#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 0.00 -1.74 1.97 1.74 -1.26 -5.06 116.66 112.31 2jqj n ARG 20 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2jqj n ARG 20 Cb 0.00 -0.38 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 2jqj n ARG 20 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jqj s GLN 21 N -1.82 4.12 0.33 5.56 1.11 -1.26 -4.97 119.66 122.74 2jqj s GLN 21 Ca 0.00 2.61 -0.18 0.00 0.01 0.00 0.00 55.36 57.80 2jqj s GLN 21 Cb 0.00 -3.06 0.04 0.00 -1.01 0.00 0.00 33.01 28.98 2jqj s GLN 21 CO 0.00 -0.73 0.78 -1.14 0.01 0.00 0.00 175.29 174.21 2jqj s GLN 22 N 0.77 2.02 0.43 2.91 2.00 -1.26 -5.19 119.66 121.34 2jqj s GLN 22 Ca 0.72 -1.24 0.04 0.00 -2.00 0.00 0.00 55.36 52.88 2jqj s GLN 22 Cb -0.49 0.60 -0.01 0.00 0.80 0.00 0.00 33.01 33.91 2jqj s GLN 22 CO 0.36 -0.94 0.13 0.54 -0.50 0.00 0.00 175.29 174.88 2jqj n ARG 23 N -0.51 0.59 -3.12 1.67 1.74 -1.26 -5.18 116.66 110.59 2jqj n ARG 23 Ca -0.07 -3.60 -0.19 0.00 -0.77 0.00 0.00 57.85 53.23 2jqj n ARG 23 Cb 0.60 1.83 0.01 0.00 -1.02 0.00 0.00 32.46 33.87 2jqj n ARG 23 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jqj n SER 24 N -1.48 2.21 -0.01 0.55 2.88 -1.26 -5.05 113.62 111.45 2jqj n SER 24 Ca -0.08 -2.36 -0.17 0.00 -1.33 0.00 0.00 58.87 54.93 2jqj n SER 24 Cb 0.64 -0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 2jqj n SER 24 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jqj h ASN 25 N 0.44 0.61 -3.56 -3.46 2.35 -2.10 -3.44 115.58 106.42 2jqj h ASN 25 Ca -0.25 -0.71 -0.52 0.00 -0.55 0.00 0.00 56.30 54.28 2jqj h ASN 25 Cb 0.93 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 2jqj h ASN 25 CO 0.39 1.23 0.36 -0.75 -1.65 0.00 0.00 177.43 177.01 2jqj s LYS 26 N -3.43 4.69 0.66 0.81 2.20 -1.26 -5.04 119.74 118.38 2jqj s LYS 26 Ca -0.13 1.45 -0.15 0.00 -0.36 0.00 0.00 55.97 56.79 2jqj s LYS 26 Cb 0.05 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2jqj s LYS 26 CO 0.83 0.20 1.11 -1.25 -0.36 0.00 0.00 175.35 175.88 2jqj s PRO 27 N 0.06 2.82 0.04 4.03 0.04 -1.26 -4.99 135.00 135.74 2jqj s PRO 27 Ca 0.47 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2jqj s PRO 27 Cb -0.23 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2jqj s PRO 27 CO 0.30 -1.23 0.00 0.43 0.04 0.00 0.00 177.00 176.53 2jqj n SER 28 N -2.42 -0.00 -2.35 6.66 7.64 -1.26 -5.15 113.62 116.74 2jqj n SER 28 Ca 0.10 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2jqj n SER 28 Cb 0.52 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2jqj n SER 28 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jqj n SER 29 N -2.66 -9.68 -4.77 6.43 2.88 -1.26 -4.98 113.62 99.59 2jqj n SER 29 Ca 0.00 1.87 -0.30 0.00 -1.33 0.00 0.00 58.87 59.11 2jqj n SER 29 Cb 0.00 -5.27 0.12 0.00 -0.75 0.00 0.00 64.21 58.31 2jqj n SER 29 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jqj s GLU 30 N -0.61 1.52 0.00 -1.46 2.56 -1.26 -5.06 118.70 114.38 2jqj s GLU 30 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.57 2jqj s GLU 30 Cb 0.00 -1.86 0.00 0.00 2.00 0.00 0.00 34.13 34.27 2jqj s GLU 30 CO 0.00 -2.01 0.00 0.66 -0.56 0.00 0.00 175.26 173.35 2jqj n TYR 31 N -3.69 0.00 -3.91 5.30 4.02 -1.26 -5.04 117.16 112.57 2jqj n TYR 31 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.85 2jqj n TYR 31 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.05 0.47 -0.72 -4.23 -1.26 -5.00 115.64 104.95 2jqj s THR 32 Ca 0.00 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 59.83 2jqj s THR 32 Cb 0.00 -0.16 -0.07 0.00 1.34 0.00 0.00 72.50 73.61 2jqj s THR 32 CO 0.00 -0.24 1.30 0.00 -0.54 0.00 0.00 174.62 175.13 2jqj n LEU 34 N -0.43 0.00 -3.94 0.00 7.94 -1.13 -4.77 117.00 114.68 2jqj n LEU 34 Ca 0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.88 2jqj n LEU 34 Cb 0.45 0.24 -0.04 0.00 0.53 0.00 0.00 43.42 44.60 2jqj n LEU 34 CO 0.53 -0.32 0.28 -0.83 -1.11 0.00 0.00 177.39 175.94 2jqj s GLY 35 N -2.25 0.30 0.20 -3.96 0.00 -0.99 -2.07 107.32 98.55 2jqj s GLY 35 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.10 2jqj s GLY 35 CO 0.00 -0.43 -0.04 0.30 0.00 0.00 0.00 173.10 172.93 2jqj s HIS 36 N -3.98 1.44 -0.22 1.90 3.76 -0.69 0.11 115.29 117.62 2jqj s HIS 36 Ca 0.18 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 2jqj s HIS 36 Cb -0.02 -0.80 0.06 0.00 1.11 0.00 0.00 32.58 32.92 2jqj s HIS 36 CO 0.08 -0.01 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.40 2jqj s LEU 37 N -3.25 2.25 -0.25 0.89 1.43 0.97 -2.98 118.68 117.75 2jqj s LEU 37 Ca 0.24 -1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 2jqj s LEU 37 Cb 0.05 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2jqj s LEU 37 CO 0.06 -0.23 0.35 -0.69 0.23 0.00 0.00 176.35 176.07 2jqj s VAL 38 N 1.48 5.20 -0.24 -1.59 1.01 -0.75 -0.39 120.40 125.13 2jqj s VAL 38 Ca -0.04 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 2jqj s VAL 38 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2jqj s VAL 38 CO -0.07 0.20 0.65 0.20 0.00 0.00 0.00 175.10 176.08 2jqj s ASN 39 N 1.43 6.63 -0.55 3.32 0.01 0.15 -0.46 114.94 125.45 2jqj s ASN 39 Ca 0.15 0.77 -0.28 0.00 -0.71 0.00 0.00 52.86 52.78 2jqj s ASN 39 Cb -0.15 -2.35 0.03 0.00 0.41 0.00 0.00 41.25 39.19 2jqj s ASN 39 CO 0.09 -0.36 1.20 -0.76 -1.51 0.00 0.00 177.10 175.76 2jqj s LEU 40 N 2.38 3.49 -0.03 0.60 1.02 0.18 -3.04 118.68 123.28 2jqj s LEU 40 Ca 0.27 0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.70 2jqj s LEU 40 Cb -0.16 -3.26 -0.01 0.00 0.02 0.00 0.00 46.19 42.78 2jqj s LEU 40 CO 0.09 -1.44 -0.20 -0.63 0.02 0.00 0.00 176.35 174.18 2jqj s ILE 41 N 4.91 1.64 0.57 -0.59 1.01 -1.26 -4.59 121.20 122.90 2jqj s ILE 41 Ca 0.45 -0.87 0.33 0.00 0.00 0.00 0.00 60.65 60.55 2jqj s ILE 41 Cb -0.08 -1.38 0.47 0.00 0.01 0.00 0.00 42.46 41.49 2jqj s ILE 41 CO 0.27 0.46 1.72 -0.65 0.00 0.00 0.00 174.94 176.75 2jqj h PRO 42 N 5.82 0.00 0.00 2.79 0.11 -2.02 -3.41 132.00 135.29 2jqj h PRO 42 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jqj h PRO 42 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jqj h PRO 42 CO 0.48 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 2jqj n GLY 43 N -1.67 2.65 3.52 -0.55 0.00 -1.26 -5.01 105.19 102.87 2jqj n GLY 43 Ca 0.20 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 0.78 -0.80 1.61 5.02 -1.26 -4.91 118.16 118.60 2jqj n LYS 44 Ca 0.00 0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2jqj n LYS 44 Cb 0.00 -2.76 0.23 0.00 -0.02 0.00 0.00 35.03 32.48 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jqj s GLU 45 N 8.15 -0.89 -0.04 1.97 2.02 -1.26 -4.81 118.70 123.83 2jqj s GLU 45 Ca 1.11 0.47 0.01 0.00 0.02 0.00 0.00 54.97 56.58 2jqj s GLU 45 Cb -0.58 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.08 2jqj s GLU 45 CO 0.36 -3.61 -0.06 -0.65 0.02 0.00 0.00 175.26 171.32 2jqj s GLN 46 N -4.85 0.92 -0.16 1.61 -0.21 -1.17 -5.01 119.66 110.80 2jqj s GLN 46 Ca 0.68 -0.17 -0.01 0.00 0.02 0.00 0.00 55.36 55.88 2jqj s GLN 46 Cb -0.19 -0.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.93 2jqj s GLN 46 CO 0.60 -0.03 -0.10 0.21 -2.12 0.00 0.00 175.29 173.85 2jqj s LYS 47 N 0.73 3.41 0.14 2.91 2.20 -1.26 0.30 119.74 128.17 2jqj s LYS 47 Ca -0.10 -0.65 0.11 0.00 -0.36 0.00 0.00 55.97 54.96 2jqj s LYS 47 Cb -0.13 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 2jqj s LYS 47 CO 0.01 0.11 -0.26 0.08 -0.36 0.00 0.00 175.35 174.93 2jqj s VAL 48 N 0.64 2.29 -0.12 4.02 1.01 0.47 -4.98 120.40 123.74 2jqj s VAL 48 Ca -0.06 -1.82 -0.05 0.00 0.00 0.00 0.00 61.98 60.05 2jqj s VAL 48 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2jqj s VAL 48 CO 0.03 0.04 0.07 -0.70 0.00 0.00 0.00 175.10 174.54 2jqj s GLU 49 N -2.20 3.36 -0.15 2.72 2.12 -1.26 -0.02 118.70 123.26 2jqj s GLU 49 Ca 0.16 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2jqj s GLU 49 Cb -0.10 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 2jqj s GLU 49 CO 0.07 0.66 -0.15 0.42 -0.54 0.00 0.00 175.26 175.71 2jqj s ILE 50 N -0.72 2.71 0.42 -3.70 -1.09 0.30 -4.86 121.20 114.26 2jqj s ILE 50 Ca 0.12 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 57.84 2jqj s ILE 50 Cb -0.12 -2.14 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 2jqj s ILE 50 CO 0.03 0.52 0.58 0.42 -1.23 0.00 0.00 174.94 175.26 2jqj s THR 51 N 0.69 3.34 -1.06 2.92 -4.23 -1.26 -2.34 115.64 113.70 2jqj s THR 51 Ca -0.07 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 2jqj s THR 51 Cb -0.16 -3.16 0.31 0.00 1.34 0.00 0.00 72.50 70.84 2jqj s THR 51 CO 0.02 -0.07 1.59 -0.46 -0.54 0.00 0.00 174.62 175.15 2jqj n ASN 52 N -1.89 6.71 -1.81 3.99 0.23 -0.85 -4.73 115.26 116.92 2jqj n ASN 52 Ca 0.05 -3.51 0.02 0.00 -0.53 0.00 0.00 54.58 50.61 2jqj n ASN 52 Cb 0.59 -1.23 0.33 0.00 -2.08 0.00 0.00 39.78 37.39 2jqj n ASN 52 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2jqj n ARG 53 N 0.86 4.11 0.00 -3.83 1.85 -1.26 -4.81 116.66 113.58 2jqj n ARG 53 Ca 0.33 -2.79 0.00 0.00 -1.00 0.00 0.00 57.85 54.38 2jqj n ARG 53 Cb 0.31 -2.17 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 2jqj n ARG 53 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2jqj n ASN 54 N 0.31 0.00 -3.92 2.89 2.85 -0.84 -4.82 115.26 111.72 2jqj n ASN 54 Ca 0.29 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.62 2jqj n ASN 54 Cb 1.17 -0.06 -0.14 0.00 1.24 0.00 0.00 39.78 41.99 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jqj