#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jq6 s PRO 2 N 0.00 4.20 0.39 1.61 0.02 -1.26 -4.98 135.00 134.98 2jq6 s PRO 2 Ca 0.00 2.43 -0.25 0.00 0.02 0.00 0.00 61.00 63.20 2jq6 s PRO 2 Cb 0.00 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.34 2jq6 s PRO 2 CO 0.00 -0.57 1.11 -0.51 -0.33 0.00 0.00 177.00 176.70 2jq6 s LEU 3 N 0.18 4.19 0.00 -5.54 1.02 -1.26 -3.67 118.68 113.60 2jq6 s LEU 3 Ca 0.65 2.20 0.00 0.00 0.02 0.00 0.00 54.13 57.00 2jq6 s LEU 3 Cb -0.45 -4.07 0.00 0.00 0.02 0.00 0.00 46.19 41.69 2jq6 s LEU 3 CO 0.40 -0.57 0.00 0.61 0.02 0.00 0.00 176.35 176.81 2jq6 n GLY 4 N 0.55 1.16 3.86 -3.19 0.00 -1.26 -5.11 105.19 101.21 2jq6 n GLY 4 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.84 6.61 0.07 1.61 0.01 -1.24 -5.01 113.70 113.91 2jq6 s SER 5 Ca 0.00 1.20 -0.31 0.00 1.31 0.00 0.00 55.95 58.15 2jq6 s SER 5 Cb 0.00 -2.35 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 2jq6 s SER 5 CO 0.00 -0.34 1.47 -1.61 0.41 0.00 0.00 173.24 173.17 2jq6 s GLU 6 N -3.55 4.27 0.09 12.44 0.41 -1.26 -4.98 118.70 126.12 2jq6 s GLU 6 Ca 0.53 2.11 -0.29 0.00 -0.41 0.00 0.00 54.97 56.91 2jq6 s GLU 6 Cb -0.10 -3.44 -0.05 0.00 -1.78 0.00 0.00 34.13 28.75 2jq6 s GLU 6 CO 0.26 -0.57 0.93 -1.12 -0.49 0.00 0.00 175.26 174.28 2jq6 s SER 7 N 1.69 7.44 0.27 -0.19 0.01 -1.26 -5.05 113.70 116.60 2jq6 s SER 7 Ca 0.67 1.72 0.06 0.00 1.31 0.00 0.00 55.95 59.71 2jq6 s SER 7 Cb -0.36 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.28 2jq6 s SER 7 CO 0.29 -0.07 0.32 -0.76 0.41 0.00 0.00 173.24 173.43 2jq6 s LEU 8 N 0.11 4.02 -0.00 2.44 1.43 -1.26 -5.12 118.68 120.30 2jq6 s LEU 8 Ca 0.46 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2jq6 s LEU 8 Cb -0.23 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2jq6 s LEU 8 CO 0.28 -0.16 0.05 -0.04 0.23 0.00 0.00 176.35 176.71 2jq6 s MET 9 N -3.98 2.94 0.29 1.70 -1.94 -1.26 -5.02 119.30 112.04 2jq6 s MET 9 Ca 0.36 -0.54 -0.01 0.00 -1.71 0.00 0.00 55.69 53.79 2jq6 s MET 9 Cb -0.08 -2.78 0.44 0.00 2.01 0.00 0.00 34.83 34.41 2jq6 s MET 9 CO 0.28 0.64 1.90 -1.00 -0.01 0.00 0.00 175.02 176.83 2jq6 h PRO 10 N 4.20 0.95 -5.40 2.03 0.13 -2.07 -3.34 132.00 128.50 2jq6 h PRO 10 Ca -0.49 -0.12 -0.66 0.00 -0.87 0.00 0.00 66.00 63.86 2jq6 h PRO 10 Cb 1.18 -0.18 -0.15 0.00 0.13 0.00 0.00 31.00 31.98 2jq6 h PRO 10 CO 0.60 0.72 1.09 -1.12 -0.23 0.00 0.00 178.00 179.06 2jq6 s SER 11 N -6.45 6.59 -0.74 1.44 0.01 -1.26 -4.95 113.70 108.35 2jq6 s SER 11 Ca -0.11 -1.86 -0.17 0.00 1.31 0.00 0.00 55.95 55.12 2jq6 s SER 11 Cb 0.17 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 64.09 2jq6 s SER 11 CO 0.79 -1.21 0.81 -1.58 0.41 0.00 0.00 173.24 172.46 2jq6 s GLN 12 N 3.47 3.35 -0.14 12.44 0.74 -1.25 -5.02 119.66 133.25 2jq6 s GLN 12 Ca 0.38 -1.82 -0.02 0.00 0.05 0.00 0.00 55.36 53.95 2jq6 s GLN 12 Cb -0.03 -4.47 -0.02 0.00 1.10 0.00 0.00 33.01 29.59 2jq6 s GLN 12 CO -0.09 -1.50 -0.09 0.14 -0.55 0.00 0.00 175.29 173.19 2jq6 s VAL 13 N 1.80 3.38 -0.15 1.34 -7.23 -1.26 -5.10 120.40 113.18 2jq6 s VAL 13 Ca 0.18 -0.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 2jq6 s VAL 13 Cb -0.15 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.35 2jq6 s VAL 13 CO -0.03 0.51 -0.21 0.54 -0.31 0.00 0.00 175.10 175.61 2jq6 s VAL 14 N 0.36 2.13 -0.35 1.32 0.11 -1.26 -5.09 120.40 117.61 2jq6 s VAL 14 Ca -0.08 -0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2jq6 s VAL 14 Cb -0.15 -1.86 0.07 0.00 -1.53 0.00 0.00 36.38 32.91 2jq6 s VAL 14 CO 0.05 0.54 0.10 -0.54 -3.33 0.00 0.00 175.10 171.92 2jq6 s LYS 15 N 0.86 2.28 0.01 1.54 -0.14 -1.26 -5.07 119.74 117.94 2jq6 s LYS 15 Ca -0.06 -1.48 -0.30 0.00 -1.36 0.00 0.00 55.97 52.76 2jq6 s LYS 15 Cb -0.15 -3.39 -0.06 0.00 -1.68 0.00 0.00 37.83 32.54 2jq6 s LYS 15 CO -0.03 -0.82 1.50 0.20 -0.76 0.00 0.00 175.35 175.45 2jq6 s GLY 16 N 1.51 1.71 0.00 -3.33 0.00 -1.26 -2.67 107.32 103.28 2jq6 s GLY 16 Ca 0.01 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.70 2jq6 s GLY 16 CO -0.02 2.70 0.00 0.61 0.00 0.00 0.00 173.10 176.39 2jq6 n GLY 17 N 3.81 0.72 3.38 0.20 0.00 -1.26 -5.06 105.19 106.98 2jq6 n GLY 17 Ca 0.15 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 2.56 -0.26 4.61 0.00 -1.09 -5.09 121.76 120.48 2jq6 s ALA 18 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 2jq6 s ALA 18 Cb 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2jq6 s ALA 18 CO 0.00 0.37 1.04 -0.59 0.00 0.00 0.00 175.76 176.58 2jq6 s PHE 19 N -0.05 3.27 -0.06 0.00 -0.71 -1.26 -5.00 117.98 114.16 2jq6 s PHE 19 Ca -0.03 1.35 -0.03 0.00 -1.04 0.00 0.00 56.93 57.17 2jq6 s PHE 