#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 -5.69 1.61 0.13 -2.08 -3.43 132.00 122.54 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 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 2jq6 h PRO 2 CO 0.00 0.00 -0.65 -1.17 -0.23 0.00 0.00 178.00 175.95 2jq6 s LEU 3 N -5.62 3.36 0.00 1.56 2.96 -1.26 -4.42 118.68 115.25 2jq6 s LEU 3 Ca 0.04 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2jq6 s LEU 3 Cb 0.09 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 45.00 2jq6 s LEU 3 CO 0.54 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 176.45 2jq6 n GLY 4 N 2.83 1.45 3.72 7.98 0.00 -1.26 -5.06 105.19 114.84 2jq6 n GLY 4 Ca -0.18 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2jq6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jq6 s SER 5 N -2.32 7.28 -0.12 1.61 1.04 -1.26 -4.92 113.70 115.01 2jq6 s SER 5 Ca 0.00 1.55 -0.15 0.00 0.48 0.00 0.00 55.95 57.83 2jq6 s SER 5 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 2jq6 s SER 5 CO 0.00 -0.18 0.36 -1.83 0.98 0.00 0.00 173.24 172.56 2jq6 s GLU 6 N 0.77 4.20 -0.75 4.02 -1.05 -1.26 -5.03 118.70 119.60 2jq6 s GLU 6 Ca 0.47 0.23 -0.26 0.00 -0.15 0.00 0.00 54.97 55.27 2jq6 s GLU 6 Cb -0.20 -3.39 0.04 0.00 -0.44 0.00 0.00 34.13 30.14 2jq6 s GLU 6 CO 0.25 0.30 1.23 0.45 0.95 0.00 0.00 175.26 178.45 2jq6 s SER 7 N 0.23 6.20 -0.82 0.83 0.15 -1.26 -4.96 113.70 114.08 2jq6 s SER 7 Ca 0.20 -0.68 -0.24 0.00 0.70 0.00 0.00 55.95 55.94 2jq6 s SER 7 Cb -0.14 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 2jq6 s SER 7 CO 0.07 -1.72 1.22 -0.76 1.20 0.00 0.00 173.24 173.25 2jq6 s LEU 8 N 5.28 3.86 0.05 3.45 1.43 -1.26 -5.00 118.68 126.49 2jq6 s LEU 8 Ca 0.33 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.07 2jq6 s LEU 8 Cb -0.09 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 2jq6 s LEU 8 CO 0.11 -1.53 0.85 -0.04 0.23 0.00 0.00 176.35 175.97 2jq6 s MET 9 N 4.63 4.56 0.50 1.70 -1.94 -1.26 -4.95 119.30 122.55 2jq6 s MET 9 Ca 0.34 1.22 0.21 0.00 -1.71 0.00 0.00 55.69 55.74 2jq6 s MET 9 Cb -0.08 -3.39 1.30 0.00 2.01 0.00 0.00 34.83 34.68 2jq6 s MET 9 CO 0.04 0.20 2.08 -1.35 -0.01 0.00 0.00 175.02 175.98 2jq6 h PRO 10 N 5.86 0.00 -5.67 2.03 0.11 -2.06 -3.37 132.00 128.91 2jq6 h PRO 10 Ca -0.43 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.04 2jq6 h PRO 10 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 2jq6 h PRO 10 CO 0.72 0.11 1.22 -1.54 -0.21 0.00 0.00 178.00 178.29 2jq6 s SER 11 N -6.65 6.55 -0.58 -2.05 1.04 -1.26 -4.89 113.70 105.86 2jq6 s SER 11 Ca -0.04 -1.68 0.04 0.00 0.48 0.00 0.00 55.95 54.75 2jq6 s SER 11 Cb 0.15 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.93 2jq6 s SER 11 CO 0.64 -1.33 0.38 -1.10 0.98 0.00 0.00 173.24 172.80 2jq6 s GLN 12 N 4.04 1.92 -0.04 4.02 -0.21 -1.26 -5.10 119.66 123.04 2jq6 s GLN 12 Ca 0.40 -2.77 -0.24 0.00 0.02 0.00 0.00 55.36 52.77 2jq6 s GLN 12 Cb -0.02 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 2jq6 s GLN 12 CO -0.09 -1.24 0.73 0.54 -2.12 0.00 0.00 175.29 173.11 2jq6 s VAL 13 N -0.66 4.98 -0.06 1.09 0.11 -1.26 -5.06 120.40 119.55 2jq6 s VAL 13 Ca 0.23 1.52 0.05 0.00 -2.93 0.00 0.00 61.98 60.85 2jq6 s VAL 13 Cb -0.12 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.66 2jq6 s VAL 13 CO -0.10 0.27 -0.22 0.68 -3.33 0.00 0.00 175.10 172.39 2jq6 s VAL 14 N 0.66 1.82 -0.69 2.04 -7.23 -1.26 -5.08 120.40 110.66 2jq6 s VAL 14 Ca 0.39 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2jq6 s VAL 14 Cb -0.18 -1.55 0.17 0.00 0.56 0.00 0.00 36.38 35.38 2jq6 s VAL 14 CO 0.20 0.51 0.49 -0.54 -0.31 0.00 0.00 175.10 175.45 2jq6 s LYS 15 N -0.02 2.58 -0.57 4.82 1.02 -1.26 -5.05 119.74 121.26 2jq6 s LYS 15 Ca -0.06 -2.93 -0.28 0.00 0.02 0.00 0.00 55.97 52.73 2jq6 s LYS 15 Cb -0.14 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2jq6 s LYS 15 CO 0.04 -1.21 1.30 0.20 -0.92 0.00 0.00 175.35 174.76 2jq6 s GLY 16 N -0.25 1.02 -0.56 -3.33 0.00 -1.26 -3.18 107.32 99.76 2jq6 s GLY 16 Ca 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2jq6 s GLY 16 CO -0.08 2.65 0.00 0.61 0.00 0.00 0.00 173.10 176.28 2jq6 n GLY 17 N 5.16 0.45 2.90 0.20 0.00 -1.26 -5.01 105.19 107.62 2jq6 n GLY 17 Ca 0.10 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.26 1.89 -0.30 4.61 0.00 -1.19 -5.09 121.76 119.42 2jq6 s ALA 18 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.53 2jq6 s ALA 18 Cb 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 23.12 21.71 2jq6 s ALA 18 CO 0.00 -1.31 -0.02 -0.06 0.00 0.00 0.00 175.76 174.37 2jq6 s PHE 19 N 1.43 3.48 -0.94 0.00 0.08 -1.26 -4.82 117.98 