#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 0.67 -6.61 1.61 0.11 -2.07 -3.42 132.00 122.29 2jq6 h PRO 2 Ca 0.00 -0.52 -0.52 0.00 0.11 0.00 0.00 66.00 65.06 2jq6 h PRO 2 Cb 0.00 0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.23 2jq6 h PRO 2 CO 0.00 1.14 0.59 -1.17 -0.21 0.00 0.00 178.00 178.36 2jq6 s LEU 3 N -8.56 4.42 0.00 2.35 2.96 -1.26 -2.61 118.68 115.98 2jq6 s LEU 3 Ca -0.12 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 2jq6 s LEU 3 Cb 0.07 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2jq6 s LEU 3 CO 0.86 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 176.05 2jq6 n GLY 4 N 2.60 0.65 3.74 7.98 0.00 -1.26 -5.05 105.19 113.86 2jq6 n GLY 4 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2jq6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jq6 s SER 5 N -2.89 6.43 -0.15 1.61 0.15 -1.07 -5.06 113.70 112.72 2jq6 s SER 5 Ca 0.00 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 56.85 2jq6 s SER 5 Cb 0.00 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 2jq6 s SER 5 CO 0.00 0.14 1.12 -1.61 1.20 0.00 0.00 173.24 174.09 2jq6 s GLU 6 N 0.27 4.31 -0.48 5.44 0.41 -1.26 -4.99 118.70 122.40 2jq6 s GLU 6 Ca 0.16 1.50 -0.29 0.00 -0.41 0.00 0.00 54.97 55.93 2jq6 s GLU 6 Cb -0.13 -3.63 0.02 0.00 -1.78 0.00 0.00 34.13 28.61 2jq6 s GLU 6 CO 0.04 -0.54 1.26 -1.12 -0.49 0.00 0.00 175.26 174.40 2jq6 s SER 7 N 1.41 6.46 0.15 -0.19 0.01 -1.26 -4.98 113.70 115.31 2jq6 s SER 7 Ca 0.50 0.51 -0.31 0.00 1.31 0.00 0.00 55.95 57.96 2jq6 s SER 7 Cb -0.19 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 2jq6 s SER 7 CO 0.14 -1.39 1.42 -0.76 0.41 0.00 0.00 173.24 173.06 2jq6 s LEU 8 N 4.99 4.38 -0.21 2.44 2.01 -1.26 -5.01 118.68 126.03 2jq6 s LEU 8 Ca 0.52 2.44 -0.05 0.00 0.01 0.00 0.00 54.13 57.05 2jq6 s LEU 8 Cb -0.09 -3.60 -0.02 0.00 0.01 0.00 0.00 46.19 42.49 2jq6 s LEU 8 CO 0.31 -0.68 0.00 -0.04 1.01 0.00 0.00 176.35 176.95 2jq6 s MET 9 N 0.75 3.60 0.42 1.70 -1.94 -1.26 -4.99 119.30 117.58 2jq6 s MET 9 Ca 0.64 -0.52 0.10 0.00 -1.71 0.00 0.00 55.69 54.20 2jq6 s MET 9 Cb -0.39 -3.09 0.94 0.00 2.01 0.00 0.00 34.83 34.30 2jq6 s MET 9 CO 0.33 -0.02 2.03 -1.00 -0.01 0.00 0.00 175.02 176.35 2jq6 h PRO 10 N 7.60 0.47 -3.63 2.03 0.13 -2.06 -3.28 132.00 133.26 2jq6 h PRO 10 Ca -0.37 -0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 64.00 2jq6 h PRO 10 Cb 1.18 -0.11 -0.32 0.00 0.13 0.00 0.00 31.00 31.88 2jq6 h PRO 10 CO 0.61 0.31 -0.15 -1.54 -0.23 0.00 0.00 178.00 176.99 2jq6 s SER 11 N -6.50 5.89 -0.99 1.44 1.04 -1.26 -4.94 113.70 108.38 2jq6 s SER 11 Ca -0.08 -2.91 -0.01 0.00 0.48 0.00 0.00 55.95 53.44 2jq6 s SER 11 Cb 0.18 -1.99 0.32 0.00 0.10 0.00 0.00 66.02 64.63 2jq6 s SER 11 CO 0.74 -0.42 1.76 0.00 0.98 0.00 0.00 173.24 176.30 2jq6 n GLN 12 N 3.51 5.23 -4.03 4.02 10.64 -1.24 -4.92 117.38 130.60 2jq6 n GLN 12 Ca 0.12 -4.67 -0.32 0.00 -1.83 0.00 0.00 57.00 50.30 2jq6 n GLN 12 Cb 0.41 -2.45 -0.15 0.00 -0.86 0.00 0.00 30.24 27.19 2jq6 n GLN 12 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2jq6 s VAL 13 N -4.37 2.32 -0.60 -0.39 1.01 -1.26 -5.07 120.40 112.04 2jq6 s VAL 13 Ca 0.40 -1.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.19 2jq6 s VAL 13 Cb 0.20 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2jq6 s VAL 13 CO -0.14 -0.32 0.89 0.68 0.00 0.00 0.00 175.10 176.21 2jq6 s VAL 14 N 1.02 4.45 -1.16 2.92 -7.23 -1.26 -4.97 120.40 114.17 2jq6 s VAL 14 Ca 0.01 -0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 59.80 2jq6 s VAL 14 Cb -0.20 -4.57 0.12 0.00 0.56 0.00 0.00 36.38 32.29 2jq6 s VAL 14 CO -0.06 -1.24 1.46 -0.54 -0.31 0.00 0.00 175.10 174.42 2jq6 s LYS 15 N 3.74 3.92 -0.41 4.82 1.02 -1.26 -4.97 119.74 126.60 2jq6 s LYS 15 Ca 0.23 -2.12 -0.29 0.00 0.02 0.00 0.00 55.97 53.81 2jq6 s LYS 15 Cb -0.16 -5.20 0.00 0.00 -0.52 0.00 0.00 37.83 31.95 2jq6 s LYS 15 CO 0.13 -1.95 1.51 0.20 -0.92 0.00 0.00 175.35 174.33 2jq6 s GLY 16 N 3.58 0.99 0.00 -3.33 0.00 -1.26 -2.73 107.32 104.56 2jq6 s GLY 16 Ca 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2jq6 s GLY 16 CO -0.01 2.90 0.00 0.61 0.00 0.00 0.00 173.10 176.61 2jq6 n GLY 17 N 5.19 0.77 3.38 0.20 0.00 -1.26 -4.98 105.19 108.48 2jq6 n GLY 17 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.96 3.46 -0.30 4.61 0.00 -1.11 -5.02 121.76 120.44 2jq6 s ALA 18 Ca 0.00 -2.39 -0.22 0.00 0.00 0.00 0.00 51.96 49.35 2jq6 s ALA 18 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 2jq6 s ALA 18 CO 0.00 -2.43 0.74 -0.59 0.00 0.00 0.00 175.76 173.48 2jq6 s PHE 19 N 2.49 3.21 -0.11 0.00 -0.71 -1.26 -4.94 117.98 116.65 2jq6 s PHE 19 Ca 0.15 0.75 -0.05 0.00 -1.04 0.00 