#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 -4.70 -2.45 -1.58 5.12 -1.26 -4.89 116.66 106.90 2jqj n ARG 20 Ca 0.00 3.51 -0.42 0.00 -1.93 0.00 0.00 57.85 59.01 2jqj n ARG 20 Cb 0.00 -4.99 -0.03 0.00 -1.16 0.00 0.00 32.46 26.29 2jqj n ARG 20 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2jqj s GLN 21 N -0.67 4.39 0.20 5.56 -2.07 -1.26 -4.80 119.66 121.00 2jqj s GLN 21 Ca -0.24 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.00 2jqj s GLN 21 Cb 0.02 -3.48 0.00 0.00 -1.09 0.00 0.00 33.01 28.45 2jqj s GLN 21 CO 0.65 -0.37 0.00 1.04 -1.32 0.00 0.00 175.29 175.29 2jqj n GLN 22 N 4.73 0.00 -2.61 9.60 6.02 -1.26 -5.14 117.38 128.72 2jqj n GLN 22 Ca 0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 2jqj n GLN 22 Cb 0.46 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.68 2jqj n GLN 22 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jqj n ARG 23 N -3.01 -4.61 -0.05 -1.09 1.74 -1.26 -4.93 116.66 103.45 2jqj n ARG 23 Ca 0.00 3.47 -0.15 0.00 -0.77 0.00 0.00 57.85 60.40 2jqj n ARG 23 Cb 0.00 -5.12 -0.07 0.00 -1.02 0.00 0.00 32.46 26.25 2jqj n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jqj h SER 24 N 4.09 0.70 -3.54 0.55 4.64 -2.02 -3.47 113.55 114.51 2jqj h SER 24 Ca -0.56 -0.59 -0.50 0.00 -0.47 0.00 0.00 61.79 59.67 2jqj h SER 24 Cb 1.25 -0.20 -0.14 0.00 -0.31 0.00 0.00 62.40 63.00 2jqj h SER 24 CO 0.01 1.17 -0.55 0.21 -0.87 0.00 0.00 176.83 176.81 2jqj s ASN 25 N -6.70 2.37 0.04 4.97 3.04 -1.26 -5.06 114.94 112.34 2jqj s ASN 25 Ca -0.12 -1.57 0.00 0.00 0.04 0.00 0.00 52.86 51.21 2jqj s ASN 25 Cb 0.07 0.33 0.00 0.00 -1.54 0.00 0.00 41.25 40.10 2jqj s ASN 25 CO 0.84 -0.84 0.00 0.29 -3.04 0.00 0.00 177.10 174.35 2jqj n LYS 26 N -0.77 0.00 -2.11 0.43 4.76 -1.26 -5.15 118.16 114.06 2jqj n LYS 26 Ca -0.03 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.03 2jqj n LYS 26 Cb 0.65 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 2jqj n LYS 26 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jqj s PRO 27 N -1.81 3.67 0.02 1.97 0.04 -1.26 -5.03 135.00 132.60 2jqj s PRO 27 Ca 0.00 1.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 2jqj s PRO 27 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2jqj s PRO 27 CO 0.00 -0.68 0.03 0.43 0.04 0.00 0.00 177.00 176.82 2jqj n SER 28 N -0.47 -0.08 -3.73 6.66 7.64 -1.26 -5.18 113.62 117.20 2jqj n SER 28 Ca 0.07 -1.08 -0.13 0.00 1.01 0.00 0.00 58.87 58.75 2jqj n SER 28 Cb 0.46 0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 2jqj n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jqj s SER 29 N -1.09 -0.44 0.94 6.43 0.01 -1.26 -5.16 113.70 113.12 2jqj s SER 29 Ca 0.01 0.84 -0.10 0.00 1.31 0.00 0.00 55.95 58.00 2jqj s SER 29 Cb -0.00 0.82 0.16 0.00 0.21 0.00 0.00 66.02 67.21 2jqj s SER 29 CO 0.01 -0.15 1.14 -0.70 0.41 0.00 0.00 173.24 173.94 2jqj s GLU 30 N 0.44 0.83 0.00 12.44 2.12 -1.26 -5.03 118.70 128.25 2jqj s GLU 30 Ca -0.02 1.50 0.00 0.00 0.36 0.00 0.00 54.97 56.81 2jqj s GLU 30 Cb -0.04 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2jqj s GLU 30 CO -0.02 -2.74 0.00 0.66 -0.54 0.00 0.00 175.26 172.62 2jqj n TYR 31 N -4.31 0.00 -3.76 5.30 4.02 -1.26 -5.01 117.16 112.14 2jqj n TYR 31 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.85 2jqj n TYR 31 Cb 0.52 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.68 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 0.00 -0.07 -0.22 -0.72 -4.23 -1.26 -5.01 115.64 104.13 2jqj s THR 32 Ca 0.00 0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2jqj s THR 32 Cb 0.00 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.71 2jqj s THR 32 CO 0.00 0.10 1.61 0.00 -0.54 0.00 0.00 174.62 175.79 2jqj n LEU 34 N 8.45 2.45 0.00 0.00 7.94 -1.19 -4.96 117.00 129.69 2jqj n LEU 34 Ca 0.19 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 2jqj n LEU 34 Cb 0.45 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2jqj n LEU 34 CO 0.65 0.45 0.00 0.61 -1.11 0.00 0.00 177.39 177.98 2jqj n GLY 35 N 3.28 3.39 3.18 -3.96 0.00 -1.18 -0.38 105.19 109.52 2jqj n GLY 35 Ca -0.04 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 2jqj n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqj s HIS 36 N -4.33 0.34 -0.20 1.61 3.76 -0.68 -2.34 115.29 113.45 2jqj s HIS 36 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 2jqj s HIS 36 Cb 0.00 -0.18 0.05 0.00 1.11 0.00 0.00 32.58 33.56 2jqj s HIS 36 CO 0.00 -0.52 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.80 2jqj s LEU 37 N -2.90 2.08 -0.25 0.89 1.43 -0.51 -3.03 118.68 116.39 2jqj s LEU 37 Ca 0.08 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 2jqj s LEU 37 Cb 0.06 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2jqj