#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 0.92 -0.05 1.97 1.74 -1.26 -4.78 116.66 115.21 2jqj n ARG 20 Ca 0.00 -2.72 -0.06 0.00 -0.77 0.00 0.00 57.85 54.30 2jqj n ARG 20 Cb 0.00 -0.83 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 2jqj n ARG 20 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2jqj n GLN 21 N -0.21 1.05 -3.59 5.56 6.02 -1.26 -5.00 117.38 119.95 2jqj n GLN 21 Ca 0.13 0.04 -0.37 0.00 -0.01 0.00 0.00 57.00 56.78 2jqj n GLN 21 Cb 0.96 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.95 2jqj n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jqj s GLN 22 N -2.20 3.89 0.21 -1.09 -1.52 -1.26 -4.96 119.66 112.72 2jqj s GLN 22 Ca -0.10 0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.52 2jqj s GLN 22 Cb 0.03 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 2jqj s GLN 22 CO 0.26 0.59 0.00 0.54 -0.25 0.00 0.00 175.29 176.43 2jqj n ARG 23 N 2.31 0.00 -5.25 2.91 1.74 -1.26 -5.09 116.66 112.02 2jqj n ARG 23 Ca -0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.62 2jqj n ARG 23 Cb 0.53 -0.22 -0.16 0.00 -1.02 0.00 0.00 32.46 31.59 2jqj n ARG 23 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jqj s SER 24 N -5.42 3.16 0.05 0.55 0.01 -1.26 -5.03 113.70 105.76 2jqj s SER 24 Ca 0.00 -0.46 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2jqj s SER 24 Cb 0.00 -0.63 -0.29 0.00 0.21 0.00 0.00 66.02 65.31 2jqj s SER 24 CO 0.00 0.29 1.05 0.78 0.41 0.00 0.00 173.24 175.76 2jqj h ASN 25 N 5.75 0.47 -3.48 2.44 2.35 -2.04 -3.42 115.58 117.65 2jqj h ASN 25 Ca -0.38 -0.53 -0.71 0.00 -0.55 0.00 0.00 56.30 54.13 2jqj h ASN 25 Cb 1.15 -0.15 -0.29 0.00 0.05 0.00 0.00 38.32 39.08 2jqj h ASN 25 CO 0.47 1.42 -0.49 -0.54 -1.65 0.00 0.00 177.43 176.64 2jqj s LYS 26 N -2.64 2.53 0.36 0.81 1.02 -1.26 -5.08 119.74 115.48 2jqj s LYS 26 Ca -0.06 -1.47 -0.27 0.00 0.02 0.00 0.00 55.97 54.18 2jqj s LYS 26 Cb 0.07 -3.71 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 2jqj s LYS 26 CO 0.88 -0.93 1.25 -1.25 -0.92 0.00 0.00 175.35 174.38 2jqj s PRO 27 N 1.38 4.23 0.35 -1.68 0.04 -1.26 -5.04 135.00 133.01 2jqj s PRO 27 Ca 0.03 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.22 2jqj s PRO 27 Cb -0.23 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2jqj s PRO 27 CO 0.01 -0.25 0.33 -1.12 0.04 0.00 0.00 177.00 176.01 2jqj s SER 28 N -0.73 5.35 0.28 6.66 0.01 -1.26 -5.14 113.70 118.87 2jqj s SER 28 Ca 0.52 -0.49 0.11 0.00 1.31 0.00 0.00 55.95 57.40 2jqj s SER 28 Cb -0.37 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2jqj s SER 28 CO 0.48 -0.40 -0.11 -0.44 0.41 0.00 0.00 173.24 173.17 2jqj s SER 29 N -4.03 3.99 -0.08 2.44 0.01 -1.26 -5.14 113.70 109.63 2jqj s SER 29 Ca 0.42 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 2jqj s SER 29 Cb -0.06 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.68 2jqj s SER 29 CO 0.27 0.01 0.18 -0.70 0.41 0.00 0.00 173.24 173.42 2jqj s GLU 30 N -3.58 0.14 0.00 12.44 2.12 -1.26 -5.12 118.70 123.43 2jqj s GLU 30 Ca 0.31 0.42 0.00 0.00 0.36 0.00 0.00 54.97 56.06 2jqj s GLU 30 Cb -0.05 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.19 2jqj s GLU 30 CO 0.17 -0.16 0.00 0.66 -0.54 0.00 0.00 175.26 175.39 2jqj n TYR 31 N 4.17 0.00 -3.84 5.30 4.02 -1.26 -5.01 117.16 120.54 2jqj n TYR 31 Ca -0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.51 2jqj n TYR 31 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 2jqj n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2jqj s THR 32 N 0.00 -0.02 -0.11 -0.72 -1.32 -1.26 -5.01 115.64 107.20 2jqj s THR 32 Ca 0.00 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2jqj s THR 32 Cb 0.00 -0.05 -0.03 0.00 -1.51 0.00 0.00 72.50 70.91 2jqj s THR 32 CO 0.00 0.02 1.40 0.00 -2.21 0.00 0.00 174.62 173.83 2jqj n LEU 34 N 6.63 2.85 0.00 0.00 0.00 -1.01 -5.01 117.00 120.46 2jqj n LEU 34 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.16 2jqj n LEU 34 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.85 2jqj n LEU 34 CO 0.58 0.48 0.00 0.61 0.00 0.00 0.00 177.39 179.06 2jqj n GLY 35 N 3.46 3.13 3.22 -3.96 0.00 -1.18 -1.10 105.19 108.77 2jqj n GLY 35 Ca -0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -5.11 0.19 -0.14 1.61 3.76 -1.03 -1.04 115.29 113.54 2jqj s HIS 36 Ca 0.00 -0.61 -0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2jqj s HIS 36 Cb 0.00 -0.06 0.03 0.00 1.11 0.00 0.00 32.58 33.65 2jqj s HIS 36 CO 0.00 -0.56 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.71 2jqj s LEU 37 N -2.87 1.49 -0.26 0.89 1.02 0.12 -2.89 118.68 116.17 2jqj s LEU 37 Ca 0.07 -0.44 -0.12 0.00 0.02 0.00 0.00 54.13 53.65 2jqj s LEU 37 