s ASN 24 CO 0.15 0.32 0.00 0.61 -1.51 0.00 0.00 177.10 176.66 2jq6 n GLY 25 N 2.56 1.21 0.14 0.66 0.00 -1.26 -4.97 105.19 103.54 2jq6 n GLY 25 Ca -0.18 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 2jq6 n GLY 25 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jq6 h PRO 26 N 0.00 -0.24 -5.75 1.61 0.11 -2.03 -3.40 132.00 122.30 2jq6 h PRO 26 Ca 0.00 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.51 2jq6 h PRO 26 Cb 0.00 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.04 2jq6 h PRO 26 CO 0.00 0.11 0.56 0.12 -0.21 0.00 0.00 178.00 178.58 2jq6 s PHE 27 N -4.54 2.76 -0.02 0.65 5.36 -1.26 -5.00 117.98 115.93 2jq6 s PHE 27 Ca -0.14 -0.15 -0.30 0.00 -0.96 0.00 0.00 56.93 55.38 2jq6 s PHE 27 Cb 0.02 -4.12 -0.06 0.00 -0.34 0.00 0.00 43.02 38.51 2jq6 s PHE 27 CO 0.58 -1.43 1.70 0.20 -1.46 0.00 0.00 175.22 174.81 2jq6 s GLY 28 N 3.05 1.53 -0.02 13.12 0.00 -1.26 -4.99 107.32 118.75 2jq6 s GLY 28 Ca 0.28 1.04 -0.00 0.00 0.00 0.00 0.00 44.72 46.04 2jq6 s GLY 28 CO 0.17 3.09 0.03 -2.38 0.00 0.00 0.00 173.10 174.01 2jq6 s HIS 29 N 3.89 0.06 -0.19 1.90 -3.43 -1.26 -5.14 115.29 111.12 2jq6 s HIS 29 Ca 0.76 0.14 -0.04 0.00 -0.80 0.00 0.00 55.06 55.11 2jq6 s HIS 29 Cb -0.36 -0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 30.48 2jq6 s HIS 29 CO 0.32 -0.11 -0.02 0.20 -2.00 0.00 0.00 174.74 173.13 2jq6 s GLY 30 N 1.24 1.69 -0.25 -1.38 0.00 -1.26 -5.07 107.32 102.28 2jq6 s GLY 30 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2jq6 s GLY 30 CO -0.03 0.17 -0.06 -0.19 0.00 0.00 0.00 173.10 173.00 2jq6 s TYR 31 N 0.89 2.72 -0.21 1.90 1.51 -1.26 -5.09 117.35 117.80 2jq6 s TYR 31 Ca 0.00 -2.01 -0.29 0.00 -1.01 0.00 0.00 57.07 53.76 2jq6 s TYR 31 Cb -0.14 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2jq6 s TYR 31 CO 0.02 -0.82 1.45 0.20 -1.11 0.00 0.00 175.55 175.28 2jq6 s GLY 32 N 1.28 1.40 -0.28 0.71 0.00 -1.26 -4.98 107.32 104.19 2jq6 s GLY 32 Ca -0.05 0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.91 2jq6 s GLY 32 CO -0.07 2.77 0.48 1.85 0.00 0.00 0.00 173.10 178.13 2jq6 s GLU 33 N 4.19 3.99 0.16 2.90 2.12 -1.26 -5.05 118.70 125.74 2jq6 s GLU 33 Ca 0.63 0.18 -0.25 0.00 0.36 0.00 0.00 54.97 55.89 2jq6 s GLU 33 Cb -0.23 -3.68 -0.08 0.00 0.26 0.00 0.00 34.13 30.41 2jq6 s GLU 33 CO 0.24 -0.38 0.76 0.20 -0.54 0.00 0.00 175.26 175.55 2jq6 s GLY 34 N 1.60 2.90 0.02 -1.50 0.00 -1.26 -5.00 107.32 104.08 2jq6 s GLY 34 Ca 0.19 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.95 2jq6 s GLY 34 CO 0.10 0.84 1.74 0.00 0.00 0.00 0.00 173.10 175.78 2jq6 s ALA 35 N -1.16 3.64 -0.37 3.20 0.00 -1.26 -4.94 121.76 120.87 2jq6 s ALA 35 Ca 0.36 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 53.18 2jq6 s ALA 35 Cb -0.23 -3.75 0.02 0.00 0.00 0.00 0.00 23.12 19.16 2jq6 s ALA 35 CO 0.26 -1.33 1.03 0.20 0.00 0.00 0.00 175.76 175.92 2jq6 s GLY 36 N 3.27 1.50 0.54 0.00 0.00 -1.26 -5.01 107.32 106.36 2jq6 s GLY 36 Ca 0.77 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 2jq6 s GLY 36 CO 0.34 2.21 1.02 -1.83 0.00 0.00 0.00 173.10 174.84 2jq6 s GLU 37 N 3.77 3.66 -1.36 2.90 -1.05 -1.26 -4.93 118.70 120.44 2jq6 s GLU 37 Ca 0.43 1.12 -0.16 0.00 -0.15 0.00 0.00 54.97 56.22 2jq6 s GLU 37 Cb -0.11 -2.09 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2jq6 s GLU 37 CO 0.20 -0.52 2.10 0.41 0.95 0.00 0.00 175.26 178.40 2jq6 n GLY 38 N -1.11 3.80 3.68 -3.83 0.00 -1.26 -4.96 105.19 101.51 2jq6 n GLY 38 Ca 0.08 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 2jq6 n GLY 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jq6 n ILE 39 N 5.51 2.53 -1.48 -0.61 -6.64 -1.26 -4.83 119.36 112.58 2jq6 n ILE 39 Ca 0.51 -0.27 -0.43 0.00 -1.77 0.00 0.00 62.75 60.79 2jq6 n ILE 39 Cb 0.41 -1.21 -0.03 0.00 -1.44 0.00 0.00 39.64 37.37 2jq6 n ILE 39 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2jq6 n ASP 40 N -2.80 3.27 -3.19 7.28 8.00 -1.26 -4.53 116.55 123.33 2jq6 n ASP 40 Ca 0.14 -2.77 -0.18 0.00 0.71 0.00 0.00 54.79 52.69 2jq6 n ASP 40 Cb 0.50 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.12 2jq6 n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jq6 s ASP 41 N 4.01 0.48 -0.89 -2.24 -1.08 -1.26 -5.09 116.67 110.60 2jq6 s ASP 41 Ca 0.52 -2.35 -0.21 0.00 -0.52 0.00 0.00 52.55 49.99 2jq6 s ASP 41 Cb 0.14 0.49 0.09 0.00 -1.46 0.00 0.00 42.92 42.19 2jq6 s ASP 41 CO 0.00 -0.15 1.19 0.54 0.52 0.00 0.00 175.17 177.27 2jq6 s VAL 42 N 0.60 4.37 -0.89 1.11 0.11 -1.26 -4.93 120.40 119.50 2jq6 s VAL 42 Ca 0.29 -1.