#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj2 h LYS 3 N 0.00 0.04 0.17 4.33 2.10 -1.96 -2.67 116.57 118.57 3gj2 h LYS 3 Ca 0.00 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3gj2 h LYS 3 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3gj2 h LYS 3 CO 0.00 0.04 -0.08 0.78 -2.00 0.00 0.00 179.45 178.19 3gj2 h GLY 4 N 0.02 -0.23 0.00 0.07 0.00 -1.75 -2.70 103.07 98.47 3gj2 h GLY 4 Ca 0.01 0.09 0.16 0.00 0.00 0.00 0.00 47.33 47.58 3gj2 h GLY 4 CO -0.00 -0.09 0.23 0.83 0.00 0.00 0.00 176.54 177.51 3gj2 h GLU 5 N -0.31 0.32 0.00 4.80 5.08 -1.75 -2.34 114.58 120.38 3gj2 h GLU 5 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3gj2 h GLU 5 Cb 0.24 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gj2 h GLU 5 CO 0.04 0.21 -0.08 1.49 -1.00 0.00 0.00 179.01 179.67 3gj2 h GLU 6 N 0.33 0.00 0.00 2.33 4.22 -1.13 -2.10 114.58 118.23 3gj2 h GLU 6 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.86 3gj2 h GLU 6 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3gj2 h GLU 6 CO -0.47 0.08 0.00 -0.07 -2.18 0.00 0.00 179.01 176.37 3gj2 h LEU 7 N 0.00 0.00 -2.84 1.64 3.38 -1.41 -3.13 115.31 112.95 3gj2 h LEU 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj2 h LEU 7 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gj2 h LEU 7 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 3gj2 n PHE 8 N -2.87 0.39 0.20 1.13 3.72 -0.79 -4.60 117.46 114.64 3gj2 n PHE 8 Ca -0.00 -0.48 0.07 0.00 -0.05 0.00 0.00 57.45 56.98 3gj2 n PHE 8 Cb 0.21 -0.03 0.38 0.00 -0.94 0.00 0.00 39.48 39.11 3gj2 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gj2 h THR 9 N 1.78 0.82 -3.29 4.37 1.35 -1.62 -3.36 112.91 112.95 3gj2 h THR 9 Ca 0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3gj2 h THR 9 Cb 0.69 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3gj2 h THR 9 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3gj2 n GLY 10 N 0.14 1.64 3.74 5.82 0.00 -1.26 -4.70 105.19 110.57 3gj2 n GLY 10 Ca -0.00 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 3gj2 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj2 s VAL 11 N 1.32 5.03 -0.08 1.61 1.01 -1.26 -4.37 120.40 123.65 3gj2 s VAL 11 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.20 3gj2 s VAL 11 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3gj2 s VAL 11 CO 0.00 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.58 3gj2 s VAL 12 N 0.23 1.68 0.51 2.92 1.01 -0.07 -4.93 120.40 121.75 3gj2 s VAL 12 Ca 0.31 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 3gj2 s VAL 12 Cb -0.17 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 3gj2 s VAL 12 CO 0.15 0.48 1.11 -2.16 0.00 0.00 0.00 175.10 174.68 3gj2 s PRO 13 N 0.40 3.57 -0.00 2.72 0.04 -1.26 -0.94 135.00 139.54 3gj2 s PRO 13 Ca -0.15 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.52 3gj2 s PRO 13 Cb -0.16 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3gj2 s PRO 13 CO 0.06 -0.66 -0.19 0.42 0.04 0.00 0.00 177.00 176.67 3gj2 s ILE 14 N -1.78 1.50 0.02 0.56 1.01 -0.01 -1.23 121.20 121.27 3gj2 s ILE 14 Ca 0.69 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.52 3gj2 s ILE 14 Cb -0.23 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3gj2 s ILE 14 CO 0.26 0.37 -0.15 -0.22 0.00 0.00 0.00 174.94 175.21 3gj2 s LEU 15 N -0.58 2.12 -0.04 2.97 2.96 -0.24 -2.17 118.68 123.70 3gj2 s LEU 15 Ca 0.07 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3gj2 s LEU 15 Cb -0.07 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.94 3gj2 s LEU 15 CO -0.00 0.09 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 3gj2 s VAL 16 N -0.67 0.88 -0.05 1.68 1.01 0.57 -0.77 120.40 123.05 3gj2 s VAL 16 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3gj2 s VAL 16 Cb -0.07 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3gj2 s VAL 16 CO 0.01 0.28 -0.05 -1.61 0.00 0.00 0.00 175.10 173.72 3gj2 s GLU 17 N 0.38 0.96 -0.06 2.72 0.41 0.00 0.12 118.70 123.23 3gj2 s GLU 17 Ca -0.07 -0.14 0.02 0.00 -0.41 0.00 0.00 54.97 54.37 3gj2 s GLU 17 Cb -0.11 -0.95 0.01 0.00 -1.78 0.00 0.00 34.13 31.30 3gj2 s GLU 17 CO 0.01 -0.08 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.43 3gj2 s LEU 18 N 0.97 1.59 -0.18 1.80 0.20 -0.37 -0.13 118.68 122.56 3gj2 s LEU 18 Ca -0.10 -0.25 -0.04 0.00 0.69 0.00 0.00 54.13 54.43 3gj2 s LEU 18 Cb -0.14 -0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 44.88 3gj2 s LEU 18 CO 0.00 0.02 -0.04 -1.81 -0.29 0.00 0.00 176.35 174.23 3gj2 s ASP 19 N 0.67 4.64 0.14 3.68 1.01 -0.63 -0.97 116.67 125.20 3gj2 s ASP 19 Ca -0.13 -0.22 0.05 0.00 0.71 0.00 0.00 52.55 52.96 3gj2 s ASP 19 Cb -0.15 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 3gj2 s ASP 19 CO 0.03 0.10 -0.12 -0.83 0.21 0.00 0.00 175.17 174.56 3gj2 s GLY 20 N 0.78 1.07 -0.29 0.21 0.00 0.17 -1.57 107.32 107.69 3gj2 s GLY 20 Ca -0.01 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.34 3gj2 s GLY 20 CO 0.02 -1.48 0.44 -0.35 0.00 0.00 0.00 173.10 171.74 3gj2 s ASP 21 N -2.83 0.01 -0.26 1.64 -1.08 -0.99 -0.75 116.67 112.41 3gj2 s ASP 21 Ca 0.13 -0.29 -0.06 0.00 -0.52 0.00 0.00 52.55 51.81 3gj2 s ASP 21 Cb -0.01 1.28 -0.00 0.00 -1.46 0.00 0.00 42.92 42.72 3gj2 s ASP 21 CO 0.02 -0.34 0.04 -0.69 0.52 0.00 0.00 175.17 174.71 3gj2 s VAL 22 N 2.59 3.83 -1.54 1.11 1.01 -0.47 -0.93 120.40 126.00 3gj2 s VAL 22 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 3gj2 s VAL 22 Cb -0.12 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3gj2 s VAL 22 CO -0.29 0.22 0.81 0.59 0.00 0.00 0.00 175.10 176.43 3gj2 n ASN 23 N 4.85 -3.27 0.00 3.32 4.13 -0.35 -0.30 115.26 123.64 3gj2 n ASN 23 Ca -0.16 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.21 3gj2 n ASN 23 Cb 0.49 -3.44 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 3gj2 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gj2 n GLY 24 N -1.64 1.57 3.55 7.41 0.00 -1.26 -4.98 105.19 109.84 3gj2 n GLY 24 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3gj2 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gj2 s HIS 25 N -3.50 2.28 0.07 1.61 3.76 0.59 -5.02 115.29 115.08 3gj2 s HIS 25 Ca 0.00 0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.66 3gj2 s HIS 25 Cb 0.00 -4.58 -0.05 0.00 1.11 0.00 0.00 32.58 29.06 3gj2 s HIS 25 CO 0.00 -2.04 1.04 0.15 -0.85 0.00 0.00 174.74 173.05 3gj2 s LYS 26 N 5.72 4.57 0.07 1.40 1.02 -1.26 -1.37 119.74 129.88 3gj2 s LYS 26 Ca 0.38 1.55 -0.22 0.00 0.02 0.00 0.00 55.97 57.70 3gj2 s LYS 