#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 -5.03 -2.68 1.97 5.12 -1.26 -4.84 116.66 109.95 2jqj n ARG 20 Ca 0.00 3.66 -0.03 0.00 -1.93 0.00 0.00 57.85 59.56 2jqj n ARG 20 Cb 0.00 -4.57 -0.02 0.00 -1.16 0.00 0.00 32.46 26.71 2jqj n ARG 20 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2jqj n GLN 21 N 1.77 -3.99 -3.58 5.56 7.27 -1.26 -5.05 117.38 118.10 2jqj n GLN 21 Ca 0.00 3.09 -0.15 0.00 0.07 0.00 0.00 57.00 60.02 2jqj n GLN 21 Cb 0.00 -5.22 -0.13 0.00 2.41 0.00 0.00 30.24 27.31 2jqj n GLN 21 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2jqj s GLN 22 N -1.20 0.18 0.00 3.69 -1.52 -1.26 -5.04 119.66 114.50 2jqj s GLN 22 Ca -0.13 0.55 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 2jqj s GLN 22 Cb 0.01 -0.45 0.00 0.00 -0.22 0.00 0.00 33.01 32.35 2jqj s GLN 22 CO 0.79 -0.44 0.00 0.54 -0.25 0.00 0.00 175.29 175.93 2jqj n ARG 23 N 5.34 0.00 -1.11 2.91 1.74 -1.26 -4.86 116.66 119.42 2jqj n ARG 23 Ca -0.06 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.05 2jqj n ARG 23 Cb 0.50 -0.36 0.13 0.00 -1.02 0.00 0.00 32.46 31.70 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 -2.33 1.79 -4.42 0.55 2.88 -1.26 -5.01 113.62 105.82 2jqj n SER 24 Ca 0.00 -3.23 -0.40 0.00 -1.33 0.00 0.00 58.87 53.91 2jqj n SER 24 Cb 0.00 -0.44 -0.11 0.00 -0.75 0.00 0.00 64.21 62.91 2jqj n SER 24 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2jqj s ASN 25 N -2.93 5.77 0.06 -3.46 2.47 -1.26 -5.07 114.94 110.51 2jqj s ASN 25 Ca 0.37 -0.81 0.04 0.00 0.42 0.00 0.00 52.86 52.88 2jqj s ASN 25 Cb 0.38 -2.05 -0.03 0.00 -1.45 0.00 0.00 41.25 38.10 2jqj s ASN 25 CO -0.09 -0.33 -0.12 -0.54 -3.72 0.00 0.00 177.10 172.30 2jqj s LYS 26 N 1.60 0.73 0.34 0.43 1.02 -1.26 -4.99 119.74 117.62 2jqj s LYS 26 Ca 0.03 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 2jqj s LYS 26 Cb -0.18 -0.66 -0.10 0.00 -0.52 0.00 0.00 37.83 36.37 2jqj s LYS 26 CO 0.07 0.15 1.25 -1.25 -0.92 0.00 0.00 175.35 174.65 2jqj s PRO 27 N -1.56 4.31 -0.53 -1.68 0.04 -1.26 -5.01 135.00 129.32 2jqj s PRO 27 Ca -0.04 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2jqj s PRO 27 Cb -0.09 -3.00 0.14 0.00 0.04 0.00 0.00 34.50 31.59 2jqj s PRO 27 CO 0.01 -0.17 0.33 0.45 0.04 0.00 0.00 177.00 177.66 2jqj s SER 28 N -0.68 5.19 -0.09 6.66 0.15 -1.26 -4.95 113.70 118.73 2jqj s SER 28 Ca 0.50 -2.53 -0.07 0.00 0.70 0.00 0.00 55.95 54.55 2jqj s SER 28 Cb -0.37 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.06 2jqj s SER 28 CO 0.48 -0.43 0.26 0.77 1.20 0.00 0.00 173.24 175.52 2jqj h SER 29 N 7.41 -0.10 0.00 5.45 4.64 -2.02 -3.50 113.55 125.44 2jqj h SER 29 Ca -0.06 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2jqj h SER 29 Cb 0.99 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2jqj h SER 29 CO 0.70 0.44 0.00 1.21 -0.87 0.00 0.00 176.83 178.31 2jqj n GLU 30 N -4.84 0.00 0.00 4.77 2.13 -1.26 -5.11 120.64 116.32 2jqj n GLU 30 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2jqj n GLU 30 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.82 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 -1.68 0.00 -3.76 4.31 4.02 -1.26 -5.10 117.16 113.70 2jqj n TYR 31 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 2jqj n TYR 31 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.16 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 1.56 -0.07 -0.31 -0.72 -4.23 -1.26 -5.04 115.64 105.57 2jqj s THR 32 Ca 0.00 0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2jqj s THR 32 Cb 0.00 -0.10 0.00 0.00 1.34 0.00 0.00 72.50 73.74 2jqj s THR 32 CO 0.00 0.10 1.27 0.00 -0.54 0.00 0.00 174.62 175.45 2jqj n LEU 34 N 7.58 1.74 0.00 0.00 0.00 -1.10 -4.99 117.00 120.23 2jqj n LEU 34 Ca 0.14 -0.01 -0.15 0.00 0.00 0.00 0.00 56.01 55.99 2jqj n LEU 34 Cb 0.47 -0.03 -0.06 0.00 0.00 0.00 0.00 43.42 43.80 2jqj n LEU 34 CO 0.63 0.33 -0.05 0.61 0.00 0.00 0.00 177.39 178.91 2jqj n GLY 35 N 3.18 3.03 3.11 -3.96 0.00 -1.17 -0.89 105.19 108.48 2jqj n GLY 35 Ca -0.04 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.11 0.35 -0.11 1.61 3.76 -0.92 -0.62 115.29 116.25 2jqj s HIS 36 Ca 0.31 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2jqj s HIS 36 Cb 0.01 -0.25 0.02 0.00 1.11 0.00 0.00 32.58 33.47 2jqj s HIS 36 CO 0.22 -0.39 -0.12 -0.48 -0.85 0.00 0.00 174.74 173.12 2jqj s LEU 37 N -2.59 1.52 -0.24 0.89 0.05 0.71 -2.77 118.68 116.25 2jqj s LEU 37 Ca 0.02 -0.38 -0.07 0.00 0.05 0.00 0.00 54.13 53.75 2jqj s LEU 37 Cb 0.04 -0.98 -0.03 0.00 -2.05 0.00 0.00 46.19 43.16 2jqj s LEU 37 CO -0.08 -0.04 0.06 -0.69 -0.55 0.00 0.00 176.35 175.05 2jqj s VAL 38 N 1.30 4.37 -0.35 1.48 1.01 -0.51 -0.79 120.40 126.91 2jqj s VAL 38 Ca -0.01 