#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqj s ARG 20 N 0.00 0.62 0.44 1.97 3.00 -1.26 -5.18 118.95 118.55 2jqj s ARG 20 Ca 0.00 -0.57 0.03 0.00 -1.00 0.00 0.00 55.73 54.19 2jqj s ARG 20 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 34.95 35.19 2jqj s ARG 20 CO 0.00 -0.17 0.08 -1.14 0.00 0.00 0.00 175.30 174.07 2jqj s GLN 21 N -2.23 2.02 0.28 5.12 0.74 -1.26 -5.17 119.66 119.16 2jqj s GLN 21 Ca -0.08 -2.25 0.02 0.00 0.05 0.00 0.00 55.36 53.10 2jqj s GLN 21 Cb -0.03 -0.96 0.02 0.00 1.10 0.00 0.00 33.01 33.14 2jqj s GLN 21 CO -0.02 -0.42 0.16 1.04 -0.55 0.00 0.00 175.29 175.49 2jqj n GLN 22 N -1.03 1.15 -3.84 1.67 3.00 -1.26 -4.76 117.38 112.31 2jqj n GLN 22 Ca -0.10 -1.84 -0.23 0.00 -0.01 0.00 0.00 57.00 54.82 2jqj n GLN 22 Cb 0.66 0.28 -0.07 0.00 0.00 0.00 0.00 30.24 31.11 2jqj n GLN 22 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2jqj n ARG 23 N -1.04 -0.93 0.08 -1.09 1.85 -1.26 -4.80 116.66 109.48 2jqj n ARG 23 Ca -0.04 0.06 -0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2jqj n ARG 23 Cb 0.33 -2.57 -0.04 0.00 -1.05 0.00 0.00 32.46 29.13 2jqj n ARG 23 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2jqj h SER 24 N -1.05 0.00 0.00 2.89 4.64 -2.04 -3.39 113.55 114.61 2jqj h SER 24 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2jqj h SER 24 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2jqj h SER 24 CO 0.51 0.62 0.00 0.59 -0.87 0.00 0.00 176.83 177.68 2jqj n ASN 25 N -3.11 0.00 -3.98 4.97 4.13 -1.26 -4.81 115.26 111.20 2jqj n ASN 25 Ca -0.03 0.95 -0.17 0.00 1.68 0.00 0.00 54.58 57.00 2jqj n ASN 25 Cb 0.82 -0.45 -0.15 0.00 -1.54 0.00 0.00 39.78 38.46 2jqj n ASN 25 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jqj s LYS 26 N -2.79 0.54 0.46 3.52 -0.14 -1.26 -5.14 119.74 114.94 2jqj s LYS 26 Ca 0.00 -0.23 -0.23 0.00 -1.36 0.00 0.00 55.97 54.16 2jqj s LYS 26 Cb 0.00 -0.53 -0.07 0.00 -1.68 0.00 0.00 37.83 35.55 2jqj s LYS 26 CO 0.00 0.13 1.15 -1.25 -0.76 0.00 0.00 175.35 174.62 2jqj s PRO 27 N -0.09 3.75 -1.10 -1.68 0.04 -1.26 -4.92 135.00 129.74 2jqj s PRO 27 Ca 0.02 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 2jqj s PRO 27 Cb -0.03 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2jqj s PRO 27 CO -0.00 -0.55 1.73 0.45 0.04 0.00 0.00 177.00 178.67 2jqj s SER 28 N -1.41 5.99 0.72 6.66 0.15 -1.26 -4.97 113.70 119.58 2jqj s SER 28 Ca 0.64 -1.58 -0.11 0.00 0.70 0.00 0.00 55.95 55.60 2jqj s SER 28 Cb -0.28 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.48 2jqj s SER 28 CO 0.33 -2.01 1.07 -0.55 1.20 0.00 0.00 173.24 173.28 2jqj s SER 29 N 5.78 5.15 0.14 5.45 0.15 -1.26 -5.00 113.70 124.11 2jqj s SER 29 Ca 0.58 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2jqj s SER 29 Cb -0.01 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2jqj s SER 29 CO 0.01 -1.58 0.00 1.21 1.20 0.00 0.00 173.24 174.08 2jqj n GLU 30 N -3.21 0.00 0.00 5.44 2.13 -1.26 -5.14 120.64 118.60 2jqj n GLU 30 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2jqj n GLU 30 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2jqj n TYR 31 N -2.94 0.00 -3.84 4.31 4.01 -1.26 -5.15 117.16 112.29 2jqj n TYR 31 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 2jqj n TYR 31 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 2jqj n TYR 31 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jqj s THR 32 N 2.82 -0.02 0.52 -0.72 -4.23 -1.26 -5.02 115.64 107.73 2jqj s THR 32 Ca 0.00 0.06 -0.23 0.00 -1.18 0.00 0.00 61.69 60.34 2jqj s THR 32 Cb 0.00 -0.04 -0.06 0.00 1.34 0.00 0.00 72.50 73.74 2jqj s THR 32 CO 0.00 0.02 1.39 0.00 -0.54 0.00 0.00 174.62 175.49 2jqj n LEU 34 N -0.73 0.00 -3.89 0.00 0.00 -1.08 -4.81 117.00 106.49 2jqj n LEU 34 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.01 2jqj n LEU 34 Cb 0.43 0.15 -0.02 0.00 0.00 0.00 0.00 43.42 43.99 2jqj n LEU 34 CO 0.55 -0.25 0.41 -0.83 0.00 0.00 0.00 177.39 177.28 2jqj s GLY 35 N -2.47 0.25 0.14 -3.96 0.00 -1.00 0.90 107.32 101.17 2jqj s GLY 35 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.14 2jqj s GLY 35 CO 0.00 -0.30 -0.06 0.30 0.00 0.00 0.00 173.10 173.03 2jqj s HIS 36 N -3.46 1.16 -0.25 1.90 3.76 -0.43 0.07 115.29 118.03 2jqj s HIS 36 Ca 0.16 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 2jqj s HIS 36 Cb -0.04 -0.63 0.07 0.00 1.11 0.00 0.00 32.58 33.08 2jqj s HIS 36 CO 0.09 -0.05 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.41 2jqj s LEU 37 N -3.14 2.52 -0.25 0.89 1.43 0.14 -2.85 118.68 117.42 2jqj s LEU 37 Ca 0.17 -1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 51.87 2jqj s LEU 37 Cb 0.04 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 