#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gj8 s ILE 17 N 0.00 5.34 0.00 1.39 -1.09 -0.58 -3.88 121.20 122.38 1gj8 s ILE 17 Ca 0.00 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1gj8 s ILE 17 Cb 0.00 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 1gj8 s ILE 17 CO 0.00 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1gj8 n GLY 18 N 3.15 -0.58 3.43 6.18 0.00 -1.26 -2.64 105.19 113.47 1gj8 n GLY 18 Ca -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1gj8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gj8 n GLY 19 N 0.00 -1.87 3.33 -0.02 0.00 -1.26 -4.85 105.19 100.52 1gj8 n GLY 19 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 1gj8 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gj8 s GLU 20 N 0.00 1.32 0.28 1.61 8.01 -0.56 -4.96 118.70 124.41 1gj8 s GLU 20 Ca 0.00 -1.64 -0.14 0.00 0.01 0.00 0.00 54.97 53.19 1gj8 s GLU 20 Cb 0.00 -0.77 -0.08 0.00 -4.31 0.00 0.00 34.13 28.97 1gj8 s GLU 20 CO 0.00 -0.01 0.68 -0.06 0.01 0.00 0.00 175.26 175.88 1gj8 s PHE 21 N -3.28 3.43 0.00 1.61 0.40 -1.26 -1.77 117.98 117.10 1gj8 s PHE 21 Ca 0.26 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1gj8 s PHE 21 Cb 0.04 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 41.10 1gj8 s PHE 21 CO 0.07 0.18 0.00 -2.37 0.70 0.00 0.00 175.22 173.80 1gj8 n THR 22 N -0.14 0.00 -4.30 0.64 5.66 -0.02 -4.87 114.28 111.25 1gj8 n THR 22 Ca 0.02 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 1gj8 n THR 22 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1gj8 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1gj8 s THR 23 N -2.02 1.01 0.47 1.09 -4.23 -1.26 -4.35 115.64 106.35 1gj8 s THR 23 Ca 0.00 -2.03 0.31 0.00 -1.18 0.00 0.00 61.69 58.79 1gj8 s THR 23 Cb 0.00 -2.21 0.34 0.00 1.34 0.00 0.00 72.50 71.97 1gj8 s THR 23 CO 0.00 -0.43 2.16 -0.29 -0.54 0.00 0.00 174.62 175.52 1gj8 h ILE 24 N 2.56 0.42 0.00 2.99 6.09 -1.88 -1.95 117.51 125.75 1gj8 h ILE 24 Ca -0.38 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 62.79 1gj8 h ILE 24 Cb 1.21 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 39.72 1gj8 h ILE 24 CO 0.64 0.06 -0.02 -0.33 -3.07 0.00 0.00 178.15 175.43 1gj8 h GLU 25 N 0.00 0.00 -0.00 2.19 3.07 -1.86 0.18 114.58 118.16 1gj8 h GLU 25 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gj8 h GLU 25 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1gj8 h GLU 25 CO 0.01 0.02 -0.36 0.09 -1.40 0.00 0.00 179.01 177.37 1gj8 n ASN 26 N -3.70 0.58 -2.96 1.42 3.02 -0.73 -4.32 115.26 108.57 1gj8 n ASN 26 Ca -0.03 -0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.02 1gj8 n ASN 26 Cb 0.11 0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1gj8 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gj8 n GLN 27 N -1.25 1.01 0.00 3.52 1.13 -0.06 -5.00 117.38 116.73 1gj8 n GLN 27 Ca 0.08 -2.74 0.04 0.00 -1.94 0.00 0.00 57.00 52.44 1gj8 n GLN 27 Cb 0.33 -1.35 0.17 0.00 0.11 0.00 0.00 30.24 29.50 1gj8 n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1gj8 n PRO 28 N 0.26 0.00 0.00 -1.09 -0.04 -0.53 -1.04 135.00 132.57 1gj8 n PRO 28 Ca 0.16 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1gj8 n PRO 28 Cb 0.69 -1.51 0.25 0.00 -0.04 0.00 0.00 33.50 32.89 1gj8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gj8 n TRP 29 N -1.52 0.00 -2.27 0.54 2.14 -1.16 -1.54 117.44 113.63 1gj8 n TRP 29 Ca 0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 1gj8 n TRP 29 Cb 0.09 -0.10 -0.03 0.00 -0.81 0.00 0.00 31.31 30.46 1gj8 n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1gj8 s PHE 30 N -2.57 3.32 -0.01 -2.67 2.19 -0.20 -0.94 117.98 117.10 1gj8 s PHE 30 Ca 0.21 1.16 0.07 0.00 0.33 0.00 0.00 56.93 58.69 1gj8 s PHE 30 Cb 0.19 -3.56 -0.02 0.00 -1.31 0.00 0.00 43.02 38.31 1gj8 s PHE 30 CO 0.57 -1.84 -0.21 0.00 1.83 0.00 0.00 175.22 175.56 1gj8 s ALA 31 N 0.76 2.38 -0.20 11.12 0.00 -0.50 -4.43 121.76 130.89 1gj8 s ALA 31 Ca 0.60 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1gj8 s ALA 31 Cb -0.34 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1gj8 s ALA 31 CO 0.32 0.54 -0.03 0.00 0.00 0.00 0.00 175.76 176.59 1gj8 s ALA 32 N -0.71 2.89 -0.16 0.00 0.00 -0.53 -0.83 121.76 122.42 1gj8 s ALA 32 Ca 0.11 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1gj8 s ALA 32 Cb -0.10 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1gj8 s ALA 32 CO 0.01 -0.24 -0.06 0.42 0.00 0.00 0.00 175.76 175.89 1gj8 s ILE 33 N 1.15 3.67 0.31 0.00 1.01 -0.27 -0.99 121.20 126.09 1gj8 s ILE 33 Ca 0.02 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1gj8 s ILE 33 Cb -0.15 -2.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 1gj8 s ILE 33 CO -0.00 0.49 -0.08 -0.31 0.00 0.00 0.00 174.94 175.04 1gj8 s TYR 34 N 0.47 2.20 0.00 3.97 2.02 -0.14 -0.52 117.35 125.35 1gj8 s TYR 34 Ca -0.05 -0.59 0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1gj8 s TYR 34 Cb -0.15 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1gj8 s TYR 34 CO 0.03 0.45 -0.20 0.50 -1.57 0.00 0.00 175.55 174.77 1gj8 s ARG 35 N -3.66 1.51 0.08 -0.62 3.52 0.76 -1.33 118.95 119.21 1gj8 s ARG 35 Ca 0.31 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1gj8 s ARG 35 Cb 0.03 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 1gj8 s ARG 35 CO 0.14 0.40 0.20 1.03 -0.81 0.00 0.00 175.30 176.27 1gj8 s ARG 36 N -0.69 3.37 -0.16 5.12 0.52 0.15 -0.26 118.95 126.99 1gj8 s ARG 36 Ca 0.07 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1gj8 s ARG 36 Cb -0.08 -2.99 0.05 0.00 0.52 0.00 0.00 34.95 32.46 1gj8 s ARG 36 CO 0.00 0.59 0.01 -1.01 0.02 0.00 0.00 175.30 174.91 1gj8 s HIS 37 N -1.53 1.10 -0.74 -0.53 3.76 -0.56 -4.95 115.29 111.83 1gj8 s HIS 37 Ca 0.34 -0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 54.23 1gj8 s HIS 37 Cb -0.13 -1.04 -0.15 0.00 1.11 0.00 0.00 32.58 32.37 1gj8 s HIS 37 CO 0.27 -0.56 2.41 0.54 -0.85 0.00 0.00 174.74 176.56 1gj8 n ARG 37 N 5.03 0.59 -0.08 1.40 5.12 -1.26 -3.34 116.66 124.12 1gj8 n ARG 37 Ca -0.09 -0.40 -0.17 0.00 -1.93 0.00 0.00 57.85 55.26 1gj8 n ARG 37 Cb 0.48 -3.09 -0.13 0.00 -1.16 0.00 0.00 32.46 28.56 1gj8 n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gj8 n GLY 37 N 6.36 -0.57 3.89 -0.13 0.00 -1.26 -5.16 105.19 108.32 1gj8 n GLY 37 Ca 0.48 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1gj8 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gj8 s SER 37 N -6.46 6.30 -0.06 1.61 1.04 -1.21 -5.08 113.70 109.85 1gj8 s SER 37 Ca -0.25 1.12 0.01 0.00 0.48 0.00 0.00 55.95 57.30 1gj8 s SER 37 Cb 0.08 -2.33 0.02 0.00 0.10 0.00 0.00 66.02 63.89 1gj8 s SER 37 CO 0.70 -0.63 -0.05 -0.69 0.98 0.00 0.00 173.24 173.55 1gj8 s VAL 38 N -2.81 0.61 0.22 5.02 1.01 -1.26 -1.50 120.40 121.70 1gj8 s VAL 38 Ca 0.50 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.47 1gj8 s VAL 38 Cb -0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1gj8 s VAL 38 CO 0.45 0.26 -0.21 0.42 0.00 0.00 0.00 175.10 176.01 1gj8 s THR 39 N 1.13 2.30 0.36 3.92 -4.23 0.64 -4.86 115.64 114.90 1gj8 s THR 39 Ca -0.07 -2.18 -0.25 0.00 -1.18 0.00 0.00 61.69 58.01 1gj8 s THR 39 Cb -0.14 -2.15 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 1gj8 s THR 39 CO -0.01 -0.28 1.00 -0.47 -0.54 0.00 0.00 174.62 174.32 1gj8 s TYR 40 N -2.12 3.47 0.00 3.99 5.04 -1.26 -0.17 117.35 126.29 1gj8 s TYR 40 Ca 0.24 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 1gj8 s TYR 40 Cb -0.06 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.22 1gj8 s TYR 40 CO 0.11 -0.23 0.00 0.28 -1.34 0.00 0.00 175.55 174.38 1gj8 n VAL 41 N 0.21 0.00 -3.98 3.14 0.31 0.32 -4.82 118.33 113.51 1gj8 n VAL 41 Ca 0.04 0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1gj8 n VAL 41 Cb 0.50 -1.18 -0.02 0.00 -0.91 0.00 0.00 33.84 32.23 1gj8 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gj8 s GLY 43 N -3.14 1.79 0.18 0.00 0.00 -0.81 -1.11 107.32 104.23 1gj8 s GLY 43 Ca 0.24 -1.92 -0.14 0.00 0.00 0.00 0.00 44.72 42.90 1gj8 s GLY 43 CO 0.15 -1.51 0.68 0.61 0.00 0.00 0.00 173.10 173.03 1gj8 n GLY 44 N -2.26 0.96 2.95 0.20 0.00 -0.01 -3.76 105.19 103.28 1gj8 n GLY 44 Ca 