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 2jqj s VAL 38 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2jqj s VAL 38 CO -0.05 0.36 0.82 0.20 0.00 0.00 0.00 175.10 176.43 2jqj s ASN 39 N 1.38 6.62 -0.54 3.32 -0.87 0.16 0.24 114.94 125.24 2jqj s ASN 39 Ca 0.05 0.50 -0.26 0.00 -1.57 0.00 0.00 52.86 51.59 2jqj s ASN 39 Cb -0.15 -2.42 0.03 0.00 -0.02 0.00 0.00 41.25 38.70 2jqj s ASN 39 CO 0.03 -0.73 1.02 -0.76 -2.57 0.00 0.00 177.10 174.10 2jqj s LEU 40 N 3.16 3.86 0.00 0.60 1.43 0.25 -2.89 118.68 125.10 2jqj s LEU 40 Ca 0.33 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 2jqj s LEU 40 Cb -0.13 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 2jqj s LEU 40 CO 0.16 -1.27 -0.21 -0.63 0.23 0.00 0.00 176.35 174.63 2jqj s ILE 41 N 4.25 1.64 -1.09 -0.59 1.01 -1.07 -4.42 121.20 120.93 2jqj s ILE 41 Ca 0.36 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 2jqj s ILE 41 Cb -0.10 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2jqj s ILE 41 CO 0.23 0.38 1.81 -2.16 0.00 0.00 0.00 174.94 175.20 2jqj s PRO 42 N -0.70 3.01 0.00 2.79 0.04 -1.26 -2.37 135.00 136.51 2jqj s PRO 42 Ca 0.08 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.06 2jqj s PRO 42 Cb -0.08 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2jqj s PRO 42 CO 0.00 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.31 2jqj n GLY 43 N 6.24 0.65 3.74 0.56 0.00 -1.26 -5.12 105.19 110.00 2jqj n GLY 43 Ca 0.42 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.48 2jqj n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqj s LYS 44 N 0.00 0.10 0.07 1.61 2.20 -1.00 -5.19 119.74 117.53 2jqj s LYS 44 Ca 0.00 -0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2jqj s LYS 44 Cb 0.00 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 2jqj s LYS 44 CO 0.00 -0.04 -0.03 -1.21 -0.36 0.00 0.00 175.35 173.71 2jqj s GLU 45 N -2.06 0.70 -0.05 4.03 8.01 -1.26 -2.58 118.70 125.49 2jqj s GLU 45 Ca 0.21 -1.28 -0.02 0.00 0.01 0.00 0.00 54.97 53.89 2jqj s GLU 45 Cb 0.05 0.12 0.04 0.00 -4.31 0.00 0.00 34.13 30.02 2jqj s GLU 45 CO -0.05 -0.11 0.10 -1.14 0.01 0.00 0.00 175.26 174.07 2jqj s GLN 46 N -3.92 -0.01 -0.18 1.61 -0.44 -1.14 -4.96 119.66 110.62 2jqj s GLN 46 Ca 0.10 0.40 -0.03 0.00 -2.50 0.00 0.00 55.36 53.33 2jqj s GLN 46 Cb 0.07 -0.34 -0.02 0.00 -1.64 0.00 0.00 33.01 31.08 2jqj s GLN 46 CO -0.07 -0.27 -0.05 0.21 0.50 0.00 0.00 175.29 175.61 2jqj s LYS 47 N 1.86 3.53 0.04 1.67 2.20 -1.26 0.36 119.74 128.13 2jqj s LYS 47 Ca -0.00 -0.58 0.07 0.00 -0.36 0.00 0.00 55.97 55.10 2jqj s LYS 47 Cb -0.12 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2jqj s LYS 47 CO -0.04 0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 174.88 2jqj s VAL 48 N 0.79 1.72 0.12 4.02 1.01 0.03 -4.94 120.40 123.16 2jqj s VAL 48 Ca -0.02 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 2jqj s VAL 48 Cb -0.15 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 2jqj s VAL 48 CO 0.02 0.23 0.92 -1.61 0.00 0.00 0.00 175.10 174.66 2jqj s GLU 49 N -1.16 4.69 -0.13 2.72 2.02 -1.26 -0.21 118.70 125.36 2jqj s GLU 49 Ca 0.08 1.39 -0.01 0.00 0.02 0.00 0.00 54.97 56.45 2jqj s GLU 49 Cb -0.09 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 2jqj s GLU 49 CO 0.02 0.28 -0.09 -1.50 0.02 0.00 0.00 175.26 173.99 2jqj s ILE 50 N -0.23 3.47 0.38 -1.63 2.07 0.21 -4.91 121.20 120.55 2jqj s ILE 50 Ca 0.44 -0.52 0.07 0.00 -1.41 0.00 0.00 60.65 59.23 2jqj s ILE 50 Cb -0.23 -2.47 -0.01 0.00 0.13 0.00 0.00 42.46 39.88 2jqj s ILE 50 CO 0.29 0.53 0.45 0.42 -1.91 0.00 0.00 174.94 174.72 2jqj s THR 51 N 0.12 3.27 0.00 4.00 -4.23 -1.26 -2.70 115.64 114.84 2jqj s THR 51 Ca -0.04 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 2jqj s THR 51 Cb -0.14 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2jqj s THR 51 CO 0.04 -0.07 0.00 0.59 -0.54 0.00 0.00 174.62 174.64 2jqj n ASN 52 N -1.65 0.00 0.00 3.99 3.02 -1.23 -4.83 115.26 114.56 2jqj n ASN 52 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jqj n ASN 52 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jqj n ARG 53 N 0.00 0.00 0.00 3.52 0.63 -1.26 -3.80 116.66 115.75 2jqj n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jqj n ARG 53 Cb 0.00 -3.34 0.00 0.00 0.45 0.00 0.00 32.46 29.57 2jqj n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jqj n ASN 54 N 0.00 0.00 -3.97 6.15 3.02 -0.85 -4.81 115.26 114.80 2jqj n ASN 54 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 2jqj n ASN 54 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jqj s VAL 55 N 0.00 0.35 -0.07 2.41 1.01 -1.25 -1.82 120.40 121.03 2jqj s VAL 55 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2jqj s