s VAL 55 N -0.09 0.27 -0.09 3.44 1.01 -1.26 -2.21 120.40 121.47 2jqj s VAL 55 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2jqj s VAL 55 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.15 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 -0.01 1.50 -0.11 3.92 2.01 0.50 -4.85 115.64 118.60 2jqj s THR 56 Ca 0.01 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2jqj s THR 56 Cb -0.02 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2jqj s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jqj s THR 57 N 0.73 4.82 -0.05 -0.82 -4.23 -1.26 -0.57 115.64 114.26 2jqj s THR 57 Ca -0.12 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 2jqj s THR 57 Cb -0.16 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jqj s THR 57 CO 0.03 0.60 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.00 2jqj s ILE 58 N -0.81 0.76 -2.87 2.99 1.01 -0.84 0.20 121.20 121.64 2jqj s ILE 58 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2jqj s ILE 58 Cb -0.12 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2jqj s ILE 58 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2jqj n GLY 59 N 3.80 -0.55 0.12 6.18 0.00 -1.00 -2.82 105.19 110.92 2jqj n GLY 59 Ca -0.23 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 0.19 -6.22 1.61 2.43 -1.70 -2.99 114.38 107.69 2jqj h ARG 60 Ca 0.00 -0.32 -0.69 0.00 -0.81 0.00 0.00 59.98 58.17 2jqj h ARG 60 Cb 0.00 0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2jqj h ARG 60 CO 0.00 1.15 0.89 0.45 -1.51 0.00 0.00 179.97 180.95 2jqj n SER 61 N -3.97 2.63 0.34 -3.80 2.88 -1.26 -4.81 113.62 105.63 2jqj n SER 61 Ca -0.28 1.05 0.22 0.00 -1.33 0.00 0.00 58.87 58.54 2jqj n SER 61 Cb 0.87 -1.23 1.19 0.00 -0.75 0.00 0.00 64.21 64.29 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 7.32 0.00 0.00 -1.46 2.47 -1.99 -0.37 114.38 120.36 2jqj h ARG 62 Ca -0.47 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.17 2jqj h ARG 62 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 2jqj h ARG 62 CO 0.93 0.00 -0.36 0.77 0.56 0.00 0.00 179.97 181.87 2jqj h SER 63 N 0.00 0.00 -3.33 7.04 0.02 -1.99 -3.45 113.55 111.85 2jqj h SER 63 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2jqj h SER 63 Cb 0.02 0.00 0.22 0.00 0.14 0.00 0.00 62.40 62.78 2jqj h SER 63 CO 0.00 0.36 -0.33 0.00 -1.14 0.00 0.00 176.83 175.72 2jqj h ASP 65 N -2.08 -0.22 -3.30 0.00 5.19 0.19 -3.44 116.42 112.76 2jqj h ASP 65 Ca -0.51 -0.24 -0.59 0.00 -0.62 0.00 0.00 57.03 55.08 2jqj h ASP 65 Cb 1.31 0.06 -0.34 0.00 0.18 0.00 0.00 39.33 40.54 2jqj h ASP 65 CO 0.41 0.14 -0.84 -0.69 -3.12 0.00 0.00 179.24 175.14 2jqj s VAL 66 N -4.71 1.51 -0.28 -1.35 1.01 0.11 -4.93 120.40 111.77 2jqj s VAL 66 Ca -0.15 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2jqj s VAL 66 Cb 0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2jqj s VAL 66 CO 0.59 0.44 0.30 -0.63 0.00 0.00 0.00 175.10 175.80 2jqj s ILE 67 N 0.85 5.23 0.00 2.22 1.09 -1.26 -2.37 121.20 126.95 2jqj s ILE 67 Ca -0.10 0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.83 2jqj s ILE 67 Cb -0.15 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 2jqj s ILE 67 CO 0.01 0.18 0.00 0.18 -0.10 0.00 0.00 174.94 175.21 2jqj n LEU 68 N 5.23 0.85 0.00 2.97 4.77 -1.13 -4.97 117.00 124.71 2jqj n LEU 68 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2jqj n LEU 68 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2jqj n LEU 68 CO 0.36 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.22 2jqj n SER 69 N -0.23 0.00 0.00 -1.43 7.64 -1.26 -5.10 113.62 113.24 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jqj n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqj n GLU 70 N 0.00 0.00 -0.36 1.43 -0.58 -1.26 -4.86 120.64 115.00 2jqj n GLU 70 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2jqj n GLU 70 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 30.97 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2jqj h PRO 71 N 0.00 1.29 -0.17 3.49 0.11 -2.00 -3.02 132.00 131.71 2jqj h PRO 71 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2jqj h PRO 71 Cb 0.00 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 30.82 2jqj h PRO 71 CO 0.00 0.87 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 2jqj n ASP 72 N -4.38 2.68 -4.66 -2.05 8.00 -1.26 -4.99 116.55 109.88 2jqj n ASP 72 Ca 0.11 -2.29 -0.35 0.00 0.71 0.00 0.00 54.79 52.98 2jqj n ASP 72 Cb 0.03 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.51 4.67 -0.17 0.53 1.10 -1.14 -5.03 121.20 119.65 2jqj s ILE 73 Ca 0.19 -0.09 -0.11 0.00 -0.51 0.00 0.00 60.65 60.14 2jqj s ILE 73 Cb 0.13 -3.06 -0.05 0.00 0.15 0.00 0.00 42.46 