Cb 0.05 -1.01 -0.05 0.00 0.02 0.00 0.00 46.19 45.20 2jqj s LEU 37 CO -0.10 -0.10 0.25 -0.69 0.02 0.00 0.00 176.35 175.74 2jqj s VAL 38 N 1.59 5.27 -0.27 -1.59 1.01 -0.75 -0.77 120.40 124.90 2jqj s VAL 38 Ca 0.04 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 2jqj s VAL 38 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2jqj s VAL 38 CO -0.09 0.25 0.63 0.20 0.00 0.00 0.00 175.10 176.08 2jqj s ASN 39 N 1.48 6.55 -0.50 3.32 -0.87 0.22 -0.67 114.94 124.46 2jqj s ASN 39 Ca 0.10 0.61 -0.28 0.00 -1.57 0.00 0.00 52.86 51.73 2jqj s ASN 39 Cb -0.15 -2.33 0.01 0.00 -0.02 0.00 0.00 41.25 38.75 2jqj s ASN 39 CO 0.09 -0.40 1.44 -0.76 -2.57 0.00 0.00 177.10 174.89 2jqj s LEU 40 N 2.54 3.47 -0.02 0.60 2.01 0.43 -3.02 118.68 124.68 2jqj s LEU 40 Ca 0.26 0.52 0.06 0.00 0.01 0.00 0.00 54.13 54.97 2jqj s LEU 40 Cb -0.15 -3.23 -0.01 0.00 0.01 0.00 0.00 46.19 42.80 2jqj s LEU 40 CO 0.10 -1.63 -0.20 -0.63 1.01 0.00 0.00 176.35 174.99 2jqj s ILE 41 N 5.96 1.63 0.56 -0.59 1.01 -1.26 -4.67 121.20 123.84 2jqj s ILE 41 Ca 0.57 -0.87 0.39 0.00 0.00 0.00 0.00 60.65 60.74 2jqj s ILE 41 Cb -0.12 -1.36 0.58 0.00 0.01 0.00 0.00 42.46 41.56 2jqj s ILE 41 CO 0.28 0.46 1.65 -0.65 0.00 0.00 0.00 174.94 176.68 2jqj h PRO 42 N 5.78 0.00 0.00 2.79 0.11 -2.02 -3.41 132.00 135.25 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 -1.79 3.72 3.57 -0.55 0.00 -1.26 -5.01 105.19 103.87 2jqj n GLY 43 Ca 0.30 -1.73 -0.49 0.00 0.00 0.00 0.00 46.02 44.10 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 1.61 -0.50 1.61 5.02 -1.26 -4.92 118.16 119.71 2jqj n LYS 44 Ca 0.00 0.51 -0.29 0.00 -2.02 0.00 0.00 58.31 56.51 2jqj n LYS 44 Cb 0.00 -2.66 0.25 0.00 -0.02 0.00 0.00 35.03 32.60 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 7.67 -2.28 -3.93 1.97 0.28 -1.26 -4.81 120.64 118.28 2jqj n GLU 45 Ca 0.32 -0.63 -0.21 0.00 -0.16 0.00 0.00 57.16 56.49 2jqj n GLU 45 Cb 0.29 -2.19 -0.17 0.00 1.43 0.00 0.00 31.44 30.80 2jqj n GLU 45 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2jqj s GLN 46 N -4.42 0.61 -0.10 3.44 0.74 -1.17 -4.99 119.66 113.77 2jqj s GLN 46 Ca 0.68 0.04 0.01 0.00 0.05 0.00 0.00 55.36 56.14 2jqj s GLN 46 Cb -0.25 -0.83 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 2jqj s GLN 46 CO 0.64 -0.20 -0.11 -1.59 -0.55 0.00 0.00 175.29 173.48 2jqj s LYS 47 N 1.45 3.07 -0.02 1.67 -2.85 -1.26 0.69 119.74 122.49 2jqj s LYS 47 Ca -0.03 -0.65 0.06 0.00 -1.00 0.00 0.00 55.97 54.35 2jqj s LYS 47 Cb -0.13 -2.58 -0.01 0.00 -2.06 0.00 0.00 37.83 33.04 2jqj s LYS 47 CO -0.03 0.40 -0.19 0.08 0.10 0.00 0.00 175.35 175.71 2jqj s VAL 48 N -0.13 1.49 0.23 1.79 1.01 0.05 -4.93 120.40 119.91 2jqj s VAL 48 Ca -0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2jqj s VAL 48 Cb -0.13 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 2jqj s VAL 48 CO 0.03 0.42 0.93 -1.83 0.00 0.00 0.00 175.10 174.65 2jqj s GLU 49 N -0.39 4.83 -0.11 2.72 -1.05 -1.26 0.12 118.70 123.55 2jqj s GLU 49 Ca 0.06 1.46 0.02 0.00 -0.15 0.00 0.00 54.97 56.36 2jqj s GLU 49 Cb -0.08 -3.28 -0.01 0.00 -0.44 0.00 0.00 34.13 30.32 2jqj s GLU 49 CO -0.00 0.51 -0.17 -1.50 0.95 0.00 0.00 175.26 175.04 2jqj s ILE 50 N -1.11 2.73 0.45 1.83 2.07 -0.20 -4.91 121.20 122.06 2jqj s ILE 50 Ca 0.41 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 58.91 2jqj s ILE 50 Cb -0.26 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.23 2jqj s ILE 50 CO 0.31 0.54 0.63 0.42 -1.91 0.00 0.00 174.94 174.94 2jqj s THR 51 N 0.25 3.28 -0.86 4.00 -4.23 -1.26 -2.40 115.64 114.43 2jqj s THR 51 Ca -0.12 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2jqj s THR 51 Cb -0.16 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.78 2jqj s THR 51 CO 0.06 -0.09 1.00 -0.46 -0.54 0.00 0.00 174.62 174.59 2jqj n ASN 52 N -2.00 4.76 -1.93 3.99 0.23 -1.17 -4.82 115.26 114.31 2jqj n ASN 52 Ca 0.05 -3.34 -0.03 0.00 -0.53 0.00 0.00 54.58 50.73 2jqj n ASN 52 Cb 0.59 -0.98 0.31 0.00 -2.08 0.00 0.00 39.78 37.62 2jqj n ASN 52 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jqj n ARG 53 N 1.44 3.84 0.00 -3.83 1.74 -1.26 -4.84 116.66 113.75 2jqj n ARG 53 Ca 0.26 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 2jqj n ARG 53 Cb 0.37 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 2jqj n ARG 53 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jqj n ASN 54 N 0.04 0.00 -3.87 0.55 2.85 -0.84 -4.81 115.26 109.18 2jqj n ASN 54 Ca 0.36 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.67 2jqj n ASN 54 Cb 1.30 -0.04 -0.15 0.00 1.24 0.00 0.00 39.78 42.12 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 -0.08 0.25 -0.10 3.44 1.01 -1.26 -2.38 