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.17 2jq6 s VAL 42 Cb -0.01 -4.84 0.17 0.00 -1.53 0.00 0.00 36.38 30.17 2jq6 s VAL 42 CO -0.12 -1.63 0.97 -0.70 -3.33 0.00 0.00 175.10 170.29 2jq6 s GLU 43 N 3.75 3.62 -0.12 1.54 2.12 -1.26 -5.02 118.70 123.34 2jq6 s GLU 43 Ca 0.34 -2.12 -0.10 0.00 0.36 0.00 0.00 54.97 53.45 2jq6 s GLU 43 Cb -0.06 -4.69 -0.05 0.00 0.26 0.00 0.00 34.13 29.59 2jq6 s GLU 43 CO -0.04 -1.55 0.20 -0.46 -0.54 0.00 0.00 175.26 172.87 2jq6 s TRP 44 N 1.45 3.57 -2.00 5.30 -0.00 -1.26 -4.97 118.94 121.03 2jq6 s TRP 44 Ca 0.26 0.57 0.06 0.00 -0.00 0.00 0.00 56.10 57.00 2jq6 s TRP 44 Cb -0.07 -2.08 0.37 0.00 -0.00 0.00 0.00 33.47 31.69 2jq6 s TRP 44 CO -0.09 0.58 0.78 0.28 -0.00 0.00 0.00 176.95 178.50 2jq6 n VAL 45 N 2.43 0.00 0.03 5.86 0.31 -1.26 -2.21 118.33 123.48 2jq6 n VAL 45 Ca -0.17 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.23 2jq6 n VAL 45 Cb 0.54 -0.56 -0.09 0.00 -0.91 0.00 0.00 33.84 32.81 2jq6 n VAL 45 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2jq6 n VAL 46 N -0.75 0.56 0.27 2.52 0.31 -1.26 -3.55 118.33 116.43 2jq6 n VAL 46 Ca 0.05 -0.59 0.11 0.00 -0.01 0.00 0.00 64.34 63.90 2jq6 n VAL 46 Cb 0.02 -0.30 0.50 0.00 -0.91 0.00 0.00 33.84 33.16 2jq6 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jq6 n GLY 47 N 1.30 -1.03 0.07 2.92 0.00 -0.94 -0.46 105.19 107.05 2jq6 n GLY 47 Ca -0.06 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 2jq6 n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jq6 n LYS 48 N -2.17 1.29 -0.05 1.61 2.85 -1.25 -4.56 118.16 115.87 2jq6 n LYS 48 Ca 0.00 -0.03 0.08 0.00 -1.05 0.00 0.00 58.31 57.31 2jq6 n LYS 48 Cb 0.12 -1.40 0.09 0.00 -0.65 0.00 0.00 35.03 33.19 2jq6 n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jq6 n ASP 49 N -2.50 2.46 -0.14 -5.58 2.03 -0.93 -4.54 116.55 107.35 2jq6 n ASP 49 Ca -0.22 -1.70 -0.04 0.00 0.52 0.00 0.00 54.79 53.35 2jq6 n ASP 49 Cb 0.92 -0.06 0.05 0.00 -0.72 0.00 0.00 41.12 41.30 2jq6 n ASP 49 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2jq6 h LYS 50 N 2.94 0.31 -0.29 -0.67 3.64 -1.01 -1.49 116.57 120.00 2jq6 h LYS 50 Ca 0.00 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2jq6 h LYS 50 Cb 0.67 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2jq6 h LYS 50 CO 0.00 0.21 0.27 -1.00 -2.27 0.00 0.00 179.45 176.66 2jq6 h PRO 51 N 0.32 0.00 -0.17 1.90 0.13 -1.85 0.36 132.00 132.69 2jq6 h PRO 51 Ca 0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.26 2jq6 h PRO 51 Cb 0.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2jq6 h PRO 51 CO -0.22 0.00 -0.22 1.15 -0.23 0.00 0.00 178.00 178.48 2jq6 h THR 52 N 0.00 1.34 0.00 1.56 2.02 -1.60 0.64 112.91 116.88 2jq6 h THR 52 Ca 0.14 -1.41 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 2jq6 h THR 52 Cb 0.68 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2jq6 h THR 52 CO -0.00 0.42 -0.33 1.88 0.37 0.00 0.00 175.52 177.86 2jq6 h TYR 53 N 0.09 0.00 0.11 3.16 0.05 -1.00 -2.51 116.97 116.88 2jq6 h TYR 53 Ca 0.02 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.52 2jq6 h TYR 53 Cb 0.78 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.54 2jq6 h TYR 53 CO 0.09 0.33 -1.21 0.22 -1.05 0.00 0.00 178.16 176.54 2jq6 h ASP 54 N 0.00 0.71 -0.24 3.88 3.58 -0.20 -0.18 116.42 123.97 2jq6 h ASP 54 Ca -0.00 -0.67 -0.12 0.00 0.42 0.00 0.00 57.03 56.66 2jq6 h ASP 54 Cb 1.04 