#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqj n ARG 20 N 0.00 0.26 -3.93 1.97 5.12 -1.26 -5.11 116.66 113.71 2jqj n ARG 20 Ca 0.00 0.10 -0.20 0.00 -1.93 0.00 0.00 57.85 55.83 2jqj n ARG 20 Cb 0.00 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.30 2jqj n ARG 20 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jqj n GLN 21 N -3.90 0.59 0.33 5.56 10.64 -1.26 -5.09 117.38 124.25 2jqj n GLN 21 Ca -0.07 -2.79 -0.13 0.00 -1.83 0.00 0.00 57.00 52.18 2jqj n GLN 21 Cb 0.26 1.65 -0.06 0.00 -0.86 0.00 0.00 30.24 31.23 2jqj n GLN 21 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2jqj h GLN 22 N 0.00 -0.81 -4.21 2.61 4.15 -2.11 -3.49 115.11 111.25 2jqj h GLN 22 Ca -0.25 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2jqj h GLN 22 Cb 0.99 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2jqj h GLN 22 CO 0.39 -0.54 -0.89 -2.13 -1.93 0.00 0.00 178.83 173.73 2jqj n ARG 23 N -4.48 -5.09 -4.15 1.69 3.00 -1.26 -5.03 116.66 101.34 2jqj n ARG 23 Ca -0.10 3.66 -0.24 0.00 -0.00 0.00 0.00 57.85 61.17 2jqj n ARG 23 Cb 0.33 -4.08 -0.06 0.00 0.00 0.00 0.00 32.46 28.66 2jqj n ARG 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2jqj s SER 24 N -0.50 5.23 -0.27 6.15 1.04 -1.26 -5.13 113.70 118.96 2jqj s SER 24 Ca 0.00 -0.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 2jqj s SER 24 Cb 0.00 -1.25 0.14 0.00 0.10 0.00 0.00 66.02 65.00 2jqj s SER 24 CO 0.00 0.02 1.11 0.21 0.98 0.00 0.00 173.24 175.56 2jqj s ASN 25 N -3.47 -0.36 -0.29 7.02 2.47 -1.26 -5.14 114.94 113.91 2jqj s ASN 25 Ca 0.31 0.66 -0.04 0.00 0.42 0.00 0.00 52.86 54.21 2jqj s ASN 25 Cb -0.08 0.66 0.10 0.00 -1.45 0.00 0.00 41.25 40.47 2jqj s ASN 25 CO 0.23 -0.14 0.13 -1.59 -3.72 0.00 0.00 177.10 172.00 2jqj s LYS 26 N 0.03 0.21 0.35 0.43 0.00 -1.26 -5.13 119.74 114.37 2jqj s LYS 26 Ca 0.04 -0.56 -0.28 0.00 0.00 0.00 0.00 55.97 55.17 2jqj s LYS 26 Cb -0.04 -1.20 -0.10 0.00 0.00 0.00 0.00 37.83 36.49 2jqj s LYS 26 CO -0.07 -1.02 1.28 -1.25 0.00 0.00 0.00 175.35 174.29 2jqj s PRO 27 N 2.08 4.26 0.55 1.78 0.04 -1.26 -5.03 135.00 137.42 2jqj s PRO 27 Ca 0.09 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2jqj s PRO 27 Cb -0.16 -2.98 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 2jqj s PRO 27 CO -0.36 -0.24 0.85 0.45 0.04 0.00 0.00 177.00 177.73 2jqj s SER 28 N -0.63 5.75 0.39 6.66 0.15 -1.26 -5.11 113.70 119.66 2jqj s SER 28 Ca 0.51 0.69 0.08 0.00 0.70 0.00 0.00 55.95 57.93 2jqj s SER 28 Cb -0.38 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 2jqj s SER 28 CO 0.50 -0.92 0.16 -0.44 1.20 0.00 0.00 173.24 173.74 2jqj s SER 29 N -4.25 4.50 -0.00 5.45 0.01 -1.26 -5.09 113.70 113.05 2jqj s SER 29 Ca 0.52 -0.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 2jqj s SER 29 Cb -0.10 -0.56 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 2jqj s SER 29 CO 0.44 -0.45 0.41 -0.08 0.41 0.00 0.00 173.24 173.96 2jqj h GLU 30 N 1.48 -0.05 0.00 12.44 4.57 -2.03 -3.47 114.58 127.53 2jqj h GLU 30 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2jqj h GLU 30 Cb 1.25 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2jqj h GLU 30 CO 0.67 -0.03 0.00 0.66 -1.18 0.00 0.00 179.01 179.13 2jqj n TYR 31 N -2.28 0.00 -3.76 0.92 4.02 -1.26 -5.08 117.16 109.73 2jqj n TYR 31 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.73 2jqj n TYR 31 Cb 0.02 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.18 2jqj n TYR 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2jqj s THR 32 N 0.87 -0.07 0.42 -0.72 -4.23 -1.26 -4.99 115.64 105.66 2jqj s THR 32 Ca 0.00 0.24 -0.25 0.00 -1.18 0.00 0.00 61.69 60.50 2jqj s THR 32 Cb 0.00 -0.11 -0.08 0.00 1.34 0.00 0.00 72.50 73.65 2jqj s THR 32 CO 0.00 0.10 1.25 0.00 -0.54 0.00 0.00 174.62 175.43 2jqj n LEU 34 N -0.08 -0.86 -4.70 0.00 7.94 -1.07 -4.91 117.00 113.32 2jqj n LEU 34 Ca 0.05 0.21 -0.24 0.00 -1.11 0.00 0.00 56.01 54.91 2jqj n LEU 34 Cb 0.45 1.12 -0.08 0.00 0.53 0.00 0.00 43.42 45.44 2jqj n LEU 34 CO 0.53 -0.35 -0.22 -0.83 -1.11 0.00 0.00 177.39 175.41 2jqj s GLY 35 N -1.80 2.15 0.10 -3.96 0.00 -1.10 0.10 107.32 102.82 2jqj s GLY 35 Ca 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.74 2jqj s GLY 35 CO 0.00 -1.87 -0.05 0.30 0.00 0.00 0.00 173.10 171.48 2jqj s HIS 36 N -2.53 0.90 -0.15 1.90 3.76 -0.72 0.68 115.29 119.13 2jqj s HIS 36 Ca 0.38 -0.95 -0.00 0.00 -0.15 0.00 0.00 55.06 54.34 2jqj s HIS 36 Cb 0.01 -0.52 0.03 0.00 1.11 0.00 0.00 32.58 33.21 2jqj s HIS 36 CO 0.21 -0.19 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.31 2jqj s LEU 37 N -3.05 1.60 -0.26 0.89 1.43 -0.04 -2.81 118.68 116.44 2jqj s LEU 37 Ca 0.13 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2jqj s LEU 37 Cb 0.06 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2jqj