VAL 55 Cb 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.04 2jqj s VAL 55 CO 0.00 -0.07 -0.17 -0.89 0.00 0.00 0.00 175.10 173.97 2jqj s THR 56 N -0.52 1.48 -0.12 3.92 2.01 0.50 -4.83 115.64 118.08 2jqj s THR 56 Ca -0.03 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2jqj s THR 56 Cb -0.04 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2jqj s THR 56 CO -0.00 0.43 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jqj s THR 57 N 0.42 4.80 -0.06 -0.82 -4.23 -1.26 -1.15 115.64 113.34 2jqj s THR 57 Ca -0.13 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2jqj s THR 57 Cb -0.16 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jqj s THR 57 CO 0.05 0.57 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.00 2jqj s ILE 58 N -0.62 0.77 0.00 2.99 1.09 -0.84 0.18 121.20 124.79 2jqj s ILE 58 Ca 0.11 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 2jqj s ILE 58 Cb -0.12 -0.76 0.00 0.00 -1.06 0.00 0.00 42.46 40.52 2jqj s ILE 58 CO 0.02 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.76 2jqj n GLY 59 N 4.09 -0.66 0.06 6.18 0.00 -0.99 -2.80 105.19 111.07 2jqj n GLY 59 Ca -0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 1.93 -1.68 1.61 1.85 -1.25 -2.84 116.66 116.30 2jqj n ARG 60 Ca 0.00 -0.01 -0.45 0.00 -1.00 0.00 0.00 57.85 56.39 2jqj n ARG 60 Cb 0.00 -1.31 -0.04 0.00 -1.05 0.00 0.00 32.46 30.06 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jqj n SER 61 N -2.42 3.76 0.18 2.89 2.88 -1.26 -4.83 113.62 114.83 2jqj n SER 61 Ca -0.19 0.96 0.18 0.00 -1.33 0.00 0.00 58.87 58.49 2jqj n SER 61 Cb 0.86 -1.46 0.81 0.00 -0.75 0.00 0.00 64.21 63.68 2jqj n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jqj h ARG 62 N 9.30 0.00 0.00 -1.46 1.12 -1.98 0.22 114.38 121.58 2jqj h ARG 62 Ca -0.48 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.34 2jqj h ARG 62 Cb 1.25 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 2jqj h ARG 62 CO 0.94 0.00 -0.23 1.03 -3.11 0.00 0.00 179.97 178.60 2jqj h SER 63 N 0.00 0.00 -3.33 -3.80 0.87 -2.00 -3.45 113.55 101.85 2jqj h SER 63 Ca 0.11 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.20 2jqj h SER 63 Cb 0.64 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.82 2jqj h SER 63 CO -0.00 0.23 -0.16 0.00 -0.53 0.00 0.00 176.83 176.37 2jqj h ASP 65 N -2.35 -0.37 -3.72 0.00 5.19 0.17 -3.46 116.42 111.88 2jqj h ASP 65 Ca -0.55 -0.15 -0.58 0.00 -0.62 0.00 0.00 57.03 55.13 2jqj h ASP 65 Cb 1.32 0.10 -0.32 0.00 0.18 0.00 0.00 39.33 40.61 2jqj h ASP 65 CO 0.45 0.09 -0.84 -0.69 -3.12 0.00 0.00 179.24 175.12 2jqj s VAL 66 N -3.68 1.51 -0.23 -1.35 1.01 0.76 -4.94 120.40 113.48 2jqj s VAL 66 Ca -0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2jqj s VAL 66 Cb 0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2jqj s VAL 66 CO 0.39 0.43 0.13 0.27 0.00 0.00 0.00 175.10 176.32 2jqj s ILE 67 N 0.21 5.08 0.00 2.22 -4.36 -1.26 -2.36 121.20 120.73 2jqj s ILE 67 Ca -0.09 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2jqj s ILE 67 Cb -0.14 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.22 2jqj s ILE 67 CO 0.04 0.37 0.00 0.18 0.24 0.00 0.00 174.94 175.77 2jqj n LEU 68 N 4.22 0.41 0.00 0.37 4.32 -1.13 -4.97 117.00 120.22 2jqj n LEU 68 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2jqj n LEU 68 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2jqj n LEU 68 CO 0.34 0.00 0.00 -0.24 -1.22 0.00 0.00 177.39 176.27 2jqj n SER 69 N -0.47 0.00 0.00 -1.43 2.88 -1.26 -5.10 113.62 108.24 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jqj n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jqj n GLU 70 N 0.00 0.00 -0.11 -1.46 1.02 -1.26 -4.92 120.64 113.91 2jqj n GLU 70 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2jqj n GLU 70 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jqj h PRO 71 N 0.00 0.84 -0.53 3.49 0.13 -1.99 -3.14 132.00 130.80 2jqj h PRO 71 Ca 0.00 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jqj h PRO 71 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2jqj h PRO 71 CO 0.00 0.98 0.00 -0.25 -0.23 0.00 0.00 178.00 178.50 2jqj n ASP 72 N -4.11 3.50 -4.42 1.44 8.00 -1.26 -4.91 116.55 114.79 2jqj n ASP 72 Ca 0.00 -2.05 -0.37 0.00 0.71 0.00 0.00 54.79 53.08 2jqj n ASP 72 Cb 0.44 -0.37 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.09 4.35 0.25 0.53 1.10 -1.19 -4.94 121.20 120.21 2jqj s ILE 73 Ca 0.36 -0.37 -0.30 0.00 -0.51 0.00 0.00 60.65 59.84 2jqj s ILE 73 Cb 0.20 -3.15 -0.10 0.00 0.15 0.00 0.00 42.46 39.56 2jqj s ILE 73 CO 0.24 0.18 1.36 -0.55 -2.11 0.00 0.00 174.94 174.06 2jqj s SER 74 N 1.59 6.77 0.26 4.50 0.15 -1.26 -3.76 113.70 121.95 2jqj s SER 74 Ca 0.05 2.58 -0.01 