120.40 121.27 2jqj s VAL 55 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2jqj s VAL 55 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2jqj s VAL 55 CO 0.00 0.12 -0.15 -0.89 0.00 0.00 0.00 175.10 174.18 2jqj s THR 56 N 0.54 1.48 -0.16 3.92 2.01 0.54 -4.87 115.64 119.10 2jqj s THR 56 Ca -0.05 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 2jqj s THR 56 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2jqj s THR 56 CO -0.01 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jqj s THR 57 N 0.95 4.80 -0.22 -0.82 -4.23 -1.26 0.91 115.64 115.78 2jqj s THR 57 Ca -0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 2jqj s THR 57 Cb -0.15 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.59 2jqj s THR 57 CO -0.01 0.51 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.82 2jqj s ILE 58 N -0.07 2.36 -0.39 2.99 1.09 -0.60 0.10 121.20 126.69 2jqj s ILE 58 Ca 0.07 -1.08 0.00 0.00 -1.10 0.00 0.00 60.65 58.53 2jqj s ILE 58 Cb -0.12 -2.14 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 2jqj s ILE 58 CO 0.01 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 2jqj n GLY 59 N 4.60 -0.85 0.08 6.18 0.00 -0.92 -3.06 105.19 111.22 2jqj n GLY 59 Ca -0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 1.24 -1.66 1.61 0.63 -1.24 -2.93 116.66 114.31 2jqj n ARG 60 Ca 0.00 0.00 -0.54 0.00 -0.92 0.00 0.00 57.85 56.40 2jqj n ARG 60 Cb 0.00 -1.42 -0.06 0.00 0.45 0.00 0.00 32.46 31.42 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 -2.66 2.25 0.10 6.15 2.88 -1.26 -4.82 113.62 116.26 2jqj n SER 61 Ca -0.28 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.49 2jqj n SER 61 Cb 1.02 -1.20 0.65 0.00 -0.75 0.00 0.00 64.21 63.94 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 6.32 0.04 0.00 -1.46 3.08 -1.98 0.15 114.38 120.53 2jqj h ARG 62 Ca -0.47 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 2jqj h ARG 62 Cb 1.32 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 2jqj h ARG 62 CO 0.89 0.02 -0.10 0.77 -1.07 0.00 0.00 179.97 180.48 2jqj h SER 63 N 0.04 0.00 -3.10 7.04 0.02 -2.00 -3.45 113.55 112.10 2jqj h SER 63 Ca 0.15 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.63 2jqj h SER 63 Cb 0.55 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.31 2jqj h SER 63 CO -0.01 0.10 -0.46 0.00 -1.14 0.00 0.00 176.83 175.33 2jqj h ASP 65 N -2.15 0.13 -3.26 0.00 1.82 0.39 -3.46 116.42 109.89 2jqj h ASP 65 Ca -0.53 -0.84 -0.59 0.00 -0.39 0.00 0.00 57.03 54.68 2jqj h ASP 65 Cb 1.32 -0.04 -0.34 0.00 0.68 0.00 0.00 39.33 40.95 2jqj h ASP 65 CO 0.41 1.29 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.81 2jqj s VAL 66 N -2.33 1.53 -0.17 2.25 1.01 0.18 -4.90 120.40 117.96 2jqj s VAL 66 Ca -0.21 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2jqj s VAL 66 Cb 0.01 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2jqj s VAL 66 CO 0.70 0.45 0.20 0.27 0.00 0.00 0.00 175.10 176.72 2jqj s ILE 67 N 0.97 5.37 -0.31 2.22 -4.36 -1.26 -2.17 121.20 121.66 2jqj s ILE 67 Ca -0.07 0.35 0.02 0.00 -0.26 0.00 0.00 60.65 60.69 2jqj s ILE 67 Cb -0.15 -3.54 0.08 0.00 1.25 0.00 0.00 42.46 40.10 2jqj s ILE 67 CO -0.02 0.44 0.00 -0.76 0.24 0.00 0.00 174.94 174.85 2jqj s LEU 68 N 0.26 4.22 0.00 0.37 1.43 -1.15 -4.90 118.68 118.91 2jqj s LEU 68 Ca 0.12 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 2jqj s LEU 68 Cb -0.12 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2jqj s LEU 68 CO 0.01 -0.31 0.00 -1.20 0.23 0.00 0.00 176.35 175.08 2jqj n SER 69 N 4.42 0.00 0.00 2.29 7.64 -1.26 -4.29 113.62 122.42 2jqj n SER 69 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2jqj n SER 69 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.12 1.43 1.02 -1.26 -4.85 120.64 117.11 2jqj n GLU 70 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2jqj n GLU 70 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 31.90 2jqj n GLU 70 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jqj n PRO 71 N 0.00 0.16 -0.69 3.49 -0.04 -1.26 -2.60 135.00 134.05 2jqj n PRO 71 Ca 0.00 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 2jqj n PRO 71 Cb 0.00 -1.85 0.10 0.00 -0.04 0.00 0.00 33.50 31.71 2jqj n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jqj n ASP 72 N -2.16 1.34 -4.40 3.54 8.00 -1.26 -5.06 116.55 116.55 2jqj n ASP 72 Ca 0.01 -2.84 -0.29 0.00 0.71 0.00 0.00 54.79 52.38 2jqj n ASP 72 Cb 0.16 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.67 2.29 -0.16 0.53 1.10 -1.07 -4.86 121.20 117.37 2jqj s ILE 73 Ca 0.28 -1.79 -0.15 0.00 -0.51 0.00 0.00 60.65 58.48 2jqj s ILE 73 Cb 0.28 -2.03 -0.04 0.00 0.15 0.00 0.00 42.46 40.82 2jqj s