#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 -0.05 -6.97 1.61 0.11 -2.10 -3.44 132.00 121.17 2jq6 h PRO 2 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.59 2jq6 h PRO 2 Cb 0.00 0.01 0.09 0.00 0.11 0.00 0.00 31.00 31.21 2jq6 h PRO 2 CO 0.00 -0.02 0.60 -0.48 -0.21 0.00 0.00 178.00 177.88 2jq6 s LEU 3 N -10.17 4.12 0.00 2.35 0.05 -1.26 -2.58 118.68 111.19 2jq6 s LEU 3 Ca -0.13 2.63 0.00 0.00 0.05 0.00 0.00 54.13 56.68 2jq6 s LEU 3 Cb 0.06 -4.02 0.00 0.00 -2.05 0.00 0.00 46.19 40.18 2jq6 s LEU 3 CO 0.66 -0.99 0.00 0.61 -0.55 0.00 0.00 176.35 176.08 2jq6 n GLY 4 N 0.63 1.91 3.58 -3.48 0.00 -1.26 -5.05 105.19 101.53 2jq6 n GLY 4 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2jq6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jq6 s SER 5 N -0.27 6.47 -0.11 1.61 0.01 -1.07 -5.04 113.70 115.30 2jq6 s SER 5 Ca 0.00 0.28 -0.19 0.00 1.31 0.00 0.00 55.95 57.35 2jq6 s SER 5 Cb 0.00 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2jq6 s SER 5 CO 0.00 -0.57 0.53 -1.61 0.41 0.00 0.00 173.24 172.00 2jq6 s GLU 6 N 2.72 4.36 -0.44 12.44 0.41 -1.26 -5.04 118.70 131.89 2jq6 s GLU 6 Ca 0.26 0.54 -0.23 0.00 -0.41 0.00 0.00 54.97 55.13 2jq6 s GLU 6 Cb -0.14 -3.44 0.02 0.00 -1.78 0.00 0.00 34.13 28.79 2jq6 s GLU 6 CO 0.14 0.13 0.79 0.45 -0.49 0.00 0.00 175.26 176.28 2jq6 s SER 7 N 0.67 6.44 -0.45 -0.19 0.15 -1.26 -5.02 113.70 114.05 2jq6 s SER 7 Ca 0.28 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 2jq6 s SER 7 Cb -0.16 -2.39 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2jq6 s SER 7 CO 0.12 -0.89 0.38 -0.22 1.20 0.00 0.00 173.24 173.82 2jq6 s LEU 8 N 3.29 5.33 -0.33 3.45 2.96 -1.26 -5.05 118.68 127.07 2jq6 s LEU 8 Ca 0.30 -1.09 -0.16 0.00 -0.22 0.00 0.00 54.13 52.97 2jq6 s LEU 8 Cb -0.12 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 2jq6 s LEU 8 CO 0.22 -0.58 0.43 -0.04 -1.32 0.00 0.00 176.35 175.05 2jq6 s MET 9 N 1.76 3.68 0.42 1.98 -1.94 -1.26 -4.97 119.30 118.97 2jq6 s MET 9 Ca 0.06 -0.22 0.10 0.00 -1.71 0.00 0.00 55.69 53.92 2jq6 s MET 9 Cb -0.21 -3.78 0.89 0.00 2.01 0.00 0.00 34.83 33.74 2jq6 s MET 9 CO 0.09 -0.52 2.00 -1.35 -0.01 0.00 0.00 175.02 175.23 2jq6 h PRO 10 N 8.40 0.30 -4.15 2.03 0.11 -2.06 -3.36 132.00 133.26 2jq6 h PRO 10 Ca -0.29 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.11 2jq6 h PRO 10 Cb 1.14 -0.05 -0.39 0.00 0.11 0.00 0.00 31.00 31.81 2jq6 h PRO 10 CO 0.72 0.31 -0.62 0.45 -0.21 0.00 0.00 178.00 178.64 2jq6 s SER 11 N -6.85 4.77 -0.33 -2.05 0.15 -1.26 -5.00 113.70 103.13 2jq6 s SER 11 Ca -0.06 -2.47 -0.01 0.00 0.70 0.00 0.00 55.95 54.11 2jq6 s SER 11 Cb 0.16 -1.69 0.13 0.00 -1.71 0.00 0.00 66.02 62.91 2jq6 s SER 11 CO 0.72 -0.36 0.19 -1.58 1.20 0.00 0.00 173.24 173.41 2jq6 s GLN 12 N 0.48 0.44 -0.54 5.44 0.74 -1.26 -5.10 119.66 119.86 2jq6 s GLN 12 Ca 0.13 -1.07 -0.22 0.00 0.05 0.00 0.00 55.36 54.25 2jq6 s GLN 12 Cb -0.22 -1.24 0.05 0.00 1.10 0.00 0.00 33.01 32.70 2jq6 s GLN 12 CO -0.05 -1.15 0.80 0.08 -0.55 0.00 0.00 175.29 174.43 2jq6 s VAL 13 N 1.39 4.60 -0.32 1.34 1.01 -1.26 -5.01 120.40 122.16 2jq6 s VAL 13 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2jq6 s VAL 13 Cb -0.21 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 31.78 2jq6 s VAL 13 CO -0.11 -1.01 0.04 -0.69 0.00 0.00 0.00 175.10 173.34 2jq6 s VAL 14 N 3.37 3.22 -0.20 2.92 1.01 -1.26 -5.05 120.40 124.40 2jq6 s VAL 14 Ca 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.84 2jq6 s VAL 14 Cb -0.16 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.40 2jq6 s VAL 14 CO 0.15 -0.17 -0.06 -0.54 0.00 0.00 0.00 175.10 174.48 2jq6 s LYS 15 N 1.28 1.61 -0.53 2.72 1.02 -1.26 -5.10 119.74 119.48 2jq6 s LYS 15 Ca -0.03 -0.77 -0.21 0.00 0.02 0.00 0.00 55.97 54.98 2jq6 s LYS 15 Cb -0.20 -2.34 0.06 0.00 -0.52 0.00 0.00 37.83 34.83 2jq6 s LYS 15 CO -0.00 -0.51 0.72 0.20 -0.92 0.00 0.00 175.35 174.85 2jq6 s GLY 16 N 1.50 1.66 0.00 -3.33 0.00 -1.26 -4.05 107.32 101.84 2jq6 s GLY 16 Ca -0.02 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2jq6 s GLY 16 CO -0.07 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.29 2jq6 n GLY 17 N 5.17 0.63 3.50 0.20 0.00 -1.26 -4.97 105.19 108.46 2jq6 n GLY 17 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.64 3.18 0.26 4.61 0.00 -1.26 -5.02 121.76 120.89 2jq6 s ALA 18 Ca 0.00 -1.43 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 2jq6 s ALA 18 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 2jq6 s ALA 18 CO 0.00 -2.42 0.91 -0.06 0.00 0.00 0.00 175.76 174.20 2jq6 s PHE 19 N 3.80 3.85 0.11 0.00 0.08 -1.26 -4.99 117.98 119.57 2jq6 s PHE 19 Ca 0.27 