#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jq6 s PRO 2 N 0.00 3.62 -0.31 1.61 0.02 -1.26 -4.98 135.00 133.70 2jq6 s PRO 2 Ca 0.00 1.52 -0.02 0.00 0.02 0.00 0.00 61.00 62.52 2jq6 s PRO 2 Cb 0.00 -4.09 0.05 0.00 0.02 0.00 0.00 34.50 30.49 2jq6 s PRO 2 CO 0.00 -1.50 0.01 -1.17 -0.33 0.00 0.00 177.00 174.01 2jq6 s LEU 3 N 5.77 4.00 0.00 -5.54 1.98 -1.26 -4.53 118.68 119.09 2jq6 s LEU 3 Ca 0.73 -1.33 0.00 0.00 -2.89 0.00 0.00 54.13 50.64 2jq6 s LEU 3 Cb -0.23 -1.72 0.00 0.00 0.66 0.00 0.00 46.19 44.90 2jq6 s LEU 3 CO 0.31 -0.28 0.00 0.61 -1.89 0.00 0.00 176.35 175.10 2jq6 n GLY 4 N 4.62 0.74 3.72 7.98 0.00 -1.26 -5.03 105.19 115.95 2jq6 n GLY 4 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.53 7.13 -0.17 1.61 0.01 -1.26 -4.96 113.70 113.52 2jq6 s SER 5 Ca 0.00 1.98 -0.29 0.00 1.31 0.00 0.00 55.95 58.95 2jq6 s SER 5 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2jq6 s SER 5 CO 0.00 -0.42 1.61 -1.61 0.41 0.00 0.00 173.24 173.23 2jq6 s GLU 6 N 0.91 3.93 -0.50 12.44 0.41 -1.26 -4.95 118.70 129.68 2jq6 s GLU 6 Ca 0.57 1.83 -0.28 0.00 -0.41 0.00 0.00 54.97 56.68 2jq6 s GLU 6 Cb -0.29 -4.01 0.01 0.00 -1.78 0.00 0.00 34.13 28.07 2jq6 s GLU 6 CO 0.30 -1.13 1.41 -1.12 -0.49 0.00 0.00 175.26 174.22 2jq6 s SER 7 N 3.88 6.22 0.06 -0.19 0.01 -1.26 -4.99 113.70 117.43 2jq6 s SER 7 Ca 0.71 0.49 -0.24 0.00 1.31 0.00 0.00 55.95 58.22 2jq6 s SER 7 Cb -0.27 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.35 2jq6 s SER 7 CO 0.28 -1.60 0.74 -0.22 0.41 0.00 0.00 173.24 172.86 2jq6 s LEU 8 N 5.80 4.47 -0.28 2.44 2.96 -1.26 -5.05 118.68 127.76 2jq6 s LEU 8 Ca 0.56 1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 55.81 2jq6 s LEU 8 Cb -0.12 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 2jq6 s LEU 8 CO 0.28 0.06 0.17 -0.04 -1.32 0.00 0.00 176.35 175.51 2jq6 s MET 9 N -0.29 3.86 -0.25 1.98 -1.94 -1.26 -5.04 119.30 116.37 2jq6 s MET 9 Ca 0.37 -0.37 -0.31 0.00 -1.71 0.00 0.00 55.69 53.67 2jq6 s MET 9 Cb -0.21 -3.60 -0.08 0.00 2.01 0.00 0.00 34.83 32.95 2jq6 s MET 9 CO 0.23 -0.20 2.18 -0.35 -0.01 0.00 0.00 175.02 176.87 2jq6 n PRO 10 N 5.04 1.67 -2.73 2.03 -0.04 -1.26 -4.88 135.00 134.82 2jq6 n PRO 10 Ca -0.14 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 2jq6 n PRO 10 Cb 0.52 -2.90 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 2jq6 n PRO 10 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jq6 s SER 11 N 7.52 6.61 -0.68 3.54 0.01 -1.26 -4.94 113.70 124.49 2jq6 s SER 11 Ca 1.03 -1.85 -0.21 0.00 1.31 0.00 0.00 55.95 56.24 2jq6 s SER 11 Cb -0.56 -2.49 0.09 0.00 0.21 0.00 0.00 66.02 63.27 2jq6 s SER 11 CO 0.42 -1.26 0.90 -1.10 0.41 0.00 0.00 173.24 172.61 2jq6 s GLN 12 N 3.81 3.18 -0.15 12.44 -0.21 -1.26 -5.02 119.66 132.45 2jq6 s GLN 12 Ca 0.41 -1.19 -0.19 0.00 0.02 0.00 0.00 55.36 54.41 2jq6 s GLN 12 Cb -0.02 -4.36 -0.03 0.00 1.00 0.00 0.00 33.01 29.60 2jq6 s GLN 12 CO -0.08 -1.71 0.55 0.14 -2.12 0.00 0.00 175.29 172.07 2jq6 s VAL 13 N 3.29 5.11 -0.86 1.09 -7.23 -1.26 -5.00 120.40 115.54 2jq6 s VAL 13 Ca 0.20 1.07 -0.24 0.00 -1.81 0.00 0.00 61.98 61.19 2jq6 s VAL 13 Cb -0.17 -3.88 0.05 0.00 0.56 0.00 0.00 36.38 32.94 2jq6 s VAL 13 CO 0.05 0.23 1.31 -0.69 -0.31 0.00 0.00 175.10 175.69 2jq6 s VAL 14 N 1.21 3.92 -0.03 1.32 1.01 -1.26 -4.98 120.40 121.60 2jq6 s VAL 14 Ca 0.28 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2jq6 s VAL 14 Cb -0.16 -4.95 -0.03 0.00 0.00 0.00 0.00 36.38 31.24 2jq6 s VAL 14 CO 0.11 -1.83 -0.02 -0.75 0.00 0.00 0.00 175.10 172.61 2jq6 s LYS 15 N 5.09 2.78 0.13 2.72 2.20 -1.26 -5.08 119.74 126.31 2jq6 s LYS 15 Ca 0.38 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 55.10 2jq6 s LYS 15 Cb -0.05 -2.65 -0.08 0.00 -1.51 0.00 0.00 37.83 33.53 2jq6 s LYS 15 CO 0.03 0.64 1.43 0.20 -0.36 0.00 0.00 175.35 177.29 2jq6 s GLY 16 N -1.30 1.88 0.00 5.54 0.00 -1.26 -2.67 107.32 109.51 2jq6 s GLY 16 Ca 0.17 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2jq6 s GLY 16 CO 0.07 2.41 0.00 0.61 0.00 0.00 0.00 173.10 176.19 2jq6 n GLY 17 N 3.53 1.18 3.68 0.20 0.00 -1.26 -5.02 105.19 107.51 2jq6 n GLY 17 Ca 0.12 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.03 3.68 -0.09 4.61 0.00 -1.09 -4.96 121.76 121.88 2jq6 s ALA 18 Ca 0.00 1.28 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 2jq6 s ALA 18 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2jq6 s ALA 18 CO 0.00 -1.26 0.63 0.12 0.00 0.00 0.00 175.76 175.25 2jq6 s PHE 19 N 3.16 3.54 -0.23 0.00 5.36 -1.26 -5.01 117.98 123.54 2jq6 s PHE 19 Ca 0.79 1.11 -0.29 0.00 -0.96 0.00 0.00 56.93 57.58 2jq6 s PHE 19 Cb -0.42 -2.