2jqj s LEU 37 CO 0.00 -0.28 0.32 -0.69 0.23 0.00 0.00 176.35 175.93 2jqj s VAL 38 N 1.44 5.23 -0.27 -1.59 1.01 -1.11 -0.94 120.40 124.17 2jqj s VAL 38 Ca -0.02 0.47 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 2jqj s VAL 38 Cb -0.18 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2jqj s VAL 38 CO -0.09 0.22 0.61 0.20 0.00 0.00 0.00 175.10 176.04 2jqj s ASN 39 N 1.46 6.54 -0.55 3.32 0.01 0.14 -1.60 114.94 124.25 2jqj s ASN 39 Ca 0.13 0.62 -0.28 0.00 -0.71 0.00 0.00 52.86 52.62 2jqj s ASN 39 Cb -0.15 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.21 2jqj s ASN 39 CO 0.09 -0.38 1.23 -0.76 -1.51 0.00 0.00 177.10 175.76 2jqj s LEU 40 N 2.50 3.48 -0.02 0.60 1.43 -0.68 -3.07 118.68 122.91 2jqj s LEU 40 Ca 0.25 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2jqj s LEU 40 Cb -0.15 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 2jqj s LEU 40 CO 0.09 -1.48 -0.20 -0.63 0.23 0.00 0.00 176.35 174.36 2jqj s ILE 41 N 5.05 1.61 -0.87 -0.59 1.01 -1.26 -4.78 121.20 121.38 2jqj s ILE 41 Ca 0.46 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 60.05 2jqj s ILE 41 Cb -0.08 -1.35 -0.23 0.00 0.01 0.00 0.00 42.46 40.82 2jqj s ILE 41 CO 0.27 0.46 2.32 -2.65 0.00 0.00 0.00 174.94 175.34 2jqj n PRO 42 N 2.66 0.32 0.00 2.79 -0.02 -1.26 -3.92 135.00 135.56 2jqj n PRO 42 Ca -0.16 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 2jqj n PRO 42 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 6.18 1.35 0.00 -1.23 0.00 -1.26 -5.04 105.19 105.19 2jqj n GLY 43 Ca 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2jqj n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 44 N 0.00 -0.84 -3.67 1.61 4.81 -1.25 -5.07 118.16 113.74 2jqj n LYS 44 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2jqj n LYS 44 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2jqj s GLU 45 N -2.03 0.69 -0.23 1.64 2.02 -1.26 -4.15 118.70 115.38 2jqj s GLU 45 Ca 0.00 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.60 2jqj s GLU 45 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.55 2jqj s GLU 45 CO 0.00 -0.11 -0.01 -0.65 0.02 0.00 0.00 175.26 174.51 2jqj s GLN 46 N 0.03 3.45 -0.18 1.61 -0.21 -1.18 -4.98 119.66 118.21 2jqj s GLN 46 Ca -0.02 -0.59 -0.03 0.00 0.02 0.00 0.00 55.36 54.74 2jqj s GLN 46 Cb -0.04 -3.09 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 2jqj s GLN 46 CO 0.02 -0.19 -0.05 0.15 -2.12 0.00 0.00 175.29 173.10 2jqj s LYS 47 N 1.49 3.53 0.03 2.91 1.02 -1.26 0.26 119.74 127.72 2jqj s LYS 47 Ca 0.06 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 55.54 2jqj s LYS 47 Cb -0.14 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2jqj s LYS 47 CO -0.01 0.07 -0.20 0.08 -0.92 0.00 0.00 175.35 174.36 2jqj s VAL 48 N 0.80 2.60 -0.12 3.17 1.01 -0.12 -4.96 120.40 122.78 2jqj s VAL 48 Ca -0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 2jqj s VAL 48 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2jqj s VAL 48 CO 0.02 0.39 0.40 -1.61 0.00 0.00 0.00 175.10 174.29 2jqj s GLU 49 N -1.25 4.26 -0.20 2.72 2.02 -1.26 -0.69 118.70 124.30 2jqj s GLU 49 Ca 0.13 0.31 -0.04 0.00 0.02 0.00 0.00 54.97 55.39 2jqj s GLU 49 Cb -0.10 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 2jqj s GLU 49 CO 0.03 0.25 -0.04 0.42 0.02 0.00 0.00 175.26 175.94 2jqj s ILE 50 N 0.37 3.48 0.39 -1.63 -1.09 0.11 -4.93 121.20 117.90 2jqj s ILE 50 Ca 0.22 -0.47 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 2jqj s ILE 50 Cb -0.14 -2.57 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2jqj s ILE 50 CO 0.08 0.44 0.46 0.42 -1.23 0.00 0.00 174.94 175.11 2jqj s THR 51 N 1.22 3.24 -1.21 2.92 -4.23 -1.26 -2.38 115.64 113.95 2jqj s THR 51 Ca 0.03 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2jqj s THR 51 Cb -0.14 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.79 2jqj s THR 51 CO -0.01 -0.06 1.69 -0.46 -0.54 0.00 0.00 174.62 175.23 2jqj n ASN 52 N -1.66 5.54 -1.56 3.99 0.23 -1.05 -4.69 115.26 116.04 2jqj n ASN 52 Ca 0.04 -3.19 0.08 0.00 -0.53 0.00 0.00 54.58 50.98 2jqj n ASN 52 Cb 0.60 -1.42 0.34 0.00 -2.08 0.00 0.00 39.78 37.22 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 3.17 3.73 0.00 -3.83 1.85 -1.26 -4.84 116.66 115.48 2jqj n ARG 53 Ca 0.35 -2.72 0.00 0.00 -1.00 0.00 0.00 57.85 54.47 2jqj n ARG 53 Cb 0.36 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 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 0.99 0.00 -3.88 2.89 2.85 -0.86 -4.81 115.26 112.44 2jqj n ASN 54 Ca 0.24 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.55 2jqj n ASN 54 Cb 0.89 -0.02 -0.15 0.00 1.24 0.00 0.00 39.78 41.74 