1.81 0.10 0.00 0.12 0.00 0.00 56.93 59.22 2jq6 s PHE 19 Cb -0.14 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 2jq6 s PHE 19 CO 0.16 0.36 -0.25 0.34 -0.10 0.00 0.00 175.22 175.74 2jq6 s ASP 20 N -1.37 3.01 -0.33 1.36 -1.08 -1.26 -5.11 116.67 111.89 2jq6 s ASP 20 Ca 0.44 -0.70 -0.16 0.00 -0.52 0.00 0.00 52.55 51.61 2jq6 s ASP 20 Cb -0.22 -0.20 -0.01 0.00 -1.46 0.00 0.00 42.92 41.02 2jq6 s ASP 20 CO 0.28 0.15 0.41 -0.83 0.52 0.00 0.00 175.17 175.70 2jq6 s GLY 21 N -1.88 1.87 -0.42 2.66 0.00 -1.26 -5.03 107.32 103.26 2jq6 s GLY 21 Ca 0.11 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 43.53 2jq6 s GLY 21 CO 0.05 1.08 0.75 -0.51 0.00 0.00 0.00 173.10 174.47 2jq6 s THR 22 N 2.15 4.72 0.17 0.90 -4.23 -1.26 -5.02 115.64 113.07 2jq6 s THR 22 Ca 0.15 0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 60.85 2jq6 s THR 22 Cb -0.16 -4.25 -0.09 0.00 1.34 0.00 0.00 72.50 69.33 2jq6 s THR 22 CO 0.12 -0.59 1.49 -0.04 -0.54 0.00 0.00 174.62 175.05 2jq6 s MET 23 N 3.12 4.26 -0.03 3.99 -1.94 -1.26 -5.02 119.30 122.42 2jq6 s MET 23 Ca 0.29 2.27 0.07 0.00 -1.71 0.00 0.00 55.69 56.60 2jq6 s MET 23 Cb -0.13 -3.17 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 2jq6 s MET 23 CO 0.20 -0.51 -0.23 0.54 -0.01 0.00 0.00 175.02 175.01 2jq6 s ASN 24 N 0.94 3.30 0.00 3.03 4.22 -1.26 -4.75 114.94 120.43 2jq6 s ASN 24 Ca 0.66 -0.40 0.00 0.00 -2.14 0.00 0.00 52.86 50.98 2jq6 s ASN 24 Cb -0.41 -0.47 0.00 0.00 1.28 0.00 0.00 41.25 41.65 2jq6 s ASN 24 CO 0.34 0.33 0.00 0.61 -2.04 0.00 0.00 177.10 176.33 2jq6 n GLY 25 N 2.39 1.05 3.69 0.45 0.00 -1.26 -5.09 105.19 106.42 2jq6 n GLY 25 Ca -0.16 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2jq6 n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jq6 s PRO 26 N 0.00 4.28 -0.39 1.61 0.02 -1.26 -5.01 135.00 134.25 2jq6 s PRO 26 Ca 0.00 1.96 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 2jq6 s PRO 26 Cb 0.00 -3.59 0.01 0.00 0.02 0.00 0.00 34.50 30.94 2jq6 s PRO 26 CO 0.00 -0.59 0.28 -0.06 -0.33 0.00 0.00 177.00 176.31 2jq6 s PHE 27 N 2.49 3.24 0.52 6.54 0.08 -1.26 -5.07 117.98 124.52 2jq6 s PHE 27 Ca 0.64 -0.49 -0.17 0.00 0.12 0.00 0.00 56.93 57.03 2jq6 s PHE 27 Cb -0.31 -2.56 -0.07 0.00 -0.57 0.00 0.00 43.02 39.51 2jq6 s PHE 27 CO 0.26 -0.53 1.00 0.20 -0.10 0.00 0.00 175.22 176.06 2jq6 s GLY 28 N 1.69 2.15 -0.12 4.36 0.00 -1.26 -5.02 107.32 109.12 2jq6 s GLY 28 Ca 0.05 0.29 -0.27 0.00 0.00 0.00 0.00 44.72 44.80 2jq6 s GLY 28 CO 0.10 0.58 0.89 0.30 0.00 0.00 0.00 173.10 174.97 2jq6 s HIS 29 N -2.48 3.49 -0.17 1.90 3.76 -1.26 -5.03 115.29 115.50 2jq6 s HIS 29 Ca 0.61 1.40 -0.06 0.00 -0.15 0.00 0.00 55.06 56.86 2jq6 s HIS 29 Cb -0.12 -3.06 0.08 0.00 1.11 0.00 0.00 32.58 30.59 2jq6 s HIS 29 CO 0.30 -0.18 0.36 0.20 -0.85 0.00 0.00 174.74 174.57 2jq6 s GLY 30 N 1.08 -0.27 0.26 -2.22 0.00 -1.26 -5.15 107.32 99.76 2jq6 s GLY 30 Ca 0.43 1.32 0.03 0.00 0.00 0.00 0.00 44.72 46.49 2jq6 s GLY 30 CO 0.16 2.16 0.05 -2.52 0.00 0.00 0.00 173.10 172.95 2jq6 s TYR 31 N 2.38 1.65 -0.73 1.90 -0.85 -1.26 -5.06 117.35 115.38 2jq6 s TYR 31 Ca -0.02 -1.03 -0.26 0.00 -0.52 0.00 0.00 57.07 55.24 2jq6 s TYR 31 Cb -0.12 -1.00 -0.08 0.00 0.38 0.00 0.00 41.96 41.14 2jq6 s TYR 31 CO -0.11 -0.14 2.20 0.20 -1.52 0.00 0.00 175.55 176.18 2jq6 s GLY 32 N -3.35 -0.32 0.42 5.49 0.00 -1.26 -4.93 107.32 103.36 2jq6 s GLY 32 Ca 0.34 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.26 2jq6 s GLY 32 CO 0.12 3.89 0.62 -1.83 0.00 0.00 0.00 173.10 175.90 2jq6 s GLU 33 N 7.97 3.13 -0.34 2.90 4.04 -1.26 -5.08 118.70 130.06 2jq6 s GLU 33 Ca 0.83 -0.55 -0.01 0.00 0.04 0.00 0.00 54.97 55.29 2jq6 s GLU 33 Cb -0.12 -2.61 0.08 0.00 0.02 0.00 0.00 34.13 31.50 2jq6 s GLU 33 CO 0.11 -0.16 0.08 0.20 -1.84 0.00 0.00 175.26 173.65 2jq6 s GLY 34 N -4.18 1.87 -0.48 -3.83 0.00 -1.26 -5.06 107.32 94.37 2jq6 s GLY 34 Ca 0.47 -2.19 -0.45 0.00 0.00 0.00 0.00 44.72 42.55 2jq6 s GLY 34 CO 0.37 0.86 1.67 0.00 0.00 0.00 0.00 173.10 175.99 2jq6 n ALA 35 N 4.53 -0.94 -2.68 3.20 0.00 -1.26 -4.91 120.51 118.45 2jq6 n ALA 35 Ca -0.06 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.41 2jq6 n ALA 35 Cb 0.42 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 3.60 2.33 0.28 0.00 0.00 -1.26 -5.10 107.32 107.17 2jq6 s GLY 36 Ca 1.05 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.36 2jq6 s GLY 36 CO 0.75 -0.10 0.39 -2.21 0.00 0.00 0.00 173.10 171.93 2jq6 n GLU 37 N 1.91 0.50 -1.67 2.90 2.13 -1.26 -4.94 120.64 120.22 2jq6 n GLU 37 Ca -0.17 -1.20 -0.41 0.00 0.66 0.00 0.00 57.16 56.04 2jq6 n GLU 37 Cb 0.54 -0.21 -0.02 0.00 0.27 0.00 0.00 31.44 32.01 