s LEU 37 CO -0.04 -0.12 0.15 -0.69 0.23 0.00 0.00 176.35 175.87 2jqj s VAL 38 N 1.58 5.03 0.01 -1.59 1.01 -0.97 -0.92 120.40 124.55 2jqj s VAL 38 Ca 0.03 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 2jqj s VAL 38 Cb -0.14 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2jqj s VAL 38 CO -0.09 0.30 0.53 0.20 0.00 0.00 0.00 175.10 176.05 2jqj s ASN 39 N 1.50 6.93 -0.38 3.32 -0.87 0.58 -1.65 114.94 124.38 2jqj s ASN 39 Ca 0.07 1.11 -0.08 0.00 -1.57 0.00 0.00 52.86 52.39 2jqj s ASN 39 Cb -0.15 -2.33 0.06 0.00 -0.02 0.00 0.00 41.25 38.81 2jqj s ASN 39 CO 0.07 0.19 0.19 -0.76 -2.57 0.00 0.00 177.10 174.22 2jqj s LEU 40 N -0.56 4.82 -0.00 0.60 1.43 -0.75 -3.00 118.68 121.22 2jqj s LEU 40 Ca 0.28 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.05 2jqj s LEU 40 Cb -0.18 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2jqj s LEU 40 CO 0.16 -0.45 -0.20 -0.63 0.23 0.00 0.00 176.35 175.46 2jqj s ILE 41 N 1.39 1.62 -1.19 -0.59 1.01 -1.13 -4.70 121.20 117.62 2jqj s ILE 41 Ca 0.02 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 2jqj s ILE 41 Cb -0.21 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2jqj s ILE 41 CO 0.02 0.39 1.85 -2.16 0.00 0.00 0.00 174.94 175.04 2jqj s PRO 42 N -0.66 3.00 0.00 2.79 0.04 -1.26 -2.44 135.00 136.48 2jqj s PRO 42 Ca 0.08 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.77 2jqj s PRO 42 Cb -0.08 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2jqj s PRO 42 CO -0.00 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.12 2jqj n GLY 43 N 5.82 0.52 3.60 0.56 0.00 -1.26 -5.13 105.19 109.31 2jqj n GLY 43 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 2jqj n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqj s LYS 44 N 0.00 0.18 0.12 1.61 2.20 -1.02 -5.18 119.74 117.65 2jqj s LYS 44 Ca 0.00 -0.09 0.10 0.00 -0.36 0.00 0.00 55.97 55.62 2jqj s LYS 44 Cb 0.00 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2jqj s LYS 44 CO 0.00 -0.08 -0.24 -1.21 -0.36 0.00 0.00 175.35 173.45 2jqj s GLU 45 N -2.22 1.30 -0.06 4.03 2.02 -1.26 -2.83 118.70 119.68 2jqj s GLU 45 Ca 0.13 -1.26 0.05 0.00 0.02 0.00 0.00 54.97 53.91 2jqj s GLU 45 Cb 0.03 -1.69 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 2jqj s GLU 45 CO -0.04 0.40 -0.23 -1.14 0.02 0.00 0.00 175.26 174.27 2jqj s GLN 46 N -1.96 2.48 -0.18 1.61 0.74 -1.16 -4.98 119.66 116.21 2jqj s GLN 46 Ca 0.11 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.67 2jqj s GLN 46 Cb -0.10 -2.05 -0.01 0.00 1.10 0.00 0.00 33.01 31.95 2jqj s GLN 46 CO 0.05 0.30 -0.09 0.15 -0.55 0.00 0.00 175.29 175.16 2jqj s LYS 47 N 0.00 3.39 0.14 1.67 1.02 -1.26 -0.31 119.74 124.39 2jqj s LYS 47 Ca -0.07 -0.65 0.11 0.00 0.02 0.00 0.00 55.97 55.38 2jqj s LYS 47 Cb -0.14 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 2jqj s LYS 47 CO 0.04 0.01 -0.26 0.08 -0.92 0.00 0.00 175.35 174.30 2jqj s VAL 48 N 0.91 2.26 -0.07 3.17 1.01 -0.10 -4.99 120.40 122.59 2jqj s VAL 48 Ca -0.02 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 2jqj s VAL 48 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2jqj s VAL 48 CO 0.00 0.06 0.09 -1.61 0.00 0.00 0.00 175.10 173.64 2jqj s GLU 49 N -2.13 3.22 -0.18 2.72 8.01 -1.26 -0.86 118.70 128.21 2jqj s GLU 49 Ca 0.15 -0.32 -0.01 0.00 0.01 0.00 0.00 54.97 54.80 2jqj s GLU 49 Cb -0.10 -2.99 -0.00 0.00 -4.31 0.00 0.00 34.13 26.74 2jqj s GLU 49 CO 0.06 0.71 -0.12 0.42 0.01 0.00 0.00 175.26 176.35 2jqj s ILE 50 N -1.07 2.82 0.39 -1.63 -1.09 0.21 -4.89 121.20 115.95 2jqj s ILE 50 Ca 0.18 -0.70 0.07 0.00 -2.23 0.00 0.00 60.65 57.97 2jqj s ILE 50 Cb -0.12 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 2jqj s ILE 50 CO 0.08 0.49 0.54 0.42 -1.23 0.00 0.00 174.94 175.23 2jqj s THR 51 N 1.12 3.41 -1.09 2.92 -4.23 -1.26 -2.60 115.64 113.90 2jqj s THR 51 Ca 0.01 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2jqj s THR 51 Cb -0.14 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 70.84 2jqj s THR 51 CO -0.04 -0.06 1.34 0.59 -0.54 0.00 0.00 174.62 175.91 2jqj n ASN 52 N -1.78 6.08 -1.34 3.99 3.02 -1.04 -4.74 115.26 119.45 2jqj n ASN 52 Ca 0.05 -3.27 0.04 0.00 -0.03 0.00 0.00 54.58 51.36 2jqj n ASN 52 Cb 0.59 -1.31 0.29 0.00 -0.61 0.00 0.00 39.78 38.74 2jqj n ASN 52 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2jqj n ARG 53 N 1.83 3.32 0.00 3.52 1.85 -1.26 -4.78 116.66 121.13 2jqj n ARG 53 Ca 0.25 -3.00 0.00 0.00 -1.00 0.00 0.00 57.85 54.10 2jqj n ARG 53 Cb 0.35 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 2jqj n ARG 53 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jqj n ASN 54 N -0.31 0.00 -3.90 2.89 3.02 -0.86 -4.81 115.26 111.29 2jqj n ASN 54 Ca 0.28 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.68 2jqj n ASN 54 Cb 