s LEU 37 CO -0.08 -0.20 0.35 -0.69 0.23 0.00 0.00 176.35 175.96 2jqj s VAL 38 N 1.51 5.20 -0.16 -1.59 1.01 -0.83 -1.91 120.40 123.62 2jqj s VAL 38 Ca -0.02 0.55 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 2jqj s VAL 38 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2jqj s VAL 38 CO -0.07 0.20 0.57 0.20 0.00 0.00 0.00 175.10 176.00 2jqj s ASN 39 N 1.44 6.68 -0.40 3.32 0.02 0.15 -1.06 114.94 125.10 2jqj s ASN 39 Ca 0.15 0.82 -0.10 0.00 -1.02 0.00 0.00 52.86 52.72 2jqj s ASN 39 Cb -0.15 -2.32 0.06 0.00 0.02 0.00 0.00 41.25 38.85 2jqj s ASN 39 CO 0.09 -0.16 0.23 -0.76 0.02 0.00 0.00 177.10 176.52 2jqj s LEU 40 N 1.40 4.97 -0.03 0.60 1.02 0.10 -1.67 118.68 125.07 2jqj s LEU 40 Ca 0.28 -1.32 0.06 0.00 0.02 0.00 0.00 54.13 53.16 2jqj s LEU 40 Cb -0.16 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 2jqj s LEU 40 CO 0.11 -0.48 -0.20 -0.63 0.02 0.00 0.00 176.35 175.17 2jqj s ILE 41 N 1.47 1.64 -0.84 -0.59 -1.09 -0.73 -4.31 121.20 116.74 2jqj s ILE 41 Ca 0.02 -0.87 -0.22 0.00 -2.23 0.00 0.00 60.65 57.36 2jqj s ILE 41 Cb -0.22 -1.37 -0.18 0.00 -1.58 0.00 0.00 42.46 39.11 2jqj s ILE 41 CO 0.04 0.46 2.22 -2.65 -1.23 0.00 0.00 174.94 173.78 2jqj n PRO 42 N 2.77 0.33 0.00 2.79 -0.02 -1.26 -0.57 135.00 139.04 2jqj n PRO 42 Ca -0.16 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.45 2jqj n PRO 42 Cb 0.53 -3.19 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 2jqj n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jqj n GLY 43 N 6.33 1.14 0.00 -1.23 0.00 -1.26 -5.11 105.19 105.06 2jqj n GLY 43 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2jqj n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqj n LYS 44 N 0.00 0.00 -4.23 1.61 5.02 0.26 -5.19 118.16 115.63 2jqj n LYS 44 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2jqj n LYS 44 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2jqj n LYS 44 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2jqj n GLU 45 N -0.15 0.87 -3.71 1.97 0.00 -1.26 -1.77 120.64 116.59 2jqj n GLU 45 Ca 0.00 -3.11 -0.12 0.00 0.00 0.00 0.00 57.16 53.93 2jqj n GLU 45 Cb 0.00 1.03 -0.10 0.00 0.00 0.00 0.00 31.44 32.37 2jqj n GLU 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 2jqj s GLN 46 N -3.51 0.44 -0.21 3.44 0.74 -0.67 -4.93 119.66 114.96 2jqj s GLN 46 Ca 0.04 0.68 -0.05 0.00 0.05 0.00 0.00 55.36 56.09 2jqj s GLN 46 Cb 0.00 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.20 2jqj s GLN 46 CO 0.03 -0.11 0.00 0.21 -0.55 0.00 0.00 175.29 174.87 2jqj s LYS 47 N 0.82 3.56 0.13 1.67 2.20 -1.26 0.32 119.74 127.18 2jqj s LYS 47 Ca -0.05 -0.54 0.10 0.00 -0.36 0.00 0.00 55.97 55.12 2jqj s LYS 47 Cb -0.06 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2jqj s LYS 47 CO -0.06 -0.07 -0.23 0.08 -0.36 0.00 0.00 175.35 174.70 2jqj s VAL 48 N 1.22 2.02 -0.14 4.02 1.01 -0.80 -4.99 120.40 122.74 2jqj s VAL 48 Ca 0.03 -1.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.13 2jqj s VAL 48 Cb -0.15 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2jqj s VAL 48 CO 0.01 -0.04 0.36 -1.61 0.00 0.00 0.00 175.10 173.82 2jqj s GLU 49 N -2.16 4.26 -0.13 2.72 8.01 -1.26 -1.42 118.70 128.72 2jqj s GLU 49 Ca 0.12 0.22 0.01 0.00 0.01 0.00 0.00 54.97 55.33 2jqj s GLU 49 Cb -0.09 -3.42 -0.01 0.00 -4.31 0.00 0.00 34.13 26.30 2jqj s GLU 49 CO 0.06 0.24 -0.16 -1.50 0.01 0.00 0.00 175.26 173.91 2jqj s ILE 50 N 0.43 2.71 0.45 -1.63 2.07 -0.99 -4.94 121.20 119.30 2jqj s ILE 50 Ca 0.20 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 58.70 2jqj s ILE 50 Cb -0.14 -2.12 0.01 0.00 0.13 0.00 0.00 42.46 40.35 2jqj s ILE 50 CO 0.06 0.53 0.63 0.42 -1.91 0.00 0.00 174.94 174.67 2jqj s THR 51 N 0.46 3.28 0.00 4.00 -4.23 -1.26 -3.12 115.64 114.76 2jqj s THR 51 Ca -0.12 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2jqj s THR 51 Cb -0.16 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2jqj s THR 51 CO 0.05 -0.09 0.03 0.59 -0.54 0.00 0.00 174.62 174.66 2jqj n ASN 52 N -2.00 0.00 0.00 3.99 3.02 -1.12 -4.86 115.26 114.29 2jqj n ASN 52 Ca 0.05 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2jqj n ASN 52 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jqj n ARG 53 N -0.05 0.00 0.00 3.52 0.63 -1.26 -3.90 116.66 115.60 2jqj n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jqj n ARG 53 Cb 0.00 -3.13 0.00 0.00 0.45 0.00 0.00 32.46 29.78 2jqj n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jqj n ASN 54 N 0.00 0.00 -3.88 6.15 4.13 -0.87 -4.79 115.26 115.99 2jqj n ASN 54 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 2jqj n ASN 54 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jqj s VAL 55 N 0.00 0.28 -0.06 2.41 1.01 -1.25 -1.89 120.40 120.89 2jqj s VAL 55 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2jqj s VAL 55 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2jqj s VAL 55 CO 0.00 0.12 -0.17 -0.89 0.00 0.00 0.00 175.10 174.16 2jqj s THR 56 N 0.46 1.50 -0.03 3.92 2.01 0.55 -4.88 115.64 119.16 2jqj s THR 56 Ca -0.05 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2jqj s THR 56 Cb -0.08 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jqj s THR 56 CO -0.01 0.43 0.07 0.42 -0.69 0.00 0.00 174.62 174.85 2jqj s THR 57 N 0.32 4.74 -0.07 -0.82 -4.23 -1.26 0.75 115.64 115.07 2jqj s THR 57 Ca -0.11 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 2jqj s THR 57 Cb -0.15 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.59 2jqj s THR 57 CO 0.04 0.43 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.84 2jqj s ILE 58 N -1.12 0.91 0.00 2.99 1.09 -0.49 0.11 121.20 124.69 2jqj s ILE 58 Ca 0.20 -0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.45 2jqj s ILE 58 Cb -0.12 -0.89 0.00 0.00 -1.06 0.00 0.00 42.46 40.39 2jqj s ILE 58 CO 0.11 0.32 0.00 0.61 -0.10 0.00 0.00 174.94 175.88 2jqj n GLY 59 N 4.24 -0.63 0.05 6.18 0.00 -0.98 -3.03 105.19 111.02 2jqj n GLY 59 Ca -0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 2jqj n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqj n ARG 60 N 0.00 1.35 -1.63 1.61 0.63 -1.24 -2.10 116.66 115.28 2jqj n ARG 60 Ca 0.00 -0.05 -0.45 0.00 -0.92 0.00 0.00 57.85 56.43 2jqj n ARG 60 Cb 0.00 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jqj n SER 61 N -2.32 2.05 0.12 6.15 2.88 -1.26 -4.87 113.62 116.36 2jqj n SER 61 Ca -0.15 1.16 -0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2jqj n SER 61 Cb 0.74 -1.35 0.28 0.00 -0.75 0.00 0.00 64.21 63.14 2jqj n SER 61 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jqj h ARG 62 N 3.28 0.19 0.00 -1.46 -0.00 -1.99 -2.49 114.38 111.92 2jqj h ARG 62 Ca -0.43 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.98 58.93 2jqj h ARG 62 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.26 2jqj h ARG 62 CO 0.69 0.52 -0.19 0.66 0.00 0.00 0.00 179.97 181.65 2jqj h SER 63 N 0.17 0.00 -2.73 7.04 4.64 -2.01 -3.45 113.55 117.21 2jqj h SER 63 Ca 0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.93 2jqj h SER 63 Cb 0.70 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 63.00 2jqj h SER 63 CO 0.05 0.19 -0.42 0.00 -0.87 0.00 0.00 176.83 175.78 2jqj h ASP 65 N -2.67 0.00 -3.63 0.00 5.19 0.43 -3.46 116.42 112.29 2jqj h ASP 65 Ca -0.55 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.19 2jqj h ASP 65 Cb 1.31 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.58 2jqj h ASP 65 CO 0.40 0.12 -0.58 -0.69 -3.12 0.00 0.00 179.24 175.37 2jqj s VAL 66 N -1.16 4.34 -0.53 -1.35 1.01 0.11 -4.94 120.40 117.88 2jqj s VAL 66 Ca -0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2jqj s VAL 66 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2jqj s VAL 66 CO 0.02 0.07 0.73 0.27 0.00 0.00 0.00 175.10 176.19 2jqj s ILE 67 N 1.57 4.72 0.00 2.22 -4.36 -1.26 -2.32 121.20 121.77 2jqj s ILE 67 Ca 0.04 -0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 2jqj s ILE 67 Cb -0.17 -4.39 0.00 0.00 1.25 0.00 0.00 42.46 39.15 2jqj s ILE 67 CO 0.05 -0.93 0.00 0.18 0.24 0.00 0.00 174.94 174.47 2jqj n LEU 68 N 6.58 0.00 0.00 0.37 4.32 -0.89 -4.95 117.00 122.44 2jqj n LEU 68 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2jqj n LEU 68 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2jqj n LEU 68 CO 0.57 -0.19 0.00 -1.54 -1.22 0.00 0.00 177.39 175.01 2jqj n SER 69 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -4.92 113.62 109.42 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 -0.36 4.33 1.02 -1.26 -4.97 120.64 119.40 2jqj n GLU 70 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2jqj n GLU 70 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.59 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jqj h PRO 71 N 0.00 1.12 -0.17 3.49 0.11 -2.01 -2.78 132.00 131.76 2jqj h PRO 71 Ca 0.00 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 2jqj h PRO 71 Cb 0.00 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 30.81 2jqj h PRO 71 CO 0.00 0.74 -0.26 -0.25 -0.21 0.00 0.00 178.00 178.02 2jqj n ASP 72 N -4.52 2.17 -4.42 -2.05 8.00 -1.26 -4.99 116.55 109.48 2jqj n ASP 72 Ca 0.15 -3.77 -0.34 0.00 0.71 0.00 0.00 54.79 51.54 2jqj n ASP 72 Cb 0.17 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.57 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jqj s ILE 73 N -3.21 3.62 0.12 0.53 1.10 -1.05 -4.94 121.20 117.38 2jqj s ILE 73 Ca 0.41 -0.44 -0.30 0.00 -0.51 0.00 0.00 60.65 59.81 2jqj s ILE 73 Cb 0.38 -2.60 -0.06 