#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6q s ASN 33 N 0.00 -0.92 -1.49 4.04 3.84 -1.26 -5.07 114.94 114.08 1j6q s ASN 33 Ca 0.00 1.47 -0.11 0.00 0.21 0.00 0.00 52.86 54.44 1j6q s ASN 33 Cb 0.00 1.38 -0.06 0.00 -0.55 0.00 0.00 41.25 42.01 1j6q s ASN 33 CO 0.00 -0.23 2.71 0.18 -2.79 0.00 0.00 177.10 176.96 1j6q n LEU 34 N 4.27 7.86 -3.37 3.21 4.32 -1.26 -4.79 117.00 127.23 1j6q n LEU 34 Ca -0.20 -4.11 -0.35 0.00 -0.02 0.00 0.00 56.01 51.33 1j6q n LEU 34 Cb 0.59 -1.51 -0.02 0.00 -1.62 0.00 0.00 43.42 40.86 1j6q n LEU 34 CO -0.02 1.67 2.83 0.59 -1.22 0.00 0.00 177.39 181.23 1j6q n ASN 35 N 4.21 6.07 -4.95 -1.43 3.02 -1.26 -4.29 115.26 116.64 1j6q n ASN 35 Ca 0.69 -2.55 -0.20 0.00 -0.03 0.00 0.00 54.58 52.49 1j6q n ASN 35 Cb 0.25 -1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.02 1j6q n ASN 35 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1j6q s LEU 36 N 0.60 4.08 -0.28 3.41 2.34 -1.26 -4.78 118.68 122.79 1j6q s LEU 36 Ca 0.55 -0.10 -0.19 0.00 0.06 0.00 0.00 54.13 54.45 1j6q s LEU 36 Cb 0.15 -2.70 -0.02 0.00 -0.56 0.00 0.00 46.19 43.05 1j6q s LEU 36 CO -0.04 -0.21 0.58 -0.36 -1.06 0.00 0.00 176.35 175.27 1j6q s PHE 37 N -2.09 3.24 0.02 3.48 0.40 -1.26 -0.53 117.98 121.25 1j6q s PHE 37 Ca 0.38 0.61 0.06 0.00 -0.60 0.00 0.00 56.93 57.38 1j6q s PHE 37 Cb -0.09 -2.87 -0.02 0.00 0.51 0.00 0.00 43.02 40.55 1j6q s PHE 37 CO 0.29 -0.39 -0.18 -0.47 0.70 0.00 0.00 175.22 175.17 1j6q s TYR 38 N 2.47 1.59 0.33 0.36 5.04 0.35 -4.89 117.35 122.61 1j6q s TYR 38 Ca 0.23 -0.34 -0.27 0.00 -2.44 0.00 0.00 57.07 54.25 1j6q s TYR 38 Cb -0.15 -0.97 -0.09 0.00 0.35 0.00 0.00 41.96 41.09 1j6q s TYR 38 CO 0.10 0.04 1.09 0.95 -1.34 0.00 0.00 175.55 176.39 1j6q s THR 39 N -0.68 3.54 0.19 4.34 -4.23 -1.26 -0.54 115.64 117.00 1j6q s THR 39 Ca 0.06 1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 61.84 1j6q s THR 39 Cb -0.08 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.04 1j6q s THR 39 CO 0.01 0.21 1.74 1.55 -0.54 0.00 0.00 174.62 177.59 1j6q h PRO 40 N 3.24 0.33 -0.92 3.99 0.13 -1.84 -1.14 132.00 135.80 1j6q h PRO 40 Ca -0.47 -0.02 0.25 0.00 -0.87 0.00 0.00 66.00 64.89 1j6q h PRO 40 Cb 1.21 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1j6q h PRO 40 CO 0.65 0.22 0.39 0.77 -0.23 0.00 0.00 178.00 179.80 1j6q h SER 41 N 0.34 0.27 0.55 1.44 0.02 -1.86 -0.16 113.55 114.15 1j6q h SER 41 Ca 0.25 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1j6q h SER 41 Cb 0.29 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1j6q h SER 41 CO -0.27 -0.08 -0.31 -0.08 -1.14 0.00 0.00 176.83 174.95 1j6q h GLU 42 N 0.32 -0.78 -2.01 3.45 4.57 -1.54 -1.09 114.58 117.51 1j6q h GLU 42 Ca 0.60 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.80 1j6q h GLU 42 Cb 1.23 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1j6q h GLU 42 CO -0.59 -0.52 -0.08 0.44 -1.18 0.00 0.00 179.01 177.08 1j6q n ILE 43 N -5.45 2.15 0.08 2.32 -5.35 -0.09 -2.74 119.36 110.28 1j6q n ILE 43 Ca -0.12 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 1j6q n ILE 43 Cb 0.35 -1.59 0.00 0.00 -1.74 0.00 0.00 39.64 36.65 1j6q n ILE 43 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1j6q n VAL 44 N 1.73 0.00 -2.24 7.28 0.31 -1.03 -3.85 118.33 120.52 1j6q n VAL 44 Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.09 1j6q n VAL 44 Cb 0.57 -0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 