1.07 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 40.03 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jqj s VAL 55 N -0.07 0.22 -0.09 2.41 1.01 -1.25 -2.35 120.40 120.28 2jqj s VAL 55 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2jqj s VAL 55 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2jqj s VAL 55 CO 0.00 0.08 -0.16 -0.89 0.00 0.00 0.00 175.10 174.13 2jqj s THR 56 N 0.18 1.49 -0.13 3.92 2.01 0.33 -4.88 115.64 118.56 2jqj s THR 56 Ca -0.01 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 2jqj s THR 56 Cb -0.04 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2jqj s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jqj s THR 57 N 0.71 4.78 -0.06 -0.82 -4.23 -1.26 -0.78 115.64 113.98 2jqj s THR 57 Ca -0.13 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2jqj s THR 57 Cb -0.16 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jqj s THR 57 CO 0.03 0.56 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.97 2jqj s ILE 58 N -0.45 0.76 -0.85 2.99 1.09 -0.90 0.21 121.20 124.05 2jqj s ILE 58 Ca 0.10 -0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 2jqj s ILE 58 Cb -0.12 -0.76 0.00 0.00 -1.06 0.00 0.00 42.46 40.52 2jqj s ILE 58 CO 0.02 0.29 0.00 0.61 -0.10 0.00 0.00 174.94 175.76 2jqj n GLY 59 N 4.24 -0.60 0.13 6.18 0.00 -0.96 -3.04 105.19 111.14 2jqj n GLY 59 Ca -0.20 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2jqj n GLY 59 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jqj h ARG 60 N 0.00 0.21 -6.05 1.61 2.43 -1.71 -3.07 114.38 107.80 2jqj h ARG 60 Ca 0.00 -0.36 -0.75 0.00 -0.81 0.00 0.00 59.98 58.06 2jqj h ARG 60 Cb 0.00 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2jqj h ARG 60 CO 0.00 1.17 1.11 0.43 -1.51 0.00 0.00 179.97 181.17 2jqj n SER 61 N -3.82 1.80 0.17 -3.80 7.64 -1.26 -4.79 113.62 109.57 2jqj n SER 61 Ca -0.30 0.82 0.16 0.00 1.01 0.00 0.00 58.87 60.57 2jqj n SER 61 Cb 0.93 -1.08 0.77 0.00 -1.01 0.00 0.00 64.21 63.81 2jqj n SER 61 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2jqj h ARG 62 N 8.71 0.00 0.00 1.43 0.11 -1.99 0.17 114.38 122.82 2jqj h ARG 62 Ca -0.33 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.70 2jqj h ARG 62 Cb 1.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.42 2jqj h ARG 62 CO 1.01 0.00 -0.24 0.77 0.10 0.00 0.00 179.97 181.61 2jqj h SER 63 N 0.00 0.00 -2.61 0.08 0.02 -2.00 -3.45 113.55 105.59 2jqj h SER 63 Ca 0.10 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.59 2jqj h SER 63 Cb 0.49 0.00 0.23 0.00 0.14 0.00 0.00 62.40 63.26 2jqj h SER 63 CO -0.00 0.24 -0.87 0.00 -1.14 0.00 0.00 176.83 175.05 2jqj h ASP 65 N -2.06 -0.24 -3.27 0.00 5.19 0.21 -3.44 116.42 112.81 2jqj h ASP 65 Ca -0.53 -0.28 -0.59 0.00 -0.62 0.00 0.00 57.03 55.01 2jqj h ASP 65 Cb 1.34 0.06 -0.34 0.00 0.18 0.00 0.00 39.33 40.57 2jqj h ASP 65 CO 0.39 0.21 -0.84 -0.69 -3.12 0.00 0.00 179.24 175.20 2jqj s VAL 66 N -4.14 1.52 -0.19 -1.35 1.01 0.13 -4.94 120.40 112.45 2jqj s VAL 66 Ca -0.14 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 2jqj s VAL 66 Cb 0.01 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2jqj s VAL 66 CO 0.53 0.44 0.15 0.27 0.00 0.00 0.00 175.10 176.50 2jqj s ILE 67 N 0.95 5.41 0.00 2.22 -4.36 -1.26 -2.27 121.20 121.89 2jqj s ILE 67 Ca -0.07 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 2jqj s ILE 67 Cb -0.15 -3.48 0.00 0.00 1.25 0.00 0.00 42.46 40.08 2jqj s ILE 67 CO -0.01 0.45 0.00 0.18 0.24 0.00 0.00 174.94 175.80 2jqj n LEU 68 N 3.36 0.00 0.00 0.37 4.32 -1.16 -4.97 117.00 118.92 2jqj n LEU 68 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 2jqj n LEU 68 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2jqj n LEU 68 CO 0.37 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 175.00 2jqj n SER 69 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -5.06 113.62 109.28 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jqj n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jqj n GLU 70 N 0.00 0.00 -0.17 4.33 1.02 -1.26 -4.92 120.64 119.64 2jqj n GLU 70 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2jqj n GLU 70 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 31.61 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jqj h PRO 71 N 0.00 0.91 -0.25 3.49 0.13 -2.01 -2.90 132.00 131.37 2jqj h PRO 71 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2jqj h PRO 71 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 2jqj h PRO 71 CO 0.00 0.76 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 2jqj n ASP 72 N -4.31 3.45 -4.47 1.44 5.68 -1.26 -4.97 116.55 112.11 2jqj n ASP 72 Ca 0.05 -2.73 -0.34 0.00 -0.50 0.00 0.00 54.79 51.27 2jqj n ASP 72 Cb 0.18 -0.44 -0.12 0.00 -1.14 0.00 0.00 41.12 39.60 