26 Cb -0.08 -3.39 0.05 0.00 -0.52 0.00 0.00 37.83 33.89 3gj2 s LYS 26 CO 0.17 -0.02 0.52 -0.59 -0.92 0.00 0.00 175.35 174.51 3gj2 s PHE 27 N 0.59 -0.42 0.03 3.18 -0.12 0.07 -4.97 117.98 116.34 3gj2 s PHE 27 Ca 0.52 0.40 0.05 0.00 -0.05 0.00 0.00 56.93 57.85 3gj2 s PHE 27 Cb -0.25 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 3gj2 s PHE 27 CO 0.30 -0.67 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.54 3gj2 s SER 28 N -2.14 1.58 -0.01 1.98 0.01 -1.26 0.46 113.70 114.32 3gj2 s SER 28 Ca -0.04 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.85 3gj2 s SER 28 Cb -0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3gj2 s SER 28 CO -0.04 0.04 -0.15 -0.69 0.41 0.00 0.00 173.24 172.82 3gj2 s VAL 29 N -0.78 1.15 -0.11 3.43 1.01 -0.14 -2.11 120.40 122.84 3gj2 s VAL 29 Ca 0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3gj2 s VAL 29 Cb -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3gj2 s VAL 29 CO 0.01 0.33 -0.23 -0.44 0.00 0.00 0.00 175.10 174.77 3gj2 s SER 30 N -0.33 3.17 0.24 3.32 0.01 -0.27 -1.24 113.70 118.60 3gj2 s SER 30 Ca 0.05 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.82 3gj2 s SER 30 Cb -0.06 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 3gj2 s SER 30 CO -0.01 0.14 -0.05 -0.83 0.41 0.00 0.00 173.24 172.90 3gj2 s GLY 31 N 0.47 1.63 0.05 3.44 0.00 0.12 -1.29 107.32 111.73 3gj2 s GLY 31 Ca -0.15 -1.80 -0.23 0.00 0.00 0.00 0.00 44.72 42.54 3gj2 s GLY 31 CO 0.06 -1.76 0.54 -1.83 0.00 0.00 0.00 173.10 170.12 3gj2 s GLU 32 N -3.76 1.06 0.00 2.90 4.04 -0.78 -0.31 118.70 121.85 3gj2 s GLU 32 Ca 0.27 -0.21 0.00 0.00 0.04 0.00 0.00 54.97 55.07 3gj2 s GLU 32 Cb 0.04 0.49 0.00 0.00 0.02 0.00 0.00 34.13 34.68 3gj2 s GLU 32 CO 0.09 -0.39 0.00 0.41 -1.84 0.00 0.00 175.26 173.53 3gj2 n GLY 33 N 0.37 -0.71 3.47 -3.83 0.00 -0.92 -0.92 105.19 102.65 3gj2 n GLY 33 Ca -0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 3gj2 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gj2 s GLU 34 N -0.71 1.08 0.04 1.61 -1.05 -0.39 -0.83 118.70 118.45 3gj2 s GLU 34 Ca 0.00 -0.21 0.06 0.00 -0.15 0.00 0.00 54.97 54.66 3gj2 s GLU 34 Cb 0.00 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 3gj2 s GLU 34 CO 0.00 -0.43 -0.17 0.20 0.95 0.00 0.00 175.26 175.81 3gj2 s GLY 35 N -2.20 0.93 -0.47 -3.83 0.00 -0.11 -1.60 107.32 100.05 3gj2 s GLY 35 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.81 3gj2 s GLY 35 CO -0.06 -0.89 0.35 -0.35 0.00 0.00 0.00 173.10 172.16 3gj2 s ASP 36 N -1.20 2.35 0.53 1.64 -1.08 0.46 -0.89 116.67 118.47 3gj2 s ASP 36 Ca 0.04 -3.12 0.31 0.00 -0.52 0.00 0.00 52.55 49.25 3gj2 s ASP 36 Cb -0.08 -0.70 1.44 0.00 -1.46 0.00 0.00 42.92 42.11 3gj2 s ASP 36 CO 0.02 -0.17 2.03 0.00 0.52 0.00 0.00 175.17 177.57 3gj2 h ALA 37 N 5.77 1.09 -0.91 3.66 0.00 -1.73 -0.80 119.26 126.34 3gj2 h ALA 37 Ca 0.21 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.18 3gj2 h ALA 37 Cb 0.88 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3gj2 h ALA 37 CO 0.44 0.11 0.59 1.15 0.00 0.00 0.00 179.25 181.53 3gj2 h THR 38 N 0.00 0.83 -0.01 0.00 2.02 -1.84 -2.00 112.91 111.91 3gj2 h THR 38 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3gj2 h THR 38 Cb 0.44 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3gj2 h THR 38 CO 0.01 0.13 -0.45 -1.22 0.37 0.00 0.00 175.52 174.36 3gj2 n TYR 39 N -4.58 0.00 -1.98 3.16 4.01 -0.77 -4.92 117.16 112.08 3gj2 n TYR 39 Ca 0.18 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.87 3gj2 n TYR 39 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3gj2 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gj2 n GLY 40 N 1.20 0.24 3.51 2.72 0.00 -0.38 -4.78 105.19 107.69 3gj2 n GLY 40 Ca 0.05 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3gj2 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj2 s LYS 41 N -4.03 2.78 0.11 1.61 2.20 -0.74 -1.01 119.74 120.66 3gj2 s LYS 41 Ca 0.00 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 3gj2 s LYS 41 Cb 0.00 -2.53 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3gj2 s LYS 41 CO 0.00 0.57 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.89 3gj2 s LEU 42 N -0.56 2.35 -0.05 5.43 1.43 -0.11 -0.40 118.68 126.76 3gj2 s LEU 42 Ca 0.08 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3gj2 s LEU 42 Cb -0.12 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.53 3gj2 s LEU 42 CO 0.02 -0.09 0.10 0.42 0.23 0.00 0.00 176.35 177.03 3gj2 s THR 43 N -1.73 -0.14 0.00 5.49 -4.23 -0.63 -2.09 115.64 112.32 3gj2 s THR 43 Ca 0.06 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 3gj2 s THR 43 Cb -0.07 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.57 3gj2 s THR 43 CO 0.03 0.14 0.13 -0.76 -0.54 0.00 0.00 174.62 173.62 3gj2 s LEU 44 N 1.84 1.59 -0.01 4.79 1.43 -0.21 -1.27 118.68 126.85 3gj2 s LEU 44 Ca -0.01 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3gj2 s LEU 44 Cb -0.12 0.63 -0.01 0.00 0.03 0.00 0.00 46.19 46.72 3gj2 s LEU 44 CO -0.04 -0.35 -0.07 -0.75 0.23 0.00 0.00 176.35 175.36 3gj2 s LYS 45 N -1.34 0.59 0.05 1.70 2.20 -0.10 -1.01 119.74 121.84 3gj2 s LYS 45 Ca -0.14 -0.26 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 3gj2 s LYS 45 Cb -0.08 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.65 3gj2 s LYS 45 CO 0.01 0.16 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.87 3gj2 s PHE 46 N -0.17 1.97 -0.07 4.03 0.08 0.52 -1.86 117.98 122.48 3gj2 s PHE 46 Ca 0.03 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.72 3gj2 s PHE 46 Cb -0.03 -1.17 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 3gj2 s PHE 46 CO -0.00 0.11 -0.14 0.42 -0.10 0.00 0.00 175.22 175.51 3gj2 s ILE 47 N -0.82 1.26 -0.62 0.64 -1.09 -0.42 -1.13 121.20 119.02 3gj2 s ILE 47 Ca 0.09 -0.56 -0.26 0.00 -2.23 0.00 0.00 60.65 57.70 3gj2 s ILE 47 Cb -0.09 -1.14 0.04 0.00 -1.58 0.00 0.00 42.46 39.69 3gj2 s ILE 47 CO 0.02 0.38 1.10 0.00 -1.23 0.00 0.00 174.94 175.21 3gj2 n THR 49 N 6.33 0.00 0.64 0.00 -2.24 -0.90 -3.06 114.28 115.05 3gj2 n THR 49 Ca 0.03 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3gj2 n THR 49 Cb 0.48 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 3gj2 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gj2 n THR 50 N -1.13 0.07 0.00 4.28 -2.24 -1.25 -4.97 114.28 109.04 3gj2 n THR 50 Ca 0.15 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3gj2 n THR 50 Cb 0.24 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3gj2 