0.00 56.93 56.75 2jq6 s PHE 19 Cb -0.20 -3.14 -0.04 0.00 -1.21 0.00 0.00 43.02 38.43 2jq6 s PHE 19 CO 0.03 -0.53 0.07 0.16 -1.34 0.00 0.00 175.22 173.61 2jq6 s ASP 20 N 1.61 5.78 -0.78 1.98 -4.77 -1.26 -5.06 116.67 114.18 2jq6 s ASP 20 Ca 0.30 0.28 -0.01 0.00 -3.30 0.00 0.00 52.55 49.82 2jq6 s ASP 20 Cb -0.14 -1.78 0.19 0.00 -1.09 0.00 0.00 42.92 40.10 2jq6 s ASP 20 CO 0.12 0.37 0.62 -0.83 0.70 0.00 0.00 175.17 176.16 2jq6 s GLY 21 N -0.83 2.86 -0.07 2.12 0.00 -1.26 -5.03 107.32 105.11 2jq6 s GLY 21 Ca 0.13 -3.64 -0.10 0.00 0.00 0.00 0.00 44.72 41.11 2jq6 s GLY 21 CO 0.03 1.15 0.25 -1.59 0.00 0.00 0.00 173.10 172.94 2jq6 s THR 22 N -0.91 0.02 0.35 0.90 2.01 -1.26 -4.78 115.64 111.97 2jq6 s THR 22 Ca 0.23 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2jq6 s THR 22 Cb -0.12 -0.43 -0.11 0.00 0.01 0.00 0.00 72.50 71.86 2jq6 s THR 22 CO -0.10 -0.11 1.53 -0.32 -0.69 0.00 0.00 174.62 174.93 2jq6 s MET 23 N -0.37 4.11 0.23 4.92 -2.45 -1.26 -5.00 119.30 119.48 2jq6 s MET 23 Ca -0.05 2.58 -0.10 0.00 -1.25 0.00 0.00 55.69 56.87 2jq6 s MET 23 Cb -0.03 -2.99 -0.07 0.00 1.25 0.00 0.00 34.83 32.99 2jq6 s MET 23 CO 0.01 -0.57 0.55 -0.80 1.05 0.00 0.00 175.02 175.26 2jq6 s ASN 24 N 0.09 6.63 0.00 1.11 -0.87 -1.26 -4.46 114.94 116.18 2jq6 s ASN 24 Ca 0.57 0.92 0.00 0.00 -1.57 0.00 0.00 52.86 52.78 2jq6 s ASN 24 Cb -0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 2jq6 s ASN 24 CO 0.58 -0.06 0.00 0.61 -2.57 0.00 0.00 177.10 175.65 2jq6 n GLY 25 N -0.10 0.98 0.00 0.66 0.00 -1.26 -4.92 105.19 100.55 2jq6 n GLY 25 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2jq6 n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jq6 n PRO 26 N 0.00 0.66 -2.80 1.61 -0.02 -1.26 -4.75 135.00 128.44 2jq6 n PRO 26 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2jq6 n PRO 26 Cb 0.00 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 2jq6 n PRO 26 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jq6 s PHE 27 N -2.00 3.44 0.81 6.00 0.08 -1.26 -5.04 117.98 120.01 2jq6 s PHE 27 Ca 0.28 1.38 -0.11 0.00 0.12 0.00 0.00 56.93 58.59 2jq6 s PHE 27 Cb 0.13 -3.10 0.09 0.00 -0.57 0.00 0.00 43.02 39.57 2jq6 s PHE 27 CO 0.21 -0.27 1.16 0.20 -0.10 0.00 0.00 175.22 176.43 2jq6 s GLY 28 N 1.15 1.64 0.20 4.36 0.00 -1.26 -5.10 107.32 108.30 2jq6 s GLY 28 Ca 0.42 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.37 2jq6 s GLY 28 CO 0.13 -0.28 -0.00 0.30 0.00 0.00 0.00 173.10 173.24 2jq6 s HIS 29 N -3.55 1.40 -0.84 1.90 3.76 -1.26 -5.09 115.29 111.62 2jq6 s HIS 29 Ca 0.63 -0.96 -0.25 0.00 -0.15 0.00 0.00 55.06 54.33 2jq6 s HIS 29 Cb -0.10 -0.80 0.03 0.00 1.11 0.00 0.00 32.58 32.82 2jq6 s HIS 29 CO 0.49 -0.11 1.39 0.20 -0.85 0.00 0.00 174.74 175.85 2jq6 s GLY 30 N -3.24 0.96 0.41 -2.22 0.00 -1.26 -4.97 107.32 97.00 2jq6 s GLY 30 Ca 0.26 -1.66 0.07 0.00 0.00 0.00 0.00 44.72 43.40 2jq6 s GLY 30 CO 0.06 2.73 0.28 -0.19 0.00 0.00 0.00 173.10 175.98 2jq6 s TYR 31 N 5.76 2.66 0.78 1.90 2.02 -1.26 -5.12 117.35 124.09 2jq6 s TYR 31 Ca 0.41 -0.54 -0.12 0.00 -0.37 0.00 0.00 57.07 56.45 2jq6 s TYR 31 Cb -0.05 -2.06 0.06 0.00 -0.40 0.00 0.00 41.96 39.51 2jq6 s TYR 31 CO 0.06 0.04 1.12 0.20 -1.57 0.00 0.00 175.55 175.40 2jq6 s GLY 32 N -4.01 1.85 0.13 0.71 0.00 -1.26 -4.91 107.32 99.83 2jq6 s GLY 32 Ca 0.44 0.48 -0.35 0.00 0.00 0.00 0.00 44.72 45.29 2jq6 s GLY 32 CO 0.25 0.85 1.19 1.18 0.00 0.00 0.00 173.10 176.57 2jq6 n GLU 33 N -3.38 0.99 -3.67 2.90 1.02 -1.26 -4.95 120.64 112.29 2jq6 n GLU 33 Ca 0.11 0.36 -0.39 0.00 -0.02 0.00 0.00 57.16 57.21 2jq6 n GLU 33 Cb 0.52 -1.88 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 2jq6 n GLU 33 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2jq6 s GLY 34 N 0.12 1.90 0.39 0.62 0.00 -1.26 -5.07 107.32 104.02 2jq6 s GLY 34 Ca 0.78 -1.88 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 2jq6 s GLY 34 CO 0.51 0.85 1.41 0.00 0.00 0.00 0.00 173.10 175.87 2jq6 s ALA 35 N 1.44 3.44 -0.36 3.20 0.00 -1.26 -4.98 121.76 123.24 2jq6 s ALA 35 Ca 0.01 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 2jq6 s ALA 35 Cb -0.21 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.39 2jq6 s ALA 35 CO 0.03 -0.96 0.17 0.20 0.00 0.00 0.00 175.76 175.20 2jq6 s GLY 36 N -0.39 1.90 0.60 0.00 0.00 -1.26 -5.08 107.32 103.09 2jq6 s GLY 36 Ca 0.54 -1.