#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj1 h LYS 3 N 0.00 0.51 -0.27 4.33 2.10 -1.97 -2.15 116.57 119.11 3gj1 h LYS 3 Ca 0.00 -0.06 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 3gj1 h LYS 3 Cb 0.00 -0.10 -0.05 0.00 -0.90 0.00 0.00 32.23 31.18 3gj1 h LYS 3 CO 0.00 0.41 -0.06 0.78 -2.00 0.00 0.00 179.45 178.58 3gj1 h GLY 4 N 0.46 0.20 0.87 0.07 0.00 -1.77 -2.92 103.07 99.99 3gj1 h GLY 4 Ca 0.13 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3gj1 h GLY 4 CO -0.02 -0.10 0.30 0.83 0.00 0.00 0.00 176.54 177.55 3gj1 h GLU 5 N 0.01 0.57 -0.05 4.80 5.08 -1.77 -2.99 114.58 120.24 3gj1 h GLU 5 Ca 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3gj1 h GLU 5 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3gj1 h GLU 5 CO -0.28 0.38 -0.08 1.49 -1.00 0.00 0.00 179.01 179.52 3gj1 h GLU 6 N 0.59 0.07 0.00 2.33 4.22 -1.20 -1.18 114.58 119.41 3gj1 h GLU 6 Ca 0.20 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 3gj1 h GLU 6 Cb 0.03 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gj1 h GLU 6 CO -0.10 0.16 -0.02 -0.07 -2.18 0.00 0.00 179.01 176.81 3gj1 h LEU 7 N 0.07 0.00 -2.48 1.64 3.38 -1.41 -3.06 115.31 113.45 3gj1 h LEU 7 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gj1 h LEU 7 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gj1 h LEU 7 CO 0.01 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.05 3gj1 n PHE 8 N -3.52 0.28 0.20 1.13 3.72 -0.45 -4.65 117.46 114.17 3gj1 n PHE 8 Ca -0.03 -0.36 0.07 0.00 -0.05 0.00 0.00 57.45 57.08 3gj1 n PHE 8 Cb 0.10 -0.02 0.38 0.00 -0.94 0.00 0.00 39.48 39.01 3gj1 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gj1 h THR 9 N 1.71 0.78 -3.48 4.37 1.35 -1.58 -3.37 112.91 112.70 3gj1 h THR 9 Ca 0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3gj1 h THR 9 Cb 0.61 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3gj1 h THR 9 CO 0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3gj1 n GLY 10 N 0.17 2.10 3.72 5.82 0.00 -1.26 -4.71 105.19 111.01 3gj1 n GLY 10 Ca -0.00 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3gj1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj1 s VAL 11 N 1.46 5.23 -0.12 1.61 1.01 -1.26 -4.43 120.40 123.90 3gj1 s VAL 11 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3gj1 s VAL 11 Cb 0.00 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3gj1 s VAL 11 CO 0.00 0.33 -0.15 -0.69 0.00 0.00 0.00 175.10 174.60 3gj1 s VAL 12 N 0.69 2.91 0.48 2.92 1.01 0.47 -4.93 120.40 123.95 3gj1 s VAL 12 Ca 0.22 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 3gj1 s VAL 12 Cb -0.14 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 3gj1 s VAL 12 CO 0.08 0.54 1.17 -2.84 0.00 0.00 0.00 175.10 174.04 3gj1 s PRO 13 N 0.23 3.67 -0.00 2.72 0.02 -1.26 -0.40 135.00 139.97 3gj1 s PRO 13 Ca -0.10 1.78 0.05 0.00 0.02 0.00 0.00 61.00 62.76 3gj1 s PRO 13 Cb -0.16 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 32.00 3gj1 s PRO 13 CO 0.06 -0.63 -0.16 0.42 -0.33 0.00 0.00 177.00 176.36 3gj1 s ILE 14 N -1.56 1.26 0.04 2.83 1.01 0.48 -0.98 121.20 124.28 3gj1 s ILE 14 Ca 0.65 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.65 3gj1 s ILE 14 Cb -0.29 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 3gj1 s ILE 14 CO 0.34 0.32 -0.22 -0.76 0.00 0.00 0.00 174.94 174.63 3gj1 s LEU 15 N -0.48 2.15 -0.03 2.97 1.02 -0.70 -1.63 118.68 121.98 3gj1 s LEU 15 Ca 0.06 -0.51 0.04 0.00 0.02 0.00 0.00 54.13 53.73 3gj1 s LEU 15 Cb -0.06 -1.03 -0.00 0.00 0.02 0.00 0.00 46.19 45.11 3gj1 s LEU 15 CO -0.00 0.19 -0.14 -0.69 0.02 0.00 0.00 176.35 175.73 3gj1 s VAL 16 N -0.76 1.16 -0.05 -1.59 1.01 0.08 -0.48 120.40 119.77 3gj1 s VAL 16 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3gj1 s VAL 16 Cb -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3gj1 s VAL 16 CO 0.01 0.34 -0.03 -1.61 0.00 0.00 0.00 175.10 173.82 3gj1 s GLU 17 N 0.05 0.72 -0.06 2.72 0.41 -0.59 0.29 118.70 122.24 3gj1 s GLU 17 Ca -0.02 -0.04 0.03 0.00 -0.41 0.00 0.00 54.97 54.53 3gj1 s GLU 17 Cb -0.10 -0.84 0.00 0.00 -1.78 0.00 0.00 34.13 31.42 3gj1 s GLU 17 CO 0.01 -0.14 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.32 3gj1 s LEU 18 N 1.18 1.80 -0.16 1.80 0.20 -0.46 -0.63 118.68 122.40 3gj1 s LEU 18 Ca -0.07 -0.33 -0.05 0.00 0.69 0.00 0.00 54.13 54.37 3gj1 s LEU 18 Cb -0.14 -0.91 -0.03 0.00 -0.43 0.00 0.00 46.19 44.68 3gj1 s LEU 18 CO -0.01 0.09 -0.00 -1.81 -0.29 0.00 0.00 176.35 174.32 3gj1 s ASP 19 N 0.36 5.09 0.04 3.68 1.01 -0.54 -1.51 116.67 124.79 3gj1 s ASP 19 Ca -0.10 -0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.17 3gj1 s ASP 19 Cb -0.14 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 3gj1 s ASP 19 CO 0.03 0.19 -0.14 -0.83 0.21 0.00 0.00 175.17 174.63 3gj1 s GLY 20 N 0.25 0.80 -0.23 0.21 0.00 0.16 -0.45 107.32 108.06 3gj1 s GLY 20 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 3gj1 s GLY 20 CO 0.02 -0.82 0.21 -0.35 0.00 0.00 0.00 173.10 172.16 3gj1 s ASP 21 N -1.17 1.88 -0.28 1.64 -1.08 -0.49 -0.67 116.67 116.50 3gj1 s ASP 21 Ca 0.01 -0.55 -0.02 0.00 -0.52 0.00 0.00 52.55 51.47 3gj1 s ASP 21 Cb -0.08 0.23 0.04 0.00 -1.46 0.00 0.00 42.92 41.65 3gj1 s ASP 21 CO 0.01 -0.36 -0.01 -0.69 0.52 0.00 0.00 175.17 174.64 3gj1 s VAL 22 N 2.28 3.09 -1.18 1.11 1.01 -0.53 -0.15 120.40 126.03 3gj1 s VAL 22 Ca 0.07 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 3gj1 s VAL 22 Cb -0.15 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.57 3gj1 s VAL 22 CO -0.20 0.01 0.72 0.59 0.00 0.00 0.00 175.10 176.22 3gj1 n ASN 23 N 4.67 -4.57 0.00 3.32 3.02 -0.60 -1.33 115.26 119.77 3gj1 n ASN 23 Ca -0.14 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3gj1 n ASN 23 Cb 0.45 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.38 3gj1 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gj1 n GLY 24 N -1.95 0.29 3.56 7.41 0.00 -1.26 -4.92 105.19 108.31 3gj1 n GLY 24 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3gj1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gj1 s HIS 25 N -1.49 2.32 -0.15 1.61 3.76 -0.44 -5.01 115.29 115.89 3gj1 s HIS 25 Ca 0.00 0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 54.83 3gj1 s HIS 25 Cb 0.00 -4.55 -0.02 0.00 1.11 0.00 0.00 32.58 29.12 3gj1 s HIS 25 CO 0.00 -1.96 0.76 0.15 -0.85 0.00 0.00 174.74 172.84 3gj1 s LYS 26 N 5.60 4.31 0.04 1.40 1.02 -1.26 -1.45 119.74 129.40 3gj1 s LYS 26 Ca 0.40 0.90 -0.03 0.00 0.02 0.00 0.00 55.97 57.27 3gj1 s LYS 26 Cb -0.08 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3gj1 s LYS 26 CO 0.19 -0.23 0.03 -0.59 -0.92 0.00 0.00 175.35 173.83 3gj1 s PHE 27 N 1.81 0.29 0.02 3.18 -0.12 0.16 -4.99 117.98 118.32 3gj1 s PHE 27 Ca 0.36 -0.64 0.07 0.00 -0.05 0.00 0.00 56.93 56.68 3gj1 s PHE 27 Cb -0.17 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 41.99 3gj1 s PHE 27 CO 0.13 -0.32 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.65 3gj1 s SER 28 N -2.12 2.54 0.00 1.98 0.01 -1.26 0.35 113.70 115.21 3gj1 s SER 28 Ca -0.05 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.80 3gj1 s SER 28 Cb -0.02 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 3gj1 s SER 28 CO -0.05 0.21 -0.20 -0.69 0.41 0.00 0.00 173.24 172.92 3gj1 s VAL 29 N -0.68 1.58 -0.05 3.43 1.01 -0.57 -1.63 120.40 123.50 3gj1 s VAL 29 Ca 0.08 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3gj1 s VAL 29 Cb -0.09 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3gj1 s VAL 29 CO 0.01 0.36 -0.24 -0.44 0.00 0.00 0.00 175.10 174.79 3gj1 s SER 30 N -0.69 2.90 0.17 3.32 0.01 -0.32 -1.36 113.70 117.73 3gj1 s SER 30 Ca 0.07 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.90 3gj1 s SER 30 Cb -0.08 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 3gj1 s SER 30 CO 0.00 0.24 -0.08 -0.83 0.41 0.00 0.00 173.24 172.98 3gj1 