0.00 0.70 0.00 0.00 55.95 59.27 2jqj s SER 74 Cb -0.16 -2.62 0.57 0.00 -1.71 0.00 0.00 66.02 62.10 2jqj s SER 74 CO 0.04 -0.60 1.70 0.74 1.20 0.00 0.00 173.24 176.33 2jqj h THR 75 N 3.49 0.54 -0.45 6.45 2.02 -1.91 1.00 112.91 124.05 2jqj h THR 75 Ca -0.46 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2jqj h THR 75 Cb 1.22 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2jqj h THR 75 CO 0.75 0.07 0.00 2.22 0.37 0.00 0.00 175.52 178.93 2jqj n PHE 76 N -5.06 0.96 -0.00 3.16 1.16 -1.26 -4.01 117.46 112.40 2jqj n PHE 76 Ca 0.18 -0.63 -0.00 0.00 -1.87 0.00 0.00 57.45 55.12 2jqj n PHE 76 Cb 0.53 -0.17 -0.00 0.00 -1.61 0.00 0.00 39.48 38.23 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2jqj n HIS 77 N 0.52 -0.00 -3.73 2.97 -0.00 0.34 -4.48 115.22 110.84 2jqj n HIS 77 Ca 0.19 0.01 -0.11 0.00 0.46 0.00 0.00 57.72 58.28 2jqj n HIS 77 Cb 0.71 -0.50 -0.06 0.00 -0.12 0.00 0.00 29.99 30.02 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 -5.01 -0.67 -0.03 1.57 0.00 -1.17 -1.80 121.76 114.65 2jqj s ALA 78 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2jqj s ALA 78 Cb 0.00 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2jqj s ALA 78 CO 0.01 -0.52 -0.07 -1.83 0.00 0.00 0.00 175.76 173.35 2jqj s GLU 79 N -3.30 0.93 -0.09 0.00 -1.05 -1.12 -1.98 118.70 112.09 2jqj s GLU 79 Ca 0.00 -0.23 0.04 0.00 -0.15 0.00 0.00 54.97 54.63 2jqj s GLU 79 Cb 0.02 -0.87 -0.00 0.00 -0.44 0.00 0.00 34.13 32.83 2jqj s GLU 79 CO -0.08 0.04 -0.23 -0.06 0.95 0.00 0.00 175.26 175.88 2jqj s PHE 80 N 0.46 2.56 -0.32 4.83 0.40 -0.30 -1.65 117.98 123.95 2jqj s PHE 80 Ca -0.07 -0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 55.17 2jqj s PHE 80 Cb -0.11 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 2jqj s PHE 80 CO 0.01 -0.34 0.47 -1.01 0.70 0.00 0.00 175.22 175.04 2jqj s HIS 81 N 0.21 3.21 -0.36 0.36 3.76 -0.47 0.19 115.29 122.19 2jqj s HIS 81 Ca -0.14 0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2jqj s HIS 81 Cb -0.17 -2.80 0.03 0.00 1.11 0.00 0.00 32.58 30.76 2jqj s HIS 81 CO 0.07 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.52 2jqj s LEU 82 N 2.27 4.59 -0.04 0.89 0.20 -0.76 -1.99 118.68 123.84 2jqj s LEU 82 Ca 0.17 -1.07 0.06 0.00 0.69 0.00 0.00 54.13 53.98 2jqj s LEU 82 Cb -0.16 -1.96 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 2jqj s LEU 82 CO 0.12 -0.37 -0.23 -0.76 -0.29 0.00 0.00 176.35 174.82 2jqj s LEU 83 N 1.49 2.04 -0.10 -0.68 2.01 -1.17 -2.01 118.68 120.26 2jqj s LEU 83 Ca 0.01 -0.45 -0.01 0.00 0.01 0.00 0.00 54.13 53.68 2jqj s LEU 83 Cb -0.19 -1.25 -0.03 0.00 0.01 0.00 0.00 46.19 44.72 2jqj s LEU 83 CO 0.05 0.25 -0.04 0.00 1.01 0.00 0.00 176.35 177.63 2jqj s GLN 84 N -0.31 3.10 -0.06 1.70 -2.07 -1.26 -3.02 119.66 117.74 2jqj s GLN 84 Ca 0.02 -0.50 0.03 0.00 -1.82 0.00 0.00 55.36 53.10 2jqj s GLN 84 Cb -0.11 -2.75 0.01 0.00 -1.09 0.00 0.00 33.01 29.06 2jqj s GLN 84 CO 0.01 0.55 -0.15 -1.64 -1.32 0.00 0.00 175.29 172.74 2jqj s MET 85 N -0.47 1.88 -0.25 9.60 -1.94 -0.94 -5.04 119.30 122.14 2jqj s MET 85 Ca 0.08 -0.53 -0.21 0.00 -1.71 0.00 0.00 55.69 53.31 2jqj s MET 85 Cb -0.12 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.15 2jqj s MET 85 CO 0.02 0.11 0.68 0.16 -0.01 0.00 0.00 175.02 175.98 2jqj s ASP 86 N 0.42 6.64 -0.00 3.03 1.47 -1.26 -2.34 116.67 124.63 2jqj s ASP 86 Ca -0.12 0.79 0.00 0.00 1.18 0.00 0.00 52.55 54.40 2jqj s ASP 86 Cb -0.15 -2.36 0.00 0.00 -0.34 0.00 0.00 42.92 40.08 2jqj s ASP 86 CO 0.04 -0.40 0.00 -0.69 0.68 0.00 0.00 175.17 174.80 2jqj s VAL 87 N 2.55 -0.00 0.16 2.11 1.01 -1.26 -4.96 120.40 120.01 2jqj s VAL 87 Ca 0.28 0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.94 2jqj s VAL 87 Cb -0.15 -0.02 -0.15 0.00 0.00 0.00 0.00 36.38 36.05 2jqj s VAL 87 CO 0.08 0.01 1.29 0.47 0.00 0.00 0.00 175.10 176.95 2jqj n ASP 88 N 3.18 1.83 -2.47 3.32 9.92 -1.26 -4.06 116.55 127.01 2jqj n ASP 88 Ca -0.13 1.13 -0.05 0.00 -0.53 0.00 0.00 54.79 55.21 2jqj n ASP 88 Cb 0.59 -1.26 -0.04 0.00 -0.64 0.00 0.00 41.12 39.77 2jqj n ASP 88 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jqj n ASN 89 N 2.31 -0.85 -1.58 -2.24 4.13 -1.26 -4.90 115.26 110.88 2jqj n ASN 89 Ca 0.16 1.20 0.00 0.00 1.68 0.00 0.00 54.58 57.61 2jqj n ASN 89 Cb 0.25 -4.79 0.00 0.00 -1.54 0.00 0.00 39.78 33.70 2jqj n ASN 89 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jqj n PHE 90 N 1.46 -4.18 -2.28 3.10 3.72 -1.26 -4.96 117.46 113.06 2jqj n PHE 90 Ca -0.36 2.19 -0.30 0.00 -0.05 0.00 0.00 57.45 58.93 2jqj n PHE 90 Cb 0.56 -3.39 -0.00 0.00 -0.94 0.00 0.00 39.48 35.70 2jqj n PHE 90 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2jqj s GLN 91 N -2.98 3.65 -0.27 -1.08 -0.21 -1.26 -4.45 119.66 113.05 2jqj s GLN 91 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.96 2jqj s GLN 91 Cb 0.00 -2.21 0.05 0.00 1.00 0.00 0.00 33.01 31.84 2jqj s GLN 91 CO 0.00 -0.36 -0.06 0.50 -2.12 0.00 0.00 175.29 173.25 2jqj s ARG 92 N -4.76 2.50 -0.06 2.91 3.52 -0.99 -4.96 118.95 117.11 2jqj s ARG 92 Ca 0.53 -1.20 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 2jqj s ARG 92 Cb -0.11 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 2jqj s ARG 92 CO 0.46 -0.53 -0.13 -0.80 -0.81 0.00 0.00 175.30 173.50 2jqj s ASN 93 N 1.22 4.16 -0.02 -2.12 0.01 -1.26 -2.22 114.94 114.71 2jqj s ASN 93 Ca -0.05 -0.17 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 2jqj s ASN 93 Cb -0.19 -0.99 -0.00 0.00 0.41 0.00 0.00 41.25 40.48 2jqj s ASN 93 CO -0.04 0.33 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.00 2jqj s LEU 94 N -0.63 1.90 -0.03 0.60 1.02 -1.17 -5.00 118.68 115.37 2jqj s LEU 94 Ca 0.09 -0.24 0.07 0.00 0.02 0.00 0.00 54.13 54.07 2jqj s LEU 94 Cb -0.11 -0.69 -0.02 0.00 0.02 0.00 0.00 46.19 45.39 2jqj s LEU 94 CO 0.01 0.12 -0.25 -0.63 0.02 0.00 0.00 176.35 175.62 2jqj s ILE 95 N -0.02 2.12 0.03 -0.59 1.09 -1.11 -3.07 121.20 119.66 2jqj s ILE 95 Ca -0.00 -1.07 0.07 0.00 -1.10 0.00 0.00 60.65 58.54 2jqj s ILE 95 Cb -0.08 -1.74 -0.03 0.00 -1.06 0.00 0.00 42.46 39.55 2jqj s ILE 95 CO 0.00 0.58 -0.20 0.21 -0.10 0.00 0.00 174.94 175.44 2jqj s ASN 96 N -0.52 3.66 -0.10 3.58 2.47 -0.84 0.11 114.94 123.29 2jqj s ASN 96 Ca 0.07 -0.43 0.02 0.00 0.42 0.00 0.00 52.86 52.94 2jqj s ASN 96 Cb -0.11 -0.56 -0.01 0.00 -1.45 0.00 0.00 41.25 39.12 2jqj s ASN 96 CO 0.00 0.27 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.79 2jqj s VAL 97 N -0.86 2.70 -0.07 -5.21 1.01 0.19 -1.36 120.40 116.79 2jqj s VAL 97 Ca 0.13 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2jqj s VAL 97 Cb -0.10 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2jqj s VAL 97 CO 0.04 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 2jqj s ILE 98 N 0.12 1.31 -0.13 2.22 -1.09 -0.66 -2.03 121.20 120.95 2jqj s ILE 98 Ca -0.09 -0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 57.54 2jqj s ILE 98 Cb -0.15 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 2jqj s ILE 98 CO 0.05 0.39 0.56 1.51 -1.23 0.00 0.00 174.94 176.22 2jqj s ASP 99 N 0.50 6.74 -0.00 3.58 -4.77 -1.26 -2.79 116.67 118.67 2jqj s ASP 99 Ca -0.13 0.89 0.00 0.00 -3.30 0.00 0.00 52.55 50.01 2jqj s ASP 99 Cb -0.15 -2.32 -0.00 0.00 -1.09 0.00 0.00 42.92 39.35 2jqj s ASP 99 CO 0.04 -0.09 -0.00 0.29 0.70 0.00 0.00 175.17 176.11 2jqj n LYS 100 N 4.03 1.85 0.02 2.11 4.76 -1.12 -4.79 118.16 125.03 2jqj n LYS 100 Ca -0.05 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.21 2jqj n LYS 100 Cb 0.51 -1.00 -0.13 0.00 -1.84 0.00 0.00 35.03 32.57 2jqj n LYS 100 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2jqj h SER 101 N 0.00 0.46 -1.34 4.39 0.02 -1.61 -3.48 113.55 112.00 2jqj h SER 101 Ca -0.00 -0.87 -0.42 0.00 -0.84 0.00 0.00 61.79 59.66 2jqj h SER 101 Cb 1.00 -0.15 -0.14 0.00 0.14 0.00 0.00 62.40 63.26 2jqj h SER 101 CO -0.00 1.28 -0.40 -1.14 -1.14 0.00 0.00 176.83 175.43 2jqj n ARG 102 N -4.21 -1.49 0.02 3.45 0.00 -1.26 -4.83 116.66 108.34 2jqj n ARG 102 Ca -0.12 1.18 -0.09 0.00 -0.00 0.00 0.00 57.85 58.82 2jqj n ARG 102 Cb 0.73 -5.60 -0.13 0.00 0.00 0.00 0.00 32.46 27.46 2jqj n ARG 102 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 2jqj h ASN 103 N 0.00 0.03 0.00 6.15 -1.07 -1.94 -3.46 115.58 115.29 2jqj h ASN 103 Ca -0.43 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 55.89 2jqj h ASN 103 Cb 1.34 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 2jqj h ASN 103 CO 0.61 1.04 0.00 0.61 0.07 0.00 0.00 177.43 179.76 2jqj n GLY 104 N 1.49 -1.84 3.52 9.14 0.00 -1.26 -5.01 105.19 111.22 2jqj n GLY 104 Ca -0.11 0.82 -0.36 0.00 0.00 0.00 0.00 46.02 46.37 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 4.56 -0.18 2.61 2.01 -1.26 -2.06 115.64 121.32 2jqj s THR 105 Ca 0.00 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.92 2jqj s THR 105 Cb 0.00 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.42 2jqj s THR 105 CO 0.00 0.36 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.75 2jqj s PHE 106 N 1.29 2.66 -0.05 4.92 0.08 -0.30 -4.14 117.98 122.44 2jqj s PHE 106 Ca 0.05 -1.59 0.06 0.00 0.12 0.00 0.00 56.93 55.57 2jqj s PHE 106 Cb -0.15 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 2jqj s PHE 106 CO 0.04 -0.78 -0.22 -1.50 -0.10 0.00 0.00 175.22 172.66 2jqj s ILE 107 N 1.33 2.38 -1.90 0.64 1.10 -0.78 0.90 121.20 124.87 2jqj s ILE 107 Ca 0.04 -0.96 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 