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.41 2jq6 s GLY 36 CO 0.57 0.82 0.79 -1.84 0.00 0.00 0.00 173.10 173.44 2jq6 n GLU 37 N 4.92 -0.94 -1.92 2.90 0.00 -1.26 -4.90 120.64 119.43 2jq6 n GLU 37 Ca -0.12 -1.22 -0.42 0.00 0.00 0.00 0.00 57.16 55.40 2jq6 n GLU 37 Cb 0.45 -0.84 0.00 0.00 0.00 0.00 0.00 31.44 31.05 2jq6 n GLU 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jq6 n GLY 38 N -0.40 4.10 3.75 -1.84 0.00 -1.26 -4.94 105.19 104.59 2jq6 n GLY 38 Ca 0.10 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 2jq6 n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jq6 s ILE 39 N 3.23 2.84 -1.17 -0.61 -5.25 -1.26 -4.87 121.20 114.11 2jq6 s ILE 39 Ca 0.48 0.39 -0.19 0.00 -0.99 0.00 0.00 60.65 60.34 2jq6 s ILE 39 Cb 0.12 -2.91 -0.04 0.00 2.95 0.00 0.00 42.46 42.58 2jq6 s ILE 39 CO -0.05 -0.24 1.94 0.47 -1.79 0.00 0.00 174.94 175.26 2jq6 n ASP 40 N -2.61 3.62 -4.40 4.36 9.92 -1.26 -4.84 116.55 121.34 2jq6 n ASP 40 Ca 0.12 -2.78 -0.45 0.00 -0.53 0.00 0.00 54.79 51.14 2jq6 n ASP 40 Cb 0.51 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.40 2jq6 n ASP 40 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jq6 s ASP 41 N 4.85 6.81 0.14 -2.24 -1.08 -1.26 -5.03 116.67 118.86 2jq6 s ASP 41 Ca 0.58 -2.56 -0.30 0.00 -0.52 0.00 0.00 52.55 49.74 2jq6 s ASP 41 Cb 0.07 -2.32 -0.06 0.00 -1.46 0.00 0.00 42.92 39.15 2jq6 s ASP 41 CO 0.07 -0.77 0.96 0.54 0.52 0.00 0.00 175.17 176.49 2jq6 s VAL 42 N 1.27 4.41 -0.46 1.11 0.11 -1.26 -5.00 120.40 120.58 2jq6 s VAL 42 Ca 0.29 2.07 -0.27 0.00 -2.93 0.00 0.00 61.98 61.14 2jq6 s VAL 42 Cb -0.07 -4.32 0.03 0.00 -1.53 0.00 0.00 36.38 30.49 2jq6 s VAL 42 CO -0.08 0.35 1.03 -0.70 -3.33 0.00 0.00 175.10 172.38 2jq6 s GLU 43 N -0.23 3.65 -0.00 1.54 2.12 -1.26 -5.01 118.70 119.51 2jq6 s GLU 43 Ca 0.46 0.40 0.08 0.00 0.36 0.00 0.00 54.97 56.27 2jq6 s GLU 43 Cb -0.24 -3.91 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 2jq6 s GLU 43 CO 0.30 -1.28 -0.26 -0.46 -0.54 0.00 0.00 175.26 173.02 2jq6 s TRP 44 N 4.09 2.31 0.52 5.30 -0.00 -1.26 -4.84 118.94 125.06 2jq6 s TRP 44 Ca 0.43 -0.43 0.20 0.00 -0.00 0.00 0.00 56.10 56.29 2jq6 s TRP 44 Cb -0.09 -1.46 1.06 0.00 -0.00 0.00 0.00 33.47 32.99 2jq6 s TRP 44 CO 0.28 0.01 1.57 0.28 -0.00 0.00 0.00 176.95 179.09 2jq6 h VAL 45 N 4.42 0.00 0.00 5.86 2.07 -1.96 0.22 116.25 126.86 2jq6 h VAL 45 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2jq6 h VAL 45 Cb 1.13 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2jq6 h VAL 45 CO 0.46 0.00 0.00 0.58 0.02 0.00 0.00 177.57 178.63 2jq6 h VAL 46 N 0.00 0.00 0.00 2.57 2.07 -1.95 -2.30 116.25 116.64 2jq6 h VAL 46 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2jq6 h VAL 46 Cb 0.94 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2jq6 h VAL 46 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2jq6 n GLY 47 N 0.63 -1.09 0.04 2.17 0.00 0.77 0.43 105.19 108.15 2jq6 n GLY 47 Ca 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.15 1.93 0.13 1.61 -0.00 -0.99 -4.58 118.16 114.10 2jq6 n LYS 48 Ca 0.01 -0.03 0.12 0.00 -0.00 0.00 0.00 58.31 58.41 2jq6 n LYS 48 Cb 0.15 -1.26 0.11 0.00 -0.00 0.00 0.00 35.03 34.03 2jq6 n LYS 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2jq6 h ASP 49 N 0.00 0.00 -0.32 -5.58 3.32 -1.00 -3.39 116.42 109.45 2jq6 h ASP 49 Ca -0.21 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.86 2jq6 h ASP 49 Cb 1.38 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.86 2jq6 h ASP 49 CO 0.01 0.02 -0.14 0.50 -1.72 0.00 0.00 179.24 177.91 2jq6 h LYS 50 N 0.00 -0.09 -1.00 3.56 3.64 -0.27 -2.46 116.57 119.96 2jq6 h LYS 50 Ca 0.00 0.01 0.37 0.00 -1.27 0.00 0.00 60.65 59.76 2jq6 h LYS 50 Cb 0.93 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.60 2jq6 h LYS 50 CO 0.00 -0.06 0.52 -1.35 -2.27 0.00 0.00 179.45 176.29 2jq6 h PRO 51 N -0.09 0.12 -0.07 1.90 0.11 -1.84 0.52 132.00 132.66 2jq6 h PRO 51 Ca 0.16 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 2jq6 h PRO 51 Cb 0.34 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.43 2jq6 h PRO 51 CO -0.38 0.08 -0.50 1.15 -0.21 0.00 0.00 178.00 178.15 2jq6 h THR 52 N 0.13 1.39 0.00 -1.15 2.02 -1.75 -0.55 112.91 113.00 2jq6 h THR 52 Ca 0.79 -1.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 2jq6 h THR 52 Cb 1.96 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 70.69 2jq6 h THR 52 CO -0.71 0.55 -0.31 1.88 0.37 0.00 0.00 175.52 177.30 2jq6 h TYR 53 N 0.01 0.00 0.18 3.16 0.05 -0.96 -2.40 116.97 117.01 2jq6 h TYR 53 Ca -0.04 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.43 2jq6 h TYR 53 Cb 1.16 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.91 2jq6 h TYR 53 CO 0.13 0.31 -1.41 0.22 -1.05 0.00 0.00 178.16 176.35 2jq6 h ASP 54 N 0.00 0.59 -0.47 3.88 3.58 -0.01 0.23 116.42 124.23 2jq6 h ASP 54 Ca -0.00 -0.67 -0.10 0.00 0.42 0.00 0.00 57.03 56.68 2jq6 h ASP 54 Cb 0.97 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 2jq6 h ASP 54 CO 0.04 1.53 -0.08 1.05 -2.88 0.00 0.00 179.24 178.90 2jq6 h GLU 55 N 0.10 0.88 -0.02 0.28 4.11 -1.02 -1.39 114.58 117.53 2jq6 h GLU 55 Ca -0.21 -0.33 -0.10 0.00 0.07 0.00 0.00 59.36 58.79 2jq6 h GLU 55 Cb 2.