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2jqj s ILE 73 N -2.30 3.92 0.04 2.12 1.10 -1.09 -4.76 121.20 120.23 2jqj s ILE 73 Ca 0.35 -0.34 -0.26 0.00 -0.51 0.00 0.00 60.65 59.89 2jqj s ILE 73 Cb 0.27 -2.74 -0.05 0.00 0.15 0.00 0.00 42.46 40.08 2jqj s ILE 73 CO 0.10 0.46 0.81 -0.44 -2.11 0.00 0.00 174.94 173.76 2jqj s SER 74 N 0.65 7.25 0.50 4.50 0.01 -1.26 -4.16 113.70 121.19 2jqj s SER 74 Ca -0.01 1.49 0.18 0.00 1.31 0.00 0.00 55.95 58.92 2jqj s SER 74 Cb -0.14 -2.49 1.25 0.00 0.21 0.00 0.00 66.02 64.85 2jqj s SER 74 CO 0.02 -0.04 2.08 0.74 0.41 0.00 0.00 173.24 176.45 2jqj h THR 75 N 4.24 0.91 -0.33 1.44 2.02 -1.90 -0.72 112.91 118.56 2jqj h THR 75 Ca -0.43 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2jqj h THR 75 Cb 1.21 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2jqj h THR 75 CO 0.72 0.02 0.00 0.49 0.37 0.00 0.00 175.52 177.12 2jqj n PHE 76 N -4.48 0.70 -0.07 3.16 3.72 -1.26 -4.49 117.46 114.75 2jqj n PHE 76 Ca 0.03 -0.65 -0.02 0.00 -0.05 0.00 0.00 57.45 56.77 2jqj n PHE 76 Cb 0.28 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jqj n HIS 77 N 0.17 -0.07 -3.66 1.38 -0.00 -0.28 -3.59 115.22 109.17 2jqj n HIS 77 Ca 0.16 0.19 -0.10 0.00 0.46 0.00 0.00 57.72 58.44 2jqj n HIS 77 Cb 0.63 -0.35 -0.03 0.00 -0.12 0.00 0.00 29.99 30.12 2jqj n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jqj s ALA 78 N -4.27 -1.19 0.00 1.57 0.00 -1.17 -3.45 121.76 113.26 2jqj s ALA 78 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2jqj s ALA 78 Cb 0.02 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2jqj s ALA 78 CO 0.10 -0.83 -0.07 -1.21 0.00 0.00 0.00 175.76 173.75 2jqj s GLU 79 N -3.84 0.55 -0.09 0.00 8.01 -1.21 -2.11 118.70 120.01 2jqj s GLU 79 Ca 0.07 -0.32 0.04 0.00 0.01 0.00 0.00 54.97 54.77 2jqj s GLU 79 Cb -0.02 -0.51 -0.00 0.00 -4.31 0.00 0.00 34.13 29.29 2jqj s GLU 79 CO -0.05 0.14 -0.23 -0.06 0.01 0.00 0.00 175.26 175.07 2jqj s PHE 80 N -0.33 2.55 -0.32 1.61 0.08 0.04 -2.29 117.98 119.33 2jqj s PHE 80 Ca 0.01 -0.92 -0.17 0.00 0.12 0.00 0.00 56.93 55.97 2jqj s PHE 80 Cb -0.04 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2jqj s PHE 80 CO -0.00 -0.34 0.46 -1.01 -0.10 0.00 0.00 175.22 174.22 2jqj s HIS 81 N 0.19 3.21 -0.36 0.36 3.76 -0.92 0.12 115.29 121.66 2jqj s HIS 81 Ca -0.14 0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2jqj s HIS 81 Cb -0.17 -2.78 0.03 0.00 1.11 0.00 0.00 32.58 30.78 2jqj s HIS 81 CO 0.07 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.54 2jqj s LEU 82 N 2.24 4.60 -0.07 0.89 1.98 -0.99 -2.46 118.68 124.88 2jqj s LEU 82 Ca 0.17 -1.07 0.05 0.00 -2.89 0.00 0.00 54.13 50.39 2jqj s LEU 82 Cb -0.16 -1.97 -0.01 0.00 0.66 0.00 0.00 46.19 44.72 2jqj s LEU 82 CO 0.12 -0.37 -0.23 -0.76 -1.89 0.00 0.00 176.35 173.21 2jqj s LEU 83 N 1.50 2.04 -0.20 -0.68 1.43 -1.18 -2.03 118.68 119.56 2jqj s LEU 83 Ca 0.01 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 2jqj s LEU 83 Cb -0.19 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 2jqj s LEU 83 CO 0.05 0.21 0.11 -1.58 0.23 0.00 0.00 176.35 175.36 2jqj s GLN 84 N 0.01 4.07 -0.16 1.70 0.74 -1.26 -3.03 119.66 121.73 2jqj s GLN 84 Ca -0.08 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.00 2jqj s GLN 84 Cb -0.15 -3.35 0.06 0.00 1.10 0.00 0.00 33.01 30.67 2jqj s GLN 84 CO 0.05 0.23 0.12 1.41 -0.55 0.00 0.00 175.29 176.55 2jqj s MET 85 N 0.52 0.07 -0.32 1.67 1.75 -1.09 -5.06 119.30 116.84 2jqj s MET 85 Ca 0.06 0.09 -0.29 0.00 -1.25 0.00 0.00 55.69 54.30 2jqj s MET 85 Cb -0.12 -1.41 0.01 0.00 2.84 0.00 0.00 34.83 36.15 2jqj s MET 85 CO 0.00 -0.60 1.13 0.16 -0.65 0.00 0.00 175.02 175.06 2jqj s ASP 86 N 2.20 6.87 -0.11 1.11 -4.77 -1.26 -2.40 116.67 118.30 2jqj s ASP 86 Ca 0.04 1.08 -0.04 0.00 -3.30 0.00 0.00 52.55 50.33 2jqj s ASP 86 Cb -0.15 -2.54 0.05 0.00 -1.09 0.00 0.00 42.92 39.18 2jqj s ASP 86 CO -0.09 -0.93 0.08 -0.69 0.70 0.00 0.00 175.17 174.24 2jqj s VAL 87 N 3.82 -0.10 0.00 2.11 1.01 -1.26 -4.95 120.40 121.03 2jqj s VAL 87 Ca 0.48 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2jqj s VAL 87 Cb -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2jqj s VAL 87 CO 0.17 -0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.52 2jqj n ASP 88 N 5.29 -4.55 -4.59 3.32 2.03 -1.26 -4.67 116.55 112.12 2jqj n ASP 88 Ca -0.05 0.00 -0.50 0.00 0.52 0.00 0.00 54.79 54.76 2jqj n ASP 88 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.85 2jqj n ASP 88 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jqj n ASN 89 N -2.85 1.61 -1.47 1.67 6.94 -1.26 -4.57 115.26 115.33 2jqj n ASN 89 Ca 0.00 1.13 0.09 0.00 -0.02 0.00 0.00 54.58 55.78 2jqj n ASN 89 Cb 0.00 -1.22 -0.05 0.00 -2.36 0.00 0.00 39.78 36.15 2jqj n ASN 89 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2jqj