0.00 0.15 0.00 0.00 42.46 40.33 2jqj s ILE 73 CO -0.03 0.47 0.99 -0.44 -2.11 0.00 0.00 174.94 173.83 2jqj s SER 74 N 0.73 7.44 0.51 4.50 0.01 -1.26 -4.36 113.70 121.27 2jqj s SER 74 Ca -0.02 1.85 0.18 0.00 1.31 0.00 0.00 55.95 59.27 2jqj s SER 74 Cb -0.15 -2.59 1.29 0.00 0.21 0.00 0.00 66.02 64.78 2jqj s SER 74 CO 0.02 -0.11 2.12 0.74 0.41 0.00 0.00 173.24 176.43 2jqj h THR 75 N 4.00 0.95 -0.45 1.44 2.02 -1.91 -1.19 112.91 117.77 2jqj h THR 75 Ca -0.43 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2jqj h THR 75 Cb 1.21 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2jqj h THR 75 CO 0.72 0.05 0.00 0.33 0.37 0.00 0.00 175.52 176.99 2jqj n PHE 76 N -4.36 0.95 0.00 3.16 -0.00 -1.26 -4.52 117.46 111.42 2jqj n PHE 76 Ca -0.03 -0.63 0.00 0.00 -0.00 0.00 0.00 57.45 56.79 2jqj n PHE 76 Cb 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 39.48 39.44 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 2jqj n HIS 77 N 0.52 0.00 -3.60 -5.13 -0.00 -0.45 -4.16 115.22 102.40 2jqj n HIS 77 Ca 0.19 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.29 2jqj n HIS 77 Cb 0.71 -0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 30.46 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 -2.94 -1.60 -0.00 1.57 0.00 -1.17 -3.61 121.76 114.01 2jqj s ALA 78 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.42 2jqj s ALA 78 Cb 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2jqj s ALA 78 CO 0.00 -0.86 -0.20 -1.21 0.00 0.00 0.00 175.76 173.49 2jqj s GLU 79 N -3.51 1.61 -0.09 0.00 2.02 -0.08 -1.39 118.70 117.25 2jqj s GLU 79 Ca 0.07 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.33 2jqj s GLU 79 Cb -0.02 -1.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.62 2jqj s GLU 79 CO -0.05 0.43 -0.23 -0.06 0.02 0.00 0.00 175.26 175.38 2jqj s PHE 80 N -0.54 2.57 -0.32 1.61 0.40 0.23 -0.69 117.98 121.24 2jqj s PHE 80 Ca 0.08 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.31 2jqj s PHE 80 Cb -0.08 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2jqj s PHE 80 CO -0.00 -0.35 0.45 -1.01 0.70 0.00 0.00 175.22 175.01 2jqj s HIS 81 N 0.23 3.21 -0.37 0.36 3.76 -0.52 0.20 115.29 122.17 2jqj s HIS 81 Ca -0.15 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 2jqj s HIS 81 Cb -0.17 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.79 2jqj s HIS 81 CO 0.07 -0.43 0.18 -0.51 -0.85 0.00 0.00 174.74 173.20 2jqj s LEU 82 N 2.23 4.63 -0.09 0.89 1.02 -0.79 -2.06 118.68 124.50 2jqj s LEU 82 Ca 0.16 -1.10 0.04 0.00 0.02 0.00 0.00 54.13 53.25 2jqj s LEU 82 Cb -0.16 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.09 2jqj s LEU 82 CO 0.12 -0.38 -0.21 -0.22 0.02 0.00 0.00 176.35 175.68 2jqj s LEU 83 N 1.49 1.98 -0.18 1.79 0.20 -1.17 -2.05 118.68 120.73 2jqj s LEU 83 Ca 0.01 -0.49 -0.05 0.00 0.69 0.00 0.00 54.13 54.28 2jqj s LEU 83 Cb -0.20 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2jqj s LEU 83 CO 0.05 0.14 0.01 -1.58 -0.29 0.00 0.00 176.35 174.68 2jqj s GLN 84 N 0.36 3.76 -0.12 1.98 -0.44 -1.26 -3.09 119.66 120.85 2jqj s GLN 84 Ca -0.16 -0.46 -0.16 0.00 -2.50 0.00 0.00 55.36 52.08 2jqj s GLN 84 Cb -0.17 -3.08 0.04 0.00 -1.64 0.00 0.00 33.01 28.17 2jqj s GLN 84 CO 0.07 0.17 0.42 1.41 0.50 0.00 0.00 175.29 177.87 2jqj s MET 85 N 0.59 0.59 -0.19 1.67 1.75 -0.98 -5.04 119.30 117.69 2jqj s MET 85 Ca 0.00 0.38 -0.10 0.00 -1.25 0.00 0.00 55.69 54.73 2jqj s MET 85 Cb -0.14 0.28 -0.05 0.00 2.84 0.00 0.00 34.83 37.76 2jqj s MET 85 CO 0.02 -0.11 0.14 0.16 -0.65 0.00 0.00 175.02 174.58 2jqj s ASP 86 N -0.25 6.24 -0.02 1.11 -4.77 -1.26 0.87 116.67 118.59 2jqj s ASP 86 Ca -0.04 0.27 0.01 0.00 -3.30 0.00 0.00 52.55 49.48 2jqj s ASP 86 Cb -0.03 -2.09 0.01 0.00 -1.09 0.00 0.00 42.92 39.72 2jqj s ASP 86 CO 0.02 0.20 -0.02 -0.69 0.70 0.00 0.00 175.17 175.38 2jqj s VAL 87 N 0.21 0.28 -1.29 2.11 1.01 0.26 -4.83 120.40 118.15 2jqj s VAL 87 Ca 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2jqj s VAL 87 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2jqj s VAL 87 CO -0.01 0.13 1.11 0.47 0.00 0.00 0.00 175.10 176.79 2jqj n ASP 88 N 3.60 -6.16 -2.43 3.32 8.00 -1.26 -1.78 116.55 119.84 2jqj n ASP 88 Ca -0.20 -0.50 -0.19 0.00 0.71 0.00 0.00 54.79 54.60 2jqj n ASP 88 Cb 0.54 -4.79 0.01 0.00 -0.02 0.00 0.00 41.12 36.87 2jqj n ASP 88 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jqj n ASN 89 N -2.75 -5.54 -3.88 -2.24 3.02 -1.26 -4.99 115.26 97.62 2jqj n ASN 89 Ca 0.01 -0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.32 2jqj n ASN 89 Cb 0.56 -4.48 -0.08 0.00 -0.61 0.00 0.00 39.78 35.17 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jqj s PHE 90 N -3.03 0.15 -0.07 3.10 0.08 -0.73 -5.14 