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 -0.03 0.27 -0.13 3.44 1.01 -1.26 -2.24 120.40 121.47 2jqj s VAL 55 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2jqj s VAL 55 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.10 2jqj s VAL 55 CO 0.00 0.12 -0.14 -0.89 0.00 0.00 0.00 175.10 174.19 2jqj s THR 56 N 0.48 1.51 -0.15 3.92 2.01 0.53 -4.87 115.64 119.07 2jqj s THR 56 Ca -0.05 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 2jqj s THR 56 Cb -0.08 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2jqj s THR 56 CO -0.01 0.45 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jqj s THR 57 N 1.26 4.79 -0.21 -0.82 -4.23 -1.26 0.61 115.64 115.78 2jqj s THR 57 Ca -0.00 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2jqj s THR 57 Cb -0.14 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.62 2jqj s THR 57 CO -0.06 0.52 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.76 2jqj s ILE 58 N -0.15 2.24 -0.80 2.99 1.09 -0.64 0.12 121.20 126.05 2jqj s ILE 58 Ca 0.07 -1.14 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 2jqj s ILE 58 Cb -0.12 -2.08 0.00 0.00 -1.06 0.00 0.00 42.46 39.20 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 4.58 -0.81 0.08 6.18 0.00 -1.06 -3.09 105.19 111.07 2jqj n GLY 59 Ca -0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 2jqj n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqj n ARG 60 N 0.00 0.71 -1.68 1.61 1.85 -1.23 -2.79 116.66 115.12 2jqj n ARG 60 Ca 0.00 -0.05 -0.51 0.00 -1.00 0.00 0.00 57.85 56.29 2jqj n ARG 60 Cb 0.00 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 29.84 2jqj n ARG 60 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jqj n SER 61 N -2.63 3.08 0.05 2.89 7.64 -1.26 -4.82 113.62 118.58 2jqj n SER 61 Ca -0.26 1.01 0.19 0.00 1.01 0.00 0.00 58.87 60.83 2jqj n SER 61 Cb 1.02 -1.31 0.72 0.00 -1.01 0.00 0.00 64.21 63.62 2jqj n SER 61 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2jqj h ARG 62 N 8.24 0.00 0.00 1.43 0.11 -1.97 0.31 114.38 122.49 2jqj h ARG 62 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 2jqj h ARG 62 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 2jqj h ARG 62 CO 0.94 0.00 -0.25 1.03 0.10 0.00 0.00 179.97 181.79 2jqj h SER 63 N 0.00 0.00 -3.73 0.08 0.87 -1.99 -3.45 113.55 105.33 2jqj h SER 63 Ca 0.21 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.24 2jqj h SER 63 Cb 0.91 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 63.07 2jqj h SER 63 CO -0.00 0.25 -0.22 0.00 -0.53 0.00 0.00 176.83 176.33 2jqj h ASP 65 N -1.45 -0.06 -3.29 0.00 1.82 0.49 -3.45 116.42 110.49 2jqj h ASP 65 Ca -0.44 -0.58 -0.61 0.00 -0.39 0.00 0.00 57.03 55.02 2jqj h ASP 65 Cb 1.29 0.02 -0.14 0.00 0.68 0.00 0.00 39.33 41.18 2jqj h ASP 65 CO 0.38 0.65 -0.52 -0.69 -1.61 0.00 0.00 179.24 177.45 2jqj s VAL 66 N -2.79 5.13 -0.23 2.25 1.01 0.33 -4.89 120.40 121.21 2jqj s VAL 66 Ca -0.14 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 2jqj s VAL 66 Cb -0.01 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2jqj s VAL 66 CO 0.52 0.45 0.16 0.27 0.00 0.00 0.00 175.10 176.50 2jqj s ILE 67 N 0.38 5.36 0.00 2.22 -4.36 -1.26 -2.55 121.20 120.99 2jqj s ILE 67 Ca 0.06 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.65 2jqj s ILE 67 Cb -0.12 -3.50 0.00 0.00 1.25 0.00 0.00 42.46 40.09 2jqj s ILE 67 CO -0.01 0.36 0.00 0.18 0.24 0.00 0.00 174.94 175.71 2jqj n LEU 68 N 4.17 0.00 -0.32 0.37 4.32 -1.12 -4.99 117.00 119.43 2jqj n LEU 68 Ca -0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.78 2jqj n LEU 68 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.27 2jqj n LEU 68 CO 0.35 -0.06 0.39 -1.20 -1.22 0.00 0.00 177.39 175.66 2jqj n SER 69 N -0.60 -0.74 0.00 -1.43 7.64 -1.26 -4.87 113.62 112.36 2jqj n SER 69 Ca 0.00 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.26 2jqj n SER 69 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2jqj n SER 69 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jqj n GLU 70 N -5.02 0.00 0.06 1.43 0.00 -1.26 -4.83 120.64 111.01 2jqj n GLU 70 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.17 2jqj n GLU 70 Cb 0.23 0.00 0.23 0.00 0.00 0.00 0.00 31.44 31.90 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2jqj h PRO 71 N 0.00 0.36 -0.26 5.31 0.13 -1.98 -3.08 132.00 132.48 2jqj h PRO 71 Ca 0.00 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2jqj h PRO 71 Cb 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 2jqj h PRO 71 CO 0.00 0.64 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.15 2jqj n ASP 72 N -4.09 3.53 -4.26 1.44 8.00 -1.26 -4.97 116.55 114.94 2jqj n ASP 72 Ca -0.01 -3.15 -0.32 0.00 0.71 0.00 