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.52 2jq6 s PHE 19 CO 0.35 0.09 1.43 0.34 -1.46 0.00 0.00 175.22 175.96 2jq6 s ASP 20 N 0.78 6.63 -0.96 6.13 2.15 -1.26 -4.94 116.67 125.21 2jq6 s ASP 20 Ca 0.33 1.52 -0.01 0.00 0.43 0.00 0.00 52.55 54.83 2jq6 s ASP 20 Cb -0.17 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.22 2jq6 s ASP 20 CO 0.15 -1.06 1.38 0.61 -0.17 0.00 0.00 175.17 176.07 2jq6 n GLY 21 N 4.28 5.31 3.86 2.66 0.00 -1.26 -5.04 105.19 115.00 2jq6 n GLY 21 Ca 0.16 -2.68 -0.31 0.00 0.00 0.00 0.00 46.02 43.18 2jq6 n GLY 21 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jq6 s THR 22 N -3.12 4.68 -0.08 2.61 -1.32 -1.26 -5.08 115.64 112.08 2jq6 s THR 22 Ca 0.35 0.88 -0.00 0.00 -1.21 0.00 0.00 61.69 61.71 2jq6 s THR 22 Cb 0.11 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.38 2jq6 s THR 22 CO 0.03 -0.44 -0.05 0.00 -2.21 0.00 0.00 174.62 171.95 2jq6 s MET 23 N -3.59 2.89 -0.09 7.08 0.23 -1.26 -5.11 119.30 119.45 2jq6 s MET 23 Ca 0.54 -0.52 -0.04 0.00 -1.03 0.00 0.00 55.69 54.64 2jq6 s MET 23 Cb -0.10 -2.66 -0.04 0.00 -1.53 0.00 0.00 34.83 30.50 2jq6 s MET 23 CO 0.26 0.62 0.10 1.21 -2.03 0.00 0.00 175.02 175.18 2jq6 s ASN 24 N -0.69 5.99 0.00 -1.18 3.84 -1.26 -4.55 114.94 117.09 2jq6 s ASN 24 Ca 0.11 0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.51 2jq6 s ASN 24 Cb -0.11 -1.85 0.00 0.00 -0.55 0.00 0.00 41.25 38.74 2jq6 s ASN 24 CO 0.02 0.37 0.00 0.61 -2.79 0.00 0.00 177.10 175.31 2jq6 n GLY 25 N 1.83 1.07 0.18 1.21 0.00 -1.26 -5.02 105.19 103.20 2jq6 n GLY 25 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2jq6 n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jq6 h PRO 26 N 1.07 0.00 -5.72 1.61 0.14 -2.05 -3.46 132.00 123.59 2jq6 h PRO 26 Ca 0.00 0.00 -0.48 0.00 0.14 0.00 0.00 66.00 65.66 2jq6 h PRO 26 Cb 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 31.00 30.95 2jq6 h PRO 26 CO 0.00 0.00 -0.78 0.12 0.14 0.00 0.00 178.00 177.48 2jq6 s PHE 27 N -3.22 1.60 -0.17 1.56 5.36 -1.26 -5.09 117.98 116.75 2jq6 s PHE 27 Ca 0.06 -0.49 -0.29 0.00 -0.96 0.00 0.00 56.93 55.24 2jq6 s PHE 27 Cb 0.07 -0.83 -0.04 0.00 -0.34 0.00 0.00 43.02 41.88 2jq6 s PHE 27 CO 0.69 0.21 1.70 0.20 -1.46 0.00 0.00 175.22 176.56 2jq6 s GLY 28 N -2.38 1.24 0.09 13.12 0.00 -1.26 -4.98 107.32 113.15 2jq6 s GLY 28 Ca 0.10 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.52 2jq6 s GLY 28 CO 0.04 3.12 -0.13 -1.58 0.00 0.00 0.00 173.10 174.55 2jq6 s HIS 29 N 5.19 1.23 0.37 1.90 2.46 -1.26 -5.15 115.29 120.03 2jq6 s HIS 29 Ca 0.76 -0.54 -0.06 0.00 0.47 0.00 0.00 55.06 55.68 2jq6 s HIS 29 Cb -0.29 -0.67 0.09 0.00 -0.13 0.00 0.00 32.58 31.59 2jq6 s HIS 29 CO 0.31 0.07 0.25 0.41 -2.47 0.00 0.00 174.74 173.31 2jq6 n GLY 30 N 0.85 -3.36 3.50 1.59 0.00 -1.26 -4.99 105.19 101.52 2jq6 n GLY 30 Ca -0.18 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 2jq6 n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jq6 n TYR 31 N -3.53 -0.90 -1.55 1.61 4.01 -1.26 -4.79 117.16 110.75 2jq6 n TYR 31 Ca 0.04 -0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 2jq6 n TYR 31 Cb 0.16 -1.75 -0.04 0.00 -0.31 0.00 0.00 39.34 37.40 2jq6 n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jq6 n GLY 32 N 0.93 0.68 3.64 2.72 0.00 -1.26 -4.90 105.19 107.00 2jq6 n GLY 32 Ca 0.04 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.43 2jq6 n GLY 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jq6 s GLU 33 N 6.83 4.08 -0.13 1.61 -1.05 -1.26 -5.01 118.70 123.77 2jq6 s GLU 33 Ca 1.03 1.04 -0.24 0.00 -0.15 0.00 0.00 54.97 56.66 2jq6 s GLU 33 Cb -0.44 -3.72 -0.03 0.00 -0.44 0.00 0.00 34.13 29.51 2jq6 s GLU 33 CO 0.37 -0.82 0.74 0.20 0.95 0.00 0.00 175.26 176.70 2jq6 s GLY 34 N 1.57 2.32 0.40 -3.83 0.00 -1.26 -5.06 107.32 101.46 2jq6 s GLY 34 Ca 0.43 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2jq6 s GLY 34 CO 0.13 1.40 0.61 0.00 0.00 0.00 0.00 173.10 175.24 2jq6 s ALA 35 N 1.54 3.73 -0.26 3.20 0.00 -1.26 -5.09 121.76 123.62 2jq6 s ALA 35 Ca 0.36 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2jq6 s ALA 35 Cb -0.17 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 20.83 2jq6 s ALA 35 CO 0.15 -0.20 0.01 0.20 0.00 0.00 0.00 175.76 175.91 2jq6 s GLY 36 N -4.13 1.70 0.97 0.00 0.00 -1.26 -5.10 107.32 99.50 2jq6 s GLY 36 Ca 0.44 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.64 2jq6 s GLY 36 CO 0.37 0.56 1.32 -1.83 0.00 0.00 0.00 173.10 173.52 2jq6 s GLU 37 N 1.45 0.49 -1.41 2.90 -1.05 -1.26 -4.92 118.70 114.91 2jq6 s GLU 37 Ca 0.03 -0.60 -0.14 0.00 -0.15 0.00 0.00 54.97 54.10 2jq6 s GLU 37 Cb -0.16 -1.88 0.07 0.00 -0.44 0.00 0.00 34.13 31.71 2jq6 s GLU 37 CO -0.01 -2.47 2.09 0.41 0.95 0.00 0.00 175.26 176.23 2jq6 n GLY 38 N -3.75 4.17 3.78 -3.83 0.00 -1.26 -4.93 105.19 99.36 2jq6 n GLY 38 Ca 0.17 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 2.93 3.44 -1.16 -0.61 -5.25 -1.26 -4.89 121.20 114.40 2jq6 s ILE 39 Ca 0.47 0.63 -0.19 0.00 -0.99 0.00 0.00 60.65 60.57 2jq6 s ILE 39 Cb 0.11 -3.16 -0.04 0.00 2.95 0.00 0.00 42.46 42.32 2jq6 s ILE 39 CO -0.05 -0.45 1.99 -0.90 -1.79 0.00 0.00 174.94 173.74 2jq6 n ASP 40 N -2.52 3.49 -4.11 4.36 5.75 -1.26 -4.73 116.55 117.54 2jq6 n ASP 40 Ca 0.10 -2.78 -0.36 0.00 -0.01 0.00 0.00 54.79 51.73 2jq6 n ASP 40 Cb 0.52 -1.51 -0.07 0.00 -1.03 0.00 0.00 41.12 39.04 2jq6 n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jq6 s ASP 41 N 4.50 5.92 -0.26 -1.12 -1.08 -1.26 -5.05 116.67 118.32 2jq6 s ASP 41 Ca 0.55 -3.62 0.03 0.00 -0.52 0.00 0.00 52.55 48.99 2jq6 s ASP 41 Cb 0.10 -1.90 0.06 0.00 -1.46 0.00 0.00 42.92 39.71 2jq6 s ASP 41 CO 0.05 -0.21 -0.11 -0.69 0.52 0.00 0.00 175.17 174.73 2jq6 s VAL 42 N -1.20 2.17 -0.25 1.11 1.01 -1.26 -4.83 120.40 117.15 2jq6 s VAL 42 Ca 0.26 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.59 2jq6 s VAL 42 Cb -0.09 -2.27 0.09 0.00 0.00 0.00 0.00 36.38 34.12 2jq6 s VAL 42 CO -0.11 -0.01 0.13 -0.70 0.00 0.00 0.00 175.10 174.41 2jq6 s GLU 43 N 1.11 0.16 -0.00 2.72 2.12 -1.26 -5.06 118.70 118.48 2jq6 s GLU 43 Ca -0.08 -0.36 -0.23 0.00 0.36 0.00 0.00 54.97 54.65 2jq6 s GLU 43 Cb -0.20 -1.31 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 2jq6 s GLU 43 CO -0.05 -0.91 0.69 -0.46 -0.54 0.00 0.00 175.26 173.98 2jq6 s TRP 44 N 2.13 3.67 -1.38 5.30 -0.00 -1.26 -4.93 118.94 122.48 2jq6 s TRP 44 Ca 0.07 1.31 0.14 0.00 -0.00 0.00 0.00 56.10 57.63 2jq6 s TRP 44 Cb -0.16 -2.74 0.70 0.00 -0.00 0.00 0.00 33.47 31.27 2jq6 s TRP 44 CO -0.28 0.25 1.39 0.28 -0.00 0.00 0.00 176.95 178.58 2jq6 n VAL 45 N 3.03 0.66 0.07 5.86 0.31 -1.26 -2.02 118.33 124.97 2jq6 n VAL 45 Ca -0.04 0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.43 2jq6 n VAL 45 Cb 0.51 -0.93 -0.07 0.00 -0.91 0.00 0.00 33.84 32.43 2jq6 n VAL 45 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jq6 h VAL 46 N 0.00 1.08 0.00 2.52 2.07 -1.91 -2.97 116.25 117.04 2jq6 h VAL 46 Ca 0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2jq6 h VAL 46 Cb 0.14 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2jq6 h VAL 46 CO 0.00 0.62 0.00 1.23 0.02 0.00 0.00 177.57 179.44 2jq6 h GLY 47 N 3.37 0.00 0.00 2.17 0.00 -1.82 0.37 103.07 107.16 2jq6 h GLY 47 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.96 2jq6 h GLY 47 CO 0.09 0.00 -2.23 0.58 0.00 0.00 0.00 176.54 174.98 2jq6 n LYS 48 N -3.00 0.91 -0.15 4.80 2.85 -1.23 -4.52 118.16 117.82 2jq6 n LYS 48 Ca -0.03 -0.03 0.08 0.00 -1.05 0.00 0.00 58.31 57.28 2jq6 n LYS 48 Cb 0.08 -1.48 0.16 0.00 -0.65 0.00 0.00 35.03 33.14 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 -2.62 2.93 -0.11 -5.58 2.03 -0.73 -4.55 116.55 107.92 2jq6 n ASP 49 Ca -0.27 -1.86 -0.08 0.00 0.52 0.00 0.00 54.79 53.10 2jq6 n ASP 49 Cb 1.02 -0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 41.23 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 3.04 0.43 0.00 -0.67 3.64 -0.54 -2.34 116.57 120.12 2jq6 h LYS 50 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jq6 h LYS 50 Cb 0.77 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2jq6 h LYS 50 CO 0.00 0.28 -0.00 -1.00 -2.27 0.00 0.00 179.45 176.46 2jq6 h PRO 51 N 0.44 0.00 0.10 1.90 0.13 -1.85 0.29 132.00 133.01 2jq6 h PRO 51 Ca 0.14 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.00 2jq6 h PRO 51 Cb -0.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.13 2jq6 h PRO 51 CO -0.06 0.00 -1.16 1.15 -0.23 0.00 0.00 178.00 177.70 2jq6 h THR 52 N 0.00 1.41 0.00 1.56 2.02 -1.75 0.29 112.91 116.44 2jq6 h THR 52 Ca -0.00 -2.72 -0.11 0.00 0.77 0.00 0.00 66.41 64.34 2jq6 h THR 52 Cb 0.00 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 2jq6 h THR 52 CO 0.00 0.81 -0.58 1.88 0.37 0.00 0.00 175.52 178.00 2jq6 h TYR 53 N 0.17 0.00 0.02 3.16 0.05 -0.98 -2.76 116.97 116.63 2jq6 h TYR 53 Ca -0.14 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.42 2jq6 h TYR 53 Cb 1.85 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.59 2jq6 h TYR 53 CO 0.08 0.53 -0.96 0.22 -1.05 0.00 0.00 178.16 176.98 2jq6 h ASP 54 N 0.00 0.45 -0.52 3.88 1.82 -0.45 0.10 116.42 121.70 2jq6 h ASP 54 Ca -0.01 -0.38 -0.06 0.00 -0.39 0.00 0.00 57.03 56.19 2jq6 h ASP 54 Cb 1.42 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 