n PHE 90 N 2.03 -3.98 -3.09 -2.53 3.01 -1.26 -4.86 117.46 106.78 2jqj n PHE 90 Ca 0.16 2.18 -0.39 0.00 1.01 0.00 0.00 57.45 60.41 2jqj n PHE 90 Cb 0.23 -3.49 -0.06 0.00 -0.01 0.00 0.00 39.48 36.15 2jqj n PHE 90 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2jqj s GLN 91 N -4.84 4.44 -0.21 -1.08 -0.21 -1.26 -4.21 119.66 112.29 2jqj s GLN 91 Ca 0.00 1.00 -0.05 0.00 0.02 0.00 0.00 55.36 56.34 2jqj s GLN 91 Cb 0.00 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 2jqj s GLN 91 CO 0.00 0.59 -0.02 1.03 -2.12 0.00 0.00 175.29 174.77 2jqj s ARG 92 N -1.09 3.51 0.05 2.91 0.52 -1.01 -4.95 118.95 118.89 2jqj s ARG 92 Ca 0.33 -0.57 0.06 0.00 -0.52 0.00 0.00 55.73 55.03 2jqj s ARG 92 Cb -0.22 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2jqj s ARG 92 CO 0.24 -0.08 -0.11 -0.80 0.02 0.00 0.00 175.30 174.57 2jqj s ASN 93 N 1.22 4.32 -0.01 0.23 0.01 -1.26 -2.69 114.94 116.76 2jqj s ASN 93 Ca 0.03 -0.31 0.04 0.00 -0.71 0.00 0.00 52.86 51.91 2jqj s ASN 93 Cb -0.15 -0.86 -0.01 0.00 0.41 0.00 0.00 41.25 40.64 2jqj s ASN 93 CO 0.00 0.23 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.92 2jqj s LEU 94 N -1.74 2.03 -0.03 0.60 1.43 -1.17 -5.00 118.68 114.80 2jqj s LEU 94 Ca 0.18 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2jqj s LEU 94 Cb -0.11 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 2jqj s LEU 94 CO 0.09 0.18 -0.24 -0.63 0.23 0.00 0.00 176.35 175.98 2jqj s ILE 95 N -0.34 1.95 0.00 -0.59 1.09 -1.12 -3.08 121.20 119.11 2jqj s ILE 95 Ca 0.06 -1.04 0.05 0.00 -1.10 0.00 0.00 60.65 58.61 2jqj s ILE 95 Cb -0.06 -1.63 -0.03 0.00 -1.06 0.00 0.00 42.46 39.68 2jqj s ILE 95 CO -0.01 0.55 -0.13 0.21 -0.10 0.00 0.00 174.94 175.46 2jqj s ASN 96 N -0.43 4.12 -0.14 3.58 2.47 -1.03 0.98 114.94 124.49 2jqj s ASN 96 Ca 0.05 -0.27 -0.05 0.00 0.42 0.00 0.00 52.86 53.01 2jqj s ASN 96 Cb -0.11 -0.83 -0.04 0.00 -1.45 0.00 0.00 41.25 38.83 2jqj s ASN 96 CO 0.00 0.29 0.05 -0.69 -3.72 0.00 0.00 177.10 173.04 2jqj s VAL 97 N -0.89 4.71 0.04 -5.21 1.01 0.49 -2.16 120.40 118.40 2jqj s VAL 97 Ca 0.14 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2jqj s VAL 97 Cb -0.11 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2jqj s VAL 97 CO 0.05 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.91 2jqj s ILE 98 N -0.30 1.14 -0.15 2.22 1.01 -0.97 -2.88 121.20 121.27 2jqj s ILE 98 Ca 0.08 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2jqj s ILE 98 Cb -0.12 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2jqj s ILE 98 CO 0.02 -0.02 -0.21 1.51 0.00 0.00 0.00 174.94 176.24 2jqj s ASP 99 N -1.23 3.15 0.00 3.58 -4.77 -1.26 -3.36 116.67 112.78 2jqj s ASP 99 Ca 0.01 -0.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 2jqj s ASP 99 Cb -0.08 -1.46 0.00 0.00 -1.09 0.00 0.00 42.92 40.28 2jqj s ASP 99 CO 0.01 0.06 0.00 0.29 0.70 0.00 0.00 175.17 176.23 2jqj n LYS 100 N 4.24 0.00 -1.59 2.11 4.76 -1.25 -5.07 118.16 121.36 2jqj n LYS 100 Ca -0.20 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 54.92 2jqj n LYS 100 Cb 0.51 -0.77 0.06 0.00 -1.84 0.00 0.00 35.03 32.98 2jqj n LYS 100 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jqj s SER 101 N -3.93 5.06 -0.30 4.39 0.01 -1.22 -4.97 113.70 112.73 2jqj s SER 101 Ca 0.00 1.83 0.09 0.00 1.31 0.00 0.00 55.95 59.18 2jqj s SER 101 Cb 0.00 -2.53 0.53 0.00 0.21 0.00 0.00 66.02 64.23 2jqj s SER 101 CO 0.00 -1.66 1.51 -1.14 0.41 0.00 0.00 173.24 172.36 2jqj n ARG 102 N -2.90 1.97 0.02 12.44 3.00 -1.26 -4.59 116.66 125.34 2jqj n ARG 102 Ca 0.09 -3.15 -0.22 0.00 -0.00 0.00 0.00 57.85 54.57 2jqj n ARG 102 Cb 0.53 -1.86 -0.14 0.00 0.00 0.00 0.00 32.46 30.99 2jqj n ARG 102 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jqj h ASN 103 N 1.07 0.44 0.00 6.15 4.21 -1.95 -3.50 115.58 122.01 2jqj h ASN 103 Ca 0.25 -0.88 0.00 0.00 1.21 0.00 0.00 56.30 56.87 2jqj h ASN 103 Cb 1.77 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.83 2jqj h ASN 103 CO 0.45 1.71 0.00 0.61 -1.29 0.00 0.00 177.43 178.91 2jqj n GLY 104 N 1.82 2.28 3.41 2.83 0.00 -1.26 -4.89 105.19 109.37 2jqj n GLY 104 Ca -0.27 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2jqj n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqj s THR 105 N 0.00 3.80 -0.21 2.61 2.01 -1.26 -0.96 115.64 121.62 2jqj s THR 105 Ca 0.00 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2jqj s THR 105 Cb 0.00 -2.72 0.04 0.00 0.01 0.00 0.00 72.50 69.83 2jqj s THR 105 CO 0.00 0.42 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.85 2jqj s PHE 106 N 1.14 2.90 -0.05 4.92 0.08 0.22 -2.50 117.98 124.68 2jqj s PHE 106 Ca 0.02 -1.90 0.06 0.00 0.12 0.00 0.00 56.93 55.23 2jqj s PHE 106 Cb -0.14 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2jqj s PHE 106 CO 0.01 -0.82 -0.22 -1.50 -0.10 0.00 0.00 175.22 172.58 2jqj s ILE 107 N 1.24 2.34 -1.55 0.64 1.10 0.70 0.05 121.20 125.72 2jqj s ILE 107 Ca -0.02 -0.98 -0.02 0.00 -0.51 0.00 0.00 60.65 59.13 2jqj s ILE 107 Cb -0.16 -1.87 0.00 0.00 0.15 0.00 0.00 42.46 40.58 2jqj s ILE 107 CO -0.09 0.57 0.24 0.59 -2.11 0.00 0.00 174.94 174.14 2jqj n ASN 108 N 2.71 -5.63 -0.06 4.50 5.03 -0.17 -1.33 115.26 120.31 2jqj n ASN 108 Ca -0.17 -0.12 -0.01 0.00 0.87 0.00 0.00 54.58 55.15 2jqj n ASN 108 Cb 0.52 -4.58 -0.00 0.00 -1.02 0.00 0.00 39.78 34.69 2jqj n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqj n GLY 109 N -1.21 0.36 3.12 7.41 0.00 -1.26 -4.99 105.19 108.62 2jqj n GLY 109 Ca -0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2jqj n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqj s ASN 110 N -2.08 1.21 0.28 1.61 0.02 -0.44 -5.13 114.94 110.41 2jqj s ASN 110 Ca 0.00 -0.66 -0.29 0.00 -1.02 0.00 0.00 52.86 50.89 2jqj s ASN 110 Cb 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 41.25 41.19 2jqj s ASN 110 CO 0.00 -0.21 1.21 0.00 0.02 0.00 0.00 177.10 178.12 2jqj s ARG 111 N -2.06 4.50 -0.07 -0.60 1.70 -1.26 -0.21 118.95 120.94 2jqj s ARG 111 Ca -0.03 1.99 -0.24 0.00 -0.47 0.00 0.00 55.73 56.97 2jqj s ARG 111 Cb -0.07 -3.15 -0.03 0.00 -0.57 0.00 0.00 34.95 31.12 2jqj s ARG 111 CO 0.00 -0.01 0.75 -1.17 -1.08 0.00 0.00 175.30 173.80 2jqj s LEU 112 N -1.35 4.31 0.00 -1.89 0.20 -1.04 -4.85 118.68 114.05 2jqj s LEU 112 Ca 0.48 1.25 0.00 0.00 0.69 0.00 0.00 54.13 56.55 2jqj s LEU 112 Cb -0.35 -3.16 0.00 0.00 -0.43 0.00 0.00 46.19 42.24 2jqj s LEU 112 CO 0.45 -0.16 0.00 0.55 -0.29 0.00 0.00 176.35 176.89 2jqj n VAL 113 N 3.90 0.00 -0.86 1.68 3.14 -1.26 -4.95 118.33 119.98 2jqj n VAL 113 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2jqj n VAL 113 Cb 0.51 -0.76 0.23 0.00 -1.06 0.00 0.00 33.84 32.76 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2jqj s LYS 114 N -1.85 -0.86 -0.23 1.45 -0.14 -1.26 -4.98 119.74 111.86 2jqj s LYS 114 Ca 0.00 0.40 0.10 0.00 -1.36 0.00 0.00 55.97 55.11 2jqj s LYS 114 Cb 0.00 -1.60 0.44 0.00 -1.68 0.00 0.00 37.83 34.99 2jqj s LYS 114 CO 0.00 -3.57 1.25 1.17 -0.76 0.00 0.00 175.35 173.44 2jqj n LYS 115 N -4.75 1.89 -2.72 1.68 4.81 -1.26 -4.71 118.16 113.11 2jqj n LYS 115 Ca 0.07 -3.41 -0.08 0.00 -0.87 0.00 0.00 58.31 54.02 2jqj n LYS 115 Cb 0.57 -1.73 0.10 0.00 0.02 0.00 0.00 35.03 33.98 2jqj n LYS 115 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jqj n ASP 116 N -1.07 -2.12 -4.75 3.14 -0.08 -1.26 -4.95 116.55 105.47 2jqj n ASP 116 Ca 0.24 -3.23 -0.40 0.00 -1.51 0.00 0.00 54.79 49.90 2jqj n ASP 116 Cb 0.77 1.66 -0.05 0.00 2.34 0.00 0.00 41.12 45.83 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2jqj s TYR 117 N 0.23 3.89 -0.31 -0.67 5.04 -1.14 -4.90 117.35 119.48 2jqj s TYR 117 Ca 0.21 1.86 -0.13 0.00 -2.44 0.00 0.00 57.07 56.57 2jqj s TYR 117 Cb 0.30 -3.05 -0.03 0.00 0.35 0.00 0.00 41.96 39.54 2jqj s TYR 117 CO -0.07 0.23 0.28 -1.50 -1.34 0.00 0.00 175.55 173.15 2jqj s ILE 118 N -0.98 5.24 -0.17 3.14 1.10 -1.26 -0.38 121.20 127.90 2jqj s ILE 118 Ca 0.43 0.08 -0.07 0.00 -0.51 0.00 0.00 60.65 60.57 2jqj s ILE 118 Cb -0.27 -3.69 -0.04 0.00 0.15 0.00 0.00 42.46 38.61 2jqj s ILE 118 CO 0.33 0.06 0.07 -0.22 -2.11 0.00 0.00 174.94 173.08 2jqj s LEU 119 N 1.87 3.90 0.41 8.50 0.20 0.27 -4.94 118.68 128.89 2jqj s LEU 119 Ca 0.09 0.14 0.04 0.00 0.69 0.00 0.00 54.13 55.09 2jqj s LEU 119 Cb -0.17 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2jqj s LEU 119 CO 0.11 0.20 0.13 -0.75 -0.29 0.00 0.00 176.35 175.76 2jqj s LYS 120 N 0.19 1.93 0.39 1.98 2.47 -1.26 -2.81 119.74 122.63 2jqj s LYS 120 Ca 0.05 -2.17 -0.27 0.00 -1.56 0.00 0.00 55.97 52.02 2jqj s LYS 120 Cb -0.12 -0.58 -0.11 0.00 -1.46 0.00 0.00 37.83 35.56 2jqj s LYS 120 CO 0.00 -0.48 1.36 0.27 0.16 0.00 0.00 175.35 176.65 2jqj n ASN 121 N -1.32 3.04 -1.55 1.43 6.94 -1.26 -3.34 115.26 119.21 2jqj n ASN 121 Ca -0.06 1.17 -0.05 0.00 -0.02 0.00 0.00 54.58 55.62 2jqj n ASN 121 Cb 0.65 -1.54 0.02 0.00 -2.36 0.00 0.00 39.78 36.55 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jqj n GLY 122 N 0.67 0.31 3.15 4.83 0.00 0.19 -5.00 105.19 109.35 2jqj n GLY 122 Ca 0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2jqj n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jqj s ASP 123 N -3.29 2.56 -0.25 1.61 1.11 -1.17 -4.95 116.67 112.29 2jqj s ASP 123 Ca 0.04 -0.45 -0.13 0.00 0.18 0.00 0.00 52.55 52.19 2jqj s ASP 123 Cb -0.02 -1.06 -0.04 0.00 1.07 0.00 0.00 42.92 42.87 2jqj s ASP 123 CO 0.19 0.13 0.27 -0.60 1.18 0.00 0.00 175.17 176.34 2jqj s ARG 124 N 0.34 4.05 -0.10 8.23 3.52 -1.26 -0.61 118.95 133.12 2jqj s ARG 124 Ca -0.14 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2jqj s