2jqj s ILE 107 Cb -0.13 -1.88 0.00 0.00 0.15 0.00 0.00 42.46 40.59 2jqj s ILE 107 CO -0.12 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.88 2jqj n ASN 108 N 2.70 -5.81 0.00 4.50 5.03 0.25 -0.98 115.26 120.95 2jqj n ASN 108 Ca -0.17 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.41 2jqj n ASN 108 Cb 0.52 -4.91 0.00 0.00 -1.02 0.00 0.00 39.78 34.37 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 -0.85 0.30 3.12 7.41 0.00 -1.26 -4.99 105.19 108.92 2jqj n GLY 109 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2jqj n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqj s ASN 110 N -2.01 1.21 0.42 1.61 0.01 -0.15 -5.13 114.94 110.90 2jqj s ASN 110 Ca 0.00 -0.66 -0.26 0.00 -0.71 0.00 0.00 52.86 51.23 2jqj s ASN 110 Cb 0.00 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 2jqj s ASN 110 CO 0.00 -0.21 1.31 -0.13 -1.51 0.00 0.00 177.10 176.57 2jqj s ARG 111 N -2.08 3.89 -0.20 -0.60 0.52 -1.26 -1.86 118.95 117.37 2jqj s ARG 111 Ca -0.03 2.17 -0.11 0.00 -0.52 0.00 0.00 55.73 57.25 2jqj s ARG 111 Cb -0.07 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 2jqj s ARG 111 CO 0.00 -0.56 0.17 -0.48 0.02 0.00 0.00 175.30 174.45 2jqj s LEU 112 N -2.53 4.21 -0.08 2.53 0.05 -1.26 -4.89 118.68 116.71 2jqj s LEU 112 Ca 0.58 0.28 0.07 0.00 0.05 0.00 0.00 54.13 55.11 2jqj s LEU 112 Cb -0.38 -2.15 -0.10 0.00 -2.05 0.00 0.00 46.19 41.50 2jqj s LEU 112 CO 0.49 0.15 0.02 1.33 -0.55 0.00 0.00 176.35 177.79 2jqj n VAL 113 N 3.60 0.57 -2.80 1.48 0.24 -1.26 -5.01 118.33 115.15 2jqj n VAL 113 Ca -0.15 -0.34 -0.38 0.00 -2.04 0.00 0.00 64.34 61.43 2jqj n VAL 113 Cb 0.52 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.20 4.68 0.14 7.34 1.02 -1.26 -4.97 119.74 124.48 2jqj s LYS 114 Ca -0.05 1.36 0.02 0.00 0.02 0.00 0.00 55.97 57.31 2jqj s LYS 114 Cb 0.03 -3.04 -0.11 0.00 -0.52 0.00 0.00 37.83 34.19 2jqj s LYS 114 CO 0.33 0.41 1.30 -0.22 -0.92 0.00 0.00 175.35 176.25 2jqj h LYS 115 N 3.68 0.18 -3.07 1.68 3.64 -1.95 -3.37 116.57 117.36 2jqj h LYS 115 Ca -0.46 -0.23 -0.75 0.00 -1.27 0.00 0.00 60.65 57.94 2jqj h LYS 115 Cb 1.20 0.08 -0.32 0.00 -0.41 0.00 0.00 32.23 32.77 2jqj h LYS 115 CO 0.66 1.02 0.28 -0.25 -2.27 0.00 0.00 179.45 178.90 2jqj n ASP 116 N -3.57 5.26 -4.75 4.20 9.92 -1.26 -4.16 116.55 122.19 2jqj n ASP 116 Ca -0.04 -3.26 -0.40 0.00 -0.53 0.00 0.00 54.79 50.56 2jqj n ASP 116 Cb 0.88 -1.15 -0.06 0.00 -0.64 0.00 0.00 41.12 40.15 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jqj s TYR 117 N -2.03 3.94 -0.29 1.24 6.14 -0.86 -4.87 117.35 120.62 2jqj s TYR 117 Ca 0.31 1.85 -0.13 0.00 0.64 0.00 0.00 57.07 59.74 2jqj s TYR 117 Cb -0.00 -2.96 -0.04 0.00 0.42 0.00 0.00 41.96 39.38 2jqj s TYR 117 CO -0.02 0.42 0.26 -1.50 0.64 0.00 0.00 175.55 175.36 2jqj s ILE 118 N -0.96 5.26 -0.12 3.14 1.10 -1.26 0.52 121.20 128.88 2jqj s ILE 118 Ca 0.41 0.23 -0.05 0.00 -0.51 0.00 0.00 60.65 60.73 2jqj s ILE 118 Cb -0.25 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.70 2jqj s ILE 118 CO 0.31 0.16 0.08 -0.22 -2.11 0.00 0.00 174.94 173.16 2jqj s LEU 119 N 1.87 4.02 0.35 8.50 0.20 0.30 -4.95 118.68 128.96 2jqj s LEU 119 Ca 0.10 0.30 0.05 0.00 0.69 0.00 0.00 54.13 55.27 2jqj s LEU 119 Cb -0.16 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.61 2jqj s LEU 119 CO 0.11 0.36 0.21 -0.54 -0.29 0.00 0.00 176.35 176.20 2jqj s LYS 120 N -0.77 1.79 0.40 1.98 1.02 -1.26 -2.76 119.74 120.13 2jqj s LYS 120 Ca 0.13 -2.05 -0.26 0.00 0.02 0.00 0.00 55.97 53.80 2jqj s LYS 120 Cb -0.12 -0.05 -0.11 0.00 -0.52 0.00 0.00 37.83 37.04 2jqj s LYS 120 CO 0.03 -0.56 1.21 -1.71 -0.92 0.00 0.00 175.35 173.39 2jqj n ASN 121 N -1.36 2.27 -2.43 2.83 5.15 -1.26 -3.11 115.26 117.34 2jqj n ASN 121 Ca 0.02 1.12 -0.11 0.00 -0.60 0.00 0.00 54.58 55.01 2jqj n ASN 121 Cb 0.64 -1.45 0.05 0.00 -0.53 0.00 0.00 39.78 38.48 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jqj n GLY 122 N 0.90 -0.02 3.08 8.20 0.00 -0.78 -5.00 105.19 111.57 2jqj n GLY 122 Ca 0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.73 2.70 -0.22 1.61 1.11 -1.18 -5.00 116.67 111.96 2jqj s ASP 123 Ca 0.05 -0.50 -0.20 0.00 0.18 0.00 0.00 52.55 52.08 2jqj s ASP 123 Cb -0.02 -1.22 -0.02 0.00 1.07 0.00 0.00 42.92 42.72 2jqj s ASP 123 CO 0.44 0.02 0.59 -0.60 1.18 0.00 0.00 175.17 176.80 2jqj s ARG 124 N 1.03 4.16 -0.05 8.23 3.52 -1.26 -1.80 118.95 132.77 2jqj s ARG 124 Ca -0.04 0.52 0.06 0.00 -0.13 0.00 0.00 55.73 56.14 2jqj s ARG 124 Cb -0.15 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2jqj s ARG 124 CO -0.04 -0.28 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.43 2jqj s ILE 125 N 2.07 1.99 -0.06 4.11 1.10 0.90 0.85 121.20 