19 Cb -0.14 -3.41 0.03 0.00 -1.21 0.00 0.00 43.02 38.29 2jq6 s PHE 19 CO 0.04 -0.58 0.13 0.34 -1.34 0.00 0.00 175.22 173.81 2jq6 s ASP 20 N 1.38 -0.11 -0.46 1.98 2.15 -1.26 -5.08 116.67 115.26 2jq6 s ASP 20 Ca 0.44 0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.77 2jq6 s ASP 20 Cb -0.14 0.21 0.27 0.00 -0.30 0.00 0.00 42.92 42.96 2jq6 s ASP 20 CO 0.09 -0.10 0.65 0.61 -0.17 0.00 0.00 175.17 176.25 2jq6 n GLY 21 N 3.71 3.69 3.72 2.66 0.00 -1.26 -5.10 105.19 112.61 2jq6 n GLY 21 Ca -0.21 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.98 4.39 -0.10 2.61 -4.23 -1.26 -5.11 115.64 109.95 2jq6 s THR 22 Ca 0.38 -0.52 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 2jq6 s THR 22 Cb 0.20 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2jq6 s THR 22 CO -0.08 0.37 0.27 0.00 -0.54 0.00 0.00 174.62 174.64 2jq6 s MET 23 N -1.63 0.31 0.01 3.99 0.23 -1.26 -5.16 119.30 115.79 2jq6 s MET 23 Ca 0.21 0.40 -0.01 0.00 -1.03 0.00 0.00 55.69 55.25 2jq6 s MET 23 Cb -0.12 0.13 -0.04 0.00 -1.53 0.00 0.00 34.83 33.27 2jq6 s MET 23 CO 0.12 -0.05 0.16 -0.80 -2.03 0.00 0.00 175.02 172.41 2jq6 s ASN 24 N 0.26 6.16 0.00 -1.18 0.01 -1.26 -4.61 114.94 114.33 2jq6 s ASN 24 Ca -0.01 0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 2jq6 s ASN 24 Cb -0.03 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.75 2jq6 s ASN 24 CO -0.01 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.44 2jq6 n GLY 25 N 0.86 1.30 0.34 0.66 0.00 -1.26 -4.97 105.19 102.13 2jq6 n GLY 25 Ca -0.10 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.57 2jq6 n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jq6 h PRO 26 N 0.00 0.96 -5.43 1.61 0.13 -2.06 -3.43 132.00 123.78 2jq6 h PRO 26 Ca 0.00 -0.06 -0.44 0.00 -0.87 0.00 0.00 66.00 64.64 2jq6 h PRO 26 Cb 0.00 -0.22 -0.14 0.00 0.13 0.00 0.00 31.00 30.77 2jq6 h PRO 26 CO 0.00 0.64 -0.71 -0.59 -0.23 0.00 0.00 178.00 177.11 2jq6 s PHE 27 N -6.02 1.70 0.57 1.56 -0.71 -1.26 -5.14 117.98 108.67 2jq6 s PHE 27 Ca -0.12 -0.67 -0.16 0.00 -1.04 0.00 0.00 56.93 54.94 2jq6 s PHE 27 Cb 0.20 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 2jq6 s PHE 27 CO 0.80 0.26 1.03 0.20 -1.34 0.00 0.00 175.22 176.17 2jq6 s GLY 28 N -3.33 2.10 -0.08 1.99 0.00 -1.26 -5.00 107.32 101.74 2jq6 s GLY 28 Ca 0.24 0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.99 2jq6 s GLY 28 CO 0.08 0.62 1.01 -2.38 0.00 0.00 0.00 173.10 172.43 2jq6 s HIS 29 N -2.52 3.54 0.30 1.90 -3.43 -1.26 -5.04 115.29 108.78 2jq6 s HIS 29 Ca 0.62 1.60 0.04 0.00 -0.80 0.00 0.00 55.06 56.52 2jq6 s HIS 29 Cb -0.14 -3.18 0.04 0.00 -1.43 0.00 0.00 32.58 27.87 2jq6 s HIS 29 CO 0.35 -0.23 0.34 0.41 -2.00 0.00 0.00 174.74 173.62 2jq6 n GLY 30 N 3.06 2.33 3.76 -1.38 0.00 -1.26 -5.15 105.19 106.55 2jq6 n GLY 30 Ca 0.08 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.13 2.67 -0.79 1.61 2.02 -1.26 -5.04 117.35 115.42 2jq6 s TYR 31 Ca 0.26 -0.49 -0.25 0.00 -0.37 0.00 0.00 57.07 56.22 2jq6 s TYR 31 Cb -0.02 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 2jq6 s TYR 31 CO 0.16 0.19 1.75 0.20 -1.57 0.00 0.00 175.55 176.28 2jq6 s GLY 32 N -3.92 0.44 0.11 0.71 0.00 -1.26 -4.94 107.32 98.46 2jq6 s GLY 32 Ca 0.41 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 43.90 2jq6 s GLY 32 CO 0.24 3.23 -0.13 -0.54 0.00 0.00 0.00 173.10 175.89 2jq6 s GLU 33 N 6.54 0.95 -0.79 2.90 2.02 -1.26 -5.09 118.70 123.98 2jq6 s GLU 33 Ca 0.60 -1.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.16 2jq6 s GLU 33 Cb -0.08 -0.80 0.03 0.00 0.10 0.00 0.00 34.13 33.38 2jq6 s GLU 33 CO 0.08 0.15 1.31 0.20 0.02 0.00 0.00 175.26 177.02 2jq6 s GLY 34 N -2.33 0.95 0.54 -1.39 0.00 -1.26 -5.00 107.32 98.83 2jq6 s GLY 34 Ca 0.06 -1.52 -0.07 0.00 0.00 0.00 0.00 44.72 43.19 2jq6 s GLY 34 CO 0.02 2.66 0.87 0.00 0.00 0.00 0.00 173.10 176.65 2jq6 s ALA 35 N 5.61 3.30 -0.41 3.20 0.00 -1.26 -5.05 121.76 127.15 2jq6 s ALA 35 Ca 0.37 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2jq6 s ALA 35 Cb -0.07 -2.72 0.11 0.00 0.00 0.00 0.00 23.12 20.44 2jq6 s ALA 35 CO 0.11 -0.53 0.22 0.20 0.00 0.00 0.00 175.76 175.75 2jq6 s GLY 36 N -4.17 1.98 0.40 0.00 0.00 -1.26 -5.08 107.32 99.20 2jq6 s GLY 36 Ca 0.51 -2.48 -0.07 0.00 0.00 0.00 0.00 44.72 42.68 2jq6 s GLY 36 CO 0.47 1.02 0.48 1.18 0.00 0.00 0.00 173.10 176.25 2jq6 n GLU 37 N 4.66 -0.89 -1.92 2.90 1.02 -1.26 -4.88 120.64 120.26 2jq6 n GLU 37 Ca -0.04 -0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 55.94 2jq6 n GLU 37 Cb 0.41 -0.55 -0.01 0.00 -0.02 0.00 0.00 31.44 31.28 2jq6 n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jq6 n GLY 38 N 