0.13 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1gj8 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gj8 s SER 45 N -2.66 0.00 -0.20 1.61 0.01 -0.31 -1.41 113.70 110.73 1gj8 s SER 45 Ca 0.15 -0.02 -0.23 0.00 1.31 0.00 0.00 55.95 57.16 1gj8 s SER 45 Cb -0.03 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 1gj8 s SER 45 CO 0.06 -0.10 0.73 -0.22 0.41 0.00 0.00 173.24 174.12 1gj8 s LEU 46 N -0.36 4.13 -0.18 2.44 2.96 -0.12 -1.07 118.68 126.49 1gj8 s LEU 46 Ca -0.04 0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1gj8 s LEU 46 Cb -0.03 -3.05 -0.22 0.00 0.50 0.00 0.00 46.19 43.39 1gj8 s LEU 46 CO 0.00 -0.37 0.10 0.23 -1.32 0.00 0.00 176.35 175.00 1gj8 n MET 47 N 5.35 0.71 -4.04 1.98 2.81 -0.35 -1.78 117.12 121.80 1gj8 n MET 47 Ca 0.02 0.21 -0.11 0.00 -1.81 0.00 0.00 57.70 56.01 1gj8 n MET 47 Cb 0.49 -1.62 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1gj8 n MET 47 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1gj8 s SER 48 N -6.78 0.17 0.31 7.83 1.04 -1.20 -4.62 113.70 110.46 1gj8 s SER 48 Ca -0.27 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.10 1gj8 s SER 48 Cb 0.08 0.59 0.78 0.00 0.10 0.00 0.00 66.02 67.56 1gj8 s SER 48 CO 0.70 -1.16 1.77 -0.65 0.98 0.00 0.00 173.24 174.88 1gj8 h PRO 49 N 2.26 0.70 -0.14 4.02 0.11 -1.95 -2.54 132.00 134.46 1gj8 h PRO 49 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1gj8 h PRO 49 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1gj8 h PRO 49 CO 0.39 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.64 1gj8 s TRP 51 N -1.45 1.60 0.02 0.00 0.52 -0.96 -1.47 118.94 117.20 1gj8 s TRP 51 Ca 0.26 -0.44 0.09 0.00 0.02 0.00 0.00 56.10 56.02 1gj8 s TRP 51 Cb 0.17 -1.08 -0.02 0.00 -1.15 0.00 0.00 33.47 31.38 1gj8 s TRP 51 CO 0.24 -0.14 -0.26 0.08 0.02 0.00 0.00 176.95 176.89 1gj8 s VAL 52 N 0.01 2.06 -0.02 4.03 1.01 -0.42 -1.21 120.40 125.86 1gj8 s VAL 52 Ca -0.03 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.77 1gj8 s VAL 52 Cb -0.11 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1gj8 s VAL 52 CO 0.02 0.45 -0.20 -0.51 0.00 0.00 0.00 175.10 174.86 1gj8 s ILE 53 N -0.71 2.60 0.00 2.22 2.07 -0.23 -0.64 121.20 126.51 1gj8 s ILE 53 Ca 0.11 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 1gj8 s ILE 53 Cb -0.10 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.50 1gj8 s ILE 53 CO 0.01 0.53 0.00 -0.24 -1.91 0.00 0.00 174.94 173.33 1gj8 n SER 54 N 2.20 0.00 -4.43 4.50 2.88 -0.20 -1.17 113.62 117.40 1gj8 n SER 54 Ca -0.17 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.04 1gj8 n SER 54 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.85 1gj8 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gj8 s ALA 55 N -1.54 2.85 0.35 -1.46 0.00 -1.26 -0.54 121.76 120.15 1gj8 s ALA 55 Ca 0.00 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.17 1gj8 s ALA 55 Cb 0.00 -1.45 0.82 0.00 0.00 0.00 0.00 23.12 22.49 1gj8 s ALA 55 CO 0.00 0.16 1.84 1.15 0.00 0.00 0.00 175.76 178.91 1gj8 h THR 56 N 5.30 0.78 0.00 0.00 2.02 -1.74 0.11 112.91 119.38 1gj8 h THR 56 Ca -0.30 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1gj8 h THR 56 Cb 1.20 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1gj8 h THR 56 CO 0.60 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.61 1gj8 n HIS 57 N -4.61 0.49 0.18 3.16 1.44 -1.26 -1.18 115.22 113.44 1gj8 n HIS 57 Ca 0.19 0.24 0.06 0.00 -2.01 0.00 0.00 57.72 56.20 1gj8 n HIS 57 Cb 0.53 -0.88 0.20 0.00 0.12 0.00 0.00 29.99 29.96 1gj8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gj8 n PHE 59 N -3.28 0.00 -0.09 0.00 3.72 -0.51 -4.78 117.46 112.52 1gj8 n PHE 59 Ca 0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 1gj8 n PHE 59 Cb 0.60 -0.49 0.10 0.00 -0.94 0.00 0.00 39.48 38.75 1gj8 n PHE 59 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1gj8 n ILE 60 N -2.55 -0.11 0.08 4.37 2.08 -0.32 0.07 119.36 122.97 1gj8 n ILE 60 Ca -0.18 0.55 -0.09 0.00 0.56 0.00 0.00 62.75 63.58 1gj8 n ILE 60 Cb 0.79 -0.83 -0.10 0.00 -0.75 0.00 0.00 39.64 38.75 1gj8 n ILE 60 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1gj8 h ASP 60 N 0.00 0.14 -2.08 4.38 3.45 -1.86 -3.38 116.42 117.06 1gj8 h ASP 60 Ca 0.17 -0.14 -0.57 0.00 0.43 0.00 0.00 57.03 56.92 1gj8 h ASP 60 Cb 0.39 -0.04 -0.40 0.00 -0.56 0.00 0.00 39.33 38.71 1gj8 h ASP 60 CO -0.23 1.07 -0.91 0.00 -1.57 0.00 0.00 179.24 177.61 1gj8 n TYR 60 N -3.46 1.32 -0.04 4.55 4.19 0.11 -4.97 117.16 118.86 1gj8 n TYR 60 Ca -0.03 -3.81 0.00 0.00 3.31 0.00 0.00 57.90 57.37 1gj8 n TYR 60 Cb 0.93 -0.44 0.00 0.00 0.49 0.00 0.00 39.34 40.32 1gj8 n TYR 60 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1gj8 n PRO 60 N 1.06 0.51 -3.14 2.98 -0.04 -1.07 -4.69 135.00 130.60 1gj8 n PRO 60 Ca 0.25 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.26 1gj8 n PRO 60 Cb 0.49 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 1gj8 n PRO 60 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1gj8 s LYS 61 N 0.85 3.34 0.49 0.54 -0.14 -1.26 -4.91 119.74 118.65 1gj8 s LYS 61 Ca 0.00 -1.78 0.19 0.00 -1.36 0.00 0.00 55.97 53.02 1gj8 s LYS 61 Cb 0.00 -4.48 1.22 0.00 -1.68 0.00 0.00 37.83 32.90 1gj8 s LYS 61 CO 0.00 -1.52 2.00 1.57 -0.76 0.00 0.00 175.35 176.64 1gj8 h LYS 62 N 8.67 0.17 0.00 1.68 2.10 -1.92 -1.74 116.57 125.54 1gj8 h LYS 62 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1gj8 h LYS 62 Cb 1.06 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1gj8 h LYS 62 CO 1.00 0.11 0.00 0.39 -2.00 0.00 0.00 179.45 178.95 1gj8 n GLU 62 N -4.44 0.16 -0.51 0.07 -0.58 -1.26 -2.32 120.64 111.75 1gj8 n GLU 62 Ca 0.09 0.52 0.10 0.00 -0.42 0.00 0.00 57.16 57.45 1gj8 n GLU 62 Cb 0.46 -1.89 0.33 0.00 -0.57 0.00 0.00 31.44 29.77 1gj8 n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1gj8 n ASP 63 N -2.20 4.40 -4.60 1.62 9.92 -0.65 -4.93 116.55 120.11 1gj8 n ASP 63 Ca 0.00 -2.30 -0.31 0.00 -0.53 0.00 0.00 54.79 51.66 1gj8 n ASP 63 Cb 0.13 -0.53 -0.10 0.00 -0.64 0.00 0.00 41.12 39.98 1gj8 n ASP 63 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1gj8 s TYR 64 N -1.56 2.85 -0.02 1.24 1.51 -0.98 -0.68 117.35 119.70 1gj8 s TYR 64 Ca 0.49 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 1gj8 s TYR 64 Cb 0.30 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 1gj8 s TYR 64 CO 0.27 0.41 -0.15 0.42 -1.11 0.00 0.00 175.55 175.38 1gj8 s ILE 65 N -1.13 1.25 -0.08 2.71 1.01 -0.44 -4.18 121.20 120.34 1gj8 s ILE 65 Ca 0.20 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1gj8 s ILE 65 Cb -0.11 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1gj8 s ILE 65 CO 0.12 0.36 -0.22 -0.69 0.00 0.00 0.00 174.94 174.50 1gj8 s VAL 66 N -0.18 2.28 0.01 2.92 1.01 -0.40 -0.97 120.40 125.08 1gj8 s VAL 66 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1gj8 s VAL 66 Cb -0.08 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1gj8 s VAL 66 CO 0.00 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.12 1gj8 s TYR 67 N -0.01 2.11 0.18 5.22 2.02 -0.16 -0.18 117.35 126.53 1gj8 s TYR 67 Ca -0.07 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.33 1gj8 s TYR 67 Cb -0.15 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1gj8 s TYR 67 CO 0.05 0.02 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.32 1gj8 s LEU 68 N -0.82 2.42 -0.86 -1.29 1.43 -0.15 -1.45 118.68 117.96 1gj8 s LEU 68 Ca 0.09 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1gj8 s LEU 68 Cb -0.09 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1gj8 s LEU 68 CO 0.00 0.09 0.22 0.61 0.23 0.00 0.00 176.35 177.51 1gj8 n GLY 69 N 0.35 0.01 3.37 -3.19 0.00 -1.26 -0.58 105.19 103.89 1gj8 n GLY 69 Ca -0.13 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1gj8 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gj8 s ARG 70 N -4.96 3.49 0.03 1.61 3.52 -1.26 -3.76 118.95 117.61 1gj8 s ARG 70 Ca 0.11 -0.57 0.21 0.00 -0.13 0.00 0.00 55.73 55.35 1gj8 s ARG 70 Cb -0.05 -3.07 -0.21 0.00 -1.56 0.00 0.00 34.95 30.07 1gj8 s ARG 70 CO 0.14 -0.13 0.64 0.43 -0.81 0.00 0.00 175.30 175.57 1gj8 n SER 71 N 4.64 0.36 -4.43 -2.12 7.64 -1.26 -4.62 113.62 113.83 1gj8 n SER 71 Ca -0.18 0.15 -0.28 0.00 1.01 0.00 0.00 58.87 59.57 1gj8 n SER 71 Cb 0.51 1.18 -0.12 0.00 -1.01 0.00 0.00 64.21 64.77 1gj8 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gj8 s ARG 72 N -3.27 1.55 -0.00 1.43 0.52 -1.26 -1.64 118.95 116.28 1gj8 s ARG 72 Ca -0.05 -1.36 -0.25 0.00 -0.52 0.00 0.00 55.73 53.55 1gj8 s ARG 72 Cb 0.11 -1.95 -0.19 0.00 0.52 0.00 0.00 34.95 33.45 1gj8 s ARG 72 CO 0.85 0.44 1.32 1.25 0.02 0.00 0.00 175.30 179.18 1gj8 h LEU 73 N 3.60 -0.06 -2.67 2.53 5.85 -1.04 -3.39 115.31 120.13 1gj8 h LEU 73 Ca -0.49 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1gj8 h LEU 73 Cb 1.