ARG 124 Cb -0.16 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2jqj s ARG 124 CO 0.06 -0.10 -0.15 0.42 -0.81 0.00 0.00 175.30 174.71 2jqj s ILE 125 N 1.54 2.91 -0.13 4.11 1.09 0.08 -1.00 121.20 129.80 2jqj s ILE 125 Ca 0.12 -0.74 0.01 0.00 -1.10 0.00 0.00 60.65 58.94 2jqj s ILE 125 Cb -0.15 -2.18 0.02 0.00 -1.06 0.00 0.00 42.46 39.09 2jqj s ILE 125 CO 0.08 0.55 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.62 2jqj s VAL 126 N -0.03 1.63 -0.27 2.92 1.01 0.11 -2.03 120.40 123.73 2jqj s VAL 126 Ca -0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2jqj s VAL 126 Cb -0.14 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.80 2jqj s VAL 126 CO 0.04 0.47 -0.05 -0.36 0.00 0.00 0.00 175.10 175.20 2jqj s PHE 127 N 1.09 3.19 0.00 5.22 0.08 -1.19 -0.61 117.98 125.76 2jqj s PHE 127 Ca -0.03 -1.87 0.00 0.00 0.12 0.00 0.00 56.93 55.14 2jqj s PHE 127 Cb -0.14 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 2jqj s PHE 127 CO -0.04 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 2jqj n GLY 128 N 4.59 2.51 1.99 4.36 0.00 -0.14 -3.89 105.19 114.61 2jqj n GLY 128 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2jqj n GLY 128 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 129 N -2.00 -0.07 0.00 1.61 4.81 -1.26 -4.93 118.16 116.32 2jqj n LYS 129 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2jqj n LYS 129 Cb 0.00 -3.51 0.00 0.00 0.02 0.00 0.00 35.03 31.54 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jqj n SER 130 N 1.83 0.00 -4.30 3.14 3.41 -1.25 -5.03 113.62 111.43 2jqj n SER 130 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.23 2jqj n SER 130 Cb 0.51 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqj s SER 132 N 1.44 3.59 0.04 0.00 0.01 -1.26 -3.16 113.70 114.35 2jqj s SER 132 Ca 0.00 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 2jqj s SER 132 Cb -0.18 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 2jqj s SER 132 CO 0.02 0.18 0.01 0.72 0.41 0.00 0.00 173.24 174.58 2jqj s PHE 133 N 0.24 0.35 -0.08 2.43 -0.12 -0.86 -1.82 117.98 118.12 2jqj s PHE 133 Ca -0.12 -0.76 -0.01 0.00 -0.05 0.00 0.00 56.93 55.99 2jqj s PHE 133 Cb -0.16 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 2jqj s PHE 133 CO 0.06 -0.33 -0.01 -1.17 -0.05 0.00 0.00 175.22 173.72 2jqj s LEU 134 N -2.33 3.48 -0.08 -1.99 0.20 -0.66 -0.74 118.68 116.57 2jqj s LEU 134 Ca -0.02 0.10 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 2jqj s LEU 134 Cb 0.01 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2jqj s LEU 134 CO -0.06 0.37 0.12 0.12 -0.29 0.00 0.00 176.35 176.61 2jqj s PHE 135 N -0.87 3.49 -0.10 5.38 5.36 0.22 -2.28 117.98 129.18 2jqj s PHE 135 Ca 0.13 0.41 -0.20 0.00 -0.96 0.00 0.00 56.93 56.31 2jqj s PHE 135 Cb -0.11 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.74 2jqj s PHE 135 CO 0.02 0.66 0.50 0.15 -1.46 0.00 0.00 175.22 175.09 2jqj s LYS 136 N -1.23 0.75 0.28 10.12 1.02 -1.12 -0.64 119.74 128.92 2jqj s LYS 136 Ca 0.18 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 2jqj s LYS 136 Cb -0.12 0.35 -0.10 0.00 -0.52 0.00 0.00 37.83 37.45 2jqj s LYS 136 CO 0.07 -0.18 1.12 0.71 -0.92 0.00 0.00 175.35 176.16 2jqj s TYR 137 N -0.63 3.53 -0.58 3.18 2.02 -1.26 -1.75 117.35 121.86 2jqj s TYR 137 Ca -0.07 1.66 0.03 0.00 -0.37 0.00 0.00 57.07 58.33 2jqj s TYR 137 Cb -0.03 -3.32 0.14 0.00 -0.40 0.00 0.00 41.96 38.35 2jqj s TYR 137 CO 0.04 -0.69 0.34 0.00 -1.57 0.00 0.00 175.55 173.67 2jqj s ALA 138 N -1.11 3.46 0.08 3.71 0.00 0.29 -4.90 121.76 123.30 2jqj s ALA 138 Ca 0.45 -3.41 -0.16 0.00 0.00 0.00 0.00 51.96 48.84 2jqj s ALA 138 Cb -0.33 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 2jqj s ALA 138 CO 0.42 -2.05 0.52 0.45 0.00 0.00 0.00 175.76 175.10 2jqj s SER 139 N -0.46 6.92 0.20 0.00 0.15 -1.26 -4.57 113.70 114.68 2jqj s SER 139 Ca 0.19 1.13 0.05 0.00 0.70 0.00 0.00 55.95 58.01 2jqj s SER 139 Cb -0.21 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2jqj s SER 139 CO -0.04 0.23 0.27 -0.44 1.20 0.00 0.00 173.24 174.46 2jqj s SER 140 N -1.30 6.05 -0.15 5.45 0.01 -1.26 -4.87 113.70 117.62 2jqj s SER 140 Ca 0.30 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.47 2jqj s SER 140 Cb -0.17 -1.72 0.04 0.00 0.21 0.00 0.00 66.02 64.37 2jqj s SER 140 CO 0.18 0.00 0.22 -1.20 0.41 0.00 0.00 173.24 172.84 2jqj n SER 141 N -0.90 -1.57 0.13 2.44 7.64 -1.26 -5.04 113.62 115.06 2jqj n SER 141 Ca -0.08 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2jqj n SER 141 Cb 0.56 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.57 2jqj n SER 141 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jqj n SER 142 N 1.70 -0.62 -4.64 6.43 7.64 -1.26 -5.07 113.62 117.80 2jqj n SER 142 Ca -0.36 0.46 -0.43 0.00 1.01 0.00 0.00 