117.98 112.34 2jqj s PHE 90 Ca 0.14 -0.49 -0.27 0.00 0.12 0.00 0.00 56.93 56.43 2jqj s PHE 90 Cb -0.06 -0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 2jqj s PHE 90 CO 0.17 -0.45 0.87 1.14 -0.10 0.00 0.00 175.22 176.84 2jqj s GLN 91 N -3.15 4.44 -0.22 0.44 -2.07 -1.26 0.93 119.66 118.78 2jqj s GLN 91 Ca -0.00 1.16 -0.01 0.00 -1.82 0.00 0.00 55.36 54.69 2jqj s GLN 91 Cb 0.02 -3.49 0.02 0.00 -1.09 0.00 0.00 33.01 28.47 2jqj s GLN 91 CO -0.07 -0.12 -0.12 1.03 -1.32 0.00 0.00 175.29 174.70 2jqj s ARG 92 N 1.34 2.93 -0.25 9.60 1.81 0.25 -4.87 118.95 129.77 2jqj s ARG 92 Ca 0.44 -0.89 -0.08 0.00 -1.72 0.00 0.00 55.73 53.48 2jqj s ARG 92 Cb -0.19 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 2jqj s ARG 92 CO 0.20 -0.31 0.08 -0.80 -0.68 0.00 0.00 175.30 173.80 2jqj s ASN 93 N 1.32 5.24 -0.14 0.23 0.02 -1.26 -2.32 114.94 118.02 2jqj s ASN 93 Ca 0.02 -0.19 0.02 0.00 -1.02 0.00 0.00 52.86 51.69 2jqj s ASN 93 Cb -0.15 -1.95 0.00 0.00 0.02 0.00 0.00 41.25 39.18 2jqj s ASN 93 CO -0.08 -0.04 -0.19 -0.76 0.02 0.00 0.00 177.10 176.06 2jqj s LEU 94 N 1.63 2.29 -0.10 0.60 1.43 -1.18 -4.89 118.68 118.47 2jqj s LEU 94 Ca 0.06 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2jqj s LEU 94 Cb -0.15 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2jqj s LEU 94 CO 0.05 0.09 -0.15 -0.63 0.23 0.00 0.00 176.35 175.93 2jqj s ILE 95 N 0.77 2.90 0.01 -0.59 -1.09 -1.15 -3.05 121.20 119.00 2jqj s ILE 95 Ca -0.07 -0.74 0.05 0.00 -2.23 0.00 0.00 60.65 57.66 2jqj s ILE 95 Cb -0.16 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 2jqj s ILE 95 CO -0.00 0.55 -0.13 0.21 -1.23 0.00 0.00 174.94 174.33 2jqj s ASN 96 N -0.01 4.12 -0.13 3.58 2.47 -0.88 0.98 114.94 125.08 2jqj s ASN 96 Ca -0.04 -0.27 -0.03 0.00 0.42 0.00 0.00 52.86 52.93 2jqj s ASN 96 Cb -0.14 -0.82 -0.03 0.00 -1.45 0.00 0.00 41.25 38.81 2jqj s ASN 96 CO 0.04 0.29 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.98 2jqj s VAL 97 N -0.90 3.90 -0.11 -5.21 1.01 0.47 -1.43 120.40 118.13 2jqj s VAL 97 Ca 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 2jqj s VAL 97 Cb -0.11 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2jqj s VAL 97 CO 0.05 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.97 2jqj s ILE 98 N 0.04 0.97 -0.21 2.22 -1.09 0.14 -2.82 121.20 120.44 2jqj s ILE 98 Ca 0.00 -0.27 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 2jqj s ILE 98 Cb -0.13 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 2jqj s ILE 98 CO 0.03 0.36 0.11 -1.81 -1.23 0.00 0.00 174.94 172.39 2jqj s ASP 99 N 1.64 5.81 -0.04 3.58 1.01 -1.26 -0.91 116.67 126.50 2jqj s ASP 99 Ca 0.03 0.08 0.25 0.00 0.71 0.00 0.00 52.55 53.62 2jqj s ASP 99 Cb -0.13 -2.02 0.43 0.00 1.01 0.00 0.00 42.92 42.21 2jqj s ASP 99 CO -0.07 0.11 1.16 0.29 0.21 0.00 0.00 175.17 176.87 2jqj n LYS 100 N 3.96 0.26 -4.67 8.23 4.76 -1.24 -5.03 118.16 124.44 2jqj n LYS 100 Ca -0.16 -2.19 -0.30 0.00 -2.87 0.00 0.00 58.31 52.79 2jqj n LYS 100 Cb 0.52 -0.22 -0.08 0.00 -1.84 0.00 0.00 35.03 33.41 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 -2.23 3.62 -0.20 4.39 0.01 -1.24 -4.82 113.70 113.22 2jqj s SER 101 Ca 0.32 -1.67 0.12 0.00 1.31 0.00 0.00 55.95 56.03 2jqj s SER 101 Cb 0.37 0.52 0.43 0.00 0.21 0.00 0.00 66.02 67.55 2jqj s SER 101 CO -0.15 -0.89 1.21 -2.11 0.41 0.00 0.00 173.24 171.72 2jqj n ARG 102 N -1.13 1.69 -0.08 12.44 1.85 -1.26 -4.76 116.66 125.40 2jqj n ARG 102 Ca -0.14 -3.30 -0.14 0.00 -1.00 0.00 0.00 57.85 53.27 2jqj n ARG 102 Cb 0.66 -1.56 -0.05 0.00 -1.05 0.00 0.00 32.46 30.47 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jqj n ASN 103 N -0.93 1.72 0.00 2.89 4.13 -1.26 -5.12 115.26 116.69 2jqj n ASN 103 Ca 0.21 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.76 2jqj n ASN 103 Cb 0.76 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2jqj n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqj n GLY 104 N 1.73 3.56 3.02 7.41 0.00 -1.26 -4.93 105.19 114.72 2jqj n GLY 104 Ca -0.24 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 1.46 -0.13 2.61 2.01 -1.26 -1.29 115.64 119.04 2jqj s THR 105 Ca 0.00 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2jqj s THR 105 Cb 0.00 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 2jqj s THR 105 CO 0.00 0.44 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.84 2jqj s PHE 106 N 1.24 2.73 -0.04 4.92 0.40 0.07 -3.61 117.98 123.70 2jqj s PHE 106 Ca -0.01 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 55.54 2jqj s PHE 106 Cb -0.14 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2jqj s PHE 106 CO -0.06 -0.32 -0.21 -1.50 0.70 0.00 0.00 175.22 173.83 2jqj s ILE 107 N 0.43 1.73 -1.64 0.64 1.10 -0.23 -0.29 121.20 122.94 2jqj s ILE 107 Ca -0.12 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.11 2jqj s ILE 107 Cb -0.16 -1.46 0.00 0.00 0.15 0.00 0.00 42.46 40.98 2jqj s ILE 107 CO 0.06 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.97 2jqj n ASN 108 N 2.84 -5.49 -0.20 4.50 5.03 0.21 -1.34 115.26 120.80 2jqj n ASN 108 Ca -0.17 -0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.25 2jqj n ASN 108 Cb 0.52 -4.54 -0.01 0.00 -1.02 0.00 0.00 39.78 34.73 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 -1.01 0.52 3.13 7.41 0.00 -1.26 -4.96 105.19 109.03 2jqj n GLY 109 Ca -0.23 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.27 1.30 0.40 1.61 0.01 -0.45 -5.14 114.94 110.40 2jqj s ASN 110 Ca 0.00 -0.67 -0.26 0.00 -0.71 0.00 0.00 52.86 51.22 2jqj s ASN 110 Cb 0.00 0.00 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2jqj s ASN 110 CO 0.00 -0.19 1.24 0.00 -1.51 0.00 0.00 177.10 176.64 2jqj s ARG 111 N -2.09 4.04 -0.12 -0.60 3.03 -1.26 -1.06 118.95 120.88 2jqj s ARG 111 Ca -0.02 2.02 -0.24 0.00 2.03 0.00 0.00 55.73 59.51 2jqj s ARG 111 Cb -0.07 -2.75 -0.02 0.00 -1.03 0.00 0.00 34.95 31.07 2jqj s ARG 111 CO 0.01 -0.39 0.77 -1.17 -1.13 0.00 0.00 175.30 173.39 2jqj s LEU 112 N -2.40 4.23 -0.10 -1.89 0.20 -1.24 -4.85 118.68 112.63 2jqj s LEU 112 Ca 0.56 1.17 0.00 0.00 0.69 0.00 0.00 54.13 56.56 2jqj s LEU 112 Cb -0.35 -3.16 -0.07 0.00 -0.43 0.00 0.00 46.19 42.19 2jqj s LEU 112 CO 0.44 -0.27 -0.09 0.55 -0.29 0.00 0.00 176.35 176.69 2jqj n VAL 113 N 4.33 0.59 -1.66 1.68 3.14 -1.26 -5.04 118.33 120.11 2jqj n VAL 113 Ca 0.02 -0.22 -0.30 0.00 -2.96 0.00 0.00 64.34 60.88 2jqj n VAL 113 Cb 0.50 -0.92 0.07 0.00 -1.06 0.00 0.00 33.84 32.42 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2jqj s LYS 114 N -2.20 2.50 -0.02 1.45 2.47 -1.26 -5.00 119.74 117.68 2jqj s LYS 114 Ca -0.14 0.65 0.13 0.00 -1.56 0.00 0.00 55.97 55.05 2jqj s LYS 114 Cb 0.04 -1.96 -0.21 0.00 -1.46 0.00 0.00 37.83 34.23 2jqj s LYS 114 CO 0.23 -1.33 0.72 0.87 0.16 0.00 0.00 175.35 176.00 2jqj h LYS 115 N -0.88 0.00 -3.10 4.03 6.56 -1.96 -3.42 116.57 117.80 2jqj h LYS 115 Ca -0.46 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.51 2jqj h LYS 115 Cb 1.25 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 32.50 2jqj h LYS 115 CO 0.60 0.48 -0.60 -0.51 -2.06 0.00 0.00 179.45 177.36 2jqj s ASP 116 N -6.06 4.57 0.15 0.86 1.01 -1.26 -4.40 116.67 111.53 2jqj s ASP 116 Ca -0.04 -3.66 -0.25 0.00 0.71 0.00 0.00 52.55 49.31 2jqj s ASP 116 Cb 0.08 -1.57 -0.08 0.00 1.01 0.00 0.00 42.92 42.36 2jqj s ASP 116 CO 0.82 -0.12 0.78 -0.47 0.21 0.00 0.00 175.17 176.39 2jqj s TYR 117 N -1.16 3.89 -0.30 4.23 5.04 -1.13 -4.88 117.35 123.05 2jqj s TYR 117 Ca 0.24 1.62 -0.13 0.00 -2.44 0.00 0.00 57.07 56.36 2jqj s TYR 117 Cb -0.08 -2.78 -0.04 0.00 0.35 0.00 0.00 41.96 39.41 2jqj s TYR 117 CO -0.14 0.48 0.27 -1.50 -1.34 0.00 0.00 175.55 173.32 2jqj s ILE 118 N -0.99 5.25 -0.04 3.14 1.10 -1.26 -0.39 121.20 128.01 2jqj s ILE 118 Ca 0.36 0.19 -0.02 0.00 -0.51 0.00 0.00 60.65 60.67 2jqj s ILE 118 Cb -0.23 -3.65 -0.04 0.00 0.15 0.00 0.00 42.46 38.70 2jqj s ILE 118 CO 0.26 0.13 0.10 -0.22 -2.11 0.00 0.00 174.94 173.10 2jqj s LEU 119 N 1.87 4.02 0.43 8.50 0.20 0.28 -5.00 118.68 128.99 2jqj s LEU 119 Ca 0.10 0.24 0.03 0.00 0.69 0.00 0.00 54.13 55.18 2jqj s LEU 119 Cb -0.16 -2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.34 2jqj s LEU 119 CO 0.11 0.31 0.10 -0.54 -0.29 0.00 0.00 176.35 176.03 2jqj s LYS 120 N -1.54 2.00 0.60 1.98 -0.14 -1.26 -2.92 119.74 118.45 2jqj s LYS 120 Ca 0.21 -2.23 -0.20 0.00 -1.36 0.00 0.00 55.97 52.39 2jqj s LYS 120 Cb -0.12 -0.84 -0.03 0.00 -1.68 0.00 0.00 37.83 35.16 2jqj s LYS 120 CO 0.12 -0.45 1.33 0.27 -0.76 0.00 0.00 175.35 175.86 2jqj n ASN 121 N -1.30 2.42 -2.96 2.83 6.94 -1.26 -3.20 115.26 118.73 2jqj n ASN 121 Ca -0.09 0.91 -0.17 0.00 -0.02 0.00 0.00 54.58 55.21 2jqj n ASN 121 Cb 0.65 -1.57 0.07 0.00 -2.36 0.00 0.00 39.78 36.57 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 0.83 -0.23 3.36 4.83 0.00 -0.93 -5.00 105.19 108.06 2jqj n GLY 122 Ca 0.13 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.56 3.92 -0.02 1.61 1.11 -1.17 -5.00 116.67 113.55 2jqj s ASP 123 Ca 0.30 -0.34 -0.26 0.00 0.18 0.00 0.00 52.55 52.42 2jqj s ASP 123 Cb -0.13 -1.53 -0.04 0.00 1.07 0.00 0.00 42.92 42.29 2jqj s ASP 123 CO 0.58 0.18 0.81 -0.13 1.18 0.00 0.00 175.17 177.79 2jqj s ARG 124 N 0.27 4.50 -0.08 8.23 1.81 -1.26 -2.26 118.95 130.14 2jqj s ARG 124 Ca -0.10 1.11 0.02 0.00 -1.72 0.00 0.00 55.73 55.04 2jqj s ARG 124 Cb -0.16 -3.44 0.01 0.00 -0.45 0.00 0.00 34.95 30.92 2jqj s ARG 124 CO 0.06 0.06 -0.14 0.42 -0.68 0.00 0.00 175.30 