1.12 3.46 3.72 0.62 0.00 -1.26 -4.94 105.19 107.91 2jq6 n GLY 38 Ca 0.06 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 2jq6 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jq6 s ILE 39 N 4.19 2.43 -0.98 -0.61 1.01 -1.26 -4.82 121.20 121.15 2jq6 s ILE 39 Ca 0.52 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 61.16 2jq6 s ILE 39 Cb 0.10 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.87 2jq6 s ILE 39 CO -0.00 -0.14 2.03 0.47 0.00 0.00 0.00 174.94 177.29 2jq6 n ASP 40 N -3.17 3.00 -3.54 3.58 9.92 -1.26 -4.67 116.55 120.41 2jq6 n ASP 40 Ca 0.12 -2.72 -0.24 0.00 -0.53 0.00 0.00 54.79 51.42 2jq6 n ASP 40 Cb 0.51 -1.28 -0.15 0.00 -0.64 0.00 0.00 41.12 39.57 2jq6 n ASP 40 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jq6 s ASP 41 N 4.42 2.31 -0.51 -2.24 2.15 -1.26 -5.10 116.67 116.43 2jq6 s ASP 41 Ca 0.54 -0.69 0.03 0.00 0.43 0.00 0.00 52.55 52.86 2jq6 s ASP 41 Cb 0.14 -0.02 0.13 0.00 -0.30 0.00 0.00 42.92 42.87 2jq6 s ASP 41 CO 0.05 -0.37 0.26 -0.69 -0.17 0.00 0.00 175.17 174.26 2jq6 s VAL 42 N 2.20 2.77 -0.55 1.11 1.01 -1.26 -4.70 120.40 120.97 2jq6 s VAL 42 Ca 0.06 -3.11 0.04 0.00 0.00 0.00 0.00 61.98 58.97 2jq6 s VAL 42 Cb -0.16 -2.91 0.14 0.00 0.00 0.00 0.00 36.38 33.45 2jq6 s VAL 42 CO -0.19 -0.79 0.31 -0.70 0.00 0.00 0.00 175.10 173.73 2jq6 s GLU 43 N -0.07 2.10 -0.08 2.72 2.12 -1.26 -5.07 118.70 119.15 2jq6 s GLU 43 Ca 0.16 -2.72 -0.12 0.00 0.36 0.00 0.00 54.97 52.65 2jq6 s GLU 43 Cb -0.24 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 2jq6 s GLU 43 CO -0.02 -1.14 0.28 -0.46 -0.54 0.00 0.00 175.26 173.38 2jq6 s TRP 44 N -0.44 3.62 -2.00 5.30 -0.00 -1.26 -4.89 118.94 119.27 2jq6 s TRP 44 Ca 0.18 0.73 0.16 0.00 -0.00 0.00 0.00 56.10 57.17 2jq6 s TRP 44 Cb -0.23 -2.17 0.96 0.00 -0.00 0.00 0.00 33.47 32.04 2jq6 s TRP 44 CO -0.02 0.59 1.38 0.28 -0.00 0.00 0.00 176.95 179.17 2jq6 n VAL 45 N 2.26 0.00 0.33 5.86 0.31 -1.26 -1.80 118.33 124.03 2jq6 n VAL 45 Ca -0.16 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.29 2jq6 n VAL 45 Cb 0.53 -0.66 0.10 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.00 0.00 2.52 2.07 -1.93 -3.32 116.25 115.60 2jq6 h VAL 46 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2jq6 h VAL 46 Cb 0.00 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2jq6 h VAL 46 CO 0.00 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.82 2jq6 h GLY 47 N 4.23 0.00 0.02 2.17 0.00 -1.78 0.17 103.07 107.89 2jq6 h GLY 47 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2jq6 h GLY 47 CO 0.00 0.00 -2.31 0.58 0.00 0.00 0.00 176.54 174.81 2jq6 n LYS 48 N -2.51 0.68 -0.01 4.80 2.85 -1.25 -4.48 118.16 118.25 2jq6 n LYS 48 Ca -0.01 -0.04 0.07 0.00 -1.05 0.00 0.00 58.31 57.29 2jq6 n LYS 48 Cb 0.12 -1.53 0.07 0.00 -0.65 0.00 0.00 35.03 33.04 2jq6 n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jq6 n ASP 49 N -2.67 2.24 -0.16 -5.58 8.00 -0.88 -4.58 116.55 112.92 2jq6 n ASP 49 Ca -0.28 -1.62 -0.02 0.00 0.71 0.00 0.00 54.79 53.59 2jq6 n ASP 49 Cb 1.05 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 42.20 2jq6 n ASP 49 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2jq6 h LYS 50 N 2.82 0.10 0.00 -1.24 3.64 -0.90 0.36 116.57 121.35 2jq6 h LYS 50 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2jq6 h LYS 50 Cb 0.61 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2jq6 h LYS 50 CO 0.00 0.07 -0.09 -1.00 -2.27 0.00 0.00 179.45 176.16 2jq6 h PRO 51 N 0.11 0.00 -0.06 1.90 0.13 -1.86 0.19 132.00 132.41 2jq6 h PRO 51 Ca 0.26 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.16 2jq6 h PRO 51 Cb 0.39 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.53 2jq6 h PRO 51 CO -0.44 0.09 -0.88 1.15 -0.23 0.00 0.00 178.00 177.70 2jq6 h THR 52 N 0.00 1.33 0.00 1.56 2.02 -1.38 -0.08 112.91 116.36 2jq6 h THR 52 Ca -0.00 -2.21 -0.07 0.00 0.77 0.00 0.00 66.41 64.90 2jq6 h THR 52 Cb 0.17 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2jq6 h THR 52 CO 0.01 0.68 -0.32 1.88 0.37 0.00 0.00 175.52 178.14 2jq6 h TYR 53 N 0.36 0.00 0.06 3.16 0.05 -0.16 -2.23 116.97 118.22 2jq6 h TYR 53 Ca -0.07 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.46 2jq6 h TYR 53 Cb 1.