2jq6 h ASP 54 CO 0.07 1.19 0.08 1.05 -1.61 0.00 0.00 179.24 180.01 2jq6 h GLU 55 N 0.18 0.87 -0.15 0.28 4.11 -0.93 -0.85 114.58 118.09 2jq6 h GLU 55 Ca -0.08 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.03 2jq6 h GLU 55 Cb 1.61 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2jq6 h GLU 55 CO 0.16 0.86 -0.30 0.82 0.07 0.00 0.00 179.01 180.61 2jq6 h ILE 56 N 0.75 1.27 0.31 -1.06 2.04 -1.42 -1.84 117.51 117.55 2jq6 h ILE 56 Ca 0.16 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 2jq6 h ILE 56 Cb 0.42 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2jq6 h ILE 56 CO 0.01 0.39 -0.28 0.15 0.00 0.00 0.00 178.15 178.42 2jq6 h PHE 57 N 0.25 -0.75 0.00 1.37 3.57 -0.08 -1.07 116.94 120.23 2jq6 h PHE 57 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2jq6 h PHE 57 Cb 0.67 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2jq6 h PHE 57 CO 0.01 -0.41 -0.14 1.88 -2.23 0.00 0.00 178.31 177.42 2jq6 h TYR 58 N -0.62 0.00 0.00 0.41 -1.99 -1.13 -2.05 116.97 111.60 2jq6 h TYR 58 Ca -0.02 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 2jq6 h TYR 58 Cb 0.55 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 2jq6 h TYR 58 CO -0.17 0.14 -0.09 1.15 -0.00 0.00 0.00 178.16 179.20 2jq6 h THR 59 N 0.00 0.23 -0.01 -2.88 2.02 -0.56 -2.05 112.91 109.66 2jq6 h THR 59 Ca -0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2jq6 h THR 59 Cb 0.57 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2jq6 h THR 59 CO 0.02 0.09 -0.05 0.18 0.37 0.00 0.00 175.52 176.13 2jq6 n LEU 60 N -3.23 1.21 -2.47 2.58 4.77 -0.48 -4.99 117.00 114.41 2jq6 n LEU 60 Ca 0.00 -0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 55.55 2jq6 n LEU 60 Cb 0.35 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2jq6 n LEU 60 CO 0.30 0.21 -0.01 -0.24 -1.33 0.00 0.00 177.39 176.31 2jq6 n SER 61 N -0.14 -6.32 -4.89 -1.43 2.88 -0.77 -5.04 113.62 97.91 2jq6 n SER 61 Ca 0.18 0.46 -0.30 0.00 -1.33 0.00 0.00 58.87 57.89 2jq6 n SER 61 Cb 0.32 -4.18 0.06 0.00 -0.75 0.00 0.00 64.21 59.66 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 -2.05 2.53 -0.09 -1.46 0.04 -1.26 -4.92 135.00 127.79 2jq6 s PRO 62 Ca 0.16 0.31 -0.02 0.00 0.04 0.00 0.00 61.00 61.50 2jq6 s PRO 62 Cb -0.04 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2jq6 s PRO 62 CO 0.56 -1.23 0.01 0.14 0.04 0.00 0.00 177.00 176.51 2jq6 s VAL 63 N -3.43 0.38 -1.30 -0.36 -7.23 -0.19 -4.75 120.40 103.52 2jq6 s VAL 63 Ca 0.59 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 2jq6 s VAL 63 Cb -0.11 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.25 2jq6 s VAL 63 CO 0.51 0.19 0.00 -3.20 -0.31 0.00 0.00 175.10 172.29 2jq6 n ASN 64 N 5.14 -4.43 0.00 4.85 5.15 -1.26 -3.25 115.26 121.46 2jq6 n ASN 64 Ca -0.07 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 2jq6 n ASN 64 Cb 0.50 -3.15 0.00 0.00 -0.53 0.00 0.00 39.78 36.60 2jq6 n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jq6 n GLY 65 N -1.36 1.20 3.51 8.20 0.00 -1.26 -5.08 105.19 110.41 2jq6 n GLY 65 Ca -0.13 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.49 0.84 -0.13 1.61 0.00 -1.20 -4.05 119.74 115.32 2jq6 s LYS 66 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 55.97 55.60 2jq6 s LYS 66 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 37.83 38.18 2jq6 s LYS 66 CO 0.00 -0.34 0.49 0.96 0.00 0.00 0.00 175.35 176.46 2jq6 s ILE 67 N -2.64 5.17 -1.14 3.79 -4.36 0.43 -1.02 121.20 121.42 2jq6 s ILE 67 Ca 0.02 0.98 -0.22 0.00 -0.26 0.00 0.00 60.65 61.16 2jq6 s ILE 67 Cb -0.01 -3.83 -0.05 0.00 1.25 0.00 0.00 42.46 39.82 2jq6 s ILE 67 CO -0.06 0.29 1.88 0.42 0.24 0.00 0.00 174.94 177.72 2jq6 s THR 68 N 0.82 3.63 0.00 8.37 -4.23 -1.26 -1.31 115.64 121.66 2jq6 s THR 68 Ca 0.26 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2jq6 s THR 68 Cb -0.15 -4.58 0.00 0.00 1.34 0.00 0.00 72.50 69.11 2jq6 s THR 68 CO 0.10 -1.18 0.00 0.61 -0.54 0.00 0.00 174.62 173.61 2jq6 n GLY 69 N 6.00 0.01 0.54 3.99 0.00 -0.93 -2.95 105.19 111.85 2jq6 n GLY 69 Ca 0.44 0.11 0.36 0.00 0.00 0.00 0.00 46.02 46.93 2jq6 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jq6 h ALA 70 N -0.14 3.11 -0.20 4.61 0.00 -1.88 0.43 119.26 125.20 2jq6 h ALA 70 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2jq6 h ALA 70 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jq6 h ALA 70 CO 0.00 -1.56 -0.44 -0.91 0.00 0.00 0.00 179.25 176.35 2jq6 h ASN 71 N 0.00 0.72 0.27 0.00 2.35 -1.87 0.28 115.58 117.33 2jq6 h ASN 71 Ca 0.57 -0.56 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 2jq6 h ASN 71 Cb 2.44 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 40.59 2jq6 h ASN 71 CO -0.01 1.15 -0.61 0.00 -1.65 0.00 0.00 177.43 176.32 2jq6 h ALA 72 N 0.59 0.78 -0.66 -0.83 0.00 -0.56 -1.97 119.26 116.61 2jq6 h ALA 72 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2jq6 h ALA 72 Cb 1.