2jq6 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jq6 n GLY 38 N 1.89 3.28 3.71 8.31 0.00 -1.26 -4.93 105.19 116.20 2jq6 n GLY 38 Ca 0.07 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 2jq6 n GLY 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jq6 n ILE 39 N 5.79 3.26 -2.28 -0.61 -5.35 -1.26 -4.83 119.36 114.07 2jq6 n ILE 39 Ca 0.50 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 2jq6 n ILE 39 Cb 0.41 -1.59 -0.03 0.00 -1.74 0.00 0.00 39.64 36.69 2jq6 n ILE 39 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2jq6 n ASP 40 N -0.46 4.04 -4.02 7.28 8.00 -1.26 -4.84 116.55 125.29 2jq6 n ASP 40 Ca 0.09 -2.82 -0.31 0.00 0.71 0.00 0.00 54.79 52.46 2jq6 n ASP 40 Cb 0.43 -1.72 -0.15 0.00 -0.02 0.00 0.00 41.12 39.65 2jq6 n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jq6 s ASP 41 N 5.14 4.37 0.12 -2.24 2.15 -1.26 -5.11 116.67 119.84 2jq6 s ASP 41 Ca 0.60 -1.50 -0.30 0.00 0.43 0.00 0.00 52.55 51.78 2jq6 s ASP 41 Cb 0.03 -1.46 -0.06 0.00 -0.30 0.00 0.00 42.92 41.12 2jq6 s ASP 41 CO 0.10 -0.24 1.05 0.54 -0.17 0.00 0.00 175.17 176.44 2jq6 s VAL 42 N 1.14 4.22 -0.12 1.11 0.11 -1.26 -5.03 120.40 120.58 2jq6 s VAL 42 Ca -0.04 1.82 -0.05 0.00 -2.93 0.00 0.00 61.98 60.78 2jq6 s VAL 42 Cb -0.19 -4.16 0.06 0.00 -1.53 0.00 0.00 36.38 30.55 2jq6 s VAL 42 CO -0.06 0.27 0.25 -0.70 -3.33 0.00 0.00 175.10 171.52 2jq6 s GLU 43 N 0.05 0.17 0.03 1.54 2.12 -1.26 -5.14 118.70 116.21 2jq6 s GLU 43 Ca 0.50 0.64 -0.20 0.00 0.36 0.00 0.00 54.97 56.27 2jq6 s GLU 43 Cb -0.26 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 33.98 2jq6 s GLU 43 CO 0.32 -0.23 0.57 -0.46 -0.54 0.00 0.00 175.26 174.92 2jq6 s TRP 44 N 1.91 3.74 -0.89 5.30 -0.00 -1.26 -4.95 118.94 122.79 2jq6 s TRP 44 Ca -0.03 1.22 0.07 0.00 -0.00 0.00 0.00 56.10 57.36 2jq6 s TRP 44 Cb -0.11 -2.54 0.33 0.00 -0.00 0.00 0.00 33.47 31.14 2jq6 s TRP 44 CO -0.08 0.47 1.22 0.28 -0.00 0.00 0.00 176.95 178.83 2jq6 n VAL 45 N 2.25 1.60 0.69 5.86 0.31 -1.26 -1.31 118.33 126.46 2jq6 n VAL 45 Ca -0.09 0.45 0.12 0.00 -0.01 0.00 0.00 64.34 64.82 2jq6 n VAL 45 Cb 0.51 -1.39 0.21 0.00 -0.91 0.00 0.00 33.84 32.25 2jq6 n VAL 45 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2jq6 n VAL 46 N -1.62 0.25 0.46 2.52 0.31 -1.26 -3.08 118.33 115.91 2jq6 n VAL 46 Ca 0.01 -0.20 0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2jq6 n VAL 46 Cb 0.06 -0.05 0.42 0.00 -0.91 0.00 0.00 33.84 33.35 2jq6 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jq6 n GLY 47 N 1.38 -1.18 0.03 2.92 0.00 -0.43 -1.04 105.19 106.89 2jq6 n GLY 47 Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.92 2.22 -0.18 1.61 2.85 -1.22 -4.59 118.16 116.92 2jq6 n LYS 48 Ca 0.03 -0.02 0.07 0.00 -1.05 0.00 0.00 58.31 57.34 2jq6 n LYS 48 Cb 0.21 -1.22 0.17 0.00 -0.65 0.00 0.00 35.03 33.54 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 -2.22 2.99 -0.14 -5.58 2.03 -1.18 -4.60 116.55 107.84 2jq6 n ASP 49 Ca -0.12 -1.93 -0.05 0.00 0.52 0.00 0.00 54.79 53.21 2jq6 n ASP 49 Cb 0.68 -0.24 0.04 0.00 -0.72 0.00 0.00 41.12 40.88 2jq6 n ASP 49 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2jq6 h LYS 50 N 2.53 0.41 -0.84 -0.67 3.64 -1.34 -2.22 116.57 118.08 2jq6 h LYS 50 Ca 0.00 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.60 2jq6 h LYS 50 Cb 0.75 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2jq6 h LYS 50 CO 0.00 0.27 0.69 -1.00 -2.27 0.00 0.00 179.45 177.14 2jq6 h PRO 51 N 0.42 0.00 -0.17 1.90 0.13 -1.85 0.42 132.00 132.85 2jq6 h PRO 51 Ca 0.20 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.17 2jq6 h PRO 51 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2jq6 h PRO 51 CO -0.16 0.00 -0.51 1.15 -0.23 0.00 0.00 178.00 178.25 2jq6 h THR 52 N 0.00 1.32 0.00 1.56 2.02 -1.75 0.13 112.91 116.20 2jq6 h THR 52 Ca 0.40 -1.75 -0.09 0.00 0.77 0.00 0.00 66.41 65.73 2jq6 h THR 52 Cb 1.77 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 2jq6 h THR 52 CO -0.00 0.54 -0.45 1.88 0.37 0.00 0.00 175.52 177.86 2jq6 h TYR 53 N 0.33 0.00 0.11 3.16 0.05 -0.63 -2.70 116.97 117.29 2jq6 h TYR 53 Ca -0.01 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.49 2jq6 h TYR 53 Cb 1.