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 2jq6 h GLU 55 CO 0.22 0.97 -0.47 0.82 0.07 0.00 0.00 179.01 180.62 2jq6 h ILE 56 N 0.73 1.34 0.35 -1.06 2.04 -1.47 -1.55 117.51 117.89 2jq6 h ILE 56 Ca 0.12 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2jq6 h ILE 56 Cb 0.62 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2jq6 h ILE 56 CO 0.04 0.47 -0.28 0.15 0.00 0.00 0.00 178.15 178.53 2jq6 h PHE 57 N 0.03 -0.73 0.00 1.37 3.57 -0.40 0.20 116.94 120.98 2jq6 h PHE 57 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2jq6 h PHE 57 Cb 0.85 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 2jq6 h PHE 57 CO 0.00 -0.41 -0.10 1.88 -2.23 0.00 0.00 178.31 177.46 2jq6 h TYR 58 N -0.63 0.00 0.00 0.41 0.05 -1.22 -1.60 116.97 113.98 2jq6 h TYR 58 Ca -0.03 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2jq6 h TYR 58 Cb 0.55 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2jq6 h TYR 58 CO -0.14 0.10 -0.29 1.15 -1.05 0.00 0.00 178.16 177.92 2jq6 h THR 59 N 0.00 0.66 -0.44 -2.88 2.02 -0.56 -2.75 112.91 108.97 2jq6 h THR 59 Ca -0.00 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.82 2jq6 h THR 59 Cb 0.60 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2jq6 h THR 59 CO 0.01 0.29 0.00 0.18 0.37 0.00 0.00 175.52 176.37 2jq6 n LEU 60 N -3.40 2.76 -2.42 2.58 4.77 0.64 -5.00 117.00 116.93 2jq6 n LEU 60 Ca 0.00 -1.31 -0.00 0.00 -0.03 0.00 0.00 56.01 54.68 2jq6 n LEU 60 Cb 0.49 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2jq6 n LEU 60 CO 0.35 0.65 -0.38 -0.24 -1.33 0.00 0.00 177.39 176.45 2jq6 n SER 61 N 1.01 -6.55 -4.77 -1.43 2.88 -1.04 -4.89 113.62 98.84 2jq6 n SER 61 Ca 0.18 1.09 -0.38 0.00 -1.33 0.00 0.00 58.87 58.43 2jq6 n SER 61 Cb 0.46 -4.29 -0.04 0.00 -0.75 0.00 0.00 64.21 59.58 2jq6 n SER 61 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2jq6 s PRO 62 N -1.23 4.42 -0.19 -1.46 0.02 -1.25 -4.62 135.00 130.69 2jq6 s PRO 62 Ca -0.00 1.61 0.01 0.00 0.02 0.00 0.00 61.00 62.65 2jq6 s PRO 62 Cb 0.00 -2.86 0.03 0.00 0.02 0.00 0.00 34.50 31.69 2jq6 s PRO 62 CO 0.60 0.07 -0.17 0.08 -0.33 0.00 0.00 177.00 177.25 2jq6 s VAL 63 N -1.43 1.97 -1.21 3.83 1.01 0.25 -4.66 120.40 120.17 2jq6 s VAL 63 Ca 0.51 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2jq6 s VAL 63 Cb -0.26 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2jq6 s VAL 63 CO 0.33 0.41 0.00 0.59 0.00 0.00 0.00 175.10 176.42 2jq6 n ASN 64 N 4.62 -4.33 0.00 3.32 3.02 -1.26 -2.88 115.26 117.75 2jq6 n ASN 64 Ca -0.19 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2jq6 n ASN 64 Cb 0.48 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 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 -1.49 0.96 3.47 7.41 0.00 -1.26 -5.06 105.19 109.22 2jq6 n GLY 65 Ca -0.12 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.01 1.14 0.08 1.61 0.00 -1.14 -3.59 119.74 116.83 2jq6 s LYS 66 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 55.97 55.56 2jq6 s LYS 66 Cb 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 37.83 38.30 2jq6 s LYS 66 CO 0.00 -0.45 0.70 0.96 0.00 0.00 0.00 175.35 176.56 2jq6 s ILE 67 N -2.70 4.64 0.17 3.79 -4.36 0.11 0.86 121.20 123.73 2jq6 s ILE 67 Ca -0.03 1.50 -0.32 0.00 -0.26 0.00 0.00 60.65 61.54 2jq6 s ILE 67 Cb -0.01 -4.04 -0.12 0.00 1.25 0.00 0.00 42.46 39.54 2jq6 s ILE 67 CO -0.04 0.47 1.75 0.35 0.24 0.00 0.00 174.94 177.71 2jq6 n THR 68 N 2.16 0.12 -0.19 8.37 -2.24 -1.26 -0.91 114.28 120.33 2jq6 n THR 68 Ca -0.06 -0.02 0.22 0.00 -2.27 0.00 0.00 64.05 61.91 2jq6 n THR 68 Cb 0.50 -1.99 0.59 0.00 -2.10 0.00 0.00 70.33 67.33 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 7.27 0.50 0.84 3.38 0.00 -1.39 -0.26 103.07 113.41 2jq6 h GLY 69 Ca -0.44 -0.11 0.15 0.00 0.00 0.00 0.00 47.33 46.93 2jq6 h GLY 69 CO 0.95 0.00 0.44 0.00 0.00 0.00 0.00 176.54 177.93 2jq6 h ALA 70 N 1.61 2.36 0.15 3.60 0.00 -1.89 0.33 119.26 125.42 2jq6 h ALA 70 Ca 0.42 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 55.05 2jq6 h ALA 70 Cb 1.27 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.13 2jq6 h ALA 70 CO -0.10 -0.70 -1.12 -0.91 0.00 0.00 0.00 179.25 176.41 2jq6 h ASN 71 N 0.00 0.73 0.40 0.00 2.35 -1.40 0.02 115.58 117.68 2jq6 h ASN 71 Ca 0.25 -0.88 -0.11 0.00 -0.55 0.00 0.00 56.30 55.01 2jq6 h ASN 71 Cb 1.11 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2jq6 h ASN 71 CO -0.00 1.54 -0.49 0.00 -1.65 0.00 0.00 177.43 176.83 2jq6 h ALA 72 N 0.20 1.11 -0.48 -0.83 0.00 -1.33 -1.61 119.26 116.32 2jq6 h ALA 72 Ca -0.18 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 2jq6 h ALA 72 Cb 1.85 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2jq6 h ALA 72 CO 0.21 0.63 -0.05 0.87 0.00 0.00 0.00 179.25 180.92 2jq6 h LYS 73 N 0.09 0.82 -0.48 0.00 1.79 -0.36 -2.05 116.57 116.38 2jq6 h LYS 73 Ca 0.00 -0.25 0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2jq6 h LYS 73 Cb 0.89 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 2jq6 h LYS 73 CO 0.07 0.86 0.24 -0.22 -1.08 0.00 0.00 179.45 179.32 2jq6 h LYS 74 N 0.76 0.46 0.09 3.15 1.63 -0.08 0.37 116.57 122.94 2jq6 h LYS 74 Ca 0.14 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 2jq6 h LYS 74 Cb 0.52 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 2jq6 h LYS 74 CO 0.03 0.31 -0.18 0.93 -3.45 0.00 0.00 179.45 177.08 2jq6 h GLU 75 N 0.48 -0.33 0.00 1.90 4.39 -0.95 -0.96 114.58 119.10 2jq6 h GLU 75 Ca 0.21 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 2jq6 h GLU 75 Cb 0.12 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2jq6 h GLU 75 CO -0.15 -0.22 -0.23 0.00 -1.16 0.00 0.00 179.01 177.25 2jq6 h MET 76 N -0.34 0.00 0.36 2.33 -0.00 -1.03 -2.05 114.93 114.20 2jq6 h MET 76 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.71 2jq6 h MET 76 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2jq6 h MET 76 CO -0.11 0.23 -0.17 0.28 -0.00 0.00 0.00 176.91 177.14 2jq6 h VAL 77 N 0.00 0.56 0.00 -0.10 2.07 0.10 -3.16 116.25 115.71 2jq6 h VAL 77 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2jq6 h VAL 77 Cb 0.80 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2jq6 h VAL 77 CO 0.03 0.10 0.00 2.29 0.02 0.00 0.00 177.57 180.01 2jq6 n LYS 78 N -5.15 0.17 0.00 1.57 2.85 -0.40 -0.86 118.16 116.34 2jq6 n LYS 78 Ca -0.10 0.46 0.05 0.00 -1.05 0.00 0.00 58.31 57.67 2jq6 n LYS 78 Cb 0.28 -1.87 0.22 0.00 -0.65 0.00 0.00 35.03 33.01 2jq6 n LYS 78 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jq6 n SER 79 N -2.20 0.00 -2.10 -5.58 2.88 -0.78 -4.90 113.62 100.94 2jq6 n SER 79 Ca 0.01 0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 57.84 2jq6 n SER 79 Cb 0.18 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jq6 n LYS 80 N -1.37 -0.59 -4.27 -1.46 5.02 -0.04 -5.08 118.16 110.36 2jq6 n LYS 80 Ca 0.04 0.93 -0.15 0.00 -2.02 0.00 0.00 58.31 57.11 2jq6 n LYS 80 Cb 0.09 -3.17 -0.10 0.00 -0.02 0.00 0.00 35.03 31.83 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 -2.59 2.38 0.85 -0.35 1.43 -1.25 -5.11 118.68 114.04 2jq6 s LEU 81 Ca 0.02 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 2jq6 s LEU 81 Cb -0.00 -0.29 0.10 0.00 0.03 0.00 0.00 46.19 46.03 2jq6 s LEU 81 CO 0.30 -0.41 1.14 -2.16 0.23 0.00 0.00 176.35 175.44 2jq6 s PRO 82 N -3.80 1.60 0.35 1.29 0.04 -1.26 -4.92 135.00 128.31 2jq6 s PRO 82 Ca 0.21 0.29 0.09 0.00 0.04 0.00 0.00 61.00 61.63 2jq6 s PRO 82 Cb 0.04 -1.89 0.67 0.00 0.04 0.00 0.00 34.50 33.36 2jq6 s PRO 82 CO 0.03 -1.88 1.84 -0.91 0.04 0.00 0.00 177.00 176.12 2jq6 h ASN 83 N -1.27 0.22 0.07 6.66 -0.26 -2.01 -2.26 115.58 116.74 2jq6 h ASN 83 Ca -0.48 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.19 2jq6 h ASN 83 Cb 1.32 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 2jq6 h ASN 83 CO 0.63 0.47 -0.03 0.74 -1.06 0.00 0.00 177.43 178.17 2jq6 h THR 84 N 0.21 1.05 -0.81 2.81 2.02 -1.99 -0.24 112.91 115.96 2jq6 h THR 84 Ca 0.04 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2jq6 h THR 84 Cb 0.53 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2jq6 h THR 84 CO 0.04 0.10 0.34 0.58 0.37 0.00 0.00 175.52 176.95 2jq6 h VAL 85 N -0.28 1.26 -0.11 3.16 2.07 -1.92 -1.89 116.25 118.54 2jq6 h VAL 85 Ca -0.01 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2jq6 h VAL 85 Cb 0.24 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2jq6 h VAL 85 CO 0.02 0.33 0.06 -0.07 0.02 0.00 0.00 177.57 177.93 2jq6 h LEU 86 N 1.17 0.11 -1.23 2.57 4.07 -1.26 0.20 115.31 120.94 2jq6 h LEU 86 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2jq6 h LEU 86 Cb 0.20 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 2jq6 h LEU 86 CO -0.03 0.08 0.47 1.23 -1.08 0.00 0.00 178.44 179.12 2jq6 h GLY 87 N 0.14 1.06 1.62 0.83 0.00 -0.74 -0.09 103.07 105.87 2jq6 h GLY 87 Ca 0.04 -0.41 -0.23 0.00 0.00 0.00 0.00 47.33 46.73 2jq6 h GLY 87 CO -0.02 0.40 -1.22 0.07 0.00 0.00 0.00 176.54 175.78 2jq6 h LYS 88 N 1.01 0.00 -0.20 4.80 2.10 -1.05 -1.72 116.57 121.52 2jq6 h LYS 88 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2jq6 h LYS 88 Cb -0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 2jq6 h LYS 88 CO -0.06 0.76 0.13 0.82 -2.00 0.00 0.00 