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj2 n GLY 51 N 1.40 0.41 3.75 3.38 0.00 -1.17 -5.01 105.19 107.95 3gj2 n GLY 51 Ca 0.02 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 3gj2 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gj2 s LYS 52 N -0.50 4.62 -0.19 1.61 0.00 -1.26 -4.64 119.74 119.38 3gj2 s LYS 52 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 55.97 57.45 3gj2 s LYS 52 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 37.83 34.60 3gj2 s LYS 52 CO 0.00 0.15 1.21 -1.17 0.00 0.00 0.00 175.35 175.54 3gj2 s LEU 53 N -0.97 4.15 0.00 2.77 2.96 -1.26 -4.88 118.68 121.45 3gj2 s LEU 53 Ca 0.47 1.59 0.15 0.00 -0.22 0.00 0.00 54.13 56.13 3gj2 s LEU 53 Cb -0.31 -3.54 0.76 0.00 0.50 0.00 0.00 46.19 43.60 3gj2 s LEU 53 CO 0.38 -0.75 1.44 -0.81 -1.32 0.00 0.00 176.35 175.29 3gj2 n PRO 54 N 6.57 0.19 -4.34 0.98 -0.04 -1.26 -4.59 135.00 132.51 3gj2 n PRO 54 Ca 0.13 0.16 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 3gj2 n PRO 54 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3gj2 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gj2 s VAL 55 N -2.64 1.67 0.22 0.52 -7.23 -1.26 -4.63 120.40 107.05 3gj2 s VAL 55 Ca 0.13 -2.19 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 3gj2 s VAL 55 Cb 0.10 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 3gj2 s VAL 55 CO 0.24 -0.60 1.22 -2.84 -0.31 0.00 0.00 175.10 172.82 3gj2 s PRO 56 N -3.66 4.48 0.27 4.82 0.02 -1.26 -4.93 135.00 134.73 3gj2 s PRO 56 Ca 0.22 1.95 -0.09 0.00 0.02 0.00 0.00 61.00 63.10 3gj2 s PRO 56 Cb -0.00 -3.20 0.42 0.00 0.02 0.00 0.00 34.50 31.74 3gj2 s PRO 56 CO 0.06 -0.09 1.57 -1.49 -0.33 0.00 0.00 177.00 176.73 3gj2 h TRP 57 N 4.78 -0.50 -0.05 6.54 4.06 -1.97 -0.87 115.95 127.94 3gj2 h TRP 57 Ca -0.45 0.08 0.02 0.00 2.06 0.00 0.00 58.89 60.60 3gj2 h TRP 57 Cb 1.22 0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 29.74 3gj2 h TRP 57 CO 0.61 -0.40 0.06 -1.35 -3.56 0.00 0.00 178.44 173.79 3gj2 h PRO 58 N -0.00 0.00 0.00 0.49 0.11 -1.89 -0.05 132.00 130.65 3gj2 h PRO 58 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3gj2 h PRO 58 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3gj2 h PRO 58 CO -0.97 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.07 3gj2 n THR 59 N -3.97 0.97 0.69 -1.15 -2.24 -0.33 -2.70 114.28 105.54 3gj2 n THR 59 Ca -0.02 0.26 0.07 0.00 -2.27 0.00 0.00 64.05 62.09 3gj2 n THR 59 Cb 0.15 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.28 3gj2 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gj2 n LEU 60 N -1.75 1.33 -0.03 3.22 4.77 -0.03 -4.65 117.00 119.85 3gj2 n LEU 60 Ca 0.03 -0.69 -0.08 0.00 -0.03 0.00 0.00 56.01 55.24 3gj2 n LEU 60 Cb 0.18 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3gj2 n LEU 60 CO 0.15 0.27 0.74 0.58 -1.33 0.00 0.00 177.39 177.80 3gj2 h VAL 61 N 1.23 0.53 -0.20 4.08 2.07 -1.56 -1.01 116.25 121.39 3gj2 h VAL 61 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3gj2 h VAL 61 Cb 0.48 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3gj2 h VAL 61 CO 0.00 0.00 0.05 0.71 0.02 0.00 0.00 177.57 178.35 3gj2 h THR 62 N -0.18 1.10 -0.02 2.57 1.35 -1.82 -3.06 112.91 112.85 3gj2 h THR 62 Ca 0.12 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.60 3gj2 h THR 62 Cb 0.37 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3gj2 h THR 62 CO -0.32 0.13 -0.09 0.74 -0.25 0.00 0.00 175.52 175.73 3gj2 h THR 63 N 0.28 1.49 0.00 6.82 2.02 -1.67 -3.45 112.91 118.40 3gj2 h THR 63 Ca 0.07 -1.57 -0.31 0.00 0.77 0.00 0.00 66.41 65.36 3gj2 h THR 63 Cb 0.12 2.48 0.04 0.00 -1.74 0.00 0.00 68.15 69.05 3gj2 h THR 63 CO -0.00 0.42 1.68 0.49 0.37 0.00 0.00 175.52 178.48 3gj2 n PHE 64 N -4.68 0.62 0.00 3.16 3.72 -0.45 -5.06 117.46 114.77 3gj2 n PHE 64 Ca -0.09 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.25 3gj2 n PHE 64 Cb 0.37 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 3gj2 n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gj2 n VAL 68 N 5.35 0.00 1.20 -4.37 0.24 -1.26 -5.00 118.33 114.49 3gj2 n VAL 68 Ca 0.28 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.68 3gj2 n VAL 68 Cb 0.18 0.00 0.58 0.00 -1.47 0.00 0.00 33.84 33.13 3gj2 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj2 n GLN 69 N 0.00 0.56 0.25 7.34 6.02 -1.26 -0.97 117.38 129.32 3gj2 n GLN 69 Ca 0.00 0.02 0.17 0.00 -0.01 0.00 0.00 57.00 57.19 3gj2 n GLN 69 Cb 0.00 -1.50 0.90 0.00 1.02 0.00 0.00 30.24 30.66 3gj2 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj2 n PHE 71 N -2.69 0.35 -2.29 0.00 3.72 -0.14 -4.68 117.46 111.72 3gj2 n PHE 71 Ca -0.02 -0.17 -0.36 0.00 -0.05 0.00 0.00 57.45 56.84 3gj2 n PHE 71 Cb 0.07 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 3gj2 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gj2 s SER 72 N -1.19 6.11 -0.35 4.37 0.01 -0.92 -4.14 113.70 117.60 3gj2 s SER 72 Ca 0.25 2.25 -0.23 0.00 1.31 0.00 0.00 55.95 59.52 3gj2 s SER 72 Cb 0.13 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.77 3gj2 s SER 72 CO 0.18 -0.95 0.80 -0.60 0.41 0.00 0.00 173.24 173.08 3gj2 s ARG 73 N -2.84 3.82 -0.31 12.44 3.52 -0.36 -4.78 118.95 130.44 3gj2 s ARG 73 Ca 0.65 0.42 -0.15 0.00 -0.13 0.00 0.00 55.73 56.52 3gj2 s ARG 73 Cb -0.27 -3.78 -0.02 0.00 -1.56 0.00 0.00 34.95 29.32 3gj2 s ARG 73 CO 0.32 -0.81 0.36 0.71 -0.81 0.00 0.00 175.30 175.07 3gj2 s TYR 74 N 3.09 3.22 0.52 5.12 1.51 -1.26 -0.76 117.35 128.79 3gj2 s TYR 74 Ca 0.32 0.16 -0.21 0.00 -1.01 0.00 0.00 57.07 56.33 3gj2 s TYR 74 Cb -0.13 -2.63 -0.08 0.00 -0.11 0.00 0.00 41.96 39.01 3gj2 s TYR 74 CO 0.16 -0.35 1.01 -2.30 -1.11 0.00 0.00 175.55 172.96 3gj2 n PRO 75 N 5.37 1.18 -0.31 -1.71 -0.02 -1.26 -4.70 135.00 133.54 3gj2 n PRO 75 Ca -0.09 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3gj2 n PRO 75 Cb 0.50 -2.14 0.32 0.00 -0.02 0.00 0.00 33.50 32.16 3gj2 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gj2 h ASP 76 N 1.05 -0.02 0.40 2.55 3.45 -2.01 0.12 116.42 121.96 3gj2 h ASP 76 Ca -0.47 0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.21 3gj2 h ASP 76 Cb 1.35 0.30 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 3gj2 h ASP 76 CO 0.54 -0.21 0.00 0.00 -1.57 0.00 0.00 179.24 178.00 3gj2 n HIS 77 N -5.26 0.34 -0.34 4.55 1.44 -1.26 -2.19 115.22 112.50 3gj2 n HIS 77 Ca 0.24 0.15 0.05 0.00 -2.01 0.00 0.00 57.72 56.14 3gj2 n HIS 77 Cb 0.76 -0.74 0.11 0.00 0.12 0.00 0.00 29.99 30.25 3gj2 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3gj2 n MET 78 N -1.82 