#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jq6 n PRO 2 N 0.00 1.72 -4.01 1.61 -0.04 -1.26 -4.44 135.00 128.57 2jq6 n PRO 2 Ca 0.00 -1.10 -0.35 0.00 -0.04 0.00 0.00 63.50 62.01 2jq6 n PRO 2 Cb 0.00 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 2jq6 n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jq6 s LEU 3 N -1.20 3.35 0.00 1.53 1.98 -1.26 -4.28 118.68 118.80 2jq6 s LEU 3 Ca 0.25 -0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.32 2jq6 s LEU 3 Cb 0.13 -1.86 0.00 0.00 0.66 0.00 0.00 46.19 45.12 2jq6 s LEU 3 CO 0.19 0.06 0.00 0.61 -1.89 0.00 0.00 176.35 175.31 2jq6 n GLY 4 N 4.30 0.79 3.64 7.98 0.00 -1.26 -4.98 105.19 115.66 2jq6 n GLY 4 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.94 -0.71 -0.26 1.61 0.15 -1.26 -5.11 113.70 105.18 2jq6 s SER 5 Ca 0.00 1.16 -0.29 0.00 0.70 0.00 0.00 55.95 57.52 2jq6 s SER 5 Cb 0.00 1.27 -0.00 0.00 -1.71 0.00 0.00 66.02 65.58 2jq6 s SER 5 CO 0.00 -0.19 1.26 -1.83 1.20 0.00 0.00 173.24 173.69 2jq6 s GLU 6 N 1.31 4.04 -0.72 5.44 1.03 -1.26 -4.29 118.70 124.24 2jq6 s GLU 6 Ca -0.08 1.36 -0.24 0.00 0.03 0.00 0.00 54.97 56.04 2jq6 s GLU 6 Cb -0.04 -3.82 0.06 0.00 -0.80 0.00 0.00 34.13 29.52 2jq6 s GLU 6 CO -0.15 -0.96 1.11 0.45 -1.33 0.00 0.00 175.26 174.38 2jq6 s SER 7 N 2.40 6.21 0.09 0.83 0.15 -1.26 -5.01 113.70 117.10 2jq6 s SER 7 Ca 0.54 -0.87 -0.19 0.00 0.70 0.00 0.00 55.95 56.13 2jq6 s SER 7 Cb -0.18 -2.48 -0.07 0.00 -1.71 0.00 0.00 66.02 61.59 2jq6 s SER 7 CO 0.19 -1.57 0.59 -1.48 1.20 0.00 0.00 173.24 172.17 2jq6 s LEU 8 N 4.65 4.52 0.39 3.45 2.34 -1.26 -5.06 118.68 127.70 2jq6 s LEU 8 Ca 0.28 1.29 -0.25 0.00 0.06 0.00 0.00 54.13 55.51 2jq6 s LEU 8 Cb -0.12 -2.97 -0.09 0.00 -0.56 0.00 0.00 46.19 42.45 2jq6 s LEU 8 CO 0.10 0.25 1.12 -0.04 -1.06 0.00 0.00 176.35 176.72 2jq6 s MET 9 N -1.19 4.14 0.24 1.48 -1.94 -1.26 -4.94 119.30 115.83 2jq6 s MET 9 Ca 0.30 1.72 -0.07 0.00 -1.71 0.00 0.00 55.69 55.94 2jq6 s MET 9 Cb -0.19 -2.68 0.42 0.00 2.01 0.00 0.00 34.83 34.39 2jq6 s MET 9 CO 0.20 -0.21 1.67 -1.00 -0.01 0.00 0.00 175.02 175.66 2jq6 h PRO 10 N 2.70 0.18 -4.74 2.03 0.13 -2.05 -3.31 132.00 126.93 2jq6 h PRO 10 Ca -0.48 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 2jq6 h PRO 10 Cb 1.23 -0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 2jq6 h PRO 10 CO 0.63 0.12 -0.63 0.45 -0.23 0.00 0.00 178.00 178.34 2jq6 s SER 11 N -5.22 5.15 -0.81 1.44 0.15 -1.26 -5.05 113.70 108.11 2jq6 s SER 11 Ca -0.13 -0.98 -0.26 0.00 0.70 0.00 0.00 55.95 55.29 2jq6 s SER 11 Cb 0.21 -1.85 0.04 0.00 -1.71 0.00 0.00 66.02 62.71 2jq6 s SER 11 CO 0.75 -0.26 1.30 -1.58 1.20 0.00 0.00 173.24 174.65 2jq6 s GLN 12 N 1.42 3.29 -0.04 5.44 2.00 -1.25 -4.98 119.66 125.54 2jq6 s GLN 12 Ca -0.00 -0.53 0.02 0.00 -2.00 0.00 0.00 55.36 52.85 2jq6 s GLN 12 Cb -0.18 -4.50 -0.03 0.00 0.80 0.00 0.00 33.01 29.10 2jq6 s GLN 12 CO 0.02 -2.14 -0.09 0.14 -0.50 0.00 0.00 175.29 172.72 2jq6 s VAL 13 N 5.39 3.50 -0.30 1.34 -7.23 -1.26 -5.10 120.40 116.73 2jq6 s VAL 13 Ca 0.37 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.83 2jq6 s VAL 13 Cb -0.06 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2jq6 s VAL 13 CO 0.08 0.54 0.11 0.54 -0.31 0.00 0.00 175.10 176.06 2jq6 s VAL 14 N -0.84 4.23 -0.89 1.32 0.11 -1.26 -5.03 120.40 118.04 2jq6 s VAL 14 Ca 0.13 -0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 58.50 2jq6 s VAL 14 Cb -0.11 -3.17 0.23 0.00 -1.53 0.00 0.00 36.38 31.80 2jq6 s VAL 14 CO 0.03 0.08 0.83 -0.54 -3.33 0.00 0.00 175.10 172.16 2jq6 s LYS 15 N 1.55 3.64 -0.31 1.54 1.02 -1.26 -5.03 119.74 120.88 2jq6 s LYS 15 Ca 0.03 -2.76 -0.29 0.00 0.02 0.00 0.00 55.97 52.98 2jq6 s LYS 15 Cb -0.17 -4.35 -0.01 0.00 -0.52 0.00 0.00 37.83 32.78 2jq6 s LYS 15 CO 0.04 -1.26 1.52 0.20 -0.92 0.00 0.00 175.35 174.93 2jq6 s GLY 16 N 1.56 1.15 0.00 -3.33 0.00 -1.26 -2.63 107.32 102.82 2jq6 s GLY 16 Ca 0.22 0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2jq6 s GLY 16 CO -0.08 2.89 0.00 0.61 0.00 0.00 0.00 173.10 176.52 2jq6 n GLY 17 N 4.82 0.92 3.23 0.20 0.00 -1.26 -4.98 105.19 108.12 2jq6 n GLY 17 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.66 3.50 -0.62 4.61 0.00 -1.08 -5.02 121.76 119.49 2jq6 s ALA 18 Ca 0.00 -2.62 -0.28 0.00 0.00 0.00 0.00 51.96 49.06 2jq6 s ALA 18 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2jq6 s ALA 18 CO 0.00 -1.96 1.31 -0.59 0.00 0.00 0.00 175.76 174.52 2jq6 s PHE 19 N 1.27 2.37 -0.16 0.00 -0.71 -1.26 -4.86 117.98 114.63 2jq6 s PHE 19 Ca 0.06 0.31 -0.21 0.00 -1.04 0.00 0.00 56.93 56.06 2jq6 s PHE 19 Cb -0.26 -4.50 -0.03 0.00 -1.21 0.00 0.00 43.02 37.03 2jq6 s PHE 19 CO -0.01 -1.88 0.61 0.34 -1.34 0.00 0.00 175.22 172.95 2jq6 s ASP 20 N 3.84 6.73 -0.57 1.98 -1.08 -1.26 -4.99 116.67 121.32 2jq6 s ASP 20 Ca 0.44 0.88 0.06 0.00 -0.52 0.00 0.00 52.55 53.42 2jq6 s ASP 20 Cb -0.09 -2.35 0.28 0.00 -1.46 0.00 0.00 42.92 39.30 2jq6 s ASP 20 CO 0.22 -0.20 0.76 0.61 0.52 0.00 0.00 175.17 177.08 2jq6 n GLY 21 N 3.61 4.63 3.61 2.66 0.00 -1.26 -5.06 105.19 113.38 2jq6 n GLY 21 Ca -0.02 -2.