ILE 73 CO -0.06 0.06 0.35 -0.55 -2.11 0.00 0.00 174.94 172.63 2jqj s SER 74 N -2.15 6.49 0.45 4.50 0.15 -1.26 -4.46 113.70 117.42 2jqj s SER 74 Ca 0.15 0.58 0.19 0.00 0.70 0.00 0.00 55.95 57.57 2jqj s SER 74 Cb -0.10 -2.21 1.14 0.00 -1.71 0.00 0.00 66.02 63.14 2jqj s SER 74 CO 0.07 0.05 1.92 0.74 1.20 0.00 0.00 173.24 177.21 2jqj h THR 75 N 4.75 0.75 -0.26 6.45 2.02 -1.90 0.02 112.91 124.72 2jqj h THR 75 Ca -0.40 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2jqj h THR 75 Cb 1.17 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2jqj h THR 75 CO 0.75 0.06 0.00 0.49 0.37 0.00 0.00 175.52 177.19 2jqj n PHE 76 N -4.45 0.56 0.00 3.16 3.72 -1.26 -4.53 117.46 114.65 2jqj n PHE 76 Ca 0.15 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 2jqj n PHE 76 Cb 0.61 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 -0.05 0.00 -3.74 1.38 -0.00 -0.01 -4.75 115.22 108.05 2jqj n HIS 77 Ca 0.14 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.22 2jqj n HIS 77 Cb 0.58 -0.22 -0.04 0.00 -0.12 0.00 0.00 29.99 30.19 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 -3.38 -0.88 -0.02 1.57 0.00 -1.17 -4.11 121.76 113.76 2jqj s ALA 78 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.77 2jqj s ALA 78 Cb 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2jqj s ALA 78 CO 0.00 -0.78 -0.16 -2.00 0.00 0.00 0.00 175.76 172.83 2jqj s GLU 79 N -3.87 1.33 -0.09 0.00 2.12 -0.38 -1.55 118.70 116.26 2jqj s GLU 79 Ca 0.09 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.90 2jqj s GLU 79 Cb -0.00 -1.27 -0.00 0.00 0.26 0.00 0.00 34.13 33.12 2jqj s GLU 79 CO -0.04 0.32 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.71 2jqj s PHE 80 N -0.30 2.56 -0.33 5.30 0.40 0.26 -1.23 117.98 124.65 2jqj s PHE 80 Ca 0.04 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.28 2jqj s PHE 80 Cb -0.07 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 2jqj s PHE 80 CO -0.00 -0.35 0.46 -1.01 0.70 0.00 0.00 175.22 175.02 2jqj s HIS 81 N 0.21 3.21 -0.36 0.36 3.76 0.13 0.20 115.29 122.80 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 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.77 2jqj s HIS 81 CO 0.07 -0.44 0.17 -0.51 -0.85 0.00 0.00 174.74 173.19 2jqj s LEU 82 N 2.25 4.61 -0.02 0.89 2.01 -1.00 -0.78 118.68 126.64 2jqj s LEU 82 Ca 0.17 -1.09 0.08 0.00 0.01 0.00 0.00 54.13 53.30 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.01 0.00 0.00 46.19 44.06 2jqj s LEU 82 CO 0.12 -0.38 -0.25 -0.22 1.01 0.00 0.00 176.35 176.63 2jqj s LEU 83 N 1.49 2.05 -0.19 1.79 2.96 -1.14 -1.98 118.68 123.65 2jqj s LEU 83 Ca 0.01 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2jqj s LEU 83 Cb -0.20 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 2jqj s LEU 83 CO 0.05 0.31 0.01 -1.10 -1.32 0.00 0.00 176.35 174.29 2jqj s GLN 84 N -0.59 3.69 0.02 1.98 -0.21 -1.26 -3.06 119.66 120.24 2jqj s GLN 84 Ca 0.10 -0.49 0.06 0.00 0.02 0.00 0.00 55.36 55.05 2jqj s GLN 84 Cb -0.10 -3.08 -0.02 0.00 1.00 0.00 0.00 33.01 30.81 2jqj s GLN 84 CO -0.01 0.09 -0.19 1.41 -2.12 0.00 0.00 175.29 174.48 2jqj s MET 85 N 0.80 1.34 -0.32 2.91 1.75 -0.87 -5.06 119.30 119.86 2jqj s MET 85 Ca 0.01 -0.79 -0.16 0.00 -1.25 0.00 0.00 55.69 53.50 2jqj s MET 85 Cb -0.14 -1.38 -0.02 0.00 2.84 0.00 0.00 34.83 36.13 2jqj s MET 85 CO 0.02 0.36 0.40 0.16 -0.65 0.00 0.00 175.02 175.31 2jqj s ASP 86 N -0.87 6.24 -0.05 1.11 -4.77 -1.26 -1.77 116.67 115.29 2jqj s ASP 86 Ca 0.06 0.00 -0.02 0.00 -3.30 0.00 0.00 52.55 49.30 2jqj s ASP 86 Cb -0.08 -2.22 0.03 0.00 -1.09 0.00 0.00 42.92 39.56 2jqj s ASP 86 CO 0.01 -0.32 0.04 -0.69 0.70 0.00 0.00 175.17 174.91 2jqj s VAL 87 N 2.12 0.03 0.20 2.11 1.01 -1.22 -4.90 120.40 119.75 2jqj s VAL 87 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2jqj s VAL 87 Cb -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2jqj s VAL 87 CO 0.11 0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.74 2jqj n ASP 88 N 5.14 -6.97 -0.21 3.32 -0.08 -1.26 -3.55 116.55 112.94 2jqj n ASP 88 Ca -0.07 0.93 0.28 0.00 -1.51 0.00 0.00 54.79 54.42 2jqj n ASP 88 Cb 0.50 -2.62 0.68 0.00 2.34 0.00 0.00 41.12 42.03 2jqj n ASP 88 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 2jqj h ASN 89 N -0.80 0.09 -5.30 1.67 -1.24 -2.05 -3.41 115.58 104.54 2jqj h ASN 89 Ca 0.02 0.01 -0.36 0.00 0.71 0.00 0.00 56.30 56.68 2jqj h ASN 89 Cb 0.79 -0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.89 2jqj h ASN 89 CO 0.01 0.03 0.05 0.49 -1.29 0.00 0.00 177.43 176.72 2jqj n PHE 90 N -4.32 -2.88 -4.78 0.67 3.01 -1.23 -5.11 117.46 102.83 2jqj n PHE 90 Ca 0.20 -1.44 -0.33 0.00 1.01 0.00 0.00 57.45 56.89 2jqj