2.74 -0.29 -1.40 2.81 0.40 -4.77 117.12 114.79 3gj2 n MET 78 Ca 0.02 -2.04 0.22 0.00 -1.81 0.00 0.00 57.70 54.09 3gj2 n MET 78 Cb 0.14 -1.29 0.53 0.00 -0.71 0.00 0.00 33.22 31.89 3gj2 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gj2 h LYS 79 N 1.05 0.36 0.00 0.03 1.57 -1.29 -0.46 116.57 117.83 3gj2 h LYS 79 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3gj2 h LYS 79 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3gj2 h LYS 79 CO 0.03 0.24 0.00 2.89 -0.57 0.00 0.00 179.45 182.04 3gj2 n ARG 80 N -4.54 0.05 -0.42 3.15 0.00 -1.26 -2.64 116.66 111.00 3gj2 n ARG 80 Ca 0.23 0.29 0.10 0.00 -0.00 0.00 0.00 57.85 58.47 3gj2 n ARG 80 Cb 0.83 -1.60 0.31 0.00 -0.00 0.00 0.00 32.46 32.00 3gj2 n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3gj2 n HIS 81 N -1.70 1.06 -3.16 2.89 8.25 -0.18 -4.52 115.22 117.85 3gj2 n HIS 81 Ca 0.03 -0.55 -0.46 0.00 -0.26 0.00 0.00 57.72 56.49 3gj2 n HIS 81 Cb 0.19 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 3gj2 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gj2 s ASP 82 N -1.01 6.77 0.13 0.41 -1.08 -1.08 -4.56 116.67 116.26 3gj2 s ASP 82 Ca 0.46 -2.53 -0.13 0.00 -0.52 0.00 0.00 52.55 49.83 3gj2 s ASP 82 Cb 0.26 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 39.42 3gj2 s ASP 82 CO 0.27 -0.74 1.55 0.15 0.52 0.00 0.00 175.17 176.91 3gj2 h PHE 83 N 8.06 0.92 -0.17 -5.34 3.57 -1.88 -2.99 116.94 119.11 3gj2 h PHE 83 Ca 0.14 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3gj2 h PHE 83 Cb 1.02 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3gj2 h PHE 83 CO 1.07 0.93 0.10 0.74 -2.23 0.00 0.00 178.31 178.92 3gj2 h PHE 84 N 0.64 0.23 -0.17 0.41 0.04 -1.88 -2.06 116.94 114.15 3gj2 h PHE 84 Ca 0.11 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 3gj2 h PHE 84 Cb 0.62 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3gj2 h PHE 84 CO 0.05 0.19 -0.40 0.87 -0.60 0.00 0.00 178.31 178.42 3gj2 h LYS 85 N 0.20 0.38 0.00 1.51 1.57 -1.84 -3.13 116.57 115.26 3gj2 h LYS 85 Ca 0.06 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3gj2 h LYS 85 Cb 0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3gj2 h LYS 85 CO -0.01 0.72 -0.07 0.66 -0.57 0.00 0.00 179.45 180.18 3gj2 h SER 86 N 0.32 0.00 0.52 0.86 4.64 -1.23 -0.20 113.55 118.45 3gj2 h SER 86 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3gj2 h SER 86 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3gj2 h SER 86 CO 0.07 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3gj2 n ALA 87 N -2.48 2.29 -2.10 5.18 0.00 -0.86 -4.75 120.51 117.78 3gj2 n ALA 87 Ca -0.03 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 3gj2 n ALA 87 Cb 0.15 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 3gj2 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gj2 s MET 88 N -2.60 3.98 0.05 0.00 1.00 -0.09 -0.06 119.30 121.58 3gj2 s MET 88 Ca 0.24 0.69 0.24 0.00 0.00 0.00 0.00 55.69 56.86 3gj2 s MET 88 Cb 0.17 -2.39 0.39 0.00 0.00 0.00 0.00 34.83 33.00 3gj2 s MET 88 CO 0.40 0.09 1.33 -0.35 0.00 0.00 0.00 175.02 176.49 3gj2 n PRO 89 N -0.59 0.15 0.18 2.03 -0.04 -1.26 -4.13 135.00 131.34 3gj2 n PRO 89 Ca 0.04 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 3gj2 n PRO 89 Cb 0.53 -1.58 0.43 0.00 -0.04 0.00 0.00 33.50 32.84 3gj2 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gj2 h GLU 90 N 0.00 0.07 0.00 0.54 5.08 -1.91 -2.22 114.58 116.14 3gj2 h GLU 90 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3gj2 h GLU 90 Cb 0.62 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3gj2 h GLU 90 CO 0.00 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 3gj2 n GLY 91 N -0.83 -1.94 3.29 -3.84 0.00 0.91 -4.63 105.19 98.14 3gj2 n GLY 91 Ca -0.02 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 3gj2 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gj2 s TYR 92 N -0.44 1.40 -0.14 1.61 -0.85 -0.48 -0.22 117.35 118.23 3gj2 s TYR 92 Ca 0.00 -1.02 -0.06 0.00 -0.52 0.00 0.00 57.07 55.47 3gj2 s TYR 92 Cb 0.00 -0.81 -0.04 0.00 0.38 0.00 0.00 41.96 41.49 3gj2 s TYR 92 CO 0.00 -0.18 0.09 0.08 -1.52 0.00 0.00 175.55 174.02 3gj2 s VAL 93 N -3.60 5.04 -0.14 -3.49 1.01 0.41 -0.05 120.40 119.58 3gj2 s VAL 93 Ca 0.29 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3gj2 s VAL 93 Cb 0.06 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.25 3gj2 s VAL 93 CO 0.08 0.55 -0.17 -1.58 0.00 0.00 0.00 175.10 173.98 3gj2 s GLN 94 N -0.46 2.51 -0.04 2.72 0.74 -0.17 -1.93 119.66 123.02 3gj2 s GLN 94 Ca 0.11 -0.65 0.05 0.00 0.05 0.00 0.00 55.36 54.92 3gj2 s GLN 94 Cb -0.12 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.79 3gj2 s GLN 94 CO 0.02 -0.15 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.20 3gj2 s GLU 95 N 1.21 2.40 0.04 1.67 2.02 0.12 -0.85 118.70 125.32 3gj2 s GLU 95 Ca -0.00 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.20 3gj2 s GLU 95 Cb -0.14 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 3gj2 s GLU 95 CO -0.07 0.55 -0.06 1.03 0.02 0.00 0.00 175.26 176.73 3gj2 s ARG 96 N -0.57 0.51 -0.10 1.61 0.52 -0.43 -0.27 118.95 120.22 3gj2 s ARG 96 Ca 0.08 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3gj2 s ARG 96 Cb -0.11 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.22 3gj2 s ARG 96 CO 0.00 0.01 -0.19 0.95 0.02 0.00 0.00 175.30 176.10 3gj2 s THR 97 N -1.78 1.68 -0.14 0.02 -4.23 -0.48 -1.10 115.64 109.61 3gj2 s THR 97 Ca -0.08 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 3gj2 s THR 97 Cb -0.07 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.29 3gj2 s THR 97 CO -0.01 0.48 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.71 3gj2 s ILE 98 N 0.64 1.95 -0.28 2.99 1.01 0.27 -1.45 121.20 126.33 3gj2 s ILE 98 Ca -0.13 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3gj2 s ILE 98 Cb -0.16 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.65 3gj2 s ILE 98 CO 0.04 0.53 0.01 -0.44 0.00 0.00 0.00 174.94 175.08 3gj2 s SER 99 N 0.90 4.13 -0.24 3.58 0.01 -0.78 -0.15 113.70 121.14 3gj2 s SER 99 Ca -0.06 -1.55 -0.29 0.00 1.31 0.00 0.00 55.95 55.36 3gj2 s SER 99 Cb -0.15 -1.21 0.01 0.00 0.21 0.00 0.00 66.02 64.88 3gj2 s SER 99 CO -0.03 -0.32 1.05 -0.36 0.41 0.00 0.00 173.24 173.99 3gj2 s PHE 100 N 1.33 3.31 0.36 2.43 0.08 -0.53 -1.32 117.98 123.63 3gj2 s PHE 100 Ca 0.03 1.43 -0.28 0.00 0.12 0.00 0.00 56.93 58.22 3gj2 s PHE 100 Cb -0.18 -3.33 -0.10 0.00 -0.57 0.00 0.00 43.02 38.84 3gj2 s PHE 100 CO -0.12 -0.54 1.37 -1.59 -0.10 0.00 