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2jq6 h ALA 72 CO 0.10 0.72 0.16 0.87 0.00 0.00 0.00 179.25 181.10 2jq6 h LYS 73 N 0.25 1.04 -0.47 0.00 1.79 -0.69 -1.68 116.57 116.81 2jq6 h LYS 73 Ca -0.01 -0.24 0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2jq6 h LYS 73 Cb 1.13 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.58 2jq6 h LYS 73 CO 0.10 0.92 0.13 -0.22 -1.08 0.00 0.00 179.45 179.30 2jq6 h LYS 74 N 0.99 0.28 -0.13 3.15 1.63 0.00 0.71 116.57 123.20 2jq6 h LYS 74 Ca 0.21 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2jq6 h LYS 74 Cb 0.35 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2jq6 h LYS 74 CO 0.00 0.18 0.08 0.93 -3.45 0.00 0.00 179.45 177.19 2jq6 h GLU 75 N 0.29 0.17 0.00 1.90 4.39 -0.94 -0.12 114.58 120.27 2jq6 h GLU 75 Ca 0.23 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2jq6 h GLU 75 Cb 0.27 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2jq6 h GLU 75 CO -0.26 0.15 0.00 0.00 -1.16 0.00 0.00 179.01 177.74 2jq6 h MET 76 N 0.15 0.00 0.01 2.33 -0.00 -0.96 -1.74 114.93 114.72 2jq6 h MET 76 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2jq6 h MET 76 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 2jq6 h MET 76 CO -0.01 0.00 -0.00 0.28 -0.00 0.00 0.00 176.91 177.18 2jq6 h VAL 77 N 0.00 1.58 0.00 -0.10 2.07 -0.03 -3.29 116.25 116.48 2jq6 h VAL 77 Ca 0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2jq6 h VAL 77 Cb 0.40 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2jq6 h VAL 77 CO 0.00 0.46 0.00 2.29 0.02 0.00 0.00 177.57 180.34 2jq6 n LYS 78 N -4.73 0.07 0.00 1.57 2.85 -0.14 -0.47 118.16 117.32 2jq6 n LYS 78 Ca -0.09 0.35 0.07 0.00 -1.05 0.00 0.00 58.31 57.58 2jq6 n LYS 78 Cb 0.37 -1.65 0.32 0.00 -0.65 0.00 0.00 35.03 33.42 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 -1.79 0.00 -2.61 -5.58 2.88 -0.69 -4.91 113.62 100.91 2jq6 n SER 79 Ca 0.03 0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.87 2jq6 n SER 79 Cb 0.17 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.41 -1.02 -4.27 -1.46 5.02 0.38 -5.06 118.16 110.35 2jq6 n LYS 80 Ca 0.05 1.12 -0.16 0.00 -2.02 0.00 0.00 58.31 57.30 2jq6 n LYS 80 Cb 0.14 -4.50 -0.10 0.00 -0.02 0.00 0.00 35.03 30.54 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 -3.58 2.51 0.78 -0.35 1.43 -1.25 -5.12 118.68 113.10 2jq6 s LEU 81 Ca 0.05 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 2jq6 s LEU 81 Cb -0.01 -0.46 0.06 0.00 0.03 0.00 0.00 46.19 45.82 2jq6 s LEU 81 CO 0.52 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.78 2jq6 s PRO 82 N -3.51 2.23 0.52 1.29 0.04 -1.26 -4.87 135.00 129.44 2jq6 s PRO 82 Ca 0.16 0.65 0.25 0.00 0.04 0.00 0.00 61.00 62.10 2jq6 s PRO 82 Cb 0.00 -1.93 1.41 0.00 0.04 0.00 0.00 34.50 34.02 2jq6 s PRO 82 CO 0.02 -1.52 2.08 -0.91 0.04 0.00 0.00 177.00 176.72 2jq6 h ASN 83 N -1.01 0.00 0.37 6.66 -0.26 -1.99 -1.21 115.58 118.13 2jq6 h ASN 83 Ca -0.47 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.26 2jq6 h ASN 83 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 2jq6 h ASN 83 CO 0.60 0.12 -0.18 0.74 -1.06 0.00 0.00 177.43 177.64 2jq6 h THR 84 N 0.00 0.64 -0.29 2.81 2.02 -1.99 0.14 112.91 116.24 2jq6 h THR 84 Ca -0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2jq6 h THR 84 Cb 0.29 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2jq6 h THR 84 CO 0.02 0.03 0.10 0.58 0.37 0.00 0.00 175.52 176.62 2jq6 h VAL 85 N -0.59 1.19 -0.09 3.16 2.07 -1.82 -2.02 116.25 118.16 2jq6 h VAL 85 Ca -0.05 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2jq6 h VAL 85 Cb 0.43 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2jq6 h VAL 85 CO 0.08 0.21 -0.21 -0.07 0.02 0.00 0.00 177.57 177.60 2jq6 h LEU 86 N 0.32 -0.64 -1.43 2.57 4.07 -1.21 0.28 115.31 119.26 2jq6 h LEU 86 Ca 0.10 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 2jq6 h LEU 86 Cb 0.22 0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 2jq6 h LEU 86 CO -0.00 -0.26 0.27 1.23 -1.08 0.00 0.00 178.44 178.59 2jq6 h GLY 87 N -0.29 0.70 1.07 0.83 0.00 -0.59 -0.49 103.07 104.30 2jq6 h GLY 87 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2jq6 h GLY 87 CO -0.26 0.28 -1.00 0.07 0.00 0.00 0.00 176.54 175.63 2jq6 h LYS 88 N 0.66 0.00 -0.27 4.80 2.10 -0.92 -2.16 116.57 120.78 2jq6 h LYS 88 Ca 0.17 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.72 