n PHE 90 Cb 0.95 -0.53 -0.15 0.00 -0.01 0.00 0.00 39.48 39.74 2jqj n PHE 90 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2jqj s GLN 91 N -4.38 3.28 -0.25 -1.08 -2.07 -1.26 -3.45 119.66 110.46 2jqj s GLN 91 Ca 0.50 -0.73 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 2jqj s GLN 91 Cb -0.03 -2.58 -0.05 0.00 -1.09 0.00 0.00 33.01 29.26 2jqj s GLN 91 CO 0.33 0.15 0.21 1.03 -1.32 0.00 0.00 175.29 175.69 2jqj s ARG 92 N 0.48 4.04 -0.07 9.60 3.00 -0.73 -4.91 118.95 130.37 2jqj s ARG 92 Ca -0.11 -0.22 0.02 0.00 0.00 0.00 0.00 55.73 55.43 2jqj s ARG 92 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 34.95 31.18 2jqj s ARG 92 CO 0.05 -0.04 -0.13 -0.80 0.00 0.00 0.00 175.30 174.38 2jqj s ASN 93 N 1.30 4.13 -0.03 0.23 -0.87 -1.26 -2.05 114.94 116.39 2jqj s ASN 93 Ca 0.09 -0.19 0.02 0.00 -1.57 0.00 0.00 52.86 51.21 2jqj s ASN 93 Cb -0.15 -1.03 0.01 0.00 -0.02 0.00 0.00 41.25 40.06 2jqj s ASN 93 CO 0.07 0.32 -0.09 -0.76 -2.57 0.00 0.00 177.10 174.07 2jqj s LEU 94 N -0.56 1.70 -0.03 0.60 1.02 -1.17 -4.98 118.68 115.27 2jqj s LEU 94 Ca 0.08 -0.19 0.05 0.00 0.02 0.00 0.00 54.13 54.09 2jqj s LEU 94 Cb -0.12 -0.57 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 2jqj s LEU 94 CO 0.01 0.04 -0.17 -0.63 0.02 0.00 0.00 176.35 175.63 2jqj s ILE 95 N 0.35 2.85 -0.07 -0.59 1.09 -1.16 -2.89 121.20 120.79 2jqj s ILE 95 Ca -0.06 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 58.64 2jqj s ILE 95 Cb -0.10 -2.12 -0.02 0.00 -1.06 0.00 0.00 42.46 39.15 2jqj s ILE 95 CO 0.01 0.54 -0.14 0.21 -0.10 0.00 0.00 174.94 175.46 2jqj s ASN 96 N -0.87 4.06 -0.20 3.58 2.47 0.04 0.22 114.94 124.24 2jqj s ASN 96 Ca 0.12 -0.22 -0.07 0.00 0.42 0.00 0.00 52.86 53.12 2jqj s ASN 96 Cb -0.10 -1.04 -0.03 0.00 -1.45 0.00 0.00 41.25 38.62 2jqj s ASN 96 CO 0.01 0.30 0.04 -0.69 -3.72 0.00 0.00 177.10 173.05 2jqj s VAL 97 N -0.48 4.42 -0.11 -5.21 1.01 -0.23 -0.69 120.40 119.11 2jqj s VAL 97 Ca 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2jqj s VAL 97 Cb -0.12 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2jqj s VAL 97 CO 0.02 0.42 -0.07 -0.63 0.00 0.00 0.00 175.10 174.84 2jqj s ILE 98 N 0.82 0.98 -0.03 2.22 1.01 -0.37 -2.99 121.20 122.85 2jqj s ILE 98 Ca 0.02 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.47 2jqj s ILE 98 Cb -0.14 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 2jqj s ILE 98 CO 0.02 0.36 -0.24 -1.81 0.00 0.00 0.00 174.94 173.27 2jqj s ASP 99 N 1.63 2.79 0.00 3.58 1.01 -1.26 -1.24 116.67 123.17 2jqj s ASP 99 Ca 0.03 -0.44 0.23 0.00 0.71 0.00 0.00 52.55 53.09 2jqj s ASP 99 Cb -0.13 -0.41 0.49 0.00 1.01 0.00 0.00 42.92 43.88 2jqj s ASP 99 CO -0.07 0.28 1.44 0.29 0.21 0.00 0.00 175.17 177.32 2jqj n LYS 100 N 2.60 2.57 -2.59 8.23 4.76 -1.26 -5.02 118.16 127.46 2jqj n LYS 100 Ca -0.16 -2.40 -0.04 0.00 -2.87 0.00 0.00 58.31 52.84 2jqj n LYS 100 Cb 0.52 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.55 -2.34 0.12 4.39 7.64 -1.26 -5.03 113.62 118.70 2jqj n SER 101 Ca 0.21 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.50 2jqj n SER 101 Cb 0.62 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 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 1.82 0.00 -0.10 1.43 0.63 -1.26 -5.00 116.66 114.18 2jqj n ARG 102 Ca -0.33 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.37 2jqj n ARG 102 Cb 0.50 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.30 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jqj n ASN 103 N -3.13 1.97 0.00 6.15 4.13 -1.26 -5.08 115.26 118.04 2jqj n ASN 103 Ca 0.00 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.47 2jqj n ASN 103 Cb 0.00 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 37.49 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 1.69 2.74 3.22 7.41 0.00 -1.26 -4.81 105.19 114.18 2jqj n GLY 104 Ca -0.44 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 2.31 -0.16 2.61 2.01 -1.26 0.39 115.64 121.53 2jqj s THR 105 Ca 0.00 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2jqj s THR 105 Cb 0.00 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.59 2jqj s THR 105 CO 0.00 0.54 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.92 2jqj s PHE 106 N 0.70 2.64 -0.10 4.92 0.40 0.06 -4.42 117.98 122.18 2jqj s PHE 106 Ca -0.09 -1.50 -0.02 0.00 -0.60 0.00 0.00 56.93 54.73 2jqj s PHE 106 Cb -0.16 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2jqj s PHE 106 CO 0.01 -0.74 -0.03 -1.50 0.70 0.00 0.00 175.22 173.67 2jqj s ILE 107 N 1.21 4.02 -1.72 0.64 1.10 -0.68 0.31 121.20 126.07 2jqj s ILE 107 Ca 0.02 -0.34 0.00 0.00 -0.51 0.00 0.00 60.65 59.82 2jqj s ILE 107 Cb -0.14 -2.70 0.00 0.00 0.15 0.00 0.00 42.46 39.78 2jqj s ILE 107 CO -0.10 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.89 2jqj n ASN 108 N 2.54 -5.49 0.00 4.50 5.03 0.18 -1.27 115.26 120.74 2jqj n ASN 108 Ca -0.18 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2jqj n ASN 108 Cb 0.53 -4.57 0.00 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 -0.94 0.31 3.12 7.41 0.00 -1.26 -4.99 105.19 108.84 2jqj n GLY 109 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 2jqj n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqj s ASN 110 N -2.03 1.20 0.15 1.61 2.20 -0.40 -5.11 114.94 112.56 2jqj s ASN 110 Ca 0.00 -0.66 -0.30 0.00 -0.94 0.00 0.00 52.86 50.96 2jqj s ASN 110 Cb 0.00 0.01 -0.08 0.00 -2.00 0.00 0.00 41.25 39.19 2jqj s ASN 110 CO 0.00 -0.21 1.25 -0.60 -2.94 0.00 0.00 177.10 174.60 2jqj s ARG 111 N -2.07 4.43 -0.01 3.55 3.52 -1.26 -1.69 118.95 125.42 2jqj s ARG 111 Ca -0.03 1.92 -0.21 0.00 -0.13 0.00 0.00 55.73 57.29 2jqj s ARG 111 Cb -0.07 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 2jqj s ARG 111 CO 0.00 -0.22 0.61 -0.48 -0.81 0.00 0.00 175.30 174.40 2jqj s LEU 112 N 0.28 4.41 -0.10 -0.88 0.05 -1.26 -4.94 118.68 116.25 2jqj s LEU 112 Ca 0.57 1.17 0.08 0.00 0.05 0.00 0.00 54.13 56.00 2jqj s LEU 112 Cb -0.33 -2.94 -0.12 0.00 -2.05 0.00 0.00 46.19 40.75 2jqj s LEU 112 CO 0.34 0.08 0.03 1.33 -0.55 0.00 0.00 176.35 177.59 2jqj n VAL 113 N 2.80 0.66 -2.34 1.48 0.24 -1.26 -5.02 118.33 114.89 2jqj n VAL 113 Ca -0.06 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.34 61.51 2jqj n VAL 113 Cb 0.51 -0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 32.11 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jqj s LYS 114 N -2.23 3.79 -0.07 7.34 -0.14 -1.26 -5.00 119.74 122.18 2jqj s LYS 114 Ca -0.05 1.05 -0.01 0.00 -1.36 0.00 0.00 55.97 55.61 2jqj s LYS 114 Cb 0.03 -2.11 -0.26 0.00 -1.68 0.00 0.00 37.83 33.81 2jqj s LYS 114 CO 0.39 -0.41 0.58 -0.22 -0.76 0.00 0.00 175.35 174.93 2jqj h LYS 115 N 0.89 0.20 -3.12 1.68 3.64 -1.95 -3.40 116.57 114.50 2jqj h LYS 115 Ca -0.47 -0.34 -0.78 0.00 -1.27 0.00 0.00 60.65 57.80 2jqj h LYS 115 Cb 1.20 0.13 -0.30 0.00 -0.41 0.00 0.00 32.23 32.84 2jqj h LYS 115 CO 0.60 1.00 0.46 -0.25 -2.27 0.00 0.00 179.45 178.99 2jqj n ASP 116 N -3.36 5.65 -4.77 4.20 8.00 -1.26 -4.28 116.55 120.72 2jqj n ASP 116 Ca -0.24 -3.26 -0.40 0.00 0.71 0.00 0.00 54.79 51.61 2jqj n ASP 116 Cb 1.05 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.11 3.89 -0.29 1.24 6.14 -1.16 -4.92 117.35 120.14 2jqj s TYR 117 Ca 0.31 1.64 -0.13 0.00 0.64 0.00 0.00 57.07 59.54 2jqj s TYR 117 Cb -0.01 -2.80 -0.04 0.00 0.42 0.00 0.00 41.96 39.53 2jqj s TYR 117 CO 0.01 0.47 0.26 -1.50 0.64 0.00 0.00 175.55 175.42 2jqj s ILE 118 N -0.96 5.26 -0.14 3.14 1.10 -1.26 -1.06 121.20 127.28 2jqj s ILE 118 Ca 0.37 0.21 -0.06 0.00 -0.51 0.00 0.00 60.65 60.66 2jqj s ILE 118 Cb -0.23 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.72 2jqj s ILE 118 CO 0.26 0.16 0.08 -0.22 -2.11 0.00 0.00 174.94 173.11 2jqj s LEU 119 N 1.86 3.97 0.40 8.50 0.20 0.13 -4.98 118.68 128.77 2jqj s LEU 119 Ca 0.09 0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.19 2jqj s LEU 119 Cb -0.16 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 2jqj s LEU 119 CO 0.11 0.31 0.14 -0.75 -0.29 0.00 0.00 176.35 175.87 2jqj s LYS 120 N -0.42 1.91 0.42 1.98 2.47 -1.26 -2.98 119.74 121.86 2jqj s LYS 120 Ca 0.10 -2.16 -0.24 0.00 -1.56 0.00 0.00 55.97 52.11 2jqj s LYS 120 Cb -0.12 -0.51 -0.10 0.00 -1.46 0.00 0.00 37.83 35.64 2jqj s LYS 120 CO 0.02 -0.50 1.02 0.27 0.16 0.00 0.00 175.35 176.32 2jqj n ASN 121 N -1.33 1.31 -2.33 1.43 6.94 -1.26 -2.93 115.26 117.09 2jqj n ASN 121 Ca -0.05 1.03 -0.12 0.00 -0.02 0.00 0.00 54.58 55.43 2jqj n ASN 121 Cb 0.65 -1.36 0.05 0.00 -2.36 0.00 0.00 39.78 36.75 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 1.17 0.05 3.30 4.83 0.00 -0.78 -5.01 105.19 108.75 2jqj n GLY 122 Ca 0.09 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.42 4.17 -0.27 1.61 1.11 -1.15 -4.96 116.67 113.75 2jqj s ASP 123 Ca 0.20 -0.40 -0.20 0.00 0.18 0.00 0.00 52.55 52.33 2jqj s ASP 123 Cb -0.09 -1.70 -0.02 0.00 1.07 0.00 0.00 42.92 42.18 2jqj s ASP 123 CO 0.42 0.00 0.60 -0.13 1.18 0.00 0.00 175.17 177.25 2jqj s ARG 124 N 1.33 4.02 -0.11 8.23 3.00 -1.26 -1.04 118.95 133.12 2jqj s ARG 124 Ca 0.04 0.40 0.01 0.00 0.00 0.00 0.00 55.73 56.19 2jqj s ARG 124 Cb -0.14 -3.68 -0.02 0.00 0.00 0.00 0.00 34.95 31.11 2jqj s ARG 124 CO -0.03 -0.46 -0.15 0.42 0.00 0.00 0.00 175.30 175.08 2jqj s ILE 125 N 2.50 2.91 -0.10 1.52 1.01 0.25 0.48 121.20 129.76 2jqj s ILE 125 Ca 0.25 