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 2jq6 h TYR 53 CO 0.09 0.45 -1.32 0.22 -1.05 0.00 0.00 178.16 176.56 2jq6 h ASP 54 N 0.00 0.35 -0.59 3.88 3.58 -0.29 -1.59 116.42 121.76 2jq6 h ASP 54 Ca -0.00 -0.41 -0.09 0.00 0.42 0.00 0.00 57.03 56.94 2jq6 h ASP 54 Cb 1.32 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2jq6 h ASP 54 CO 0.06 1.33 0.01 1.05 -2.88 0.00 0.00 179.24 178.81 2jq6 h GLU 55 N 0.06 1.04 0.00 0.28 4.11 -0.70 -0.72 114.58 118.65 2jq6 h GLU 55 Ca -0.16 -0.33 -0.09 0.00 0.07 0.00 0.00 59.36 58.85 2jq6 h GLU 55 Cb 1.96 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 2jq6 h GLU 55 CO 0.18 1.02 -0.45 0.82 0.07 0.00 0.00 179.01 180.65 2jq6 h ILE 56 N 0.94 1.27 0.71 -1.06 2.04 -1.54 -2.42 117.51 117.45 2jq6 h ILE 56 Ca 0.17 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 2jq6 h ILE 56 Cb 0.55 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2jq6 h ILE 56 CO 0.03 0.44 -0.41 0.15 0.00 0.00 0.00 178.15 178.36 2jq6 h PHE 57 N 0.00 -1.10 0.00 1.37 3.57 -0.27 -1.41 116.94 119.10 2jq6 h PHE 57 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2jq6 h PHE 57 Cb 0.82 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 2jq6 h PHE 57 CO 0.00 -0.64 -0.11 1.88 -2.23 0.00 0.00 178.31 177.22 2jq6 h TYR 58 N -1.06 0.00 0.00 0.41 -1.99 -1.19 -1.83 116.97 111.31 2jq6 h TYR 58 Ca -0.09 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 2jq6 h TYR 58 Cb 0.84 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 2jq6 h TYR 58 CO -0.08 0.11 -0.34 1.15 -0.00 0.00 0.00 178.16 178.99 2jq6 h THR 59 N 0.00 0.88 -0.13 -2.88 2.02 -0.97 -2.62 112.91 109.22 2jq6 h THR 59 Ca -0.00 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.81 2jq6 h THR 59 Cb 0.43 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2jq6 h THR 59 CO 0.01 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.42 2jq6 n LEU 60 N -3.61 1.32 -2.46 2.58 4.77 -0.57 -4.97 117.00 114.06 2jq6 n LEU 60 Ca -0.01 -0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 55.38 2jq6 n LEU 60 Cb 0.46 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2jq6 n LEU 60 CO 0.36 0.28 -0.03 -0.24 -1.33 0.00 0.00 177.39 176.43 2jq6 n SER 61 N 0.09 -6.34 -4.84 -1.43 2.88 -0.99 -4.94 113.62 98.05 2jq6 n SER 61 Ca 0.16 0.50 -0.32 0.00 -1.33 0.00 0.00 58.87 57.88 2jq6 n SER 61 Cb 0.28 -4.20 -0.04 0.00 -0.75 0.00 0.00 64.21 59.50 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 -2.01 3.99 -0.12 -1.46 0.04 -1.26 -4.68 135.00 129.51 2jq6 s PRO 62 Ca 0.15 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2jq6 s PRO 62 Cb -0.04 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2jq6 s PRO 62 CO 0.56 -0.14 -0.22 0.14 0.04 0.00 0.00 177.00 177.38 2jq6 s VAL 63 N -2.42 1.99 -2.01 -0.36 -7.23 0.18 -4.69 120.40 105.84 2jq6 s VAL 63 Ca 0.58 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2jq6 s VAL 63 Cb -0.10 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.10 2jq6 s VAL 63 CO 0.26 0.54 0.00 0.59 -0.31 0.00 0.00 175.10 176.18 2jq6 n ASN 64 N 3.89 -5.55 0.00 4.85 3.02 -1.26 -1.90 115.26 118.31 2jq6 n ASN 64 Ca -0.20 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2jq6 n ASN 64 Cb 0.52 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 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 -0.66 0.98 3.54 7.41 0.00 -1.26 -5.07 105.19 110.12 2jq6 n GLY 65 Ca -0.22 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.09 1.01 -0.03 1.61 0.00 -0.80 -3.47 119.74 115.97 2jq6 s LYS 66 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 55.97 56.09 2jq6 s LYS 66 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2jq6 s LYS 66 CO 0.00 -0.29 0.73 0.96 0.00 0.00 0.00 175.35 176.74 2jq6 s ILE 67 N -0.96 4.95 -0.17 3.79 -4.36 0.79 0.47 121.20 125.71 2jq6 s ILE 67 Ca -0.09 1.51 -0.29 0.00 -0.26 0.00 0.00 60.65 61.53 2jq6 s ILE 67 Cb -0.01 -4.07 -0.06 0.00 1.25 0.00 0.00 42.46 39.57 2jq6 s ILE 67 CO 0.08 0.28 2.17 0.35 0.24 0.00 0.00 174.94 178.07 2jq6 n THR 68 N 3.48 0.43 -0.35 8.37 -2.24 -1.26 -1.43 114.28 121.28 2jq6 n THR 68 Ca -0.01 -0.39 0.36 0.00 -2.27 0.00 0.00 64.05 61.73 2jq6 n THR 68 Cb 0.51 -2.49 0.62 0.00 -2.10 0.00 0.00 70.33 66.87 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 14.07 0.00 -0.06 3.38 0.00 -1.38 0.32 103.07 119.40 2jq6 h GLY 69 Ca -0.43 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.20 2jq6 h GLY 69 CO 0.96 0.00 0.73 0.00 0.00 0.00 0.00 176.54 178.23 2jq6 h ALA 70 N 0.86 2.87 0.20 3.60 0.00 -1.87 0.29 119.26 125.23 2jq6 h ALA 70 Ca 0.61 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 55.17 2jq6 h ALA 70 Cb 2.95 0.07 0.02 0.00 0.00 0.00 0.00 17.79 20.83 2jq6 h ALA 70 CO -0.01 -1.18 -1.46 -2.95 0.00 0.00 0.00 179.25 173.65 2jq6 h ASN 71 N 0.06 0.68 0.07 0.00 7.08 -1.26 -1.63 115.58 120.56 2jq6 h ASN 71 Ca 0.50 -0.77 -0.12 0.00 -3.08 0.00 0.00 56.30 52.83 2jq6 h ASN 71 Cb 1.89 -0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 37.90 2jq6 h ASN 71 CO -0.04 1.61 -0.41 0.00 -2.08 0.00 0.00 177.43 176.51 2jq6 h ALA 72 N 0.29 0.94 -0.70 4.14 0.00 -1.43 -1.60 119.26 120.90 2jq6 h ALA 72 Ca -0.24 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 2jq6 h ALA 72 Cb 2.