33.01 1j6q n VAL 44 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1j6q s ASN 45 N -4.72 5.63 -0.54 4.52 0.01 -0.44 -3.99 114.94 115.40 1j6q s ASN 45 Ca 0.00 -1.89 -0.01 0.00 -0.71 0.00 0.00 52.86 50.25 1j6q s ASN 45 Cb 0.00 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 1j6q s ASN 45 CO 0.00 -2.45 0.46 0.61 -1.51 0.00 0.00 177.10 174.21 1j6q n GLY 46 N 5.72 0.01 0.00 0.66 0.00 -1.26 -4.95 105.19 105.37 1j6q n GLY 46 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1j6q n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j6q n LYS 47 N -2.42 0.00 0.34 1.61 5.02 -1.26 -4.58 118.16 116.88 1j6q n LYS 47 Ca -0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.06 1j6q n LYS 47 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.52 1j6q n LYS 47 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1j6q h THR 48 N 0.00 0.00 -0.89 -0.18 2.02 -1.81 0.54 112.91 112.59 1j6q h THR 48 Ca 0.00 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 67.13 1j6q h THR 48 Cb 0.00 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.27 1j6q h THR 48 CO 0.00 0.00 -0.37 -0.67 0.37 0.00 0.00 175.52 174.85 1j6q n ASP 49 N -4.87 -0.63 -0.11 4.18 2.03 -1.25 -0.34 116.55 115.56 1j6q n ASP 49 Ca -0.11 1.56 0.13 0.00 0.52 0.00 0.00 54.79 56.89 1j6q n ASP 49 Cb 0.35 -0.33 0.48 0.00 -0.72 0.00 0.00 41.12 40.90 1j6q n ASP 49 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1j6q n THR 50 N -5.28 0.00 -4.04 5.18 -1.04 -1.22 -4.81 114.28 103.06 1j6q n THR 50 Ca 0.08 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.71 1j6q n THR 50 Cb 0.34 0.04 0.01 0.00 -1.82 0.00 0.00 70.33 68.89 1j6q n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j6q n GLY 51 N 1.36 -0.48 0.13 3.41 0.00 0.54 -4.91 105.19 105.25 1j6q n GLY 51 Ca 0.11 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 1j6q n GLY 51 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j6q n VAL 52 N -4.58 1.66 0.00 1.61 0.24 -0.22 -4.82 118.33 112.22 1j6q n VAL 52 Ca 0.06 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1j6q n VAL 52 Cb 0.51 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 1j6q n VAL 52 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1j6q n LYS 53 N -3.53 0.00 -2.41 7.34 4.76 -1.25 -4.93 118.16 118.14 1j6q n LYS 53 Ca -0.37 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.64 1j6q n LYS 53 Cb 0.99 -0.22 -0.02 0.00 -1.84 0.00 0.00 35.03 33.94 1j6q n LYS 53 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1j6q s PRO 54 N -0.52 3.76 0.66 1.97 0.04 -1.26 -5.02 135.00 134.63 1j6q s PRO 54 Ca 0.00 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.93 1j6q s PRO 54 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1j6q s PRO 54 CO 0.00 -1.33 1.15 -1.21 0.04 0.00 0.00 177.00 175.65 1j6q s GLU 55 N 4.51 2.70 0.91 4.56 2.02 -1.26 -4.58 118.70 127.56 1j6q s GLU 55 Ca 0.57 1.55 -0.10 0.00 0.02 0.00 0.00 54.97 57.01 1j6q s GLU 55 Cb -0.14 -1.92 0.14 0.00 0.10 0.00 0.00 34.13 32.31 1j6q s GLU 55 CO 0.28 -1.36 1.14 0.00 0.02 0.00 0.00 175.26 175.34 1j6q s ALA 56 N -2.11 1.45 0.00 5.21 0.00 -1.26 -3.92 121.76 121.12 1j6q s ALA 56 Ca 0.70 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1j6q s ALA 56 Cb -0.24 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1j6q s ALA 56 CO 0.40 -2.72 0.00 0.41 0.00 0.00 0.00 175.76 173.85 1j6q n