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.04 2jq6 n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jq6 s THR 22 N -2.74 3.65 -0.63 2.61 2.01 -1.26 -4.94 115.64 114.33 2jq6 s THR 22 Ca 0.41 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 62.83 2jq6 s THR 22 Cb 0.20 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2jq6 s THR 22 CO -0.06 -0.42 1.48 -0.04 -0.69 0.00 0.00 174.62 174.89 2jq6 s MET 23 N 5.10 3.11 0.56 4.92 -1.94 -1.26 -4.99 119.30 124.80 2jq6 s MET 23 Ca 0.73 0.27 -0.12 0.00 -1.71 0.00 0.00 55.69 54.86 2jq6 s MET 23 Cb -0.22 -4.20 -0.05 0.00 2.01 0.00 0.00 34.83 32.36 2jq6 s MET 23 CO 0.32 -2.19 0.96 -0.80 -0.01 0.00 0.00 175.02 173.30 2jq6 s ASN 24 N 5.06 6.36 0.00 3.03 0.01 -1.26 -4.49 114.94 123.65 2jq6 s ASN 24 Ca 0.50 1.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 2jq6 s ASN 24 Cb -0.10 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.12 2jq6 s ASN 24 CO 0.21 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 2jq6 n GLY 25 N -2.27 1.43 3.74 0.66 0.00 -1.26 -5.10 105.19 102.39 2jq6 n GLY 25 Ca 0.05 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2jq6 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jq6 s PRO 26 N 0.00 4.46 -0.07 1.61 0.05 -1.26 -5.07 135.00 134.72 2jq6 s PRO 26 Ca 0.00 0.98 0.03 0.00 0.05 0.00 0.00 61.00 62.06 2jq6 s PRO 26 Cb 0.00 -3.39 0.01 0.00 0.05 0.00 0.00 34.50 31.17 2jq6 s PRO 26 CO 0.00 0.21 -0.14 0.12 0.05 0.00 0.00 177.00 177.24 2jq6 s PHE 27 N 0.25 1.59 0.00 0.56 5.36 -1.26 -5.12 117.98 119.36 2jq6 s PHE 27 Ca 0.38 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 2jq6 s PHE 27 Cb -0.19 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 2jq6 s PHE 27 CO 0.21 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 2jq6 n GLY 28 N 3.74 1.05 3.55 13.12 0.00 -1.26 -5.17 105.19 120.22 2jq6 n GLY 28 Ca -0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 2jq6 n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jq6 s HIS 29 N -2.00 -0.92 -0.22 1.61 5.04 -1.26 -5.15 115.29 112.38 2jq6 s HIS 29 Ca 0.00 1.66 -0.06 0.00 -1.54 0.00 0.00 55.06 55.13 2jq6 s HIS 29 Cb 0.00 0.55 0.11 0.00 0.04 0.00 0.00 32.58 33.28 2jq6 s HIS 29 CO 0.00 -0.46 0.43 0.20 -2.34 0.00 0.00 174.74 172.58 2jq6 s GLY 30 N 2.29 -0.44 0.51 1.59 0.00 -1.26 -5.16 107.32 104.85 2jq6 s GLY 30 Ca -0.06 1.43 0.04 0.00 0.00 0.00 0.00 44.72 46.13 2jq6 s GLY 30 CO -0.18 2.58 0.71 -2.52 0.00 0.00 0.00 173.10 173.69 2jq6 s TYR 31 N 2.63 2.80 -0.92 1.90 -0.85 -1.26 -5.00 117.35 116.65 2jq6 s TYR 31 Ca 0.03 -0.16 -0.24 0.00 -0.52 0.00 0.00 57.07 56.18 2jq6 s TYR 31 Cb -0.13 -2.62 0.01 0.00 0.38 0.00 0.00 41.96 39.61 2jq6 s TYR 31 CO -0.14 -0.73 1.60 0.20 -1.52 0.00 0.00 175.55 174.96 2jq6 s GLY 32 N -4.41 0.83 0.09 5.49 0.00 -1.26 -4.96 107.32 103.10 2jq6 s GLY 32 Ca 0.57 -1.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 2jq6 s GLY 32 CO 0.37 2.96 1.06 -1.83 0.00 0.00 0.00 173.10 175.66 2jq6 s GLU 33 N 5.79 4.57 -0.78 2.90 -1.05 -1.26 -4.97 118.70 123.90 2jq6 s GLU 33 Ca 0.53 1.58 -0.26 0.00 -0.15 0.00 0.00 54.97 56.67 2jq6 s GLU 33 Cb -0.04 -3.37 0.03 0.00 -0.44 0.00 0.00 34.13 30.32 2jq6 s GLU 33 CO -0.02 0.00 1.36 0.20 0.95 0.00 0.00 175.26 177.75 2jq6 s GLY 34 N 0.47 0.89 -0.23 -3.83 0.00 -1.26 -4.97 107.32 98.40 2jq6 s GLY 34 Ca 0.52 -1.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2jq6 s GLY 34 CO 0.30 2.72 1.19 0.00 0.00 0.00 0.00 173.10 177.32 2jq6 s ALA 35 N 5.89 3.59 -0.46 3.20 0.00 -1.26 -4.99 121.76 127.73 2jq6 s ALA 35 Ca 0.40 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 2jq6 s ALA 35 Cb -0.07 -3.64 0.10 0.00 0.00 0.00 0.00 23.12 19.51 2jq6 s ALA 35 CO 0.11 -1.30 0.33 0.20 0.00 0.00 0.00 175.76 175.09 2jq6 s GLY 36 N 1.91 2.02 0.60 0.00 0.00 -1.26 -5.08 107.32 105.52 2jq6 s GLY 36 Ca 0.51 -2.39 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 2jq6 s GLY 36 CO 0.14 1.07 0.82 -1.84 0.00 0.00 0.00 173.10 173.29 2jq6 n GLU 37 N 4.94 -0.36 -1.95 2.90 0.28 -1.26 -4.94 120.64 120.25 2jq6 n GLU 37 Ca -0.09 -1.75 -0.42 0.00 -0.16 0.00 0.00 57.16 54.74 2jq6 n GLU 37 Cb 0.42 