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2jq6 h ALA 72 CO 0.24 0.63 0.20 0.87 0.00 0.00 0.00 179.25 181.19 2jq6 h LYS 73 N 0.36 1.08 -0.33 0.00 1.79 -0.50 -1.71 116.57 117.27 2jq6 h LYS 73 Ca 0.03 -0.24 0.05 0.00 -2.18 0.00 0.00 60.65 58.32 2jq6 h LYS 73 Cb 0.88 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 31.33 2jq6 h LYS 73 CO 0.07 0.94 0.05 -0.22 -1.08 0.00 0.00 179.45 179.21 2jq6 h LYS 74 N 1.04 0.16 0.22 3.15 1.63 -0.60 0.22 116.57 122.38 2jq6 h LYS 74 Ca 0.22 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 2jq6 h LYS 74 Cb 0.32 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2jq6 h LYS 74 CO -0.00 0.10 -0.10 0.93 -3.45 0.00 0.00 179.45 176.93 2jq6 h GLU 75 N 0.16 -0.28 0.00 1.90 4.39 -0.95 0.57 114.58 120.38 2jq6 h GLU 75 Ca 0.16 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 2jq6 h GLU 75 Cb 0.18 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2jq6 h GLU 75 CO -0.22 -0.16 -0.19 0.00 -1.16 0.00 0.00 179.01 177.28 2jq6 h MET 76 N -0.32 0.00 -0.02 2.33 -0.00 -1.09 -1.72 114.93 114.11 2jq6 h MET 76 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 2jq6 h MET 76 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2jq6 h MET 76 CO 0.05 0.19 -0.07 0.28 -0.00 0.00 0.00 176.91 177.36 2jq6 h VAL 77 N 0.00 1.50 0.00 -0.10 2.07 -0.29 -3.21 116.25 116.22 2jq6 h VAL 77 Ca -0.00 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2jq6 h VAL 77 Cb 0.62 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2jq6 h VAL 77 CO 0.03 0.42 0.00 2.29 0.02 0.00 0.00 177.57 180.33 2jq6 n LYS 78 N -4.70 0.08 0.00 1.57 2.85 0.17 -0.53 118.16 117.59 2jq6 n LYS 78 Ca -0.09 0.37 0.06 0.00 -1.05 0.00 0.00 58.31 57.60 2jq6 n LYS 78 Cb 0.36 -1.66 0.26 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.81 0.00 -1.99 -5.58 2.88 -0.67 -4.91 113.62 101.54 2jq6 n SER 79 Ca 0.02 0.45 -0.01 0.00 -1.33 0.00 0.00 58.87 58.00 2jq6 n SER 79 Cb 0.16 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 -1.47 -0.54 -4.20 -1.46 5.02 0.31 -5.09 118.16 110.72 2jq6 n LYS 80 Ca 0.03 0.89 -0.12 0.00 -2.02 0.00 0.00 58.31 57.10 2jq6 n LYS 80 Cb 0.14 -2.88 -0.10 0.00 -0.02 0.00 0.00 35.03 32.16 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 -2.29 2.14 0.79 -0.35 1.43 -1.25 -5.11 118.68 114.04 2jq6 s LEU 81 Ca 0.03 -1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 2jq6 s LEU 81 Cb -0.01 0.03 0.07 0.00 0.03 0.00 0.00 46.19 46.31 2jq6 s LEU 81 CO 0.25 -0.58 1.16 -2.16 0.23 0.00 0.00 176.35 175.24 2jq6 s PRO 82 N -3.93 2.14 0.49 1.29 0.04 -1.26 -4.91 135.00 128.85 2jq6 s PRO 82 Ca 0.21 0.20 0.22 0.00 0.04 0.00 0.00 61.00 61.67 2jq6 s PRO 82 Cb 0.06 -1.96 1.25 0.00 0.04 0.00 0.00 34.50 33.89 2jq6 s PRO 82 CO 0.01 -1.49 2.03 -0.91 0.04 0.00 0.00 177.00 176.67 2jq6 h ASN 83 N -0.98 0.00 0.07 6.66 -0.26 -2.01 -1.77 115.58 117.29 2jq6 h ASN 83 Ca -0.46 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.28 2jq6 h ASN 83 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 2jq6 h ASN 83 CO 0.65 0.16 -0.03 0.71 -1.06 0.00 0.00 177.43 177.86 2jq6 h THR 84 N 0.00 1.03 -0.36 2.81 1.35 -1.99 0.40 112.91 116.15 2jq6 h THR 84 Ca -0.00 -0.33 -0.07 0.00 -0.55 0.00 0.00 66.41 65.46 2jq6 h THR 84 Cb 0.36 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2jq6 h THR 84 CO 0.02 0.08 -0.04 0.58 -0.25 0.00 0.00 175.52 175.91 2jq6 h VAL 85 N -0.24 1.27 -0.44 6.82 2.07 -1.90 -1.98 116.25 121.85 2jq6 h VAL 85 Ca -0.01 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.53 2jq6 h VAL 85 Cb 0.21 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 2jq6 h VAL 85 CO 0.02 0.35 -0.28 -0.07 0.02 0.00 0.00 177.57 177.61 2jq6 h LEU 86 N 0.46 -0.96 -0.42 2.57 -0.00 -1.20 0.21 115.31 115.97 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 0.53 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 2jq6 h LEU 86 CO 0.03 -0.29 0.27 1.23 -0.00 0.00 0.00 178.44 179.67 2jq6 h GLY 87 N -0.19 0.60 1.67 0.83 0.00 0.05 -1.14 103.07 104.88 2jq6 h GLY 87 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2jq6 h GLY 87 CO -0.55 0.19 -0.47 0.07 0.00 0.00 0.00 176.54 175.78 2jq6 h LYS 88 N 0.54 0.00 -0.28 4.80 2.10 -1.03 -0.83 116.57 121.87 2jq6 h LYS 88 Ca 0.16 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.75 2jq6 h LYS 88 Cb -0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 2jq6 h LYS 88 CO -0.06 0.13 -0.06 0.82 -2.00 0.00 0.00 179.45 178.28 2jq6 h ILE 89 N 0.00 1.28 0.41 0.07 2.04 -0.37 -1.63 117.51 119.31 2jq6 