GLY 57 N 0.09 0.78 3.89 0.00 0.00 0.51 -4.98 105.19 105.49 1j6q n GLY 57 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1j6q n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j6q s GLN 58 N -0.57 3.62 0.15 1.61 -0.21 -1.25 -4.76 119.66 118.25 1j6q s GLN 58 Ca 0.00 -0.08 -0.25 0.00 0.02 0.00 0.00 55.36 55.05 1j6q s GLN 58 Cb 0.00 -2.92 -0.08 0.00 1.00 0.00 0.00 33.01 31.01 1j6q s GLN 58 CO 0.00 0.52 0.77 1.03 -2.12 0.00 0.00 175.29 175.49 1j6q s ARG 59 N -2.40 4.55 0.30 2.91 0.52 -1.26 -0.71 118.95 122.86 1j6q s ARG 59 Ca 0.37 1.14 -0.07 0.00 -0.52 0.00 0.00 55.73 56.65 1j6q s ARG 59 Cb -0.13 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.07 1j6q s ARG 59 CO 0.23 0.55 0.46 0.96 0.02 0.00 0.00 175.30 177.52 1j6q s ILE 60 N -1.05 0.00 -0.18 1.52 -4.36 -1.22 -4.33 121.20 111.58 1j6q s ILE 60 Ca 0.36 -1.53 0.01 0.00 -0.26 0.00 0.00 60.65 59.22 1j6q s ILE 60 Cb -0.23 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.02 1j6q s ILE 60 CO 0.26 0.00 -0.18 -0.13 0.24 0.00 0.00 174.94 175.13 1j6q s ARG 61 N -3.47 3.05 0.30 0.37 0.52 0.32 -3.16 118.95 116.87 1j6q s ARG 61 Ca 0.27 -0.80 -0.28 0.00 -0.52 0.00 0.00 55.73 54.40 1j6q s ARG 61 Cb -0.00 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 32.77 1j6q s ARG 61 CO 0.15 -0.17 0.99 0.54 0.02 0.00 0.00 175.30 176.83 1j6q s VAL 62 N 1.23 3.93 -0.06 3.52 0.11 0.37 -0.49 120.40 129.00 1j6q s VAL 62 Ca 0.03 1.77 -0.01 0.00 -2.93 0.00 0.00 61.98 60.84 1j6q s VAL 62 Cb -0.14 -4.06 0.03 0.00 -1.53 0.00 0.00 36.38 30.68 1j6q s VAL 62 CO -0.10 0.29 -0.00 -0.83 -3.33 0.00 0.00 175.10 171.13 1j6q s GLY 63 N -1.29 0.44 0.02 6.54 0.00 0.30 -0.44 107.32 112.89 1j6q s GLY 63 Ca 0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 44.72 45.04 1j6q s GLY 63 CO 0.31 1.01 0.31 0.61 0.00 0.00 0.00 173.10 175.34 1j6q n GLY 64 N 4.92 0.78 3.76 0.20 0.00 -0.93 -4.09 105.19 109.83 1j6q n GLY 64 Ca -0.11 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1j6q n GLY 64 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j6q s MET 65 N -2.01 3.82 -0.20 1.61 0.23 0.21 -1.64 119.30 121.33 1j6q s MET 65 Ca 0.07 -0.23 -0.29 0.00 -1.03 0.00 0.00 55.69 54.21 1j6q s MET 65 Cb -0.00 -3.26 -0.01 0.00 -1.53 0.00 0.00 34.83 30.03 1j6q s MET 65 CO 0.01 0.48 1.24 0.08 -2.03 0.00 0.00 175.02 174.80 1j6q s VAL 66 N -0.18 4.31 0.00 5.16 1.01 0.27 -0.78 120.40 130.18 1j6q s VAL 66 Ca 0.10 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1j6q s VAL 66 Cb -0.12 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1j6q s VAL 66 CO 0.01 -0.20 2.00 -0.89 0.00 0.00 0.00 175.10 176.02 1j6q s THR 67 N 3.61 3.02 0.29 3.92 2.01 -1.16 -3.39 115.64 123.93 1j6q s THR 67 Ca 0.54 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.58 1j6q s THR 67 Cb -0.20 -3.01 0.30 0.00 0.01 0.00 0.00 72.50 69.59 1j6q s THR 67 CO 0.15 -0.00 1.67 1.62 -0.69 0.00 0.00 174.62 177.36 1j6q h VAL 68 N 5.84 0.38 -2.29 3.82 3.04 -1.93 -2.58 116.25 122.53 1j6q h VAL 68 Ca -0.48 -0.10 -0.64 0.00 -1.01 0.00 0.00 66.70 64.47 1j6q h VAL 68 Cb 1.24 0.08 -0.39 0.00 -2.01 0.00 0.00 31.29 30.21 1j6q h VAL 68 CO 0.94 0.05 -0.30 0.61 -1.01 0.00 0.00 177.57 177.87 1j6q n GLY 69 N -1.36 5.61 0.00 3.17 0.00 -1.26 -4.60 105.19 106.75 1j6q n GLY 69 Ca 0.21 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1j6q n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j6q