115.95 2jq6 s PHE 19 Ca -0.01 -2.56 -0.24 0.00 0.12 0.00 0.00 56.93 54.24 2jq6 s PHE 19 Cb -0.18 -2.41 0.01 0.00 -0.57 0.00 0.00 43.02 39.86 2jq6 s PHE 19 CO -0.09 -0.91 1.65 -0.51 -0.10 0.00 0.00 175.22 175.26 2jq6 s ASP 20 N 1.08 5.89 -1.28 1.36 1.11 -1.26 -4.89 116.67 118.68 2jq6 s ASP 20 Ca 0.00 -1.02 -0.09 0.00 0.18 0.00 0.00 52.55 51.62 2jq6 s ASP 20 Cb -0.20 -2.56 0.16 0.00 1.07 0.00 0.00 42.92 41.39 2jq6 s ASP 20 CO -0.06 -2.05 1.89 0.61 1.18 0.00 0.00 175.17 176.74 2jq6 n GLY 21 N 6.74 4.78 3.55 0.21 0.00 -1.26 -4.94 105.19 114.28 2jq6 n GLY 21 Ca 0.34 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 2jq6 n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jq6 s THR 22 N 0.41 3.68 -0.04 2.61 -4.23 -1.26 -4.95 115.64 111.85 2jq6 s THR 22 Ca 0.40 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2jq6 s THR 22 Cb 0.10 -4.78 0.02 0.00 1.34 0.00 0.00 72.50 69.17 2jq6 s THR 22 CO 0.00 -1.72 0.10 -0.32 -0.54 0.00 0.00 174.62 172.14 2jq6 s MET 23 N 5.89 0.10 0.29 3.99 1.75 -1.26 -5.16 119.30 124.90 2jq6 s MET 23 Ca 0.41 0.19 0.08 0.00 -1.25 0.00 0.00 55.69 55.12 2jq6 s MET 23 Cb -0.08 -0.02 -0.04 0.00 2.84 0.00 0.00 34.83 37.53 2jq6 s MET 23 CO 0.14 -0.06 0.15 1.21 -0.65 0.00 0.00 175.02 175.81 2jq6 s ASN 24 N 0.37 4.99 0.00 1.11 3.84 -1.26 -4.74 114.94 119.25 2jq6 s ASN 24 Ca -0.03 -0.54 0.00 0.00 0.21 0.00 0.00 52.86 52.50 2jq6 s ASN 24 Cb -0.04 -1.00 0.00 0.00 -0.55 0.00 0.00 41.25 39.66 2jq6 s ASN 24 CO -0.01 -0.15 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 2jq6 n GLY 25 N -1.13 1.26 0.63 1.21 0.00 -1.26 -4.90 105.19 101.00 2jq6 n GLY 25 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 1.46 -3.10 1.61 -0.02 -1.26 -4.81 135.00 128.87 2jq6 n PRO 26 Ca 0.00 -0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 60.68 2jq6 n PRO 26 Cb 0.00 -1.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2jq6 n PRO 26 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2jq6 s PHE 27 N -1.28 3.12 -0.92 6.00 5.36 -1.26 -4.96 117.98 124.03 2jq6 s PHE 27 Ca 0.07 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.27 2jq6 s PHE 27 Cb 0.05 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2jq6 s PHE 27 CO 0.02 -0.71 0.00 0.41 -1.46 0.00 0.00 175.22 173.48 2jq6 n GLY 28 N 4.78 -1.41 3.64 13.12 0.00 -1.26 -5.13 105.19 118.94 2jq6 n GLY 28 Ca -0.01 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 2jq6 n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jq6 s HIS 29 N -2.12 3.28 -2.15 1.61 -3.43 -1.26 -5.00 115.29 106.23 2jq6 s HIS 29 Ca 0.00 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 2jq6 s HIS 29 Cb 0.00 -2.31 0.00 0.00 -1.43 0.00 0.00 32.58 28.84 2jq6 s HIS 29 CO 0.00 -0.01 0.00 0.41 -2.00 0.00 0.00 174.74 173.14 2jq6 n GLY 30 N 4.54 -1.44 3.70 -1.38 0.00 -1.26 -5.12 105.19 104.23 2jq6 n GLY 30 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2jq6 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jq6 s TYR 31 N -2.76 3.13 0.64 1.61 2.02 -1.26 -5.01 117.35 115.73 2jq6 s TYR 31 Ca 0.00 1.02 -0.13 0.00 -0.37 0.00 0.00 57.07 57.59 2jq6 s TYR 31 Cb 0.00 -3.57 -0.01 0.00 -0.40 0.00 0.00 41.96 37.97 2jq6 s TYR 31 CO 0.00 -1.99 1.06 0.20 -1.57 0.00 0.00 175.55 173.25 2jq6 s GLY 32 N 1.45 1.91 0.19 0.71 0.00 -1.26 -4.99 107.32 105.32 2jq6 s GLY 32 Ca 0.62 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 45.29 2jq6 s GLY 32 CO 0.27 0.57 1.28 -0.54 0.00 0.00 0.00 173.10 174.68 2jq6 s GLU 33 N -4.53 4.41 0.31 2.90 8.01 -1.26 -5.00 118.70 123.54 2jq6 s GLU 33 Ca 0.61 2.00 -0.28 0.00 0.01 0.00 0.00 54.97 57.31 2jq6 s GLU 33 Cb -0.15 -3.21 -0.09 0.00 -4.31 0.00 0.00 34.13 26.36 2jq6 s GLU 33 CO 0.45 -0.22 1.10 0.20 0.01 0.00 0.00 175.26 176.80 2jq6 s GLY 34 N 0.35 2.98 -0.01 -1.39 0.00 -1.26 -4.93 107.32 103.07 2jq6 s GLY 34 Ca 0.56 0.87 -0.37 0.00 0.00 0.00 0.00 44.72 45.78 2jq6 s GLY 34 CO 0.37 1.43 1.46 0.00 0.00 0.00 0.00 173.10 176.37 2jq6 n ALA 35 N 0.84 -0.65 -2.45 3.20 0.00 -1.26 -4.96 120.51 115.22 2jq6 n ALA 35 Ca 0.01 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 2jq6 n ALA 35 Cb 0.46 -2.13 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 2jq6 n ALA 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jq6 s GLY 36 N 1.36 1.48 0.39 0.00 0.00 -1.26 -5.12 107.32 104.17 2jq6 s GLY 36 Ca 0.88 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 2jq6 s GLY 36 CO 0.51 -0.80 0.77 1.85 0.00 0.00 0.00 173.10 175.43 2jq6 s GLU 37 N -0.70 3.81 -1.22 2.90 2.56 -1.26 -4.95 118.70 119.84 2jq6 s GLU 37 Ca 0.11 0.51 -0.17 0.00 0.00 0.00 0.00 54.97 55.41 2jq6 s GLU 37 Cb -0.10 -2.39 -0.02 0.00 2.00 0.00 0.00 34.13 33.61 2jq6 s GLU 37 CO 0.00 -0.01 2.07 0.41 -0.56 0.00 0.00 175.26 177.17 2jq6 n GLY 38 N -1.16 3.48 3.72 -1.50 0.00 -1.26 -4.93 105.19 103.54 2jq6 n GLY 38 Ca 0.03 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 4.28 2.26 -1.23 -0.61 -4.36 -1.26 -4.85 121.20 115.43 2jq6 s ILE 39 Ca 0.52 0.13 -0.19 0.00 -0.26 0.00 0.00 60.65 60.85 2jq6 s ILE 39 Cb 0.12 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 2jq6 s ILE 39 CO 0.00 -0.06 1.88 -0.90 0.24 0.00 0.00 174.94 176.11 2jq6 n ASP 40 N -2.57 3.96 -4.58 4.36 5.75 -1.26 -4.90 116.55 117.32 2jq6 n ASP 40 Ca 0.14 -2.81 -0.41 0.00 -0.01 0.00 0.00 54.79 51.70 2jq6 n ASP 40 Cb 0.50 -1.67 -0.03 0.00 -1.03 0.00 0.00 41.12 38.89 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 4.88 5.34 -0.26 -1.12 2.15 -1.26 -4.95 116.67 121.45 2jq6 s ASP 41 Ca 0.58 1.20 0.01 0.00 0.43 0.00 0.00 52.55 54.78 2jq6 s ASP 41 Cb 0.05 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.20 2jq6 s ASP 41 CO 0.08 -2.16 -0.09 0.54 -0.17 0.00 0.00 175.17 173.37 2jq6 s VAL 42 N 8.85 2.44 -0.23 1.11 0.11 -1.26 -4.99 120.40 126.42 2jq6 s VAL 42 Ca 0.86 -1.42 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 2jq6 s VAL 42 Cb -0.22 -2.35 0.12 0.00 -1.53 0.00 0.00 36.38 32.39 2jq6 s VAL 42 CO 0.30 0.05 0.29 -0.70 -3.33 0.00 0.00 175.10 171.71 2jq6 s GLU 43 N 1.19 0.27 -0.04 1.54 2.12 -1.26 -5.14 118.70 117.38 2jq6 s GLU 43 Ca -0.05 0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.58 2jq6 s GLU 43 Cb -0.19 -0.85 -0.02 0.00 0.26 0.00 0.00 34.13 33.33 2jq6 s GLU 43 CO -0.05 -0.72 -0.20 -0.46 -0.54 0.00 0.00 175.26 173.29 2jq6 s TRP 44 N 2.41 2.53 0.59 5.30 -0.00 -1.26 -4.80 118.94 123.72 2jq6 s TRP 44 Ca 0.09 -0.28 0.29 0.00 -0.00 0.00 0.00 56.10 56.19 2jq6 s TRP 44 Cb -0.15 -1.57 1.53 0.00 -0.00 0.00 0.00 33.47 33.28 2jq6 s TRP 44 CO -0.17 0.08 1.97 0.28 -0.00 0.00 0.00 176.95 179.11 2jq6 h VAL 45 N 4.41 0.41 0.00 5.86 2.07 -2.00 -2.28 116.25 124.72 2jq6 h VAL 45 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2jq6 h VAL 45 Cb 1.14 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2jq6 h VAL 45 CO 0.49 0.00 0.00 0.55 0.02 0.00 0.00 177.57 178.63 2jq6 n VAL 46 N -3.76 1.18 0.58 2.57 3.14 -1.26 -0.70 118.33 120.07 2jq6 n VAL 46 Ca 0.06 0.54 0.06 0.00 -2.96 0.00 0.00 64.34 62.03 2jq6 n VAL 46 Cb 0.55 -1.50 0.30 0.00 -1.06 0.00 0.00 33.84 32.13 2jq6 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jq6 n GLY 47 N -0.94 -0.60 0.06 7.55 0.00 -0.86 -0.51 105.19 109.89 2jq6 n GLY 47 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.23 1.39 -0.01 1.61 2.85 0.12 -4.59 118.16 118.30 2jq6 n LYS 48 Ca 0.06 -0.03 0.03 0.00 -1.05 0.00 0.00 58.31 57.32 2jq6 n LYS 48 Cb 0.08 -1.38 0.04 0.00 -0.65 0.00 0.00 35.03 33.11 2jq6 n LYS 48 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2jq6 n ASP 49 N -2.47 1.68 -0.16 -5.58 5.75 -1.04 -4.63 116.55 110.10 2jq6 n ASP 49 Ca -0.21 -1.37 -0.04 0.00 -0.01 0.00 0.00 54.79 53.16 2jq6 n ASP 49 Cb 0.89 -0.02 0.05 0.00 -1.03 0.00 0.00 41.12 41.01 2jq6 n ASP 49 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2jq6 h LYS 50 N 1.26 0.41 -1.17 0.11 3.64 -1.05 -2.73 116.57 117.04 2jq6 h LYS 50 Ca 0.00 -0.02 0.34 0.00 -1.27 0.00 0.00 60.65 59.69 2jq6 h LYS 50 Cb 0.32 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.95 2jq6 h LYS 50 CO 0.00 0.27 0.77 -1.00 -2.27 0.00 0.00 179.45 177.23 2jq6 h PRO 51 N 0.42 0.22 0.03 1.90 0.13 -1.85 0.31 132.00 133.17 2jq6 h PRO 51 Ca 0.22 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 65.10 2jq6 h PRO 51 Cb 0.18 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.27 2jq6 h PRO 51 CO -0.19 0.15 -1.02 1.15 -0.23 0.00 0.00 178.00 177.86 2jq6 h THR 52 N 0.23 1.39 0.00 1.56 2.02 -1.84 -1.66 112.91 114.61 2jq6 h THR 52 Ca 0.67 -2.50 -0.09 0.00 0.77 0.00 0.00 66.41 65.26 2jq6 h THR 52 Cb 2.02 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 70.92 2jq6 h THR 52 CO -0.28 0.75 -0.56 1.88 0.37 0.00 0.00 175.52 177.68 2jq6 h TYR 53 N 0.23 0.00 -0.03 3.16 0.05 -0.75 -2.15 116.97 117.48 2jq6 h TYR 53 Ca -0.10 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.42 2jq6 h TYR 53 Cb 1.67 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.42 2jq6 h TYR 53 CO 0.07 0.39 -0.99 0.22 -1.05 0.00 0.00 178.16 176.80 2jq6 h ASP 54 N 0.00 0.88 -0.36 3.88 1.82 -0.55 -0.63 116.42 121.46 2jq6 h ASP 54 Ca -0.02 -0.68 -0.13 0.00 -0.39 0.00 0.00 57.03 55.81 2jq6 h ASP 54 Cb 1.32 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 2jq6 h ASP 54 CO 0.05 1.48 -0.26 1.05 -1.61 0.00 0.00 179.24 179.95 2jq6 h GLU 55 N 0.41 0.87 0.00 0.28 -0.00 -1.24 -1.49 114.58 113.40 2jq6 h GLU 55 Ca -0.11 -0.38 -0.11 0.00 -0.00 0.00 0.00 59.36 58.76 2jq6 h GLU 55 Cb 1.63 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 30.34 2jq6 h GLU 55 CO 0.19 1.02 -0.51 0.82 -0.00 0.00 0.00 179.01 180.54 2jq6 h ILE 56 N 0.74 1.30 0.27 -1.06 2.04 -1.43 -1.53 117.51 117.83 2jq6 h ILE 56 Ca 0.09 -1.