h ILE 89 Ca -0.02 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 2jq6 h ILE 89 Cb 1.13 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2jq6 h ILE 89 CO 0.02 0.34 -0.20 -0.25 0.00 0.00 0.00 178.15 178.06 2jq6 h TRP 90 N 0.29 -0.51 0.00 1.37 2.91 -1.12 -0.41 115.95 118.49 2jq6 h TRP 90 Ca 0.07 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2jq6 h TRP 90 Cb 0.53 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 2jq6 h TRP 90 CO 0.05 -0.24 0.00 0.36 -1.03 0.00 0.00 178.44 177.58 2jq6 n LYS 91 N -5.27 0.01 -0.03 2.65 2.85 -0.33 0.93 118.16 118.98 2jq6 n LYS 91 Ca -0.11 0.21 -0.14 0.00 -1.05 0.00 0.00 58.31 57.23 2jq6 n LYS 91 Cb 0.27 -1.51 -0.14 0.00 -0.65 0.00 0.00 35.03 32.99 2jq6 n LYS 91 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jq6 n LEU 92 N -1.53 1.51 0.03 -5.58 7.94 -0.61 -4.49 117.00 114.26 2jq6 n LEU 92 Ca 0.04 0.25 -0.21 0.00 -1.11 0.00 0.00 56.01 54.98 2jq6 n LEU 92 Cb 0.20 -0.29 -0.14 0.00 0.53 0.00 0.00 43.42 43.72 2jq6 n LEU 92 CO 0.16 0.60 -0.17 0.00 -1.11 0.00 0.00 177.39 176.87 2jq6 h ALA 93 N 0.62 0.04 -1.61 1.96 0.00 0.01 -3.38 119.26 116.89 2jq6 h ALA 93 Ca -0.39 -0.88 -0.76 0.00 0.00 0.00 0.00 54.91 52.88 2jq6 h ALA 93 Cb 2.04 0.28 -0.19 0.00 0.00 0.00 0.00 17.79 19.92 2jq6 h ALA 93 CO 0.06 0.58 1.37 -3.47 0.00 0.00 0.00 179.25 177.79 2jq6 n ASP 94 N -4.05 5.34 0.26 0.00 2.03 0.27 -4.74 116.55 115.65 2jq6 n ASP 94 Ca -0.19 -3.07 0.12 0.00 0.52 0.00 0.00 54.79 52.17 2jq6 n ASP 94 Cb 0.85 -1.49 0.70 0.00 -0.72 0.00 0.00 41.12 40.46 2jq6 n ASP 94 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jq6 h VAL 95 N 4.13 0.61 0.00 5.18 2.07 -1.79 -1.55 116.25 124.91 2jq6 h VAL 95 Ca 0.31 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2jq6 h VAL 95 Cb 0.78 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2jq6 h VAL 95 CO 1.33 0.13 -0.57 -0.78 0.02 0.00 0.00 177.57 177.70 2jq6 h ASP 96 N 0.00 0.00 -5.63 0.57 3.58 -1.94 -3.49 116.42 109.51 2jq6 h ASP 96 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2jq6 h ASP 96 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2jq6 h ASP 96 CO 0.02 0.57 -0.40 0.29 -2.88 0.00 0.00 179.24 176.84 2jq6 n LYS 97 N -3.26 -1.72 0.00 0.28 5.02 -0.58 -4.97 118.16 112.92 2jq6 n LYS 97 Ca 0.02 1.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.89 2jq6 n LYS 97 Cb 0.75 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 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 -1.31 4.14 0.00 4.39 5.68 -1.26 -5.02 116.55 123.16 2jq6 n ASP 98 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 2jq6 n ASP 98 Cb 0.53 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 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 2.28 1.00 1.64 6.12 0.00 -1.26 -5.05 105.19 109.92 2jq6 n GLY 99 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2jq6 n GLY 99 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jq6 n LEU 100 N 0.00 0.00 -3.66 0.99 -0.00 -1.26 -1.04 117.00 112.03 2jq6 n LEU 100 Ca 0.00 -1.31 -0.10 0.00 -0.00 0.00 0.00 56.01 54.59 2jq6 n LEU 100 Cb 0.00 1.36 -0.11 0.00 -0.00 0.00 0.00 43.42 44.67 2jq6 n LEU 100 CO 0.00 -0.33 -0.03 -0.76 -0.00 0.00 0.00 177.39 176.26 2jq6 s LEU 101 N 0.00 -0.48 0.00 1.47 1.43 -0.51 -4.74 118.68 115.85 2jq6 s LEU 101 Ca 0.12 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 2jq6 s LEU 101 Cb -0.01 1.10 0.15 0.00 0.03 0.00 0.00 46.19 47.47 2jq6 s LEU 101 CO 0.09 -0.23 0.70 -0.90 0.23 0.00 0.00 176.35 176.24 2jq6 n ASP 102 N 5.31 -0.78 0.01 2.29 5.75 -1.26 -0.15 116.55 127.73 2jq6 n ASP 102 Ca -0.08 -1.08 0.04 0.00 -0.01 0.00 0.00 54.79 53.65 2jq6 n ASP 102 Cb 0.50 -0.58 0.43 0.00 -1.03 0.00 0.00 41.12 40.43 2jq6 n ASP 102 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2jq6 h ASP 103 N -1.50 0.45 0.38 -1.12 3.58 -1.96 0.24 116.42 116.48 2jq6 h ASP 103 Ca -0.24 -0.02 -0.32 0.00 0.42 0.00 0.00 57.03 56.87 2jq6 h ASP 103 Cb 0.70 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.65 2jq6 h ASP 103 CO 0.17 0.33 -1.54 -0.33 -2.88 0.00 0.00 179.24 174.99 2jq6 h GLU 104 N 0.52 0.34 -0.71 0.28 5.08 -1.91 -1.95 114.58 116.23 2jq6 h GLU 104 Ca 0.14 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2jq6 h GLU 104 Cb -0.04 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2jq6 h GLU 104 CO -0.03 1.24 0.32 0.93 -1.00 0.00 0.00 179.01 180.47 2jq6 h GLU 105 N 0.09 1.03 -0.44 2.33 5.08 -1.70 -1.07 114.58 119.90 2jq6 h GLU 105 Ca -0.26 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 57.80 2jq6 h GLU 105 Cb 2.