39.63 2jqj s ILE 73 CO 0.08 0.51 0.18 -0.94 -2.11 0.00 0.00 174.94 172.66 2jqj s SER 74 N -0.07 6.31 0.53 4.50 1.04 -1.26 -4.06 113.70 120.69 2jqj s SER 74 Ca 0.06 0.36 0.27 0.00 0.48 0.00 0.00 55.95 57.12 2jqj s SER 74 Cb -0.12 -2.12 1.41 0.00 0.10 0.00 0.00 66.02 65.29 2jqj s SER 74 CO 0.01 0.20 1.96 0.74 0.98 0.00 0.00 173.24 177.13 2jqj h THR 75 N 4.55 0.68 -0.47 2.02 2.02 -1.87 0.43 112.91 120.26 2jqj h THR 75 Ca -0.43 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2jqj h THR 75 Cb 1.17 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2jqj h THR 75 CO 0.73 0.00 0.00 0.49 0.37 0.00 0.00 175.52 177.11 2jqj n PHE 76 N -4.35 1.01 -0.10 3.16 3.72 -1.26 -4.26 117.46 115.39 2jqj n PHE 76 Ca 0.13 -0.41 -0.03 0.00 -0.05 0.00 0.00 57.45 57.09 2jqj n PHE 76 Cb 0.72 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.78 -0.11 -3.57 1.38 -0.00 0.15 -4.52 115.22 109.34 2jqj n HIS 77 Ca 0.18 0.30 -0.10 0.00 0.46 0.00 0.00 57.72 58.57 2jqj n HIS 77 Cb 0.64 -0.43 -0.02 0.00 -0.12 0.00 0.00 29.99 30.06 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 -1.55 -0.04 1.57 0.00 -1.16 -3.84 121.76 112.47 2jqj s ALA 78 Ca -0.03 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.31 2jqj s ALA 78 Cb 0.03 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2jqj s ALA 78 CO 0.15 -0.85 -0.12 -1.21 0.00 0.00 0.00 175.76 173.73 2jqj s GLU 79 N -3.66 1.34 -0.09 0.00 2.02 -0.66 -1.98 118.70 115.66 2jqj s GLU 79 Ca 0.05 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.65 2jqj s GLU 79 Cb -0.02 -1.20 -0.00 0.00 0.10 0.00 0.00 34.13 33.01 2jqj s GLU 79 CO -0.06 0.16 -0.23 -0.06 0.02 0.00 0.00 175.26 175.09 2jqj s PHE 80 N 0.17 2.56 -0.32 1.61 0.40 0.26 -1.82 117.98 120.84 2jqj s PHE 80 Ca -0.04 -0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 55.20 2jqj s PHE 80 Cb -0.10 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 2jqj s PHE 80 CO 0.01 -0.34 0.45 -1.01 0.70 0.00 0.00 175.22 175.04 2jqj s HIS 81 N 0.20 3.21 -0.36 0.36 3.76 -1.01 0.19 115.29 121.64 2jqj s HIS 81 Ca -0.14 0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.90 2jqj s HIS 81 Cb -0.17 -2.78 0.03 0.00 1.11 0.00 0.00 32.58 30.77 2jqj s HIS 81 CO 0.07 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.53 2jqj s LEU 82 N 2.24 4.58 -0.03 0.89 2.96 -0.94 -1.99 118.68 126.40 2jqj s LEU 82 Ca 0.17 -1.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.08 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jqj s LEU 82 CO 0.12 -0.37 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.33 2jqj s LEU 83 N 1.49 2.22 -0.18 -0.68 2.96 -1.08 -1.99 118.68 121.42 2jqj s LEU 83 Ca 0.01 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 2jqj s LEU 83 Cb -0.19 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2jqj s LEU 83 CO 0.05 0.33 0.12 -1.58 -1.32 0.00 0.00 176.35 173.95 2jqj s GLN 84 N -0.65 4.02 -0.13 1.98 -0.44 -1.26 -3.06 119.66 120.11 2jqj s GLN 84 Ca 0.10 -0.22 -0.01 0.00 -2.50 0.00 0.00 55.36 52.74 2jqj s GLN 84 Cb -0.10 -3.35 -0.02 0.00 -1.64 0.00 0.00 33.01 27.90 2jqj s GLN 84 CO -0.01 0.39 -0.12 1.41 0.50 0.00 0.00 175.29 177.47 2jqj s MET 85 N 0.08 3.42 -0.14 1.67 -2.45 -0.31 -5.04 119.30 116.54 2jqj s MET 85 Ca 0.09 -0.66 -0.15 0.00 -1.25 0.00 0.00 55.69 53.72 2jqj s MET 85 Cb -0.11 -2.67 -0.05 0.00 1.25 0.00 0.00 34.83 33.25 2jqj s MET 85 CO -0.01 0.22 0.34 0.16 1.05 0.00 0.00 175.02 176.79 2jqj s ASP 86 N 0.34 6.51 -0.00 1.11 -4.77 -1.26 -2.06 116.67 116.53 2jqj s ASP 86 Ca -0.10 0.60 -0.00 0.00 -3.30 0.00 0.00 52.55 49.75 2jqj s ASP 86 Cb -0.16 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2jqj s ASP 86 CO 0.05 0.09 0.01 -0.69 0.70 0.00 0.00 175.17 175.33 2jqj s VAL 87 N 0.40 -0.01 -0.78 2.11 1.01 -1.21 -4.97 120.40 116.95 2jqj s VAL 87 Ca 0.19 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 2jqj s VAL 87 Cb -0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 36.38 36.09 2jqj s VAL 87 CO 0.06 0.01 1.95 0.47 0.00 0.00 0.00 175.10 177.59 2jqj n ASP 88 N 3.21 3.03 0.00 3.32 9.92 -1.26 -2.91 116.55 131.86 2jqj n ASP 88 Ca -0.14 -2.58 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 2jqj n ASP 88 Cb 0.59 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 2jqj n ASP 88 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jqj n ASN 89 N 6.65 0.00 -3.75 -2.24 5.15 -1.26 -5.16 115.26 114.65 2jqj n ASN 89 Ca 0.47 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.36 2jqj n ASN 89 Cb 0.33 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.54 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jqj s PHE 90 N 0.00 0.38 -0.17 1.20 0.08 -1.15 -5.15 117.98 113.18 2jqj s PHE 90 Ca 0.00 -0.77 -0.15 0.00 0.12 0.00 0.00 56.93 56.13 2jqj s PHE 90 Cb 0.00 0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.68 2jqj s PHE 90 CO 0.00 -1.11 0.36 -0.65 -0.10 0.00 0.00 175.22 173.73 2jqj s GLN 91 N -3.68 4.23 -0.23 0.44 -0.21 -1.26 -3.31 119.66 115.64 2jqj s GLN 91 Ca 0.22 0.19 -0.10 0.00 0.02 0.00 0.00 55.36 55.69 2jqj s GLN 91 Cb -0.02 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 2jqj s GLN 91 CO 0.11 0.10 0.14 1.03 -2.12 0.00 0.00 175.29 174.55 2jqj s ARG 92 N 0.86 4.02 -0.18 2.91 0.52 -0.87 -5.01 118.95 121.20 2jqj s ARG 92 Ca 0.19 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2jqj s ARG 92 Cb -0.14 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2jqj s ARG 92 CO 0.07 0.07 -0.08 -0.80 0.02 0.00 0.00 175.30 174.58 2jqj s ASN 93 N 0.99 4.20 -0.10 0.23 -0.87 -1.26 -1.16 114.94 116.97 2jqj s ASN 93 Ca 0.07 -0.35 0.03 0.00 -1.57 0.00 0.00 52.86 51.04 2jqj s ASN 93 Cb -0.13 -1.68 0.01 0.00 -0.02 0.00 0.00 41.25 39.42 2jqj s ASN 93 CO 0.04 0.08 -0.20 -0.22 -2.57 0.00 0.00 177.10 174.22 2jqj s LEU 94 N 0.89 1.96 -0.00 0.60 2.96 -1.17 -4.88 118.68 119.03 2jqj s LEU 94 Ca -0.02 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.47 2jqj s LEU 94 Cb -0.15 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2jqj s LEU 94 CO 0.00 0.11 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.29 2jqj s ILE 95 N 0.50 1.77 0.02 6.68 1.09 -1.15 -2.65 121.20 127.47 2jqj s ILE 95 Ca -0.16 -1.02 0.07 0.00 -1.10 0.00 0.00 60.65 58.44 2jqj s ILE 95 Cb -0.17 -1.48 -0.03 0.00 -1.06 0.00 0.00 42.46 39.72 2jqj s ILE 95 CO 0.06 0.44 -0.19 0.21 -0.10 0.00 0.00 174.94 175.37 2jqj s ASN 96 N -0.67 3.72 -0.18 3.58 2.47 -0.84 0.11 114.94 123.12 2jqj s ASN 96 Ca 0.09 -0.41 -0.03 0.00 0.42 0.00 0.00 52.86 52.93 2jqj s ASN 96 Cb -0.09 -0.59 -0.01 0.00 -1.45 0.00 0.00 41.25 39.11 2jqj s ASN 96 CO -0.00 0.27 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.89 2jqj s VAL 97 N -0.87 3.35 -0.09 -5.21 1.01 0.07 -2.40 120.40 116.27 2jqj s VAL 97 Ca 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2jqj s VAL 97 Cb -0.10 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2jqj s VAL 97 CO 0.04 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.89 2jqj s ILE 98 N 0.95 0.99 -0.15 2.22 1.01 -0.75 -2.93 121.20 122.54 2jqj s ILE 98 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2jqj s ILE 98 Cb -0.15 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2jqj s ILE 98 CO 0.00 0.34 -0.12 -1.81 0.00 0.00 0.00 174.94 173.36 2jqj s ASP 99 N 1.23 4.02 0.00 3.58 1.01 -1.26 -1.66 116.67 123.58 2jqj s ASP 99 Ca -0.04 -0.35 0.28 0.00 0.71 0.00 0.00 52.55 53.14 2jqj s ASP 99 Cb -0.14 -1.63 1.05 0.00 1.01 0.00 0.00 42.92 43.21 2jqj s ASP 99 CO -0.03 0.13 1.77 0.29 0.21 0.00 0.00 175.17 177.54 2jqj n LYS 100 N 3.79 0.33 -2.58 8.23 4.76 -1.25 -4.99 118.16 126.45 2jqj n LYS 100 Ca -0.18 -0.11 -0.06 0.00 -2.87 0.00 0.00 58.31 55.09 2jqj n LYS 100 Cb 0.52 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.22 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jqj n SER 101 N -1.23 -6.69 -0.02 4.39 7.64 -1.26 -5.01 113.62 111.43 2jqj n SER 101 Ca 0.10 0.38 -0.03 0.00 1.01 0.00 0.00 58.87 60.33 2jqj n SER 101 Cb 0.31 -4.46 -0.02 0.00 -1.01 0.00 0.00 64.21 59.02 2jqj n SER 101 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jqj n ARG 102 N -0.47 0.13 0.00 1.43 3.00 -1.26 -4.95 116.66 114.54 2jqj n ARG 102 Ca 0.09 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2jqj n ARG 102 Cb 0.38 -1.09 0.00 0.00 0.00 0.00 0.00 32.46 31.74 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jqj n ASN 103 N -2.63 0.54 0.00 6.15 4.13 -1.26 -5.12 115.26 117.07 2jqj n ASN 103 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2jqj n ASN 103 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 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 2.08 2.00 3.40 7.41 0.00 -1.26 -5.00 105.19 113.81 2jqj n GLY 104 Ca 0.00 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 3.16 -0.22 2.61 2.01 -1.26 -0.97 115.64 120.97 2jqj s THR 105 Ca 0.00 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 2jqj s THR 105 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.21 2jqj s THR 105 CO 0.00 0.53 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.99 2jqj s PHE 106 N 0.17 2.95 -0.08 4.92 0.40 0.10 -4.17 117.98 122.28 2jqj s PHE 106 Ca -0.07 -1.50 0.01 0.00 -0.60 0.00 0.00 56.93 54.78 2jqj s PHE 106 Cb -0.15 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 2jqj s PHE 106 CO 0.05 -0.73 -0.11 -1.50 0.70 0.00 0.00 175.22 173.63 2jqj s ILE 107 N 1.33 3.34 -1.70 0.64 1.10 -0.76 0.60 121.20 125.75 2jqj s ILE 107 