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 2jq6 h ILE 56 Cb 0.81 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2jq6 h ILE 56 CO 0.07 0.50 -0.24 0.15 0.00 0.00 0.00 178.15 178.62 2jq6 h PHE 57 N 0.00 -0.65 0.00 1.37 3.57 -0.37 0.36 116.94 121.23 2jq6 h PHE 57 Ca -0.01 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2jq6 h PHE 57 Cb 0.94 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2jq6 h PHE 57 CO 0.00 -0.36 -0.17 1.88 -2.23 0.00 0.00 178.31 177.43 2jq6 h TYR 58 N -0.54 0.00 -0.01 0.41 -1.99 -1.27 -2.48 116.97 111.09 2jq6 h TYR 58 Ca -0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 2jq6 h TYR 58 Cb 0.49 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 2jq6 h TYR 58 CO -0.15 0.17 -0.61 1.15 -0.00 0.00 0.00 178.16 178.72 2jq6 h THR 59 N 0.00 1.43 -0.02 -2.88 2.02 -0.55 -2.68 112.91 110.22 2jq6 h THR 59 Ca -0.00 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2jq6 h THR 59 Cb 0.70 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2jq6 h THR 59 CO 0.02 0.59 0.00 0.18 0.37 0.00 0.00 175.52 176.68 2jq6 n LEU 60 N -3.83 0.75 -2.34 2.58 4.77 0.12 -4.97 117.00 114.08 2jq6 n LEU 60 Ca -0.01 -0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 55.69 2jq6 n LEU 60 Cb 0.61 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2jq6 n LEU 60 CO 0.42 0.13 -0.29 -0.24 -1.33 0.00 0.00 177.39 176.09 2jq6 n SER 61 N -0.38 -6.10 -4.89 -1.43 2.88 -1.01 -4.98 113.62 97.70 2jq6 n SER 61 Ca 0.20 0.89 -0.29 0.00 -1.33 0.00 0.00 58.87 58.35 2jq6 n SER 61 Cb 0.22 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 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 -1.25 3.57 -0.03 -1.46 0.04 -1.24 -4.74 135.00 129.88 2jq6 s PRO 62 Ca 0.02 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.42 2jq6 s PRO 62 Cb -0.01 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2jq6 s PRO 62 CO 0.53 -0.31 0.07 0.54 0.04 0.00 0.00 177.00 177.87 2jq6 s VAL 63 N -2.86 -0.03 -1.79 -0.36 0.11 0.16 -4.79 120.40 110.85 2jq6 s VAL 63 Ca 0.50 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 2jq6 s VAL 63 Cb -0.10 -0.12 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2jq6 s VAL 63 CO 0.47 0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.88 2jq6 n ASN 64 N 3.71 -5.05 0.00 3.54 3.02 -1.26 -1.92 115.26 117.31 2jq6 n ASN 64 Ca -0.21 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2jq6 n ASN 64 Cb 0.54 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 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 -0.89 0.66 3.24 7.41 0.00 -1.26 -5.05 105.19 109.29 2jq6 n GLY 65 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2jq6 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jq6 s LYS 66 N -0.68 1.09 -0.03 1.61 3.01 -0.81 -3.57 119.74 120.37 2jq6 s LYS 66 Ca 0.00 -1.52 -0.19 0.00 -1.01 0.00 0.00 55.97 53.26 2jq6 s LYS 66 Cb 0.00 -0.30 -0.05 0.00 -1.01 0.00 0.00 37.83 36.47 2jq6 s LYS 66 CO 0.00 -0.11 0.53 0.96 0.51 0.00 0.00 175.35 177.24 2jq6 s ILE 67 N -3.63 4.99 0.14 2.17 -4.36 0.75 0.40 121.20 121.67 2jq6 s ILE 67 Ca 0.23 1.09 -0.32 0.00 -0.26 0.00 0.00 60.65 61.39 2jq6 s ILE 67 Cb 0.06 -3.86 -0.11 0.00 1.25 0.00 0.00 42.46 39.80 2jq6 s ILE 67 CO 0.03 0.44 1.79 0.35 0.24 0.00 0.00 174.94 177.79 2jq6 n THR 68 N 2.72 0.25 -0.27 8.37 -2.24 -1.26 -1.61 114.28 120.23 2jq6 n THR 68 Ca -0.08 -0.04 0.29 0.00 -2.27 0.00 0.00 64.05 61.94 2jq6 n THR 68 Cb 0.51 -2.04 0.67 0.00 -2.10 0.00 0.00 70.33 67.37 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 7.91 0.36 0.12 3.38 0.00 -1.36 0.77 103.07 114.24 2jq6 h GLY 69 Ca -0.45 -0.06 0.25 0.00 0.00 0.00 0.00 47.33 47.06 2jq6 h GLY 69 CO 0.95 -0.03 0.65 0.00 0.00 0.00 0.00 176.54 178.10 2jq6 h ALA 70 N 1.52 2.52 0.15 3.60 0.00 -1.88 0.35 119.26 125.51 2jq6 h ALA 70 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.14 2jq6 h ALA 70 Cb 1.84 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.69 2jq6 h ALA 70 CO -0.09 -0.82 -1.28 -0.91 0.00 0.00 0.00 179.25 176.15 2jq6 h ASN 71 N 0.23 0.75 0.34 0.00 2.35 -1.19 -0.63 115.58 117.42 2jq6 h ASN 71 Ca 0.49 -0.73 -0.15 0.00 -0.55 0.00 0.00 56.30 55.36 2jq6 h ASN 71 Cb 1.53 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 2jq6 h ASN 71 CO -0.13 1.55 -0.63 0.00 -1.65 0.00 0.00 177.43 176.57 2jq6 h ALA 72 N 0.36 0.79 -0.53 -0.83 0.00 -1.29 -1.85 119.26 115.92 2jq6 h ALA 72 Ca -0.18 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.09 2jq6 h ALA 72 Cb 1.