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2jq6 h ASP 54 CO 0.04 1.49 -0.26 1.05 -2.88 0.00 0.00 179.24 178.68 2jq6 h GLU 55 N 0.21 0.72 0.00 0.28 4.11 -0.79 -0.86 114.58 118.25 2jq6 h GLU 55 Ca -0.16 -0.30 -0.09 0.00 0.07 0.00 0.00 59.36 58.88 2jq6 h GLU 55 Cb 1.88 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 2jq6 h GLU 55 CO 0.22 0.90 -0.42 0.82 0.07 0.00 0.00 179.01 180.61 2jq6 h ILE 56 N 0.62 1.12 0.39 -1.06 2.04 -1.47 -2.01 117.51 117.15 2jq6 h ILE 56 Ca 0.08 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 2jq6 h ILE 56 Cb 0.76 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2jq6 h ILE 56 CO 0.06 0.41 -0.19 0.15 0.00 0.00 0.00 178.15 178.58 2jq6 h PHE 57 N 0.00 -0.49 0.00 1.37 3.57 -0.07 -0.66 116.94 120.66 2jq6 h PHE 57 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2jq6 h PHE 57 Cb 0.83 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 2jq6 h PHE 57 CO 0.00 -0.26 -0.11 1.88 -2.23 0.00 0.00 178.31 177.59 2jq6 h TYR 58 N -0.60 0.00 0.00 0.41 -1.99 -1.18 -2.04 116.97 111.56 2jq6 h TYR 58 Ca -0.05 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 2jq6 h TYR 58 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 2jq6 h TYR 58 CO -0.03 0.11 -0.36 1.15 -0.00 0.00 0.00 178.16 179.03 2jq6 h THR 59 N 0.00 0.83 -0.01 -2.88 2.02 -0.88 -2.51 112.91 109.49 2jq6 h THR 59 Ca -0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 2jq6 h THR 59 Cb 0.52 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2jq6 h THR 59 CO 0.01 0.36 -0.00 0.18 0.37 0.00 0.00 175.52 176.44 2jq6 n LEU 60 N -3.48 1.14 -2.28 2.58 4.77 -0.30 -4.99 117.00 114.44 2jq6 n LEU 60 Ca 0.00 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.59 2jq6 n LEU 60 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jq6 n LEU 60 CO 0.37 0.19 -0.23 -0.24 -1.33 0.00 0.00 177.39 176.15 2jq6 n SER 61 N -0.11 -5.76 -4.87 -1.43 2.88 -0.94 -5.03 113.62 98.35 2jq6 n SER 61 Ca 0.20 0.76 -0.31 0.00 -1.33 0.00 0.00 58.87 58.20 2jq6 n SER 61 Cb 0.30 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 2jq6 n SER 61 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jq6 s PRO 62 N -1.26 3.63 -0.11 -1.46 0.04 -1.25 -4.83 135.00 129.76 2jq6 s PRO 62 Ca 0.04 0.70 -0.00 0.00 0.04 0.00 0.00 61.00 61.78 2jq6 s PRO 62 Cb -0.01 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.42 2jq6 s PRO 62 CO 0.49 -0.48 -0.09 0.08 0.04 0.00 0.00 177.00 177.04 2jq6 s VAL 63 N -3.05 1.09 -1.43 -0.36 1.01 0.22 -4.79 120.40 113.09 2jq6 s VAL 63 Ca 0.54 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2jq6 s VAL 63 Cb -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2jq6 s VAL 63 CO 0.50 0.38 0.00 0.59 0.00 0.00 0.00 175.10 176.56 2jq6 n ASN 64 N 4.79 -4.62 0.00 3.32 3.02 -1.26 -2.56 115.26 117.95 2jq6 n ASN 64 Ca -0.14 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2jq6 n ASN 64 Cb 0.50 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 2jq6 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jq6 n GLY 65 N -1.16 1.03 3.51 7.41 0.00 -1.26 -5.06 105.19 109.66 2jq6 n GLY 65 Ca -0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 2jq6 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jq6 s LYS 66 N -0.97 0.80 -0.06 1.61 0.00 -1.06 -4.10 119.74 115.96 2jq6 s LYS 66 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 55.97 55.49 2jq6 s LYS 66 Cb 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 37.83 38.15 2jq6 s LYS 66 CO 0.00 -0.35 0.56 0.96 0.00 0.00 0.00 175.35 176.52 2jq6 s ILE 67 N -3.05 5.05 0.21 3.79 -4.36 0.65 0.71 121.20 124.19 2jq6 s ILE 67 Ca 0.05 1.15 -0.32 0.00 -0.26 0.00 0.00 60.65 61.27 2jq6 s ILE 67 Cb -0.01 -3.90 -0.12 0.00 1.25 0.00 0.00 42.46 39.68 2jq6 s ILE 67 CO -0.09 0.36 1.69 0.35 0.24 0.00 0.00 174.94 177.49 2jq6 n THR 68 N 3.23 0.11 0.10 8.37 -2.24 -1.26 -1.52 114.28 121.07 2jq6 n THR 68 Ca -0.06 -0.03 0.20 0.00 -2.27 0.00 0.00 64.05 61.89 2jq6 n THR 68 Cb 0.51 -1.92 0.75 0.00 -2.10 0.00 0.00 70.33 67.58 