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1gj8 h LEU 73 CO 0.44 0.33 0.00 0.59 -0.34 0.00 0.00 178.44 179.46 1gj8 n ASN 74 N -4.94 1.83 -4.46 1.25 3.02 -1.26 -5.02 115.26 105.68 1gj8 n ASN 74 Ca -0.08 -1.83 -0.24 0.00 -0.03 0.00 0.00 54.58 52.39 1gj8 n ASN 74 Cb 0.22 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 1gj8 n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1gj8 s SER 75 N -0.83 3.55 0.42 6.41 0.01 -1.26 -5.12 113.70 116.88 1gj8 s SER 75 Ca 0.00 -1.00 -0.13 0.00 1.31 0.00 0.00 55.95 56.13 1gj8 s SER 75 Cb 0.00 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.87 1gj8 s SER 75 CO 0.00 0.05 0.83 0.20 0.41 0.00 0.00 173.24 174.73 1gj8 s ASN 76 N -3.37 6.58 -0.02 2.44 -0.87 -1.26 -4.62 114.94 113.83 1gj8 s ASN 76 Ca 0.28 1.27 0.07 0.00 -1.57 0.00 0.00 52.86 52.92 1gj8 s ASN 76 Cb -0.05 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.25 38.77 1gj8 s ASN 76 CO 0.14 -0.43 -0.23 -0.89 -2.57 0.00 0.00 177.10 173.12 1gj8 s THR 77 N -2.39 2.29 0.20 1.60 2.01 -1.26 -4.94 115.64 113.15 1gj8 s THR 77 Ca 0.54 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1gj8 s THR 77 Cb -0.10 -1.83 -0.08 0.00 0.01 0.00 0.00 72.50 70.49 1gj8 s THR 77 CO 0.29 0.55 1.23 -1.58 -0.69 0.00 0.00 174.62 174.42 1gj8 s GLN 78 N -0.73 4.47 0.00 4.92 2.00 -1.26 -2.57 119.66 126.49 1gj8 s GLN 78 Ca 0.11 1.93 0.00 0.00 -2.00 0.00 0.00 55.36 55.40 1gj8 s GLN 78 Cb -0.10 -3.22 0.00 0.00 0.80 0.00 0.00 33.01 30.49 1gj8 s GLN 78 CO -0.00 -0.12 0.00 0.41 -0.50 0.00 0.00 175.29 175.08 1gj8 n GLY 79 N 2.12 0.70 3.75 2.59 0.00 -1.26 -5.01 105.19 108.08 1gj8 n GLY 79 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1gj8 n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gj8 s GLU 80 N -0.75 2.56 -0.00 1.61 -1.05 -1.06 -4.76 118.70 115.25 1gj8 s GLU 80 Ca 0.00 1.54 0.06 0.00 -0.15 0.00 0.00 54.97 56.42 1gj8 s GLU 80 Cb 0.00 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1gj8 s GLU 80 CO 0.00 -1.46 -0.20 -1.64 0.95 0.00 0.00 175.26 172.91 1gj8 s MET 81 N -4.00 1.54 -0.07 -4.83 -1.94 0.25 -4.97 119.30 105.29 1gj8 s MET 81 Ca 0.70 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 1gj8 s MET 81 Cb -0.24 -1.53 -0.02 0.00 2.01 0.00 0.00 34.83 35.05 1gj8 s MET 81 CO 0.42 0.41 -0.13 0.21 -0.01 0.00 0.00 175.02 175.92 1gj8 s LYS 82 N -0.65 2.72 0.09 2.03 2.20 -1.26 -0.97 119.74 123.89 1gj8 s LYS 82 Ca 0.07 -0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1gj8 s LYS 82 Cb -0.08 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1gj8 s LYS 82 CO -0.00 0.54 -0.00 -0.06 -0.36 0.00 0.00 175.35 175.46 1gj8 s PHE 83 N -0.50 0.72 0.35 4.03 0.08 0.75 -4.60 117.98 118.82 1gj8 s PHE 83 Ca 0.07 -1.10 0.08 0.00 0.12 0.00 0.00 56.93 56.09 1gj8 s PHE 83 Cb -0.12 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1gj8 s PHE 83 CO 0.02 -0.38 0.27 -1.21 -0.10 0.00 0.00 175.22 173.81 1gj8 s GLU 84 N -3.95 2.59 -0.43 0.44 0.41 -0.49 -1.27 118.70 116.00 1gj8 s GLU 84 Ca 0.14 -1.42 -0.16 0.00 -0.41 0.00 0.00 54.97 53.12 1gj8 s GLU 84 Cb 0.07 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 30.08 1gj8 s GLU 84 CO -0.05 0.04 0.39 0.08 -0.49 0.00 0.00 175.26 175.23 1gj8 s VAL 85 N -2.37 5.16 0.08 2.63 1.01 -1.26 -2.33 120.40 123.32 1gj8 s VAL 85 Ca 0.42 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1gj8 s VAL 85 Cb -0.04 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 1gj8 s VAL 85 CO 0.26 -0.43 1.18 -0.08 0.00 0.00 0.00 175.10 176.03 1gj8 h GLU 86 N 8.71 0.60 -3.66 2.72 4.81 -0.74 -3.44 114.58 123.59 1gj8 h GLU 86 Ca -0.27 -0.71 -0.18 0.00 -0.13 0.00 0.00 59.36 58.07 1gj8 h GLU 86 Cb 1.11 0.22 -0.24 0.00 0.63 0.00 0.00 28.75 30.47 1gj8 h GLU 86 CO 0.80 1.30 -0.61 -0.80 -0.73 0.00 0.00 179.01 178.96 1gj8 s ASN 87 N -7.29 0.04 -0.20 1.04 0.01 -1.15 -4.94 114.94 102.45 1gj8 s ASN 87 Ca -0.09 -0.14 -0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1gj8 s ASN 87 Cb 0.07 0.15 0.05 0.00 0.41 0.00 0.00 41.25 41.94 1gj8 s ASN 87 CO 0.91 -0.20 -0.01 -0.22 -1.51 0.00 0.00 177.10 176.07 1gj8 s LEU 88 N -0.79 1.69 -0.29 0.60 2.96 -1.26 -0.72 118.68 120.87 1gj8 s LEU 88 Ca -0.09 -0.87 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 1gj8 s LEU 88 Cb -0.05 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1gj8 s LEU 88 CO 0.00 -0.25 0.03 -0.63 -1.32 0.00 0.00 176.35 174.18 1gj8 s ILE 89 N 1.67 3.50 0.29 6.68 1.01 0.35 -4.99 121.20 129.71 1gj8 s ILE 89 Ca -0.02 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.74 1gj8 s ILE 89 Cb -0.17 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1gj8 s ILE 89 CO -0.07 0.04 0.35 -0.76 0.00 0.00 0.00 174.94 174.50 1gj8 s LEU 90 N 1.40 3.97 -0.29 2.97 1.43 -1.26 -0.79 118.68 126.11 1gj8 s LEU 90 Ca 0.00 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 1gj8 s LEU 90 Cb -0.18 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1gj8 s LEU 90 CO 0.00 -0.24 0.86 -2.28 0.23 0.00 0.00 176.35 174.92 1gj8 s HIS 91 N -2.14 3.22 0.16 0.29 2.46 -1.24 -4.99 115.29 113.06 1gj8 s HIS 91 Ca 0.39 0.98 -0.31 0.00 0.47 0.00 0.00 55.06 56.59 1gj8 s HIS 91 Cb -0.08 -3.27 -0.09 0.00 -0.13 0.00 0.00 32.58 29.01 1gj8 s HIS 91 CO 0.28 -0.56 1.42 -1.59 -2.47 0.00 0.00 174.74 171.82 1gj8 s LYS 92 N 3.07 4.30 0.00 2.88 -2.85 -1.26 -1.27 119.74 124.61 1gj8 s LYS 92 Ca 0.36 2.17 0.00 0.00 -1.00 0.00 0.00 55.97 57.49 1gj8 s LYS 92 Cb -0.14 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 1gj8 s LYS 92 CO 0.12 -0.44 0.00 -0.25 0.10 0.00 0.00 175.35 174.88 1gj8 n ASP 93 N 3.50 -0.19 -4.78 0.03 8.00 -1.26 -5.07 116.55 116.79 1gj8 n ASP 93 Ca 0.10 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 1gj8 n ASP 93 Cb 0.41 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 1gj8 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1gj8 s TYR 94 N -2.00 3.13 -0.08 1.24 5.04 -0.40 -4.53 117.35 119.76 1gj8 s TYR 94 Ca 0.00 1.60 -0.19 0.00 -2.44 0.00 0.00 57.07 56.04 1gj8 s TYR 94 Cb 0.00 -3.25 0.04 0.00 0.35 0.00 0.00 41.96 39.11 1gj8 s TYR 94 CO 0.00 -0.98 0.45 0.45 -1.34 0.00 0.00 175.55 174.13 1gj8 s SER 95 N -1.42 -0.41 0.09 4.32 0.15 -0.94 -4.93 113.70 110.56 1gj8 s SER 95 Ca 0.59 0.55 0.08 0.00 0.70 0.00 0.00 55.95 57.88 1gj8 s SER 95 Cb -0.26 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1gj8 s SER 95 CO 0.32 -0.37 -0.22 0.00 1.20 0.00 0.00 173.24 174.16 1gj8 s ALA 96 N -0.70 1.92 0.00 5.45 0.00 -1.26 0.40 121.76 127.57 1gj8 s ALA 96 Ca -0.08 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1gj8 s ALA 96 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1gj8 s ALA 96 CO 0.04 0.41 0.00 -0.25 0.00 0.00 0.00 175.76 175.96 1gj8 n ASP 97 N 1.31 0.56 -4.57 0.00 10.43 0.10 -4.98 116.55 119.41 1gj8 n ASP 97 Ca -0.18 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.75 1gj8 n ASP 97 Cb 0.53 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.48 1gj8 n ASP 97 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1gj8 s THR 97 N -0.03 4.04 0.00 -3.53 -4.23 -1.26 -4.26 115.64 106.37 1gj8 s THR 97 Ca 0.00 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1gj8 s THR 97 Cb 0.00 -5.14 0.00 0.00 1.34 0.00 0.00 72.50 68.70 1gj8 s THR 97 CO 0.00 -1.99 0.00 0.18 -0.54 0.00 0.00 174.62 172.27 1gj8 n LEU 97 N 8.62 0.00 -4.79 4.79 4.77 -1.26 -5.08 117.00 124.05 1gj8 n LEU 97 Ca 0.42 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 56.06 1gj8 n LEU 97 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1gj8 