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2jq6 h ALA 72 CO 0.23 0.74 0.02 0.87 0.00 0.00 0.00 179.25 181.11 2jq6 h LYS 73 N 0.20 0.88 -0.62 0.00 1.79 -0.34 -1.70 116.57 116.77 2jq6 h LYS 73 Ca -0.01 -0.24 0.06 0.00 -2.18 0.00 0.00 60.65 58.28 2jq6 h LYS 73 Cb 1.15 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 2jq6 h LYS 73 CO 0.10 0.87 0.33 -0.22 -1.08 0.00 0.00 179.45 179.44 2jq6 h LYS 74 N 0.82 0.59 0.23 3.15 1.63 -0.49 0.34 116.57 122.84 2jq6 h LYS 74 Ca 0.16 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2jq6 h LYS 74 Cb 0.47 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2jq6 h LYS 74 CO 0.02 0.39 -0.11 0.93 -3.45 0.00 0.00 179.45 177.23 2jq6 h GLU 75 N 0.61 -0.30 0.00 1.90 4.39 -0.95 -1.44 114.58 118.79 2jq6 h GLU 75 Ca 0.28 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2jq6 h GLU 75 Cb 0.20 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2jq6 h GLU 75 CO -0.19 -0.06 -0.03 0.00 -1.16 0.00 0.00 179.01 177.57 2jq6 h MET 76 N -0.51 0.00 -0.16 2.33 -0.00 -1.08 -1.46 114.93 114.04 2jq6 h MET 76 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.62 2jq6 h MET 76 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2jq6 h MET 76 CO 0.05 0.03 -0.09 0.28 -0.00 0.00 0.00 176.91 177.19 2jq6 h VAL 77 N 0.00 1.32 0.00 -0.10 2.07 -0.06 -3.13 116.25 116.35 2jq6 h VAL 77 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2jq6 h VAL 77 Cb 0.34 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2jq6 h VAL 77 CO 0.00 0.34 0.00 0.07 0.02 0.00 0.00 177.57 178.01 2jq6 h LYS 78 N 0.01 0.00 0.00 1.57 2.10 -0.23 -1.47 116.57 118.54 2jq6 h LYS 78 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2jq6 h LYS 78 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2jq6 h LYS 78 CO 0.03 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 177.93 2jq6 n SER 79 N -2.51 0.00 -2.50 7.07 2.88 -0.84 -4.89 113.62 112.83 2jq6 n SER 79 Ca 0.02 0.26 -0.02 0.00 -1.33 0.00 0.00 58.87 57.80 2jq6 n SER 79 Cb 0.26 -0.34 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.34 -0.93 -4.27 -1.46 5.02 -0.55 -5.06 118.16 109.56 2jq6 n LYS 80 Ca 0.03 1.02 -0.18 0.00 -2.02 0.00 0.00 58.31 57.17 2jq6 n LYS 80 Cb 0.07 -4.19 -0.11 0.00 -0.02 0.00 0.00 35.03 30.78 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 -3.48 2.46 0.79 -0.35 1.43 -1.26 -5.13 118.68 113.15 2jq6 s LEU 81 Ca 0.05 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 2jq6 s LEU 81 Cb -0.01 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.72 2jq6 s LEU 81 CO 0.47 -0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 2jq6 s PRO 82 N -3.10 2.16 0.50 1.29 0.04 -1.26 -4.83 135.00 129.81 2jq6 s PRO 82 Ca 0.14 0.83 0.22 0.00 0.04 0.00 0.00 61.00 62.22 2jq6 s PRO 82 Cb -0.03 -1.91 1.32 0.00 0.04 0.00 0.00 34.50 33.93 2jq6 s PRO 82 CO 0.04 -1.61 2.08 -0.91 0.04 0.00 0.00 177.00 176.63 2jq6 h ASN 83 N -1.09 0.00 -0.23 6.66 -0.26 -2.01 0.04 115.58 118.69 2jq6 h ASN 83 Ca -0.46 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.23 2jq6 h ASN 83 Cb 1.25 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.50 2jq6 h ASN 83 CO 0.57 0.11 -0.05 0.71 -1.06 0.00 0.00 177.43 177.70 2jq6 h THR 84 N 0.00 1.28 -0.38 2.81 1.35 -1.99 0.14 112.91 116.12 2jq6 h THR 84 Ca -0.00 -1.05 -0.08 0.00 -0.55 0.00 0.00 66.41 64.73 2jq6 h THR 84 Cb 0.24 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2jq6 h THR 84 CO 0.01 0.32 -0.09 0.58 -0.25 0.00 0.00 175.52 176.10 2jq6 h VAL 85 N 0.18 1.28 -0.33 6.82 2.07 -1.76 -1.58 116.25 122.92 2jq6 h VAL 85 Ca 0.06 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.48 2jq6 h VAL 85 Cb 0.51 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 2jq6 h VAL 85 CO 0.02 0.39 -0.36 -0.07 0.02 0.00 0.00 177.57 177.58 2jq6 h LEU 86 N 0.54 -1.16 0.12 2.57 -0.00 -0.93 0.21 115.31 116.66 2jq6 h LEU 86 Ca 0.10 0.19 0.01 0.00 -0.00 0.00 0.00 57.88 58.18 2jq6 h LEU 86 Cb 0.61 0.52 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 2jq6 h LEU 86 CO 0.04 -0.35 -0.19 1.23 -0.00 0.00 0.00 178.44 179.17 2jq6 h GLY 87 N -0.31 -0.36 1.89 0.83 0.00 -0.51 -0.97 103.07 103.64 2jq6 h GLY 87 Ca 0.14 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2jq6 h GLY 87 CO -0.50 -0.18 -0.10 0.07 0.00 0.00 0.00 176.54 175.83 2jq6 h LYS 88 N -0.38 0.00 -0.06 4.80 2.10 -1.13 -0.81 116.57 121.09 2jq6 h