175.02 2jqj s ILE 125 N 0.73 1.34 -0.13 1.52 1.01 0.70 0.63 121.20 126.99 2jqj s ILE 125 Ca 0.43 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2jqj s ILE 125 Cb -0.19 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.07 2jqj s ILE 125 CO 0.23 0.40 -0.18 -0.69 0.00 0.00 0.00 174.94 174.70 2jqj s VAL 126 N 0.78 1.76 0.04 2.92 1.01 0.60 0.20 120.40 127.71 2jqj s VAL 126 Ca -0.12 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2jqj s VAL 126 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2jqj s VAL 126 CO 0.02 0.49 -0.12 -0.36 0.00 0.00 0.00 175.10 175.13 2jqj s PHE 127 N 1.02 2.72 0.00 5.22 0.40 0.28 -0.75 117.98 126.88 2jqj s PHE 127 Ca -0.04 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2jqj s PHE 127 Cb -0.15 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.88 2jqj s PHE 127 CO -0.04 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.63 2jqj n GLY 128 N 1.34 0.88 0.00 4.36 0.00 -0.41 -2.67 105.19 108.69 2jqj n GLY 128 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 -0.07 1.61 4.81 -1.26 -4.62 118.16 118.63 2jqj n LYS 129 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2jqj n LYS 129 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 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 0.00 1.39 -4.55 3.14 3.41 -1.25 -4.87 113.62 110.89 2jqj n SER 130 Ca 0.00 0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.27 2jqj n SER 130 Cb 0.00 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 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 10.21 2.58 0.03 0.00 1.04 -1.26 0.10 113.70 126.40 2jqj s SER 132 Ca 1.03 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 56.96 2jqj s SER 132 Cb -0.37 -1.16 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 2jqj s SER 132 CO 0.33 0.01 0.04 0.72 0.98 0.00 0.00 173.24 175.32 2jqj s PHE 133 N 1.08 0.25 -0.11 5.02 -0.12 0.13 0.00 117.98 124.23 2jqj s PHE 133 Ca -0.04 -0.56 -0.00 0.00 -0.05 0.00 0.00 56.93 56.28 2jqj s PHE 133 Cb -0.14 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.04 2jqj s PHE 133 CO -0.04 -0.31 -0.10 -1.17 -0.05 0.00 0.00 175.22 173.56 2jqj s LEU 134 N -1.97 2.93 -0.06 -1.99 0.20 -0.22 -0.22 118.68 117.35 2jqj s LEU 134 Ca -0.08 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.54 2jqj s LEU 134 Cb -0.03 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 2jqj s LEU 134 CO -0.04 0.24 0.02 0.12 -0.29 0.00 0.00 176.35 176.40 2jqj s PHE 135 N -0.09 3.18 0.09 5.38 2.19 -0.96 -1.97 117.98 125.80 2jqj s PHE 135 Ca -0.00 0.19 -0.18 0.00 0.33 0.00 0.00 56.93 57.27 2jqj s PHE 135 Cb -0.14 -1.77 0.04 0.00 -1.31 0.00 0.00 43.02 39.85 2jqj s PHE 135 CO 0.03 0.49 0.44 0.21 1.83 0.00 0.00 175.22 178.23 2jqj s LYS 136 N -1.10 1.04 0.13 10.12 2.20 -1.17 -2.18 119.74 128.77 2jqj s LYS 136 Ca 0.15 -0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 55.04 2jqj s LYS 136 Cb -0.11 0.46 -0.07 0.00 -1.51 0.00 0.00 37.83 36.59 2jqj s LYS 136 CO 0.05 -0.39 0.70 0.71 -0.36 0.00 0.00 175.35 176.06 2jqj s TYR 137 N -3.15 3.87 -0.11 4.03 2.02 -1.26 -1.68 117.35 121.07 2jqj s TYR 137 Ca -0.01 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.21 2jqj s TYR 137 Cb 0.00 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.89 2jqj s TYR 137 CO -0.07 0.54 -0.20 0.00 -1.57 0.00 0.00 175.55 174.25 2jqj s ALA 138 N -1.11 2.34 0.17 3.71 0.00 0.49 -4.89 121.76 122.48 2jqj s ALA 138 Ca 0.33 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2jqj s ALA 138 Cb -0.22 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2jqj s ALA 138 CO 0.24 0.29 -0.03 0.45 0.00 0.00 0.00 175.76 176.70 2jqj s SER 139 N 0.31 1.50 0.19 0.00 0.15 -1.26 -4.52 113.70 110.07 2jqj s SER 139 Ca -0.15 -1.13 -0.15 0.00 0.70 0.00 0.00 55.95 55.22 2jqj s SER 139 Cb -0.17 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2jqj s SER 139 CO 0.07 -0.48 0.46 -0.94 1.20 0.00 0.00 173.24 173.55 2jqj s SER 140 N -3.19 -0.17 0.00 5.45 1.04 -1.26 -5.04 113.70 110.53 2jqj s SER 140 Ca 0.22 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2jqj s SER 140 Cb 0.05 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2jqj s SER 140 CO 0.03 -1.02 0.00 -1.20 0.98 0.00 0.00 173.24 172.03 2jqj n SER 141 N -0.31 1.70 -0.02 7.02 7.64 -1.26 -4.97 113.62 123.42 2jqj n SER 141 Ca -0.09 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.74 2jqj n SER 141 Cb 0.62 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 2jqj n SER 141 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jqj n SER 142 N -2.54 1.38 -4.05 6.43 3.41 -1.26 -5.11 113.62 111.89 2jqj n SER 142 Ca 0.00 0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 58.59 2jqj n SER 142 Cb 0.38 