n SER 70 N -0.05 0.08 -4.60 1.61 7.64 -0.97 -5.03 113.62 112.29 1j6q n SER 70 Ca 0.34 -0.59 -0.43 0.00 1.01 0.00 0.00 58.87 59.19 1j6q n SER 70 Cb 0.37 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1j6q n SER 70 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1j6q s MET 71 N -0.06 3.41 0.07 1.43 1.75 -1.26 -3.83 119.30 120.81 1j6q s MET 71 Ca 0.00 1.36 0.08 0.00 -1.25 0.00 0.00 55.69 55.88 1j6q s MET 71 Cb 0.00 -4.16 -0.03 0.00 2.84 0.00 0.00 34.83 33.48 1j6q s MET 71 CO 0.00 -1.76 -0.21 0.14 -0.65 0.00 0.00 175.02 172.53 1j6q s VAL 72 N 6.50 1.74 0.02 10.11 -7.23 -0.26 -5.02 120.40 126.25 1j6q s VAL 72 Ca 0.76 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1j6q s VAL 72 Cb -0.21 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1j6q s VAL 72 CO 0.33 0.10 -0.03 0.00 -0.31 0.00 0.00 175.10 175.19 1j6q s ARG 73 N -1.52 0.27 0.46 4.82 1.70 -1.26 -0.90 118.95 122.52 1j6q s ARG 73 Ca 0.08 -0.43 -0.21 0.00 -0.47 0.00 0.00 55.73 54.70 1j6q s ARG 73 Cb -0.09 -0.03 -0.09 0.00 -0.57 0.00 0.00 34.95 34.16 1j6q s ARG 73 CO 0.03 -0.01 1.01 -0.51 -1.08 0.00 0.00 175.30 174.74 1j6q s ASP 74 N -0.96 6.58 0.58 -2.89 1.11 -0.12 -4.94 116.67 116.03 1j6q s ASP 74 Ca -0.09 1.85 0.37 0.00 0.18 0.00 0.00 52.55 54.86 1j6q s ASP 74 Cb -0.07 -2.55 1.78 0.00 1.07 0.00 0.00 42.92 43.15 1j6q s ASP 74 CO -0.00 -0.61 2.12 1.55 1.18 0.00 0.00 175.17 179.41 1j6q h PRO 75 N 1.74 0.00 -1.08 8.23 0.13 -2.02 0.18 132.00 139.18 1j6q h PRO 75 Ca -0.49 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.94 1j6q h PRO 75 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1j6q h PRO 75 CO 0.60 0.00 0.76 -0.91 -0.23 0.00 0.00 178.00 178.22 1j6q h ASN 76 N 0.00 0.07 -1.91 1.44 2.35 -1.92 -3.45 115.58 112.15 1j6q h ASN 76 Ca 0.00 0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.52 1j6q h ASN 76 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1j6q h ASN 76 CO 0.00 0.01 -0.32 -1.20 -1.65 0.00 0.00 177.43 174.27 1j6q n SER 77 N -4.27 -3.96 0.00 5.81 7.64 0.05 -4.81 113.62 114.08 1j6q n SER 77 Ca 0.23 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1j6q n SER 77 Cb 1.11 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.18 1j6q n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j6q n LEU 78 N -1.87 0.00 -3.80 -3.43 -0.00 -1.26 -4.61 117.00 102.02 1j6q n LEU 78 Ca -0.14 -0.26 -0.18 0.00 -0.00 0.00 0.00 56.01 55.43 1j6q n LEU 78 Cb 0.61 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.86 1j6q n LEU 78 CO 0.19 0.32 -0.37 -1.00 -0.00 0.00 0.00 177.39 176.52 1j6q s HIS 79 N 0.00 0.37 -0.11 1.47 3.76 -1.26 -2.12 115.29 117.39 1j6q s HIS 79 Ca 0.00 -0.01 -0.10 0.00 -0.15 0.00 0.00 55.06 54.80 1j6q s HIS 79 Cb 0.00 -0.49 0.03 0.00 1.11 0.00 0.00 32.58 33.23 1j6q s HIS 79 CO 0.00 -0.17 0.29 0.14 -0.85 0.00 0.00 174.74 174.15 1j6q s VAL 80 N 1.26 -0.00 0.04 -0.90 -7.23 0.30 -0.95 120.40 112.92 1j6q s VAL 80 Ca -0.06 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.04 1j6q s VAL 80 Cb -0.13 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.40 1j6q s VAL 80 CO -0.02 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.90 1j6q s GLN 81 N 0.19 0.62 0.07 4.82 -2.07 -0.07 -0.15 119.66 123.07 1j6q s GLN 81 Ca -0.00 -0.69 -0.17 0.00 -1.82 0.00 0.00 55.36 52.67 1j6q s GLN 81 Cb -0.02 0.25 0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1j6q s GLN 81 