LYS 88 Ca 0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 2jq6 h LYS 88 Cb 0.39 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2jq6 h LYS 88 CO -0.10 0.00 -0.06 0.82 -2.00 0.00 0.00 179.45 178.11 2jq6 h ILE 89 N 0.00 1.37 0.04 0.07 2.04 -0.42 -1.77 117.51 118.84 2jq6 h ILE 89 Ca 0.00 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.68 2jq6 h ILE 89 Cb 0.87 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.94 2jq6 h ILE 89 CO 0.00 0.33 -0.32 -0.25 0.00 0.00 0.00 178.15 177.91 2jq6 h TRP 90 N -0.29 -0.88 -0.02 1.37 2.91 -0.97 -1.22 115.95 116.84 2jq6 h TRP 90 Ca 0.01 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 2jq6 h TRP 90 Cb 0.56 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.59 2jq6 h TRP 90 CO 0.09 -0.42 -0.21 0.87 -1.03 0.00 0.00 178.44 177.74 2jq6 h LYS 91 N -0.50 0.03 0.00 2.65 1.57 -1.21 0.67 116.57 119.78 2jq6 h LYS 91 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jq6 h LYS 91 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2jq6 h LYS 91 CO -0.24 0.24 -0.27 -0.11 -0.57 0.00 0.00 179.45 178.51 2jq6 n LEU 92 N -4.27 0.55 -0.12 2.94 7.94 -0.67 -3.99 117.00 119.38 2jq6 n LEU 92 Ca -0.02 0.36 -0.20 0.00 -1.11 0.00 0.00 56.01 55.05 2jq6 n LEU 92 Cb 0.28 -0.31 -0.10 0.00 0.53 0.00 0.00 43.42 43.82 2jq6 n LEU 92 CO 0.37 -0.06 -1.31 0.00 -1.11 0.00 0.00 177.39 175.29 2jq6 n ALA 93 N -1.69 1.45 -2.57 1.96 0.00 -0.31 -4.80 120.51 114.55 2jq6 n ALA 93 Ca 0.05 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.06 2jq6 n ALA 93 Cb 0.40 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 -6.60 6.24 0.31 0.00 2.15 0.22 -4.71 116.67 114.27 2jq6 s ASP 94 Ca -0.33 -0.70 0.13 0.00 0.43 0.00 0.00 52.55 52.08 2jq6 s ASP 94 Cb 0.10 -2.55 0.49 0.00 -0.30 0.00 0.00 42.92 40.65 2jq6 s ASP 94 CO 0.52 -1.75 1.67 0.58 -0.17 0.00 0.00 175.17 176.02 2jq6 h VAL 95 N 6.19 1.25 0.00 1.11 2.07 -1.86 -1.79 116.25 123.21 2jq6 h VAL 95 Ca -0.17 -1.86 -0.13 0.00 0.82 0.00 0.00 66.70 65.35 2jq6 h VAL 95 Cb 1.04 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2jq6 h VAL 95 CO 1.31 0.51 -0.64 0.44 0.02 0.00 0.00 177.57 179.21 2jq6 h ASP 96 N 0.00 0.00 -6.01 0.57 3.32 -1.91 -3.47 116.42 108.92 2jq6 h ASP 96 Ca -0.01 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.63 2jq6 h ASP 96 Cb 1.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.62 2jq6 h ASP 96 CO 0.07 0.64 -0.76 0.29 -1.72 0.00 0.00 179.24 177.75 2jq6 n LYS 97 N -3.30 -6.18 0.00 3.56 5.02 -0.67 -4.90 118.16 111.68 2jq6 n LYS 97 Ca 0.01 0.71 0.07 0.00 -2.02 0.00 0.00 58.31 57.08 2jq6 n LYS 97 Cb 0.77 -5.57 0.05 0.00 -0.02 0.00 0.00 35.03 30.26 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 -3.00 2.10 0.00 4.39 5.75 -1.26 -4.96 116.55 119.58 2jq6 n ASP 98 Ca -0.12 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 2jq6 n ASP 98 Cb 0.60 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 2jq6 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jq6 n GLY 99 N 0.77 0.83 3.31 6.12 0.00 -1.26 -5.04 105.19 109.91 2jq6 n GLY 99 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.46 -0.18 0.99 0.05 -1.26 -0.91 118.68 117.84 2jq6 s LEU 100 Ca 0.00 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.08 2jq6 s LEU 100 Cb 0.00 1.72 0.02 0.00 -2.05 0.00 0.00 46.19 45.88 2jq6 s LEU 100 CO 0.00 -0.71 -0.17 -0.76 -0.55 0.00 0.00 176.35 174.16 2jq6 s LEU 101 N -2.22 2.07 0.00 1.48 1.43 -0.63 -4.87 118.68 115.94 2jq6 s LEU 101 Ca -0.03 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 2jq6 s LEU 101 Cb -0.00 -1.37 0.25 0.00 0.03 0.00 0.00 46.19 45.11 2jq6 s LEU 101 CO -0.05 -0.04 0.96 -0.90 0.23 0.00 0.00 176.35 176.55 2jq6 n ASP 102 N 4.66 -1.68 -0.10 2.29 5.68 -1.26 -0.18 116.55 125.96 2jq6 n ASP 102 Ca -0.19 -1.11 0.10 0.00 -0.50 0.00 0.00 54.79 53.09 2jq6 n ASP 102 Cb 0.49 -0.86 0.45 0.00 -1.14 0.00 0.00 41.12 40.07 2jq6 n ASP 102 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2jq6 h ASP 103 N -2.35 0.46 0.70 -1.12 3.58 -1.95 0.36 116.42 116.09 2jq6 h ASP 103 Ca -0.35 0.01 -0.26 0.00 0.42 0.00 0.00 57.03 56.84 2jq6 h ASP 103 Cb 1.06 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 2jq6 h ASP 103 CO 0.23 0.29 -1.35 -0.08 -2.88 0.00 0.00 179.24 175.45 2jq6 h GLU 104 N 0.52 0.08 -0.01 0.28 4.81 -1.92 -1.92 114.58 116.43 2jq6 h GLU 104 Ca 0.28 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 2jq6 h GLU 104 Cb 0.42 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2jq6 h GLU 104 CO -0.08 0.90 -0.65 0.93 -0.73 0.00 0.00 179.01 179.38 2jq6 h GLU 105 N 0.02 0.02 -0.26 1.92 5.08 -1.58 -1.81 114.58 117.97 2jq6 h GLU 105 Ca -0.15 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2jq6 h GLU 105 Cb 1.