s GLY 31 N -0.20 1.21 0.03 3.44 0.00 0.14 -0.93 107.32 111.00 3gj1 s GLY 31 Ca -0.01 -1.57 -0.23 0.00 0.00 0.00 0.00 44.72 42.91 3gj1 s GLY 31 CO 0.03 -1.62 0.52 -1.83 0.00 0.00 0.00 173.10 170.20 3gj1 s GLU 32 N -3.77 1.01 0.00 2.90 4.04 -0.46 -0.74 118.70 121.69 3gj1 s GLU 32 Ca 0.20 -0.17 0.00 0.00 0.04 0.00 0.00 54.97 55.03 3gj1 s GLU 32 Cb 0.03 0.46 0.00 0.00 0.02 0.00 0.00 34.13 34.64 3gj1 s GLU 32 CO 0.03 -0.35 0.00 0.41 -1.84 0.00 0.00 175.26 173.50 3gj1 n GLY 33 N 0.53 -0.70 3.39 -3.83 0.00 -0.65 -1.36 105.19 102.57 3gj1 n GLY 33 Ca -0.19 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3gj1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gj1 s GLU 34 N -1.19 1.07 0.00 1.61 -1.05 -0.59 -0.39 118.70 118.16 3gj1 s GLU 34 Ca 0.00 -0.32 0.08 0.00 -0.15 0.00 0.00 54.97 54.57 3gj1 s GLU 34 Cb 0.00 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 3gj1 s GLU 34 CO 0.00 -0.40 -0.23 0.20 0.95 0.00 0.00 175.26 175.77 3gj1 s GLY 35 N -2.18 1.17 -0.50 -3.83 0.00 0.46 -1.96 107.32 100.48 3gj1 s GLY 35 Ca -0.03 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.67 3gj1 s GLY 35 CO -0.04 -0.90 0.35 -0.35 0.00 0.00 0.00 173.10 172.15 3gj1 s ASP 36 N -0.74 3.16 0.54 1.64 -1.08 0.21 -0.39 116.67 120.01 3gj1 s ASP 36 Ca 0.09 -3.13 0.24 0.00 -0.52 0.00 0.00 52.55 49.23 3gj1 s ASP 36 Cb -0.09 -0.97 1.51 0.00 -1.46 0.00 0.00 42.92 41.91 3gj1 s ASP 36 CO -0.00 -0.18 2.16 0.00 0.52 0.00 0.00 175.17 177.67 3gj1 h ALA 37 N 5.95 1.59 -1.00 3.66 0.00 -1.72 -1.84 119.26 125.90 3gj1 h ALA 37 Ca 0.14 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.24 3gj1 h ALA 37 Cb 0.87 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3gj1 h ALA 37 CO 0.50 0.07 0.65 1.15 0.00 0.00 0.00 179.25 181.62 3gj1 h THR 38 N 0.00 0.58 -0.01 0.00 2.02 -1.85 -2.27 112.91 111.39 3gj1 h THR 38 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3gj1 h THR 38 Cb 0.12 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3gj1 h THR 38 CO 0.01 0.07 -0.26 -1.22 0.37 0.00 0.00 175.52 174.49 3gj1 n TYR 39 N -4.57 0.00 -1.88 3.16 4.01 -0.82 -4.89 117.16 112.17 3gj1 n TYR 39 Ca 0.23 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.89 3gj1 n TYR 39 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.83 3gj1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gj1 n GLY 40 N 0.99 0.33 3.67 2.72 0.00 -0.76 -4.73 105.19 107.40 3gj1 n GLY 40 Ca 0.05 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3gj1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj1 s LYS 41 N -3.89 3.98 0.01 1.61 2.20 -0.77 -0.33 119.74 122.54 3gj1 s LYS 41 Ca 0.00 -0.31 0.06 0.00 -0.36 0.00 0.00 55.97 55.37 3gj1 s LYS 41 Cb 0.00 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 3gj1 s LYS 41 CO 0.00 0.32 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.61 3gj1 s LEU 42 N 0.26 2.09 -0.07 5.43 1.43 -0.16 -0.62 118.68 127.04 3gj1 s LEU 42 Ca 0.05 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3gj1 s LEU 42 Cb -0.12 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.18 3gj1 s LEU 42 CO -0.00 0.19 -0.00 0.42 0.23 0.00 0.00 176.35 177.19 3gj1 s THR 43 N -0.59 0.42 0.03 5.49 -4.23 -0.83 -1.70 115.64 114.23 3gj1 s THR 43 Ca 0.07 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 3gj1 s THR 43 Cb -0.08 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.18 3gj1 s THR 43 CO 0.00 0.27 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.58 3gj1 s LEU 44 N 1.93 2.20 -0.02 4.79 1.43 -0.04 -1.55 118.68 127.42 3gj1 s LEU 44 Ca 0.05 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3gj1 s LEU 44 Cb -0.12 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.31 3gj1 s LEU 44 CO -0.05 -0.38 -0.05 -0.75 0.23 0.00 0.00 176.35 175.35 3gj1 s LYS 45 N -1.99 0.59 -0.04 1.70 2.20 -0.47 -0.24 119.74 121.49 3gj1 s LYS 45 Ca -0.11 -0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.38 3gj1 s LYS 45 Cb -0.06 -0.59 -0.01 0.00 -1.51 0.00 0.00 37.83 35.67 3gj1 s LYS 45 CO -0.03 0.06 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.78 3gj1 s PHE 46 N 0.21 1.84 -0.06 4.03 0.08 -0.16 -1.35 117.98 122.56 3gj1 s PHE 46 Ca -0.02 -0.49 0.05 0.00 0.12 0.00 0.00 56.93 56.58 3gj1 s PHE 46 Cb -0.06 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3gj1 s PHE 46 CO -0.00 -0.15 -0.20 0.42 -0.10 0.00 0.00 175.22 175.20 3gj1 s ILE 47 N -0.10 2.54 -0.61 0.64 -1.09 -0.11 -1.09 121.20 121.37 3gj1 s ILE 47 Ca -0.01 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 57.28 3gj1 s ILE 47 Cb -0.11 -1.97 0.06 0.00 -1.58 0.00 0.00 42.46 38.86 3gj1 s ILE 47 CO 0.02 0.57 0.96 0.00 -1.23 0.00 0.00 174.94 175.26 3gj1 n THR 49 N 6.05 0.03 0.59 0.00 -2.24 -0.64 -2.60 114.28 115.46 3gj1 n THR 49 Ca -0.01 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 3gj1 n THR 49 Cb 0.46 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 3gj1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gj1 n THR 50 N -1.36 0.04 0.00 4.28 -2.24 -1.24 -4.98 114.28 108.78 3gj1 n THR 50 Ca 0.12 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3gj1 n THR 50 Cb 0.27 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3gj1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj1 n GLY 51 N 1.40 0.32 3.74 3.38 0.00 -1.07 -5.01 105.19 107.94 3gj1 n GLY 51 Ca 0.01 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3gj1 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj1 s LYS 52 N 0.00 4.66 0.02 1.61 2.36 -1.26 -4.60 119.74 122.53 3gj1 s LYS 52 Ca 0.00 1.65 -0.30 0.00 -2.55 0.00 0.00 55.97 54.77 3gj1 s LYS 52 Cb 0.00 -3.28 -0.04 0.00 -1.05 0.00 0.00 37.83 33.46 3gj1 s LYS 52 CO 0.00 0.18 1.05 -1.17 1.55 0.00 0.00 175.35 176.96 3gj1 s LEU 53 N -0.57 4.37 0.09 5.43 2.96 -1.26 -4.95 118.68 124.74 3gj1 s LEU 53 Ca 0.47 1.77 0.28 0.00 -0.22 0.00 0.00 54.13 56.43 3gj1 s LEU 53 Cb -0.28 -3.57 1.01 0.00 0.50 0.00 0.00 46.19 43.85 3gj1 s LEU 53 CO 0.34 -0.33 1.83 -0.81 -1.32 0.00 0.00 176.35 176.07 3gj1 n PRO 54 N 3.90 0.12 -4.46 0.98 -0.04 -1.26 -4.82 135.00 129.41 3gj1 n PRO 54 Ca 0.07 0.09 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 3gj1 n PRO 54 Cb 0.50 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 3gj1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gj1 s VAL 55 N -3.05 2.47 0.31 0.52 -7.23 -1.26 -4.54 120.40 107.62 3gj1 s VAL 55 Ca 0.12 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 3gj1 s VAL 55 Cb 0.16 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 3gj1 s VAL 55 CO 0.57 -0.27 1.25 -2.84 -0.31 0.00 0.00 175.10 173.49 3gj1 s PRO 56 N -3.61 4.44 0.26 4.82 0.02 -1.26 -4.92 135.00 134.76 3gj1 s PRO 56 Ca 0.32 2.09 -0.08 0.00 0.02 0.00 0.00 61.00 63.35 3gj1 s PRO 56 Cb -0.01 -3.11 0.44 0.00 0.02 0.00 0.00 34.50 31.84 3gj1 s PRO 56 CO 0.17 -0.07 1.59 -1.49 -0.33 0.00 0.00 177.00 176.87 3gj1 h TRP 57 N 3.63 -0.34 -0.01 6.54 4.06 -1.97 -1.66 115.95 126.19 3gj1 h TRP 57 Ca -0.48 0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.55 3gj1 h TRP 57 Cb 1.22 0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 29.67 3gj1 h TRP 57 CO 0.57 -0.36 0.01 -1.35 -3.56 0.00 0.00 178.44 173.76 3gj1 h PRO 58 N 0.02 0.00 0.00 0.49 0.11 -1.89 -0.64 132.00 130.09 3gj1 h PRO 58 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3gj1 h PRO 58 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3gj1 h PRO 58 CO -0.86 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.18 3gj1 n THR 59 N -4.02 0.78 0.65 -1.15 -2.24 -0.62 -2.49 114.28 105.18 3gj1 n THR 59 Ca -0.03 0.19 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 3gj1 n THR 59 Cb 0.10 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 3gj1 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gj1 n LEU 60 N -1.40 1.69 -0.00 3.22 4.77 -0.25 -4.69 117.00 120.34 3gj1 n LEU 60 Ca 0.05 -0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 55.12 3gj1 n LEU 60 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3gj1 n LEU 60 CO 0.13 0.32 0.80 0.58 -1.33 0.00 0.00 177.39 177.89 3gj1 h VAL 61 N 1.93 0.73 -0.08 4.08 2.07 -1.53 -1.51 116.25 121.93 3gj1 h VAL 61 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3gj1 h VAL 61 Cb 0.53 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3gj1 h VAL 61 CO 0.00 0.00 -0.24 0.71 0.02 0.00 0.00 177.57 178.06 3gj1 h THR 62 N -0.10 1.21 -0.21 2.57 1.35 -1.83 -2.82 112.91 113.07 3gj1 h THR 62 Ca 0.08 -1.00 -0.08 0.00 -0.55 0.00 0.00 66.41 64.86 3gj1 h THR 62 Cb 0.22 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3gj1 h THR 62 CO -0.18 0.30 -0.18 0.74 -0.25 0.00 0.00 175.52 175.94 3gj1 h THR 63 N 0.13 1.32 0.00 6.82 2.02 -1.71 -3.46 112.91 118.03 3gj1 h THR 63 Ca 0.02 -1.32 -0.16 0.00 0.77 0.00 0.00 66.41 65.72 3gj1 h THR 63 Cb 0.51 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3gj1 h THR 63 CO 0.04 0.41 0.96 0.49 0.37 0.00 0.00 175.52 177.79 3gj1 n PHE 64 N -4.45 0.41 0.00 3.16 3.72 -0.63 -5.05 117.46 114.62 3gj1 n PHE 64 Ca -0.05 -1.02 0.00 0.00 -0.05 0.00 0.00 57.45 56.33 3gj1 n PHE 64 Cb 0.39 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 3gj1 n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gj1 n VAL 68 N 3.44 0.00 0.40 -4.37 0.24 -1.26 -5.00 118.33 111.78 3gj1 n VAL 68 Ca 0.24 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.58 3gj1 n VAL 68 Cb 0.27 0.00 0.21 0.00 -1.47 0.00 0.00 33.84 32.85 3gj1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj1 n GLN 69 N 0.00 0.13 0.19 7.34 6.02 -1.26 -0.84 117.38 128.95 3gj1 n GLN 69 Ca 0.00 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 3gj1 n GLN 69 Cb 0.00 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.43 3gj1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj1 n PHE 71 N -2.37 0.25 -2.05 0.00 3.72 -0.02 -4.69 117.46 112.29 3gj1 n PHE 71 Ca -0.02 -0.13 -0.38 0.00 -0.05 0.00 0.00 57.45 56.88 3gj1 n PHE 71 Cb 0.05 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 3gj1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gj1 s SER 72 N -1.49 5.82 -0.54 4.37 0.01 -0.91 -3.96 113.70 116.99 3gj1 s SER 72 Ca 0.31 2.52 -0.28 0.00 1.31 0.00 0.00 55.95 59.81 3gj1 s SER 72 Cb 0.17 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.80 3gj1 s SER 72 CO 0.25 -1.17 1.25 -0.60 0.41 0.00 0.00 173.24 173.38 3gj1 s ARG 73 N -2.75 3.53 -0.39 12.44 3.52 -0.40 -4.78 118.95 130.13 3gj1 s ARG 73 Ca 0.66 0.44 -0.19 0.00 -0.13 0.00 0.00 55.73 56.51 3gj1 s ARG 73 Cb -0.34 -4.01 0.01 0.00 -1.56 0.00 0.00 34.95 29.05 3gj1 s ARG 73 CO 0.41 -1.65 0.53 0.71 -0.81 0.00 0.00 175.30 174.49 3gj1 s TYR 74 N 5.11 3.14 0.45 5.12 1.51 -1.26 -0.14 117.35 131.29 3gj1 s TYR 74 Ca 0.48 -0.02 -0.22 0.00 -1.01 0.00 0.00 57.07 56.30 3gj1 s TYR 74 Cb -0.09 -3.03 -0.11 0.00 -0.11 0.00 0.00 41.96 38.62 3gj1 s TYR 74 CO 0.28 -0.67 0.75 -2.30 -1.11 0.00 0.00 175.55 172.50 3gj1 n PRO 75 N 5.85 0.87 -0.14 -1.71 -0.02 -1.26 -4.73 135.00 133.86 3gj1 n PRO 75 Ca -0.05 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3gj1 n PRO 75 Cb 0.48 -1.78 0.45 0.00 -0.02 0.00 0.00 33.50 32.63 3gj1 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3gj1 h ASP 76 N 0.97 0.49 0.15 2.55 3.58 -2.01 0.21 116.42 122.35 3gj1 h ASP 76 Ca -0.43 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.03 3gj1 h ASP 76 Cb 1.37 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3gj1 h ASP 76 CO 0.53 0.29 0.00 1.12 -2.88 0.00 0.00 179.24 178.30 3gj1 h HIS 77 N 0.54 0.00 -0.24 0.28 2.07 -2.01 -1.68 115.15 114.11 3gj1 h HIS 77 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 3gj1 h HIS 77 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 3gj1 h HIS 77 CO -0.00 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.53 3gj1 n MET 78 N -2.70 2.80 -0.20 5.12 2.81 0.72 -4.78 117.12 120.89 3gj1 n MET 78 Ca -0.02 -2.80 0.13 0.00 -1.81 0.00 0.00 57.70 53.20 3gj1 n MET 78 Cb 0.09 -1.81 0.45 0.00 -0.71 0.00 0.00 33.22 31.24 3gj1 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gj1 h LYS 79 N 1.67 0.52 0.00 0.03 1.57 -1.19 -0.66 116.57 118.50 3gj1 h LYS 79 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gj1 h LYS 79 Cb 1.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3gj1 h LYS 79 CO 0.20 0.34 0.00 2.89 -0.57 0.00 0.00 179.45 182.31 3gj1 n ARG 80 N -4.51 0.19 -0.41 3.15 0.00 -1.26 -2.87 116.66 110.96 3gj1 n ARG 80 Ca 0.15 0.15 0.09 0.00 -0.00 0.00 0.00 57.85 58.24 3gj1 n ARG 80 Cb 0.48 -1.50 0.28 0.00 -0.00 0.00 0.00 32.46 31.72 3gj1 n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3gj1 n HIS 81 N -1.31 1.01 -3.30 2.89 8.25 -0.25 -4.55 115.22 117.95 3gj1 n HIS 81 Ca 0.07 -0.57 -0.45 0.00 -0.26 0.00 0.00 57.72 56.50 3gj1 n HIS 81 Cb 0.13 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 3gj1 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gj1 s ASP 82 N -1.06 7.14 0.22 0.41 -1.08 -1.14 -4.57 116.67 116.59 3gj1 s ASP 82 Ca 0.42 -3.27 -0.09 0.00 -0.52 0.00 0.00 52.55 49.09 3gj1 s ASP 82 Cb 0.25 -2.23 0.19 0.00 -1.46 0.00 0.00 42.92 39.67 3gj1 s ASP 82 CO 0.23 -0.42 1.88 0.15 0.52 0.00 0.00 175.17 177.54 3gj1 h PHE 83 N 7.06 0.98 -0.12 -5.34 3.57 -1.89 -2.86 116.94 118.35 3gj1 h PHE 83 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3gj1 h PHE 83 Cb 0.92 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3gj1 h PHE 83 CO 0.87 0.60 0.07 0.74 -2.23 0.00 0.00 178.31 178.36 3gj1 h PHE 84 N 1.05 0.16 -0.09 0.41 0.04 -1.89 -1.48 116.94 115.15 3gj1 h PHE 84 Ca 0.30 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.95 3gj1 h PHE 84 Cb -0.09 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 3gj1 h PHE 84 CO -0.02 0.17 -0.45 0.87 -0.60 0.00 0.00 178.31 178.28 3gj1 h LYS 85 N 0.11 0.22 0.00 1.51 1.57 -1.84 -3.01 116.57 115.13 3gj1 h LYS 85 Ca 0.04 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3gj1 h LYS 85 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3gj1 h LYS 85 CO -0.01 0.63 -0.10 0.66 -0.57 0.00 0.00 179.45 180.07 3gj1 h SER 86 N 0.18 0.00 0.92 0.86 4.64 -1.05 -0.79 113.55 118.31 3gj1 h SER 86 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gj1 h SER 86 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3gj1 h SER 86 CO 0.07 0.10 -0.02 0.00 -0.87 0.00 0.00 176.83 176.11 3gj1 n ALA 87 N -2.31 2.40 -2.15 5.18 0.00 -0.83 -4.77 120.51 118.02 3gj1 n ALA 87 Ca -0.02 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 3gj1 n ALA 87 Cb 0.20 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 3gj1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gj1 s MET 88 N -2.93 4.02 0.19 0.00 1.00 -0.30 -0.14 119.30 121.14 3gj1 s MET 88 Ca 0.16 0.67 0.24 0.00 0.00 0.00 0.00 55.69 56.76 3gj1 s MET 88 Cb 0.19 -2.49 0.38 0.00 0.00 0.00 0.00 34.83 32.91 3gj1 s MET 88 CO 0.53 0.19 1.40 -1.00 0.00 0.00 0.00 175.02 176.14 3gj1 h PRO 89 N 2.40 0.00 0.00 2.03 0.13 -1.89 -3.36 132.00 131.30 3gj1 h PRO 89 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3gj1 h PRO 89 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gj1 h PRO 89 CO 0.66 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.23 3gj1 h GLU 90 N 0.00 0.00 0.00 0.86 5.08 -1.90 -2.42 114.58 116.20 3gj1 h GLU 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gj1 h GLU 90 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3gj1 h GLU 90 CO 0.00 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 3gj1 n GLY 91 N -1.13 -1.74 3.13 -3.84 0.00 0.80 -4.63 105.19 97.79 3gj1 n GLY 91 Ca -0.03 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 3gj1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gj1 s TYR 92 N 0.00 0.78 -0.01 1.61 -0.85 -0.15 -0.85 117.35 117.87 3gj1 s TYR 92 Ca 0.00 -0.82 -0.20 0.00 -0.52 