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 2jq6 h GLU 105 CO 0.19 0.81 -0.29 0.35 -1.00 0.00 0.00 179.01 179.07 2jq6 h PHE 106 N 1.02 1.14 -0.52 4.33 3.04 -0.65 -1.51 116.94 123.79 2jq6 h PHE 106 Ca 0.24 -0.31 0.11 0.00 3.98 0.00 0.00 57.97 61.99 2jq6 h PHE 106 Cb 0.14 -0.25 -0.10 0.00 2.56 0.00 0.00 35.95 38.29 2jq6 h PHE 106 CO 0.01 1.14 -0.17 0.00 -2.02 0.00 0.00 178.31 177.28 2jq6 h ALA 107 N 0.82 0.28 0.07 2.41 0.00 -0.41 0.23 119.26 122.67 2jq6 h ALA 107 Ca 0.09 0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 2jq6 h ALA 107 Cb 0.88 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2jq6 h ALA 107 CO 0.08 -0.48 -1.38 1.37 0.00 0.00 0.00 179.25 178.84 2jq6 h LEU 108 N -0.04 0.24 -0.55 0.00 -0.00 -1.35 -1.75 115.31 111.86 2jq6 h LEU 108 Ca 0.25 -0.31 0.10 0.00 -0.00 0.00 0.00 57.88 57.91 2jq6 h LEU 108 Cb 0.42 -0.08 -0.11 0.00 -0.00 0.00 0.00 40.66 40.90 2jq6 h LEU 108 CO -0.56 1.26 -0.33 0.00 -0.00 0.00 0.00 178.44 178.80 2jq6 h ALA 109 N 0.71 -0.08 0.00 0.17 0.00 -0.58 0.48 119.26 119.95 2jq6 h ALA 109 Ca -0.17 0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2jq6 h ALA 109 Cb 1.95 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 20.50 2jq6 h ALA 109 CO 0.15 -0.69 -0.90 -0.97 0.00 0.00 0.00 179.25 176.84 2jq6 h ASN 110 N -0.18 0.36 -0.13 0.00 -0.00 -0.63 -1.96 115.58 113.03 2jq6 h ASN 110 Ca 0.22 -0.29 -0.08 0.00 -0.00 0.00 0.00 56.30 56.15 2jq6 h ASN 110 Cb 0.55 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.74 2jq6 h ASN 110 CO -0.65 1.09 -0.17 -0.74 -0.00 0.00 0.00 177.43 176.96 2jq6 h HIS 111 N 0.15 0.58 -0.04 0.67 2.76 -0.89 -0.34 115.15 118.05 2jq6 h HIS 111 Ca -0.06 -0.10 -0.14 0.00 -2.20 0.00 0.00 60.37 57.87 2jq6 h HIS 111 Cb 1.53 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 2jq6 h HIS 111 CO 0.04 0.67 -0.59 -0.07 -1.30 0.00 0.00 177.93 176.68 2jq6 h LEU 112 N 0.48 0.16 -0.69 0.26 3.38 0.07 0.15 115.31 119.12 2jq6 h LEU 112 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jq6 h LEU 112 Cb 0.57 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2jq6 h LEU 112 CO 0.04 0.72 0.40 0.40 0.09 0.00 0.00 178.44 180.09 2jq6 h ILE 113 N 0.11 1.20 -0.25 1.22 2.04 -0.53 -0.68 117.51 120.62 2jq6 h ILE 113 Ca -0.01 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 2jq6 h ILE 113 Cb 1.07 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2jq6 h ILE 113 CO 0.09 0.21 -0.33 0.07 0.00 0.00 0.00 178.15 178.20 2jq6 h LYS 114 N 0.94 0.53 -0.12 2.37 5.09 -0.76 -2.03 116.57 122.60 2jq6 h LYS 114 Ca 0.25 -0.24 0.01 0.00 0.09 0.00 0.00 60.65 60.75 2jq6 h LYS 114 Cb -0.01 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.30 2jq6 h LYS 114 CO -0.04 0.79 0.06 0.28 -2.09 0.00 0.00 179.45 178.45 2jq6 h VAL 115 N 0.46 1.00 0.00 0.07 2.07 -0.48 -1.43 116.25 117.94 2jq6 h VAL 115 Ca 0.05 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 2jq6 h VAL 115 Cb 0.79 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2jq6 h VAL 115 CO 0.06 0.02 -0.35 0.07 0.02 0.00 0.00 177.57 177.39 2jq6 h LYS 116 N 0.13 0.00 0.00 1.57 2.10 -1.12 -2.54 116.57 116.70 2jq6 h LYS 116 Ca 0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2jq6 h LYS 116 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jq6 h LYS 116 CO -0.03 0.35 -0.03 1.25 -2.00 0.00 0.00 179.45 178.99 2jq6 h LEU 117 N 0.00 0.00 0.00 7.07 5.85 -0.58 -2.07 115.31 125.57 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 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2jq6 h LEU 117 CO 0.05 0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 177.56 2jq6 n GLU 118 N -3.14 0.01 0.00 1.25 1.02 -0.62 -4.84 120.64 114.33 2jq6 n GLU 118 Ca 0.01 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2jq6 n GLU 118 Cb 0.32 -1.50 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 0.21 0.90 3.05 0.62 0.00 -0.78 -5.10 105.19 104.08 2jq6 n GLY 119 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2jq6 n GLY 119 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jq6 s HIS 120 N -2.00 1.31 0.84 1.61 -3.43 -1.21 -5.09 115.29 107.32 2jq6 s HIS 120 Ca 0.00 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.76 2jq6 s HIS 120 Cb 0.00 -0.93 0.10 0.00 -1.43 0.00 0.00 32.58 30.32 2jq6 s HIS 120 CO 0.00 -0.17 1.09 -1.83 -2.00 0.00 0.00 174.74 171.84 2jq6 s GLU 121 N 0.28 1.69 0.35 -0.38 -1.05 -1.26 -3.38 118.70 114.95 2jq6 s GLU 121 Ca -0.06 0.76 -0.27 0.00 -0.15 0.00 0.00 54.97 55.24 2jq6 s GLU 121 Cb -0.11 -1.86 -0.09 0.00 -0.44 0.00 0.00 34.13 31.62 2jq6 s GLU 121 CO 0.02 -1.92 1.24 -0.51 0.95 0.00 0.00 175.26 175.03 2jq6 s LEU 122 N -6.00 4.35 0.00 1.83 1.02 -1.26 -4.88 118.68 113.73 2jq6 s LEU 122 Ca 0.62 2.53 0.25 0.00 0.02 0.00 0.00 