n LEU 97 CO 0.72 0.00 0.74 0.00 -1.33 0.00 0.00 177.39 177.52 1gj8 s ALA 98 N -0.48 2.91 -0.08 -1.18 0.00 -1.26 -4.77 121.76 116.89 1gj8 s ALA 98 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1gj8 s ALA 98 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1gj8 s ALA 98 CO 0.00 -0.36 -0.20 -1.01 0.00 0.00 0.00 175.76 174.19 1gj8 s HIS 99 N -1.85 2.61 0.05 0.00 3.76 -1.26 0.01 115.29 118.61 1gj8 s HIS 99 Ca 0.65 -0.65 0.04 0.00 -0.15 0.00 0.00 55.06 54.95 1gj8 s HIS 99 Cb -0.19 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1gj8 s HIS 99 CO 0.23 -0.18 -0.03 -1.01 -0.85 0.00 0.00 174.74 172.91 1gj8 s HIS 100 N -0.04 2.95 -1.40 1.40 3.76 0.16 -4.56 115.29 117.57 1gj8 s HIS 100 Ca -0.06 -0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 54.79 1gj8 s HIS 100 Cb -0.14 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.98 1gj8 s HIS 100 CO 0.05 0.44 0.39 0.09 -0.85 0.00 0.00 174.74 174.86 1gj8 n ASN 101 N 0.98 -0.78 -4.13 1.40 3.02 -1.26 -2.22 115.26 112.25 1gj8 n ASN 101 Ca -0.13 -1.08 -0.43 0.00 -0.03 0.00 0.00 54.58 52.91 1gj8 n ASN 101 Cb 0.52 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1gj8 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gj8 n ASP 102 N -2.89 5.39 -3.90 6.41 2.03 -1.26 -4.56 116.55 117.77 1gj8 n ASP 102 Ca -0.28 -3.11 -0.12 0.00 0.52 0.00 0.00 54.79 51.80 1gj8 n ASP 102 Cb 0.67 -1.47 -0.14 0.00 -0.72 0.00 0.00 41.12 39.47 1gj8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gj8 s ILE 103 N 0.10 0.06 0.05 5.18 2.07 -1.26 -4.28 121.20 123.12 1gj8 s ILE 103 Ca 0.38 -0.19 -0.07 0.00 -1.41 0.00 0.00 60.65 59.37 1gj8 s ILE 103 Cb 0.03 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.52 1gj8 s ILE 103 CO 0.01 -0.08 0.13 0.00 -1.91 0.00 0.00 174.94 173.09 1gj8 s ALA 104 N -0.27 -0.13 -0.05 1.50 0.00 0.30 -3.59 121.76 119.52 1gj8 s ALA 104 Ca -0.03 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1gj8 s ALA 104 Cb -0.02 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1gj8 s ALA 104 CO -0.00 -0.37 -0.19 -0.51 0.00 0.00 0.00 175.76 174.69 1gj8 s LEU 105 N -2.31 1.93 -0.14 0.00 1.43 0.03 -1.03 118.68 118.60 1gj8 s LEU 105 Ca -0.02 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1gj8 s LEU 105 Cb 0.01 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.17 1gj8 s LEU 105 CO -0.06 0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 175.71 1gj8 s LEU 106 N 0.09 2.07 -0.13 1.79 1.02 0.19 -0.49 118.68 123.22 1gj8 s LEU 106 Ca -0.06 -0.59 -0.14 0.00 0.02 0.00 0.00 54.13 53.36 1gj8 s LEU 106 Cb -0.13 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.62 1gj8 s LEU 106 CO 0.03 0.07 0.31 -0.75 0.02 0.00 0.00 176.35 176.04 1gj8 s LYS 107 N 0.86 4.15 0.12 1.70 2.20 0.10 -1.30 119.74 127.58 1gj8 s LYS 107 Ca -0.06 0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.77 1gj8 s LYS 107 Cb -0.15 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1gj8 s LYS 107 CO -0.03 0.34 -0.03 0.96 -0.36 0.00 0.00 175.35 176.23 1gj8 s ILE 108 N 0.14 3.70 -0.12 5.43 -4.36 -0.54 0.01 121.20 125.46 1gj8 s ILE 108 Ca 0.18 -1.23 -0.10 0.00 -0.26 0.00 0.00 60.65 59.25 1gj8 s ILE 108 Cb -0.14 -2.79 0.04 0.00 1.25 0.00 0.00 42.46 40.82 1gj8 s ILE 108 CO 0.06 0.04 0.31 -0.60 0.24 0.00 0.00 174.94 174.99 1gj8 s ARG 109 N -2.48 0.34 0.75 0.37 3.52 -0.98 -4.65 118.95 115.82 1gj8 s ARG 109 Ca 0.25 0.50 -0.05 0.00 -0.13 0.00 0.00 55.73 56.29 1gj8 s ARG 109 Cb -0.11 0.10 0.12 0.00 -1.56 0.00 0.00 34.95 33.50 1gj8 s ARG 109 CO 0.17 -0.08 1.05 -1.54 -0.81 0.00 0.00 175.30 174.09 1gj8 s SER 110 N 0.51 4.26 0.58 -2.12 1.04 0.85 -1.39 113.70 117.43 1gj8 s SER 110 Ca -0.03 -0.02 0.37 0.00 0.48 0.00 0.00 55.95 56.75 1gj8 s SER 110 Cb -0.04 -0.39 1.76 0.00 0.10 0.00 0.00 66.02 67.45 1gj8 s SER 110 CO -0.03 -1.93 2.11 0.07 0.98 0.00 0.00 173.24 174.44 1gj8 h LYS 110 N -0.73 0.00 -0.01 4.02 2.10 -1.90 0.36 116.57 120.41 1gj8 h LYS 110 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1gj8 h LYS 110 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1gj8 h LYS 110 CO 0.45 0.00 -0.25 -1.91 -2.00 0.00 0.00 179.45 175.74 1gj8 n GLU 110 N -3.02 0.71 -0.90 0.07 4.07 -1.26 -4.92 120.64 115.39 1gj8 n GLU 110 Ca -0.01 -0.39 0.00 0.00 -0.06 0.00 0.00 57.16 56.71 1gj8 n GLU 110 Cb 0.20 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1gj8 n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gj8 n GLY 110 N 1.35 1.13 3.63 8.31 0.00 0.12 -5.08 105.19 114.64 1gj8 n GLY 110 Ca 0.12 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1gj8 n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gj8 s ARG 110 N -2.22 1.98 0.00 1.61 1.70 -1.26 -4.77 118.95 115.99 1gj8 s ARG 110 Ca 0.00 -2.17 0.00 0.00 -0.47 0.00 0.00 55.73 53.09 1gj8 s ARG 110 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 34.95 32.90 1gj8 s ARG 110 CO 0.00 -0.16 0.00 0.00 -1.08 0.00 0.00 175.30 174.06 1gj8 s ALA 112 N -2.00 2.69 0.11 0.00 0.00 -0.30 -4.84 121.76 117.41 1gj8 s ALA 112 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.49 1gj8 s ALA 112 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1gj8 s ALA 112 CO 0.00 -0.90 -0.26 -0.65 0.00 0.00 0.00 175.76 173.95 1gj8 s GLN 113 N -4.07 1.53 0.32 0.00 -1.52 -1.26 -4.81 119.66 109.86 1gj8 s GLN 113 Ca 0.64 -1.28 -0.27 0.00 -1.95 0.00 0.00 55.36 52.51 1gj8 s GLN 113 Cb -0.17 -1.94 -0.09 0.00 -0.22 0.00 0.00 33.01 30.59 1gj8 s GLN 113 CO 0.38 0.47 1.04 -2.14 -0.25 0.00 0.00 175.29 174.79 1gj8 s PRO 114 N -1.88 4.48 0.27 2.91 0.02 -1.26 -4.82 135.00 134.72 1gj8 s PRO 114 Ca 0.14 1.60 -0.06 0.00 0.02 0.00 0.00 61.00 62.71 1gj8 s PRO 114 Cb -0.10 -2.91 0.02 0.00 0.02 0.00 0.00 34.50 31.53 1gj8 s PRO 114 CO 0.06 0.12 0.46 -1.13 -0.33 0.00 0.00 177.00 176.18 1gj8 n SER 115 N 0.68 -1.31 0.00 2.53 3.41 -0.69 -4.94 113.62 113.30 1gj8 n SER 115 Ca 0.01 -2.28 0.10 0.00 -0.26 0.00 0.00 58.87 56.44 1gj8 n SER 115 Cb 0.47 2.30 0.44 0.00 -0.26 0.00 0.00 64.21 67.16 1gj8 n SER 115 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gj8 n ARG 116 N -0.41 0.06 -0.00 4.33 1.85 -1.26 -2.82 116.66 118.41 1gj8 n ARG 116 Ca -0.03 0.15 0.01 0.00 -1.00 0.00 0.00 57.85 56.98 1gj8 n ARG 116 Cb 0.43 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.35 1gj8 n ARG 116 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1gj8 n THR 117 N -1.46 0.05 -3.82 8.89 -2.24 -1.26 -4.64 114.28 109.80 1gj8 n THR 117 Ca 0.06 -0.53 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1gj8 n THR 117 Cb 0.22 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.30 1gj8 n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1gj8 s ILE 118 N -0.24 0.67 0.05 2.28 1.01 -1.13 -4.02 121.20 119.83 1gj8 s ILE 118 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1gj8 s ILE 118 Cb 0.02 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 1gj8 s ILE 118 CO 0.03 0.22 0.18 -1.58 0.00 0.00 0.00 174.94 173.79 1gj8 s GLN 119 N 1.84 0.72 0.57 2.79 2.00 -0.59 -1.70 119.66 125.29 1gj8 s GLN 119 Ca 0.04 -0.75 -0.03 0.00 -2.00 0.00 0.00 55.36 52.62 1gj8 s GLN 119 Cb -0.13 0.29 0.02 0.00 0.80 0.00 0.00 33.01 33.99 1gj8 s GLN 119 CO -0.07 -0.21 0.83 0.95 -0.50 0.00 0.00 175.29 176.30 1gj8 s THR 120 N -2.96 3.28 0.22 -0.34 -4.23 -1.26 -3.01 115.64 107.34 1gj8 s THR 120 Ca -0.02 -0.32 0.11 0.00 -1.18 0.00 0.00 61.69 60.27 1gj8 s THR 120 Cb 0.01 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 1gj8 s THR 120 CO -0.06 -0.24 -0.16 -0.51 -0.54 0.00 0.00 174.62 173.11 1gj8 s ILE 121 N -2.87 2.77 0.36 2.99 1.10 -0.73 -4.80 121.20 120.01 1gj8 s ILE 121 Ca 0.54 -2.02 -0.13 0.00 -0.51 0.00 0.00 60.65 58.53 1gj8 s ILE 121 Cb -0.10 -2.40 -0.08 0.00 0.15 0.00 0.00 42.46 40.03 1gj8 s ILE 121 CO 0.42 -0.23 0.75 0.00 -2.11 0.00 0.00 174.94 173.76 1gj8 s LEU 123 N -3.37 4.26 0.95 0.00 2.01 -1.26 -0.26 118.68 121.01 1gj8 s LEU 123 Ca 0.53 0.27 -0.14 0.00 0.01 0.00 0.00 54.13 54.80 1gj8 s LEU 123 Cb -0.10 -3.04 0.17 0.00 0.01 0.00 0.00 46.19 43.22 1gj8 s LEU 123 CO 0.24 -0.03 1.18 -2.16 1.01 0.00 0.00 176.35 176.58 1gj8 s PRO 124 N -3.47 0.79 0.35 1.29 0.04 -1.26 -4.84 135.00 127.91 1gj8 s