0.00 0.00 57.07 55.53 3gj1 s TYR 92 Cb 0.00 -0.47 -0.05 0.00 0.38 0.00 0.00 41.96 41.82 3gj1 s TYR 92 CO 0.00 -0.16 0.58 0.08 -1.52 0.00 0.00 175.55 174.53 3gj1 s VAL 93 N -3.05 4.92 -0.15 -3.49 1.01 0.92 -0.31 120.40 120.24 3gj1 s VAL 93 Ca 0.05 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.27 3gj1 s VAL 93 Cb 0.01 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3gj1 s VAL 93 CO -0.04 0.42 -0.19 -1.58 0.00 0.00 0.00 175.10 173.71 3gj1 s GLN 94 N -0.19 3.07 -0.04 2.72 0.74 -0.30 -1.98 119.66 123.68 3gj1 s GLN 94 Ca 0.31 -0.82 0.06 0.00 0.05 0.00 0.00 55.36 54.96 3gj1 s GLN 94 Cb -0.18 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.38 3gj1 s GLN 94 CO 0.17 -0.06 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.41 3gj1 s GLU 95 N 0.94 2.35 0.03 1.67 2.02 0.24 -0.50 118.70 125.46 3gj1 s GLU 95 Ca -0.04 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 3gj1 s GLU 95 Cb -0.15 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3gj1 s GLU 95 CO -0.04 0.52 -0.03 1.03 0.02 0.00 0.00 175.26 176.76 3gj1 s ARG 96 N -0.50 0.44 -0.08 1.61 0.52 -0.74 -0.77 118.95 119.43 3gj1 s ARG 96 Ca 0.06 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3gj1 s ARG 96 Cb -0.11 0.14 -0.01 0.00 0.52 0.00 0.00 34.95 35.49 3gj1 s ARG 96 CO 0.01 -0.07 -0.22 0.95 0.02 0.00 0.00 175.30 175.98 3gj1 s THR 97 N -2.47 2.28 -0.14 0.02 -4.23 -0.73 -0.92 115.64 109.46 3gj1 s THR 97 Ca -0.06 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3gj1 s THR 97 Cb -0.03 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.96 3gj1 s THR 97 CO -0.05 0.56 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.79 3gj1 s ILE 98 N 0.07 1.72 -0.29 2.99 1.01 0.25 -0.81 121.20 126.15 3gj1 s ILE 98 Ca -0.10 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3gj1 s ILE 98 Cb -0.15 -1.57 0.07 0.00 0.01 0.00 0.00 42.46 40.81 3gj1 s ILE 98 CO 0.06 0.48 -0.04 -0.44 0.00 0.00 0.00 174.94 175.01 3gj1 s SER 99 N 1.15 4.67 -0.16 3.58 0.01 0.61 -0.96 113.70 122.61 3gj1 s SER 99 Ca -0.01 -1.51 -0.29 0.00 1.31 0.00 0.00 55.95 55.45 3gj1 s SER 99 Cb -0.14 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 3gj1 s SER 99 CO -0.06 -0.26 0.98 -0.36 0.41 0.00 0.00 173.24 173.95 3gj1 s PHE 100 N 1.12 3.44 0.02 2.43 0.08 -0.85 -0.40 117.98 123.82 3gj1 s PHE 100 Ca -0.04 1.49 -0.35 0.00 0.12 0.00 0.00 56.93 58.15 3gj1 s PHE 100 Cb -0.20 -3.18 -0.14 0.00 -0.57 0.00 0.00 43.02 38.94 3gj1 s PHE 100 CO -0.04 -0.31 1.67 0.36 -0.10 0.00 0.00 175.22 176.81 3gj1 n LYS 101 N 5.45 1.95 -1.84 0.44 2.85 -0.24 -1.20 118.16 125.57 3gj1 n LYS 101 Ca 0.09 0.71 -0.15 0.00 -1.05 0.00 0.00 58.31 57.91 3gj1 n LYS 101 Cb 0.48 -2.48 -0.04 0.00 -0.65 0.00 0.00 35.03 32.34 3gj1 n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3gj1 n ASP 102 N 4.66 -4.62 -0.19 -5.58 8.00 -1.26 -4.86 116.55 112.70 3gj1 n ASP 102 Ca 0.20 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.88 3gj1 n ASP 102 Cb 0.26 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 3gj1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gj1 n ASP 103 N -0.58 0.00 -2.65 -2.24 -0.08 -0.34 -4.95 116.55 105.70 3gj1 n ASP 103 Ca -0.16 -0.19 -0.05 0.00 -1.51 0.00 0.00 54.79 52.88 3gj1 n ASP 103 Cb 0.56 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.05 3gj1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gj1 n GLY 104 N 0.00 -2.43 3.07 0.27 0.00 -1.11 -4.62 105.19 100.38 3gj1 n GLY 104 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 3gj1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj1 s ASN 105 N -1.96 0.33 0.08 1.61 2.20 -0.86 -2.01 114.94 114.33 3gj1 s ASN 105 Ca 0.11 -0.73 0.04 0.00 -0.94 0.00 0.00 52.86 51.34 3gj1 s ASN 105 Cb -0.01 0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 39.39 3gj1 s ASN 105 CO 0.09 -0.50 0.01 -0.31 -2.94 0.00 0.00 177.10 173.44 3gj1 s TYR 106 N -2.92 3.02 -0.05 1.54 2.02 -0.14 -1.34 117.35 119.48 3gj1 s TYR 106 Ca -0.02 -0.00 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 3gj1 s TYR 106 Cb 0.01 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3gj1 s TYR 106 CO -0.06 0.48 -0.21 0.15 -1.57 0.00 0.00 175.55 174.34 3gj1 s LYS 107 N -2.26 2.13 0.04 -0.62 3.01 0.99 -0.58 119.74 122.45 3gj1 s LYS 107 Ca 0.26 -0.76 0.03 0.00 -1.01 0.00 0.00 55.97 54.49 3gj1 s LYS 107 Cb -0.12 -1.84 -0.02 0.00 -1.01 0.00 0.00 37.83 34.84 3gj1 s LYS 107 CO 0.18 0.32 -0.09 0.95 0.51 0.00 0.00 175.35 177.23 3gj1 s THR 108 N -0.10 0.66 -0.02 2.17 -4.23 -0.10 -0.88 115.64 113.15 3gj1 s THR 108 Ca -0.03 -1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3gj1 s THR 108 Cb -0.12 -0.69 0.03 0.00 1.34 0.00 0.00 72.50 73.05 3gj1 s THR 108 CO 0.03 -0.31 0.03 -0.60 -0.54 0.00 0.00 174.62 173.22 3gj1 s ARG 109 N -1.51 -0.00 0.07 3.99 3.52 -0.62 -1.78 118.95 122.61 3gj1 s ARG 109 Ca -0.07 0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 3gj1 s ARG 109 Cb -0.09 -0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 32.96 3gj1 s ARG 109 CO 0.01 -0.18 -0.11 0.00 -0.81 0.00 0.00 175.30 174.20 3gj1 s ALA 110 N 1.17 0.96 -0.15 6.12 0.00 0.34 -0.58 121.76 129.62 3gj1 s ALA 110 Ca -0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3gj1 s ALA 110 Cb -0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3gj1 s ALA 110 CO -0.03 0.07 -0.08 -1.21 0.00 0.00 0.00 175.76 174.51 3gj1 s GLU 111 N -1.87 3.53 -0.21 0.00 2.02 -0.34 -1.15 118.70 120.68 3gj1 s GLU 111 Ca -0.03 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 3gj1 s GLU 111 Cb -0.09 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3gj1 s GLU 111 CO 0.01 0.22 -0.10 0.08 0.02 0.00 0.00 175.26 175.49 3gj1 s VAL 112 N 0.39 2.93 0.05 2.63 1.01 0.57 -1.70 120.40 126.28 3gj1 s VAL 112 Ca -0.07 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 3gj1 s VAL 112 Cb -0.15 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.01 3gj1 s VAL 112 CO 0.04 0.46 0.76 -1.59 0.00 0.00 0.00 175.10 174.77 3gj1 s LYS 113 N 1.41 1.01 0.13 2.72 -2.85 -0.74 -0.98 119.74 120.45 3gj1 s LYS 113 Ca 0.05 -0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 3gj1 s LYS 113 Cb -0.14 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.03 3gj1 s LYS 113 CO -0.06 -0.43 1.21 -0.06 0.10 0.00 0.00 175.35 176.11 3gj1 s PHE 114 N -3.07 3.43 -0.29 1.78 0.40 -0.91 -0.12 117.98 119.18 3gj1 s PHE 114 Ca 0.02 1.35 0.03 0.00 -0.60 0.00 0.00 56.93 57.72 3gj1 s PHE 114 Cb -0.01 -3.44 0.07 0.00 0.51 0.00 0.00 43.02 40.16 3gj1 s PHE 114 CO -0.08 -1.29 -0.04 -1.21 0.70 0.00 0.00 175.22 173.30 3gj1 s GLU 115 N 0.32 1.99 6.32 0.44 2.02 0.47 -4.92 118.70 125.34 3gj1 s GLU 115 Ca 0.56 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 54.01 3gj1 s GLU 115 Cb -0.32 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.87 3gj1 s GLU 115 CO 0.33 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 175.31 3gj1 n GLY 116 N 4.39 3.34 0.41 -1.39 0.00 -1.26 -1.90 105.19 108.78 3gj1 n GLY 116 Ca -0.07 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3gj1 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gj1 n ASP 117 N 3.85 1.21 -4.48 1.61 5.68 -1.26 -4.87 116.55 118.28 3gj1 n ASP 117 Ca 0.00 -1.75 -0.33 0.00 -0.50 0.00 0.00 54.79 52.21 3gj1 n ASP 117 Cb 0.00 -0.10 -0.13 0.00 -1.14 0.00 0.00 41.12 39.75 3gj1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gj1 s THR 118 N -1.79 3.15 -0.24 2.12 2.01 -0.80 -4.33 115.64 115.76 3gj1 s THR 118 Ca 0.26 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 3gj1 s THR 118 Cb 0.13 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3gj1 s THR 118 CO 0.20 0.58 0.54 -0.22 -0.69 0.00 0.00 174.62 175.03 3gj1 s LEU 119 N -0.60 4.08 -0.06 4.42 1.98 -0.15 -0.40 118.68 127.96 3gj1 s LEU 119 Ca 0.09 0.61 0.06 0.00 -2.89 0.00 0.00 54.13 51.99 3gj1 s LEU 119 Cb -0.11 -2.72 -0.01 0.00 