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.58 2jq6 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jq6 n GLY 38 N -0.84 4.20 3.75 -1.84 0.00 -1.26 -4.95 105.19 104.26 2jq6 n GLY 38 Ca 0.12 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 2.94 2.91 -1.19 -0.61 -4.36 -1.26 -4.87 121.20 114.77 2jq6 s ILE 39 Ca 0.47 0.44 -0.18 0.00 -0.26 0.00 0.00 60.65 61.12 2jq6 s ILE 39 Cb 0.12 -2.98 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 2jq6 s ILE 39 CO -0.05 -0.25 2.02 0.47 0.24 0.00 0.00 174.94 177.36 2jq6 n ASP 40 N -2.46 3.55 -3.79 4.36 8.00 -1.26 -4.76 116.55 120.19 2jq6 n ASP 40 Ca 0.11 -2.79 -0.30 0.00 0.71 0.00 0.00 54.79 52.53 2jq6 n ASP 40 Cb 0.51 -1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 39.95 2jq6 n ASP 40 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jq6 s ASP 41 N 4.32 4.05 -0.55 -2.24 1.01 -1.26 -5.06 116.67 116.94 2jq6 s ASP 41 Ca 0.54 -2.17 -0.02 0.00 0.71 0.00 0.00 52.55 51.61 2jq6 s ASP 41 Cb 0.11 -1.12 0.14 0.00 1.01 0.00 0.00 42.92 43.06 2jq6 s ASP 41 CO 0.03 -0.35 0.35 0.54 0.21 0.00 0.00 175.17 175.96 2jq6 s VAL 42 N 0.92 3.49 -0.28 -1.27 0.11 -1.26 -5.01 120.40 117.10 2jq6 s VAL 42 Ca 0.13 -2.72 -0.03 0.00 -2.93 0.00 0.00 61.98 56.43 2jq6 s VAL 42 Cb -0.21 -3.32 0.11 0.00 -1.53 0.00 0.00 36.38 31.43 2jq6 s VAL 42 CO -0.11 -0.82 0.18 -0.70 -3.33 0.00 0.00 175.10 170.32 2jq6 s GLU 43 N 0.27 0.22 0.30 1.54 2.12 -1.26 -5.12 118.70 116.77 2jq6 s GLU 43 Ca 0.14 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 2jq6 s GLU 43 Cb -0.21 -1.04 -0.09 0.00 0.26 0.00 0.00 34.13 33.04 2jq6 s GLU 43 CO -0.03 -0.99 1.11 -0.46 -0.54 0.00 0.00 175.26 174.34 2jq6 s TRP 44 N 2.19 3.51 -0.27 5.30 -0.00 -1.26 -4.90 118.94 123.51 2jq6 s TRP 44 Ca 0.09 1.68 0.08 0.00 -0.00 0.00 0.00 56.10 57.95 2jq6 s TRP 44 Cb -0.15 -3.29 0.44 0.00 -0.00 0.00 0.00 33.47 30.47 2jq6 s TRP 44 CO -0.34 -0.64 1.12 0.28 -0.00 0.00 0.00 176.95 177.37 2jq6 n VAL 45 N 1.02 0.91 0.15 5.86 0.31 -1.26 -0.82 118.33 124.50 2jq6 n VAL 45 Ca -0.00 0.64 0.04 0.00 -0.01 0.00 0.00 64.34 65.01 2jq6 n VAL 45 Cb 0.45 -1.64 0.05 0.00 -0.91 0.00 0.00 33.84 31.79 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 0.72 0.00 2.52 2.07 -1.92 -3.22 116.25 116.42 2jq6 h VAL 46 Ca 0.00 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.51 2jq6 h VAL 46 Cb 0.47 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2jq6 h VAL 46 CO 0.00 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.61 2jq6 n GLY 47 N 1.20 -0.76 0.35 2.17 0.00 -0.00 0.49 105.19 108.64 2jq6 n GLY 47 Ca 0.02 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.04 0.70 0.00 1.61 2.85 -1.22 -4.55 118.16 115.52 2jq6 n LYS 48 Ca -0.01 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.28 2jq6 n LYS 48 Cb 0.02 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 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 0.37 0.38 -0.18 -5.58 2.03 -0.02 -4.83 116.55 108.73 2jq6 n ASP 49 Ca 0.05 -1.07 -0.02 0.00 0.52 0.00 0.00 54.79 54.28 2jq6 n ASP 49 Cb 0.23 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.00 0.38 -1.51 -0.67 3.64 -0.20 -1.52 116.57 116.69 2jq6 h LYS 50 Ca 0.00 -0.02 0.46 0.00 -1.27 0.00 0.00 60.65 59.82 2jq6 h LYS 50 Cb 0.45 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 2jq6 h LYS 50 CO 0.00 0.25 1.03 -1.35 -2.27 0.00 0.00 179.45 177.12 2jq6 h PRO 51 N 0.39 0.05 -0.02 1.90 0.11 -1.88 0.49 132.00 133.05 2jq6 h PRO 51 Ca 0.27 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.34 2jq6 h PRO 51 Cb 0.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2jq6 h PRO 51 CO -0.26 0.04 -0.13 1.15 -0.21 0.00 0.00 178.00 178.58 2jq6 h THR 52 N 0.05 1.51 0.00 -1.15 2.02 -1.65 -1.25 112.91 112.45 2jq6 h THR 52 Ca 0.82 -1.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 2jq6 h THR 52 Cb 2.90 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 71.85 2jq6 h THR 52 CO -0.23 0.46 -0.41 1.88 0.37 0.00 0.00 175.52 177.59 2jq6 h TYR 53 N -0.49 0.00 0.08 3.16 0.05 -0.97 -2.51 116.97 116.29 2jq6 h TYR 53 Ca -0.01 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.50 2jq6 h TYR 53 Cb 0.81 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 2jq6 h TYR 53 CO 0.16 0.41 -1.33 0.22 -1.05 0.00 0.00 178.16 176.57 2jq6 h ASP 54 N 0.00 0.26 -0.37 3.88 1.82 -0.17 0.07 116.42 121.91 2jq6 h ASP 54 Ca -0.00 -0.32 -0.15 0.00 -0.39 0.00 0.00 57.03 56.17 2jq6 h ASP 54 Cb 1.13 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 2jq6 h ASP 54 CO 0.05 1.26 -0.34 1.05 -1.61 0.00 0.00 179.24 179.65 2jq6 h GLU 55 N 0.04 0.91 -0.09 0.28 -0.00 -1.14 -1.25 114.58 113.34 2jq6 