CO 0.00 -0.17 0.40 -0.59 -1.32 0.00 0.00 175.29 173.62 1j6q s PHE 82 N -2.55 -0.24 -0.17 9.60 -0.12 -0.03 -1.10 117.98 123.37 1j6q s PHE 82 Ca -0.05 0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1j6q s PHE 82 Cb -0.01 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1j6q s PHE 82 CO -0.04 -0.61 0.08 0.00 -0.05 0.00 0.00 175.22 174.60 1j6q s ALA 83 N -2.94 3.52 -0.05 1.99 0.00 -1.25 -0.56 121.76 122.47 1j6q s ALA 83 Ca -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1j6q s ALA 83 Cb 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 1j6q s ALA 83 CO -0.06 0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.87 1j6q s VAL 84 N 0.07 1.56 0.00 0.00 1.01 0.00 -2.97 120.40 120.07 1j6q s VAL 84 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1j6q s VAL 84 Cb -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1j6q s VAL 84 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1j6q n HIS 85 N 3.22 0.00 -4.27 5.22 1.44 0.04 -0.45 115.22 120.42 1j6q n HIS 85 Ca -0.19 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.38 1j6q n HIS 85 Cb 0.53 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.53 1j6q n HIS 85 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1j6q s ASP 86 N -0.70 0.85 0.51 4.39 -1.08 -1.26 -0.62 116.67 118.76 1j6q s ASP 86 Ca 0.00 -1.37 0.25 0.00 -0.52 0.00 0.00 52.55 50.91 1j6q s ASP 86 Cb 0.00 0.23 1.35 0.00 -1.46 0.00 0.00 42.92 43.04 1j6q s ASP 86 CO 0.00 -0.76 1.94 0.28 0.52 0.00 0.00 175.17 177.15 1j6q h SER 87 N 2.48 0.09 0.19 -0.34 0.02 -1.99 0.82 113.55 114.81 1j6q h SER 87 Ca -0.37 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1j6q h SER 87 Cb 1.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1j6q h SER 87 CO 0.58 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 176.49 1j6q n LEU 88 N -4.37 0.00 -1.13 5.07 4.77 -1.26 -4.88 117.00 115.21 1j6q n LEU 88 Ca 0.14 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1j6q n LEU 88 Cb 0.73 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1j6q n LEU 88 CO 0.36 -0.29 -0.13 0.61 -1.33 0.00 0.00 177.39 176.62 1j6q n GLY 89 N -0.70 0.30 3.19 -0.72 0.00 0.28 -4.95 105.19 102.59 1j6q n GLY 89 Ca 0.03 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1j6q n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6q n GLY 90 N -1.19 4.48 3.72 -0.02 0.00 -1.26 -4.96 105.19 105.95 1j6q n GLY 90 Ca -0.12 -2.62 -0.42 0.00 0.00 0.00 0.00 46.02 42.86 1j6q n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j6q s GLU 91 N -1.74 4.30 0.10 1.61 2.12 -1.26 -2.70 118.70 121.12 1j6q s GLU 91 Ca 0.31 2.15 0.07 0.00 0.36 0.00 0.00 54.97 57.86 1j6q s GLU 91 Cb -0.05 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1j6q s GLU 91 CO -0.03 -0.45 -0.10 -1.50 -0.54 0.00 0.00 175.26 172.63 1j6q s ILE 92 N 0.94 3.35 -0.21 -3.70 -1.16 0.41 -4.97 121.20 115.86 1j6q s ILE 92 Ca 0.65 -1.27 -0.10 0.00 -0.51 0.00 0.00 60.65 59.42 1j6q s ILE 92 Cb -0.39 -2.56 -0.05 0.00 0.61 0.00 0.00 42.46 40.07 1j6q s ILE 92 CO 0.32 0.12 0.12 -0.76 -2.81 0.00 0.00 174.94 171.93 1j6q s LEU 93 N -2.19 4.09 -0.06 8.50 1.43 -1.26 -0.82 118.68 128.38 1j6q s LEU 93 Ca 0.21 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1j6q s LEU 93 Cb -0.11 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1j6q s LEU 93 CO 0.13 0.14 -0.17 -0.69 0.23 0.00 0.00 176.35 176.00 1j6q s VAL 94 N 0.58 