2jq6 n THR 68 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2jq6 h GLY 69 N 6.44 0.00 0.02 3.38 0.00 -1.14 0.19 103.07 111.96 2jq6 h GLY 69 Ca -0.44 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.11 2jq6 h GLY 69 CO 0.93 0.00 0.61 0.00 0.00 0.00 0.00 176.54 178.08 2jq6 h ALA 70 N 1.57 1.78 0.03 3.60 0.00 -1.88 0.42 119.26 124.77 2jq6 h ALA 70 Ca 0.19 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 2jq6 h ALA 70 Cb 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jq6 h ALA 70 CO -0.00 -0.18 -0.99 -0.91 0.00 0.00 0.00 179.25 177.16 2jq6 h ASN 71 N 0.66 0.16 0.19 0.00 2.35 -0.97 -1.54 115.58 116.44 2jq6 h ASN 71 Ca 0.60 -0.16 -0.20 0.00 -0.55 0.00 0.00 56.30 55.99 2jq6 h ASN 71 Cb 1.07 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2jq6 h ASN 71 CO -0.40 1.06 -0.79 0.00 -1.65 0.00 0.00 177.43 175.64 2jq6 h ALA 72 N 0.93 0.48 -0.49 -0.83 0.00 -1.20 -0.83 119.26 117.32 2jq6 h ALA 72 Ca -0.05 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2jq6 h ALA 72 Cb 1.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2jq6 h ALA 72 CO 0.14 0.76 -0.07 0.87 0.00 0.00 0.00 179.25 180.95 2jq6 h LYS 73 N 0.32 0.87 -0.60 0.00 1.79 -0.23 -1.50 116.57 117.22 2jq6 h LYS 73 Ca -0.05 -0.28 0.06 0.00 -2.18 0.00 0.00 60.65 58.20 2jq6 h LYS 73 Cb 1.39 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.91 2jq6 h LYS 73 CO 0.14 0.91 0.31 -0.22 -1.08 0.00 0.00 179.45 179.51 2jq6 h LYS 74 N 0.79 0.56 0.29 3.15 1.63 -0.92 0.54 116.57 122.61 2jq6 h LYS 74 Ca 0.14 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2jq6 h LYS 74 Cb 0.57 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2jq6 h LYS 74 CO 0.03 0.37 -0.14 1.49 -3.45 0.00 0.00 179.45 177.76 2jq6 h GLU 75 N 0.58 -0.37 0.00 1.90 4.57 -0.76 0.57 114.58 121.07 2jq6 h GLU 75 Ca 0.27 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2jq6 h GLU 75 Cb 0.19 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2jq6 h GLU 75 CO -0.19 -0.18 0.00 0.00 -1.18 0.00 0.00 179.01 177.46 2jq6 h MET 76 N -0.47 0.00 -0.00 1.92 -0.00 -1.07 -2.12 114.93 113.18 2jq6 h MET 76 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2jq6 h MET 76 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2jq6 h MET 76 CO 0.06 0.00 -0.03 0.28 -0.00 0.00 0.00 176.91 177.22 2jq6 h VAL 77 N 0.00 1.56 0.00 -0.10 2.07 0.45 -3.21 116.25 117.01 2jq6 h VAL 77 Ca 0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2jq6 h VAL 77 Cb 0.54 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2jq6 h VAL 77 CO 0.00 0.44 0.00 2.29 0.02 0.00 0.00 177.57 180.32 2jq6 n LYS 78 N -4.72 0.09 0.00 1.57 2.85 0.16 -0.76 118.16 117.35 2jq6 n LYS 78 Ca -0.09 0.37 0.04 0.00 -1.05 0.00 0.00 58.31 57.58 2jq6 n LYS 78 Cb 0.36 -1.68 0.22 0.00 -0.65 0.00 0.00 35.03 33.29 2jq6 n LYS 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jq6 n SER 79 N -1.85 0.00 -1.23 -5.58 7.64 -0.82 -4.85 113.62 106.93 2jq6 n SER 79 Ca 0.02 -0.54 -0.07 0.00 1.01 0.00 0.00 58.87 59.30 2jq6 n SER 79 Cb 0.17 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jq6 n LYS 80 N -0.80 -1.89 -4.29 1.43 5.02 0.06 -5.04 118.16 112.65 2jq6 n LYS 80 Ca 0.06 0.25 -0.25 0.00 -2.02 0.00 0.00 58.31 56.34 2jq6 n LYS 80 Cb 0.03 -3.59 -0.08 0.00 -0.02 0.00 0.00 35.03 31.36 2jq6 n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jq6 s LEU 81 N -2.56 3.11 0.63 -0.35 1.43 -1.20 -5.12 118.68 114.62 2jq6 s LEU 81 Ca 0.13 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 2jq6 s LEU 81 Cb -0.06 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2jq6 s LEU 81 CO 0.16 0.05 0.97 -2.16 0.23 0.00 0.00 176.35 175.60 2jq6 s PRO 82 N -3.29 2.96 0.54 1.29 0.04 -1.26 -4.86 135.00 130.41 2jq6 s PRO 82 Ca 0.29 0.20 0.26 0.00 0.04 0.00 0.00 61.00 61.78 2jq6 s PRO 82 Cb -0.07 -2.18 1.42 0.00 0.04 0.00 0.00 34.50 33.71 2jq6 s PRO 82 CO 0.18 -0.79 2.00 -0.91 0.04 0.00 0.00 177.00 177.52 2jq6 h ASN 83 N -0.33 0.00 0.41 6.66 -0.26 -1.99 0.25 115.58 