58.87 59.55 2jqj n SER 142 Cb 0.56 0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 64.50 2jqj n SER 142 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jqj s THR 143 N -1.81 4.45 -0.06 0.44 -4.23 -1.26 -4.86 115.64 108.31 2jqj s THR 143 Ca 0.00 1.69 0.09 0.00 -1.18 0.00 0.00 61.69 62.29 2jqj s THR 143 Cb 0.00 -4.30 -0.13 0.00 1.34 0.00 0.00 72.50 69.41 2jqj s THR 143 CO 0.00 -0.39 0.11 -0.90 -0.54 0.00 0.00 174.62 172.90 2jqj n ASP 144 N 6.87 2.78 -3.63 3.99 5.75 -1.26 -4.95 116.55 126.10 2jqj n ASP 144 Ca 0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.73 2jqj n ASP 144 Cb 0.47 1.04 -0.15 0.00 -1.03 0.00 0.00 41.12 41.44 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2jqj s ILE 145 N -2.42 -0.26 -0.74 2.12 -1.09 -1.26 -5.08 121.20 112.47 2jqj s ILE 145 Ca -0.04 0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 2jqj s ILE 145 Cb 0.04 -0.39 0.18 0.00 -1.58 0.00 0.00 42.46 40.71 2jqj s ILE 145 CO 0.38 0.05 0.55 -1.61 -1.23 0.00 0.00 174.94 173.09 2jqj s GLU 146 N 2.29 2.68 0.05 2.79 2.02 -1.26 -4.90 118.70 122.37 2jqj s GLU 146 Ca 0.04 -3.17 -0.16 0.00 0.02 0.00 0.00 54.97 51.70 2jqj s GLU 146 Cb -0.13 -3.61 -0.24 0.00 0.10 0.00 0.00 34.13 30.25 2jqj s GLU 146 CO -0.07 -1.25 1.16 -0.97 0.02 0.00 0.00 175.26 174.15 2jqj h ASN 147 N 5.87 0.80 -3.57 -0.19 -0.73 -2.05 -3.45 115.58 112.26 2jqj h ASN 147 Ca 0.11 -0.75 -0.49 0.00 1.87 0.00 0.00 56.30 57.04 2jqj h ASN 147 Cb 0.81 -0.25 0.04 0.00 0.27 0.00 0.00 38.32 39.19 2jqj h ASN 147 CO 0.76 1.45 0.12 1.51 -0.37 0.00 0.00 177.43 180.90 2jqj s ASP 148 N -7.14 6.14 -0.06 1.15 1.47 -1.26 -5.10 116.67 111.87 2jqj s ASP 148 Ca -0.11 0.88 -0.00 0.00 1.18 0.00 0.00 52.55 54.50 2jqj s ASP 148 Cb 0.06 -2.14 0.03 0.00 -0.34 0.00 0.00 42.92 40.52 2jqj s ASP 148 CO 0.89 -0.66 -0.02 -0.62 0.68 0.00 0.00 175.17 175.44 2jqj s ASP 149 N -4.14 1.39 0.02 2.11 2.15 -1.26 -5.14 116.67 111.80 2jqj s ASP 149 Ca 0.49 -0.12 -0.04 0.00 0.43 0.00 0.00 52.55 53.31 2jqj s ASP 149 Cb -0.10 -0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 42.03 2jqj s ASP 149 CO 0.45 -0.13 0.06 -1.61 -0.17 0.00 0.00 175.17 173.76 2jqj s GLU 150 N 1.55 0.48 -0.30 4.34 2.02 -1.26 -5.14 118.70 120.39 2jqj s GLU 150 Ca -0.01 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 2jqj s GLU 150 Cb -0.13 0.19 0.19 0.00 0.10 0.00 0.00 34.13 34.48 2jqj s GLU 150 CO -0.04 -0.11 0.70 -1.59 0.02 0.00 0.00 175.26 174.24 2jqj s LYS 151 N -2.07 0.48 -0.02 1.61 0.00 -1.26 -5.03 119.74 113.45 2jqj s LYS 151 Ca -0.10 0.75 -0.07 0.00 0.00 0.00 0.00 55.97 56.55 2jqj s LYS 151 Cb -0.05 0.40 -0.03 0.00 0.00 0.00 0.00 37.83 38.16 2jqj s LYS 151 CO -0.02 -0.63 -0.13 0.28 0.00 0.00 0.00 175.35 174.84 2jqj n VAL 152 N 5.42 1.26 -2.34 1.79 0.31 -1.26 -4.88 118.33 118.63 2jqj n VAL 152 Ca -0.00 0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.60 2jqj n VAL 152 Cb 0.52 -1.86 0.07 0.00 -0.91 0.00 0.00 33.84 31.66 2jqj n VAL 152 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jqj n SER 153 N -3.83 1.56 -4.93 4.52 7.64 -1.26 -5.09 113.62 112.24 2jqj n SER 153 Ca -0.07 -2.54 -0.20 0.00 1.01 0.00 0.00 58.87 57.08 2jqj n SER 153 Cb 0.25 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 2jqj n SER 153 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jqj s SER 154 N -2.73 5.24 -0.03 6.43 1.04 -1.26 -5.14 113.70 117.25 2jqj s SER 154 Ca 0.35 -0.65 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 2jqj s SER 154 Cb 0.37 -0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.96 2jqj s SER 154 CO -0.11 -0.73 0.13 -1.61 0.98 0.00 0.00 173.24 171.91 2jqj s GLU 155 N -4.23 0.31 0.20 4.02 2.02 -1.26 -5.09 118.70 114.67 2jqj s GLU 155 Ca 0.51 -0.09 -0.27 0.00 0.02 0.00 0.00 54.97 55.14 2jqj s GLU 155 Cb -0.06 0.13 -0.08 0.00 0.10 0.00 0.00 34.13 34.22 2jqj s GLU 155 CO 0.30 -0.06 0.84 -1.12 0.02 0.00 0.00 175.26 175.24 2jqj s SER 156 N -0.60 7.48 -1.46 -0.19 0.01 -1.26 -3.74 113.70 113.94 2jqj s SER 156 Ca -0.07 1.76 -0.06 0.00 1.31 0.00 0.00 55.95 58.90 2jqj s SER 156 Cb -0.04 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.65 2jqj s SER 156 CO 0.01 0.18 0.76 0.54 0.41 0.00 0.00 173.24 175.13 2jqj n ARG 157 N 1.49 -5.67 -3.56 12.44 5.12 -1.26 -4.97 116.66 120.25 2jqj n ARG 157 Ca -0.04 0.86 -0.29 0.00 -1.93 0.00 0.00 57.85 56.45 2jqj n ARG 157 Cb 0.48 -5.72 -0.14 0.00 -1.16 0.00 0.00 32.46 25.93 2jqj n ARG 157 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2jqj s SER 158 N -2.90 3.44 0.00 0.55 0.01 -1.25 -5.34 113.70 108.22 2jqj s SER 158 Ca 0.38 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.86 2jqj s SER 158 Cb -0.17 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2jqj s SER 158 CO 0.47 -0.38 0.00 -1.22 0.41 0.00 0.00 173.24 172.52