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 2jq6 h TYR 53 CO 0.07 0.32 -1.20 0.22 -1.05 0.00 0.00 178.16 176.52 2jq6 h ASP 54 N 0.00 0.19 -0.21 3.88 1.82 -0.52 -1.79 116.42 119.80 2jq6 h ASP 54 Ca -0.00 -0.22 -0.09 0.00 -0.39 0.00 0.00 57.03 56.32 2jq6 h ASP 54 Cb 0.97 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 2jq6 h ASP 54 CO 0.04 1.18 -0.23 1.05 -1.61 0.00 0.00 179.24 179.67 2jq6 h GLU 55 N 0.03 0.53 -0.01 0.28 4.11 -0.91 0.14 114.58 118.75 2jq6 h GLU 55 Ca -0.10 -0.29 -0.03 0.00 0.07 0.00 0.00 59.36 59.01 2jq6 h GLU 55 Cb 1.89 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 2jq6 h GLU 55 CO 0.15 0.87 -0.12 0.82 0.07 0.00 0.00 179.01 180.81 2jq6 h ILE 56 N 0.21 1.09 0.56 -1.06 2.04 -1.48 0.13 117.51 119.00 2jq6 h ILE 56 Ca 0.03 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 2jq6 h ILE 56 Cb 0.79 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2jq6 h ILE 56 CO 0.06 0.13 -0.27 0.15 0.00 0.00 0.00 178.15 178.21 2jq6 h PHE 57 N 0.01 -0.69 0.00 1.37 3.04 -0.90 -2.59 116.94 117.17 2jq6 h PHE 57 Ca 0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2jq6 h PHE 57 Cb 0.22 0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2jq6 h PHE 57 CO 0.00 -0.36 -0.04 1.88 -2.02 0.00 0.00 178.31 177.77 2jq6 h TYR 58 N -0.99 0.00 0.00 0.41 -1.99 -0.39 0.27 116.97 114.28 2jq6 h TYR 58 Ca -0.08 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 2jq6 h TYR 58 Cb 0.64 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 2jq6 h TYR 58 CO 0.00 0.04 -0.09 1.15 -0.00 0.00 0.00 178.16 179.26 2jq6 h THR 59 N 0.00 0.27 -0.01 -2.88 2.02 -0.79 -1.72 112.91 109.80 2jq6 h THR 59 Ca -0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2jq6 h THR 59 Cb 0.18 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2jq6 h THR 59 CO 0.01 0.09 -0.63 0.18 0.37 0.00 0.00 175.52 175.54 2jq6 n LEU 60 N -3.28 1.36 -2.07 2.58 4.77 0.84 -5.05 117.00 116.15 2jq6 n LEU 60 Ca -0.00 -0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 55.45 2jq6 n LEU 60 Cb 0.32 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2jq6 n LEU 60 CO 0.29 0.28 -0.29 -0.24 -1.33 0.00 0.00 177.39 176.10 2jq6 n SER 61 N -0.80 -3.00 -4.67 -1.43 2.88 -0.65 -5.02 113.62 100.93 2jq6 n SER 61 Ca 0.07 0.69 -0.31 0.00 -1.33 0.00 0.00 58.87 58.00 2jq6 n SER 61 Cb 0.39 -3.15 0.16 0.00 -0.75 0.00 0.00 64.21 60.86 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 -0.82 1.05 -0.29 -1.46 0.04 -1.26 -4.91 135.00 127.35 2jq6 s PRO 62 Ca -0.08 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2jq6 s PRO 62 Cb 0.01 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.89 2jq6 s PRO 62 CO 0.40 -2.57 0.06 0.08 0.04 0.00 0.00 177.00 175.00 2jq6 s VAL 63 N -2.68 1.19 -1.30 -0.36 1.01 0.23 -4.80 120.40 113.69 2jq6 s VAL 63 Ca 0.66 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2jq6 s VAL 63 Cb -0.22 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2jq6 s VAL 63 CO 0.58 -0.51 0.00 0.59 0.00 0.00 0.00 175.10 175.77 2jq6 n ASN 64 N 4.74 -4.49 0.00 3.32 3.02 -1.26 -3.09 115.26 117.50 2jq6 n ASN 64 Ca -0.04 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2jq6 n ASN 64 Cb 0.43 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 2jq6 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jq6 n GLY 65 N -1.05 0.94 3.57 7.41 0.00 -1.26 -5.06 105.19 109.75 2jq6 n GLY 65 Ca -0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.86 0.55 0.03 1.61 0.00 -1.18 -4.15 119.74 115.75 2jq6 s LYS 66 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 55.97 55.85 2jq6 s LYS 66 Cb 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 37.83 38.03 2jq6 s LYS 66 CO 0.00 -0.19 0.51 0.96 0.00 0.00 0.00 175.35 176.63 2jq6 s ILE 67 N -1.45 4.87 0.37 3.79 -4.36 0.43 -0.60 121.20 124.25 2jq6 s ILE 67 Ca 0.01 1.07 -0.28 0.00 -0.26 0.00 0.00 60.65 61.19 2jq6 s ILE 67 Cb -0.01 -3.83 -0.11 0.00 1.25 0.00 0.00 42.46 39.76 2jq6 s ILE 67 CO -0.01 0.55 1.50 0.42 0.24 0.00 0.00 174.94 177.63 2jq6 s THR 68 N -0.97 2.04 0.39 8.37 -4.23 -1.26 -0.84 115.64 119.14 2jq6 s THR 68 Ca 0.27 0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.95 2jq6 s THR 68 Cb -0.18 -3.02 0.35 0.00 1.34 0.00 0.00 72.50 70.98 2jq6 s THR 68 CO 0.17 0.01 1.88 1.23 -0.54 0.00 0.00 174.62 177.36 2jq6 h GLY 69 N 3.15 0.97 1.38 3.99 0.00 -0.81 -0.90 103.07 110.86 2jq6 h GLY 69 Ca -0.51 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2jq6 h GLY 69 CO 0.65 0.05 0.28 0.00 0.00 0.00 0.00 176.54 177.52 2jq6 h ALA 70 N 1.62 1.55 0.24 3.60 0.00 -1.90 0.35 119.26 124.72 2jq6 h ALA 70 Ca 0.43 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.02 2jq6 h ALA 70 Cb 0.89 0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.72 2jq6 h ALA 70 CO -0.18 -0.34 -1.40 -0.91 0.00 0.00 0.00 179.25 176.42 2jq6 h ASN 71 N 0.00 0.79 0.59 0.00 2.35 -1.51 -0.84 115.58 116.96 2jq6 h ASN 71 Ca 0.06 -0.93 -0.16 0.00 -0.55 0.00 0.00 56.30 54.73 2jq6 h ASN 71 Cb 0.61 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2jq6 h ASN 71 CO -0.00 1.68 -0.71 0.00 -1.65 0.00 0.00 177.43 176.75 2jq6 h ALA 72 N 0.14 0.79 -0.37 -0.83 0.00 -1.22 -2.27 119.26 115.50 2jq6 h ALA 72 Ca -0.25 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 53.98 2jq6 h ALA 72 Cb 2.