179.45 179.11 2jq6 h ILE 89 N 0.00 1.05 0.26 0.07 1.08 -0.33 -0.98 117.51 118.66 2jq6 h ILE 89 Ca -0.11 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2jq6 h ILE 89 Cb 1.81 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.31 2jq6 h ILE 89 CO 0.10 0.05 -0.24 -0.25 -0.69 0.00 0.00 178.15 177.13 2jq6 h TRP 90 N 0.27 -0.63 0.00 1.37 2.91 -0.94 -0.85 115.95 118.08 2jq6 h TRP 90 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2jq6 h TRP 90 Cb -0.03 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.86 2jq6 h TRP 90 CO -0.06 -0.35 0.00 0.36 -1.03 0.00 0.00 178.44 177.36 2jq6 n LYS 91 N -5.36 0.17 -0.04 2.65 2.85 -0.66 -0.42 118.16 117.34 2jq6 n LYS 91 Ca -0.09 0.04 -0.10 0.00 -1.05 0.00 0.00 58.31 57.12 2jq6 n LYS 91 Cb 0.27 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.01 2jq6 n LYS 91 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jq6 n LEU 92 N -1.41 0.79 0.07 -5.58 7.94 -0.38 -4.39 117.00 114.05 2jq6 n LEU 92 Ca 0.09 0.27 -0.22 0.00 -1.11 0.00 0.00 56.01 55.04 2jq6 n LEU 92 Cb 0.26 0.16 -0.15 0.00 0.53 0.00 0.00 43.42 44.22 2jq6 n LEU 92 CO 0.22 0.46 -0.20 0.00 -1.11 0.00 0.00 177.39 176.77 2jq6 h ALA 93 N 0.92 -0.03 -1.65 1.96 0.00 -0.69 -3.42 119.26 116.34 2jq6 h ALA 93 Ca -0.38 -0.87 -0.63 0.00 0.00 0.00 0.00 54.91 53.03 2jq6 h ALA 93 Cb 2.08 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 19.97 2jq6 h ALA 93 CO 0.06 0.63 0.68 0.34 0.00 0.00 0.00 179.25 180.96 2jq6 s ASP 94 N -7.20 6.26 0.37 0.00 -1.08 0.44 -4.77 116.67 110.68 2jq6 s ASP 94 Ca -0.14 -1.15 0.19 0.00 -0.52 0.00 0.00 52.55 50.93 2jq6 s ASP 94 Cb 0.03 -2.43 0.62 0.00 -1.46 0.00 0.00 42.92 39.67 2jq6 s ASP 94 CO 0.85 -1.42 1.70 -0.37 0.52 0.00 0.00 175.17 176.46 2jq6 h VAL 95 N 6.00 0.85 0.00 1.11 -1.51 -1.84 -2.81 116.25 118.05 2jq6 h VAL 95 Ca -0.19 -1.59 -0.15 0.00 -1.23 0.00 0.00 66.70 63.55 2jq6 h VAL 95 Cb 1.06 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 32.18 2jq6 h VAL 95 CO 1.19 0.37 -1.04 0.44 -1.23 0.00 0.00 177.57 177.30 2jq6 h ASP 96 N 0.00 0.00 -5.57 4.19 3.32 -1.96 -3.49 116.42 112.92 2jq6 h ASP 96 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2jq6 h ASP 96 Cb 0.95 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.52 2jq6 h ASP 96 CO 0.05 0.58 -0.21 0.29 -1.72 0.00 0.00 179.24 178.22 2jq6 n LYS 97 N -3.05 -1.40 -0.11 3.56 5.02 -1.06 -4.98 118.16 116.14 2jq6 n LYS 97 Ca -0.05 1.34 -0.24 0.00 -2.02 0.00 0.00 58.31 57.35 2jq6 n LYS 97 Cb 0.81 -5.29 -0.11 0.00 -0.02 0.00 0.00 35.03 30.41 2jq6 n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jq6 n ASP 98 N -1.99 1.97 0.00 4.39 8.00 -1.26 -4.98 116.55 122.68 2jq6 n ASP 98 Ca -0.05 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2jq6 n ASP 98 Cb 0.53 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2jq6 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jq6 n GLY 99 N 1.64 1.23 3.62 0.44 0.00 -1.26 -5.09 105.19 105.78 2jq6 n GLY 99 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.29 -0.11 0.99 0.05 -1.26 -1.01 118.68 117.63 2jq6 s LEU 100 Ca 0.00 -0.95 -0.04 0.00 0.05 0.00 0.00 54.13 53.20 2jq6 s LEU 100 Cb 0.00 1.90 0.06 0.00 -2.05 0.00 0.00 46.19 46.10 2jq6 s LEU 100 CO 0.00 -1.20 0.16 -0.76 -0.55 0.00 0.00 176.35 174.00 2jq6 s LEU 101 N -3.03 -0.04 0.00 1.48 1.43 -0.09 -4.81 118.68 113.62 2jq6 s LEU 101 Ca 0.21 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2jq6 s LEU 101 Cb -0.01 0.24 0.12 0.00 0.03 0.00 0.00 46.19 46.56 2jq6 s LEU 101 CO 0.10 -0.27 0.51 -0.90 0.23 0.00 0.00 176.35 176.02 2jq6 n ASP 102 N 5.32 -0.81 -0.22 2.29 5.68 -1.26 0.06 116.55 127.61 2jq6 n ASP 102 Ca -0.05 -0.97 0.11 0.00 -0.50 0.00 0.00 54.79 53.38 2jq6 n ASP 102 Cb 0.50 -0.43 0.40 0.00 -1.14 0.00 0.00 41.12 40.44 2jq6 n ASP 102 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2jq6 h ASP 103 N -1.31 0.60 0.88 -1.12 5.19 -1.96 0.18 116.42 118.88 2jq6 h ASP 103 Ca -0.18 0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.11 2jq6 h ASP 103 Cb 0.52 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2jq6 h ASP 103 CO 0.12 0.33 -1.20 -0.08 -3.12 0.00 0.00 179.24 175.29 2jq6 h GLU 104 N 0.65 0.00 0.06 3.56 4.81 -1.91 -2.62 114.58 119.12 2jq6 h GLU 104 Ca 0.39 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.37 2jq6 h GLU 104 Cb 0.61 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2jq6 h GLU 104 CO -0.15 0.30 -1.21 0.93 -0.73 0.00 0.00 179.01 178.14 2jq6 h GLU 105 N 0.00 0.12 -0.54 1.92 5.08 -1.50 -1.89 114.58 117.77 2jq6 h GLU 105 Ca -0.12 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2jq6 h GLU 105 Cb 1.49 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 2jq6 