h GLU 55 Ca -0.15 -0.45 -0.11 0.00 -0.00 0.00 0.00 59.36 58.65 2jq6 h GLU 55 Cb 1.94 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.68 2jq6 h GLU 55 CO 0.16 1.10 -0.42 0.82 -0.00 0.00 0.00 179.01 180.67 2jq6 h ILE 56 N 0.76 1.31 0.01 -1.06 2.04 -1.44 0.11 117.51 119.24 2jq6 h ILE 56 Ca 0.07 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.42 2jq6 h ILE 56 Cb 0.92 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 2jq6 h ILE 56 CO 0.09 0.45 -0.19 0.15 0.00 0.00 0.00 178.15 178.65 2jq6 h PHE 57 N 0.16 -0.49 0.00 1.37 3.57 -0.49 0.31 116.94 121.38 2jq6 h PHE 57 Ca 0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2jq6 h PHE 57 Cb 0.82 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2jq6 h PHE 57 CO 0.01 -0.27 -0.19 1.88 -2.23 0.00 0.00 178.31 177.52 2jq6 h TYR 58 N -0.31 0.00 -0.10 0.41 -1.99 -1.09 -2.95 116.97 110.95 2jq6 h TYR 58 Ca 0.05 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.66 2jq6 h TYR 58 Cb 0.37 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2jq6 h TYR 58 CO -0.23 0.19 -0.49 1.15 -0.00 0.00 0.00 178.16 178.78 2jq6 h THR 59 N 0.00 1.34 -0.00 -2.88 2.02 0.13 -2.18 112.91 111.34 2jq6 h THR 59 Ca -0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2jq6 h THR 59 Cb 0.90 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2jq6 h THR 59 CO 0.02 0.51 -0.15 0.18 0.37 0.00 0.00 175.52 176.45 2jq6 n LEU 60 N -3.96 0.23 -1.91 2.58 4.77 0.10 -5.00 117.00 113.82 2jq6 n LEU 60 Ca -0.02 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 2jq6 n LEU 60 Cb 0.54 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2jq6 n LEU 60 CO 0.43 0.05 -0.22 -0.24 -1.33 0.00 0.00 177.39 176.08 2jq6 n SER 61 N -1.36 -2.29 -4.74 -1.43 2.88 -0.82 -5.04 113.62 100.82 2jq6 n SER 61 Ca 0.09 0.49 -0.27 0.00 -1.33 0.00 0.00 58.87 57.85 2jq6 n SER 61 Cb 0.32 -2.54 0.10 0.00 -0.75 0.00 0.00 64.21 61.34 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 -0.78 1.78 -0.14 -1.46 0.04 -1.24 -4.83 135.00 128.38 2jq6 s PRO 62 Ca -0.07 -0.27 -0.03 0.00 0.04 0.00 0.00 61.00 60.68 2jq6 s PRO 62 Cb 0.00 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2jq6 s PRO 62 CO 0.29 -1.58 0.03 0.08 0.04 0.00 0.00 177.00 175.85 2jq6 s VAL 63 N -3.45 0.34 -1.00 -0.36 1.01 0.73 -4.83 120.40 112.83 2jq6 s VAL 63 Ca 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2jq6 s VAL 63 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2jq6 s VAL 63 CO 0.47 -0.02 0.00 0.59 0.00 0.00 0.00 175.10 176.14 2jq6 n ASN 64 N 5.14 -3.92 0.00 3.32 5.03 -1.26 -3.14 115.26 120.43 2jq6 n ASN 64 Ca -0.08 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2jq6 n ASN 64 Cb 0.49 -2.64 0.00 0.00 -1.02 0.00 0.00 39.78 36.61 2jq6 n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jq6 n GLY 65 N -1.46 1.15 3.55 7.41 0.00 -1.26 -5.06 105.19 109.51 2jq6 n GLY 65 Ca -0.11 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 2jq6 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jq6 s LYS 66 N -1.34 0.66 0.07 1.61 0.00 -1.19 -4.08 119.74 115.47 2jq6 s LYS 66 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 55.97 55.71 2jq6 s LYS 66 Cb 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 37.83 38.08 2jq6 s LYS 66 CO 0.00 -0.25 0.68 0.96 0.00 0.00 0.00 175.35 176.75 2jq6 s ILE 67 N -1.92 4.69 0.22 3.79 -4.36 0.11 -0.19 121.20 123.53 2jq6 s ILE 67 Ca 0.01 1.46 -0.32 0.00 -0.26 0.00 0.00 60.65 61.55 2jq6 s ILE 67 Cb -0.01 -4.03 -0.12 0.00 1.25 0.00 0.00 42.46 39.56 2jq6 s ILE 67 CO -0.02 0.46 1.70 0.42 0.24 0.00 0.00 174.94 177.74 2jq6 s THR 68 N -0.59 2.04 0.59 8.37 -4.23 -1.26 -1.42 115.64 119.15 2jq6 s THR 68 Ca 0.34 0.03 0.29 0.00 -1.18 0.00 0.00 61.69 61.17 2jq6 s THR 68 Cb -0.20 -3.02 0.38 0.00 1.34 0.00 0.00 72.50 71.00 2jq6 s THR 68 CO 0.21 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.36 2jq6 h GLY 69 N 6.53 0.00 -0.30 3.99 0.00 -1.15 -0.37 103.07 111.77 2jq6 h GLY 69 Ca -0.44 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.97 2jq6 h GLY 69 CO 0.93 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 177.08 2jq6 h ALA 70 N 1.36 -0.30 0.00 3.60 0.00 -1.89 0.35 119.26 122.38 2jq6 h ALA 70 Ca 0.25 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2jq6 h ALA 70 Cb 1.37 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 2jq6 h ALA 70 CO -0.00 -0.80 -0.46 -2.95 0.00 0.00 0.00 179.25 175.04 2jq6 h ASN 71 N -0.27 0.00 -0.20 0.00 7.08 -1.43 -1.35 115.58 119.41 2jq6 h ASN 71 Ca 0.17 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.25 2jq6 h ASN 71 Cb 0.57 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.80 