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2jq6 h ALA 72 CO 0.26 0.84 -0.00 0.87 0.00 0.00 0.00 179.25 181.21 2jq6 h LYS 73 N 0.07 0.58 -0.56 0.00 1.79 -0.40 -1.25 116.57 116.81 2jq6 h LYS 73 Ca -0.01 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2jq6 h LYS 73 Cb 1.25 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2jq6 h LYS 73 CO 0.10 0.61 0.35 -0.22 -1.08 0.00 0.00 179.45 179.21 2jq6 h LYS 74 N 0.56 0.68 0.32 3.15 1.63 -0.61 0.47 116.57 122.76 2jq6 h LYS 74 Ca 0.12 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2jq6 h LYS 74 Cb 0.36 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2jq6 h LYS 74 CO 0.01 0.45 -0.15 0.93 -3.45 0.00 0.00 179.45 177.24 2jq6 h GLU 75 N 0.70 -0.42 0.00 1.90 4.39 -0.82 0.10 114.58 120.43 2jq6 h GLU 75 Ca 0.22 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2jq6 h GLU 75 Cb -0.02 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2jq6 h GLU 75 CO -0.08 -0.27 0.00 0.00 -1.16 0.00 0.00 179.01 177.50 2jq6 h MET 76 N -0.44 0.00 -0.02 2.33 -0.00 -1.06 -1.69 114.93 114.05 2jq6 h MET 76 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.61 2jq6 h MET 76 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2jq6 h MET 76 CO 0.07 0.00 -0.18 0.28 -0.00 0.00 0.00 176.91 177.08 2jq6 h VAL 77 N 0.00 1.51 0.00 -0.10 2.07 0.29 -3.26 116.25 116.75 2jq6 h VAL 77 Ca 0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2jq6 h VAL 77 Cb 0.51 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2jq6 h VAL 77 CO 0.00 0.48 0.00 2.29 0.02 0.00 0.00 177.57 180.36 2jq6 n LYS 78 N -4.57 0.14 0.00 1.57 2.85 0.32 -0.12 118.16 118.34 2jq6 n LYS 78 Ca -0.09 0.36 0.04 0.00 -1.05 0.00 0.00 58.31 57.58 2jq6 n LYS 78 Cb 0.44 -1.76 0.21 0.00 -0.65 0.00 0.00 35.03 33.27 2jq6 n LYS 78 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jq6 n SER 79 N -2.03 0.00 -2.46 -5.58 2.88 -0.68 -4.90 113.62 100.85 2jq6 n SER 79 Ca 0.03 0.29 -0.02 0.00 -1.33 0.00 0.00 58.87 57.83 2jq6 n SER 79 Cb 0.22 -0.37 0.01 0.00 -0.75 0.00 0.00 64.21 63.32 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jq6 n LYS 80 N -1.37 -0.93 -4.23 -1.46 5.02 0.82 -5.06 118.16 110.96 2jq6 n LYS 80 Ca 0.03 0.96 -0.13 0.00 -2.02 0.00 0.00 58.31 57.15 2jq6 n LYS 80 Cb 0.08 -4.06 -0.10 0.00 -0.02 0.00 0.00 35.03 30.93 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 -3.50 2.52 0.74 -0.35 1.43 -1.24 -5.11 118.68 113.17 2jq6 s LEU 81 Ca 0.07 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 2jq6 s LEU 81 Cb -0.01 -0.28 0.03 0.00 0.03 0.00 0.00 46.19 45.96 2jq6 s LEU 81 CO 0.45 -0.36 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 2jq6 s PRO 82 N -3.71 2.57 0.59 1.29 0.04 -1.26 -4.88 135.00 129.63 2jq6 s PRO 82 Ca 0.15 0.64 0.32 0.00 0.04 0.00 0.00 61.00 62.14 2jq6 s PRO 82 Cb 0.03 -1.97 1.82 0.00 0.04 0.00 0.00 34.50 34.42 2jq6 s PRO 82 CO -0.01 -1.28 2.22 -0.91 0.04 0.00 0.00 177.00 177.07 2jq6 h ASN 83 N -0.84 0.00 -0.09 6.66 -0.26 -1.99 -1.80 115.58 117.26 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 1.25 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2jq6 h ASN 83 CO 0.61 0.03 0.04 0.74 -1.06 0.00 0.00 177.43 177.79 2jq6 h THR 84 N 0.00 1.13 -0.36 2.81 2.02 -1.99 0.18 112.91 116.71 2jq6 h THR 84 Ca -0.00 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 2jq6 h THR 84 Cb 0.10 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2jq6 h THR 84 CO 0.00 0.11 -0.07 0.58 0.37 0.00 0.00 175.52 176.51 2jq6 h VAL 85 N 0.00 1.28 -0.42 3.16 2.07 -1.73 -1.99 116.25 118.61 2jq6 h VAL 85 Ca 0.03 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.49 2jq6 h VAL 85 Cb 0.14 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 2jq6 h VAL 85 CO -0.00 0.37 -0.46 -0.07 0.02 0.00 0.00 177.57 177.43 2jq6 h LEU 86 N 0.47 -1.53 -0.85 2.57 -0.00 -1.27 0.18 115.31 114.88 2jq6 h LEU 86 Ca 0.09 0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 2jq6 h LEU 86 Cb 0.57 0.66 -0.04 0.00 -0.00 0.00 0.00 40.66 41.85 2jq6 h LEU 86 CO 0.03 -0.38 0.48 1.23 -0.00 0.00 0.00 178.44 179.81 2jq6 h GLY 87 N -0.34 1.26 1.47 0.83 0.00 -0.42 -0.71 103.07 105.17 2jq6 h GLY 87 Ca 0.13 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 2jq6 h GLY 87 CO -0.59 0.54 -0.95 0.07 0.00 0.00 0.00 176.54 175.60 2jq6 h LYS 88 N 1.18 0.00 -0.47 4.80 2.10 -1.08 -1.06 116.57 122.03 2jq6 h LYS 88 Ca 0.30 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.90 2jq6 h LYS 88 Cb 0.