0.00 54.79 52.02 2jqj n ASP 72 Cb 0.43 -0.55 -0.16 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 -2.91 2.43 0.22 0.53 1.10 -1.17 -4.99 121.20 116.42 2jqj s ILE 73 Ca 0.42 -0.88 -0.31 0.00 -0.51 0.00 0.00 60.65 59.37 2jqj s ILE 73 Cb 0.35 -1.97 -0.10 0.00 0.15 0.00 0.00 42.46 40.88 2jqj s ILE 73 CO 0.07 0.54 1.54 -0.44 -2.11 0.00 0.00 174.94 174.54 2jqj s SER 74 N 0.46 6.55 0.43 4.50 0.01 -1.26 -3.93 113.70 120.45 2jqj s SER 74 Ca -0.14 2.72 0.09 0.00 1.31 0.00 0.00 55.95 59.93 2jqj s SER 74 Cb -0.17 -2.61 0.93 0.00 0.21 0.00 0.00 66.02 64.38 2jqj s SER 74 CO 0.06 -0.81 2.07 0.74 0.41 0.00 0.00 173.24 175.70 2jqj h THR 75 N 3.71 1.08 -0.27 1.44 2.02 -1.92 -1.92 112.91 117.05 2jqj h THR 75 Ca -0.45 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2jqj h THR 75 Cb 1.21 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2jqj h THR 75 CO 0.85 0.09 0.00 0.49 0.37 0.00 0.00 175.52 177.31 2jqj n PHE 76 N -4.48 0.57 -0.00 3.16 3.72 -1.26 -4.43 117.46 114.73 2jqj n PHE 76 Ca 0.03 -0.65 -0.00 0.00 -0.05 0.00 0.00 57.45 56.77 2jqj n PHE 76 Cb 0.08 -0.13 -0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.02 -0.00 -3.65 1.38 -0.00 -0.72 -4.52 115.22 107.68 2jqj n HIS 77 Ca 0.14 0.01 -0.10 0.00 0.46 0.00 0.00 57.72 58.22 2jqj n HIS 77 Cb 0.58 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 30.34 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 -3.18 -0.88 -0.05 1.57 0.00 -1.18 -2.71 121.76 115.34 2jqj s ALA 78 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2jqj s ALA 78 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2jqj s ALA 78 CO 0.00 -0.62 -0.16 -2.00 0.00 0.00 0.00 175.76 172.98 2jqj s GLU 79 N -3.73 1.78 -0.09 0.00 2.12 -0.12 -1.62 118.70 117.05 2jqj s GLU 79 Ca 0.03 -0.57 0.04 0.00 0.36 0.00 0.00 54.97 54.83 2jqj s GLU 79 Cb 0.02 -1.52 -0.00 0.00 0.26 0.00 0.00 34.13 32.88 2jqj s GLU 79 CO -0.11 0.20 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.51 2jqj s PHE 80 N 0.16 2.55 -0.33 5.30 0.40 0.20 -1.51 117.98 124.76 2jqj s PHE 80 Ca -0.06 -0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 55.18 2jqj s PHE 80 Cb -0.12 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2jqj s PHE 80 CO 0.03 -0.34 0.46 -1.01 0.70 0.00 0.00 175.22 175.05 2jqj s HIS 81 N 0.20 3.21 -0.37 0.36 3.76 -1.08 0.20 115.29 121.57 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 -1.17 -0.85 0.00 0.00 174.74 172.53 2jqj s LEU 82 N 2.25 4.61 -0.02 0.89 2.96 -0.95 -2.07 118.68 126.35 2jqj s LEU 82 Ca 0.17 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 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 -0.38 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.32 2jqj s LEU 83 N 1.49 2.05 -0.16 -0.68 0.20 -1.14 -2.02 118.68 118.42 2jqj s LEU 83 Ca 0.01 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.40 2jqj s LEU 83 Cb -0.20 -1.20 -0.00 0.00 -0.43 0.00 0.00 46.19 44.36 2jqj s LEU 83 CO 0.05 0.29 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.66 2jqj s GLN 84 N -0.56 3.22 -0.02 1.98 0.74 -1.26 -3.05 119.66 120.71 2jqj s GLN 84 Ca 0.09 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.76 2jqj s GLN 84 Cb -0.09 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.40 2jqj s GLN 84 CO -0.01 0.00 0.00 1.41 -0.55 0.00 0.00 175.29 176.15 2jqj s MET 85 N 0.85 0.13 -0.14 1.67 1.75 -1.17 -5.05 119.30 117.34 2jqj s MET 85 Ca -0.05 0.07 -0.04 0.00 -1.25 0.00 0.00 55.69 54.42 2jqj s MET 85 Cb -0.15 -0.28 -0.03 0.00 2.84 0.00 0.00 34.83 37.20 2jqj s MET 85 CO -0.01 -0.09 -0.00 0.16 -0.65 0.00 0.00 175.02 174.44 2jqj s ASP 86 N 0.67 5.15 -0.02 1.11 1.47 -1.26 -1.81 116.67 121.97 2jqj s ASP 86 Ca -0.06 0.02 0.01 0.00 1.18 0.00 0.00 52.55 53.70 2jqj s ASP 86 Cb -0.09 -1.71 0.01 0.00 -0.34 0.00 0.00 42.92 40.79 2jqj s ASP 86 CO -0.02 0.25 -0.04 -0.69 0.68 0.00 0.00 175.17 175.35 2jqj s VAL 87 N -0.10 0.40 0.00 2.11 1.01 -1.05 -4.90 120.40 117.88 2jqj s VAL 87 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2jqj s VAL 87 Cb -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2jqj s VAL 87 CO 0.02 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.61 2jqj n ASP 88 N 3.59 0.00 0.00 3.32 2.03 -1.26 -3.18 116.55 121.05 2jqj n ASP 88 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2jqj n ASP 88 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2jqj n ASP 88 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jqj n ASN 89 N 2.88 0.00 -4.83 1.67 0.23 -1.26 -5.14 115.26 108.81 2jqj n ASN 89 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 2jqj n ASN 89 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2jqj s PHE 90 N -0.92 