Ca 0.03 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.56 2jqj s ILE 107 Cb -0.15 -2.36 0.00 0.00 0.15 0.00 0.00 42.46 40.10 2jqj s ILE 107 CO -0.07 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.92 2jqj n ASN 108 N 2.60 -5.39 -0.01 4.50 5.03 0.48 -1.38 115.26 121.09 2jqj n ASN 108 Ca -0.18 0.09 -0.00 0.00 0.87 0.00 0.00 54.58 55.37 2jqj n ASN 108 Cb 0.53 -4.46 -0.00 0.00 -1.02 0.00 0.00 39.78 34.82 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 -0.94 0.31 3.12 7.41 0.00 -1.26 -4.99 105.19 108.84 2jqj n GLY 109 Ca -0.21 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.02 1.20 0.10 1.61 0.01 -0.48 -5.12 114.94 110.23 2jqj s ASN 110 Ca 0.00 -0.63 -0.31 0.00 -0.71 0.00 0.00 52.86 51.21 2jqj s ASN 110 Cb 0.00 0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.60 2jqj s ASN 110 CO 0.00 -0.19 1.33 -0.60 -1.51 0.00 0.00 177.10 176.13 2jqj s ARG 111 N -1.93 4.35 0.29 -0.60 3.00 -1.26 -1.82 118.95 120.98 2jqj s ARG 111 Ca -0.04 1.99 -0.29 0.00 -1.00 0.00 0.00 55.73 56.38 2jqj s ARG 111 Cb -0.08 -3.28 -0.10 0.00 0.00 0.00 0.00 34.95 31.49 2jqj s ARG 111 CO 0.01 -0.38 1.22 -1.17 0.00 0.00 0.00 175.30 174.98 2jqj s LEU 112 N 1.09 4.48 0.00 -0.88 0.20 -1.26 -4.93 118.68 117.37 2jqj s LEU 112 Ca 0.63 2.49 0.00 0.00 0.69 0.00 0.00 54.13 57.93 2jqj s LEU 112 Cb -0.35 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 41.78 2jqj s LEU 112 CO 0.30 -0.38 0.00 0.55 -0.29 0.00 0.00 176.35 176.53 2jqj n VAL 113 N 1.18 0.00 -2.21 1.68 3.14 -1.26 -5.08 118.33 115.79 2jqj n VAL 113 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 2jqj n VAL 113 Cb 0.43 -0.89 0.05 0.00 -1.06 0.00 0.00 33.84 32.37 2jqj n VAL 113 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2jqj s LYS 114 N -1.95 2.52 -0.32 1.45 -2.85 -1.26 -5.00 119.74 112.33 2jqj s LYS 114 Ca 0.00 -0.05 0.08 0.00 -1.00 0.00 0.00 55.97 55.01 2jqj s LYS 114 Cb 0.00 -2.17 0.56 0.00 -2.06 0.00 0.00 37.83 34.16 2jqj s LYS 114 CO 0.00 -1.05 1.59 1.17 0.10 0.00 0.00 175.35 177.16 2jqj n LYS 115 N -2.84 2.16 -2.77 1.78 4.81 -1.26 -4.63 118.16 115.41 2jqj n LYS 115 Ca 0.07 -3.11 -0.09 0.00 -0.87 0.00 0.00 58.31 54.30 2jqj n LYS 115 Cb 0.59 -1.93 0.07 0.00 0.02 0.00 0.00 35.03 33.78 2jqj n LYS 115 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jqj n ASP 116 N -1.01 -2.27 -4.77 3.14 8.00 -1.26 -4.86 116.55 113.51 2jqj n ASP 116 Ca 0.39 -3.57 -0.39 0.00 0.71 0.00 0.00 54.79 51.93 2jqj n ASP 116 Cb 1.20 1.74 -0.06 0.00 -0.02 0.00 0.00 41.12 43.98 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jqj s TYR 117 N 0.20 3.88 -0.27 1.24 5.04 -1.15 -4.93 117.35 121.37 2jqj s TYR 117 Ca 0.25 1.62 -0.12 0.00 -2.44 0.00 0.00 57.07 56.38 2jqj s TYR 117 Cb 0.28 -2.78 -0.05 0.00 0.35 0.00 0.00 41.96 39.76 2jqj s TYR 117 CO -0.10 0.48 0.25 -1.50 -1.34 0.00 0.00 175.55 173.34 2jqj s ILE 118 N -0.97 5.26 -0.07 3.14 1.10 -1.26 -0.75 121.20 127.66 2jqj s ILE 118 Ca 0.36 0.31 -0.03 0.00 -0.51 0.00 0.00 60.65 60.78 2jqj s ILE 118 Cb -0.23 -3.59 -0.04 0.00 0.15 0.00 0.00 42.46 38.76 2jqj s ILE 118 CO 0.26 0.22 0.09 -0.22 -2.11 0.00 0.00 174.94 173.18 2jqj s LEU 119 N 1.85 4.03 0.41 8.50 0.20 0.29 -4.96 118.68 129.01 2jqj s LEU 119 Ca 0.10 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.23 2jqj s LEU 119 Cb -0.16 -2.12 -0.02 0.00 -0.43 0.00 0.00 46.19 43.46 2jqj s LEU 119 CO 0.10 0.35 0.13 -0.54 -0.29 0.00 0.00 176.35 176.10 2jqj s LYS 120 N -1.29 1.94 0.47 1.98 -0.14 -1.26 -2.91 119.74 118.53 2jqj s LYS 120 Ca 0.18 -2.19 -0.24 0.00 -1.36 0.00 0.00 55.97 52.37 2jqj s LYS 120 Cb -0.12 -0.63 -0.08 0.00 -1.68 0.00 0.00 37.83 35.32 2jqj s LYS 120 CO 0.08 -0.48 1.20 0.27 -0.76 0.00 0.00 175.35 175.65 2jqj n ASN 121 N -1.32 2.09 -2.75 2.83 0.23 -1.26 -3.02 115.26 112.06 2jqj n ASN 121 Ca -0.06 1.03 -0.15 0.00 -0.53 0.00 0.00 54.58 54.87 2jqj n ASN 121 Cb 0.65 -1.47 0.06 0.00 -2.08 0.00 0.00 39.78 36.94 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqj n GLY 122 N 0.94 -0.14 3.46 4.83 0.00 -0.76 -5.02 105.19 108.50 2jqj n GLY 122 Ca 0.09 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.65 4.30 -0.10 1.61 1.11 -1.17 -4.97 116.67 113.80 2jqj s ASP 123 Ca 0.19 -0.21 -0.18 0.00 0.18 0.00 0.00 52.55 52.53 2jqj s ASP 123 Cb -0.08 -1.43 -0.04 0.00 1.07 0.00 0.00 42.92 42.43 2jqj s ASP 123 CO 0.53 0.23 0.49 -0.13 1.18 0.00 0.00 175.17 177.48 2jqj s ARG 124 N -0.05 4.33 -0.10 8.23 1.81 -1.26 -1.52 118.95 130.38 2jqj s ARG 124 Ca -0.01 0.49 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 2jqj s ARG 124 Cb -0.14 -3.42 0.02 0.00 -0.45 0.00 0.00 34.95 30.96 2jqj s ARG 124 CO 0.03 0.19 -0.08 0.42 -0.68 0.00 0.00 175.30 175.18 2jqj s ILE 125 