2.79 0.05 -1.59 1.01 0.27 -2.80 120.40 120.72 1j6q s VAL 94 Ca 0.07 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1j6q s VAL 94 Cb -0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1j6q s VAL 94 CO 0.00 0.58 -0.20 0.42 0.00 0.00 0.00 175.10 175.90 1j6q s THR 95 N -0.44 2.68 -0.10 3.92 -4.23 0.52 -0.85 115.64 117.14 1j6q s THR 95 Ca 0.05 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1j6q s THR 95 Cb -0.12 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.64 1j6q s THR 95 CO 0.02 0.30 0.22 -0.47 -0.54 0.00 0.00 174.62 174.15 1j6q s TYR 96 N -0.94 -0.30 -0.46 3.99 6.14 0.79 -0.51 117.35 126.07 1j6q s TYR 96 Ca 0.15 0.74 0.05 0.00 0.64 0.00 0.00 57.07 58.64 1j6q s TYR 96 Cb -0.10 -0.02 0.42 0.00 0.42 0.00 0.00 41.96 42.68 1j6q s TYR 96 CO 0.05 -0.24 1.22 -0.40 0.64 0.00 0.00 175.55 176.82 1j6q n ASP 97 N 4.51 5.04 -2.90 4.32 5.75 -1.26 -0.54 116.55 131.47 1j6q n ASP 97 Ca -0.21 -3.74 -0.07 0.00 -0.01 0.00 0.00 54.79 50.77 1j6q n ASP 97 Cb 0.52 -0.50 0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1j6q n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1j6q n ASP 98 N -0.53 -2.05 -4.68 -1.12 -0.08 -0.90 -4.82 116.55 102.37 1j6q n ASP 98 Ca 0.42 -2.32 -0.42 0.00 -1.51 0.00 0.00 54.79 50.95 1j6q n ASP 98 Cb 0.67 3.40 -0.03 0.00 2.34 0.00 0.00 41.12 47.50 1j6q n ASP 98 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1j6q s LEU 99 N 0.00 4.27 0.87 -2.67 1.02 -1.26 -4.48 118.68 116.44 1j6q s LEU 99 Ca 0.18 1.94 -0.12 0.00 0.02 0.00 0.00 54.13 56.15 1j6q s LEU 99 Cb -0.04 -3.55 0.12 0.00 0.02 0.00 0.00 46.19 42.74 1j6q s LEU 99 CO 0.09 -0.73 1.14 0.18 0.02 0.00 0.00 176.35 177.06 1j6q n LEU 100 N 5.90 3.65 0.00 1.79 4.77 -1.26 -5.03 117.00 126.82 1j6q n LEU 100 Ca 0.13 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1j6q n LEU 100 Cb 0.44 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1j6q n LEU 100 CO 0.57 -2.03 0.00 -0.81 -1.33 0.00 0.00 177.39 173.80 1j6q n PRO 101 N -3.75 0.00 -0.59 3.23 -0.04 -1.26 -3.92 135.00 128.67 1j6q n PRO 101 Ca 0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1j6q n PRO 101 Cb 0.51 -0.30 -0.05 0.00 -0.04 0.00 0.00 33.50 33.63 1j6q n PRO 101 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j6q n ASP 102 N 0.00 4.77 -0.40 3.54 9.92 -1.26 -4.63 116.55 128.49 1j6q n ASP 102 Ca 0.00 -2.30 -0.03 0.00 -0.53 0.00 0.00 54.79 51.93 1j6q n ASP 102 Cb 0.00 -1.10 -0.01 0.00 -0.64 0.00 0.00 41.12 39.37 1j6q n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j6q n LEU 103 N 1.87 0.12 -2.88 0.64 -0.00 -1.25 -2.54 117.00 112.95 1j6q n LEU 103 Ca 0.12 0.08 -0.08 0.00 -0.00 0.00 0.00 56.01 56.13 1j6q n LEU 103 Cb 0.57 -1.58 0.01 0.00 -0.00 0.00 0.00 43.42 42.42 1j6q n LEU 103 CO 0.04 -0.53 0.06 0.33 -0.00 0.00 0.00 177.39 177.29 1j6q n PHE 104 N -1.23 -3.45 -1.63 1.47 7.35 -1.26 -4.91 117.46 113.79 1j6q n PHE 104 Ca -0.03 1.39 -0.45 0.00 -0.76 0.00 0.00 57.45 57.59 1j6q n PHE 104 Cb 0.29 -4.05 -0.04 0.00 0.35 0.00 0.00 39.48 36.03 1j6q n PHE 104 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1j6q n ARG 105 N -0.38 2.26 -1.60 -4.13 1.74 -1.05 -4.96 116.66 108.53 1j6q n ARG 105 Ca 0.11 0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 57.67 1j6q n ARG 105 Cb 0.47 -2.90 0.13 0.00 -1.02 0.00 0.00 32.46 29.14 1j6q n ARG 105 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1j6q