2jq6 h ASN 71 CO -0.59 0.46 -0.33 0.00 -2.08 0.00 0.00 177.43 174.88 2jq6 h ALA 72 N 1.54 0.80 -0.46 4.14 0.00 -1.31 -1.51 119.26 122.47 2jq6 h ALA 72 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2jq6 h ALA 72 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jq6 h ALA 72 CO 0.06 0.65 -0.19 0.87 0.00 0.00 0.00 179.25 180.63 2jq6 h LYS 73 N 0.60 0.90 -0.14 0.00 1.79 0.25 -1.59 116.57 118.39 2jq6 h LYS 73 Ca 0.06 -0.36 0.03 0.00 -2.18 0.00 0.00 60.65 58.21 2jq6 h LYS 73 Cb 0.86 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 2jq6 h LYS 73 CO 0.07 1.01 -0.07 0.87 -1.08 0.00 0.00 179.45 180.25 2jq6 h LYS 74 N 0.79 -0.06 0.02 3.15 1.79 -0.98 0.35 116.57 121.63 2jq6 h LYS 74 Ca 0.11 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2jq6 h LYS 74 Cb 0.74 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 2jq6 h LYS 74 CO 0.06 -0.04 -0.18 1.49 -1.08 0.00 0.00 179.45 179.69 2jq6 h GLU 75 N -0.07 -0.29 0.00 3.15 4.57 -1.04 0.11 114.58 121.00 2jq6 h GLU 75 Ca 0.08 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2jq6 h GLU 75 Cb 0.19 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2jq6 h GLU 75 CO -0.18 -0.20 -0.13 0.00 -1.18 0.00 0.00 179.01 177.33 2jq6 h MET 76 N -0.31 0.00 -0.12 1.92 -0.00 -1.14 -2.17 114.93 113.12 2jq6 h MET 76 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.67 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 -0.15 0.13 -0.24 0.28 -0.00 0.00 0.00 176.91 176.92 2jq6 h VAL 77 N 0.00 1.38 0.00 -0.10 2.07 0.32 -3.07 116.25 116.85 2jq6 h VAL 77 Ca -0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2jq6 h VAL 77 Cb 0.77 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2jq6 h VAL 77 CO 0.02 0.44 0.00 2.29 0.02 0.00 0.00 177.57 180.34 2jq6 n LYS 78 N -4.47 0.21 0.00 1.57 2.85 0.32 -1.36 118.16 117.28 2jq6 n LYS 78 Ca -0.07 0.41 0.03 0.00 -1.05 0.00 0.00 58.31 57.63 2jq6 n LYS 78 Cb 0.44 -1.88 0.18 0.00 -0.65 0.00 0.00 35.03 33.12 2jq6 n LYS 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jq6 n SER 79 N -2.27 0.00 -2.16 -5.58 7.64 -0.83 -4.87 113.62 105.54 2jq6 n SER 79 Ca 0.02 -0.09 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 2jq6 n SER 79 Cb 0.25 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jq6 n LYS 80 N -1.08 -0.68 -4.02 1.43 5.02 -0.46 -5.08 118.16 113.30 2jq6 n LYS 80 Ca 0.04 1.00 -0.08 0.00 -2.02 0.00 0.00 58.31 57.25 2jq6 n LYS 80 Cb 0.03 -3.36 -0.09 0.00 -0.02 0.00 0.00 35.03 31.59 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 -2.63 1.91 0.73 -0.35 1.43 -1.25 -5.10 118.68 113.42 2jq6 s LEU 81 Ca 0.02 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 2jq6 s LEU 81 Cb -0.01 0.56 0.06 0.00 0.03 0.00 0.00 46.19 46.83 2jq6 s LEU 81 CO 0.33 -0.69 1.08 -2.16 0.23 0.00 0.00 176.35 175.14 2jq6 s PRO 82 N -3.93 2.29 0.51 1.29 0.04 -1.26 -4.89 135.00 129.05 2jq6 s PRO 82 Ca 0.10 0.03 0.34 0.00 0.04 0.00 0.00 61.00 61.51 2jq6 s PRO 82 Cb 0.07 -2.07 1.72 0.00 0.04 0.00 0.00 34.50 34.25 2jq6 s PRO 82 CO -0.07 -1.29 2.04 -0.91 0.04 0.00 0.00 177.00 176.81 2jq6 h ASN 83 N -0.74 0.00 0.17 6.66 -0.26 -2.01 -1.31 115.58 118.09 2jq6 h ASN 83 Ca -0.45 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.28 2jq6 h ASN 83 Cb 1.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 2jq6 h ASN 83 CO 0.63 0.00 -0.08 0.74 -1.06 0.00 0.00 177.43 177.66 2jq6 h THR 84 N 0.00 0.00 -0.53 2.81 2.02 -1.98 0.34 112.91 115.57 2jq6 h THR 84 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2jq6 h THR 84 Cb 0.17 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2jq6 h THR 84 CO 0.00 0.00 0.33 0.58 0.37 0.00 0.00 175.52 176.80 2jq6 h VAL 85 N -0.28 1.15 -0.12 3.16 2.07 -1.93 -2.19 116.25 118.12 2jq6 h VAL 85 Ca -0.02 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2jq6 h VAL 85 Cb 0.17 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2jq6 h VAL 85 CO 0.04 0.15 -0.12 0.25 0.02 0.00 0.00 177.57 177.91 2jq6 h LEU 86 N 0.71 -0.37 -0.70 2.57 5.85 -1.34 0.27 115.31 122.30 2jq6 h LEU 86 Ca 0.19 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2jq6 h LEU 86 Cb -0.03 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2jq6 h LEU 86 CO -0.04 -0.16 0.45 1.23 -0.34 0.00 0.00 178.44 179.59 2jq6 h GLY 87 N -0.14 0.99 1.96 3.75 0.00 -0.69 -0.65 103.07 108.29 2jq6 h GLY 87 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jq6 h GLY 87 CO -0.20 0.32 -0.03 0.07 0.00 0.00 0.00 176.54 176.69 2jq6 h LYS 88 N 0.90 0.00 -0.10 4.80 2.10 -1.01 -1.91 116.57 121.36 2jq6 h LYS 88 Ca 0.27 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.84 2jq6 h LYS 88 Cb -0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 2jq6 h LYS 88 CO -0.08 0.00 -0.22 0.82 -2.00 0.00 0.00 179.45 177.97 2jq6 h ILE 89 N 0.00 1.40 0.07 0.07 2.04 0.31 -1.67 117.51 119.73 2jq6 h ILE 89 Ca 0.00 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.35 2jq6 h ILE 89 Cb 0.82 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 2jq6 h ILE 89 CO 0.00 0.44 -0.20 -0.25 0.00 0.00 0.00 178.15 178.14 2jq6 h TRP 90 N -0.13 -0.52 0.00 1.37 2.91 -1.01 0.69 115.95 119.25 2jq6 h TRP 90 Ca -0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2jq6 h TRP 90 Cb 0.82 0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 2jq6 h TRP 90 CO 0.11 -0.29 0.00 0.36 -1.03 0.00 0.00 178.44 177.60 2jq6 n LYS 91 N -5.33 0.20 0.02 2.65 2.85 -0.73 -0.42 118.16 117.40 2jq6 n LYS 91 Ca -0.06 0.34 0.03 0.00 -1.05 0.00 0.00 58.31 57.58 2jq6 n LYS 91 Cb 0.24 -1.82 -0.09 0.00 -0.65 0.00 0.00 35.03 32.70 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 -2.19 0.57 -0.01 -5.58 7.94 -0.63 -4.44 117.00 112.67 2jq6 n LEU 92 Ca 0.03 0.24 -0.22 0.00 -1.11 0.00 0.00 56.01 54.96 2jq6 n LEU 92 Cb 0.29 0.08 -0.13 0.00 0.53 0.00 0.00 43.42 44.19 2jq6 n LEU 92 CO 0.23 0.09 -0.66 0.00 -1.11 0.00 0.00 177.39 175.94 2jq6 h ALA 93 N 1.61 0.33 -2.04 1.96 0.00 -0.25 -3.44 119.26 117.43 2jq6 h ALA 93 Ca -0.14 -1.28 -0.67 0.00 0.00 0.00 0.00 54.91 52.82 2jq6 h ALA 93 Cb 1.42 0.66 -0.17 0.00 0.00 0.00 0.00 17.79 19.70 2jq6 h ALA 93 CO 0.02 1.07 0.16 0.34 0.00 0.00 0.00 179.25 180.84 2jq6 s ASP 94 N -7.02 6.25 0.33 0.00 2.15 0.44 -4.71 116.67 114.10 2jq6 s ASP 94 Ca -0.23 -0.80 0.15 0.00 0.43 0.00 0.00 52.55 52.11 2jq6 s ASP 94 Cb 0.06 -2.32 0.50 0.00 -0.30 0.00 0.00 42.92 40.86 2jq6 s ASP 94 CO 0.74 -0.96 1.66 0.58 -0.17 0.00 0.00 175.17 177.01 2jq6 h VAL 95 N 5.89 1.09 0.00 1.11 2.07 -1.85 -2.93 116.25 121.64 2jq6 h VAL 95 Ca -0.27 -1.83 -0.18 0.00 0.82 0.00 0.00 66.70 65.24 2jq6 h VAL 95 Cb 1.09 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2jq6 h VAL 95 CO 0.99 0.47 -1.30 0.44 0.02 0.00 0.00 177.57 178.19 2jq6 h ASP 96 N 0.00 0.00 -5.44 0.57 5.19 -1.95 -3.48 116.42 111.30 2jq6 h ASP 96 Ca -0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 2jq6 h ASP 96 Cb 1.03 0.00 0.19 0.00 0.18 0.00 0.00 39.33 40.73 2jq6 h ASP 96 CO 0.06 0.65 -0.84 0.29 -3.12 0.00 0.00 179.24 176.28 2jq6 n LYS 97 N -2.98 -2.73 0.07 3.56 5.02 -1.11 -4.95 118.16 115.04 2jq6 n LYS 97 Ca -0.08 0.86 -0.16 0.00 -2.02 0.00 0.00 58.31 56.90 2jq6 n LYS 97 Cb 0.86 -5.80 -0.14 0.00 -0.02 0.00 0.00 35.03 29.93 2jq6 n LYS 97 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2jq6 h ASP 98 N -1.16 0.37 0.00 4.39 3.32 -1.94 -3.47 116.42 117.93 2jq6 h ASP 98 Ca -0.60 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 55.96 2jq6 h ASP 98 Cb 1.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jq6 h ASP 98 CO 0.44 1.40 0.00 0.61 -1.72 0.00 0.00 179.24 179.97 2jq6 n GLY 99 N 1.63 0.93 3.63 2.75 0.00 -1.26 -5.05 105.19 107.82 2jq6 n GLY 99 Ca -0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.50 -0.19 0.99 0.05 -1.26 -0.59 118.68 118.18 2jq6 s LEU 100 Ca 0.00 -1.25 -0.07 0.00 0.05 0.00 0.00 54.13 52.86 2jq6 s LEU 100 Cb 0.00 2.05 0.09 0.00 -2.05 0.00 0.00 46.19 46.28 2jq6 s LEU 100 CO 0.00 -1.42 0.41 -0.76 -0.55 0.00 0.00 176.35 174.03 2jq6 s LEU 101 N -3.13 -0.60 0.00 1.48 1.43 -0.50 -4.78 118.68 112.57 2jq6 s LEU 101 Ca 0.23 0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.20 2jq6 s LEU 101 Cb -0.02 1.30 0.13 0.00 0.03 0.00 0.00 46.19 47.63 2jq6 s LEU 101 CO 0.15 -0.23 0.77 -0.90 0.23 0.00 0.00 176.35 176.37 2jq6 n ASP 102 N 5.35 0.12 0.03 2.29 5.68 -1.26 0.07 116.55 128.81 2jq6 n ASP 102 Ca -0.09 -1.31 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 2jq6 n ASP 102 Cb 0.50 -0.58 0.53 0.00 -1.14 0.00 0.00 41.12 40.43 2jq6 n ASP 102 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2jq6 h ASP 103 N -0.98 0.27 0.77 -1.12 2.03 -1.96 0.40 116.42 115.83 2jq6 h ASP 103 Ca -0.25 -0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.84 2jq6 h ASP 103 Cb 0.70 -0.06 -0.04 0.00 -0.83 0.00 0.00 39.33 39.10 2jq6 h ASP 103 CO 0.18 0.18 -1.35 -0.08 -1.03 0.00 0.00 179.24 177.14 2jq6 h GLU 104 N 0.31 0.00 0.00 4.15 4.57 -1.94 -2.23 114.58 119.44 2jq6 h GLU 104 Ca 0.18 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 2jq6 h GLU 104 Cb 0.31 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2jq6 h GLU 104 CO -0.04 0.50 -0.58 0.93 -1.18 0.00 0.00 179.01 178.64 2jq6 h GLU 105 N 0.00 0.00 -0.09 1.92 5.08 -1.44 0.13 114.58 120.18 2jq6 h GLU 105 Ca -0.16 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 2jq6 h GLU 105 Cb 1.