54.13 57.55 2jq6 s LEU 122 Cb -0.16 -3.78 0.55 0.00 0.02 0.00 0.00 46.19 42.81 2jq6 s LEU 122 CO 0.56 -0.56 1.44 -0.81 0.02 0.00 0.00 176.35 176.99 2jq6 n PRO 123 N 0.56 0.52 -3.24 1.29 -0.04 -1.26 -4.94 135.00 127.89 2jq6 n PRO 123 Ca 0.02 -0.33 -0.21 0.00 -0.04 0.00 0.00 63.50 62.93 2jq6 n PRO 123 Cb 0.44 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.96 -1.05 -2.76 0.55 0.00 -1.26 -5.01 120.51 110.02 2jq6 n ALA 124 Ca 0.09 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 2jq6 n ALA 124 Cb 0.35 -4.41 -0.12 0.00 0.00 0.00 0.00 19.45 15.27 2jq6 n ALA 124 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jq6 s ASP 125 N -3.01 4.43 -0.56 0.00 -4.77 -1.26 -5.08 116.67 106.42 2jq6 s ASP 125 Ca 0.41 -0.14 -0.00 0.00 -3.30 0.00 0.00 52.55 49.52 2jq6 s ASP 125 Cb -0.18 -1.35 0.14 0.00 -1.09 0.00 0.00 42.92 40.44 2jq6 s ASP 125 CO 0.51 0.27 0.34 -0.22 0.70 0.00 0.00 175.17 176.78 2jq6 s LEU 126 N -0.28 4.90 0.48 2.11 2.96 -1.26 -5.07 118.68 122.52 2jq6 s LEU 126 Ca 0.03 -2.82 0.06 0.00 -0.22 0.00 0.00 54.13 51.18 2jq6 s LEU 126 Cb -0.13 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.82 2jq6 s LEU 126 CO 0.03 -0.33 0.66 -2.16 -1.32 0.00 0.00 176.35 173.22 2jq6 s PRO 127 N -0.02 2.66 0.54 0.98 0.04 -1.26 -5.00 135.00 132.94 2jq6 s PRO 127 Ca 0.16 -1.17 0.25 0.00 0.04 0.00 0.00 61.00 60.29 2jq6 s PRO 127 Cb -0.22 -2.66 1.41 0.00 0.04 0.00 0.00 34.50 33.07 2jq6 s PRO 127 CO -0.03 -0.49 2.00 -1.00 0.04 0.00 0.00 177.00 177.53 2jq6 h PRO 128 N 0.40 0.00 -0.92 0.56 0.13 -1.99 -1.33 132.00 128.86 2jq6 h PRO 128 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2jq6 h PRO 128 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2jq6 h PRO 128 CO 0.46 0.00 0.03 -2.39 -0.23 0.00 0.00 178.00 175.88 2jq6 n HIS 129 N -4.31 0.56 -1.92 1.56 1.44 -1.26 -2.97 115.22 108.32 2jq6 n HIS 129 Ca 0.09 -0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.48 2jq6 n HIS 129 Cb 0.57 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 30.43 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 0.14 0.00 -4.62 2.39 4.32 -0.51 -4.54 117.00 114.18 2jq6 n LEU 130 Ca 0.08 -0.88 -0.43 0.00 -0.02 0.00 0.00 56.01 54.77 2jq6 n LEU 130 Cb 0.55 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 2jq6 n LEU 130 CO 0.09 0.56 1.39 -0.69 -1.22 0.00 0.00 177.39 177.52 2jq6 s VAL 131 N 0.00 3.67 0.01 4.08 1.01 -1.16 -4.91 120.40 123.11 2jq6 s VAL 131 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2jq6 s VAL 131 Cb 0.00 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 2jq6 s VAL 131 CO 0.00 -0.41 1.63 -2.84 0.00 0.00 0.00 175.10 173.48 2jq6 s PRO 132 N 5.00 4.20 0.00 2.72 0.02 -1.26 -4.87 135.00 140.81 2jq6 s PRO 132 Ca 0.72 2.24 0.10 0.00 0.02 0.00 0.00 61.00 64.07 2jq6 s PRO 132 Cb -0.22 -3.75 0.59 0.00 0.02 0.00 0.00 34.50 31.13 2jq6 s PRO 132 CO 0.31 -0.76 1.01 -2.30 -0.33 0.00 0.00 177.00 174.93 2jq6 n PRO 133 N 6.19 0.42 -0.08 5.54 -0.02 -1.26 -2.10 135.00 143.69 2jq6 n PRO 133 Ca 0.16 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 2jq6 n PRO 133 Cb 0.42 -1.37 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 2jq6 n PRO 133 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2jq6 n SER 134 N -0.87 0.29 -0.59 2.55 3.41 -1.26 -4.36 113.62 112.80 2jq6 n SER 134 Ca 0.07 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2jq6 n SER 134 Cb 0.03 0.69 0.41 0.00 -0.26 0.00 0.00 64.21 65.08 2jq6 n SER 134 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2jq6 n LYS 135 N -2.84 1.79 -2.14 4.33 -0.00 -0.89 -4.62 118.16 113.78 2jq6 n LYS 135 Ca -0.30 -1.17 -0.30 0.00 -0.00 0.00 0.00 58.31 56.54 2jq6 n LYS 135 Cb 1.13 -1.44 -0.05 0.00 -0.00 0.00 0.00 35.03 34.67 2jq6 n LYS 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2jq6 s ARG 136 N -1.87 2.72 -0.11 -1.58 1.70 -1.23 -4.85 118.95 113.73 2jq6 s ARG 136 Ca 0.35 -1.10 -0.06 0.00 -0.47 0.00 0.00 55.73 54.44 2jq6 s ARG 136 Cb 0.19 -5.25 0.04 0.00 -0.57 0.00 0.00 34.95 29.37 2jq6 s ARG 136 CO 0.30 -3.61 0.26 -0.98 -1.08 0.00 0.00 175.30 170.19 2jq6 s ARG 137 N 6.25 0.24 -0.30 3.89 1.70 -1.26 -5.11 118.95 124.37 2jq6 s ARG 137 Ca 0.66 0.51 -0.02 0.00 -0.47 0.00 0.00 55.73 56.42 2jq6 s ARG 137 Cb -0.01 -0.05 0.10 0.00 -0.57 0.00 0.00 34.95 34.41 2jq6 s ARG 137 CO 0.09 -0.13 0.10 -1.58 -1.08 0.00 0.00 175.30 172.70 2jq6 s HIS 138 N 1.02 1.36 -2.21 5.89 2.46 -1.26 -5.20 115.29 117.34 2jq6 s HIS 138 Ca -0.07 -1.48 0.30 0.00 0.47 0.00 0.00 55.06 54.28 2jq6 s HIS 138 Cb -0.08 -1.48 1.55 0.00 -0.13 0.00 0.00 32.58 32.43 2jq6 s HIS 138 CO -0.07 -0.84 2.02 0.39 -2.47 0.00 0.00 174.74 173.77