3.57 -0.09 -2.53 0.08 -1.19 -5.06 117.98 111.83 2jqj s PHE 90 Ca 0.00 1.28 -0.11 0.00 0.12 0.00 0.00 56.93 58.22 2jqj s PHE 90 Cb 0.00 -2.55 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 2jqj s PHE 90 CO 0.00 0.29 0.26 1.14 -0.10 0.00 0.00 175.22 176.81 2jqj s GLN 91 N -2.25 3.78 0.03 0.44 -2.07 -1.26 -2.52 119.66 115.81 2jqj s GLN 91 Ca 0.45 0.09 0.06 0.00 -1.82 0.00 0.00 55.36 54.14 2jqj s GLN 91 Cb -0.15 -3.25 -0.03 0.00 -1.09 0.00 0.00 33.01 28.49 2jqj s GLN 91 CO 0.20 0.64 -0.14 1.03 -1.32 0.00 0.00 175.29 175.69 2jqj s ARG 92 N -0.73 2.25 -0.20 9.60 0.52 -0.75 -5.00 118.95 124.64 2jqj s ARG 92 Ca 0.18 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2jqj s ARG 92 Cb -0.14 -2.30 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 2jqj s ARG 92 CO 0.07 0.56 -0.09 -0.80 0.02 0.00 0.00 175.30 175.06 2jqj s ASN 93 N -1.43 3.99 -0.10 0.23 -0.87 -1.26 -3.06 114.94 112.44 2jqj s ASN 93 Ca 0.16 -0.44 0.02 0.00 -1.57 0.00 0.00 52.86 51.02 2jqj s ASN 93 Cb -0.11 -1.66 -0.01 0.00 -0.02 0.00 0.00 41.25 39.45 2jqj s ASN 93 CO 0.06 0.01 -0.16 -0.22 -2.57 0.00 0.00 177.10 174.22 2jqj s LEU 94 N 1.28 2.55 -0.00 0.60 0.20 -1.17 -4.88 118.68 117.25 2jqj s LEU 94 Ca 0.03 -0.36 0.07 0.00 0.69 0.00 0.00 54.13 54.57 2jqj s LEU 94 Cb -0.14 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2jqj s LEU 94 CO -0.04 0.21 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.37 2jqj s ILE 95 N 0.05 1.84 0.01 6.68 1.09 -1.11 -2.89 121.20 126.87 2jqj s ILE 95 Ca -0.06 -1.05 0.05 0.00 -1.10 0.00 0.00 60.65 58.49 2jqj s ILE 95 Cb -0.15 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.68 2jqj s ILE 95 CO 0.05 0.47 -0.13 0.21 -0.10 0.00 0.00 174.94 175.43 2jqj s ASN 96 N -0.68 4.13 -0.21 3.58 2.47 -0.88 0.84 114.94 124.19 2jqj s ASN 96 Ca 0.09 -0.29 -0.05 0.00 0.42 0.00 0.00 52.86 53.03 2jqj s ASN 96 Cb -0.09 -0.82 -0.02 0.00 -1.45 0.00 0.00 41.25 38.87 2jqj s ASN 96 CO -0.00 0.28 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.96 2jqj s VAL 97 N -0.92 3.84 -0.10 -5.21 1.01 0.26 -2.63 120.40 116.65 2jqj s VAL 97 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2jqj s VAL 97 Cb -0.11 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2jqj s VAL 97 CO 0.05 0.42 -0.08 -0.63 0.00 0.00 0.00 175.10 174.86 2jqj s ILE 98 N 1.20 0.97 -0.09 2.22 1.01 -0.57 -2.77 121.20 123.16 2jqj s ILE 98 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 2jqj s ILE 98 Cb -0.15 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2jqj s ILE 98 CO 0.01 0.35 -0.01 1.51 0.00 0.00 0.00 174.94 176.79 2jqj s ASP 99 N 1.50 5.09 0.00 3.58 -4.77 -1.26 -0.94 116.67 119.87 2jqj s ASP 99 Ca 0.01 0.08 0.25 0.00 -3.30 0.00 0.00 52.55 49.59 2jqj s ASP 99 Cb -0.13 -1.46 0.51 0.00 -1.09 0.00 0.00 42.92 40.75 2jqj s ASP 99 CO -0.05 0.35 1.41 0.29 0.70 0.00 0.00 175.17 177.87 2jqj n LYS 100 N 2.35 0.73 -3.34 2.11 4.76 -1.10 -4.96 118.16 118.71 2jqj n LYS 100 Ca -0.18 -0.49 -0.18 0.00 -2.87 0.00 0.00 58.31 54.59 2jqj n LYS 100 Cb 0.53 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.30 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 -0.71 -4.12 -0.10 4.39 7.64 -1.26 -4.95 113.62 114.51 2jqj n SER 101 Ca 0.10 -0.49 -0.24 0.00 1.01 0.00 0.00 58.87 59.26 2jqj n SER 101 Cb 0.37 -4.38 -0.12 0.00 -1.01 0.00 0.00 64.21 59.07 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 -4.03 0.63 0.00 1.43 0.63 -1.26 -4.85 116.66 109.20 2jqj n ARG 102 Ca -0.10 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 2jqj n ARG 102 Cb 0.59 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.89 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 -3.93 2.05 0.00 6.15 4.13 -1.26 -5.08 115.26 117.32 2jqj n ASN 103 Ca -0.42 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.84 2jqj n ASN 103 Cb 0.89 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.13 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 2.96 3.19 3.29 7.41 0.00 -1.26 -4.89 105.19 115.89 2jqj n GLY 104 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 2.98 -0.17 2.61 2.01 -1.26 -0.69 115.64 121.12 2jqj s THR 105 Ca 0.00 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2jqj s THR 105 Cb 0.00 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.22 2jqj s THR 105 CO 0.00 0.48 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.86 2jqj s PHE 106 N 1.09 2.63 -0.13 4.92 0.40 0.09 -4.24 117.98 122.73 2jqj s PHE 106 Ca 0.00 -1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 54.74 2jqj s PHE 106 Cb -0.15 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 2jqj s PHE 106 CO -0.02 -0.77 0.08 -1.50 0.70 0.00 0.00 175.22 173.71 2jqj s ILE 