0.00 175.22 174.24 3gj2 s LYS 101 N 3.26 4.21 -2.00 0.44 0.00 -0.30 -0.93 119.74 124.42 3gj2 s LYS 101 Ca 0.44 2.32 0.00 0.00 0.00 0.00 0.00 55.97 58.74 3gj2 s LYS 101 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 37.83 34.69 3gj2 s LYS 101 CO 0.07 -0.35 0.00 -0.25 0.00 0.00 0.00 175.35 174.82 3gj2 n ASP 102 N 0.58 -5.04 -0.50 0.03 8.00 -1.26 -4.80 116.55 113.57 3gj2 n ASP 102 Ca 0.01 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.96 3gj2 n ASP 102 Cb 0.41 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 3gj2 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gj2 n ASP 103 N -1.21 0.00 -2.80 -2.24 -0.08 -0.11 -4.97 116.55 105.14 3gj2 n ASP 103 Ca -0.19 -0.50 -0.11 0.00 -1.51 0.00 0.00 54.79 52.48 3gj2 n ASP 103 Cb 0.63 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.17 3gj2 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gj2 n GLY 104 N 0.00 -1.86 3.15 0.27 0.00 -0.94 -4.54 105.19 101.27 3gj2 n GLY 104 Ca 0.00 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 3gj2 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj2 s ASN 105 N -2.75 1.52 -0.11 1.61 2.20 -0.80 -1.46 114.94 115.16 3gj2 s ASN 105 Ca 0.28 -0.63 -0.05 0.00 -0.94 0.00 0.00 52.86 51.52 3gj2 s ASN 105 Cb -0.02 -0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.17 3gj2 s ASN 105 CO 0.20 -0.12 0.08 -0.31 -2.94 0.00 0.00 177.10 174.02 3gj2 s TYR 106 N -1.42 3.41 -0.08 1.54 2.02 0.78 -1.97 117.35 121.64 3gj2 s TYR 106 Ca -0.02 0.38 0.04 0.00 -0.37 0.00 0.00 57.07 57.09 3gj2 s TYR 106 Cb -0.09 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 3gj2 s TYR 106 CO 0.02 0.60 -0.20 0.15 -1.57 0.00 0.00 175.55 174.55 3gj2 s LYS 107 N -0.87 2.80 0.02 -0.62 1.02 0.14 -0.56 119.74 121.68 3gj2 s LYS 107 Ca 0.14 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.36 3gj2 s LYS 107 Cb -0.12 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3gj2 s LYS 107 CO 0.03 0.37 -0.12 0.95 -0.92 0.00 0.00 175.35 175.66 3gj2 s THR 108 N -0.10 0.94 -0.08 2.17 -4.23 -0.26 -0.67 115.64 113.42 3gj2 s THR 108 Ca -0.04 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3gj2 s THR 108 Cb -0.14 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.89 3gj2 s THR 108 CO 0.04 0.06 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.55 3gj2 s ARG 109 N -0.82 0.90 0.05 3.99 3.52 -0.07 -1.31 118.95 125.21 3gj2 s ARG 109 Ca 0.01 -0.04 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 3gj2 s ARG 109 Cb -0.06 -1.10 -0.02 0.00 -1.56 0.00 0.00 34.95 32.20 3gj2 s ARG 109 CO 0.01 -0.24 -0.17 0.00 -0.81 0.00 0.00 175.30 174.09 3gj2 s ALA 110 N 1.65 1.39 -0.15 6.12 0.00 -0.03 -0.22 121.76 130.51 3gj2 s ALA 110 Ca 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 3gj2 s ALA 110 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3gj2 s ALA 110 CO -0.05 0.28 -0.03 -1.21 0.00 0.00 0.00 175.76 174.75 3gj2 s GLU 111 N -1.23 3.64 -0.28 0.00 2.02 -0.40 -1.00 118.70 121.44 3gj2 s GLU 111 Ca 0.03 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 3gj2 s GLU 111 Cb -0.08 -2.92 0.05 0.00 0.10 0.00 0.00 34.13 31.28 3gj2 s GLU 111 CO 0.02 0.28 -0.03 0.08 0.02 0.00 0.00 175.26 175.62 3gj2 s VAL 112 N 0.27 2.79 0.10 2.63 1.01 0.93 -1.79 120.40 126.35 3gj2 s VAL 112 Ca -0.03 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 3gj2 s VAL 112 Cb -0.14 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.70 3gj2 s VAL 112 CO 0.03 -0.05 0.48 -1.59 0.00 0.00 0.00 175.10 173.97 3gj2 s LYS 113 N 1.23 1.09 0.18 2.72 -2.85 -0.53 -1.38 119.74 120.20 3gj2 s LYS 113 Ca -0.05 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 3gj2 s LYS 113 Cb -0.19 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 35.99 3gj2 s LYS 113 CO -0.02 -0.42 1.23 -0.06 0.10 0.00 0.00 175.35 176.18 3gj2 s PHE 114 N -3.22 3.37 -0.30 1.78 0.40 -0.84 -0.70 117.98 118.48 3gj2 s PHE 114 Ca -0.01 1.35 0.03 0.00 -0.60 0.00 0.00 56.93 57.70 3gj2 s PHE 114 Cb 0.00 -3.49 0.08 0.00 0.51 0.00 0.00 43.02 40.13 3gj2 s PHE 114 CO -0.08 -1.43 -0.01 -1.21 0.70 0.00 0.00 175.22 173.20 3gj2 s GLU 115 N -0.10 1.68 7.42 0.44 2.02 0.97 -4.93 118.70 126.20 3gj2 s GLU 115 Ca 0.54 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.96 3gj2 s GLU 115 Cb -0.34 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 30.93 3gj2 s GLU 115 CO 0.37 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.26 3gj2 n GLY 116 N 4.39 3.12 0.62 -1.39 0.00 -1.26 -1.50 105.19 109.17 3gj2 n GLY 116 Ca -0.04 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.83 3gj2 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gj2 n ASP 117 N 4.59 1.81 -4.47 1.61 5.68 -1.26 -4.87 116.55 119.65 3gj2 n ASP 117 Ca 0.00 -1.96 -0.33 0.00 -0.50 0.00 0.00 54.79 52.00 3gj2 n ASP 117 Cb 0.00 -0.21 -0.13 0.00 -1.14 0.00 0.00 41.12 39.64 3gj2 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gj2 s THR 118 N -1.57 3.55 -0.22 2.12 2.01 -0.56 -4.27 115.64 116.69 3gj2 s THR 118 Ca 0.24 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.47 3gj2 s THR 118 Cb 0.13 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.13 3gj2 s THR 118 CO 0.17 0.52 1.00 -0.22 -0.69 0.00 0.00 174.62 175.40 3gj2 s LEU 119 N 0.15 4.11 -0.10 4.42 1.98 -0.36 -0.02 118.68 128.86 3gj2 s LEU 119 Ca -0.04 1.34 0.04 0.00 -2.89 0.00 0.00 54.13 52.58 3gj2 s LEU 119 Cb -0.14 -3.48 -0.00 0.00 0.66 0.00 0.00 46.19 43.23 3gj2 s LEU 119 CO 0.04 -0.61 -0.22 -0.69 -1.89 0.00 0.00 176.35 172.97 3gj2 s VAL 120 N 2.98 2.22 -0.41 1.68 1.01 0.12 -1.07 120.40 126.93 3gj2 s VAL 120 Ca 0.43 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3gj2 s VAL 120 Cb -0.15 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.47 3gj2 s VAL 120 CO 0.08 0.56 0.23 0.21 0.00 0.00 0.00 175.10 176.17 3gj2 s ASN 121 N 0.25 5.41 -0.20 3.32 2.47 0.05 -1.46 114.94 124.79 3gj2 s ASN 121 Ca -0.15 -1.82 -0.08 0.00 0.42 0.00 0.00 52.86 51.23 3gj2 s ASN 121 Cb -0.17 -1.89 -0.04 0.00 -1.45 0.00 0.00 41.25 37.70 3gj2 s ASN 121 CO 0.08 -0.55 0.07 -0.13 -3.72 0.00 0.00 177.10 172.85 3gj2 s ARG 122 N 1.26 3.91 -0.02 0.43 0.52 -0.74 -0.82 118.95 123.50 3gj2 s ARG 122 Ca 0.05 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3gj2 s ARG 122 Cb -0.23 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 31.98 3gj2 s ARG 122 CO -0.02 0.16 -0.10 0.42 0.02 0.00 0.00 175.30 175.78 3gj2 s ILE 123 N 0.69 0.82 -0.14 1.52 1.01 0.82 -1.27 121.20 124.65 3gj2 s ILE 123 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3gj2 