PRO 124 Ca 0.36 0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.49 1gj8 s PRO 124 Cb -0.11 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1gj8 s PRO 124 CO 0.29 -2.39 0.54 -1.54 0.04 0.00 0.00 177.00 173.95 1gj8 s SER 125 N -4.25 6.24 -0.09 6.66 1.04 -1.26 -4.96 113.70 117.08 1gj8 s SER 125 Ca 0.67 0.38 -0.41 0.00 0.48 0.00 0.00 55.95 57.07 1gj8 s SER 125 Cb -0.11 -1.94 -0.20 0.00 0.10 0.00 0.00 66.02 63.87 1gj8 s SER 125 CO 0.53 -0.33 1.14 0.23 0.98 0.00 0.00 173.24 175.80 1gj8 n MET 126 N -1.78 0.00 -1.55 4.02 2.81 -1.26 -1.21 117.12 118.14 1gj8 n MET 126 Ca -0.04 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.81 1gj8 n MET 126 Cb 0.56 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 1gj8 n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1gj8 n TYR 127 N 1.91 -1.15 -3.64 2.03 4.01 -0.29 -4.91 117.16 115.11 1gj8 n TYR 127 Ca 0.22 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.58 1gj8 n TYR 127 Cb 0.05 -1.46 -0.11 0.00 -0.31 0.00 0.00 39.34 37.52 1gj8 n TYR 127 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1gj8 s ASN 128 N -1.53 5.94 0.22 7.72 2.47 -0.35 -4.99 114.94 124.41 1gj8 s ASN 128 Ca 0.00 0.01 0.08 0.00 0.42 0.00 0.00 52.86 53.37 1gj8 s ASN 128 Cb 0.00 -2.09 -0.05 0.00 -1.45 0.00 0.00 41.25 37.66 1gj8 s ASN 128 CO 0.00 -0.01 -0.14 -1.81 -3.72 0.00 0.00 177.10 171.42 1gj8 s ASP 129 N 1.48 2.65 0.95 -4.21 1.01 -1.26 -4.49 116.67 112.80 1gj8 s ASP 129 Ca 0.07 -1.04 -0.12 0.00 0.71 0.00 0.00 52.55 52.18 1gj8 s ASP 129 Cb -0.15 -0.15 0.16 0.00 1.01 0.00 0.00 42.92 43.79 1gj8 s ASP 129 CO 0.08 -0.17 1.09 -2.84 0.21 0.00 0.00 175.17 173.54 1gj8 s PRO 130 N -3.64 0.80 0.35 8.23 0.02 -1.26 -5.04 135.00 134.45 1gj8 s PRO 130 Ca 0.24 0.80 -0.09 0.00 0.02 0.00 0.00 61.00 61.97 1gj8 s PRO 130 Cb -0.01 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.69 1gj8 s PRO 130 CO 0.08 -2.55 0.67 -1.14 -0.33 0.00 0.00 177.00 173.73 1gj8 s GLN 131 N -4.87 3.74 0.72 5.54 0.74 -1.26 -5.00 119.66 119.27 1gj8 s GLN 131 Ca 0.65 0.30 -0.16 0.00 0.05 0.00 0.00 55.36 56.20 1gj8 s GLN 131 Cb -0.19 -2.50 -0.00 0.00 1.10 0.00 0.00 33.01 31.41 1gj8 s GLN 131 CO 0.58 0.09 0.88 1.97 -0.55 0.00 0.00 175.29 178.26 1gj8 n PHE 132 N -1.02 0.37 0.00 1.67 -1.74 -1.26 -2.24 117.46 113.23 1gj8 n PHE 132 Ca 0.01 0.39 0.00 0.00 -0.56 0.00 0.00 57.45 57.29 1gj8 n PHE 132 Cb 0.54 -2.05 0.00 0.00 1.52 0.00 0.00 39.48 39.49 1gj8 n PHE 132 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1gj8 n GLY 133 N 1.21 3.00 3.58 4.97 0.00 0.67 -4.94 105.19 113.68 1gj8 n GLY 133 Ca 0.12 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 1gj8 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gj8 n THR 134 N 0.00 1.85 -3.49 2.61 -1.04 -0.95 -4.47 114.28 108.78 1gj8 n THR 134 Ca 0.00 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.05 61.18 1gj8 n THR 134 Cb 0.00 -0.95 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1gj8 n THR 134 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1gj8 s SER 135 N -0.49 6.53 0.28 8.00 0.01 -1.26 -1.05 113.70 125.72 1gj8 s SER 135 Ca 0.61 0.63 0.04 0.00 1.31 0.00 0.00 55.95 58.53 1gj8 s SER 135 Cb -0.73 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 63.24 1gj8 s SER 135 CO 0.59 0.11 0.02 0.00 0.41 0.00 0.00 173.24 174.37 1gj8 s GLU 137 N -3.87 1.39 0.11 0.00 -1.05 0.23 -0.77 118.70 114.75 1gj8 s GLU 137 Ca 0.33 -1.41 0.07 0.00 -0.15 0.00 0.00 54.97 53.81 1gj8 s GLU 137 Cb 0.07 -1.70 -0.04 0.00 -0.44 0.00 0.00 34.13 32.02 1gj8 s GLU 137 CO 0.12 0.38 -0.18 0.96 0.95 0.00 0.00 175.26 177.49 1gj8 s ILE 138 N -1.53 1.57 0.08 1.83 -4.36 -0.52 -0.91 121.20 117.36 1gj8 s ILE 138 Ca 0.16 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1gj8 s ILE 138 Cb -0.08 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1gj8 s ILE 138 CO 0.08 -0.20 -0.05 0.28 0.24 0.00 0.00 174.94 175.28 1gj8 s THR 139 N -1.52 0.51 0.00 8.37 -1.32 -1.24 -1.33 115.64 119.11 1gj8 s THR 139 Ca 0.07 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 1gj8 s THR 139 Cb -0.08 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 1gj8 s THR 139 CO 0.04 -0.88 0.00 0.61 -2.21 0.00 0.00 174.62 172.18 1gj8 n GLY 140 N 0.14 0.81 1.07 6.08 0.00 -0.59 -4.56 105.19 108.14 1gj8 n GLY 140 Ca -0.14 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.80 1gj8 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gj8 n PHE 141 N -0.94 1.14 -1.28 1.61 3.72 -1.26 -1.96 117.46 118.49 1gj8 n PHE 141 Ca 0.00 -0.85 -0.29 0.00 -0.05 0.00 0.00 57.45 56.26 1gj8 n PHE 141 Cb 0.00 -0.35 0.19 0.00 -0.94 0.00 0.00 39.48 38.39 1gj8 n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1gj8 s GLY 142 N -1.73 1.59 0.67 1.37 0.00 -1.25 -4.04 107.32 103.94 1gj8 s GLY 142 Ca 0.44 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 44.30 1gj8 s GLY 142 CO 0.10 0.02 0.82 0.28 0.00 0.00 0.00 173.10 174.33 1gj8 n LYS 143 N -4.28 0.57 0.00 2.90 5.02 0.40 -2.48 118.16 120.29 1gj8 n LYS 143 Ca 0.09 0.24 0.11 0.00 -2.02 0.00 0.00 58.31 56.73 1gj8 n LYS 143 Cb 0.59 -2.06 -0.11 0.00 -0.02 0.00 0.00 35.03 33.42 1gj8 n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gj8 n GLU 144 N -1.18 0.25 -3.69 1.97 1.02 -1.25 0.10 120.64 117.85 1gj8 n GLU 144 Ca 0.13 -0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1gj8 n GLU 144 Cb 0.49 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 1gj8 n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gj8 s ALA 145 N -3.19 -1.28 0.54 0.62 0.00 -1.26 -4.44 121.76 112.75 1gj8 s ALA 145 Ca 0.02 1.43 0.23 0.00 0.00 0.00 0.00 51.96 53.64 1gj8 s ALA 145 Cb 0.15 -0.81 1.43 0.00 0.00 0.00 0.00 23.12 23.90 1gj8 s ALA 145 CO 0.87 -0.25 2.10 0.77 0.00 0.00 0.00 175.76 179.25 1gj8 h SER 146 N 5.22 0.00 0.33 0.00 0.02 -1.91 -1.53 113.55 115.68 1gj8 h SER 146 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1gj8 h SER 146 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1gj8 h SER 146 CO 0.19 0.00 -0.05 0.35 -1.14 0.00 0.00 176.83 176.18 1gj8 n THR 147 N -4.28 0.00 -1.92 -2.27 -2.24 -1.26 -4.87 114.28 97.43 1gj8 n THR 147 Ca 0.02 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1gj8 n THR 147 Cb 0.30 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1gj8 n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1gj8 s ASP 148 N -2.38 5.59 0.00 3.42 1.01 -0.58 -4.94 116.67 118.79 1gj8 s ASP 148 Ca 0.33 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.41 1gj8 s ASP 148 Cb 0.21 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1gj8 s ASP 148 CO 0.44 -1.30 0.63 0.00 0.21 0.00 0.00 175.17 175.16 1gj8 n TYR 149 N -2.25 0.00 -4.35 4.23 4.11 -1.26 -5.00 117.16 112.64 1gj8 n TYR 149 Ca 0.09 -0.19 -0.20 0.00 -0.00 0.00 0.00 57.90 57.60 1gj8 n TYR 149 Cb 0.53 -0.02 -0.11 0.00 -0.00 0.00 0.00 39.34 39.74 1gj8 n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1gj8 s LEU 150 N -0.37 2.50 0.08 -3.48 2.01 -1.26 -5.15 118.68 113.01 1gj8 s LEU 150 Ca 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 54.13 53.22 1gj8 s LEU 150 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 46.19 45.39 1gj8 s LEU 150 CO 0.00 -0.09 0.11 -0.31 1.01 0.00 0.00 176.35 177.06 1gj8 s TYR 151 N -2.51 3.25 0.88 0.29 2.02 -1.26 -4.74 117.35 115.28 1gj8 s TYR 151 Ca 0.20 0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.90 1gj8 s TYR 151 Cb -0.03 -1.65 0.12 0.00 -0.40 0.00 0.00 41.96 40.00 1gj8 s TYR 151 CO 0.07 0.53 1.12 -1.25 -1.57 0.00 0.00 175.55 174.46 1gj8 s PRO 152 N -2.42 1.35 0.07 -1.71 0.04 -1.26 -4.94 135.00 126.13 1gj8 s PRO 152 Ca 0.30 1.35 0.21 0.00 0.04 0.00 0.00 61.00 62.90 1gj8 s PRO 152 Cb -0.12 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.48 1gj8 s PRO 152 CO 0.23 -2.34 0.74 0.39 0.04 0.00 0.00 177.00 176.07 1gj8 n GLU 153 N -4.01 0.63 -4.32 4.56 -0.58 -1.26 -4.67 120.64 110.99 1gj8 n GLU 153 Ca 0.10 0.04 -0.35 0.00 -0.42 0.00 0.00 57.16 56.53 1gj8 n GLU 153 Cb 0.53 -1.71 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 1gj8 n GLU 153 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1gj8 s GLN 154 N -3.23 3.11 0.50 3.49 2.00 -1.26 -0.47 119.66 123.79 1gj8 s GLN 154 Ca -0.04 -0.39 -0.23 0.00 -2.00 0.00 0.00 55.36 52.70 1gj8 s GLN 154 Cb 0.10 -2.85 -0.07 0.00 0.80 0.00 0.00 33.01 30.99 1gj8 s GLN 154 CO 0.83 0.66 1.37 -1.17 -0.50 0.00 0.00 175.29 176.49 1gj8 s LEU 155 N -0.76 3.98 0.24 3.68 2.96 -0.65 -4.88 118.68 123.25 1gj8 s LEU 155 Ca 0.12 2.80 0.04 0.00 -0.22 0.00 0.00 54.13 56.88 1gj8 s LEU 155 Cb -0.12 -4.12 -0.05 0.00 0.50 0.00 0.00 46.19 42.41 1gj8 s LEU 155 CO 0.02 -1.35 -0.02 -0.54 -1.32 0.00 0.00 176.35 173.14 1gj8 s LYS 156 N -2.68 1.39 0.11 1.98 1.02 -0.83 -0.84 119.74 119.89 1gj8 s LYS 156 Ca 0.66 -1.70 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 1gj8 s LYS 156 Cb -0.41 -0.77 0.02 0.00 -0.52 0.00 0.00 37.83 36.14 1gj8 s LYS 156 CO 0.51 -0.05 0.30 1.41 -0.92 0.00 0.00 175.35 176.60 1gj8 s MET 157 N -3.82 0.97 0.26 1.68 -2.45 -0.73 -1.54 119.30 113.68 1gj8 s MET 157 Ca 0.28 -0.83 -0.19 0.00 -1.25 0.00 0.00 55.69 53.70 1gj8 s MET 157 Cb 0.05 0.41 0.02 0.00 1.25 0.00 0.00 34.83 36.56 1gj8 s MET 157 CO 0.09 -0.35 0.65 -0.08 1.05 0.00 0.00 175.02 176.38 1gj8 s THR 158 N -3.83 0.00 -0.08 10.11 -1.32 -0.44 -1.49 115.64 118.59 1gj8 s THR 158 Ca 0.04 -1.00 0.03 0.00 -1.21 0.00 0.00 61.69 59.55 1gj8 s THR 158 Cb 0.03 -1.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 1gj8 s THR 158 CO -0.11 -0.01 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.43 1gj8 s VAL 159 N -3.92 2.76 0.11 5.08 1.01 -1.26 -1.44 120.40 122.74 1gj8 s VAL 159 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1gj8 s VAL 159 Cb -0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1gj8 s VAL 159 CO 0.05 0.56 -0.03 0.68 0.00 0.00 0.00 175.10 176.37 1gj8 s VAL 160 N -0.23 0.58 0.02 2.92 -7.23 0.05 -4.87 120.40 111.63 1gj8 s VAL 160 Ca 0.00 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1gj8 s VAL 160 Cb -0.13 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1gj8 s VAL 160 CO 0.03 -0.75 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.46 1gj8 s LYS 161 N -3.88 2.50 0.33 4.82 1.02 -0.09 -0.06 119.74 124.37 1gj8 s LYS 161 Ca 0.15 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 55.10 1gj8 s LYS 161 Cb 0.06 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1gj8 s LYS 161 CO -0.03 0.59 1.10 -0.51 -0.92 0.00 0.00 175.35 175.58 1gj8 s LEU 162 N -1.58 4.38 0.33 3.17 1.43 -0.22 -1.10 118.68 125.10 1gj8 s LEU 162 Ca 0.18 2.23 0.10 0.00 -1.03 0.00 0.00 54.13 55.61 1gj8 s LEU 162 Cb -0.11 -3.84 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 1gj8 s LEU 162 CO 0.09 -0.33 -0.11 0.27 0.23 0.00 0.00 176.35 176.51 1gj8 s ILE 163 N -1.33 2.34 0.75 -0.59 -4.36 -0.81 -0.24 121.20 116.96 1gj8 s ILE 163 Ca 0.50 -2.22 -0.11 0.00 -0.26 0.00 0.00 60.65 58.55 1gj8 s ILE 163 Cb -0.29 -2.59 0.04 0.00 1.25 0.00 0.00 42.46 40.86 1gj8 s ILE 163 CO 0.37 -0.24 1.10 -0.94 0.24 0.00 0.00 174.94 175.47 1gj8 s SER 164 N -3.60 5.03 0.13 4.36 1.04 -1.26 -4.50 113.70 114.90 1gj8 s SER 164 Ca 0.32 1.19 -0.12 0.00 0.48 0.00 0.00 55.95 57.82 1gj8 s SER 164 Cb 0.01 -1.95 -0.06 0.00 0.10 0.00 0.00 66.02 64.11 1gj8 s SER 164 CO 0.16 -1.61 1.45 0.45 0.98 0.00 0.00 173.24 174.67 1gj8 h HIS 165 N -0.84 1.04 -0.70 5.02 -0.00 -1.97 -2.03 115.15 115.68 1gj8 h HIS 165 Ca -0.46 -0.32 0.14 0.00 -0.00 0.00 0.00 60.37 59.73 1gj8 h HIS 165 Cb 1.26 -0.22 -0.10 0.00 -0.00 0.00 0.00 27.41 28.36 1gj8 h HIS 165 CO 0.48 1.13 0.19 -0.09 -0.00 0.00 0.00 177.93 179.64 1gj8 h ARG 166 N 0.66 0.30 -0.13 2.45 9.65 -1.95 0.23 114.38 125.60 1gj8 h ARG 166 Ca 0.05 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1gj8 h ARG 166 Cb 0.97 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 1gj8 h ARG 166 CO 0.09 0.20 -0.05 1.49 2.80 0.00 0.00 179.97 184.50 1gj8 h GLU 167 N 0.31 0.26 -0.16 0.20 4.81 -1.88 -3.22 114.58 114.91 1gj8 h GLU 167 Ca 0.38 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1gj8 h GLU 167 Cb 0.61 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1gj8 h GLU 167 CO -0.45 0.59 -0.19 0.00 -0.73 0.00 0.00 179.01 178.23 1gj8 n GLN 169 N -4.21 2.24 -2.91 0.00 6.02 0.76 -1.77 117.38 117.52 1gj8 n GLN 169 Ca -0.01 -1.37 -0.39 0.00 -0.01 0.00 0.00 57.00 55.22 1gj8 n GLN 169 Cb 0.32 -1.71 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 1gj8 n GLN 169 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1gj8 s GLN 170 N -1.65 4.59 0.47 -1.09 -0.21 -1.04 -4.05 119.66 116.67 1gj8 s GLN 170 Ca 0.25 1.22 0.29 0.00 0.02 0.00 0.00 55.36 57.13 1gj8 s GLN 170 Cb 0.20 -3.12 1.35 0.00 1.00 0.00 0.00 33.01 32.44 1gj8 s GLN 170 CO 0.06 0.48 1.76 -1.00 -2.12 0.00 0.00 175.29 174.47 1gj8 h PRO 170 N 3.92 0.17 -0.26 2.91 0.13 -1.91 0.12 132.00 137.08 1gj8 h PRO 170 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1gj8 h PRO 170 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1gj8 h PRO 170 CO 0.66 0.11 0.00 -2.39 -0.23 0.00 0.00 178.00 176.16 1gj8 n HIS 170 N -4.43 0.35 0.00 1.56 1.44 -1.26 -4.32 115.22 108.55 1gj8 n HIS 170 Ca 0.28 -0.17 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1gj8 n HIS 170 Cb 1.15 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.26 1gj8 n HIS 170 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1gj8 n TYR 171 N 0.29 0.00 0.05 -1.40 4.02 0.37 -4.87 117.16 115.63 1gj8 n TYR 171 Ca 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.00 1gj8 n TYR 171 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1gj8 n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1gj8 n TYR 172 N 0.00 0.00 -5.00 -0.72 4.01 -0.73 -4.92 117.16 109.80 1gj8 n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1gj8 n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1gj8 n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gj8 n GLY 173 N 0.28 1.88 0.00 2.72 0.00 -1.03 -2.13 105.19 106.90 1gj8 n GLY 173 Ca 0.01 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1gj8 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gj8 n SER 174 N -1.30 0.00 0.23 1.61 3.41 -1.26 -3.55 113.62 112.76 1gj8 n SER 174 Ca 0.00 -1.27 0.07 0.00 -0.26 0.00 0.00 58.87 57.41 1gj8 n SER 174 Cb 0.00 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.49 1gj8 n SER 174 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gj8 h GLU 175 N 0.00 0.00 -5.80 4.33 4.39 -1.83 -3.40 114.58 112.28 1gj8 h GLU 175 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1gj8 h GLU 175 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 1gj8 h GLU 175 CO 0.00 0.18 -0.11 0.08 -1.16 0.00 0.00 179.01 178.00 1gj8 s VAL 176 N -4.54 5.15 0.43 3.13 1.01 -1.23 -4.86 120.40 119.50 1gj8 s VAL 176 Ca -0.04 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1gj8 s VAL 176 Cb 0.15 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1gj8 s VAL 176 CO 0.67 0.33 0.27 0.35 0.00 0.00 0.00 175.10 176.73 1gj8 n THR 177 N 3.57 0.00 0.57 3.92 -2.24 -1.26 -4.96 114.28 113.88 1gj8 n THR 177 Ca -0.07 -1.78 0.12 0.00 -2.27 0.00 0.00 64.05 60.05 1gj8 n THR 177 Cb 0.52 -0.03 0.45 0.00 -2.10 0.00 0.00 70.33 69.17 1gj8 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gj8 n THR 178 N -1.44 0.66 0.56 4.28 -2.24 -1.26 -2.23 114.28 112.61 1gj8 n THR 178 Ca -0.04 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1gj8 n THR 178 Cb 0.50 -0.84 0.20 0.00 -2.10 0.00 0.00 70.33 68.09 1gj8 n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1gj8 n LYS 179 N -2.06 2.09 -4.38 -0.78 5.02 -1.26 -4.86 118.16 111.92 1gj8 n LYS 179 Ca 0.04 -1.60 -0.20 0.00 -2.02 0.00 0.00 58.31 54.54 1gj8 n LYS 179 Cb 0.31 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1gj8 n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1gj8 s MET 180 N -1.44 1.44 0.02 1.97 -1.94 -0.94 -1.40 119.30 117.01 1gj8 s MET 180 Ca 0.30 -1.71 0.02 0.00 -1.71 0.00 0.00 55.69 52.58 1gj8 s MET 180 Cb 0.16 -1.02 -0.02 0.00 2.01 0.00 0.00 34.83 35.96 1gj8 s MET 180 CO 0.19 0.04 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.67 1gj8 s LEU 181 N -3.38 2.17 0.04 -0.03 1.43 -0.07 -4.71 118.68 114.13 1gj8 s LEU 181 Ca 0.27 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1gj8 s LEU 181 Cb 0.03 