s GLU 106 N 4.98 1.19 -0.93 5.56 8.01 -1.26 -4.47 118.70 131.78 1j6q s GLU 106 Ca 0.95 0.22 -0.02 0.00 0.01 0.00 0.00 54.97 56.13 1j6q s GLU 106 Cb -0.53 -1.85 0.00 0.00 -4.31 0.00 0.00 34.13 27.44 1j6q s GLU 106 CO 0.44 -2.15 0.78 0.41 0.01 0.00 0.00 175.26 174.76 1j6q n GLY 107 N -2.43 -0.16 3.51 -1.39 0.00 -1.22 -4.98 105.19 98.52 1j6q n GLY 107 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1j6q n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6q n GLN 108 N -3.48 0.82 -3.52 1.61 10.64 -1.26 -4.99 117.38 117.19 1j6q n GLN 108 Ca -0.15 -2.69 -0.32 0.00 -1.83 0.00 0.00 57.00 52.00 1j6q n GLN 108 Cb 0.60 2.75 -0.05 0.00 -0.86 0.00 0.00 30.24 32.68 1j6q n GLN 108 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1j6q s GLY 109 N -3.17 2.28 0.17 2.61 0.00 -1.26 -0.57 107.32 107.37 1j6q s GLY 109 Ca 0.26 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 1j6q s GLY 109 CO 0.19 -0.26 0.22 -0.26 0.00 0.00 0.00 173.10 172.99 1j6q s ILE 110 N -1.71 0.06 -0.08 0.90 -4.36 -0.65 -4.27 121.20 111.09 1j6q s ILE 110 Ca 0.43 -1.62 0.05 0.00 -0.26 0.00 0.00 60.65 59.25 1j6q s ILE 110 Cb -0.12 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 1j6q s ILE 110 CO 0.22 -0.27 -0.24 0.68 0.24 0.00 0.00 174.94 175.57 1j6q s VAL 111 N -4.02 2.15 -0.12 8.37 -7.23 -1.10 -2.19 120.40 116.26 1j6q s VAL 111 Ca 0.23 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1j6q s VAL 111 Cb 0.05 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1j6q s VAL 111 CO 0.03 0.56 -0.05 0.00 -0.31 0.00 0.00 175.10 175.33 1j6q s ALA 112 N 0.04 1.27 0.04 1.32 0.00 0.42 -0.78 121.76 124.06 1j6q s ALA 112 Ca -0.09 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1j6q s ALA 112 Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1j6q s ALA 112 CO 0.06 -0.55 -0.14 -1.14 0.00 0.00 0.00 175.76 173.99 1j6q s GLN 113 N 1.73 2.19 0.00 0.00 0.74 0.26 -0.48 119.66 124.11 1j6q s GLN 113 Ca 0.04 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.52 1j6q s GLN 113 Cb -0.13 -2.28 0.00 0.00 1.10 0.00 0.00 33.01 31.70 1j6q s GLN 113 CO -0.08 0.55 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1j6q n GLY 114 N 1.45 -0.35 2.95 2.59 0.00 -1.19 -0.71 105.19 109.93 1j6q n GLY 114 Ca -0.16 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1j6q n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j6q s VAL 115 N 0.00 0.07 -0.16 1.61 0.11 0.05 -3.42 120.40 118.65 1j6q s VAL 115 Ca 0.00 -0.59 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 1j6q s VAL 115 Cb 0.00 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1j6q s VAL 115 CO 0.00 -0.32 2.02 -0.76 -3.33 0.00 0.00 175.10 172.71 1j6q s LEU 116 N -0.95 3.77 0.00 2.54 2.01 0.11 -0.25 118.68 125.91 1j6q s LEU 116 Ca -0.10 1.99 0.00 0.00 0.01 0.00 0.00 54.13 56.03 1j6q s LEU 116 Cb -0.06 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.62 1j6q s LEU 116 CO -0.01 -1.60 0.00 0.61 1.01 0.00 0.00 176.35 176.37 1j6q n GLY 117 N 5.25 0.24 3.49 -3.19 0.00 -0.46 -0.36 105.19 110.16 1j6q n GLY 117 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1j6q n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j6q n GLU 118 N 0.00 2.92 -1.92 1.61 2.13 -1.19 -4.55 120.64 119.64 1j6q n GLU 118 Ca 0.00 -3.08 0.00 0.00 0.66 0.00 0.00 57.16 54.74 1j6q n GLU 118 Cb 0.00 -3.50 0.00 0.00 0.27 0.00 0.00 31.44 28.21 1j6q n GLU 118 