0.66 0.00 0.00 46.19 44.01 3gj1 s LEU 119 CO 0.01 -0.27 -0.23 -0.69 -1.89 0.00 0.00 176.35 173.27 3gj1 s VAL 120 N 2.15 2.20 -0.34 1.68 1.01 0.82 -1.71 120.40 126.22 3gj1 s VAL 120 Ca 0.23 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3gj1 s VAL 120 Cb -0.16 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.50 3gj1 s VAL 120 CO 0.09 0.57 0.06 0.21 0.00 0.00 0.00 175.10 176.03 3gj1 s ASN 121 N -0.20 4.88 -0.18 3.32 2.47 0.37 -1.79 114.94 123.81 3gj1 s ASN 121 Ca -0.02 -1.85 -0.07 0.00 0.42 0.00 0.00 52.86 51.34 3gj1 s ASN 121 Cb -0.13 -1.69 -0.04 0.00 -1.45 0.00 0.00 41.25 37.94 3gj1 s ASN 121 CO 0.03 -0.38 0.04 -0.13 -3.72 0.00 0.00 177.10 172.95 3gj1 s ARG 122 N 1.06 3.90 0.01 0.43 0.52 -0.69 -1.54 118.95 122.64 3gj1 s ARG 122 Ca 0.04 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3gj1 s ARG 122 Cb -0.20 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 3gj1 s ARG 122 CO -0.05 0.26 -0.14 0.42 0.02 0.00 0.00 175.30 175.81 3gj1 s ILE 123 N 0.38 1.09 -0.11 1.52 1.01 0.19 -1.20 121.20 124.09 3gj1 s ILE 123 Ca 0.01 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3gj1 s ILE 123 Cb -0.13 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3gj1 s ILE 123 CO 0.01 0.17 -0.15 -0.70 0.00 0.00 0.00 174.94 174.27 3gj1 s GLU 124 N -0.68 3.15 -0.04 2.79 2.56 0.25 -1.47 118.70 125.25 3gj1 s GLU 124 Ca 0.04 -0.72 0.04 0.00 0.00 0.00 0.00 54.97 54.33 3gj1 s GLU 124 Cb -0.06 -2.53 -0.00 0.00 2.00 0.00 0.00 34.13 33.54 3gj1 s GLU 124 CO 0.00 0.30 -0.17 -1.17 -0.56 0.00 0.00 175.26 173.66 3gj1 s LEU 125 N 0.12 1.90 -0.11 2.70 0.20 0.41 -1.59 118.68 122.31 3gj1 s LEU 125 Ca -0.07 -0.35 -0.00 0.00 0.69 0.00 0.00 54.13 54.40 3gj1 s LEU 125 Cb -0.15 -0.95 0.02 0.00 -0.43 0.00 0.00 46.19 44.68 3gj1 s LEU 125 CO 0.05 0.15 -0.07 -1.59 -0.29 0.00 0.00 176.35 174.60 3gj1 s LYS 126 N 0.07 1.44 -0.06 1.98 0.00 -0.05 -1.39 119.74 121.72 3gj1 s LYS 126 Ca -0.04 -0.22 0.04 0.00 0.00 0.00 0.00 55.97 55.75 3gj1 s LYS 126 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 37.83 36.17 3gj1 s LYS 126 CO 0.02 -0.27 -0.18 0.20 0.00 0.00 0.00 175.35 175.13 3gj1 s GLY 127 N 1.72 1.45 0.07 0.59 0.00 0.78 -0.01 107.32 111.92 3gj1 s GLY 127 Ca 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 3gj1 s GLY 127 CO -0.08 -0.68 0.01 -0.26 0.00 0.00 0.00 173.10 172.08 3gj1 s ILE 128 N -0.45 0.19 -1.41 0.90 -4.36 -0.45 -1.56 121.20 114.06 3gj1 s ILE 128 Ca 0.05 -1.78 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 3gj1 s ILE 128 Cb -0.12 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3gj1 s ILE 128 CO 0.02 -0.87 0.07 0.47 0.24 0.00 0.00 174.94 174.86 3gj1 n ASP 129 N 0.06 -5.01 -4.84 4.36 8.00 -1.26 -2.02 116.55 115.83 3gj1 n ASP 129 Ca -0.12 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 54.99 3gj1 n ASP 129 Cb 0.62 -4.07 -0.06 0.00 -0.02 0.00 0.00 41.12 37.58 3gj1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gj1 s PHE 130 N -2.87 3.44 -0.54 1.24 0.40 -1.26 -2.75 117.98 115.65 3gj1 s PHE 130 Ca 0.03 1.26 -0.28 0.00 -0.60 0.00 0.00 56.93 57.34 3gj1 s PHE 130 Cb -0.02 -2.56 0.03 0.00 0.51 0.00 0.00 43.02 40.98 3gj1 s PHE 130 CO 0.04 0.16 1.22 0.15 0.70 0.00 0.00 175.22 177.49 3gj1 s LYS 131 N -2.72 3.55 0.63 0.44 1.02 -1.26 -4.90 119.74 116.50 3gj1 s LYS 131 Ca 0.51 0.42 0.14 0.00 0.02 0.00 0.00 55.97 57.07 3gj1 s LYS 131 Cb -0.12 -4.00 0.78 0.00 -0.52 0.00 0.00 37.83 33.98 3gj1 s LYS 131 CO 0.18 -1.62 1.42 1.05 -0.92 0.00 0.00 175.35 175.47 3gj1 h GLU 132 N 9.74 0.00 0.00 1.68 -0.00 -1.96 1.16 114.58 125.20 3gj1 h GLU 132 Ca -0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.10 3gj1 h GLU 132 Cb 1.07 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.80 3gj1 h GLU 132 CO 1.16 0.00 -0.33 -0.40 -0.00 0.00 0.00 179.01 179.45 3gj1 n ASP 133 N -2.61 1.02 -2.11 3.06 5.68 -1.26 -4.15 116.55 116.18 3gj1 n ASP 133 Ca -0.01 -2.49 -0.01 0.00 -0.50 0.00 0.00 54.79 51.78 3gj1 n ASP 133 Cb 0.67 -0.30 0.01 0.00 -1.14 0.00 0.00 41.12 40.35 3gj1 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gj1 n GLY 134 N -0.58 -0.28 0.29 6.12 0.00 0.40 -4.65 105.19 106.49 3gj1 n GLY 134 Ca 0.07 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.36 3gj1 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gj1 h ASN 135 N -0.06 0.20 0.00 1.61 2.35 -1.94 0.61 115.58 118.35 3gj1 h ASN 135 Ca -0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3gj1 h ASN 135 Cb 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3gj1 h ASN 135 CO 0.02 0.14 0.00 -0.38 -1.65 0.00 0.00 177.43 175.56 3gj1 n ILE 136 N -4.50 0.00 0.30 2.81 -0.00 -1.26 -1.41 119.36 115.29 3gj1 n ILE 136 Ca 0.01 0.49 0.18 0.00 -0.00 0.00 0.00 62.75 63.43 3gj1 n ILE 136 Cb 0.13 -1.48 0.93 0.00 -0.00 0.00 0.00 39.64 39.22 3gj1 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3gj1 h LEU 137 N 0.00 0.00 -0.98 1.39 3.38 -1.75 -1.76 115.31 115.60 3gj1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj1 h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gj1 h LEU 137 CO 0.00 0.04 -0.13 0.61 0.09 0.00 0.00 178.44 179.05 3gj1 n GLY 138 N -0.74 -0.02 3.47 0.83 0.00 0.21 -4.82 105.19 104.12 3gj1 n GLY 138 Ca -0.02 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 3gj1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gj1 n HIS 139 N 0.09 -2.17 0.33 1.61 8.25 -0.66 -4.93 115.22 117.74 3gj1 n HIS 139 Ca 0.15 0.85 0.11 0.00 -0.26 0.00 0.00 57.72 58.57 3gj1 n HIS 139 Cb 0.40 -4.49 0.20 0.00 1.12 0.00 0.00 29.99 27.22 3gj1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gj1 n LYS 140 N -3.91 2.45 -2.69 -0.41 5.02 -0.50 -4.94 118.16 113.18 3gj1 n LYS 140 Ca -0.21 -2.24 -0.41 0.00 -2.02 0.00 0.00 58.31 53.43 3gj1 n LYS 140 Cb 0.65 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 3gj1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gj1 s LEU 141 N -1.48 4.50 0.69 -0.35 1.43 -1.25 0.28 118.68 122.51 3gj1 s LEU 141 Ca 0.37 1.85 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 3gj1 s LEU 141 Cb 0.22 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.86 3gj1 s LEU 141 CO 0.31 -0.08 1.12 -1.61 0.23 0.00 0.00 176.35 176.31 3gj1 s GLU 142 N -0.11 2.61 -1.21 1.70 2.02 -0.42 -4.78 118.70 118.51 3gj1 s GLU 142 Ca 0.47 1.41 -0.13 0.00 0.02 0.00 0.00 54.97 56.74 3gj1 s GLU 142 Cb -0.24 -1.92 0.18 0.00 0.10 0.00 0.00 34.13 32.25 3gj1 s GLU 142 CO 0.31 -1.40 1.43 0.98 0.02 0.00 0.00 175.26 176.60 3gj1 n TYR 143 N -2.63 4.86 -3.81 1.61 9.36 -1.26 -4.85 117.16 120.43 3gj1 n TYR 143 Ca 0.11 -3.38 -0.02 0.00 3.32 0.00 0.00 57.90 57.93 3gj1 n TYR 143 Cb 0.52 -2.11 0.00 0.00 -0.63 0.00 0.00 39.34 37.12 3gj1 n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3gj1 s ASN 144 N 2.48 -0.05 0.05 2.98 2.20 -1.26 -4.84 114.94 116.50 3gj1 s ASN 144 Ca 0.41 -0.44 -0.15 0.00 -0.94 0.00 0.00 52.86 51.74 3gj1 s ASN 144 Cb -0.03 0.39 0.03 0.00 -2.00 0.00 0.00 41.25 39.64 3gj1 s ASN 144 CO -0.01 -0.75 0.34 -0.47 -2.94 0.00 0.00 177.10 173.28 3gj1 s TYR 145 N -2.49 -0.16 0.42 1.54 5.04 -1.26 -4.87 117.35 115.57 3gj1 s TYR 145 Ca 0.19 0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.90 3gj1 s TYR 145 Cb -0.01 0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 3gj1 s TYR 145 CO 0.02 -0.54 0.05 -0.80 -1.34 0.00 0.00 175.55 172.94 3gj1 s ASN 146 N -2.11 3.30 0.38 4.32 0.01 -1.26 -4.83 114.94 114.74 3gj1 s ASN 146 Ca -0.04 -1.53 -0.24 0.00 -0.71 0.00 0.00 52.86 50.34 3gj1 s ASN 146 Cb -0.01 0.17 -0.10 0.00 0.41 0.00 0.00 41.25 41.72 3gj1 s ASN 146 CO -0.04 -0.73 0.97 -0.94 -1.51 0.00 0.00 177.10 174.86 3gj1 s SER 147 N -3.68 7.05 -0.03 -1.22 1.04 -1.26 -4.45 113.70 111.16 3gj1 s SER 147 Ca 0.24 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.40 3gj1 s SER 147 Cb 0.05 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3gj1 s SER 