N 0.51 1.00 -0.13 1.52 1.09 0.11 -0.38 121.20 124.91 2jqj s ILE 125 Ca 0.27 -0.29 -0.01 0.00 -1.10 0.00 0.00 60.65 59.52 2jqj s ILE 125 Cb -0.15 -1.00 -0.02 0.00 -1.06 0.00 0.00 42.46 40.22 2jqj s ILE 125 CO 0.11 0.36 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.51 2jqj s VAL 126 N 1.53 3.21 -0.02 2.92 1.01 0.20 -0.63 120.40 128.61 2jqj s VAL 126 Ca 0.01 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2jqj s VAL 126 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2jqj s VAL 126 CO -0.06 0.52 -0.15 -0.36 0.00 0.00 0.00 175.10 175.05 2jqj s PHE 127 N 0.29 2.67 0.00 5.22 0.40 0.29 0.03 117.98 126.88 2jqj s PHE 127 Ca -0.09 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2jqj s PHE 127 Cb -0.15 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.79 2jqj s PHE 127 CO 0.05 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.58 2jqj n GLY 128 N 2.10 0.98 0.00 4.36 0.00 -0.14 -2.51 105.19 109.97 2jqj n GLY 128 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jqj n GLY 128 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jqj n LYS 129 N 0.00 0.00 -0.12 1.61 2.85 -1.26 -4.58 118.16 116.67 2jqj n LYS 129 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2jqj n LYS 129 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jqj n SER 130 N 0.00 2.15 -4.55 -5.58 3.41 -1.23 -4.90 113.62 102.92 2jqj n SER 130 Ca 0.00 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 2jqj n SER 130 Cb 0.00 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.54 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 9.42 2.62 0.04 0.00 0.01 -1.26 0.11 113.70 124.63 2jqj s SER 132 Ca 1.04 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 57.79 2jqj s SER 132 Cb -0.43 -1.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.60 2jqj s SER 132 CO 0.36 0.00 0.04 0.72 0.41 0.00 0.00 173.24 174.77 2jqj s PHE 133 N 1.11 0.31 -0.03 2.43 -0.71 0.20 0.49 117.98 121.78 2jqj s PHE 133 Ca -0.03 -0.70 0.06 0.00 -1.04 0.00 0.00 56.93 55.23 2jqj s PHE 133 Cb -0.14 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 2jqj s PHE 133 CO -0.04 -0.35 -0.22 -1.17 -1.34 0.00 0.00 175.22 172.10 2jqj s LEU 134 N -2.32 2.30 -0.07 -1.99 0.20 0.39 0.10 118.68 117.29 2jqj s LEU 134 Ca -0.02 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.40 2jqj s LEU 134 Cb 0.01 -1.42 -0.04 0.00 -0.43 0.00 0.00 46.19 44.31 2jqj s LEU 134 CO -0.06 0.33 0.05 0.12 -0.29 0.00 0.00 176.35 176.50 2jqj s PHE 135 N -0.66 3.28 0.12 5.38 2.19 -0.58 -1.81 117.98 125.91 2jqj s PHE 135 Ca 0.11 0.26 -0.18 0.00 0.33 0.00 0.00 56.93 57.45 2jqj s PHE 135 Cb -0.10 -1.80 0.04 0.00 -1.31 0.00 0.00 43.02 39.85 2jqj s PHE 135 CO -0.00 0.54 0.44 -1.59 1.83 0.00 0.00 175.22 176.44 2jqj s LYS 136 N -1.13 1.09 0.17 10.12 -2.85 -1.16 -1.82 119.74 124.16 2jqj s LYS 136 Ca 0.16 -0.62 -0.26 0.00 -1.00 0.00 0.00 55.97 54.25 2jqj s LYS 136 Cb -0.12 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 36.06 2jqj s LYS 136 CO 0.06 -0.43 0.79 0.71 0.10 0.00 0.00 175.35 176.57 2jqj s TYR 137 N -3.63 3.91 -0.93 1.78 2.02 -1.26 -1.70 117.35 117.54 2jqj s TYR 137 Ca 0.02 1.65 -0.14 0.00 -0.37 0.00 0.00 57.07 58.23 2jqj s TYR 137 Cb 0.01 -2.78 0.21 0.00 -0.40 0.00 0.00 41.96 38.99 2jqj s TYR 137 CO -0.11 0.50 0.96 0.00 -1.57 0.00 0.00 175.55 175.34 2jqj s ALA 138 N -1.11 4.05 0.50 3.71 0.00 -0.88 -4.86 121.76 123.16 2jqj s ALA 138 Ca 0.36 -3.31 0.07 0.00 0.00 0.00 0.00 51.96 49.08 2jqj s ALA 138 Cb -0.23 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.21 2jqj s ALA 138 CO 0.27 -2.46 0.42 -1.54 0.00 0.00 0.00 175.76 172.45 2jqj s SER 139 N 2.37 4.80 -0.07 0.00 1.04 -1.26 -4.77 113.70 115.82 2jqj s SER 139 Ca 0.25 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.67 2jqj s SER 139 Cb -0.08 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2jqj s SER 139 CO -0.08 -0.94 -0.07 -0.55 0.98 0.00 0.00 173.24 172.58 2jqj s SER 140 N -4.24 1.48 0.39 7.02 0.15 -1.26 -4.95 113.70 112.29 2jqj s SER 140 Ca 0.42 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2jqj s SER 140 Cb -0.02 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2jqj s SER 140 CO 0.25 -0.05 0.00 -0.24 1.20 0.00 0.00 173.24 174.40 2jqj n SER 141 N 4.24 -2.75 -1.56 5.45 2.88 -1.26 -4.99 113.62 115.63 2jqj n SER 141 Ca -0.20 0.73 0.02 0.00 -1.33 0.00 0.00 58.87 58.08 2jqj n SER 141 Cb 0.51 2.65 0.01 0.00 -0.75 0.00 0.00 64.21 66.63 2jqj n SER 141 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jqj n SER 142 N -3.39 0.72 -1.41 -3.46 3.41 -1.26 -4.86 113.62 103.37 2jqj n SER 142 Ca 0.00 -2.01 0.02 0.00 -0.26 0.00 0.00 58.87 56.62 2jqj n SER 142 Cb 0.00 -0.21 0.29 0.00 -0.26 0.00 