132.16 2jqj s ILE 125 Ca 0.26 -1.04 0.04 0.00 -0.51 0.00 0.00 60.65 59.40 2jqj s ILE 125 Cb -0.16 -1.68 -0.00 0.00 0.15 0.00 0.00 42.46 40.78 2jqj s ILE 125 CO 0.09 0.56 -0.19 -0.69 -2.11 0.00 0.00 174.94 172.60 2jqj s VAL 126 N -0.25 1.63 -0.03 4.00 1.01 0.26 -0.29 120.40 126.74 2jqj s VAL 126 Ca -0.01 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2jqj s VAL 126 Cb -0.13 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2jqj s VAL 126 CO 0.02 0.46 -0.19 -0.36 0.00 0.00 0.00 175.10 175.03 2jqj s PHE 127 N 0.11 1.79 0.00 5.22 0.08 0.12 -1.14 117.98 124.16 2jqj s PHE 127 Ca -0.07 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2jqj s PHE 127 Cb -0.13 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 2jqj s PHE 127 CO 0.04 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.49 2jqj n GLY 128 N 2.77 2.09 0.00 4.36 0.00 -0.87 -3.22 105.19 110.32 2jqj n GLY 128 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2jqj n GLY 128 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 129 N 0.00 0.00 -0.05 1.61 4.81 -1.25 -4.32 118.16 118.96 2jqj n LYS 129 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2jqj n LYS 129 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2jqj n LYS 129 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jqj n SER 130 N 0.00 3.18 -4.52 3.14 7.64 -1.26 -4.96 113.62 116.84 2jqj n SER 130 Ca 0.00 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 2jqj n SER 130 Cb 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqj s SER 132 N 9.86 2.41 0.04 0.00 1.04 -1.26 0.14 113.70 125.94 2jqj s SER 132 Ca 1.08 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 2jqj s SER 132 Cb -0.57 -1.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.42 2jqj s SER 132 CO 0.38 0.08 0.04 0.72 0.98 0.00 0.00 173.24 175.44 2jqj s PHE 133 N 0.58 0.31 -0.08 5.02 -0.71 0.61 0.87 117.98 124.57 2jqj s PHE 133 Ca -0.15 -0.70 0.03 0.00 -1.04 0.00 0.00 56.93 55.07 2jqj s PHE 133 Cb -0.17 -0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 2jqj s PHE 133 CO 0.05 -0.35 -0.16 -1.17 -1.34 0.00 0.00 175.22 172.25 2jqj s LEU 134 N -2.33 2.62 -0.06 -1.99 0.20 0.14 -0.07 118.68 117.18 2jqj s LEU 134 Ca -0.02 -0.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.49 2jqj s LEU 134 Cb 0.01 -1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 2jqj s LEU 134 CO -0.06 0.27 0.03 0.12 -0.29 0.00 0.00 176.35 176.43 2jqj s PHE 135 N -0.31 3.23 0.12 5.38 2.19 -0.75 -1.43 117.98 126.42 2jqj s PHE 135 Ca 0.02 0.23 -0.17 0.00 0.33 0.00 0.00 56.93 57.34 2jqj s PHE 135 Cb -0.13 -1.78 0.04 0.00 -1.31 0.00 0.00 43.02 39.84 2jqj s PHE 135 CO 0.03 0.52 0.42 0.15 1.83 0.00 0.00 175.22 178.17 2jqj s LYS 136 N -1.14 1.08 0.15 10.12 1.02 -1.11 -1.86 119.74 127.99 2jqj s LYS 136 Ca 0.16 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.25 2jqj s LYS 136 Cb -0.12 0.48 -0.08 0.00 -0.52 0.00 0.00 37.83 37.60 2jqj s LYS 136 CO 0.06 -0.43 0.73 0.71 -0.92 0.00 0.00 175.35 175.50 2jqj s TYR 137 N -3.72 3.88 0.02 3.18 2.02 -1.26 -2.17 117.35 119.30 2jqj s TYR 137 Ca 0.02 1.55 -0.17 0.00 -0.37 0.00 0.00 57.07 58.10 2jqj s TYR 137 Cb 0.01 -2.70 -0.06 0.00 -0.40 0.00 0.00 41.96 38.81 2jqj s TYR 137 CO -0.12 0.53 0.49 0.00 -1.57 0.00 0.00 175.55 174.89 2jqj s ALA 138 N -1.15 3.62 -0.82 3.71 0.00 -0.07 -4.86 121.76 122.19 2jqj s ALA 138 Ca 0.34 -0.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 2jqj s ALA 138 Cb -0.22 -2.54 0.10 0.00 0.00 0.00 0.00 23.12 20.46 2jqj s ALA 138 CO 0.25 0.39 1.08 0.45 0.00 0.00 0.00 175.76 177.93 2jqj s SER 139 N -0.91 6.43 -0.31 0.00 0.15 -1.26 -4.80 113.70 113.00 2jqj s SER 139 Ca 0.27 -1.55 0.19 0.00 0.70 0.00 0.00 55.95 55.55 2jqj s SER 139 Cb -0.18 -2.42 0.47 0.00 -1.71 0.00 0.00 66.02 62.18 2jqj s SER 139 CO 0.16 -1.26 0.98 -1.54 1.20 0.00 0.00 173.24 172.78 2jqj n SER 140 N 7.22 1.48 -1.35 5.45 3.41 -1.26 -4.84 113.62 123.73 2jqj n SER 140 Ca 0.13 -2.60 -0.05 0.00 -0.26 0.00 0.00 58.87 56.08 2jqj n SER 140 Cb 0.48 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2jqj n SER 140 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jqj n SER 141 N -0.15 -0.95 -0.04 4.04 7.64 -1.26 -4.99 113.62 117.90 2jqj n SER 141 Ca 0.09 -2.04 -0.05 0.00 1.01 0.00 0.00 58.87 57.88 2jqj n SER 141 Cb 0.82 0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 64.31 2jqj n SER 141 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2jqj h SER 142 N 0.26 -0.02 -0.20 6.43 0.87 -2.00 -3.49 113.55 115.40 2jqj h SER 142 Ca -0.53 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2jqj h SER 142 Cb 1.41 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2jqj h SER 142 CO -0.25 0.62 