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 1gj8 s LEU 181 CO 0.10 -0.12 -0.19 0.00 0.23 0.00 0.00 176.35 176.37 1gj8 s ALA 183 N -0.92 -0.38 0.26 0.00 0.00 -0.86 -1.92 121.76 117.96 1gj8 s ALA 183 Ca 0.14 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1gj8 s ALA 183 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1gj8 s ALA 183 CO 0.05 -0.08 0.51 0.00 0.00 0.00 0.00 175.76 176.24 1gj8 s ALA 184 N 0.13 -0.25 -0.14 0.00 0.00 -0.26 -1.60 121.76 119.64 1gj8 s ALA 184 Ca -0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1gj8 s ALA 184 Cb -0.02 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 1gj8 s ALA 184 CO -0.00 -0.87 0.24 0.34 0.00 0.00 0.00 175.76 175.47 1gj8 s ASP 185 N -3.03 6.42 0.41 0.00 3.68 -1.26 -0.91 116.67 121.97 1gj8 s ASP 185 Ca 0.22 0.49 0.25 0.00 2.13 0.00 0.00 52.55 55.64 1gj8 s ASP 185 Cb -0.01 -2.14 1.33 0.00 -1.45 0.00 0.00 42.92 40.65 1gj8 s ASP 185 CO 0.10 0.22 1.63 -0.65 0.13 0.00 0.00 175.17 176.60 1gj8 h PRO 185 N 6.04 0.13 -0.48 4.34 0.11 -1.95 0.12 132.00 140.30 1gj8 h PRO 185 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1gj8 h PRO 185 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1gj8 h PRO 185 CO 0.70 0.08 0.00 1.04 -0.21 0.00 0.00 178.00 179.61 1gj8 n GLN 185 N -4.86 3.59 -4.20 1.05 6.02 -1.26 -4.95 117.38 112.77 1gj8 n GLN 185 Ca 0.36 -2.80 -0.34 0.00 -0.01 0.00 0.00 57.00 54.20 1gj8 n GLN 185 Cb 1.29 -1.86 -0.04 0.00 1.02 0.00 0.00 30.24 30.66 1gj8 n GLN 185 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1gj8 n TRP 186 N 0.47 -1.62 -0.08 1.08 7.02 0.40 -4.88 117.44 119.83 1gj8 n TRP 186 Ca 0.23 0.76 -0.06 0.00 -1.02 0.00 0.00 57.50 57.40 1gj8 n TRP 186 Cb 0.88 -3.02 -0.14 0.00 -2.42 0.00 0.00 31.31 26.60 1gj8 n TRP 186 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1gj8 n LYS 187 N -4.38 0.99 -4.36 -0.99 5.02 -1.26 -4.59 118.16 108.60 1gj8 n LYS 187 Ca -0.05 -0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 1gj8 n LYS 187 Cb 0.55 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 1gj8 n LYS 187 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1gj8 s THR 188 N -2.57 1.63 -0.09 -0.18 -1.32 -1.26 -4.48 115.64 107.37 1gj8 s THR 188 Ca -0.09 -2.17 -0.32 0.00 -1.21 0.00 0.00 61.69 57.91 1gj8 s THR 188 Cb 0.06 -2.14 0.12 0.00 -1.51 0.00 0.00 72.50 69.03 1gj8 s THR 188 CO 0.75 -0.52 1.40 -0.62 -2.21 0.00 0.00 174.62 173.41 1gj8 s ASP 189 N -3.33 -0.00 0.52 8.08 2.15 -1.08 -4.33 116.67 118.68 1gj8 s ASP 189 Ca 0.24 -0.02 -0.01 0.00 0.43 0.00 0.00 52.55 53.20 1gj8 s ASP 189 Cb 0.01 0.01 0.02 0.00 -0.30 0.00 0.00 42.92 42.66 1gj8 s ASP 189 CO 0.08 -0.02 0.76 -0.94 -0.17 0.00 0.00 175.17 174.88 1gj8 s SER 190 N -3.58 5.54 0.29 -0.34 1.04 -1.26 -1.53 113.70 113.85 1gj8 s SER 190 Ca 0.25 0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 1gj8 s SER 190 Cb 0.03 -1.31 0.03 0.00 0.10 0.00 0.00 66.02 64.87 1gj8 s SER 190 CO -0.04 -0.97 0.52 0.00 0.98 0.00 0.00 173.24 173.73 1gj8 n GLN 192 N -0.41 1.87 0.00 0.00 7.27 -1.26 -0.47 117.38 124.38 1gj8 n GLN 192 Ca -0.04 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1gj8 n GLN 192 Cb 0.44 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.77 1gj8 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gj8 n GLY 193 N 2.45 3.32 0.04 1.69 0.00 -1.26 -0.45 105.19 110.98 1gj8 n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1gj8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gj8 n ASP 194 N 0.00 0.61 -4.44 1.61 8.00 0.38 -3.77 116.55 118.95 1gj8 n ASP 194 Ca 0.00 0.04 -0.47 0.00 0.71 0.00 0.00 54.79 55.07 1gj8 n ASP 194 Cb 0.00 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1gj8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1gj8 n SER 195 N -1.92 -0.72 0.00 -2.24 7.64 -1.26 -2.30 113.62 112.82 1gj8 n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1gj8 n SER 195 Cb 0.41 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1gj8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gj8 n GLY 196 N 1.84 2.78 3.92 0.23 0.00 0.51 -1.93 105.19 112.54 1gj8 n GLY 196 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1gj8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gj8 s GLY 197 N -1.67 1.76 0.21 -0.02 0.00 -0.97 -3.28 107.32 103.34 1gj8 s GLY 197 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 1gj8 s GLY 197 CO 0.00 -0.39 0.49 2.56 0.00 0.00 0.00 173.10 175.76 1gj8 s PRO 198 N -5.84 3.70 -0.27 2.90 0.04 -1.26 -0.76 135.00 133.50 1gj8 s PRO 198 Ca 0.73 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.87 1gj8 s PRO 198 Cb -0.05 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.83 1gj8 s PRO 198 CO 0.53 0.35 -0.07 -1.17 0.04 0.00 0.00 177.00 176.68 1gj8 s LEU 199 N -2.92 3.59 -0.14 -3.56 2.96 0.08 -3.67 118.68 115.03 1gj8 s LEU 199 Ca 0.44 -1.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.00 1gj8 s LEU 199 Cb -0.11 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1gj8 s LEU 199 CO 0.24 -0.21 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.28 1gj8 s VAL 200 N 1.16 3.40 0.11 1.68 1.01 -0.08 -0.92 120.40 126.75 1gj8 s VAL 200 Ca -0.07 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1gj8 s VAL 200 Cb -0.20 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1gj8 s VAL 200 CO -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 1gj8 s SER 202 N -2.95 6.94 -0.03 0.00 0.01 -1.26 -0.46 113.70 115.95 1gj8 s SER 202 Ca 0.11 1.13 0.01 0.00 1.31 0.00 0.00 55.95 58.51 1gj8 s SER 202 Cb 0.03 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.90 1gj8 s SER 202 CO -0.03 -0.03 -0.02 -0.22 0.41 0.00 0.00 173.24 173.36 1gj8 s LEU 203 N 0.45 1.27 -1.73 2.44 0.20 0.89 -4.81 118.68 117.40 1gj8 s LEU 203 Ca 0.34 -0.07 -0.20 0.00 0.69 0.00 0.00 54.13 54.89 1gj8 s LEU 203 Cb -0.18 -0.31 0.18 0.00 -0.43 0.00 0.00 46.19 45.46 1gj8 s LEU 203 CO 0.17 -0.08 0.71 0.00 -0.29 0.00 0.00 176.35 176.86 1gj8 n GLN 204 N 4.05 -2.30 -0.69 1.98 6.02 -1.26 -0.40 117.38 124.78 1gj8 n GLN 204 Ca -0.26 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1gj8 n GLN 204 Cb 0.51 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.80 1gj8 n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gj8 n GLY 205 N -1.25 1.34 3.54 1.08 0.00 -1.26 -5.03 105.19 103.61 1gj8 n GLY 205 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1gj8 n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gj8 s ARG 206 N -0.11 1.93 -0.34 1.61 0.52 0.47 -5.06 118.95 117.96 1gj8 s ARG 206 Ca 0.00 -1.43 -0.22 0.00 -0.52 0.00 0.00 55.73 53.56 1gj8 s ARG 206 Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1gj8 s ARG 206 CO 0.00 0.40 0.69 -1.64 0.02 0.00 0.00 175.30 174.77 1gj8 s MET 207 N -3.06 3.77 0.08 3.54 -1.94 -1.26 -0.07 119.30 120.35 1gj8 s MET 207 Ca 0.26 0.23 0.06 0.00 -1.71 0.00 0.00 55.69 54.53 1gj8 s MET 207 Cb -0.08 -3.79 -0.04 0.00 2.01 0.00 0.00 34.83 32.94 1gj8 s MET 207 CO 0.15 -0.73 -0.10 0.99 -0.01 0.00 0.00 175.02 175.31 1gj8 s THR 208 N 2.83 3.37 -0.72 2.05 2.01 0.39 -3.02 115.64 122.55 1gj8 s THR 208 Ca 0.27 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1gj8 s THR 208 Cb -0.14 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 69.88 1gj8 s THR 208 CO 0.15 0.19 1.18 -0.22 -0.69 0.00 0.00 174.62 175.24 1gj8 s LEU 209 N -1.96 3.53 -0.10 4.42 2.96 0.64 -1.58 118.68 126.59 1gj8 s LEU 209 Ca 0.20 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1gj8 s LEU 209 Cb -0.11 -2.52 -0.25 0.00 0.50 0.00 0.00 46.19 43.81 1gj8 s LEU 209 CO 0.12 -1.72 0.45 0.41 -1.32 0.00 0.00 176.35 174.29 1gj8 n THR 210 N 6.24 1.71 -4.06 3.68 -1.04 -0.09 -4.31 114.28 116.41 1gj8 n THR 210 Ca 0.01 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.05 61.21 1gj8 n THR 210 Cb 0.48 -1.45 -0.08 0.00 -1.82 0.00 0.00 70.33 67.45 1gj8 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1gj8 s GLY 211 N -5.44 0.82 -0.12 3.41 0.00 -0.90 -2.69 107.32 102.40 1gj8 s GLY 211 Ca -0.16 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.39 1gj8 s GLY 211 CO 0.79 -1.04 -0.21 -0.42 0.00 0.00 0.00 173.10 172.22 1gj8 s ILE 212 N -4.04 1.88 -0.02 