0.00 64.21 64.02 2jqj n SER 142 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jqj n THR 143 N 0.30 2.60 -0.01 6.66 -2.24 -1.26 -4.39 114.28 115.94 2jqj n THR 143 Ca 0.01 -1.87 -0.01 0.00 -2.27 0.00 0.00 64.05 59.90 2jqj n THR 143 Cb 1.05 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 2jqj n THR 143 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jqj n ASP 144 N -0.34 4.33 -1.99 3.42 8.00 -1.26 -4.58 116.55 124.12 2jqj n ASP 144 Ca 0.30 -0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.72 2jqj n ASP 144 Cb 1.11 0.52 0.29 0.00 -0.02 0.00 0.00 41.12 43.03 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jqj n ILE 145 N -2.13 2.96 -2.35 0.53 5.41 -1.26 -4.14 119.36 118.37 2jqj n ILE 145 Ca -0.04 -1.72 -0.02 0.00 1.00 0.00 0.00 62.75 61.96 2jqj n ILE 145 Cb 0.58 -0.37 0.01 0.00 -0.71 0.00 0.00 39.64 39.15 2jqj n ILE 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2jqj n GLU 146 N -0.31 0.47 -2.86 0.38 2.13 -1.26 -5.06 120.64 114.13 2jqj n GLU 146 Ca 0.43 -1.57 -0.43 0.00 0.66 0.00 0.00 57.16 56.24 2jqj n GLU 146 Cb 1.41 0.12 -0.03 0.00 0.27 0.00 0.00 31.44 33.22 2jqj n GLU 146 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2jqj s ASN 147 N -1.59 6.54 0.07 4.31 -0.87 -1.26 -5.01 114.94 117.13 2jqj s ASN 147 Ca 0.13 -1.80 -0.01 0.00 -1.57 0.00 0.00 52.86 49.61 2jqj s ASN 147 Cb 0.22 -2.43 -0.04 0.00 -0.02 0.00 0.00 41.25 38.98 2jqj s ASN 147 CO -0.07 -1.19 0.24 -1.81 -2.57 0.00 0.00 177.10 171.70 2jqj s ASP 148 N 3.84 6.39 0.00 -1.22 1.11 -1.26 -4.97 116.67 120.56 2jqj s ASP 148 Ca 0.33 0.34 0.00 0.00 0.18 0.00 0.00 52.55 53.40 2jqj s ASP 148 Cb -0.06 -1.99 0.00 0.00 1.07 0.00 0.00 42.92 41.94 2jqj s ASP 148 CO -0.07 0.16 0.00 -0.67 1.18 0.00 0.00 175.17 175.77 2jqj n ASP 149 N 0.33 0.00 -4.72 0.27 2.03 -1.26 -5.10 116.55 108.09 2jqj n ASP 149 Ca -0.05 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 2jqj n ASP 149 Cb 0.51 0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 41.06 2jqj n ASP 149 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jqj n GLU 150 N -2.25 2.62 -2.70 -0.67 1.02 -1.26 -3.96 120.64 113.44 2jqj n GLU 150 Ca 0.00 0.94 -0.02 0.00 -0.02 0.00 0.00 57.16 58.06 2jqj n GLU 150 Cb 0.00 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 28.69 2jqj n GLU 150 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jqj n LYS 151 N 2.87 -3.12 -3.37 3.49 3.00 -1.26 -5.00 118.16 114.78 2jqj n LYS 151 Ca 0.12 2.56 -0.33 0.00 -0.00 0.00 0.00 58.31 60.66 2jqj n LYS 151 Cb 0.35 -5.29 -0.06 0.00 0.00 0.00 0.00 35.03 30.03 2jqj n LYS 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2jqj s VAL 152 N -1.80 4.88 0.58 3.15 -7.23 -1.25 -5.08 120.40 113.64 2jqj s VAL 152 Ca 0.06 0.60 -0.10 0.00 -1.81 0.00 0.00 61.98 60.73 2jqj s VAL 152 Cb -0.02 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.43 2jqj s VAL 152 CO 0.75 -0.03 0.39 -0.24 -0.31 0.00 0.00 175.10 175.66 2jqj n SER 153 N -0.01 -2.42 0.00 4.85 2.88 -1.26 -5.05 113.62 112.62 2jqj n SER 153 Ca -0.00 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 2jqj n SER 153 Cb 0.52 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2jqj n SER 153 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jqj n SER 154 N -4.04 0.00 -3.23 -3.46 7.64 -1.26 -5.11 113.62 104.16 2jqj n SER 154 Ca 0.06 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.70 2jqj n SER 154 Cb 0.25 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.66 2jqj n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqj n GLU 155 N -2.45 -3.60 -0.11 1.43 -0.58 -1.26 -4.86 120.64 109.21 2jqj n GLU 155 Ca 0.00 -1.23 0.02 0.00 -0.42 0.00 0.00 57.16 55.53 2jqj n GLU 155 Cb 0.00 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2jqj n GLU 155 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jqj n SER 156 N -4.89 -5.98 0.00 1.62 7.64 -1.26 -4.99 113.62 105.76 2jqj n SER 156 Ca 0.11 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2jqj n SER 156 Cb 0.46 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2jqj n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqj n ARG 157 N -2.10 0.00 -1.28 1.43 1.74 -1.26 -5.17 116.66 110.02 2jqj n ARG 157 Ca 0.00 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.25 2jqj n ARG 157 Cb 0.05 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.44 2jqj n ARG 157 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jqj n SER 158 N -0.60 -7.60 -0.66 0.55 2.88 -1.26 -5.25 113.62 101.69 2jqj n SER 158 Ca 0.00 0.61 0.13 0.00 -1.33 0.00 0.00 58.87 58.28 2jqj n SER 158 Cb 0.00 -3.93 0.37 0.00 -0.75 0.00 0.00 64.21 59.90 2jqj n SER 158 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81