120.31 2jq6 h ASN 83 Ca -0.45 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.27 2jq6 h ASN 83 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2jq6 h ASN 83 CO 0.62 0.00 -0.20 0.74 -1.06 0.00 0.00 177.43 177.53 2jq6 h THR 84 N 0.00 0.60 -0.51 2.81 2.02 -1.99 0.37 112.91 116.21 2jq6 h THR 84 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 2jq6 h THR 84 Cb 0.97 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2jq6 h THR 84 CO -0.00 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.46 2jq6 h VAL 85 N -0.55 1.26 -0.27 3.16 2.07 -1.62 -1.81 116.25 118.50 2jq6 h VAL 85 Ca -0.06 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.43 2jq6 h VAL 85 Cb 0.42 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2jq6 h VAL 85 CO 0.09 0.39 -0.34 -0.07 0.02 0.00 0.00 177.57 177.65 2jq6 h LEU 86 N 0.77 -1.10 -0.45 2.57 -0.00 -0.87 0.85 115.31 117.07 2jq6 h LEU 86 Ca 0.14 0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 2jq6 h LEU 86 Cb 0.53 0.49 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 2jq6 h LEU 86 CO 0.03 -0.35 0.20 1.23 -0.00 0.00 0.00 178.44 179.54 2jq6 h GLY 87 N -0.33 0.72 1.98 0.83 0.00 -0.02 -0.61 103.07 105.64 2jq6 h GLY 87 Ca 0.13 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 2jq6 h GLY 87 CO -0.46 0.36 -0.76 0.07 0.00 0.00 0.00 176.54 175.75 2jq6 h LYS 88 N 0.59 0.00 -0.34 4.80 2.10 -1.17 -1.57 116.57 120.99 2jq6 h LYS 88 Ca 0.15 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.67 2jq6 h LYS 88 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 2jq6 h LYS 88 CO -0.02 0.74 -0.31 0.82 -2.00 0.00 0.00 179.45 178.68 2jq6 h ILE 89 N 0.00 1.29 0.51 0.07 2.04 -0.75 -1.55 117.51 119.12 2jq6 h ILE 89 Ca -0.01 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2jq6 h ILE 89 Cb 1.58 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 2jq6 h ILE 89 CO 0.10 0.48 -0.46 -0.25 0.00 0.00 0.00 178.15 178.02 2jq6 h TRP 90 N 0.59 -1.25 0.00 1.37 2.91 -1.02 -1.72 115.95 116.83 2jq6 h TRP 90 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2jq6 h TRP 90 Cb 0.89 0.48 0.00 0.00 -0.51 0.00 0.00 29.16 30.02 2jq6 h TRP 90 CO 0.07 -0.63 0.00 1.57 -1.03 0.00 0.00 178.44 178.41 2jq6 h LYS 91 N -0.96 0.00 0.17 2.65 2.10 -1.31 0.56 116.57 119.77 2jq6 h LYS 91 Ca -0.06 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.28 2jq6 h LYS 91 Cb 0.83 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.17 2jq6 h LYS 91 CO -0.03 0.00 -1.49 1.25 -2.00 0.00 0.00 179.45 177.17 2jq6 h LEU 92 N 0.00 0.56 0.04 7.07 5.85 -1.00 -3.37 115.31 124.46 2jq6 h LEU 92 Ca 0.00 -0.69 -0.32 0.00 0.84 0.00 0.00 57.88 57.71 2jq6 h LEU 92 Cb 0.41 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2jq6 h LEU 92 CO 0.00 1.56 -1.87 0.00 -0.34 0.00 0.00 178.44 177.79 2jq6 n ALA 93 N -2.68 1.28 -2.72 1.25 0.00 -0.67 -4.57 120.51 112.40 2jq6 n ALA 93 Ca -0.16 -0.75 -0.43 0.00 0.00 0.00 0.00 53.44 52.10 2jq6 n ALA 93 Cb 1.06 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 2jq6 n ALA 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jq6 s ASP 94 N -6.40 6.90 0.47 0.00 2.15 0.19 -4.76 116.67 115.22 2jq6 s ASP 94 Ca -0.12 -2.58 0.24 0.00 0.43 0.00 0.00 52.55 50.52 2jq6 s ASP 94 Cb 0.07 -2.51 1.16 0.00 -0.30 0.00 0.00 42.92 41.34 2jq6 s ASP 94 CO 0.80 -1.03 1.95 0.58 -0.17 0.00 0.00 175.17 177.30 2jq6 h VAL 95 N 5.32 0.69 0.00 1.11 2.07 -1.80 -2.81 116.25 120.82 2jq6 h VAL 95 Ca 0.38 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 2jq6 h VAL 95 Cb 0.88 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2jq6 h VAL 95 CO 1.37 0.20 -1.31 -0.90 0.02 0.00 0.00 177.57 176.95 2jq6 n ASP 96 N -3.64 0.83 -2.55 0.57 5.68 -1.26 -4.98 116.55 111.20 2jq6 n ASP 96 Ca -0.01 0.35 -0.13 0.00 -0.50 0.00 0.00 54.79 54.50 2jq6 n ASP 96 Cb 0.33 0.30 0.06 0.00 -1.14 0.00 0.00 41.12 40.66 2jq6 n ASP 96 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jq6 n LYS 97 N -2.81 -4.73 0.00 0.11 5.02 -1.06 -4.91 118.16 109.78 2jq6 n LYS 97 Ca -0.07 0.55 0.09 0.00 -2.02 0.00 0.00 58.31 56.85 2jq6 n LYS 97 Cb 0.74 -4.69 0.06 0.00 -0.02 0.00 0.00 35.03 31.12 2jq6 n LYS 97 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jq6 n ASP 98 N -1.93 2.29 -0.24 4.39 5.68 -1.26 -4.96 116.55 120.52 2jq6 n ASP 98 Ca -0.10 -1.64 -0.03 0.00 -0.50 0.00 0.00 54.79 52.52 2jq6 n ASP 98 Cb 0.58 0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.65 2jq6 n ASP 98 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jq6 n GLY 99 N 1.03 0.62 3.57 6.12 0.00 -1.26 -4.98 105.19 110.29 2jq6 n GLY 99 Ca 0.10 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2jq6 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jq6 s LEU 100 N -0.70 0.41 -0.18 0.99 0.05 -1.26 -0.54 118.68 117.46 2jq6 s LEU 100 Ca 0.00 -1.02 -0.05 0.00 0.05 0.00 0.00 54.13 53.11 2jq6 s LEU 100 Cb 0.00 1.73 0.09 0.00 -2.05 0.00 0.00 46.19 45.96 2jq6 s LEU 100 CO 0.00 -1.17 0.31 -0.76 -0.55 0.00 0.00 176.35 174.18 2jq6 s LEU 101 N -3.05 -0.41 0.00 1.48 1.43 -0.57 -4.83 118.68 112.72 2jq6 s LEU 101 Ca 0.24 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2jq6 s LEU 101 Cb -0.01 0.87 0.15 0.00 0.03 0.00 0.00 46.19 47.23 2jq6 s LEU 101 CO 0.11 -0.27 0.77 -0.90 0.23 0.00 0.00 176.35 176.29 2jq6 n ASP 102 N 5.36 -0.43 0.18 2.29 5.75 -1.26 -0.26 116.55 128.18 2jq6 n ASP 102 Ca -0.06 -1.18 0.07 0.00 -0.01 0.00 0.00 54.79 53.61 2jq6 n ASP 102 Cb 0.50 -0.61 0.57 0.00 -1.03 0.00 0.00 41.12 40.54 2jq6 n ASP 102 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2jq6 h ASP 103 N -1.34 0.14 -0.12 -1.12 3.04 -1.96 0.34 116.42 115.40 2jq6 h ASP 103 Ca -0.26 -0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.29 2jq6 h ASP 103 Cb 0.73 -0.03 0.01 0.00 -1.04 0.00 0.00 39.33 39.00 2jq6 h ASP 103 CO 0.18 0.11 -0.83 -0.08 -2.04 0.00 0.00 179.24 176.58 2jq6 h GLU 104 N 0.16 0.78 -0.52 4.15 4.81 -1.93 -1.81 114.58 120.23 2jq6 h GLU 104 Ca 0.04 -0.67 -0.11 0.00 -0.13 0.00 0.00 59.36 58.49 2jq6 h GLU 104 Cb 0.00 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2jq6 h GLU 104 CO -0.01 1.27 -0.11 0.93 -0.73 0.00 0.00 179.01 180.37 2jq6 h GLU 105 N 0.52 0.97 -0.66 1.92 5.08 -1.51 -2.13 114.58 118.77 2jq6 h GLU 105 Ca -0.07 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2jq6 h GLU 105 Cb 1.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 2jq6 h GLU 105 CO 0.17 1.02 0.14 0.35 -1.00 0.00 0.00 179.01 179.69 2jq6 h PHE 106 N 0.86 1.11 -0.50 4.33 3.04 -0.41 0.23 116.94 125.60 2jq6 h PHE 106 Ca 0.14 -0.13 0.10 0.00 3.98 0.00 0.00 57.97 62.05 2jq6 h PHE 106 Cb 0.65 -0.31 -0.09 0.00 2.56 0.00 0.00 35.95 38.76 2jq6 h PHE 106 CO 0.04 0.92 -0.05 0.00 -2.02 0.00 0.00 178.31 177.20 2jq6 h ALA 107 N 1.14 0.42 0.02 2.41 0.00 -0.83 0.13 119.26 122.54 2jq6 h ALA 107 Ca 0.21 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2jq6 h ALA 107 Cb 0.38 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jq6 h ALA 107 CO 0.01 -0.41 -0.01 1.25 0.00 0.00 0.00 179.25 180.08 2jq6 h LEU 108 N 0.06 -0.02 -0.55 0.00 6.46 -1.03 -1.89 115.31 118.33 2jq6 h LEU 108 Ca 0.25 -0.51 0.09 0.00 -0.12 0.00 0.00 57.88 57.59 2jq6 h LEU 108 Cb 0.38 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 2jq6 h LEU 108 CO -0.46 0.50 -0.39 0.00 -0.62 0.00 0.00 178.44 177.47 2jq6 h ALA 109 N 0.40 -0.24 0.00 1.25 0.00 0.00 0.24 119.26 120.92 2jq6 h ALA 109 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jq6 h ALA 109 Cb 0.53 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jq6 h ALA 109 CO 0.00 -0.78 -0.21 -0.97 0.00 0.00 0.00 179.25 177.30 2jq6 h ASN 110 N -0.22 0.00 -0.30 0.00 -0.00 -0.86 -2.05 115.58 112.14 2jq6 h ASN 110 Ca 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.41 2jq6 h ASN 110 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.87 2jq6 h ASN 110 CO -0.66 0.21 -0.12 -0.74 -0.00 0.00 0.00 177.43 176.12 2jq6 h HIS 111 N 0.00 0.71 -0.20 0.67 2.76 0.02 -1.42 115.15 117.68 2jq6 h HIS 111 Ca -0.00 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 57.95 2jq6 h HIS 111 Cb 0.81 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2jq6 h HIS 111 CO 0.00 0.83 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.27 2jq6 h LEU 112 N 0.38 0.31 0.09 0.26 3.38 -0.28 0.16 115.31 119.60 2jq6 h LEU 112 Ca 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jq6 h LEU 112 Cb 0.