h GLU 105 CO 0.05 1.04 0.18 0.35 -1.00 0.00 0.00 179.01 179.63 2jq6 h PHE 106 N 0.03 0.85 -0.54 4.33 3.04 -0.78 0.54 116.94 124.42 2jq6 h PHE 106 Ca -0.11 -0.08 0.11 0.00 3.98 0.00 0.00 57.97 61.87 2jq6 h PHE 106 Cb 1.89 -0.25 -0.10 0.00 2.56 0.00 0.00 35.95 40.05 2jq6 h PHE 106 CO 0.03 0.72 -0.15 0.00 -2.02 0.00 0.00 178.31 176.89 2jq6 h ALA 107 N 1.04 0.33 -0.13 2.41 0.00 -1.29 0.43 119.26 122.06 2jq6 h ALA 107 Ca 0.17 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2jq6 h ALA 107 Cb 0.26 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jq6 h ALA 107 CO -0.01 -0.45 -0.00 1.25 0.00 0.00 0.00 179.25 180.04 2jq6 h LEU 108 N -0.01 0.22 -0.02 0.00 6.46 -1.09 -2.00 115.31 118.87 2jq6 h LEU 108 Ca 0.26 -0.32 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2jq6 h LEU 108 Cb 0.41 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 2jq6 h LEU 108 CO -0.56 0.48 -0.29 0.00 -0.62 0.00 0.00 178.44 177.45 2jq6 h ALA 109 N 0.74 -0.39 -0.02 1.25 0.00 -0.04 0.18 119.26 120.98 2jq6 h ALA 109 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jq6 h ALA 109 Cb 0.37 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2jq6 h ALA 109 CO 0.01 -0.79 -0.54 -0.97 0.00 0.00 0.00 179.25 176.95 2jq6 h ASN 110 N -0.43 0.07 -0.25 0.00 -0.73 -1.01 -1.53 115.58 111.70 2jq6 h ASN 110 Ca 0.07 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.09 2jq6 h ASN 110 Cb 0.52 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 2jq6 h ASN 110 CO -0.26 0.60 -0.25 -0.74 -0.37 0.00 0.00 177.43 176.41 2jq6 h HIS 111 N 0.05 0.83 -0.18 0.67 2.76 -0.63 -0.86 115.15 117.78 2jq6 h HIS 111 Ca -0.00 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 57.87 2jq6 h HIS 111 Cb 0.97 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 2jq6 h HIS 111 CO 0.00 0.90 -0.32 -0.07 -1.30 0.00 0.00 177.93 177.15 2jq6 h LEU 112 N 0.63 0.36 -0.37 0.26 3.38 -0.20 0.12 115.31 119.50 2jq6 h LEU 112 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2jq6 h LEU 112 Cb 0.75 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2jq6 h LEU 112 CO 0.06 0.67 0.18 0.40 0.09 0.00 0.00 178.44 179.84 2jq6 h ILE 113 N 0.31 1.16 0.00 1.22 2.04 -0.55 0.03 117.51 121.72 2jq6 h ILE 113 Ca 0.04 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 2jq6 h ILE 113 Cb 0.72 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2jq6 h ILE 113 CO 0.06 0.17 -0.47 0.07 0.00 0.00 0.00 178.15 177.97 2jq6 h LYS 114 N 0.46 0.00 -0.21 2.37 2.10 -1.03 -1.93 116.57 118.32 2jq6 h LYS 114 Ca 0.13 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2jq6 h LYS 114 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2jq6 h LYS 114 CO -0.02 0.47 0.09 0.28 -2.00 0.00 0.00 179.45 178.28 2jq6 h VAL 115 N 0.00 1.15 0.00 0.07 2.07 -0.21 -1.33 116.25 118.00 2jq6 h VAL 115 Ca -0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2jq6 h VAL 115 Cb 1.05 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2jq6 h VAL 115 CO 0.06 0.15 -0.15 0.07 0.02 0.00 0.00 177.57 177.72 2jq6 h LYS 116 N 0.20 0.00 0.00 1.57 2.10 -0.99 -2.30 116.57 117.15 2jq6 h LYS 116 Ca 0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2jq6 h LYS 116 Cb 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2jq6 h LYS 116 CO -0.01 0.15 -0.13 1.25 -2.00 0.00 0.00 179.45 178.72 2jq6 h LEU 117 N 0.00 0.00 -0.35 7.07 5.85 -0.68 -0.63 115.31 126.56 2jq6 h LEU 117 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jq6 h LEU 117 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jq6 h LEU 117 CO 0.02 0.13 0.00 -0.62 -0.34 0.00 0.00 178.44 177.63 2jq6 n GLU 118 N -3.28 0.08 0.00 1.25 1.02 -0.56 -4.84 120.64 114.30 2jq6 n GLU 118 Ca 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2jq6 n GLU 118 Cb 0.37 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2jq6 n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jq6 n GLY 119 N -0.23 1.34 3.67 0.62 0.00 -0.24 -5.04 105.19 105.30 2jq6 n GLY 119 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2jq6 n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jq6 s HIS 120 N -2.36 3.38 0.25 1.61 5.65 -1.25 -5.03 115.29 117.53 2jq6 s HIS 120 Ca 0.00 0.61 -0.28 0.00 0.25 0.00 0.00 55.06 55.64 2jq6 s HIS 120 Cb 0.00 -2.52 -0.09 0.00 -1.18 0.00 0.00 32.58 28.79 2jq6 s HIS 120 CO 0.00 -0.00 0.91 -1.83 -0.65 0.00 0.00 174.74 173.17 2jq6 s GLU 121 N 1.28 4.74 0.17 2.88 -1.05 -1.26 -3.63 118.70 121.83 2jq6 s GLU 121 Ca 0.19 1.39 -0.32 0.00 -0.15 0.00 0.00 54.97 56.08 2jq6 s GLU 121 Cb -0.15 -3.16 -0.10 0.00 -0.44 0.00 0.00 34.13 30.28 2jq6 s GLU 121 CO 0.08 0.47 1.59 -0.48 0.95 0.00 0.00 175.26 177.86 2jq6 s LEU 122 N -1.40 4.37 0.00 1.83 -0.00 -1.26 -4.91 118.68 117.31 2jq6 s LEU 122 Ca 0.42 2.65 0.27 0.00 -0.00 0.00 0.00 54.13 57.47 2jq6 s LEU 122 Cb -0.24 -3.60 1.12 0.00 -0.00 0.00 0.00 46.19 43.48 2jq6 s LEU 122 CO 0.29 -0.84 1.78 -0.81 -0.00 0.00 0.00 176.35 176.76 2jq6 n PRO 123 N 3.92 1.54 -1.37 1.48 -0.04 -1.26 -4.85 135.00 134.41 2jq6 n PRO 123 Ca 0.14 -0.79 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 2jq6 n PRO 123 Cb 0.38 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.03 -0.20 -2.73 0.55 0.00 -1.26 -5.00 120.51 111.84 2jq6 n ALA 124 Ca 0.19 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 2jq6 n ALA 124 Cb 0.30 -1.53 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.74 5.51 -0.31 0.00 2.15 -1.26 -5.05 116.67 114.97 2jq6 s ASP 125 Ca 0.00 0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.21 2jq6 s ASP 125 Cb 0.00 -1.60 0.09 0.00 -0.30 0.00 0.00 42.92 41.11 2jq6 s ASP 125 CO 0.00 0.37 0.04 -0.22 -0.17 0.00 0.00 175.17 175.19 2jq6 s LEU 126 N -1.02 3.55 0.46 -1.34 0.20 -1.26 -5.11 118.68 114.16 2jq6 s LEU 126 Ca 0.15 -1.78 -0.10 0.00 0.69 0.00 0.00 54.13 53.09 2jq6 s LEU 126 Cb -0.12 -1.32 -0.06 0.00 -0.43 0.00 0.00 46.19 44.27 2jq6 s LEU 126 CO 0.04 -0.35 0.82 -2.16 -0.29 0.00 0.00 176.35 174.41 2jq6 s PRO 127 N 1.21 3.71 0.56 0.98 0.05 -1.26 -4.95 135.00 135.31 2jq6 s PRO 127 Ca 0.06 0.47 0.37 0.00 0.05 0.00 0.00 61.00 61.96 2jq6 s PRO 127 Cb -0.19 -2.33 1.85 0.00 0.05 0.00 0.00 34.50 33.89 2jq6 s PRO 127 CO -0.12 -0.16 2.12 -1.35 0.05 0.00 0.00 177.00 177.54 2jq6 h PRO 128 N 0.79 0.00 -0.61 0.56 0.11 -2.00 0.08 132.00 130.93 2jq6 h PRO 128 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jq6 h PRO 128 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jq6 h PRO 128 CO 0.63 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.03 2jq6 n HIS 129 N -2.93 0.83 -1.86 0.65 1.44 -1.26 -3.27 115.22 108.82 2jq6 n HIS 129 Ca -0.01 -0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.37 2jq6 n HIS 129 Cb 0.15 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.08 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 0.45 0.00 -4.59 2.39 7.94 -0.06 -4.34 117.00 118.80 2jq6 n LEU 130 Ca 0.14 -0.81 -0.39 0.00 -1.11 0.00 0.00 56.01 53.84 2jq6 n LEU 130 Cb 0.56 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.41 2jq6 n LEU 130 CO 0.13 0.50 -0.06 0.54 -1.11 0.00 0.00 177.39 177.39 2jq6 s VAL 131 N 0.00 5.24 -0.10 1.96 0.11 -0.78 -4.82 120.40 122.01 2jq6 s VAL 131 Ca 0.00 0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 2jq6 s VAL 131 Cb 0.00 -3.63 -0.06 0.00 -1.53 0.00 0.00 36.38 31.16 2jq6 s VAL 131 CO 0.00 0.17 1.97 -2.84 -3.33 0.00 0.00 175.10 171.06 2jq6 s PRO 132 N 1.90 3.74 0.35 1.54 0.02 -1.26 -4.88 135.00 136.40 2jq6 s PRO 132 Ca 0.10 2.21 0.27 0.00 0.02 0.00 0.00 61.00 63.60 2jq6 s PRO 132 Cb -0.16 -4.20 1.03 0.00 0.02 0.00 0.00 34.50 31.20 2jq6 s PRO 132 CO 0.11 -1.40 1.80 -1.00 -0.33 0.00 0.00 177.00 176.17 2jq6 h PRO 133 N 12.05 0.00 0.00 5.54 0.13 -1.96 -2.94 132.00 144.82 2jq6 h PRO 133 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jq6 h PRO 133 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jq6 h PRO 133 CO 0.96 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.16 2jq6 n SER 134 N -2.55 0.00 -0.08 1.44 7.64 -1.26 -2.03 113.62 116.77 2jq6 n SER 134 Ca 0.02 0.44 0.04 0.00 1.01 0.00 0.00 58.87 60.38 2jq6 n SER 134 Cb 0.30 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 2jq6 n SER 134 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jq6 n LYS 135 N -1.48 3.39 -3.33 1.43 0.00 -1.12 -4.88 118.16 112.17 2jq6 n LYS 135 Ca 0.06 -0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 57.71 2jq6 n LYS 135 Cb 0.27 -0.95 -0.09 0.00 -0.00 0.00 0.00 35.03 34.26 2jq6 n LYS 135 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jq6 s ARG 136 N -1.54 3.21 -0.08 -1.58 1.81 -0.86 -5.04 118.95 114.88 2jq6 s ARG 136 Ca 0.05 -0.66 -0.13 0.00 -1.72 0.00 0.00 55.73 53.26 2jq6 s ARG 136 Cb 0.06 -3.93 0.03 0.00 -0.45 0.00 0.00 34.95 30.67 2jq6 s ARG 136 CO 0.28 -0.78 0.33 -0.98 -0.68 0.00 0.00 175.30 173.48 2jq6 s ARG 137 N 2.12 0.52 -0.20 3.54 3.03 -1.26 -4.87 118.95 121.83 2jq6 s ARG 137 Ca 0.12 0.19 -0.18 0.00 2.03 0.00 0.00 55.73 57.89 2jq6 s ARG 137 Cb -0.17 0.24 -0.03 0.00 -1.03 0.00 0.00 34.95 33.96 2jq6 s ARG 137 CO 0.13 -0.11 0.49 -1.58 -1.13 0.00 0.00 175.30 173.10 2jq6 s HIS 138 N -0.48 3.37 -2.45 5.89 2.46 -1.26 -5.23 115.29 117.59 2jq6 s HIS 138 Ca -0.06 0.72 0.28 0.00 0.47 0.00 0.00 55.06 56.48 2jq6 s HIS 138 Cb -0.04 -2.64 1.14 0.00 -0.13 0.00 0.00 32.58 30.92 2jq6 s HIS 138 CO 0.02 -0.09 1.80 -0.85 -2.47 0.00 0.00 174.74 173.15