147 CO 0.12 -0.28 0.24 -1.00 0.98 0.00 0.00 173.24 173.30 3gj1 s HIS 148 N -1.82 -0.12 -0.14 5.02 3.76 -0.64 -4.97 115.29 116.38 3gj1 s HIS 148 Ca 0.56 0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 55.64 3gj1 s HIS 148 Cb -0.16 0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 3gj1 s HIS 148 CO 0.21 -0.30 0.05 -0.80 -0.85 0.00 0.00 174.74 173.05 3gj1 s ASN 149 N -1.03 5.61 -0.35 1.40 0.02 -1.26 -0.75 114.94 118.58 3gj1 s ASN 149 Ca -0.11 0.17 0.02 0.00 -1.02 0.00 0.00 52.86 51.92 3gj1 s ASN 149 Cb -0.05 -1.81 0.10 0.00 0.02 0.00 0.00 41.25 39.50 3gj1 s ASN 149 CO 0.02 0.29 0.08 -0.69 0.02 0.00 0.00 177.10 176.82 3gj1 s VAL 150 N -0.34 2.59 -0.08 1.60 1.01 0.52 -4.88 120.40 120.82 3gj1 s VAL 150 Ca 0.08 -2.17 -0.30 0.00 0.00 0.00 0.00 61.98 59.60 3gj1 s VAL 150 Cb -0.12 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3gj1 s VAL 150 CO 0.02 -0.56 1.14 -0.31 0.00 0.00 0.00 175.10 175.39 3gj1 s TYR 151 N 1.00 3.28 -0.12 5.22 2.02 -1.26 -1.32 117.35 126.17 3gj1 s TYR 151 Ca 0.08 1.33 -0.04 0.00 -0.37 0.00 0.00 57.07 58.07 3gj1 s TYR 151 Cb -0.20 -3.35 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 3gj1 s TYR 151 CO -0.06 -0.99 0.03 0.42 -1.57 0.00 0.00 175.55 173.38 3gj1 s ILE 152 N 2.22 4.54 0.07 2.71 -1.09 0.89 -4.02 121.20 126.51 3gj1 s ILE 152 Ca 0.53 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 3gj1 s ILE 152 Cb -0.22 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 3gj1 s ILE 152 CO 0.20 0.56 -0.12 0.42 -1.23 0.00 0.00 174.94 174.77 3gj1 s THR 153 N -0.47 0.96 0.53 2.92 -4.23 -0.70 -2.77 115.64 111.88 3gj1 s THR 153 Ca 0.09 -1.32 -0.21 0.00 -1.18 0.00 0.00 61.69 59.07 3gj1 s THR 153 Cb -0.12 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 3gj1 s THR 153 CO 0.02 -0.32 1.21 0.00 -0.54 0.00 0.00 174.62 174.99 3gj1 s ALA 154 N -1.52 2.77 -0.60 3.99 0.00 -1.25 -1.49 121.76 123.66 3gj1 s ALA 154 Ca -0.02 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.00 3gj1 s ALA 154 Cb -0.09 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.76 3gj1 s ALA 154 CO 0.02 -0.97 0.42 0.34 0.00 0.00 0.00 175.76 175.56 3gj1 s ASP 155 N -1.41 3.92 0.28 0.00 -1.08 -0.19 -4.73 116.67 113.45 3gj1 s ASP 155 Ca 0.71 -3.50 0.01 0.00 -0.52 0.00 0.00 52.55 49.25 3gj1 s ASP 155 Cb -0.31 -1.31 0.56 0.00 -1.46 0.00 0.00 42.92 40.40 3gj1 s ASP 155 CO 0.35 -0.13 1.81 0.11 0.52 0.00 0.00 175.17 177.83 3gj1 h LYS 156 N 5.66 0.83 -0.41 4.34 6.56 -1.95 -1.26 116.57 130.35 3gj1 h LYS 156 Ca 0.14 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.64 3gj1 h LYS 156 Cb 0.82 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 3gj1 h LYS 156 CO 0.62 0.55 0.09 1.96 -2.06 0.00 0.00 179.45 180.61 3gj1 h GLN 157 N 0.86 0.60 -0.02 3.15 7.50 -1.95 -2.61 115.11 122.64 3gj1 h GLN 157 Ca 0.49 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.54 3gj1 h GLN 157 Cb 0.57 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.00 3gj1 h GLN 157 CO -0.30 0.56 -0.14 0.36 -1.50 0.00 0.00 178.83 177.80 3gj1 n LYS 158 N -4.32 1.66 -3.70 1.46 2.85 -0.58 -4.92 118.16 110.61 3gj1 n LYS 158 Ca 0.03 -1.23 -0.26 0.00 -1.05 0.00 0.00 58.31 55.80 3gj1 n LYS 158 Cb 0.20 -1.47 0.06 0.00 -0.65 0.00 0.00 35.03 33.17 3gj1 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3gj1 n ASN 159 N 0.41 -5.69 0.00 -5.58 5.15 -0.66 -4.53 115.26 104.36 3gj1 n ASN 159 Ca 0.14 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 3gj1 n ASN 159 Cb 0.46 -4.66 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 3gj1 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gj1 n GLY 160 N -1.88 5.39 3.23 8.20 0.00 -0.60 -4.33 105.19 115.20 3gj1 n GLY 160 Ca 0.01 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 3gj1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gj1 s ILE 161 N 0.27 0.37 0.06 -0.61 -5.25 -0.45 -1.02 121.20 114.57 3gj1 s ILE 161 Ca 0.00 -1.98 -0.02 0.00 -0.99 0.00 0.00 60.65 57.66 3gj1 s ILE 161 Cb 0.00 -2.34 -0.03 0.00 2.95 0.00 0.00 42.46 43.03 3gj1 s ILE 161 CO 0.00 -0.23 0.01 -1.59 -1.79 0.00 0.00 174.94 171.34 3gj1 s LYS 162 N -4.03 0.67 -0.07 0.37 0.00 -0.56 -0.43 119.74 115.69 3gj1 s LYS 162 Ca 0.31 -1.21 -0.26 0.00 0.00 0.00 0.00 55.97 54.82 3gj1 s LYS 162 Cb 0.07 0.23 0.06 0.00 0.00 0.00 0.00 37.83 38.19 3gj1 s LYS 162 CO 0.08 -0.15 0.59 0.00 0.00 0.00 0.00 175.35 175.88 3gj1 s ALA 163 N -3.92 -1.52 -0.08 0.59 0.00 -0.76 -1.72 121.76 114.35 3gj1 s ALA 163 Ca 0.08 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 3gj1 s ALA 163 Cb 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3gj1 s ALA 163 CO -0.09 -0.33 0.19 0.54 0.00 0.00 0.00 175.76 176.07 3gj1 s ASN 164 N -0.98 -0.19 0.12 0.00 4.22 -1.26 0.27 114.94 117.12 3gj1 s ASN 164 Ca -0.10 0.40 -0.20 0.00 -2.14 0.00 0.00 52.86 50.82 3gj1 s ASN 164 Cb -0.02 0.32 0.05 0.00 1.28 0.00 0.00 41.25 42.89 3gj1 s ASN 164 CO 0.07 -0.13 0.51 0.72 -2.04 0.00 0.00 177.10 176.23 3gj1 s PHE 165 N 0.88 -0.39 -0.19 1.54 -0.12 -0.65 -4.63 117.98 114.41 3gj1 s PHE 165 Ca -0.06 0.21 -0.05 0.00 -0.05 0.00 0.00 56.93 56.98 3gj1 s PHE 165 Cb -0.08 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 3gj1 s PHE 165 CO -0.05 -0.74 -0.01 0.15 -0.05 0.00 0.00 175.22 174.51 3gj1 s LYS 166 N -3.44 3.61 -0.06 1.99 3.01 -1.26 0.13 119.74 123.71 3gj1 s LYS 166 Ca 0.00 -0.53 -0.19 0.00 -1.01 0.00 0.00 55.97 54.24 3gj1 s LYS 166 Cb 0.00 -3.03 -0.05 0.00 -1.01 0.00 0.00 37.83 33.74 3gj1 s LYS 166 CO -0.10 0.05 0.53 0.42 0.51 0.00 0.00 175.35 176.76 3gj1 s ILE 167 N 0.90 5.07 -0.47 2.17 -1.09 0.35 -4.88 121.20 123.24 3gj1 s ILE 167 Ca 0.01 1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 59.31 3gj1 s ILE 167 Cb -0.14 -3.87 0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3gj1 s ILE 167 CO 0.02 0.37 0.66 -0.13 -1.23 0.00 0.00 174.94 174.63 3gj1 s ARG 168 N 0.21 3.22 -0.31 2.79 0.52 -1.26 -0.24 118.95 123.87 3gj1 s ARG 168 Ca 0.28 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.83 3gj1 s ARG 168 Cb -0.17 -4.01 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 3gj1 s ARG 168 CO 0.14 -1.12 0.21 -1.01 0.02 0.00 0.00 175.30 173.53 3gj1 s HIS 169 N 2.84 3.21 0.23 -0.53 3.76 -0.43 -4.57 115.29 119.80 3gj1 s HIS 169 Ca 0.20 -0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.64 3gj1 s HIS 169 Cb -0.16 -2.42 -0.09 0.00 1.11 0.00 0.00 32.58 31.02 3gj1 s HIS 169 CO 0.16 -0.31 1.31 -0.80 -0.85 0.00 0.00 174.74 174.26 3gj1 s ASN 170 N 1.71 6.87 0.09 1.40 0.01 -1.26 0.46 114.94 124.23 3gj1 s ASN 170 Ca 0.06 2.47 0.03 0.00 -0.71 0.00 0.00 52.86 54.71 3gj1 s ASN 170 Cb -0.17 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 3gj1 s ASN 170 CO 0.10 -0.53 0.11 -0.63 -1.51 0.00 0.00 177.10 174.64 3gj1 s ILE 171 N -0.15 4.65 0.58 0.60 1.09 -0.42 -1.30 121.20 126.26 3gj1 s ILE 171 Ca 0.55 -0.76 0.30 0.00 -1.10 0.00 0.00 60.65 59.64 3gj1 s ILE 171 Cb -0.37 -3.27 0.42 0.00 -1.06 0.00 0.00 42.46 38.18 3gj1 s ILE 171 CO 0.41 0.09 1.78 -0.33 -0.10 0.00 0.00 174.94 176.79 3gj1 h GLU 172 N 3.11 0.00 0.00 2.79 3.07 -0.48 -0.85 114.58 122.23 3gj1 h GLU 172 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3gj1 h GLU 172 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3gj1 h GLU 172 CO 0.67 0.00 -0.57 0.38 -1.40 0.00 0.00 179.01 178.09 3gj1 h ASP 173 N 0.00 0.00 0.00 1.42 3.04 -1.96 -3.48 116.42 115.44 3gj1 h ASP 173 Ca 0.33 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 3gj1 h ASP 173 Cb 1.