2jq6 h LYS 88 Cb 0.01 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jq6 h LYS 88 CO -0.03 0.05 -0.22 0.82 -2.00 0.00 0.00 179.45 178.07 2jq6 h ILE 89 N 0.00 1.31 0.40 0.07 2.04 -0.05 -1.64 117.51 119.64 2jq6 h ILE 89 Ca -0.03 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2jq6 h ILE 89 Cb 1.10 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2jq6 h ILE 89 CO 0.01 0.43 -0.26 -0.25 0.00 0.00 0.00 178.15 178.09 2jq6 h TRP 90 N 0.35 -0.67 0.00 1.37 2.91 -1.10 0.94 115.95 119.75 2jq6 h TRP 90 Ca 0.05 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2jq6 h TRP 90 Cb 0.77 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 2jq6 h TRP 90 CO 0.07 -0.39 0.00 1.57 -1.03 0.00 0.00 178.44 178.66 2jq6 h LYS 91 N -0.63 0.00 0.00 2.65 2.10 -1.44 -0.45 116.57 118.80 2jq6 h LYS 91 Ca -0.04 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 2jq6 h LYS 91 Cb 0.53 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.83 2jq6 h LYS 91 CO 0.04 0.00 -1.70 -0.11 -2.00 0.00 0.00 179.45 175.67 2jq6 n LEU 92 N -2.39 0.50 0.09 7.07 7.94 -0.62 -4.37 117.00 125.22 2jq6 n LEU 92 Ca 0.02 0.22 -0.22 0.00 -1.11 0.00 0.00 56.01 54.92 2jq6 n LEU 92 Cb 0.27 0.13 -0.15 0.00 0.53 0.00 0.00 43.42 44.21 2jq6 n LEU 92 CO 0.22 0.16 -0.09 0.00 -1.11 0.00 0.00 177.39 176.57 2jq6 h ALA 93 N 1.51 -0.11 -2.72 1.96 0.00 -0.01 -3.42 119.26 116.46 2jq6 h ALA 93 Ca -0.19 -0.78 -0.68 0.00 0.00 0.00 0.00 54.91 53.25 2jq6 h ALA 93 Cb 1.55 0.15 -0.20 0.00 0.00 0.00 0.00 17.79 19.29 2jq6 h ALA 93 CO 0.03 0.53 -0.49 0.34 0.00 0.00 0.00 179.25 179.66 2jq6 s ASP 94 N -7.23 5.96 0.42 0.00 -1.08 -0.25 -4.65 116.67 109.84 2jq6 s ASP 94 Ca -0.12 -0.52 0.23 0.00 -0.52 0.00 0.00 52.55 51.62 2jq6 s ASP 94 Cb 0.02 -2.11 0.68 0.00 -1.46 0.00 0.00 42.92 40.05 2jq6 s ASP 94 CO 0.88 -0.26 1.72 0.58 0.52 0.00 0.00 175.17 178.61 2jq6 h VAL 95 N 5.56 0.46 0.00 1.11 2.07 -1.82 -3.29 116.25 120.35 2jq6 h VAL 95 Ca -0.31 -1.28 -0.16 0.00 0.82 0.00 0.00 66.70 65.78 2jq6 h VAL 95 Cb 1.15 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2jq6 h VAL 95 CO 0.64 0.22 -1.98 -0.90 0.02 0.00 0.00 177.57 175.57 2jq6 n ASP 96 N -3.27 0.96 -2.95 0.57 5.75 -1.26 -5.05 116.55 111.31 2jq6 n ASP 96 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.78 2jq6 n ASP 96 Cb 0.50 1.32 0.00 0.00 -1.03 0.00 0.00 41.12 41.91 2jq6 n ASP 96 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jq6 n LYS 97 N -2.38 -1.43 -0.03 0.11 5.02 -1.24 -4.96 118.16 113.25 2jq6 n LYS 97 Ca -0.16 1.56 0.06 0.00 -2.02 0.00 0.00 58.31 57.74 2jq6 n LYS 97 Cb 0.77 -5.56 -0.15 0.00 -0.02 0.00 0.00 35.03 30.07 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 -1.49 0.42 0.00 4.39 5.68 -1.26 -4.98 116.55 119.31 2jq6 n ASP 98 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2jq6 n ASP 98 Cb 0.49 1.70 0.00 0.00 -1.14 0.00 0.00 41.12 42.17 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 1.47 1.18 3.50 6.12 0.00 -1.26 -5.09 105.19 111.10 2jq6 n GLY 99 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 1.00 -0.13 0.99 0.05 -1.26 -2.20 118.68 117.14 2jq6 s LEU 100 Ca 0.00 -1.49 -0.05 0.00 0.05 0.00 0.00 54.13 52.64 2jq6 s LEU 100 Cb 0.00 1.50 0.06 0.00 -2.05 0.00 0.00 46.19 45.70 2jq6 s LEU 100 CO 0.00 -1.31 0.26 -0.76 -0.55 0.00 0.00 176.35 173.99 2jq6 s LEU 101 N -3.24 -0.14 0.00 1.48 1.43 -0.43 -4.72 118.68 113.07 2jq6 s LEU 101 Ca 0.30 0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 53.92 2jq6 s LEU 101 Cb -0.01 0.73 0.11 0.00 0.03 0.00 0.00 46.19 47.06 2jq6 s LEU 101 CO 0.20 -0.22 0.48 -0.90 0.23 0.00 0.00 176.35 176.15 2jq6 n ASP 102 N 5.07 -0.82 -0.00 2.29 5.75 -1.26 -0.43 116.55 127.14 2jq6 n ASP 102 Ca -0.11 -0.95 0.04 0.00 -0.01 0.00 0.00 54.79 53.76 2jq6 n ASP 102 Cb 0.51 -0.41 0.43 0.00 -1.03 0.00 0.00 41.12 40.61 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 -1.28 0.47 0.49 -1.12 3.04 -1.96 0.32 116.42 116.37 2jq6 h ASP 103 Ca -0.17 -0.01 -0.30 0.00 -3.24 0.00 0.00 57.03 53.31 2jq6 h ASP 103 Cb 0.50 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 38.65 2jq6 h ASP 103 CO 0.11 0.34 -1.58 -0.08 -2.04 0.00 0.00 179.24 175.99 2jq6 h GLU 104 N 0.55 0.15 -0.80 4.15 4.81 -1.94 -2.30 114.58 119.20 2jq6 h GLU 104 Ca 0.16 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2jq6 h GLU 104 Cb -0.04 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 2jq6 h GLU 104 CO -0.03 0.93 0.39 0.93 -0.73 0.00 0.00 179.01 180.49 2jq6 h GLU 105 N 0.04 1.14 -0.53 1.92 5.08 -1.74 -0.59 114.58 119.90 2jq6 h GLU 105 Ca -0.25 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2jq6 