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 2jq6 h GLU 105 CO 0.07 0.58 -0.75 0.35 -1.00 0.00 0.00 179.01 178.26 2jq6 h PHE 106 N 0.00 0.66 -0.53 4.33 3.04 -0.34 -0.13 116.94 123.97 2jq6 h PHE 106 Ca -0.01 -0.29 0.06 0.00 3.98 0.00 0.00 57.97 61.71 2jq6 h PHE 106 Cb 1.19 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.55 2jq6 h PHE 106 CO 0.00 1.07 0.25 0.00 -2.02 0.00 0.00 178.31 177.61 2jq6 h ALA 107 N 0.85 0.68 -0.04 2.41 0.00 -0.71 0.12 119.26 122.56 2jq6 h ALA 107 Ca -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jq6 h ALA 107 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jq6 h ALA 107 CO 0.13 -0.12 -0.08 1.25 0.00 0.00 0.00 179.25 180.44 2jq6 h LEU 108 N 0.47 0.14 -0.46 0.00 6.46 -1.00 -1.66 115.31 119.26 2jq6 h LEU 108 Ca 0.24 -0.56 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 2jq6 h LEU 108 Cb 0.19 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 39.99 2jq6 h LEU 108 CO -0.19 0.67 -0.41 0.00 -0.62 0.00 0.00 178.44 177.89 2jq6 h ALA 109 N 0.47 -0.34 0.00 1.25 0.00 -0.52 0.10 119.26 120.22 2jq6 h ALA 109 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jq6 h ALA 109 Cb 0.65 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2jq6 h ALA 109 CO 0.02 -0.82 -0.27 -0.97 0.00 0.00 0.00 179.25 177.21 2jq6 h ASN 110 N -0.28 0.00 -0.31 0.00 -0.73 -0.86 -1.79 115.58 111.61 2jq6 h ASN 110 Ca 0.16 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.20 2jq6 h ASN 110 Cb 0.57 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.16 2jq6 h ASN 110 CO -0.61 0.27 -0.31 -0.74 -0.37 0.00 0.00 177.43 175.67 2jq6 h HIS 111 N 0.00 0.92 0.00 0.67 2.76 0.06 -1.02 115.15 118.53 2jq6 h HIS 111 Ca -0.00 -0.27 -0.11 0.00 -2.20 0.00 0.00 60.37 57.79 2jq6 h HIS 111 Cb 0.87 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 2jq6 h HIS 111 CO 0.00 1.04 -0.50 -0.07 -1.30 0.00 0.00 177.93 177.10 2jq6 h LEU 112 N 0.53 0.00 -0.43 0.26 3.38 -0.76 -0.52 115.31 117.77 2jq6 h LEU 112 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jq6 h LEU 112 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2jq6 h LEU 112 CO 0.08 0.50 0.26 0.40 0.09 0.00 0.00 178.44 179.77 2jq6 h ILE 113 N 0.00 1.14 0.00 1.22 2.04 -0.98 1.00 117.51 121.92 2jq6 h ILE 113 Ca -0.01 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2jq6 h ILE 113 Cb 1.07 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2jq6 h ILE 113 CO 0.07 0.14 -0.09 0.07 0.00 0.00 0.00 178.15 178.34 2jq6 h LYS 114 N 0.57 0.00 -0.32 2.37 2.10 -0.99 -1.79 116.57 118.51 2jq6 h LYS 114 Ca 0.15 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.71 2jq6 h LYS 114 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2jq6 h LYS 114 CO -0.03 0.09 -0.16 0.28 -2.00 0.00 0.00 179.45 177.63 2jq6 h VAL 115 N 0.00 1.29 0.00 0.07 2.07 -0.52 -1.19 116.25 117.97 2jq6 h VAL 115 Ca -0.00 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 2jq6 h VAL 115 Cb 0.84 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2jq6 h VAL 115 CO 0.01 0.41 -0.38 0.07 0.02 0.00 0.00 177.57 177.71 2jq6 h LYS 116 N 0.44 0.00 0.00 1.57 2.10 -0.75 -2.52 116.57 117.41 2jq6 h LYS 116 Ca 0.07 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.68 2jq6 h LYS 116 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 2jq6 h LYS 116 CO 0.05 0.38 -0.21 1.25 -2.00 0.00 0.00 179.45 178.92 2jq6 h LEU 117 N 0.00 0.00 -0.92 7.07 6.46 -0.96 -1.97 115.31 124.99 2jq6 h LEU 117 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jq6 h LEU 117 Cb 0.75 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2jq6 h LEU 117 CO 0.05 0.21 0.03 -0.62 -0.62 0.00 0.00 178.44 177.49 2jq6 n GLU 118 N -3.47 0.09 0.00 1.25 -0.58 -0.48 -4.75 120.64 112.70 2jq6 n GLU 118 Ca -0.00 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 2jq6 n GLU 118 Cb 0.38 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 2jq6 n GLU 118 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jq6 n GLY 119 N -1.35 1.14 2.87 0.62 0.00 -0.75 -5.09 105.19 102.62 2jq6 n GLY 119 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 0.27 0.85 1.61 -3.43 -1.15 -5.10 115.29 106.34 2jq6 s HIS 120 Ca 0.00 -0.02 -0.11 0.00 -0.80 0.00 0.00 55.06 54.12 2jq6 s HIS 120 Cb 0.00 -0.27 0.10 0.00 -1.43 0.00 0.00 32.58 30.98 2jq6 s HIS 120 CO 0.00 -0.06 1.09 -1.83 -2.00 0.00 0.00 174.74 171.94 2jq6 s GLU 121 N 0.45 1.67 0.22 -0.38 -1.05 -1.26 -3.42 118.70 114.93 2jq6 s GLU 121 Ca -0.04 0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 55.26 2jq6 s GLU 121 Cb -0.07 -1.86 -0.08 0.00 -0.44 0.00 0.00 