s ILE 123 Cb -0.13 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 3gj2 s ILE 123 CO 0.02 0.25 -0.09 -0.70 0.00 0.00 0.00 174.94 174.42 3gj2 s GLU 124 N 0.06 3.51 -0.04 2.79 2.56 0.69 -1.61 118.70 126.67 3gj2 s GLU 124 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 54.97 54.38 3gj2 s GLU 124 Cb -0.07 -2.77 0.00 0.00 2.00 0.00 0.00 34.13 33.29 3gj2 s GLU 124 CO 0.00 0.21 -0.13 -1.17 -0.56 0.00 0.00 175.26 173.62 3gj2 s LEU 125 N 0.39 1.80 -0.11 2.70 0.20 -0.61 -0.89 118.68 122.15 3gj2 s LEU 125 Ca -0.07 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.48 3gj2 s LEU 125 Cb -0.15 -0.79 0.02 0.00 -0.43 0.00 0.00 46.19 44.83 3gj2 s LEU 125 CO 0.04 0.09 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.51 3gj2 s LYS 126 N 0.26 2.19 -0.09 1.98 3.01 0.16 -2.34 119.74 124.91 3gj2 s LYS 126 Ca -0.07 -0.54 0.02 0.00 -1.01 0.00 0.00 55.97 54.37 3gj2 s LYS 126 Cb -0.12 -1.89 -0.02 0.00 -1.01 0.00 0.00 37.83 34.79 3gj2 s LYS 126 CO 0.02 -0.09 -0.14 0.20 0.51 0.00 0.00 175.35 175.85 3gj2 s GLY 127 N 1.07 1.54 0.08 -3.33 0.00 -0.11 0.28 107.32 106.85 3gj2 s GLY 127 Ca -0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 3gj2 s GLY 127 CO -0.03 -0.45 0.07 -0.26 0.00 0.00 0.00 173.10 172.43 3gj2 s ILE 128 N -0.14 0.17 -0.98 0.90 -4.36 -0.83 -1.21 121.20 114.74 3gj2 s ILE 128 Ca -0.01 -1.62 -0.03 0.00 -0.26 0.00 0.00 60.65 58.74 3gj2 s ILE 128 Cb -0.14 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.00 3gj2 s ILE 128 CO 0.03 -0.76 0.36 0.47 0.24 0.00 0.00 174.94 175.28 3gj2 n ASP 129 N 0.00 -4.39 -4.70 4.36 8.00 -1.26 -1.91 116.55 116.65 3gj2 n ASP 129 Ca -0.12 -0.17 -0.38 0.00 0.71 0.00 0.00 54.79 54.83 3gj2 n ASP 129 Cb 0.62 -3.28 -0.06 0.00 -0.02 0.00 0.00 41.12 38.37 3gj2 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gj2 s PHE 130 N -2.92 3.46 -0.28 1.24 0.40 -1.26 -2.22 117.98 116.40 3gj2 s PHE 130 Ca 0.18 0.81 -0.28 0.00 -0.60 0.00 0.00 56.93 57.04 3gj2 s PHE 130 Cb -0.08 -2.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 3gj2 s PHE 130 CO 0.22 0.09 2.16 0.15 0.70 0.00 0.00 175.22 178.54 3gj2 s LYS 131 N 0.93 3.02 0.59 0.44 1.02 -1.26 -4.86 119.74 119.62 3gj2 s LYS 131 Ca 0.24 1.82 0.36 0.00 0.02 0.00 0.00 55.97 58.40 3gj2 s LYS 131 Cb -0.15 -4.37 1.29 0.00 -0.52 0.00 0.00 37.83 34.08 3gj2 s LYS 131 CO 0.09 -2.23 1.48 1.05 -0.92 0.00 0.00 175.35 174.83 3gj2 h GLU 132 N 15.26 0.00 -0.03 1.68 -0.00 -1.96 1.43 114.58 130.96 3gj2 h GLU 132 Ca -0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.98 3gj2 h GLU 132 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.97 3gj2 h GLU 132 CO 1.00 0.00 -0.29 -0.40 -0.00 0.00 0.00 179.01 179.32 3gj2 n ASP 133 N -3.59 2.02 -4.28 3.06 3.85 -1.26 -4.17 116.55 112.19 3gj2 n ASP 133 Ca 0.29 -3.60 -0.30 0.00 -0.71 0.00 0.00 54.79 50.47 3gj2 n ASP 133 Cb 1.60 -0.50 0.18 0.00 -1.35 0.00 0.00 41.12 41.04 3gj2 n ASP 133 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3gj2 s GLY 134 N -3.05 1.67 0.46 6.12 0.00 0.49 -4.70 107.32 108.31 3gj2 s GLY 134 Ca 0.36 -0.94 0.12 0.00 0.00 0.00 0.00 44.72 44.26 3gj2 s GLY 134 CO -0.03 -0.22 2.08 3.43 0.00 0.00 0.00 173.10 178.36 3gj2 h ASN 135 N -1.77 0.27 0.00 1.64 2.35 -1.93 1.04 115.58 117.18 3gj2 h ASN 135 Ca -0.46 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3gj2 h ASN 135 Cb 1.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3gj2 h ASN 135 CO 0.45 0.19 0.00 -0.38 -1.65 0.00 0.00 177.43 176.04 3gj2 n ILE 136 N -4.49 0.00 0.30 2.81 -0.00 -1.26 -0.16 119.36 116.56 3gj2 n ILE 136 Ca 0.02 0.47 0.19 0.00 -0.00 0.00 0.00 62.75 63.43 3gj2 n ILE 136 Cb 0.13 -1.25 0.88 0.00 -0.00 0.00 0.00 39.64 39.41 3gj2 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3gj2 h LEU 137 N 0.00 0.00 -0.07 1.39 3.38 -1.77 -1.64 115.31 116.60 3gj2 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj2 h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gj2 h LEU 137 CO 0.00 0.00 -0.17 0.61 0.09 0.00 0.00 178.44 178.97 3gj2 n GLY 138 N -0.58 -1.26 3.39 0.83 0.00 0.36 -4.88 105.19 103.05 3gj2 n GLY 138 Ca -0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 3gj2 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gj2 n HIS 139 N -1.33 -2.29 0.41 1.61 8.25 -0.62 -4.92 115.22 116.33 3gj2 n HIS 139 Ca 0.09 0.79 0.09 0.00 -0.26 0.00 0.00 57.72 58.42 3gj2 n HIS 139 Cb 0.32 -4.12 0.13 0.00 1.12 0.00 0.00 29.99 27.44 3gj2 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gj2 n LYS 140 N -3.59 1.85 -2.94 -0.41 4.01 0.78 -4.96 118.16 112.90 3gj2 n LYS 140 Ca -0.11 -1.80 -0.40 0.00 -0.51 0.00 0.00 58.31 55.49 3gj2 n LYS 140 Cb 0.62 -1.36 -0.06 0.00 -0.51 0.00 0.00 35.03 33.72 3gj2 n LYS 140 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3gj2 s LEU 141 N -1.31 4.58 0.76 -0.35 1.43 -1.25 -2.06 118.68 120.49 3gj2 s LEU 141 Ca 0.25 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 3gj2 s LEU 141 Cb 0.16 -3.35 0.06 0.00 0.03 0.00 0.00 46.19 43.09 3gj2 s LEU 141 CO 0.23 0.17 1.11 -1.61 0.23 0.00 0.00 176.35 176.48 3gj2 s GLU 142 N -0.99 2.18 -1.11 1.70 2.02 -0.43 -4.84 118.70 117.23 3gj2 s GLU 142 Ca 0.37 1.34 -0.12 0.00 0.02 0.00 0.00 54.97 56.58 3gj2 s GLU 142 Cb -0.23 -1.88 0.22 0.00 0.10 0.00 0.00 34.13 32.34 3gj2 s GLU 142 CO 0.27 -1.73 1.21 -0.47 0.02 0.00 0.00 175.26 174.56 3gj2 s TYR 143 N -2.65 3.82 0.12 1.61 5.04 -1.26 -4.86 117.35 119.18 3gj2 s TYR 143 Ca 0.65 -2.29 -0.16 0.00 -2.44 0.00 0.00 57.07 52.83 3gj2 s TYR 143 Cb -0.20 -4.06 0.06 0.00 0.35 0.00 0.00 41.96 38.10 3gj2 s TYR 143 CO 0.52 -1.18 0.75 0.27 -1.34 0.00 0.00 175.55 174.57 3gj2 n ASN 144 N 4.31 -1.22 -3.51 4.32 0.23 -1.26 -4.85 115.26 113.28 3gj2 n ASN 144 Ca 0.28 -1.63 -0.17 0.00 -0.53 0.00 0.00 54.58 52.54 3gj2 n ASN 144 Cb 0.42 1.99 -0.05 0.00 -2.08 0.00 0.00 39.78 40.05 3gj2 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3gj2 s TYR 145 N -3.15 -0.63 0.53 -2.53 5.04 -1.26 -4.88 117.35 110.47 3gj2 s TYR 145 Ca 0.17 1.00 0.02 0.00 -2.44 0.00 0.00 57.07 55.81 3gj2 s TYR 145 Cb -0.02 0.43 0.01 0.00 0.35 0.00 0.00 41.96 42.73 3gj2 s TYR 145 CO 0.04 -0.63 0.11 -0.80 -1.34 0.00 0.00 175.55 172.93 3gj2 s ASN 146 N -1.39 4.28 0.01 4.32 0.01 -1.26 -4.81 114.94 116.10 3gj2 s ASN 146 Ca -0.09 -1.58 -0.19 0.00 -0.71 0.00 0.00 52.86 50.29 3gj2 s ASN 146 Cb -0.00 0.60 -0.06 0.00 0.41 0.00 0.00 41.25 42.20 3gj2 s ASN 146 CO 0.07 -0.97 0.54 -0.94 -1.51 0.00 0.00 177.10 174.29 3gj2 s SER 147 N -4.00 6.95 0.04 -1.22 1.04 -1.26 -4.37 113.70 110.88 3gj2 s SER 147 Ca 0.10 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.67 3gj2 s SER 147 Cb -0.00 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 3gj2 s SER 147 CO 0.06 0.20 -0.04 -1.00 0.98 0.00 0.00 173.24 173.44 3gj2 s HIS 148 N -0.61 0.47 -0.16 5.02 3.76 -0.68 -4.99 115.29 118.09 3gj2 s HIS 148 Ca 0.28 -0.67 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 3gj2 s HIS 148 Cb -0.18 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.16 3gj2 s HIS 148 CO 0.16 -0.20 0.03 -0.80 -0.85 0.00 0.00 174.74 173.09 3gj2 s ASN 149 N -1.94 5.42 -0.39 1.40 0.01 -1.26 -0.37 114.94 117.81 3gj2 s ASN 149 Ca -0.07 0.06 -0.08 0.00 -0.71 0.00 0.00 52.86 52.05 3gj2 s ASN 149 Cb -0.05 -1.87 0.06 0.00 0.41 0.00 0.00 41.25 39.80 3gj2 s ASN 149 CO -0.03 0.21 0.20 -0.69 -1.51 0.00 0.00 177.10 175.28 3gj2 s VAL 150 N 0.16 4.06 -0.25 1.60 1.01 0.18 -4.76 120.40 122.40 3gj2 s VAL 150 Ca 0.03 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.45 3gj2 s VAL 150 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3gj2 s VAL 150 CO 0.01 -0.38 0.91 -0.31 0.00 0.00 0.00 175.10 175.33 3gj2 s TYR 151 N 1.41 3.30 -0.08 5.22 2.02 -1.24 -0.93 117.35 127.05 3gj2 s TYR 151 Ca 0.02 1.22 -0.02 0.00 -0.37 0.00 0.00 57.07 57.91 3gj2 s TYR 151 Cb -0.21 -3.19 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 3gj2 s TYR 151 CO 0.02 -0.47 0.01 0.42 -1.57 0.00 0.00 175.55 173.96 3gj2 s ILE 152 N 3.03 4.37 0.04 2.71 -1.09 0.16 -3.35 121.20 127.07 3gj2 s ILE 152 Ca 0.38 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 3gj2 s ILE 152 Cb -0.15 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3gj2 s ILE 152 CO 0.08 0.59 -0.04 0.42 -1.23 0.00 0.00 174.94 174.76 3gj2 s THR 153 N -0.90 0.28 0.45 2.92 -4.23 0.60 -2.53 115.64 112.23 3gj2 s THR 153 Ca 0.14 -1.27 -0.24 0.00 -1.18 0.00 0.00 61.69 59.14 3gj2 s THR 153 Cb -0.11 -0.78 -0.08 0.00 1.34 0.00 0.00 72.50 72.87 3gj2 s THR 153 CO 0.03 -0.64 1.18 0.00 -0.54 0.00 0.00 174.62 174.65 3gj2 s ALA 154 N -2.28 3.02 -0.64 3.99 0.00 -1.26 -1.17 121.76 123.43 3gj2 s ALA 154 Ca -0.06 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.93 3gj2 s ALA 154 Cb -0.04 -3.40 0.19 0.00 0.00 0.00 0.00 23.12 19.88 3gj2 s ALA 154 CO -0.03 -0.67 0.54 -3.47 0.00 0.00 0.00 175.76 172.13 3gj2 n ASP 155 N -0.36 2.65 -0.28 0.00 2.03 -0.09 -4.76 116.55 115.75 3gj2 n ASP 155 Ca 0.07 -3.15 0.23 0.00 0.52 0.00 0.00 54.79 52.46 3gj2 n ASP 155 Cb 0.47 -0.71 0.55 0.00 -0.72 0.00 0.00 41.12 40.72 3gj2 n ASP 155 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3gj2 h LYS 156 N 5.04 0.31 -0.05 -0.67 6.56 -1.95 -1.76 116.57 124.06 3gj2 h LYS 156 Ca 0.17 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3gj2 h LYS 156 Cb 0.75 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 3gj2 h LYS 156 CO 0.69 0.21 0.02 -0.56 -2.06 0.00 0.00 179.45 177.75 3gj2 h GLN 157 N 0.32 0.07 0.00 3.15 -0.00 -1.94 -2.43 115.11 114.29 3gj2 h GLN 157 Ca 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.16 3gj2 h GLN 157 Cb 1.47 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.94 3gj2 h GLN 157 CO -0.20 0.25 0.00 1.63 -0.00 0.00 0.00 178.83 180.51 3gj2 n LYS 158 N -4.95 0.36 -2.09 0.06 4.01 -1.04 -4.91 118.16 109.61 3gj2 n LYS 158 Ca -0.07 0.02 -0.13 0.00 -0.51 0.00 0.00 58.31 57.62 3gj2 n LYS 158 Cb 0.12 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.13 3gj2 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3gj2 n ASN 159 N -1.30 -4.17 0.00 4.39 5.15 -0.72 -4.67 115.26 113.93 3gj2 n ASN 159 Ca 0.13 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 3gj2 n ASN 159 Cb 0.23 -3.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.22 3gj2 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gj2 n GLY 160 N -1.08 5.35 3.16 8.20 0.00 -0.83 -4.46 105.19 115.54 3gj2 n GLY 160 Ca -0.15 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 3gj2 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gj2 s ILE 161 N 1.52 0.17 0.07 -0.61 -4.36 -0.48 -0.91 121.20 116.60 3gj2 s ILE 161 Ca 0.00 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3gj2 s ILE 161 Cb 0.00 -2.07 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 3gj2 s ILE 161 CO 0.00 -0.45 -0.10 -0.54 0.24 0.00 0.00 174.94 174.09 3gj2 s LYS 162 N -4.03 0.72 0.03 0.37 3.01 -0.31 -1.31 119.74 118.20 3gj2 s LYS 162 Ca 0.25 -0.95 -0.09 0.00 -1.01 0.00 0.00 55.97 54.17 3gj2 s LYS 162 Cb 0.07 -0.53 0.00 0.00 -1.01 0.00 0.00 37.83 36.37 3gj2 s LYS 162 CO 0.02 0.10 0.18 0.00 0.51 0.00 0.00 175.35 176.16 3gj2 s ALA 163 N -1.71 -0.35 -0.00 5.17 0.00 -0.71 -0.29 121.76 123.87 3gj2 s ALA 163 Ca -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 3gj2 s ALA 163 Cb -0.08 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3gj2 s ALA 163 CO 0.01 -0.31 0.14 0.54 0.00 0.00 0.00 175.76 176.14 3gj2 s ASN 164 N -1.84 0.00 0.15 0.00 6.03 -1.21 0.20 114.94 118.27 3gj2 s ASN 164 Ca -0.08 -0.15 -0.25 0.00 -1.03 0.00 0.00 52.86 51.35 3gj2 s ASN 164 Cb -0.03 0.22 0.06 0.00 -3.03 0.00 0.00 41.25 38.47 3gj2 s ASN 164 CO -0.02 -0.34 0.96 0.72 -2.03 0.00 0.00 177.10 176.39 3gj2 s PHE 165 N -1.23 -0.13 -0.08 1.54 -0.12 -0.62 -3.61 117.98 113.72 3gj2 s PHE 165 Ca -0.13 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3gj2 s PHE 165 Cb -0.07 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.98 3gj2 s PHE 165 CO 0.01 -0.83 -0.10 0.21 -0.05 0.00 0.00 175.22 174.47 3gj2 s LYS 166 N -3.28 1.56 -0.05 1.99 2.47 -1.26 0.13 119.74 121.29 3gj2 s LYS 166 Ca 0.12 -0.32 -0.22 0.00 -1.56 0.00 0.00 55.97 53.99 3gj2 s LYS 166 Cb -0.01 -1.44 -0.04 0.00 -1.46 0.00 0.00 37.83 34.87 3gj2 s LYS 166 CO 0.02 -0.11 0.64 0.42 0.16 0.00 0.00 175.35 176.48 3gj2 s ILE 167 N 1.14 5.02 -0.47 5.43 -1.09 0.18 -4.88 121.20 126.53 3gj2 s ILE 167 Ca -0.06 1.33 -0.21 0.00 -2.23 0.00 0.00 60.65 59.48 3gj2 s ILE 167 Cb -0.14 -3.98 0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3gj2 s ILE 167 CO -0.02 0.31 0.69 -0.13 -1.23 0.00 0.00 174.94 174.57 3gj2 s ARG 168 N 0.48 3.25 -0.53 2.79 0.52 -1.26 -1.08 118.95 123.13 3gj2 s ARG 168 Ca 0.34 -0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 54.89 3gj2 s ARG 168 Cb -0.18 -4.00 0.07 0.00 0.52 0.00 0.00 34.95 31.36 3gj2 s ARG 168 CO 0.17 -1.15 0.63 -1.01 0.02 0.00 0.00 175.30 173.97 3gj2 s HIS 169 N 2.98 3.05 0.20 -0.53 3.76 -0.64 -4.52 115.29 119.59 3gj2 s HIS 169 Ca 0.22 -0.67 -0.32 0.00 -0.15 0.00 0.00 55.06 54.15 3gj2 s HIS 169 