107 N 1.30 5.01 -1.63 0.64 1.10 0.03 -0.20 121.20 127.46 2jqj s ILE 107 Ca 0.04 0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.20 2jqj s ILE 107 Cb -0.13 -3.19 0.00 0.00 0.15 0.00 0.00 42.46 39.29 2jqj s ILE 107 CO -0.12 0.57 0.06 0.59 -2.11 0.00 0.00 174.94 173.93 2jqj n ASN 108 N 2.45 -5.58 -0.09 4.50 5.03 0.14 -1.25 115.26 120.46 2jqj n ASN 108 Ca -0.19 -0.04 -0.01 0.00 0.87 0.00 0.00 54.58 55.21 2jqj n ASN 108 Cb 0.54 -4.60 -0.00 0.00 -1.02 0.00 0.00 39.78 34.70 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 -1.07 0.39 3.11 7.41 0.00 -1.26 -4.99 105.19 108.78 2jqj n GLY 109 Ca -0.22 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.12 1.18 0.23 1.61 0.01 -0.38 -5.10 114.94 110.36 2jqj s ASN 110 Ca 0.00 -0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 51.25 2jqj s ASN 110 Cb 0.00 0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2jqj s ASN 110 CO 0.00 -0.17 1.10 -0.60 -1.51 0.00 0.00 177.10 175.92 2jqj s ARG 111 N -1.77 4.62 -0.14 -0.60 3.52 -1.26 -0.79 118.95 122.53 2jqj s ARG 111 Ca -0.06 1.76 -0.10 0.00 -0.13 0.00 0.00 55.73 57.20 2jqj s ARG 111 Cb -0.09 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2jqj s ARG 111 CO 0.01 0.15 0.19 -0.48 -0.81 0.00 0.00 175.30 174.36 2jqj s LEU 112 N -0.90 4.31 -0.15 -0.88 2.34 -1.26 -4.91 118.68 117.23 2jqj s LEU 112 Ca 0.47 0.45 0.04 0.00 0.06 0.00 0.00 54.13 55.15 2jqj s LEU 112 Cb -0.31 -2.19 -0.12 0.00 -0.56 0.00 0.00 46.19 43.02 2jqj s LEU 112 CO 0.38 0.27 -0.09 0.55 -1.06 0.00 0.00 176.35 176.39 2jqj n VAL 113 N 2.77 0.92 -1.65 1.48 3.14 -1.26 -5.01 118.33 118.72 2jqj n VAL 113 Ca -0.17 -0.41 -0.36 0.00 -2.96 0.00 0.00 64.34 60.45 2jqj n VAL 113 Cb 0.53 -0.96 0.08 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 -2.32 2.42 -0.45 1.45 2.20 -1.26 -4.92 119.74 116.86 2jqj s LYS 114 Ca -0.18 1.94 0.03 0.00 -0.36 0.00 0.00 55.97 57.40 2jqj s LYS 114 Cb 0.05 -1.85 0.62 0.00 -1.51 0.00 0.00 37.83 35.15 2jqj s LYS 114 CO 0.42 -1.66 1.89 1.63 -0.36 0.00 0.00 175.35 177.27 2jqj n LYS 115 N -2.19 2.23 -2.69 4.03 4.01 -1.26 -4.43 118.16 117.86 2jqj n LYS 115 Ca 0.15 -2.91 -0.06 0.00 -0.51 0.00 0.00 58.31 54.99 2jqj n LYS 115 Cb 0.49 -2.14 0.10 0.00 -0.51 0.00 0.00 35.03 32.97 2jqj n LYS 115 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jqj n ASP 116 N -1.06 -1.70 -4.74 4.39 2.03 -1.26 -4.96 116.55 109.26 2jqj n ASP 116 Ca 0.58 -2.63 -0.41 0.00 0.52 0.00 0.00 54.79 52.85 2jqj n ASP 116 Cb 1.54 1.47 -0.04 0.00 -0.72 0.00 0.00 41.12 43.38 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2jqj s TYR 117 N 0.14 3.47 -0.32 -0.67 1.51 -1.12 -4.84 117.35 115.53 2jqj s TYR 117 Ca 0.21 1.51 -0.13 0.00 -1.01 0.00 0.00 57.07 57.65 2jqj s TYR 117 Cb 0.29 -3.39 -0.02 0.00 -0.11 0.00 0.00 41.96 38.73 2jqj s TYR 117 CO -0.14 -1.00 0.28 -1.50 -1.11 0.00 0.00 175.55 172.08 2jqj s ILE 118 N -0.37 5.25 -0.01 2.71 -1.16 -1.26 0.92 121.20 127.28 2jqj s ILE 118 Ca 0.50 0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.63 2jqj s ILE 118 Cb -0.32 -3.71 -0.04 0.00 0.61 0.00 0.00 42.46 39.00 2jqj s ILE 118 CO 0.38 0.04 0.15 -0.22 -2.81 0.00 0.00 174.94 172.48 2jqj s LEU 119 N 1.84 4.22 0.38 8.50 0.20 0.25 -4.96 118.68 129.11 2jqj s LEU 119 Ca 0.09 0.28 0.05 0.00 0.69 0.00 0.00 54.13 55.24 2jqj s LEU 119 Cb -0.17 -2.50 -0.03 0.00 -0.43 0.00 0.00 46.19 43.07 2jqj s LEU 119 CO 0.11 0.27 0.18 -0.54 -0.29 0.00 0.00 176.35 176.07 2jqj s LYS 120 N -1.87 1.85 0.39 1.98 -0.14 -1.26 -2.75 119.74 117.93 2jqj s LYS 120 Ca 0.26 -2.11 -0.26 0.00 -1.36 0.00 0.00 55.97 52.50 2jqj s LYS 120 Cb -0.12 -0.28 -0.11 0.00 -1.68 0.00 0.00 37.83 35.64 2jqj s LYS 120 CO 0.17 -0.53 1.27 0.27 -0.76 0.00 0.00 175.35 175.77 2jqj n ASN 121 N -1.34 2.58 -2.14 2.83 0.23 -1.26 -3.10 115.26 113.05 2jqj n ASN 121 Ca -0.01 1.14 -0.10 0.00 -0.53 0.00 0.00 54.58 55.08 2jqj n ASN 121 Cb 0.64 -1.49 0.04 0.00 -2.08 0.00 0.00 39.78 36.90 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 0.81 0.10 3.12 4.83 0.00 0.17 -4.97 105.19 109.26 2jqj n GLY 122 Ca 0.06 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.49 3.10 -0.16 1.61 1.11 -1.16 -4.93 116.67 112.75 2jqj s ASP 123 Ca 0.10 -0.63 -0.25 0.00 0.18 0.00 0.00 52.55 51.96 2jqj s ASP 123 Cb -0.05 -1.46 -0.02 0.00 1.07 0.00 0.00 42.92 42.47 2jqj s ASP 123 CO 0.36 0.01 0.79 -0.60 1.18 0.00 0.00 175.17 176.91 2jqj s ARG 124 N 1.23 4.31 -0.06 8.23 3.00 -1.26 -1.42 118.95 132.98 2jqj s ARG 124 Ca 0.03 0.96 0.06 0.00 -1.00 0.00 0.00 55.73 55.77 2jqj s ARG 124 Cb -0.13 -3.56 -0.01 0.00 0.00 0.00 0.00 34.95 31.25 2jqj s ARG 124 CO -0.11 -0.27 -0.23 0.42 0.00 0.00 0.00 175.30 175.11 2jqj s ILE 125 