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jq6 h LEU 112 CO 0.04 0.46 -0.04 0.40 0.09 0.00 0.00 178.44 179.39 2jq6 h ILE 113 N 0.31 0.95 0.00 1.22 1.08 -1.02 -0.33 117.51 119.71 2jq6 h ILE 113 Ca 0.06 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.35 2jq6 h ILE 113 Cb 0.40 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2jq6 h ILE 113 CO 0.02 0.03 -0.28 0.07 -0.69 0.00 0.00 178.15 177.31 2jq6 h LYS 114 N -0.18 0.00 -0.27 2.37 2.10 -0.96 -0.23 116.57 119.40 2jq6 h LYS 114 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2jq6 h LYS 114 Cb 0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2jq6 h LYS 114 CO 0.02 0.28 0.17 0.28 -2.00 0.00 0.00 179.45 178.20 2jq6 h VAL 115 N 0.00 1.09 -0.02 0.07 2.07 -0.34 -1.82 116.25 117.29 2jq6 h VAL 115 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2jq6 h VAL 115 Cb 0.83 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2jq6 h VAL 115 CO 0.04 0.08 0.00 2.29 0.02 0.00 0.00 177.57 180.00 2jq6 n LYS 116 N -4.88 1.36 0.10 1.57 2.85 -0.16 -2.55 118.16 116.45 2jq6 n LYS 116 Ca -0.02 -0.53 -0.01 0.00 -1.05 0.00 0.00 58.31 56.70 2jq6 n LYS 116 Cb 0.04 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 2jq6 n LYS 116 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jq6 h LEU 117 N 1.26 0.00 -2.46 -5.58 5.85 -0.26 -3.26 115.31 110.87 2jq6 h LEU 117 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jq6 h LEU 117 Cb 0.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2jq6 h LEU 117 CO 0.00 0.66 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.41 2jq6 h GLU 118 N 0.00 0.00 0.00 1.25 5.08 -1.08 -3.45 114.58 116.37 2jq6 h GLU 118 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jq6 h GLU 118 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2jq6 h GLU 118 CO 0.08 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 2jq6 n GLY 119 N -0.91 1.38 3.09 -3.84 0.00 -1.23 -5.11 105.19 98.57 2jq6 n GLY 119 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2jq6 n GLY 119 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jq6 s HIS 120 N -2.00 1.59 0.71 1.61 -3.43 -1.26 -5.09 115.29 107.42 2jq6 s HIS 120 Ca 0.00 -0.50 -0.11 0.00 -0.80 0.00 0.00 55.06 53.64 2jq6 s HIS 120 Cb 0.00 -1.10 0.02 0.00 -1.43 0.00 0.00 32.58 30.06 2jq6 s HIS 120 CO 0.00 -0.20 1.08 -1.83 -2.00 0.00 0.00 174.74 171.79 2jq6 s GLU 121 N 0.26 2.81 0.42 -0.38 -1.05 -1.26 -3.60 118.70 115.90 2jq6 s GLU 121 Ca -0.08 0.60 -0.24 0.00 -0.15 0.00 0.00 54.97 55.10 2jq6 s GLU 121 Cb -0.13 -2.00 -0.08 0.00 -0.44 0.00 0.00 34.13 31.48 2jq6 s GLU 121 CO 0.03 -1.10 1.16 -0.51 0.95 0.00 0.00 175.26 175.79 2jq6 s LEU 122 N -5.45 4.14 0.00 1.83 2.01 -1.26 -4.93 118.68 115.02 2jq6 s LEU 122 Ca 0.58 2.32 0.27 0.00 0.01 0.00 0.00 54.13 57.31 2jq6 s LEU 122 Cb -0.12 -4.10 1.31 0.00 0.01 0.00 0.00 46.19 43.29 2jq6 s LEU 122 CO 0.53 -0.74 1.89 -0.81 1.01 0.00 0.00 176.35 178.23 2jq6 n PRO 123 N -0.10 0.32 -1.49 1.29 -0.04 -1.26 -4.85 135.00 128.87 2jq6 n PRO 123 Ca 0.05 0.04 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 2jq6 n PRO 123 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2jq6 n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jq6 n ALA 124 N -1.32 -0.26 -2.37 0.55 0.00 -1.26 -4.98 120.51 110.87 2jq6 n ALA 124 Ca 0.12 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 2jq6 n ALA 124 Cb 0.23 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 17.74 2jq6 n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jq6 s ASP 125 N -2.78 3.14 -0.35 0.00 2.15 -1.26 -5.07 