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 2jq6 h GLU 105 CO 0.13 0.66 -0.16 0.35 -1.00 0.00 0.00 179.01 178.99 2jq6 h PHE 106 N 0.02 0.67 -0.75 4.33 3.04 -0.32 -0.57 116.94 123.35 2jq6 h PHE 106 Ca -0.01 -0.18 0.17 0.00 3.98 0.00 0.00 57.97 61.94 2jq6 h PHE 106 Cb 1.15 -0.15 -0.12 0.00 2.56 0.00 0.00 35.95 39.38 2jq6 h PHE 106 CO 0.00 0.85 0.10 0.00 -2.02 0.00 0.00 178.31 177.23 2jq6 h ALA 107 N 0.72 0.90 -0.13 2.41 0.00 -1.00 0.72 119.26 122.87 2jq6 h ALA 107 Ca 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2jq6 h ALA 107 Cb 0.69 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jq6 h ALA 107 CO 0.05 -0.40 -0.13 1.25 0.00 0.00 0.00 179.25 180.02 2jq6 h LEU 108 N 0.17 0.34 -0.31 0.00 6.46 -1.23 -1.86 115.31 118.88 2jq6 h LEU 108 Ca 0.43 -0.48 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 2jq6 h LEU 108 Cb 0.76 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.51 2jq6 h LEU 108 CO -0.60 0.75 -0.28 0.00 -0.62 0.00 0.00 178.44 177.69 2jq6 h ALA 109 N 0.60 -0.16 0.00 1.25 0.00 0.58 0.25 119.26 121.78 2jq6 h ALA 109 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2jq6 h ALA 109 Cb 0.66 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2jq6 h ALA 109 CO 0.03 -0.70 -0.34 -0.97 0.00 0.00 0.00 179.25 177.28 2jq6 h ASN 110 N -0.26 0.00 -0.34 0.00 -0.00 -1.00 -1.88 115.58 112.09 2jq6 h ASN 110 Ca 0.15 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.29 2jq6 h ASN 110 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.82 2jq6 h ASN 110 CO -0.45 0.34 -0.44 -0.74 -0.00 0.00 0.00 177.43 176.14 2jq6 h HIS 111 N 0.00 1.11 -0.30 0.67 2.76 -0.13 -1.75 115.15 117.51 2jq6 h HIS 111 Ca -0.00 -0.35 -0.13 0.00 -2.20 0.00 0.00 60.37 57.69 2jq6 h HIS 111 Cb 0.88 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 2jq6 h HIS 111 CO 0.00 1.18 -0.33 -0.07 -1.30 0.00 0.00 177.93 177.41 2jq6 h LEU 112 N 0.73 0.67 -0.22 0.26 3.38 -0.30 0.22 115.31 120.05 2jq6 h LEU 112 Ca 0.05 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2jq6 h LEU 112 Cb 1.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2jq6 h LEU 112 CO 0.10 0.95 0.04 0.40 0.09 0.00 0.00 178.44 180.03 2jq6 h ILE 113 N 0.55 0.89 0.00 1.22 2.04 -1.16 0.21 117.51 121.26 2jq6 h ILE 113 Ca 0.06 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 2jq6 h ILE 113 Cb 0.84 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2jq6 h ILE 113 CO 0.07 0.02 -0.44 0.07 0.00 0.00 0.00 178.15 177.88 2jq6 h LYS 114 N 0.13 0.00 -0.42 2.37 2.10 -1.14 -1.27 116.57 118.33 2jq6 h LYS 114 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2jq6 h LYS 114 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 2jq6 h LYS 114 CO -0.14 0.44 0.21 0.28 -2.00 0.00 0.00 179.45 178.24 2jq6 h VAL 115 N 0.00 1.17 -0.00 0.07 2.07 -0.19 -1.01 116.25 118.36 2jq6 h VAL 115 Ca -0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jq6 h VAL 115 Cb 0.85 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2jq6 h VAL 115 CO 0.06 0.18 -0.05 2.29 0.02 0.00 0.00 177.57 180.07 2jq6 n LYS 116 N -4.69 0.96 0.13 1.57 2.85 -0.01 -2.25 118.16 116.73 2jq6 n LYS 116 Ca 0.00 -0.30 0.06 0.00 -1.05 0.00 0.00 58.31 57.02 2jq6 n LYS 116 Cb 0.10 -1.49 0.03 0.00 -0.65 0.00 0.00 35.03 33.02 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 0.73 0.00 -0.84 -5.58 5.85 -0.36 -3.28 115.31 111.82 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 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2jq6 h LEU 117 CO 0.00 0.31 0.00 -0.62 -0.34 0.00 0.00 178.44 177.79 2jq6 n GLU 118 N -3.04 0.15 0.00 1.25 1.02 -0.47 -4.82 120.64 114.74 2jq6 n GLU 118 Ca -0.00 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2jq6 n GLU 118 Cb 0.68 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.47 1.23 3.03 0.62 0.00 -1.24 -5.10 105.19 103.27 2jq6 n GLY 119 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 0.86 0.77 1.61 -3.43 -1.26 -5.09 115.29 106.75 2jq6 s HIS 120 Ca 0.00 -0.17 -0.11 0.00 -0.80 0.00 0.00 55.06 53.98 2jq6 s HIS 120 Cb 0.00 -0.55 0.05 0.00 -1.43 0.00 0.00 32.58 30.65 2jq6 s HIS 120 CO 0.00 -0.01 1.10 -1.83 -2.00 0.00 0.00 174.74 172.00 2jq6 s GLU 121 N -0.25 2.35 0.35 -0.38 -1.05 -1.26 -3.56 118.70 114.89 2jq6 s GLU 121 Ca 0.04 0.55 -0.27 0.00 -0.15 0.00 0.00 54.97 55.13 2jq6 s GLU 121 Cb -0.04 -1.96 -0.09 0.00 -0.44 0.00 0.00 34.13 31.60 2jq6 s GLU 121 CO -0.00 -1.41 1.18 -0.51 0.95 0.00 0.00 175.26 175.47 2jq6 s LEU 122 N -5.62 4.36 -0.04 1.83 1.43 -1.26 -4.94 118.68 114.44 2jq6 s LEU 122 