N 1.94 1.90 -0.16 4.11 1.09 -0.02 0.27 121.20 130.33 2jqj s ILE 125 Ca 0.37 -0.98 -0.00 0.00 -1.10 0.00 0.00 60.65 58.94 2jqj s ILE 125 Cb -0.17 -1.61 -0.00 0.00 -1.06 0.00 0.00 42.46 39.62 2jqj s ILE 125 CO 0.13 0.53 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.67 2jqj s VAL 126 N -0.10 2.75 -0.26 2.92 1.01 0.72 -1.55 120.40 125.90 2jqj s VAL 126 Ca -0.04 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2jqj s VAL 126 Cb -0.13 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.12 2jqj s VAL 126 CO 0.03 0.51 -0.07 -0.36 0.00 0.00 0.00 175.10 175.21 2jqj s PHE 127 N 0.82 3.12 0.00 5.22 0.40 -0.23 -0.73 117.98 126.59 2jqj s PHE 127 Ca -0.05 -1.79 0.00 0.00 -0.60 0.00 0.00 56.93 54.49 2jqj s PHE 127 Cb -0.15 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.35 2jqj s PHE 127 CO -0.00 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 175.55 2jqj n GLY 128 N 4.61 1.81 2.03 4.36 0.00 0.13 -3.26 105.19 114.86 2jqj n GLY 128 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 2jqj n GLY 128 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 129 N -2.00 -0.10 0.00 1.61 4.81 -1.26 -4.87 118.16 116.36 2jqj n LYS 129 Ca 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2jqj n LYS 129 Cb 0.00 -3.70 0.00 0.00 0.02 0.00 0.00 35.03 31.35 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jqj n SER 130 N 1.77 0.00 -4.49 3.14 3.41 -1.25 -5.05 113.62 111.16 2jqj n SER 130 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 2jqj n SER 130 Cb 0.44 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqj s SER 132 N 1.84 2.83 0.04 0.00 1.04 -1.26 -1.06 113.70 117.12 2jqj s SER 132 Ca 0.13 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 2jqj s SER 132 Cb -0.17 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 2jqj s SER 132 CO 0.14 0.08 -0.04 0.72 0.98 0.00 0.00 173.24 175.12 2jqj s PHE 133 N 0.74 0.49 -0.12 5.02 -0.12 -0.59 -1.69 117.98 121.70 2jqj s PHE 133 Ca -0.10 -0.83 -0.04 0.00 -0.05 0.00 0.00 56.93 55.90 2jqj s PHE 133 Cb -0.16 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 2jqj s PHE 133 CO 0.01 -0.27 0.03 -1.17 -0.05 0.00 0.00 175.22 173.77 2jqj s LEU 134 N -2.35 3.72 -0.03 -1.99 2.96 -0.63 -0.84 118.68 119.52 2jqj s LEU 134 Ca -0.01 0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.94 2jqj s LEU 134 Cb 0.00 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2jqj s LEU 134 CO -0.06 0.31 0.29 0.12 -1.32 0.00 0.00 176.35 175.69 2jqj s PHE 135 N -0.44 3.64 0.02 5.38 2.19 -0.51 -2.77 117.98 125.50 2jqj s PHE 135 Ca 0.09 0.73 -0.21 0.00 0.33 0.00 0.00 56.93 57.87 2jqj s PHE 135 Cb -0.12 -2.09 0.04 0.00 -1.31 0.00 0.00 43.02 39.54 2jqj s PHE 135 CO 0.02 0.66 0.47 0.15 1.83 0.00 0.00 175.22 178.35 2jqj s LYS 136 N -1.30 0.93 0.24 10.12 1.02 -1.13 0.42 119.74 130.04 2jqj s LYS 136 Ca 0.23 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.72 2jqj s LYS 136 Cb -0.14 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.50 2jqj s LYS 136 CO 0.11 -0.31 0.96 0.71 -0.92 0.00 0.00 175.35 175.91 2jqj s TYR 137 N -2.05 3.93 -0.49 3.18 2.02 -1.26 -1.31 117.35 121.36 2jqj s TYR 137 Ca -0.08 1.88 -0.02 0.00 -0.37 0.00 0.00 57.07 58.48 2jqj s TYR 137 Cb -0.01 -3.02 0.22 0.00 -0.40 0.00 0.00 41.96 38.74 2jqj s TYR 137 CO 0.01 0.31 2.28 0.00 -1.57 0.00 0.00 175.55 176.59 2jqj n ALA 138 N 1.53 5.96 -2.43 3.71 0.00 0.26 -4.71 120.51 124.83 2jqj n ALA 138 Ca -0.02 -2.75 -0.40 0.00 0.00 0.00 0.00 53.44 50.27 2jqj n ALA 138 Cb 0.47 -1.78 0.01 0.00 0.00 0.00 0.00 19.45 18.15 2jqj n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jqj n SER 139 N 0.20 7.53 -4.63 0.00 3.41 -1.26 -4.80 113.62 114.07 2jqj n SER 139 Ca 0.45 -3.56 -0.33 0.00 -0.26 0.00 0.00 58.87 55.17 2jqj n SER 139 Cb 0.54 -1.21 0.13 0.00 -0.26 0.00 0.00 64.21 63.41 2jqj n SER 139 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jqj n SER 140 N 0.37 0.25 -2.95 4.04 2.88 -1.26 -5.01 113.62 111.94 2jqj n SER 140 Ca 0.51 0.52 -0.14 0.00 -1.33 0.00 0.00 58.87 58.43 2jqj n SER 140 Cb 0.26 -1.43 -0.01 0.00 -0.75 0.00 0.00 64.21 62.28 2jqj n SER 140 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jqj n SER 141 N -2.88 -1.86 -4.12 -3.46 7.64 -1.26 -5.14 113.62 102.54 2jqj n SER 141 Ca 0.12 -2.96 -0.12 0.00 1.01 0.00 0.00 58.87 56.92 2jqj n SER 141 Cb 0.51 0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 64.46 2jqj n SER 141 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jqj s SER 142 N -0.90 0.25 0.26 6.43 1.04 -1.26 -5.09 113.70 114.42 2jqj s SER 142 Ca 0.33 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2jqj s SER 142 Cb 0.15 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2jqj