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2jq6 h LYS 88 CO -0.05 0.37 0.08 0.82 -2.00 0.00 0.00 179.45 178.67 2jq6 h ILE 89 N 0.00 1.25 0.33 0.07 2.04 -0.49 -1.54 117.51 119.17 2jq6 h ILE 89 Ca -0.08 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2jq6 h ILE 89 Cb 1.46 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2jq6 h ILE 89 CO 0.05 0.32 -0.16 -0.25 0.00 0.00 0.00 178.15 178.12 2jq6 h TRP 90 N 0.65 -0.41 0.00 1.37 2.91 -1.06 -1.09 115.95 118.33 2jq6 h TRP 90 Ca 0.14 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2jq6 h TRP 90 Cb 0.39 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.18 2jq6 h TRP 90 CO 0.03 -0.23 0.00 0.36 -1.03 0.00 0.00 178.44 177.56 2jq6 n LYS 91 N -5.27 0.11 0.03 2.65 2.85 -0.41 0.42 118.16 118.54 2jq6 n LYS 91 Ca -0.10 0.27 0.01 0.00 -1.05 0.00 0.00 58.31 57.44 2jq6 n LYS 91 Cb 0.20 -1.68 -0.08 0.00 -0.65 0.00 0.00 35.03 32.82 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 -1.87 0.76 -0.06 -5.58 7.94 -0.58 -4.39 117.00 113.21 2jq6 n LEU 92 Ca 0.04 0.33 -0.22 0.00 -1.11 0.00 0.00 56.01 55.05 2jq6 n LEU 92 Cb 0.25 0.08 -0.13 0.00 0.53 0.00 0.00 43.42 44.16 2jq6 n LEU 92 CO 0.20 0.12 -0.92 0.00 -1.11 0.00 0.00 177.39 175.68 2jq6 n ALA 93 N -2.39 1.00 -2.88 1.96 0.00 -0.44 -4.74 120.51 113.03 2jq6 n ALA 93 Ca -0.10 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 2jq6 n ALA 93 Cb 0.81 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -6.95 6.42 0.56 0.00 2.15 0.17 -4.78 116.67 114.24 2jq6 s ASP 94 Ca -0.28 -1.57 0.32 0.00 0.43 0.00 0.00 52.55 51.45 2jq6 s ASP 94 Cb 0.08 -2.42 1.65 0.00 -0.30 0.00 0.00 42.92 41.93 2jq6 s ASP 94 CO 0.67 -1.25 2.13 0.58 -0.17 0.00 0.00 175.17 177.13 2jq6 h VAL 95 N 5.95 0.38 0.00 1.11 2.07 -1.85 -2.63 116.25 121.28 2jq6 h VAL 95 Ca -0.03 -0.39 -0.22 0.00 0.82 0.00 0.00 66.70 66.88 2jq6 h VAL 95 Cb 1.04 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 2jq6 h VAL 95 CO 1.16 0.07 -1.87 0.47 0.02 0.00 0.00 177.57 177.42 2jq6 n ASP 96 N -3.48 0.44 -3.25 0.57 8.00 -1.26 -5.00 116.55 112.57 2jq6 n ASP 96 Ca -0.02 0.20 -0.15 0.00 0.71 0.00 0.00 54.79 55.53 2jq6 n ASP 96 Cb 0.20 0.70 0.07 0.00 -0.02 0.00 0.00 41.12 42.08 2jq6 n ASP 96 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jq6 n LYS 97 N -2.76 -2.78 -0.01 -1.24 5.02 -0.99 -4.95 118.16 110.45 2jq6 n LYS 97 Ca -0.17 0.86 0.08 0.00 -2.02 0.00 0.00 58.31 57.05 2jq6 n LYS 97 Cb 0.93 -5.80 -0.11 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.20 1.43 0.00 4.39 5.68 -1.26 -4.99 116.55 118.60 2jq6 n ASP 98 Ca -0.10 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 2jq6 n ASP 98 Cb 0.63 1.61 0.00 0.00 -1.14 0.00 0.00 41.12 42.22 2jq6 n ASP 98 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jq6 n GLY 99 N 1.60 0.88 3.49 6.12 0.00 -1.26 -5.03 105.19 110.99 2jq6 n GLY 99 Ca -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 2jq6 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jq6 s LEU 100 N 0.00 1.04 -0.22 0.99 0.05 -1.26 -0.10 118.68 119.18 2jq6 s LEU 100 Ca 0.00 -1.51 -0.04 0.00 0.05 0.00 0.00 54.13 52.62 2jq6 s LEU 100 Cb 0.00 1.48 0.11 0.00 -2.05 0.00 0.00 46.19 45.73 2jq6 s LEU 100 CO 0.00 -1.32 0.38 -0.76 -0.55 0.00 0.00 176.35 174.11 2jq6 s LEU 101 N -3.25 -0.61 0.00 1.48 1.43 -0.02 -4.77 118.68 112.94 2jq6 s LEU 101 Ca 0.31 0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2jq6 s LEU 101 Cb -0.01 1.17 0.10 0.00 0.03 0.00 0.00 46.19 47.49 2jq6 s LEU 101 CO 0.21 -0.27 0.58 -0.90 0.23 0.00 0.00 176.35 176.20 2jq6 n ASP 102 N 5.37 -0.11 -0.04 2.29 5.68 -1.26 -0.43 116.55 128.05 2jq6 n ASP 102 Ca -0.06 -1.17 0.09 0.00 -0.50 0.00 0.00 54.79 53.15 2jq6 n ASP 102 Cb 0.50 -0.45 0.47 0.00 -1.14 0.00 0.00 41.12 40.50 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 -0.88 0.40 0.93 -1.12 3.04 -1.97 0.64 116.42 117.46 2jq6 h ASP 103 Ca -0.19 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.42 2jq6 h ASP 103 Cb 0.53 -0.09 -0.03 0.00 -1.04 0.00 0.00 39.33 38.71 2jq6 h ASP 103 CO 0.13 0.26 -1.15 -0.08 -2.04 0.00 0.00 179.24 176.36 2jq6 h GLU 104 N 0.46 0.00 -0.02 4.15 4.81 -1.94 -1.99 114.58 120.05 2jq6 h GLU 104 Ca 0.22 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.26 2jq6 h GLU 104 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jq6 h GLU 104 CO -0.06 0.50 -0.84 0.93 -0.73 0.00 0.00 179.01 178.81 2jq6 h GLU 105 N 0.00 0.27 -0.52 1.92 5.08 -1.47 -1.59 114.58 118.28 2jq6 h GLU 105 Ca -0.12 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 2jq6 h GLU 105 Cb 1.64 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 