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.97 3gj1 h ASP 173 CO -0.00 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 3gj1 n GLY 174 N 1.22 1.26 1.83 7.15 0.00 -0.32 -5.12 105.19 111.21 3gj1 n GLY 174 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3gj1 n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gj1 n SER 175 N 0.00 0.40 -4.05 1.61 3.41 -1.26 -4.89 113.62 108.85 3gj1 n SER 175 Ca 0.00 -1.41 -0.22 0.00 -0.26 0.00 0.00 58.87 56.97 3gj1 n SER 175 Cb 0.00 -0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 3gj1 n SER 175 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gj1 s VAL 176 N -1.75 1.01 -0.28 -3.33 1.01 -1.26 -1.29 120.40 114.50 3gj1 s VAL 176 Ca 0.33 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3gj1 s VAL 176 Cb -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 3gj1 s VAL 176 CO 0.22 0.30 0.07 -1.58 0.00 0.00 0.00 175.10 174.12 3gj1 s GLN 177 N 0.15 3.27 0.08 2.72 2.00 0.17 -4.94 119.66 123.11 3gj1 s GLN 177 Ca -0.04 -0.74 -0.24 0.00 -2.00 0.00 0.00 55.36 52.35 3gj1 s GLN 177 Cb -0.10 -3.34 -0.06 0.00 0.80 0.00 0.00 33.01 30.31 3gj1 s GLN 177 CO 0.01 -0.36 0.72 -0.51 -0.50 0.00 0.00 175.29 174.65 3gj1 s LEU 178 N 1.53 4.50 -0.27 3.68 1.43 -1.26 -1.31 118.68 126.97 3gj1 s LEU 178 Ca 0.04 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 3gj1 s LEU 178 Cb -0.16 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 42.96 3gj1 s LEU 178 CO 0.02 0.12 -0.09 0.00 0.23 0.00 0.00 176.35 176.63 3gj1 s ALA 179 N -0.52 2.62 -0.37 4.21 0.00 0.67 -1.08 121.76 127.29 3gj1 s ALA 179 Ca 0.35 -1.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.30 3gj1 s ALA 179 Cb -0.21 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.26 3gj1 s ALA 179 CO 0.23 -1.24 0.62 0.34 0.00 0.00 0.00 175.76 175.71 3gj1 s ASP 180 N 1.11 6.39 -0.20 0.00 2.15 0.47 -0.50 116.67 126.09 3gj1 s ASP 180 Ca -0.07 0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.84 3gj1 s ASP 180 Cb -0.20 -2.32 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 3gj1 s ASP 180 CO -0.05 -0.62 0.12 -1.00 -0.17 0.00 0.00 175.17 173.46 3gj1 s HIS 181 N 2.69 3.39 -0.17 -5.34 3.76 0.12 -0.28 115.29 119.46 3gj1 s HIS 181 Ca 0.23 0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 55.43 3gj1 s HIS 181 Cb -0.14 -2.14 -0.00 0.00 1.11 0.00 0.00 32.58 31.40 3gj1 s HIS 181 CO 0.15 0.28 -0.13 0.71 -0.85 0.00 0.00 174.74 174.90 3gj1 s TYR 182 N 0.34 2.82 -0.04 1.40 1.51 0.01 -1.64 117.35 121.75 3gj1 s TYR 182 Ca 0.07 -1.03 0.06 0.00 -1.01 0.00 0.00 57.07 55.16 3gj1 s TYR 182 Cb -0.11 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 3gj1 s TYR 182 CO -0.02 -0.49 -0.22 -1.14 -1.11 0.00 0.00 175.55 172.57 3gj1 s GLN 183 N 0.93 2.19 0.01 -0.62 0.74 0.14 -1.77 119.66 121.28 3gj1 s GLN 183 Ca -0.03 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.61 3gj1 s GLN 183 Cb -0.15 -1.92 -0.01 0.00 1.10 0.00 0.00 33.01 32.03 3gj1 s GLN 183 CO -0.01 0.37 -0.10 1.14 -0.55 0.00 0.00 175.29 176.14 3gj1 s GLN 184 N -0.19 0.76 -0.05 1.67 -2.07 0.05 -1.83 119.66 118.00 3gj1 s GLN 184 Ca -0.01 -0.45 0.06 0.00 -1.82 0.00 0.00 55.36 53.15 3gj1 s GLN 184 Cb -0.12 -0.72 -0.01 0.00 -1.09 0.00 0.00 33.01 31.07 3gj1 s GLN 184 CO 0.02 0.19 -0.25 -0.80 -1.32 0.00 0.00 175.29 173.13 3gj1 s ASN 185 N -0.51 3.01 -0.04 12.60 -0.87 0.43 -0.59 114.94 128.97 3gj1 s ASN 185 Ca 0.02 -0.49 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 3gj1 s ASN 185 Cb -0.05 -0.70 0.02 0.00 -0.02 0.00 0.00 41.25 40.50 3gj1 s ASN 185 CO 0.00 0.26 -0.05 -0.89 -2.57 0.00 0.00 177.10 173.85 3gj1 s THR 186 N -0.27 0.55 0.37 1.60 2.01 -0.84 -1.34 115.64 117.73 3gj1 s THR 186 Ca -0.00 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.57 3gj1 s THR 186 Cb -0.13 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.73 3gj1 s THR 186 CO 0.02 0.22 1.29 -2.16 -0.69 0.00 0.00 174.62 173.30 3gj1 s PRO 187 N 0.76 4.13 0.05 4.92 0.04 -1.26 -0.06 135.00 143.58 3gj1 s PRO 187 Ca -0.10 2.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 3gj1 s PRO 187 Cb -0.13 -2.88 -0.32 0.00 0.04 0.00 0.00 34.50 31.21 3gj1 s PRO 187 CO 0.00 -0.35 1.06 0.82 0.04 0.00 0.00 177.00 178.57 3gj1 h ILE 188 N 2.68 1.33 -4.14 0.56 2.04 -1.28 -3.45 117.51 115.25 3gj1 h ILE 188 Ca -0.49 -2.72 -0.48 0.00 1.00 0.00 0.00 64.86 62.17 3gj1 h ILE 188 Cb 1.24 2.94 0.13 0.00 -0.74 0.00 0.00 36.82 40.39 3gj1 h ILE 188 CO 0.64 0.81 0.28 -0.83 0.00 0.00 0.00 178.15 179.05 3gj1 s GLY 189 N -4.57 1.60 0.00 5.37 0.00 -1.26 -4.98 107.32 103.48 3gj1 s GLY 189 Ca -0.08 -0.23 0.24 0.00 0.00 0.00 0.00 44.72 44.64 3gj1 s GLY 189 CO 0.93 0.26 1.22 1.22 0.00 0.00 0.00 173.10 176.74 3gj1 n ASP 190 N -3.76 1.15 -4.03 1.64 8.00 -1.26 -5.00 116.55 113.29 3gj1 n ASP 190 Ca 0.07 -0.93 -0.30 0.00 0.71 0.00 0.00 54.79 54.34 3gj1 n ASP 190 Cb 0.57 0.49 0.20 0.00 -0.02 0.00 0.00 41.12 42.36 3gj1 n ASP 190 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gj1 s GLY 191 N -2.75 1.80 0.35 0.44 0.00 -1.26 -4.99 107.32 100.91 3gj1 s GLY 191 Ca 0.15 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.33 3gj1 s GLY 191 CO 0.67 -0.45 1.29 -1.05 0.00 0.00 0.00 173.10 173.56 3gj1 n PRO 192 N -3.85 2.13 -4.35 2.90 -0.02 -1.26 -5.04 135.00 125.51 3gj1 n PRO 192 Ca 0.16 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 62.21 3gj1 n PRO 192 Cb 0.59 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 3gj1 n PRO 192 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gj1 s VAL 193 N -1.10 1.04 -0.23 -1.45 -7.23 -1.26 -4.86 120.40 105.31 3gj1 s VAL 193 Ca 0.56 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 3gj1 s VAL 193 Cb -0.56 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 3gj1 s VAL 193 CO 0.62 -0.23 0.39 -0.76 -0.31 0.00 0.00 175.10 174.81 3gj1 s LEU 194 N -3.35 4.11 -0.26 1.32 1.43 -1.26 -5.07 118.68 115.60 3gj1 s LEU 194 Ca 0.31 0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.75 3gj1 s LEU 194 Cb 0.06 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3gj1 s LEU 194 CO 0.11 -0.12 0.13 -0.76 0.23 0.00 0.00 176.35 175.93 3gj1 s LEU 195 N 1.61 3.73 0.42 1.79 1.43 -1.26 -3.94 118.68 122.46 3gj1 s LEU 195 Ca 0.18 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3gj1 s LEU 195 Cb -0.15 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3gj1 s LEU 195 CO 0.08 -0.03 0.80 -2.16 0.23 0.00 0.00 176.35 175.27 3gj1 s PRO 196 N 1.63 3.81 0.57 1.29 0.04 -1.26 -4.90 135.00 136.18 3gj1 s PRO 196 Ca 0.07 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.48 3gj1 s PRO 196 Cb -0.15 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3gj1 s PRO 196 CO 0.07 -0.06 1.08 -0.51 0.04 0.00 0.00 177.00 177.62 3gj1 s ASP 197 N -3.11 5.76 0.04 6.66 1.01 -1.26 -3.85 116.67 121.91 3gj1 s ASP 197 Ca 0.52 1.96 -0.38 0.00 0.71 0.00 0.00 52.55 55.37 3gj1 s ASP 197 Cb -0.10 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 41.08 3gj1 s ASP 197 CO 0.31 -1.19 1.00 0.59 0.21 0.00 0.00 175.17 176.09 3gj1 n ASN 198 N -1.71 -0.11 -3.15 0.27 4.13 -1.26 -4.89 115.26 108.53 3gj1 n ASN 198 Ca 0.10 1.15 -0.05 0.00 1.68 0.00 0.00 54.58 57.46 3gj1 n ASN 198 Cb 0.52 -0.94 0.02 0.00 -1.54 0.00 0.00 39.78 37.85 3gj1 n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3gj1 s HIS 199 N -0.14 0.12 0.15 3.10 -3.43 -1.12 -4.76 115.29 109.20 3gj1 s HIS 199 Ca 0.86 -0.63 0.01 0.00 -0.80 0.00 0.00 55.06 54.50 3gj1 s HIS 199 Cb -1.20 0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 3gj1 s HIS 199 CO 0.56 -1.17 0.01 1.52 -2.00 0.00 0.00 174.74 173.66 3gj1 s TYR 200 N -2.07 1.04 -0.19 0.38 -0.85 -0.88 -0.07 117.35 114.71 3gj1 s TYR 200 Ca 0.21 -1.08 -0.03 0.00 -0.52 0.00 0.00 57.07 55.64 3gj1 s TYR 200 Cb -0.04 -0.59 -0.02 0.00 0.38 0.00 0.00 41.96 41.69 3gj1 s TYR 200 CO 0.08 -0.31 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.23 3gj1 s LEU 201 N -3.11 2.97 -0.44 -3.49 1.43 -0.43 -1.18 118.68 114.43 3gj1 s LEU 201 Ca 0.22 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 52.76 3gj1 s LEU 201 Cb 0.07 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3gj1 s LEU 201 CO 0.02 0.07 0.93 -0.55 0.23 0.00 0.00 176.35 177.05 3gj1 s SER 202 N 0.95 6.55 -0.07 2.29 0.15 0.17 -0.35 113.70 123.39 3gj1 s SER 202 Ca -0.00 0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 3gj1 s SER 202 Cb -0.15 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3gj1 s SER 202 CO 0.01 -1.01 0.13 -1.00 1.20 0.00 0.00 173.24 172.57 3gj1 s HIS 203 N 3.71 3.51 -0.02 3.44 3.76 0.07 -1.94 115.29 127.82 3gj1 s HIS 203 Ca 0.38 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.67 3gj1 s HIS 203 Cb -0.10 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.72 3gj1 s HIS 203 CO 0.25 0.66 0.06 -0.65 -0.85 0.00 0.00 174.74 174.21 3gj1 s GLN 204 N -1.39 0.14 0.03 1.40 -0.21 -0.31 -1.63 119.66 117.69 3gj1 s GLN 204 Ca 0.20 -0.03 -0.07 0.00 0.02 0.00 0.00 55.36 55.48 3gj1 s GLN 204 Cb -0.12 0.06 -0.00 0.00 1.00 0.00 0.00 33.01 33.95 3gj1 s GLN 204 CO 0.10 -0.02 0.14 -1.12 -2.12 0.00 0.00 175.29 172.26 3gj1 s SER 205 N -0.26 0.09 -0.05 5.90 0.01 -1.26 -1.31 113.70 116.83 3gj1 s SER 205 Ca -0.03 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 3gj1 s SER 205 Cb -0.02 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.47 3gj1 s SER 205 CO 0.00 -0.48 0.11 0.00 0.41 0.00 0.00 173.24 173.28 3gj1 s ALA 206 N -2.23 -0.18 -0.11 1.44 0.00 0.11 -4.63 121.76 116.16 3gj1 s ALA 206 Ca -0.08 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 3gj1 s ALA 206 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3gj1 s ALA 206 CO -0.03 -0.12 -0.04 -0.51 0.00 0.00 0.00 175.76 175.07 3gj1 s LEU 207 N 0.85 3.29 0.00 0.00 1.43 -1.26 -1.52 118.68 121.46 3gj1 s LEU 207 Ca -0.07 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3gj1 s LEU 207 Cb -0.09 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3gj1 s LEU 207 CO -0.04 0.27 0.00 -1.54 0.23 0.00 0.00 176.35 175.28 3gj1 n SER 208 N 2.83 0.00 -4.11 2.29 3.41 0.26 -4.87 113.62 113.42 3gj1 n SER 208 Ca -0.18 -0.72 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 3gj1 n SER 208 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3gj1 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gj1 s LYS 209 N -1.17 0.66 -0.44 4.33 -0.14 -1.26 -1.56 119.74 120.17 3gj1 s LYS 209 Ca 0.00 -1.09 -0.19 0.00 -1.36 0.00 0.00 55.97 53.34 3gj1 s LYS 209 Cb 0.00 -0.13 0.03 0.00 -1.68 0.00 0.00 37.83 36.05 3gj1 s LYS 209 CO 0.00 -0.02 0.52 0.34 -0.76 0.00 0.00 175.35 175.43 3gj1 s ASP 210 N -2.47 6.24 0.45 2.83 -1.08 -1.26 -4.93 116.67 116.45 3gj1 s ASP 210 Ca 0.02 -0.62 0.31 0.00 -0.52 0.00 0.00 52.55 51.74 3gj1 s ASP 210 Cb 0.00 -2.26 1.63 0.00 -1.46 0.00 0.00 42.92 40.83 3gj1 s ASP 210 CO -0.04 -0.68 1.93 1.55 0.52 0.00 0.00 175.17 178.45 3gj1 h PRO 211 N 8.81 0.00 -0.01 4.34 0.13 -2.03 -0.76 132.00 142.48 3gj1 h PRO 211 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3gj1 h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gj1 h PRO 211 CO 0.85 0.00 -0.14 0.09 -0.23 0.00 0.00 178.00 178.56 3gj1 n ASN 212 N -2.58 1.46 -4.57 1.44 5.03 -1.26 -4.86 115.26 109.92 3gj1 n ASN 212 Ca -0.02 -1.28 -0.41 0.00 0.87 0.00 0.00 54.58 53.74 3gj1 n ASN 212 Cb 0.06 0.09 -0.07 0.00 -1.02 0.00 0.00 39.78 38.84 3gj1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3gj1 s GLU 213 N -2.25 3.69 0.27 3.52 2.56 -0.29 -4.92 118.70 121.28 3gj1 s GLU 213 Ca 0.30 -0.02 0.24 0.00 0.00 0.00 0.00 54.97 55.48 3gj1 s GLU 213 Cb 0.20 -3.79 0.40 0.00 2.00 0.00 0.00 34.13 32.94 3gj1 s GLU 213 CO 0.43 -0.65 1.49 0.87 -0.56 0.00 0.00 175.26 176.84 3gj1 h LYS 214 N 8.41 0.00 -7.19 4.30 1.57 -1.89 -3.46 116.57 118.32 3gj1 h LYS 214 Ca -0.27 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.03 3gj1 h LYS 214 Cb 1.12 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.46 3gj1 h LYS 214 CO 0.79 0.00 0.38 1.03 -0.57 0.00 0.00 179.45 181.08 3gj1 s ARG 215 N -3.20 3.76 0.10 3.15 0.52 -1.26 -5.01 118.95 117.01 3gj1 s ARG 215 Ca 0.06 1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 56.00 3gj1 s ARG 215 Cb 0.09 -2.10 -0.08 0.00 0.52 0.00 0.00 34.95 33.38 3gj1 s ARG 215 CO 0.68 -0.43 1.55 0.34 0.02 0.00 0.00 175.30 177.46 3gj1 s ASP 216 N -2.95 6.66 0.22 0.23 2.15 -1.26 -4.97 116.67 116.75 3gj1 s ASP 216 Ca 0.60 2.46 -0.22 0.00 0.43 0.00 0.00 52.55 55.82 3gj1 s ASP 216 Cb -0.12 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 3gj1 s ASP 216 CO 0.33 -0.81 0.74 -1.38 -0.17 0.00 0.00 175.17 173.88 3gj1 s HIS 217 N 1.87 -0.26 -0.03 -5.34 -3.43 -1.26 -2.07 115.29 104.77 3gj1 s HIS 217 Ca 0.70 -0.10 -0.02 0.00 -0.80 0.00 0.00 55.06 54.84 3gj1 s HIS 217 Cb -0.40 0.66 0.02 0.00 -1.43 0.00 0.00 32.58 31.43 3gj1 s HIS 217 CO 0.31 -1.06 0.07 1.41 -2.00 0.00 0.00 174.74 173.47 3gj1 s MET 218 N -3.75 0.04 -0.20 -0.38 1.75 -0.25 -4.97 119.30 111.54 3gj1 s MET 218 Ca 0.09 0.18 -0.11 0.00 -1.25 0.00 0.00 55.69 54.60 3gj1 s MET 218 Cb -0.04 -0.10 -0.05 0.00 2.84 0.00 0.00 34.83 37.48 3gj1 s MET 218 CO 0.01 -0.09 0.18 0.08 -0.65 0.00 0.00 175.02 174.55 3gj1 s VAL 219 N 0.61 5.37 -0.12 10.11 1.01 -0.60 -0.99 120.40 135.80 3gj1 s VAL 219 Ca -0.05 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3gj1 s VAL 219 Cb -0.07 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3gj1 s VAL 219 CO -0.02 0.41 -0.18 -0.22 0.00 0.00 0.00 175.10 175.09 3gj1 s LEU 220 N 0.53 1.86 -0.13 3.92 2.96 0.67 -0.57 118.68 127.92 3gj1 s LEU 220 Ca 0.10 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3gj1 s LEU 220 Cb -0.12 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3gj1 s LEU 220 CO 0.01 0.04 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.78 3gj1 s LEU 221 N 0.91 3.01 0.03 -0.68 2.96 -0.58 -0.86 118.68 123.48 3gj1 s LEU 221 Ca -0.07 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3gj1 s LEU 221 Cb -0.15 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3gj1 s LEU 221 CO -0.01 0.19 0.02 -1.61 -1.32 0.00 0.00 176.35 173.61 3gj1 s GLU 222 N 0.21 0.50 -0.05 1.98 2.02 -0.69 0.09 118.70 122.75 3gj1 s GLU 222 Ca -0.05 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.13 3gj1 s GLU 222 Cb -0.14 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.28 3gj1 s GLU 222 CO 0.04 -0.10 -0.09 -0.06 0.02 0.00 0.00 175.26 175.07 3gj1 s PHE 223 N -2.56 1.12 -0.05 1.61 0.08 -0.43 -0.98 117.98 116.77 3gj1 s PHE 223 Ca -0.06 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.64 3gj1 s PHE 223 Cb -0.02 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.60 3gj1 s PHE 223 CO -0.05 -0.20 -0.04 0.08 -0.10 0.00 0.00 175.22 174.90 3gj1 s VAL 224 N 0.62 0.58 -0.01 -0.44 1.01 0.55 -1.16 120.40 121.54 3gj1 s VAL 224 Ca -0.11 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3gj1 s VAL 224 Cb -0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3gj1 s VAL 224 CO 0.02 0.25 -0.08 -0.89 0.00 0.00 0.00 175.10 174.40 3gj1 s THR 225 N 1.09 0.62 0.44 3.92 2.01 -0.82 -1.27 115.64 121.64 3gj1 s THR 225 Ca -0.08 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.38 3gj1 s THR 225 Cb -0.14 -0.53 -0.11 0.00 0.01 0.00 0.00 72.50 71.74 3gj1 s THR 225 CO -0.01 0.18 0.96 0.00 -0.69 0.00 0.00 174.62 175.06 3gj1 s ALA 226 N -0.15 3.01 0.33 7.40 0.00 0.81 -0.66 121.76 132.50 3gj1 s ALA 226 Ca 0.03 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 3gj1 s ALA 226 Cb -0.03 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 19.98 3gj1 s ALA 226 CO -0.00 0.05 0.88 0.00 0.00 0.00 0.00 175.76 176.69 3gj1 s ALA 227 N -2.15 -0.98 0.00 0.00 0.00 -0.33 -4.62 121.76 113.68 3gj1 s ALA 227 Ca 0.63 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3gj1 s ALA 227 Cb -0.10 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3gj1 s ALA 227 CO 0.14 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3gj1 n GLY 228 N -0.60 0.75 0.00 0.00 0.00 -1.26 -2.07 105.19 102.01 3gj1 n GLY 228 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3gj1 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71