Ca 0.60 2.40 0.13 0.00 -1.03 0.00 0.00 54.13 56.23 2jq6 s LEU 122 Cb -0.13 -3.81 0.43 0.00 0.03 0.00 0.00 46.19 42.71 2jq6 s LEU 122 CO 0.53 -0.48 1.32 -0.81 0.23 0.00 0.00 176.35 177.14 2jq6 n PRO 123 N 0.58 2.45 -1.76 1.29 -0.04 -1.26 -4.89 135.00 131.37 2jq6 n PRO 123 Ca 0.02 -1.73 -0.21 0.00 -0.04 0.00 0.00 63.50 61.53 2jq6 n PRO 123 Cb 0.45 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.71 -0.38 -2.54 0.55 0.00 -1.26 -4.97 120.51 112.62 2jq6 n ALA 124 Ca 0.16 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 2jq6 n ALA 124 Cb 0.52 -2.09 -0.12 0.00 0.00 0.00 0.00 19.45 17.75 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 -2.64 4.40 -0.46 0.00 -1.08 -1.26 -5.08 116.67 110.54 2jq6 s ASP 125 Ca 0.00 -0.09 0.04 0.00 -0.52 0.00 0.00 52.55 51.98 2jq6 s ASP 125 Cb 0.00 -1.04 0.12 0.00 -1.46 0.00 0.00 42.92 40.54 2jq6 s ASP 125 CO 0.00 0.36 0.19 -0.22 0.52 0.00 0.00 175.17 176.02 2jq6 s LEU 126 N -0.77 4.48 0.58 -1.34 0.20 -1.26 -5.10 118.68 115.47 2jq6 s LEU 126 Ca 0.12 -2.73 -0.17 0.00 0.69 0.00 0.00 54.13 52.04 2jq6 s LEU 126 Cb -0.11 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 2jq6 s LEU 126 CO 0.01 -0.28 1.07 -2.84 -0.29 0.00 0.00 176.35 174.02 2jq6 s PRO 127 N 0.11 3.32 0.00 0.98 0.02 -1.26 -4.80 135.00 133.36 2jq6 s PRO 127 Ca 0.15 1.30 0.11 0.00 0.02 0.00 0.00 61.00 62.58 2jq6 s PRO 127 Cb -0.24 -2.03 0.53 0.00 0.02 0.00 0.00 34.50 32.79 2jq6 s PRO 127 CO -0.03 -0.82 1.29 -2.30 -0.33 0.00 0.00 177.00 174.81 2jq6 n PRO 128 N -1.84 0.10 -0.42 5.54 -0.02 -1.26 -0.29 135.00 136.82 2jq6 n PRO 128 Ca 0.09 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2jq6 n PRO 128 Cb 0.52 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.78 2jq6 n PRO 128 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2jq6 n HIS 129 N -1.36 1.01 -0.40 6.00 1.44 -1.26 -4.08 115.22 116.57 2jq6 n HIS 129 Ca 0.04 -0.62 0.00 0.00 -2.01 0.00 0.00 57.72 55.14 2jq6 n HIS 129 Cb 0.10 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.05 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 0.67 0.15 -4.66 2.39 4.32 0.60 -4.27 117.00 116.19 2jq6 n LEU 130 Ca 0.20 -0.21 -0.42 0.00 -0.02 0.00 0.00 56.01 55.56 2jq6 n LEU 130 Cb 0.72 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.49 2jq6 n LEU 130 CO 0.16 0.04 1.39 -0.69 -1.22 0.00 0.00 177.39 177.07 2jq6 s VAL 131 N -0.12 3.47 -0.07 4.08 1.01 0.33 -4.89 120.40 124.21 2jq6 s VAL 131 Ca 0.00 0.61 -0.36 0.00 0.00 0.00 0.00 61.98 62.24 2jq6 s VAL 131 Cb 0.00 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 2jq6 s VAL 131 CO 0.00 -0.05 1.76 -2.65 0.00 0.00 0.00 175.10 174.16 2jq6 n PRO 132 N 6.99 1.87 -0.30 2.72 -0.02 -1.26 -4.83 135.00 140.18 2jq6 n PRO 132 Ca 0.17 0.68 0.28 0.00 -2.02 0.00 0.00 63.50 62.62 2jq6 n PRO 132 Cb 0.42 -2.47 0.63 0.00 -0.02 0.00 0.00 33.50 32.07 2jq6 n PRO 132 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jq6 h PRO 133 N 7.83 0.18 -0.00 0.52 0.13 -1.96 0.31 132.00 139.01 2jq6 h PRO 133 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jq6 h PRO 133 Cb 1.28 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jq6 h PRO 133 CO 0.93 0.12 -0.00 0.43 -0.23 0.00 0.00 178.00 179.24 2jq6 n SER 134 N -4.40 0.03 -1.03 1.44 7.64 -1.26 -2.56 113.62 113.48 2jq6 n SER 134 Ca 0.24 -0.63 0.10 0.00 1.01 0.00 0.00 58.87 59.60 2jq6 n SER 134 Cb 1.02 -0.12 0.19 0.00 -1.01 0.00 0.00 64.21 64.29 2jq6 n SER 134 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jq6 n LYS 135 N -1.11 2.36 -2.34 1.43 4.76 0.11 -4.86 118.16 118.51 2jq6 n LYS 135 Ca 0.19 -2.16 -0.40 0.00 -2.87 0.00 0.00 58.31 53.07 2jq6 n LYS 135 Cb 0.17 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 2jq6 n LYS 135 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2jq6 s ARG 136 N -1.35 3.06 -0.14 1.97 1.81 -1.06 -4.95 118.95 118.29 2jq6 s ARG 136 Ca 0.34 0.24 -0.05 0.00 -1.72 0.00 0.00 55.73 54.54 2jq6 s ARG 136 Cb 0.20 -4.23 0.07 0.00 -0.45 0.00 0.00 34.95 30.54 2jq6 s ARG 136 CO 0.28 -2.26 0.29 -0.98 -0.68 0.00 0.00 175.30 171.95 2jq6 s ARG 137 N 6.06 0.19 -0.42 3.54 3.03 -1.26 -5.12 118.95 124.98 2jq6 s ARG 137 Ca 0.50 0.77 -0.16 0.00 2.03 0.00 0.00 55.73 58.87 2jq6 s ARG 137 Cb -0.10 0.02 0.02 0.00 -1.03 0.00 0.00 34.95 33.85 2jq6 s ARG 137 CO 0.20 -0.26 0.38 -1.58 -1.13 0.00 0.00 175.30 172.91 2jq6 s HIS 138 N 2.25 3.20 -2.58 5.89 2.46 -1.26 -5.28 115.29 119.98 2jq6 s HIS 138 Ca -0.01 -0.46 0.27 0.00 0.47 0.00 0.00 55.06 55.33 2jq6 s HIS 138 Cb -0.12 -2.76 0.92 0.00 -0.13 0.00 0.00 32.58 30.49 2jq6 s HIS 138 CO -0.09 -0.65 1.67 0.39 -2.47 0.00 0.00 174.74 173.58