2jq6 h GLU 105 CO 0.07 0.97 -0.07 0.35 -1.00 0.00 0.00 179.01 179.33 2jq6 h PHE 106 N 0.16 1.07 -0.44 4.33 3.04 0.19 -0.17 116.94 125.12 2jq6 h PHE 106 Ca -0.05 -0.21 0.08 0.00 3.98 0.00 0.00 57.97 61.78 2jq6 h PHE 106 Cb 1.45 -0.27 -0.07 0.00 2.56 0.00 0.00 35.95 39.62 2jq6 h PHE 106 CO 0.04 1.00 -0.02 0.00 -2.02 0.00 0.00 178.31 177.31 2jq6 h ALA 107 N 0.92 0.39 0.24 2.41 0.00 -1.11 0.17 119.26 122.28 2jq6 h ALA 107 Ca 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jq6 h ALA 107 Cb 0.62 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jq6 h ALA 107 CO 0.04 -0.40 -0.12 1.25 0.00 0.00 0.00 179.25 180.02 2jq6 h LEU 108 N 0.09 -0.27 -0.36 0.00 6.46 -1.14 -1.88 115.31 118.22 2jq6 h LEU 108 Ca 0.22 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 2jq6 h LEU 108 Cb 0.32 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.23 2jq6 h LEU 108 CO -0.38 0.04 -0.27 0.00 -0.62 0.00 0.00 178.44 177.21 2jq6 h ALA 109 N 0.07 -0.09 -0.07 1.25 0.00 -0.57 0.13 119.26 119.98 2jq6 h ALA 109 Ca -0.03 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2jq6 h ALA 109 Cb 0.43 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jq6 h ALA 109 CO 0.05 -0.67 -0.52 -0.97 0.00 0.00 0.00 179.25 177.15 2jq6 h ASN 110 N -0.22 0.21 -0.17 0.00 -0.73 -0.74 -1.52 115.58 112.41 2jq6 h ASN 110 Ca 0.17 -0.11 -0.09 0.00 1.87 0.00 0.00 56.30 58.15 2jq6 h ASN 110 Cb 0.49 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 2jq6 h ASN 110 CO -0.48 0.69 -0.16 -0.74 -0.37 0.00 0.00 177.43 176.37 2jq6 h HIS 111 N 0.15 0.62 -0.28 0.67 2.76 -0.47 -0.74 115.15 117.86 2jq6 h HIS 111 Ca 0.00 -0.11 -0.13 0.00 -2.20 0.00 0.00 60.37 57.93 2jq6 h HIS 111 Cb 0.97 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 2jq6 h HIS 111 CO 0.01 0.70 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.91 2jq6 h LEU 112 N 0.51 0.67 -0.85 0.26 3.38 -0.18 0.31 115.31 119.42 2jq6 h LEU 112 Ca 0.09 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2jq6 h LEU 112 Cb 0.58 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2jq6 h LEU 112 CO 0.04 0.97 0.55 0.40 0.09 0.00 0.00 178.44 180.50 2jq6 h ILE 113 N 0.54 1.19 -0.20 1.22 1.08 -0.73 0.11 117.51 120.72 2jq6 h ILE 113 Ca 0.05 -0.38 0.03 0.00 -0.39 0.00 0.00 64.86 64.17 2jq6 h ILE 113 Cb 0.87 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 2jq6 h ILE 113 CO 0.08 0.20 0.01 0.50 -0.69 0.00 0.00 178.15 178.24 2jq6 h LYS 114 N 1.11 0.07 -0.78 2.37 3.11 -0.71 -0.18 116.57 121.56 2jq6 h LYS 114 Ca 0.32 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 2jq6 h LYS 114 Cb -0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.10 2jq6 h LYS 114 CO -0.09 0.05 0.50 0.28 -2.81 0.00 0.00 179.45 177.38 2jq6 h VAL 115 N 0.07 1.21 0.00 2.00 2.07 -0.12 -0.59 116.25 120.89 2jq6 h VAL 115 Ca 0.09 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2jq6 h VAL 115 Cb 0.11 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2jq6 h VAL 115 CO -0.15 0.21 -0.12 0.07 0.02 0.00 0.00 177.57 177.60 2jq6 h LYS 116 N 1.07 0.00 0.00 1.57 2.10 -0.68 -2.99 116.57 117.64 2jq6 h LYS 116 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 2jq6 h LYS 116 Cb -0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 2jq6 h LYS 116 CO -0.06 0.12 0.00 1.25 -2.00 0.00 0.00 179.45 178.76 2jq6 h LEU 117 N 0.00 0.00 -1.72 7.07 5.85 0.47 -3.09 115.31 123.89 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 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2jq6 h LEU 117 CO 0.02 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 177.79 2jq6 h GLU 118 N 0.00 0.00 0.00 1.25 5.08 -1.11 -3.44 114.58 116.35 2jq6 h GLU 118 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jq6 h GLU 118 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2jq6 h GLU 118 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2jq6 n GLY 119 N -0.86 1.05 3.16 -3.84 0.00 -1.17 -5.10 105.19 98.44 2jq6 n GLY 119 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 1.53 0.57 1.61 -3.43 -1.25 -5.11 115.29 107.22 2jq6 s HIS 120 Ca 0.00 -0.29 -0.18 0.00 -0.80 0.00 0.00 55.06 53.79 2jq6 s HIS 120 Cb 0.00 -0.98 -0.05 0.00 -1.43 0.00 0.00 32.58 30.12 2jq6 s HIS 120 CO 0.00 -0.02 1.09 -2.00 -2.00 0.00 0.00 174.74 171.81 2jq6 s GLU 121 N -0.46 3.31 0.36 -0.38 2.12 -1.26 -3.82 118.70 118.56 2jq6 s GLU 121 Ca 0.06 1.42 -0.28 0.00 0.36 0.00 0.00 54.97 56.54 2jq6 s GLU 121 Cb -0.07 -2.02 -0.10 0.00 0.26 0.00 0.00 34.13 32.21 2jq6 s GLU 121 CO -0.00 -0.85 1.29 -0.51 -0.54 0.00 0.00 175.26 174.64 2jq6 s LEU 122 N -4.13 4.35 0.00 2.70 1.43 -1.26 -4.93 118.68 116.84 2jq6 s LEU 122 Ca 0.68 