0.90 1.01 -1.06 -0.74 121.20 119.14 1gj8 s ILE 212 Ca 0.25 -0.89 -0.32 0.00 0.00 0.00 0.00 60.65 59.69 1gj8 s ILE 212 Cb 0.04 -1.66 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 1gj8 s ILE 212 CO 0.05 0.52 1.94 0.52 0.00 0.00 0.00 174.94 177.97 1gj8 n VAL 213 N 3.90 0.69 0.01 2.92 0.31 0.06 -1.40 118.33 124.81 1gj8 n VAL 213 Ca -0.20 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1gj8 n VAL 213 Cb 0.52 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1gj8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1gj8 n SER 214 N 7.25 0.42 -1.95 4.52 2.88 -0.72 -0.36 113.62 125.67 1gj8 n SER 214 Ca 0.21 0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.75 1gj8 n SER 214 Cb 0.36 -0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 1gj8 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1gj8 n TRP 215 N -2.89 -1.05 0.00 0.66 4.27 -0.96 -4.90 117.44 112.57 1gj8 n TRP 215 Ca -0.01 -1.10 0.00 0.00 -3.89 0.00 0.00 57.50 52.51 1gj8 n TRP 215 Cb 0.03 0.30 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 1gj8 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1gj8 n GLY 216 N -0.28 2.02 3.54 -1.67 0.00 -1.26 -1.01 105.19 106.53 1gj8 n GLY 216 Ca -0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1gj8 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gj8 s ARG 217 N -2.00 3.53 1.99 1.61 3.52 -1.26 -4.91 118.95 121.43 1gj8 s ARG 217 Ca 0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1gj8 s ARG 217 Cb 0.00 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1gj8 s ARG 217 CO 0.00 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1gj8 n GLY 219 N 5.00 -0.88 2.78 8.12 0.00 -1.26 -4.69 105.19 114.27 1gj8 n GLY 219 Ca -0.10 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 1gj8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gj8 n ALA 221 N 4.16 -1.91 -2.83 0.00 0.00 -1.26 -4.89 120.51 113.78 1gj8 n ALA 221 Ca -0.28 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 1gj8 n ALA 221 Cb 0.50 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 1gj8 n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gj8 s LEU 222 N -6.74 3.98 0.23 0.00 1.43 -1.26 -4.74 118.68 111.58 1gj8 s LEU 222 Ca 0.10 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1gj8 s LEU 222 Cb -0.05 -2.63 -0.09 0.00 0.03 0.00 0.00 46.19 43.46 1gj8 s LEU 222 CO 0.81 0.15 1.29 -0.75 0.23 0.00 0.00 176.35 178.08 1gj8 s LYS 223 N -2.59 4.40 -0.97 1.70 2.20 -1.26 -2.54 119.74 120.68 1gj8 s LYS 223 Ca 0.31 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1gj8 s LYS 223 Cb -0.12 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1gj8 s LYS 223 CO 0.24 -0.20 0.00 -0.25 -0.36 0.00 0.00 175.35 174.78 1gj8 n ASP 223 N 2.17 -5.16 -3.69 1.43 8.00 -1.26 -4.91 116.55 113.12 1gj8 n ASP 223 Ca 0.04 0.23 -0.28 0.00 0.71 0.00 0.00 54.79 55.49 1gj8 n ASP 223 Cb 0.43 -3.47 -0.12 0.00 -0.02 0.00 0.00 41.12 37.94 1gj8 n ASP 223 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1gj8 s LYS 224 N -2.59 1.71 1.14 -1.24 -0.14 -1.05 -4.27 119.74 113.29 1gj8 s LYS 224 Ca 0.00 -2.67 -0.14 0.00 -1.36 0.00 0.00 55.97 51.80 1gj8 s LYS 224 Cb 0.00 -2.54 0.26 0.00 -1.68 0.00 0.00 37.83 33.87 1gj8 s LYS 224 CO 0.00 -1.29 1.05 -2.14 -0.76 0.00 0.00 175.35 172.21 1gj8 s PRO 225 N -0.58 -0.69 0.20 -1.68 0.02 -1.26 -4.26 135.00 126.75 1gj8 s PRO 225 Ca 0.26 0.49 -0.05 0.00 0.02 0.00 0.00 61.00 61.72 1gj8 s PRO 225 Cb -0.06 -1.61 -0.06 0.00 0.02 0.00 0.00 34.50 32.80 1gj8 s PRO 225 CO -0.14 -3.48 0.46 0.20 -0.33 0.00 0.00 177.00 173.71 1gj8 s GLY 226 N -3.14 2.11 -0.05 0.52 0.00 -0.63 -4.49 107.32 101.63 1gj8 s GLY 226 Ca 0.68 -0.52 0.05 0.00 0.00 0.00 0.00 44.72 44.92 1gj8 s GLY 226 CO 0.60 -0.43 -0.19 0.14 0.00 0.00 0.00 173.10 173.22 1gj8 s VAL 227 N -1.82 2.63 0.13 1.40 1.01 -0.18 -2.02 120.40 121.55 1gj8 s VAL 227 Ca 0.43 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1gj8 s VAL 227 Cb -0.11 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1gj8 s VAL 227 CO 0.26 0.58 -0.20 -0.31 0.00 0.00 0.00 175.10 175.42 1gj8 s TYR 228 N -0.52 1.82 0.15 5.22 1.51 0.41 -1.75 117.35 124.20 1gj8 s TYR 228 Ca 0.07 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 1gj8 s TYR 228 Cb -0.11 -0.96 -0.07 0.00 -0.11 0.00 0.00 41.96 40.71 1gj8 s TYR 228 CO 0.01 0.26 1.08 0.99 -1.11 0.00 0.00 175.55 176.78 1gj8 s THR 229 N -1.52 4.03 -0.93 -0.71 2.01 -0.49 -0.89 115.64 117.13 1gj8 s THR 229 Ca 0.10 1.70 -0.21 0.00 0.31 0.00 0.00 61.69 63.59 1gj8 s THR 229 Cb -0.08 -4.09 0.08 0.00 0.01 0.00 0.00 72.50 68.43 1gj8 s THR 229 CO 0.05 0.27 1.26 -0.60 -0.69 0.00 0.00 174.62 174.91 1gj8 s ARG 230 N -0.16 3.52 0.41 4.92 3.52 -0.49 -2.55 118.95 128.13 1gj8 s ARG 230 Ca 0.50 -1.31 0.20 0.00 -0.13 0.00 0.00 55.73 54.98 1gj8 s ARG 230 Cb -0.28 -4.99 1.13 0.00 -1.56 0.00 0.00 34.95 29.25 1gj8 s ARG 230 CO 0.33 -1.98 1.78 0.28 -0.81 0.00 0.00 175.30 174.90 1gj8 h VAL 231 N 6.26 0.53 -0.05 7.11 2.07 -1.82 -1.39 116.25 128.97 1gj8 h VAL 231 Ca 0.11 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1gj8 h VAL 231 Cb 1.02 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1gj8 h VAL 231 CO 1.26 0.07 0.07 0.77 0.02 0.00 0.00 177.57 179.76 1gj8 h SER 232 N 0.37 0.00 -0.02 0.57 4.64 -1.86 -0.90 113.55 116.35 1gj8 h SER 232 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1gj8 h SER 232 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1gj8 h SER 232 CO -0.26 0.00 -0.00 1.41 -0.87 0.00 0.00 176.83 177.11 1gj8 n HIS 233 N -3.61 0.00 -0.01 4.77 -0.00 -0.52 -1.14 115.22 114.71 1gj8 n HIS 233 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1gj8 n HIS 233 Cb 0.16 -0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.17 1gj8 n HIS 233 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1gj8 n PHE 234 N 0.40 0.08 -0.31 4.41 3.01 -0.35 -4.79 117.46 119.90 1gj8 n PHE 234 Ca 0.18 -0.39 0.11 0.00 1.01 0.00 0.00 57.45 58.36 1gj8 n PHE 234 Cb 0.40 -0.04 0.29 0.00 -0.01 0.00 0.00 39.48 40.12 1gj8 n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1gj8 h LEU 235 N 0.45 0.52 -0.18 4.37 3.38 -1.69 0.61 115.31 122.76 1gj8 h LEU 235 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gj8 h LEU 235 Cb 0.45 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1gj8 h LEU 235 CO 0.00 0.14 0.09 -0.65 0.09 0.00 0.00 178.44 178.10 1gj8 h PRO 236 N 0.56 0.26 0.00 1.13 0.11 -1.91 -0.02 132.00 132.13 1gj8 h PRO 236 Ca 0.54 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.64 1gj8 h PRO 236 Cb 0.90 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.91 1gj8 h PRO 236 CO -0.44 0.30 -0.34 2.35 -0.21 0.00 0.00 178.00 179.66 1gj8 h TRP 237 N 0.16 -0.94 -0.10 0.65 7.01 -1.52 0.36 115.95 121.57 1gj8 h TRP 237 Ca 0.06 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.13 1gj8 h TRP 237 Cb 0.12 0.41 -0.06 0.00 -2.10 0.00 0.00 29.16 27.53 1gj8 h TRP 237 CO -0.02 -0.43 -0.39 0.82 -2.79 0.00 0.00 178.44 175.63 1gj8 h ILE 238 N -0.50 0.19 -1.00 2.65 2.04 -0.79 -1.41 117.51 118.70 1gj8 h ILE 238 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1gj8 h ILE 238 Cb 0.58 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1gj8 h ILE 238 CO -0.28 0.00 0.65 0.03 0.00 0.00 0.00 178.15 178.55 1gj8 h ARG 239 N -0.48 1.16 -0.90 2.37 3.08 -0.38 0.24 114.38 119.46 1gj8 h ARG 239 Ca 0.08 -0.07 0.25 0.00 0.07 0.00 0.00 59.98 60.31 1gj8 h ARG 239 Cb 0.61 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1gj8 h ARG 239 CO -0.37 0.77 0.64 0.77 -1.07 0.00 0.00 179.97 180.71 1gj8 h SER 240 N 1.19 0.07 0.00 7.04 0.02 0.84 -2.59 113.55 120.12 1gj8 h SER 240 Ca 0.42 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1gj8 h SER 240 Cb 0.13 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1gj8 h SER 240 CO -0.16 0.02 -0.98 1.41 -1.14 0.00 0.00 176.83 175.98 1gj8 n HIS 241 N -4.31 0.00 -0.17 3.45 8.25 -0.42 -5.10 115.22 116.91 1gj8 n HIS 241 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1gj8 n HIS 241 Cb 0.93 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1gj8 n HIS 241 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39