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2jqj s ILE 125 Cb -0.15 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2jqj s ILE 125 CO 0.10 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.71 2jqj s VAL 126 N 0.13 2.64 -0.08 2.92 1.01 0.15 -0.52 120.40 126.64 2jqj s VAL 126 Ca -0.07 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2jqj s VAL 126 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2jqj s VAL 126 CO 0.05 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.12 2jqj s PHE 127 N 0.15 2.55 0.00 5.22 0.40 0.22 -0.76 117.98 125.76 2jqj s PHE 127 Ca -0.10 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2jqj s PHE 127 Cb -0.16 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.71 2jqj s PHE 127 CO 0.06 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.16 2jqj n GLY 128 N 3.12 1.96 0.00 4.36 0.00 0.16 -2.82 105.19 111.97 2jqj n GLY 128 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jqj n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqj n LYS 129 N 0.00 0.00 -0.09 1.61 5.02 -1.26 -4.37 118.16 119.08 2jqj n LYS 129 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2jqj n LYS 129 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jqj n SER 130 N 0.00 2.31 -4.54 4.39 3.41 -1.25 -4.93 113.62 113.01 2jqj n SER 130 Ca 0.00 -0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 2jqj n SER 130 Cb 0.00 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 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 9.92 2.56 0.04 0.00 0.15 -1.26 0.70 113.70 125.80 2jqj s SER 132 Ca 1.05 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 57.20 2jqj s SER 132 Cb -0.45 -1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.69 2jqj s SER 132 CO 0.35 0.02 0.04 0.72 1.20 0.00 0.00 173.24 175.57 2jqj s PHE 133 N 0.99 0.31 -0.05 3.44 -0.71 0.32 -0.43 117.98 121.86 2jqj s PHE 133 Ca -0.06 -0.70 0.05 0.00 -1.04 0.00 0.00 56.93 55.18 2jqj s PHE 133 Cb -0.15 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2jqj s PHE 133 CO -0.02 -0.35 -0.18 -1.17 -1.34 0.00 0.00 175.22 172.15 2jqj s LEU 134 N -2.33 2.49 -0.08 -1.99 0.20 0.15 0.85 118.68 117.97 2jqj s LEU 134 Ca -0.02 -0.31 -0.04 0.00 0.69 0.00 0.00 54.13 54.46 2jqj s LEU 134 Cb 0.01 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.25 2jqj s LEU 134 CO -0.06 0.32 0.08 0.12 -0.29 0.00 0.00 176.35 176.52 2jqj s PHE 135 N -0.58 3.38 -0.13 5.38 2.19 -0.20 -1.81 117.98 126.20 2jqj s PHE 135 Ca 0.08 0.33 -0.20 0.00 0.33 0.00 0.00 56.93 57.48 2jqj s PHE 135 Cb -0.11 -1.84 0.05 0.00 -1.31 0.00 0.00 43.02 39.81 2jqj s PHE 135 CO 0.01 0.60 0.51 0.15 1.83 0.00 0.00 175.22 178.32 2jqj s LYS 136 N -1.17 0.71 0.28 10.12 1.02 -1.14 -1.87 119.74 127.70 2jqj s LYS 136 Ca 0.17 0.47 -0.29 0.00 0.02 0.00 0.00 55.97 56.33 2jqj s LYS 136 Cb -0.12 0.34 -0.10 0.00 -0.52 0.00 0.00 37.83 37.43 2jqj s LYS 136 CO 0.06 -0.14 1.14 0.71 -0.92 0.00 0.00 175.35 176.20 2jqj s TYR 137 N -0.31 3.47 -0.32 3.18 2.02 -1.26 -2.47 117.35 121.67 2jqj s TYR 137 Ca -0.05 1.63 0.03 0.00 -0.37 0.00 0.00 57.07 58.32 2jqj s TYR 137 Cb -0.03 -3.37 0.09 0.00 -0.40 0.00 0.00 41.96 38.25 2jqj s TYR 137 CO 0.03 -0.83 0.00 0.00 -1.57 0.00 0.00 175.55 173.19 2jqj s ALA 138 N -1.10 2.80 0.54 3.71 0.00 -0.26 -4.89 121.76 122.57 2jqj s ALA 138 Ca 0.46 -2.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 2jqj s ALA 138 Cb -0.33 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 2jqj s ALA 138 CO 0.43 -1.52 0.83 -1.54 0.00 0.00 0.00 175.76 173.95 2jqj s SER 139 N 1.00 5.79 -0.10 0.00 1.04 -1.26 -4.47 113.70 115.70 2jqj s SER 139 Ca 0.04 0.67 0.05 0.00 0.48 0.00 0.00 55.95 57.19 2jqj s SER 139 Cb -0.19 -1.79 -0.09 0.00 0.10 0.00 0.00 66.02 64.04 2jqj s SER 139 CO -0.07 -0.88 -0.03 -1.20 0.98 0.00 0.00 173.24 172.04 2jqj n SER 140 N -2.41 2.94 -3.73 7.02 7.64 -1.26 -5.03 113.62 118.80 2jqj n SER 140 Ca 0.03 -0.03 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2jqj n SER 140 Cb 0.57 0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 63.97 2jqj n SER 140 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jqj s SER 141 N -4.54 -0.36 -0.03 6.43 0.15 -1.26 -5.04 113.70 109.05 2jqj s SER 141 Ca -0.09 0.66 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 2jqj s SER 141 Cb 0.03 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 2jqj s SER 141 CO 0.32 -0.15 -0.03 -0.24 1.20 0.00 0.00 173.24 174.34 2jqj n SER 142 N 3.81 3.24 -4.77 5.45 2.88 -1.26 -5.07 113.62 117.90 2jqj n SER 142 Ca -0.21 -0.01 -0.22 0.00 -1.33 0.00 0.00 58.87 57.10 2jqj n SER 142 Cb 0.55 -0.05 0.10 0.00 -0.75 0.00 0.00 64.21 64.07 2jqj n SER 142 