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 2jqj n SER 142 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jqj s THR 143 N -2.37 0.53 -0.08 6.66 -4.23 -1.26 -5.06 115.64 109.84 2jqj s THR 143 Ca -0.13 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.52 2jqj s THR 143 Cb 0.02 -2.43 -0.19 0.00 1.34 0.00 0.00 72.50 71.24 2jqj s THR 143 CO 0.19 0.00 0.72 0.47 -0.54 0.00 0.00 174.62 175.46 2jqj n ASP 144 N -1.20 0.85 -3.64 3.99 9.92 -1.26 -4.77 116.55 120.44 2jqj n ASP 144 Ca -0.03 0.39 -0.16 0.00 -0.53 0.00 0.00 54.79 54.46 2jqj n ASP 144 Cb 0.65 0.05 -0.15 0.00 -0.64 0.00 0.00 41.12 41.03 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jqj s ILE 145 N -2.74 -0.31 0.30 0.53 1.09 -1.26 -4.97 121.20 113.85 2jqj s ILE 145 Ca -0.04 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.76 2jqj s ILE 145 Cb 0.08 -0.40 0.00 0.00 -1.06 0.00 0.00 42.46 41.08 2jqj s ILE 145 CO 0.82 0.07 0.00 -0.62 -0.10 0.00 0.00 174.94 175.11 2jqj n GLU 146 N 5.33 0.00 -2.28 2.79 1.02 -1.26 -5.09 120.64 121.15 2jqj n GLU 146 Ca -0.05 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 2jqj n GLU 146 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.89 2jqj n GLU 146 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jqj s ASN 147 N -1.89 6.19 -0.54 1.62 0.01 -1.26 -4.96 114.94 114.12 2jqj s ASN 147 Ca 0.00 0.82 -0.28 0.00 -0.71 0.00 0.00 52.86 52.68 2jqj s ASN 147 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.15 2jqj s ASN 147 CO 0.00 -1.55 1.27 -1.81 -1.51 0.00 0.00 177.10 173.49 2jqj s ASP 148 N 4.52 6.38 0.45 -1.22 1.01 -1.26 -4.99 116.67 121.57 2jqj s ASP 148 Ca 0.63 0.30 0.03 0.00 0.71 0.00 0.00 52.55 54.23 2jqj s ASP 148 Cb -0.15 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 2jqj s ASP 148 CO 0.31 -1.50 0.09 -1.81 0.21 0.00 0.00 175.17 172.48 2jqj s ASP 149 N 3.37 3.27 -0.04 0.27 1.01 -1.26 -5.16 116.67 118.13 2jqj s ASP 149 Ca 0.48 -1.67 0.03 0.00 0.71 0.00 0.00 52.55 52.10 2jqj s ASP 149 Cb -0.09 0.52 0.01 0.00 1.01 0.00 0.00 42.92 44.37 2jqj s ASP 149 CO 0.27 -0.91 -0.10 -1.61 0.21 0.00 0.00 175.17 173.03 2jqj s GLU 150 N -3.76 1.18 -0.14 8.23 8.01 -1.26 -5.03 118.70 125.93 2jqj s GLU 150 Ca 0.17 -0.35 0.04 0.00 0.01 0.00 0.00 54.97 54.85 2jqj s GLU 150 Cb 0.02 -1.07 -0.23 0.00 -4.31 0.00 0.00 34.13 28.54 2jqj s GLU 150 CO 0.11 0.11 0.27 1.63 0.01 0.00 0.00 175.26 177.39 2jqj n LYS 151 N 3.40 0.69 -2.29 1.61 5.02 -1.26 -4.63 118.16 120.70 2jqj n LYS 151 Ca -0.19 0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 2jqj n LYS 151 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2jqj n LYS 151 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2jqj n VAL 152 N -3.20 3.79 -3.55 -0.18 0.24 -1.26 -4.85 118.33 109.32 2jqj n VAL 152 Ca -0.31 -3.75 -0.08 0.00 -2.04 0.00 0.00 64.34 58.16 2jqj n VAL 152 Cb 1.06 -2.44 -0.02 0.00 -1.47 0.00 0.00 33.84 30.97 2jqj n VAL 152 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jqj s SER 153 N 3.84 -0.35 -0.13 -1.34 1.04 -1.26 -5.07 113.70 110.42 2jqj s SER 153 Ca 0.51 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.86 2jqj s SER 153 Cb 0.07 0.44 -0.09 0.00 0.10 0.00 0.00 66.02 66.54 2jqj s SER 153 CO 0.02 -0.73 -0.12 -0.24 0.98 0.00 0.00 173.24 173.15 2jqj n SER 154 N -0.31 2.86 -2.65 7.02 2.88 -1.26 -5.02 113.62 117.14 2jqj n SER 154 Ca -0.09 -0.06 -0.21 0.00 -1.33 0.00 0.00 58.87 57.18 2jqj n SER 154 Cb 0.62 -0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.87 2jqj n SER 154 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jqj n GLU 155 N -2.93 -3.11 -2.82 -1.46 2.13 -1.26 -3.60 120.64 107.59 2jqj n GLU 155 Ca -0.24 0.97 -0.07 0.00 0.66 0.00 0.00 57.16 58.47 2jqj n GLU 155 Cb 0.75 -5.71 0.01 0.00 0.27 0.00 0.00 31.44 26.76 2jqj n GLU 155 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2jqj n SER 156 N -2.21 -7.78 -4.89 4.31 7.64 -1.26 -5.01 113.62 104.43 2jqj n SER 156 Ca -0.19 0.50 -0.29 0.00 1.01 0.00 0.00 58.87 59.91 2jqj n SER 156 Cb 0.66 -5.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.59 2jqj n SER 156 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jqj s ARG 157 N -2.58 3.56 -0.55 1.43 0.52 -1.24 -5.05 118.95 115.05 2jqj s ARG 157 Ca 0.23 0.38 -0.06 0.00 -0.52 0.00 0.00 55.73 55.77 2jqj s ARG 157 Cb -0.07 -2.28 0.14 0.00 0.52 0.00 0.00 34.95 33.27 2jqj s ARG 157 CO 0.75 -0.32 0.39 0.45 0.02 0.00 0.00 175.30 176.58 2jqj s SER 158 N -4.12 5.51 0.00 0.23 0.15 -1.26 -5.21 113.70 109.01 2jqj s SER 158 Ca 0.50 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.75 2jqj s SER 158 Cb -0.11 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2jqj s SER 158 CO 0.48 -0.51 0.00 -1.22 1.20 0.00 0.00 173.24 173.18