0.00 1.07 -0.53 0.00 0.00 176.83 177.74 2jqj n THR 143 N -4.75 0.00 -4.00 2.23 5.66 -1.26 -4.97 114.28 107.18 2jqj n THR 143 Ca -0.03 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.83 2jqj n THR 143 Cb 0.16 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 2jqj n THR 143 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2jqj s ASP 144 N -4.00 0.69 -0.30 1.09 1.01 -1.26 -5.04 116.67 108.85 2jqj s ASP 144 Ca 0.00 -1.40 0.10 0.00 0.71 0.00 0.00 52.55 51.96 2jqj s ASP 144 Cb 0.00 0.73 0.65 0.00 1.01 0.00 0.00 42.92 45.31 2jqj s ASP 144 CO 0.00 -1.43 1.68 -0.38 0.21 0.00 0.00 175.17 175.25 2jqj n ILE 145 N -0.56 2.76 -3.97 0.77 -0.00 -1.26 -4.92 119.36 112.18 2jqj n ILE 145 Ca -0.02 -1.94 -0.14 0.00 -0.00 0.00 0.00 62.75 60.65 2jqj n ILE 145 Cb 0.61 -0.34 -0.14 0.00 -0.00 0.00 0.00 39.64 39.76 2jqj n ILE 145 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2jqj s GLU 146 N -3.05 0.17 0.00 0.38 0.41 -1.26 -4.99 118.70 110.36 2jqj s GLU 146 Ca 0.51 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.02 2jqj s GLU 146 Cb 0.42 -0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 2jqj s GLU 146 CO 0.10 0.02 0.00 0.27 -0.49 0.00 0.00 175.26 175.16 2jqj n ASN 147 N 3.18 0.00 -0.07 -0.19 0.23 -1.26 -4.96 115.26 112.19 2jqj n ASN 147 Ca -0.14 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.78 2jqj n ASN 147 Cb 0.58 0.18 -0.14 0.00 -2.08 0.00 0.00 39.78 38.32 2jqj n ASN 147 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2jqj n ASP 148 N -1.79 0.90 -4.68 0.53 8.00 -1.26 -4.88 116.55 113.36 2jqj n ASP 148 Ca 0.00 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.26 2jqj n ASP 148 Cb 0.00 0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 2jqj n ASP 148 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jqj s ASP 149 N -6.06 6.42 0.38 -2.24 1.01 -1.26 -5.07 116.67 109.84 2jqj s ASP 149 Ca -0.14 0.49 -0.15 0.00 0.71 0.00 0.00 52.55 53.46 2jqj s ASP 149 Cb 0.07 -2.22 -0.08 0.00 1.01 0.00 0.00 42.92 41.70 2jqj s ASP 149 CO 0.78 -0.04 0.79 -0.70 0.21 0.00 0.00 175.17 176.21 2jqj s GLU 150 N 1.17 3.97 0.79 8.23 -6.30 -1.26 -4.92 118.70 120.37 2jqj s GLU 150 Ca 0.18 0.70 -0.08 0.00 -2.50 0.00 0.00 54.97 53.28 2jqj s GLU 150 Cb -0.14 -2.36 0.12 0.00 0.00 0.00 0.00 34.13 31.75 2jqj s GLU 150 CO 0.07 0.04 1.10 0.15 0.02 0.00 0.00 175.26 176.65 2jqj s LYS 151 N -3.33 1.56 -0.18 4.30 1.02 -1.26 -5.09 119.74 116.76 2jqj s LYS 151 Ca 0.55 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2jqj s LYS 151 Cb -0.10 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2jqj s LYS 151 CO 0.22 -1.66 -0.09 0.14 -0.92 0.00 0.00 175.35 173.04 2jqj s VAL 152 N -3.41 1.47 0.15 3.17 -7.23 -1.26 -4.97 120.40 108.33 2jqj s VAL 152 Ca 0.66 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2jqj s VAL 152 Cb -0.07 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2jqj s VAL 152 CO 0.47 0.20 0.00 -1.20 -0.31 0.00 0.00 175.10 174.26 2jqj n SER 153 N 4.75 0.40 -1.38 4.85 7.64 -1.26 -5.15 113.62 123.46 2jqj n SER 153 Ca -0.14 0.24 0.18 0.00 1.01 0.00 0.00 58.87 60.16 2jqj n SER 153 Cb 0.47 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 2jqj n SER 153 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jqj n SER 154 N -3.33 -8.22 -4.37 6.43 2.88 -1.26 -4.95 113.62 100.81 2jqj n SER 154 Ca 0.00 1.41 -0.19 0.00 -1.33 0.00 0.00 58.87 58.76 2jqj n SER 154 Cb 0.06 -3.98 -0.10 0.00 -0.75 0.00 0.00 64.21 59.45 2jqj n SER 154 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jqj s GLU 155 N -2.04 1.38 -0.48 -1.46 8.01 -1.26 -5.11 118.70 117.74 2jqj s GLU 155 Ca 0.00 -1.63 0.06 0.00 0.01 0.00 0.00 54.97 53.41 2jqj s GLU 155 Cb 0.00 -1.16 0.19 0.00 -4.31 0.00 0.00 34.13 28.85 2jqj s GLU 155 CO 0.00 0.17 0.63 0.43 0.01 0.00 0.00 175.26 176.50 2jqj n SER 156 N -0.43 -2.47 -4.64 -0.19 7.64 -1.26 -5.12 113.62 107.15 2jqj n SER 156 Ca -0.07 -2.79 -0.37 0.00 1.01 0.00 0.00 58.87 56.64 2jqj n SER 156 Cb 0.61 1.04 -0.09 0.00 -1.01 0.00 0.00 64.21 64.75 2jqj n SER 156 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jqj s ARG 157 N 0.56 4.06 -0.40 1.43 0.52 -1.26 -4.64 118.95 119.21 2jqj s ARG 157 Ca 0.31 -0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.23 2jqj s ARG 157 Cb 0.04 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.94 2jqj s ARG 157 CO -0.11 -0.05 0.52 0.43 0.02 0.00 0.00 175.30 176.11 2jqj n SER 158 N 4.63 -7.75 0.00 0.23 7.64 -1.26 -5.37 113.62 111.73 2jqj n SER 158 Ca -0.13 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2jqj n SER 158 Cb 0.52 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.48 2jqj n SER 158 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81