h GLU 105 Cb 1.99 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2jq6 h GLU 105 CO 0.12 0.88 0.23 0.35 -1.00 0.00 0.00 179.01 179.59 2jq6 h PHE 106 N 1.14 0.79 -0.60 4.33 3.04 -0.43 0.04 116.94 125.23 2jq6 h PHE 106 Ca 0.28 -0.05 0.12 0.00 3.98 0.00 0.00 57.97 62.30 2jq6 h PHE 106 Cb 0.11 -0.24 -0.09 0.00 2.56 0.00 0.00 35.95 38.28 2jq6 h PHE 106 CO 0.01 0.63 0.07 0.00 -2.02 0.00 0.00 178.31 177.01 2jq6 h ALA 107 N 1.07 0.66 0.05 2.41 0.00 -0.71 0.18 119.26 122.92 2jq6 h ALA 107 Ca 0.18 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jq6 h ALA 107 Cb 0.16 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jq6 h ALA 107 CO -0.02 -0.35 -0.02 1.25 0.00 0.00 0.00 179.25 180.11 2jq6 h LEU 108 N 0.19 -0.06 -0.15 0.00 6.46 -0.85 -1.92 115.31 118.97 2jq6 h LEU 108 Ca 0.32 -0.31 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2jq6 h LEU 108 Cb 0.50 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.37 2jq6 h LEU 108 CO -0.46 0.29 -0.43 0.00 -0.62 0.00 0.00 178.44 177.22 2jq6 h ALA 109 N 0.51 -0.59 0.00 1.25 0.00 -0.16 0.10 119.26 120.38 2jq6 h ALA 109 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jq6 h ALA 109 Cb 0.37 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2jq6 h ALA 109 CO 0.01 -0.93 -0.30 -0.97 0.00 0.00 0.00 179.25 177.06 2jq6 h ASN 110 N -0.48 0.00 -0.35 0.00 -0.00 -0.76 -1.46 115.58 112.53 2jq6 h ASN 110 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.28 2jq6 h ASN 110 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.94 2jq6 h ASN 110 CO -0.41 0.30 -0.15 -0.74 -0.00 0.00 0.00 177.43 176.44 2jq6 h HIS 111 N 0.00 0.82 -0.35 0.67 2.76 -0.47 -0.88 115.15 117.70 2jq6 h HIS 111 Ca -0.00 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 57.92 2jq6 h HIS 111 Cb 0.57 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 2jq6 h HIS 111 CO 0.00 0.91 0.00 -0.07 -1.30 0.00 0.00 177.93 177.47 2jq6 h LEU 112 N 0.50 0.51 -0.13 0.26 3.38 -0.25 0.32 115.31 119.90 2jq6 h LEU 112 Ca 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jq6 h LEU 112 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jq6 h LEU 112 CO 0.05 0.58 0.07 0.40 0.09 0.00 0.00 178.44 179.63 2jq6 h ILE 113 N 0.53 1.08 0.00 1.22 2.04 -0.93 -1.42 117.51 120.02 2jq6 h ILE 113 Ca 0.11 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2jq6 h ILE 113 Cb 0.34 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2jq6 h ILE 113 CO 0.01 0.08 -0.08 0.07 0.00 0.00 0.00 178.15 178.23 2jq6 h LYS 114 N 0.12 0.00 -0.20 2.37 2.10 -0.72 -0.39 116.57 119.86 2jq6 h LYS 114 Ca 0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2jq6 h LYS 114 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2jq6 h LYS 114 CO -0.01 0.08 0.12 0.28 -2.00 0.00 0.00 179.45 177.93 2jq6 h VAL 115 N 0.00 1.07 -0.01 0.07 2.07 0.13 -0.74 116.25 118.85 2jq6 h VAL 115 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2jq6 h VAL 115 Cb 0.69 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2jq6 h VAL 115 CO 0.01 0.07 -0.03 2.29 0.02 0.00 0.00 177.57 179.93 2jq6 n LYS 116 N -4.93 1.17 0.15 1.57 2.85 -0.58 -2.33 118.16 116.06 2jq6 n LYS 116 Ca -0.03 -0.42 0.12 0.00 -1.05 0.00 0.00 58.31 56.92 2jq6 n LYS 116 Cb 0.04 -1.49 0.08 0.00 -0.65 0.00 0.00 35.03 33.01 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 1.03 0.00 -1.19 -5.58 5.85 -0.37 -3.14 115.31 111.91 2jq6 h LEU 117 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jq6 h LEU 117 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2jq6 h LEU 117 CO 0.00 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 177.77 2jq6 h GLU 118 N 0.00 0.00 0.00 1.25 5.08 -0.75 -3.46 114.58 116.70 2jq6 h GLU 118 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jq6 h GLU 118 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jq6 h GLU 118 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2jq6 n GLY 119 N -0.26 2.47 3.86 -3.84 0.00 -1.19 -5.08 105.19 101.15 2jq6 n GLY 119 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.20 3.60 0.81 1.61 -3.43 -1.26 -5.03 115.29 109.38 2jq6 s HIS 120 Ca 0.00 0.57 -0.11 0.00 -0.80 0.00 0.00 55.06 54.72 2jq6 s HIS 120 Cb 0.00 -2.01 0.08 0.00 -1.43 0.00 0.00 32.58 29.22 2jq6 s HIS 120 CO 0.00 0.68 1.09 -1.83 -2.00 0.00 0.00 174.74 172.68 2jq6 s GLU 121 N -0.88 1.99 0.32 -0.38 -1.05 -1.26 -3.52 118.70 113.92 2jq6 s GLU 121 Ca 0.15 0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 55.45 2jq6 s GLU 121 Cb -0.12 -1.90 -0.09 0.00 -0.44 0.00 0.00 34.13 31.57 2jq6 s GLU 121 CO 0.05 -1.72 1.12 -0.51 0.95 0.00 0.00 175.26 175.15 2jq6 s LEU 122 N -5.87 4.41 0.00 1.83 1.02 -1.26 -4.90 118.68 113.91 2jq6 s LEU 122 Ca 0.61 2.28 0.29 0.00 0.02 0.00 0.00 54.13 57.32 2jq6 s LEU 122 Cb -0.15 -3.79 1.16 0.00 0.02 0.00 0.00 46.19 43.43 2jq6 s LEU 122 CO 0.55 -0.32 1.81 -0.81 0.02 0.00 0.00 176.35 177.60 2jq6 n PRO 123 N 0.76 1.57 -2.21 1.29 -0.04 -1.26 -4.91 135.00 130.21 2jq6 n PRO 123 Ca 0.01 -0.84 -0.20 0.00 -0.04 0.00 0.00 63.50 62.43 2jq6 n PRO 123 Cb 0.46 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.02 -0.53 -3.64 0.55 0.00 -1.26 -4.98 120.51 110.67 2jq6 n ALA 124 Ca 0.20 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 2jq6 n ALA 124 Cb 0.32 -2.11 -0.17 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.24 1.76 -0.47 0.00 2.15 -1.26 -5.10 116.67 111.50 2jq6 s ASP 125 Ca 0.00 -0.26 -0.12 0.00 0.43 0.00 0.00 52.55 52.59 2jq6 s ASP 125 Cb 0.00 -0.75 0.09 0.00 -0.30 0.00 0.00 42.92 41.96 2jq6 s ASP 125 CO 0.00 -0.04 0.36 -0.22 -0.17 0.00 0.00 175.17 175.11 2jq6 s LEU 126 N 1.07 5.59 0.56 -1.34 1.98 -1.26 -5.08 118.68 120.21 2jq6 s LEU 126 Ca -0.07 -1.57 -0.05 0.00 -2.89 0.00 0.00 54.13 49.54 2jq6 s LEU 126 Cb -0.14 -2.10 0.00 0.00 0.66 0.00 0.00 46.19 44.61 2jq6 s LEU 126 CO -0.01 -0.66 0.86 -2.16 -1.89 0.00 0.00 176.35 172.49 2jq6 s PRO 127 N 1.51 2.98 0.58 0.98 0.05 -1.26 -4.95 135.00 134.89 2jq6 s PRO 127 Ca 0.04 -0.06 0.28 0.00 0.05 0.00 0.00 61.00 61.30 2jq6 s PRO 127 Cb -0.25 -2.32 1.58 0.00 0.05 0.00 0.00 34.50 33.55 2jq6 s PRO 127 CO 0.03 -0.60 2.06 -1.00 0.05 0.00 0.00 177.00 177.54 2jq6 h PRO 128 N -0.06 0.00 -0.91 0.56 0.13 -1.98 -0.14 132.00 129.60 2jq6 h PRO 128 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2jq6 h PRO 128 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2jq6 h PRO 128 CO 0.60 0.00 0.07 -2.39 -0.23 0.00 0.00 178.00 176.06 2jq6 n HIS 129 N -3.90 0.80 -1.72 1.56 1.44 -1.26 -3.35 115.22 108.78 2jq6 n HIS 129 Ca 0.03 -0.48 0.00 0.00 -2.01 0.00 0.00 57.72 55.26 2jq6 n HIS 129 Cb 0.40 -0.32 0.00 0.00 0.12 0.00 0.00 29.99 30.19 2jq6 n HIS 129 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2jq6 n LEU 130 N 0.12 0.00 -4.59 2.39 4.32 -0.07 -4.17 117.00 115.00 2jq6 n LEU 130 Ca 0.13 -0.60 -0.43 0.00 -0.02 0.00 0.00 56.01 55.09 2jq6 n LEU 130 Cb 0.67 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.44 2jq6 n LEU 130 CO 0.14 0.41 0.87 0.54 -1.22 0.00 0.00 177.39 178.13 2jq6 s VAL 131 N 0.00 4.40 0.01 4.08 0.11 -1.18 -4.90 120.40 122.92 2jq6 s VAL 131 Ca 0.00 1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.82 2jq6 s VAL 131 Cb 0.00 -4.48 -0.08 0.00 -1.53 0.00 0.00 36.38 30.30 2jq6 s VAL 131 CO 0.00 -0.82 1.80 -2.16 -3.33 0.00 0.00 175.10 170.59 2jq6 s PRO 132 N 3.95 4.16 0.00 1.54 0.04 -1.26 -4.86 135.00 138.58 2jq6 s PRO 132 Ca 0.42 2.41 0.02 0.00 0.04 0.00 0.00 61.00 63.89 2jq6 s PRO 132 Cb -0.09 -3.99 0.15 0.00 0.04 0.00 0.00 34.50 30.60 2jq6 s PRO 132 CO 0.26 -0.88 0.62 -2.30 0.04 0.00 0.00 177.00 174.74 2jq6 n PRO 133 N 7.04 0.08 0.09 0.56 -0.02 -1.26 -1.93 135.00 139.56 2jq6 n PRO 133 Ca 0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2jq6 n PRO 133 Cb 0.41 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.29 2jq6 n PRO 133 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jq6 h SER 134 N 0.00 0.34 -0.05 2.55 0.87 -1.96 -3.35 113.55 111.95 2jq6 h SER 134 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2jq6 h SER 134 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2jq6 h SER 134 CO 0.00 1.25 0.00 2.29 -0.53 0.00 0.00 176.83 179.84 2jq6 n LYS 135 N -3.53 1.52 -1.66 2.24 -0.00 -0.81 -4.53 118.16 111.39 2jq6 n LYS 135 Ca -0.06 -0.76 -0.42 0.00 -0.00 0.00 0.00 58.31 57.07 2jq6 n LYS 135 Cb 0.98 -1.44 -0.01 0.00 -0.00 0.00 0.00 35.03 34.56 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 -0.06 2.84 -3.74 -1.58 1.85 -1.26 -4.81 116.66 109.90 2jq6 n ARG 136 Ca 0.19 -2.52 -0.28 0.00 -1.00 0.00 0.00 57.85 54.23 2jq6 n ARG 136 Cb 0.28 -3.23 -0.16 0.00 -1.05 0.00 0.00 32.46 28.30 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 3.22 0.71 -0.09 2.89 1.70 -1.26 -5.12 118.95 121.00 2jq6 s ARG 137 Ca 0.49 -0.58 -0.02 0.00 -0.47 0.00 0.00 55.73 55.15 2jq6 s ARG 137 Cb 0.14 -2.08 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 2jq6 s ARG 137 CO -0.08 -0.72 0.00 -1.01 -1.08 0.00 0.00 175.30 172.42 2jq6 s HIS 138 N 1.80 3.16 0.00 5.89 3.76 -1.26 -5.23 115.29 123.40 2jq6 s HIS 138 Ca 0.01 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2jq6 s HIS 138 Cb -0.17 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2jq6 s HIS 138 CO -0.12 0.47 0.00 -1.91 -0.85 0.00 0.00 174.74 172.33