s SER 142 CO -0.17 -0.88 0.00 0.41 0.98 0.00 0.00 173.24 173.58 2jqj n THR 143 N -0.30 0.00 -3.90 2.02 -1.04 -1.26 -5.17 114.28 104.63 2jqj n THR 143 Ca 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.92 2jqj n THR 143 Cb 0.65 -0.19 -0.01 0.00 -1.82 0.00 0.00 70.33 68.96 2jqj n THR 143 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2jqj n ASP 144 N -3.17 -1.60 0.00 8.00 5.75 -1.26 -5.18 116.55 119.09 2jqj n ASP 144 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 2jqj n ASP 144 Cb 0.00 2.81 0.00 0.00 -1.03 0.00 0.00 41.12 42.90 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2jqj n ILE 145 N -0.51 0.00 -2.00 2.12 5.41 -1.26 -5.08 119.36 118.03 2jqj n ILE 145 Ca -0.03 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.34 2jqj n ILE 145 Cb 0.54 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.49 2jqj n ILE 145 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2jqj s GLU 146 N 4.25 3.48 0.26 0.38 2.56 -1.26 -4.99 118.70 123.38 2jqj s GLU 146 Ca 0.00 2.04 -0.27 0.00 0.00 0.00 0.00 54.97 56.74 2jqj s GLU 146 Cb 0.00 -2.37 -0.09 0.00 2.00 0.00 0.00 34.13 33.67 2jqj s GLU 146 CO 0.00 -0.85 0.90 -0.80 -0.56 0.00 0.00 175.26 173.94 2jqj s ASN 147 N -1.09 7.45 -0.27 -1.70 -0.87 -1.26 -5.06 114.94 112.14 2jqj s ASN 147 Ca 0.67 1.82 -0.10 0.00 -1.57 0.00 0.00 52.86 53.68 2jqj s ASN 147 Cb -0.35 -2.57 0.11 0.00 -0.02 0.00 0.00 41.25 38.42 2jqj s ASN 147 CO 0.43 0.07 0.58 -1.81 -2.57 0.00 0.00 177.10 173.80 2jqj s ASP 148 N -1.38 -0.86 0.23 -1.22 1.01 -1.26 -5.17 116.67 108.02 2jqj s ASP 148 Ca 0.44 1.39 0.06 0.00 0.71 0.00 0.00 52.55 55.15 2jqj s ASP 148 Cb -0.22 1.92 -0.04 0.00 1.01 0.00 0.00 42.92 45.59 2jqj s ASP 148 CO 0.27 -0.22 0.19 -1.81 0.21 0.00 0.00 175.17 173.81 2jqj s ASP 149 N 2.67 5.57 -0.19 0.27 1.11 -1.26 -5.05 116.67 119.78 2jqj s ASP 149 Ca -0.05 -0.20 -0.18 0.00 0.18 0.00 0.00 52.55 52.30 2jqj s ASP 149 Cb -0.11 -1.44 -0.20 0.00 1.07 0.00 0.00 42.92 42.23 2jqj s ASP 149 CO -0.17 -0.01 0.23 -0.62 1.18 0.00 0.00 175.17 175.78 2jqj n GLU 150 N -0.96 0.61 -3.39 8.23 1.02 -1.26 -4.83 120.64 120.06 2jqj n GLU 150 Ca -0.08 0.50 -0.40 0.00 -0.02 0.00 0.00 57.16 57.16 2jqj n GLU 150 Cb 0.57 -1.73 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 2jqj n GLU 150 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jqj s LYS 151 N -2.41 3.72 0.17 3.49 3.01 -1.26 -5.05 119.74 121.41 2jqj s LYS 151 Ca -0.28 -0.25 -0.30 0.00 -1.01 0.00 0.00 55.97 54.12 2jqj s LYS 151 Cb 0.06 -3.76 -0.08 0.00 -1.01 0.00 0.00 37.83 33.04 2jqj s LYS 151 CO 0.63 -0.45 1.34 0.08 0.51 0.00 0.00 175.35 177.46 2jqj s VAL 152 N 2.06 3.21 0.03 3.17 1.01 -1.26 -4.97 120.40 123.66 2jqj s VAL 152 Ca 0.13 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 2jqj s VAL 152 Cb -0.16 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2jqj s VAL 152 CO 0.11 0.12 1.23 -0.55 0.00 0.00 0.00 175.10 176.01 2jqj s SER 153 N 0.61 7.04 0.04 3.32 0.15 -1.26 -4.62 113.70 118.99 2jqj s SER 153 Ca 0.60 2.00 0.00 0.00 0.70 0.00 0.00 55.95 59.24 2jqj s SER 153 Cb -0.37 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2jqj s SER 153 CO 0.36 -0.52 0.00 -1.54 1.20 0.00 0.00 173.24 172.73 2jqj n SER 154 N 4.31 -0.39 -3.69 5.45 3.41 -1.26 -5.12 113.62 116.33 2jqj n SER 154 Ca 0.10 0.22 -0.18 0.00 -0.26 0.00 0.00 58.87 58.75 2jqj n SER 154 Cb 0.46 0.57 -0.17 0.00 -0.26 0.00 0.00 64.21 64.81 2jqj n SER 154 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jqj s GLU 155 N -2.00 -0.03 0.12 4.33 2.02 -1.26 -5.15 118.70 116.73 2jqj s GLU 155 Ca 0.00 0.40 0.08 0.00 0.02 0.00 0.00 54.97 55.47 2jqj s GLU 155 Cb 0.00 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 2jqj s GLU 155 CO 0.00 -0.29 -0.13 -1.54 0.02 0.00 0.00 175.26 173.32 2jqj s SER 156 N 1.97 4.19 0.07 -0.19 1.04 -1.26 -5.05 113.70 114.47 2jqj s SER 156 Ca 0.01 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2jqj s SER 156 Cb -0.12 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2jqj s SER 156 CO -0.04 0.17 0.00 0.54 0.98 0.00 0.00 173.24 174.89 2jqj n ARG 157 N 0.64 0.00 -0.03 4.02 1.74 -1.26 -4.94 116.66 116.83 2jqj n ARG 157 Ca -0.14 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.89 2jqj n ARG 157 Cb 0.53 -0.20 -0.04 0.00 -1.02 0.00 0.00 32.46 31.72 2jqj n ARG 157 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jqj h SER 158 N 0.00 -0.05 -0.02 0.55 4.64 -2.09 -3.58 113.55 112.99 2jqj h SER 158 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2jqj h SER 158 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2jqj h SER 158 CO 0.00 0.56 0.00 -1.22 -0.87 0.00 0.00 176.83 175.30