34.13 31.68 2jq6 s GLU 121 CO -0.01 -1.94 1.12 -0.51 0.95 0.00 0.00 175.26 174.87 2jq6 s LEU 122 N -6.02 4.50 -0.05 1.83 1.43 -1.26 -4.89 118.68 114.23 2jq6 s LEU 122 Ca 0.62 2.18 0.10 0.00 -1.03 0.00 0.00 54.13 56.00 2jq6 s LEU 122 Cb -0.16 -3.61 0.37 0.00 0.03 0.00 0.00 46.19 42.81 2jq6 s LEU 122 CO 0.56 -0.22 1.23 -0.81 0.23 0.00 0.00 176.35 177.33 2jq6 n PRO 123 N 1.97 2.31 -1.76 1.29 -0.04 -1.26 -4.87 135.00 132.64 2jq6 n PRO 123 Ca 0.02 -1.46 -0.18 0.00 -0.04 0.00 0.00 63.50 61.83 2jq6 n PRO 123 Cb 0.45 -1.53 -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 0.50 -0.35 -2.53 0.55 0.00 -1.26 -4.98 120.51 112.44 2jq6 n ALA 124 Ca 0.13 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2jq6 n ALA 124 Cb 0.48 -1.90 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.63 4.30 -0.28 0.00 2.15 -1.26 -5.09 116.67 113.85 2jq6 s ASP 125 Ca 0.00 -0.14 0.03 0.00 0.43 0.00 0.00 52.55 52.87 2jq6 s ASP 125 Cb 0.00 -0.98 0.08 0.00 -0.30 0.00 0.00 42.92 41.72 2jq6 s ASP 125 CO 0.00 0.34 -0.04 -0.22 -0.17 0.00 0.00 175.17 175.08 2jq6 s LEU 126 N -0.87 3.68 0.35 -1.34 0.20 -1.26 -5.10 118.68 114.34 2jq6 s LEU 126 Ca 0.13 -1.62 -0.20 0.00 0.69 0.00 0.00 54.13 53.12 2jq6 s LEU 126 Cb -0.11 -1.48 -0.10 0.00 -0.43 0.00 0.00 46.19 44.07 2jq6 s LEU 126 CO 0.02 -0.27 0.85 -2.16 -0.29 0.00 0.00 176.35 174.50 2jq6 s PRO 127 N 1.11 4.24 0.23 0.98 0.05 -1.26 -4.95 135.00 135.39 2jq6 s PRO 127 Ca -0.01 1.00 0.18 0.00 0.05 0.00 0.00 61.00 62.22 2jq6 s PRO 127 Cb -0.19 -2.47 0.89 0.00 0.05 0.00 0.00 34.50 32.77 2jq6 s PRO 127 CO -0.07 0.15 1.55 -0.35 0.05 0.00 0.00 177.00 178.33 2jq6 n PRO 128 N -0.13 0.12 -0.94 0.56 -0.04 -1.26 -0.86 135.00 132.46 2jq6 n PRO 128 Ca 0.04 0.53 -0.05 0.00 -0.04 0.00 0.00 63.50 63.97 2jq6 n PRO 128 Cb 0.53 -1.82 0.28 0.00 -0.04 0.00 0.00 33.50 32.44 2jq6 n PRO 128 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2jq6 n HIS 129 N -2.07 2.27 -1.62 0.54 1.44 -1.26 -4.00 115.22 110.52 2jq6 n HIS 129 Ca 0.00 -1.10 0.00 0.00 -2.01 0.00 0.00 57.72 54.61 2jq6 n HIS 129 Cb 0.09 -0.65 0.00 0.00 0.12 0.00 0.00 29.99 29.55 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 -0.09 0.00 -4.71 2.39 0.00 -0.04 -4.47 117.00 110.09 2jq6 n LEU 130 Ca 0.37 -0.45 -0.38 0.00 0.00 0.00 0.00 56.01 55.55 2jq6 n LEU 130 Cb 1.30 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 44.66 2jq6 n LEU 130 CO 0.40 0.34 0.19 0.68 0.00 0.00 0.00 177.39 179.00 2jq6 s VAL 131 N 0.00 5.17 0.56 1.96 -7.23 -1.13 -4.89 120.40 114.82 2jq6 s VAL 131 Ca 0.00 0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 60.92 2jq6 s VAL 131 Cb 0.00 -3.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.06 2jq6 s VAL 131 CO 0.00 0.29 0.98 -2.65 -0.31 0.00 0.00 175.10 173.40 2jq6 n PRO 132 N 3.97 1.04 -0.34 4.82 -0.02 -1.26 -4.68 135.00 138.53 2jq6 n PRO 132 Ca -0.06 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2jq6 n PRO 132 Cb 0.51 -2.14 0.25 0.00 -0.02 0.00 0.00 33.50 32.10 2jq6 n PRO 132 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jq6 n PRO 133 N -0.69 -0.08 0.28 0.52 -0.02 -1.26 0.03 135.00 133.79 2jq6 n PRO 133 Ca 0.12 1.48 0.17 0.00 -2.02 0.00 0.00 63.50 63.25 2jq6 n PRO 133 Cb 0.45 -2.31 0.95 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.00 -0.32 2.55 0.87 -2.03 -2.66 113.55 111.96 2jq6 h SER 134 Ca 0.56 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.89 2jq6 h SER 134 Cb 1.11 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.87 2jq6 h SER 134 CO -0.94 0.00 -0.66 2.29 -0.53 0.00 0.00 176.83 176.99 2jq6 n LYS 135 N -3.63 2.38 -1.88 2.24 0.00 0.10 -4.94 118.16 112.44 2jq6 n LYS 135 Ca -0.02 -3.63 -0.31 0.00 -0.00 0.00 0.00 58.31 54.36 2jq6 n LYS 135 Cb 0.16 -1.85 -0.06 0.00 -0.00 0.00 0.00 35.03 33.29 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 -0.90 1.54 -3.64 -1.58 1.85 -1.01 -4.75 116.66 108.18 2jq6 n ARG 136 Ca 0.29 -2.33 -0.09 0.00 -1.00 0.00 0.00 57.85 54.72 2jq6 n ARG 136 Cb 0.82 -3.58 -0.07 0.00 -1.05 0.00 0.00 32.46 28.58 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 6.25 0.66 -0.41 2.89 1.70 -1.26 -5.12 118.95 123.67 2jq6 s ARG 137 Ca 0.67 0.98 -0.10 0.00 -0.47 0.00 0.00 55.73 56.81 2jq6 s ARG 137 Cb 0.02 0.22 0.07 0.00 -0.57 0.00 0.00 34.95 34.69 2jq6 s ARG 137 CO 0.14 -0.11 0.25 -1.58 -1.08 0.00 0.00 175.30 172.91 2jq6 s HIS 138 N 1.03 3.31 0.00 5.89 2.46 -1.26 -5.02 115.29 121.70 2jq6 s HIS 138 Ca -0.05 -1.38 0.00 0.00 0.47 0.00 0.00 55.06 54.10 2jq6 s HIS 138 Cb -0.05 -2.82 0.00 0.00 -0.13 0.00 0.00 32.58 29.58 2jq6 s HIS 138 CO -0.11 -0.80 0.49 0.39 -2.47 0.00 0.00 174.74 172.24