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jqj s THR 143 N -2.05 2.05 -0.06 2.46 -4.23 -1.26 -5.11 115.64 107.44 2jqj s THR 143 Ca -0.04 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2jqj s THR 143 Cb 0.01 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.55 2jqj s THR 143 CO 0.06 0.00 -0.07 -1.81 -0.54 0.00 0.00 174.62 172.26 2jqj s ASP 144 N -4.76 1.33 0.00 3.99 1.01 -1.26 -5.13 116.67 111.85 2jqj s ASP 144 Ca 0.66 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.72 2jqj s ASP 144 Cb -0.05 -0.60 0.00 0.00 1.01 0.00 0.00 42.92 43.28 2jqj s ASP 144 CO 0.43 -0.03 0.00 -0.38 0.21 0.00 0.00 175.17 175.40 2jqj n ILE 145 N 4.06 0.00 -2.41 0.77 5.41 -1.26 -5.08 119.36 120.84 2jqj n ILE 145 Ca -0.23 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.50 2jqj n ILE 145 Cb 0.51 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.46 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 0.00 0.64 -3.18 0.38 4.07 -1.26 -5.01 120.64 116.28 2jqj n GLU 146 Ca 0.00 -1.64 -0.14 0.00 -0.06 0.00 0.00 57.16 55.32 2jqj n GLU 146 Cb 0.00 0.06 0.07 0.00 -0.06 0.00 0.00 31.44 31.51 2jqj n GLU 146 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jqj n ASN 147 N -0.43 -4.62 -4.49 4.31 4.13 -1.26 -4.97 115.26 107.94 2jqj n ASN 147 Ca -0.13 -0.62 -0.43 0.00 1.68 0.00 0.00 54.58 55.08 2jqj n ASN 147 Cb 0.86 -4.79 -0.08 0.00 -1.54 0.00 0.00 39.78 34.22 2jqj n ASN 147 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jqj s ASP 148 N -3.70 6.22 -0.40 6.41 2.15 -1.26 -4.92 116.67 121.16 2jqj s ASP 148 Ca 0.26 -0.65 0.05 0.00 0.43 0.00 0.00 52.55 52.64 2jqj s ASP 148 Cb -0.03 -2.24 0.57 0.00 -0.30 0.00 0.00 42.92 40.91 2jqj s ASP 148 CO 0.67 -0.63 1.71 0.47 -0.17 0.00 0.00 175.17 177.23 2jqj n ASP 149 N 5.73 3.72 -4.39 -0.34 8.00 -1.26 -4.88 116.55 123.14 2jqj n ASP 149 Ca -0.06 -3.72 -0.45 0.00 0.71 0.00 0.00 54.79 51.27 2jqj n ASP 149 Cb 0.47 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 2jqj n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jqj s GLU 150 N -3.36 3.76 -0.90 -1.24 2.56 -1.26 -4.98 118.70 113.27 2jqj s GLU 150 Ca 0.53 -2.36 -0.24 0.00 0.00 0.00 0.00 54.97 52.89 2jqj s GLU 150 Cb 0.45 -4.69 0.02 0.00 2.00 0.00 0.00 34.13 31.91 2jqj s GLU 150 CO 0.05 -1.51 1.54 0.15 -0.56 0.00 0.00 175.26 174.93 2jqj s LYS 151 N 0.97 3.23 -0.00 4.30 1.02 -1.26 -4.61 119.74 123.39 2jqj s LYS 151 Ca 0.28 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.64 2jqj s LYS 151 Cb -0.07 -4.96 -0.00 0.00 -0.52 0.00 0.00 37.83 32.27 2jqj s LYS 151 CO -0.08 -2.45 -0.00 1.33 -0.92 0.00 0.00 175.35 173.23 2jqj n VAL 152 N 6.98 0.00 -3.24 3.17 0.24 -1.26 -4.96 118.33 119.26 2jqj n VAL 152 Ca 0.27 -0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 62.13 2jqj n VAL 152 Cb 0.50 -0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 32.14 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 -4.17 6.19 -0.00 -1.34 1.04 -1.26 -5.00 113.70 109.17 2jqj s SER 153 Ca -0.00 -1.10 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 2jqj s SER 153 Cb 0.00 -2.25 0.10 0.00 0.10 0.00 0.00 66.02 63.97 2jqj s SER 153 CO 0.00 -0.81 1.09 -0.94 0.98 0.00 0.00 173.24 173.56 2jqj s SER 154 N 2.70 -0.18 -1.66 7.02 1.04 -1.26 -4.97 113.70 116.39 2jqj s SER 154 Ca 0.11 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 2jqj s SER 154 Cb -0.21 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2jqj s SER 154 CO 0.10 -0.53 0.19 -0.62 0.98 0.00 0.00 173.24 173.36 2jqj n GLU 155 N -0.35 -2.65 0.01 4.02 1.02 -1.26 -4.86 120.64 116.57 2jqj n GLU 155 Ca -0.06 0.95 -0.00 0.00 -0.02 0.00 0.00 57.16 58.03 2jqj n GLU 155 Cb 0.61 -5.64 -0.00 0.00 -0.02 0.00 0.00 31.44 26.39 2jqj n GLU 155 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jqj n SER 156 N -2.04 0.35 -3.01 1.62 7.64 -1.26 -5.04 113.62 111.88 2jqj n SER 156 Ca -0.20 0.04 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 2jqj n SER 156 Cb 0.66 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 2jqj n SER 156 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqj s ARG 157 N -1.31 0.94 -0.20 1.43 1.04 -1.26 -5.14 118.95 114.44 2jqj s ARG 157 Ca -0.00 -0.86 -0.28 0.00 -1.04 0.00 0.00 55.73 53.55 2jqj s ARG 157 Cb 0.00 -0.17 0.12 0.00 -2.04 0.00 0.00 34.95 32.87 2jqj s ARG 157 CO 0.00 -1.28 0.99 -1.54 -0.04 0.00 0.00 175.30 173.44 2jqj s SER 158 N 1.18 -0.42 0.00 -2.89 1.04 -1.26 -5.13 113.70 106.23 2jqj s SER 158 Ca 0.24 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2jqj s SER 158 Cb -0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2jqj s SER 158 CO -0.07 -0.28 0.22 0.00 0.98 0.00 0.00 173.24 174.10