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1j6q n ASP 119 N 8.99 0.00 0.00 4.31 2.03 -1.26 -0.58 116.55 130.03 1j6q n ASP 119 Ca 0.49 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1j6q n ASP 119 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1j6q n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j6q n GLY 120 N -0.42 2.38 3.78 0.27 0.00 -1.26 -4.86 105.19 105.08 1j6q n GLY 120 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1j6q n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j6q s LYS 121 N 0.00 4.56 -0.23 1.61 3.01 0.25 -4.74 119.74 124.21 1j6q s LYS 121 Ca 0.00 1.19 -0.17 0.00 -1.01 0.00 0.00 55.97 55.98 1j6q s LYS 121 Cb 0.00 -3.13 -0.03 0.00 -1.01 0.00 0.00 37.83 33.65 1j6q s LYS 121 CO 0.00 0.49 0.46 -0.51 0.51 0.00 0.00 175.35 176.30 1j6q s LEU 122 N -1.42 4.11 -0.79 3.17 1.43 -1.12 -1.36 118.68 122.69 1j6q s LEU 122 Ca 0.40 0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.82 1j6q s LEU 122 Cb -0.22 -2.60 0.09 0.00 0.03 0.00 0.00 46.19 43.49 1j6q s LEU 122 CO 0.26 -0.18 1.09 0.00 0.23 0.00 0.00 176.35 177.75 1j6q s ALA 123 N 1.77 3.14 0.12 4.21 0.00 0.65 -0.35 121.76 131.30 1j6q s ALA 123 Ca 0.21 -2.18 0.01 0.00 0.00 0.00 0.00 51.96 50.00 1j6q s ALA 123 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 1j6q s ALA 123 CO 0.09 -2.96 0.27 0.00 0.00 0.00 0.00 175.76 173.15 1j6q s ALA 124 N 3.77 3.97 0.00 0.00 0.00 0.34 -0.77 121.76 129.07 1j6q s ALA 124 Ca 0.29 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1j6q s ALA 124 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1j6q s ALA 124 CO 0.02 0.63 0.00 -2.37 0.00 0.00 0.00 175.76 174.04 1j6q n THR 125 N -0.27 0.00 -2.39 0.00 5.66 0.11 -4.22 114.28 113.17 1j6q n THR 125 Ca -0.06 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 1j6q n THR 125 Cb 0.53 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1j6q n THR 125 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1j6q n GLU 126 N -1.53 3.18 -3.14 1.09 1.02 0.11 -4.91 120.64 116.47 1j6q n GLU 126 Ca 0.00 -3.23 -0.39 0.00 -0.02 0.00 0.00 57.16 53.52 1j6q n GLU 126 Cb 0.00 -3.31 -0.05 0.00 -0.02 0.00 0.00 31.44 28.06 1j6q n GLU 126 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1j6q s VAL 127 N 3.10 5.09 -0.27 2.62 -7.23 -1.26 -0.57 120.40 121.86 1j6q s VAL 127 Ca 0.49 1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 61.92 1j6q s VAL 127 Cb 0.06 -3.96 0.05 0.00 0.56 0.00 0.00 36.38 33.08 1j6q s VAL 127 CO 0.01 0.26 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.25 1j6q s LEU 128 N 0.88 3.54 -1.24 1.32 2.01 0.04 -4.97 118.68 120.26 1j6q s LEU 128 Ca 0.33 -1.19 -0.08 0.00 0.01 0.00 0.00 54.13 53.20 1j6q s LEU 128 Cb -0.17 -1.65 -0.08 0.00 0.01 0.00 0.00 46.19 44.31 1j6q s LEU 128 CO 0.15 -0.20 2.56 0.00 1.01 0.00 0.00 176.35 179.87 1j6q n ALA 129 N 4.58 6.14 0.22 4.21 0.00 -1.26 -2.70 120.51 131.69 1j6q n ALA 129 Ca -0.14 -2.73 0.07 0.00 0.00 0.00 0.00 53.44 50.64 1j6q n ALA 129 Cb 0.44 -3.16 0.49 0.00 0.00 0.00 0.00 19.45 17.22 1j6q n ALA 129 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1j6q h LYS 130 N 5.58 0.00 0.00 0.00 2.10 -1.91 -3.50 116.57 118.83 1j6q h LYS 130 Ca 0.67 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.32 1j6q h LYS 130 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1j6q h LYS 130 CO 1.58 0.27 0.00 0.72 -2.00 0.00 0.00 179.45 180.02