2.63 0.21 0.00 -1.03 0.00 0.00 54.13 56.63 2jq6 s LEU 122 Cb -0.20 -3.76 0.85 0.00 0.03 0.00 0.00 46.19 43.11 2jq6 s LEU 122 CO 0.31 -0.63 1.60 -0.81 0.23 0.00 0.00 176.35 177.05 2jq6 n PRO 123 N 0.55 1.57 -1.57 1.29 -0.04 -1.26 -4.88 135.00 130.65 2jq6 n PRO 123 Ca 0.01 -0.85 -0.20 0.00 -0.04 0.00 0.00 63.50 62.42 2jq6 n PRO 123 Cb 0.43 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.07 -0.30 -2.71 0.55 0.00 -1.26 -4.95 120.51 111.91 2jq6 n ALA 124 Ca 0.16 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2jq6 n ALA 124 Cb 0.27 -1.96 -0.13 0.00 0.00 0.00 0.00 19.45 17.64 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 -2.67 4.22 -0.35 0.00 2.15 -1.26 -5.08 116.67 113.67 2jq6 s ASP 125 Ca 0.00 -0.19 -0.00 0.00 0.43 0.00 0.00 52.55 52.79 2jq6 s ASP 125 Cb 0.00 -1.22 0.09 0.00 -0.30 0.00 0.00 42.92 41.49 2jq6 s ASP 125 CO 0.00 0.28 0.09 -0.22 -0.17 0.00 0.00 175.17 175.15 2jq6 s LEU 126 N -0.34 4.71 0.57 -1.34 0.20 -1.26 -5.10 118.68 116.12 2jq6 s LEU 126 Ca 0.04 -1.88 -0.14 0.00 0.69 0.00 0.00 54.13 52.84 2jq6 s LEU 126 Cb -0.13 -1.72 -0.06 0.00 -0.43 0.00 0.00 46.19 43.85 2jq6 s LEU 126 CO 0.02 -0.41 1.01 -2.16 -0.29 0.00 0.00 176.35 174.52 2jq6 s PRO 127 N 1.08 3.77 0.28 0.98 0.05 -1.26 -4.97 135.00 134.92 2jq6 s PRO 127 Ca 0.05 0.85 0.00 0.00 0.05 0.00 0.00 61.00 61.96 2jq6 s PRO 127 Cb -0.21 -2.11 0.52 0.00 0.05 0.00 0.00 34.50 32.75 2jq6 s PRO 127 CO -0.05 -0.43 1.84 -1.35 0.05 0.00 0.00 177.00 177.06 2jq6 h PRO 128 N 0.29 0.96 -1.08 0.56 0.11 -1.96 -0.78 132.00 130.11 2jq6 h PRO 128 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2jq6 h PRO 128 Cb 1.19 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2jq6 h PRO 128 CO 0.62 0.64 0.06 -2.39 -0.21 0.00 0.00 178.00 176.72 2jq6 n HIS 129 N -4.62 0.29 -1.34 0.65 1.44 -1.26 -2.86 115.22 107.52 2jq6 n HIS 129 Ca 0.18 -0.68 0.00 0.00 -2.01 0.00 0.00 57.72 55.21 2jq6 n HIS 129 Cb 0.32 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 30.09 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 0.43 0.00 -4.54 2.39 4.32 -0.30 -4.14 117.00 115.16 2jq6 n LEU 130 Ca 0.06 -0.17 -0.41 0.00 -0.02 0.00 0.00 56.01 55.47 2jq6 n LEU 130 Cb 0.60 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.31 2jq6 n LEU 130 CO 0.06 0.17 0.02 -0.69 -1.22 0.00 0.00 177.39 175.73 2jq6 s VAL 131 N 0.00 5.17 0.05 4.08 1.01 -1.14 -4.91 120.40 124.67 2jq6 s VAL 131 Ca 0.00 0.02 -0.37 0.00 0.00 0.00 0.00 61.98 61.63 2jq6 s VAL 131 Cb 0.00 -3.82 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 2jq6 s VAL 131 CO 0.00 -0.10 1.44 -2.65 0.00 0.00 0.00 175.10 173.80 2jq6 n PRO 132 N 5.37 1.32 -0.43 2.72 -0.02 -1.26 -4.84 135.00 137.86 2jq6 n PRO 132 Ca -0.09 0.48 0.38 0.00 -2.02 0.00 0.00 63.50 62.24 2jq6 n PRO 132 Cb 0.49 -2.15 0.71 0.00 -0.02 0.00 0.00 33.50 32.54 2jq6 n PRO 132 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jq6 h PRO 133 N 5.23 0.07 0.00 0.52 0.11 -1.97 0.86 132.00 136.82 2jq6 h PRO 133 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jq6 h PRO 133 Cb 1.32 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2jq6 h PRO 133 CO 0.82 0.05 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 2jq6 h SER 134 N 0.07 0.00 0.24 -2.05 4.64 -1.99 -3.11 113.55 111.36 2jq6 h SER 134 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 2jq6 h SER 134 Cb 2.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.63 2jq6 h SER 134 CO -0.12 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.09 2jq6 n LYS 135 N -2.95 0.85 -3.16 4.77 4.76 0.30 -3.70 118.16 119.02 2jq6 n LYS 135 Ca -0.00 -0.19 -0.34 0.00 -2.87 0.00 0.00 58.31 54.91 2jq6 n LYS 135 Cb 0.23 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 2jq6 n LYS 135 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2jq6 n ARG 136 N -0.91 3.59 -3.66 1.97 1.85 -1.17 -4.98 116.66 113.35 2jq6 n ARG 136 Ca 0.18 -4.64 -0.06 0.00 -1.00 0.00 0.00 57.85 52.33 2jq6 n ARG 136 Cb 0.22 -2.37 -0.07 0.00 -1.05 0.00 0.00 32.46 29.18 2jq6 n ARG 136 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jq6 s ARG 137 N -2.82 0.42 -0.24 2.89 0.52 -1.24 -5.11 118.95 113.36 2jq6 s ARG 137 Ca 0.37 1.19 -0.01 0.00 -0.52 0.00 0.00 55.73 56.76 2jq6 s ARG 137 Cb 0.12 0.53 0.07 0.00 0.52 0.00 0.00 34.95 36.19 2jq6 s ARG 137 CO 0.02 -0.23 0.03 -1.58 0.02 0.00 0.00 175.30 173.56 2jq6 s HIS 138 N 2.69 1.73 -2.03 -0.53 2.46 -1.26 -5.15 115.29 113.20 2jq6 s HIS 138 Ca -0.03 -1.45 0.32 0.00 0.47 0.00 0.00 55.06 54.36 2jq6 s HIS 138 Cb -0.12 -1.46 1.86 0.00 -0.13 0.00 0.00 32.58 32.74 2jq6 s HIS 138 CO -0.15 -0.75 2.20 -1.91 -2.47 0.00 0.00 174.74 171.66