116.67 112.50 2jq6 s ASP 125 Ca 0.00 -0.63 -0.01 0.00 0.43 0.00 0.00 52.55 52.34 2jq6 s ASP 125 Cb 0.00 -0.26 0.08 0.00 -0.30 0.00 0.00 42.92 42.44 2jq6 s ASP 125 CO 0.00 0.23 0.08 -0.22 -0.17 0.00 0.00 175.17 175.09 2jq6 s LEU 126 N -1.44 4.56 0.23 -1.34 0.20 -1.26 -5.08 118.68 114.55 2jq6 s LEU 126 Ca 0.12 -1.72 -0.15 0.00 0.69 0.00 0.00 54.13 53.07 2jq6 s LEU 126 Cb -0.10 -1.74 -0.08 0.00 -0.43 0.00 0.00 46.19 43.84 2jq6 s LEU 126 CO 0.03 -0.39 0.65 -2.16 -0.29 0.00 0.00 176.35 174.19 2jq6 s PRO 127 N 1.14 4.03 0.52 0.98 0.05 -1.26 -4.98 135.00 135.49 2jq6 s PRO 127 Ca 0.03 0.61 0.24 0.00 0.05 0.00 0.00 61.00 61.92 2jq6 s PRO 127 Cb -0.21 -2.74 1.36 0.00 0.05 0.00 0.00 34.50 32.96 2jq6 s PRO 127 CO -0.04 0.34 2.00 -1.00 0.05 0.00 0.00 177.00 178.36 2jq6 h PRO 128 N 3.00 0.03 -0.99 0.56 0.13 -1.99 -0.20 132.00 132.56 2jq6 h PRO 128 Ca -0.48 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jq6 h PRO 128 Cb 1.18 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jq6 h PRO 128 CO 0.66 0.02 0.01 -2.39 -0.23 0.00 0.00 178.00 176.07 2jq6 n HIS 129 N -4.40 0.11 -1.51 1.56 1.44 -1.26 -3.13 115.22 108.03 2jq6 n HIS 129 Ca 0.09 -0.18 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2jq6 n HIS 129 Cb 0.56 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.51 2jq6 n HIS 129 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2jq6 n LEU 130 N 0.14 0.00 -4.75 2.39 7.94 -0.10 -4.53 117.00 118.09 2jq6 n LEU 130 Ca 0.02 -0.22 -0.38 0.00 -1.11 0.00 0.00 56.01 54.32 2jq6 n LEU 130 Cb 0.37 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.25 2jq6 n LEU 130 CO 0.02 0.24 0.12 0.54 -1.11 0.00 0.00 177.39 177.19 2jq6 s VAL 131 N 0.00 5.18 0.44 1.96 0.11 -1.15 -4.93 120.40 122.00 2jq6 s VAL 131 Ca 0.00 0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 59.64 2jq6 s VAL 131 Cb 0.00 -3.75 -0.09 0.00 -1.53 0.00 0.00 36.38 31.00 2jq6 s VAL 131 CO 0.00 0.39 1.29 -2.65 -3.33 0.00 0.00 175.10 170.80 2jq6 n PRO 132 N 3.27 1.93 0.05 1.54 -0.02 -1.26 -4.67 135.00 135.84 2jq6 n PRO 132 Ca -0.10 0.69 0.19 0.00 -2.02 0.00 0.00 63.50 62.27 2jq6 n PRO 132 Cb 0.52 -2.42 0.52 0.00 -0.02 0.00 0.00 33.50 32.10 2jq6 n PRO 132 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jq6 h PRO 133 N 2.04 0.00 0.00 0.52 0.11 -1.96 0.14 132.00 132.86 2jq6 h PRO 133 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2jq6 h PRO 133 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2jq6 h PRO 133 CO 0.60 0.00 -0.61 0.66 -0.21 0.00 0.00 178.00 178.44 2jq6 h SER 134 N 0.00 0.00 -0.03 -2.05 4.64 -2.01 -3.35 113.55 110.75 2jq6 h SER 134 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2jq6 h SER 134 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 2jq6 h SER 134 CO -0.00 0.41 0.00 2.29 -0.87 0.00 0.00 176.83 178.65 2jq6 n LYS 135 N -3.11 1.76 -1.47 4.77 0.00 0.46 -4.84 118.16 115.74 2jq6 n LYS 135 Ca 0.00 -2.38 -0.42 0.00 -0.00 0.00 0.00 58.31 55.51 2jq6 n LYS 135 Cb 0.71 -1.43 -0.04 0.00 -0.00 0.00 0.00 35.03 34.28 2jq6 n LYS 135 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2jq6 n ARG 136 N -1.15 2.00 -3.37 -1.58 1.85 -1.01 -4.76 116.66 108.63 2jq6 n ARG 136 Ca 0.13 -2.19 -0.01 0.00 -1.00 0.00 0.00 57.85 54.79 2jq6 n ARG 136 Cb 0.58 -3.12 -0.04 0.00 -1.05 0.00 0.00 32.46 28.83 2jq6 n ARG 136 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2jq6 s ARG 137 N 4.54 0.51 -0.42 2.89 1.70 -1.26 -5.09 118.95 121.82 2jq6 s ARG 137 Ca 0.55 1.07 -0.20 0.00 -0.47 0.00 0.00 55.73 56.68 2jq6 s ARG 137 Cb 0.13 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.99 2jq6 s ARG 137 CO 0.06 -0.47 0.58 -1.01 -1.08 0.00 0.00 175.30 173.38 2jq6 s HIS 138 N 2.80 3.11 0.00 5.89 3.76 -1.26 -5.24 115.29 124.35 2jq6 s HIS 138 Ca 0.10 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2jq6 s HIS 138 Cb -0.14 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.37 2jq6 s HIS 138 CO -0.19 -0.77 0.24 0.39 -0.85 0.00 0.00 174.74 173.56