Cb -0.15 -3.64 -0.11 0.00 1.11 0.00 0.00 32.58 29.79 3gj2 s HIS 169 CO 0.17 -1.09 1.66 -0.80 -0.85 0.00 0.00 174.74 173.84 3gj2 s ASN 170 N 2.93 6.44 0.05 1.40 0.02 -1.26 -0.47 114.94 124.05 3gj2 s ASN 170 Ca 0.14 2.80 -0.00 0.00 -1.02 0.00 0.00 52.86 54.77 3gj2 s ASN 170 Cb -0.21 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.42 3gj2 s ASN 170 CO 0.10 -0.92 0.20 -0.63 0.02 0.00 0.00 177.10 175.87 3gj2 s ILE 171 N 1.04 5.33 0.56 0.60 1.09 -0.18 -1.31 121.20 128.33 3gj2 s ILE 171 Ca 0.72 -0.39 0.30 0.00 -1.10 0.00 0.00 60.65 60.19 3gj2 s ILE 171 Cb -0.48 -3.59 0.44 0.00 -1.06 0.00 0.00 42.46 37.77 3gj2 s ILE 171 CO 0.33 0.16 1.87 1.05 -0.10 0.00 0.00 174.94 178.26 3gj2 h GLU 172 N 3.19 0.00 0.00 2.79 4.11 -1.70 -1.16 114.58 121.81 3gj2 h GLU 172 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3gj2 h GLU 172 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3gj2 h GLU 172 CO 0.74 0.00 -0.93 -0.40 0.07 0.00 0.00 179.01 178.49 3gj2 n ASP 173 N -3.99 0.64 0.00 3.06 5.68 -1.26 -4.98 116.55 115.70 3gj2 n ASP 173 Ca 0.14 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 3gj2 n ASP 173 Cb 0.85 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 41.56 3gj2 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gj2 n GLY 174 N 1.41 2.08 3.69 6.12 0.00 -0.44 -5.10 105.19 112.95 3gj2 n GLY 174 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3gj2 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gj2 s SER 175 N -1.85 1.23 0.00 1.61 1.04 -1.26 -4.86 113.70 109.61 3gj2 s SER 175 Ca 0.00 0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.81 3gj2 s SER 175 Cb 0.00 -0.44 -0.00 0.00 0.10 0.00 0.00 66.02 65.67 3gj2 s SER 175 CO 0.00 -3.91 -0.03 -0.69 0.98 0.00 0.00 173.24 169.60 3gj2 s VAL 176 N -3.33 0.20 -0.27 5.02 1.01 -1.26 -1.01 120.40 120.76 3gj2 s VAL 176 Ca 0.74 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 3gj2 s VAL 176 Cb -0.06 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.15 3gj2 s VAL 176 CO 0.55 -0.03 -0.00 -1.58 0.00 0.00 0.00 175.10 174.04 3gj2 s GLN 177 N -0.28 2.92 0.01 2.72 2.00 0.38 -4.91 119.66 122.50 3gj2 s GLN 177 Ca -0.01 -0.94 -0.19 0.00 -2.00 0.00 0.00 55.36 52.21 3gj2 s GLN 177 Cb -0.02 -3.15 -0.06 0.00 0.80 0.00 0.00 33.01 30.59 3gj2 s GLN 177 CO -0.00 -0.43 0.56 -0.51 -0.50 0.00 0.00 175.29 174.41 3gj2 s LEU 178 N 1.39 4.44 -0.23 3.68 1.43 -1.26 -1.62 118.68 126.51 3gj2 s LEU 178 Ca 0.01 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 3gj2 s LEU 178 Cb -0.17 -2.86 0.06 0.00 0.03 0.00 0.00 46.19 43.25 3gj2 s LEU 178 CO -0.02 0.16 -0.05 0.00 0.23 0.00 0.00 176.35 176.67 3gj2 s ALA 179 N -0.44 1.91 -0.19 4.21 0.00 -0.24 -1.15 121.76 125.86 3gj2 s ALA 179 Ca 0.29 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 3gj2 s ALA 179 Cb -0.18 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3gj2 s ALA 179 CO 0.17 -1.15 0.60 0.34 0.00 0.00 0.00 175.76 175.72 3gj2 s ASP 180 N 1.42 6.67 -0.21 0.00 2.15 -0.43 0.51 116.67 126.77 3gj2 s ASP 180 Ca -0.05 0.81 -0.07 0.00 0.43 0.00 0.00 52.55 53.67 3gj2 s ASP 180 Cb -0.18 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 3gj2 s ASP 180 CO -0.06 -0.24 0.05 -1.00 -0.17 0.00 0.00 175.17 173.75 3gj2 s HIS 181 N 1.78 3.14 -0.17 -5.34 3.76 0.34 -1.87 115.29 116.93 3gj2 s HIS 181 Ca 0.28 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3gj2 s HIS 181 Cb -0.16 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3gj2 s HIS 181 CO 0.10 -0.12 -0.07 1.52 -0.85 0.00 0.00 174.74 175.33 3gj2 s TYR 182 N 0.96 2.93 -0.00 1.40 1.13 -0.53 -1.58 117.35 121.66 3gj2 s TYR 182 Ca 0.03 -0.65 0.04 0.00 -1.41 0.00 0.00 57.07 55.09 3gj2 s TYR 182 Cb -0.14 -1.98 -0.01 0.00 -1.10 0.00 0.00 41.96 38.73 3gj2 s TYR 182 CO 0.03 -0.29 -0.14 -1.14 -2.51 0.00 0.00 175.55 171.50 3gj2 s GLN 183 N 0.78 1.07 0.01 -3.49 0.74 0.13 -1.39 119.66 117.52 3gj2 s GLN 183 Ca -0.03 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.86 3gj2 s GLN 183 Cb -0.15 -1.04 -0.01 0.00 1.10 0.00 0.00 33.01 32.91 3gj2 s GLN 183 CO 0.02 0.28 -0.05 1.14 -0.55 0.00 0.00 175.29 176.13 3gj2 s GLN 184 N -0.46 0.39 -0.08 1.67 -2.07 0.62 -1.74 119.66 117.99 3gj2 s GLN 184 Ca 0.05 -0.40 0.02 0.00 -1.82 0.00 0.00 55.36 53.21 3gj2 s GLN 184 Cb -0.06 -0.26 0.01 0.00 -1.09 0.00 0.00 33.01 31.61 3gj2 s GLN 184 CO -0.00 0.06 -0.14 -0.80 -1.32 0.00 0.00 175.29 173.09 3gj2 s ASN 185 N -0.74 2.09 -0.06 12.60 -0.87 -0.43 0.16 114.94 127.68 3gj2 s ASN 185 Ca -0.04 -0.35 0.01 0.00 -1.57 0.00 0.00 52.86 50.91 3gj2 s ASN 185 Cb -0.05 -0.94 0.02 0.00 -0.02 0.00 0.00 41.25 40.25 3gj2 s ASN 185 CO -0.00 0.03 -0.08 -0.89 -2.57 0.00 0.00 177.10 173.59 3gj2 s THR 186 N 0.79 0.87 0.46 1.60 2.01 -0.82 -1.38 115.64 119.17 3gj2 s THR 186 Ca -0.12 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 3gj2 s THR 186 Cb -0.16 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 3gj2 s THR 186 CO 0.02 0.30 1.28 -2.16 -0.69 0.00 0.00 174.62 173.38 3gj2 s PRO 187 N 0.93 3.69 0.05 4.92 0.04 -1.26 -0.44 135.00 142.92 3gj2 s PRO 187 Ca -0.10 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.04 3gj2 s PRO 187 Cb -0.15 -2.53 -0.25 0.00 0.04 0.00 0.00 34.50 31.62 3gj2 s PRO 187 CO 0.01 -0.70 1.02 0.82 0.04 0.00 0.00 177.00 178.19 3gj2 h ILE 188 N 2.03 1.36 -4.38 0.56 2.04 -0.87 -3.45 117.51 114.79 3gj2 h ILE 188 Ca -0.50 -3.04 -0.47 0.00 1.00 0.00 0.00 64.86 61.84 3gj2 h ILE 188 Cb 1.26 2.77 0.09 0.00 -0.74 0.00 0.00 36.82 40.20 3gj2 h ILE 188 CO 0.60 0.83 0.37 -0.83 0.00 0.00 0.00 178.15 179.13 3gj2 s GLY 189 N -4.85 1.62 0.27 5.37 0.00 -1.26 -4.99 107.32 103.48 3gj2 s GLY 189 Ca -0.04 -0.61 0.13 0.00 0.00 0.00 0.00 44.72 44.20 3gj2 s GLY 189 CO 0.84 -0.18 1.55 -0.55 0.00 0.00 0.00 173.10 174.76 3gj2 h ASP 190 N -0.82 0.00 -3.62 1.64 3.32 -1.99 -3.48 116.42 111.48 3gj2 h ASP 190 Ca -0.45 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.03 3gj2 h ASP 190 Cb 1.30 0.00 0.16 0.00 0.22 0.00 0.00 39.33 41.02 3gj2 h ASP 190 CO 0.64 0.60 0.14 0.61 -1.72 0.00 0.00 179.24 179.52 3gj2 n GLY 191 N 0.63 -0.28 3.76 2.75 0.00 -1.26 -4.98 105.19 105.81 3gj2 n GLY 191 Ca -0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3gj2 n GLY 191 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gj2 s PRO 192 N -2.81 2.92 0.30 1.61 0.02 -1.26 -5.05 135.00 130.72 3gj2 s PRO 192 Ca 0.77 1.62 0.04 0.00 0.02 0.00 0.00 61.00 63.44 3gj2 s PRO 192 Cb -0.41 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 3gj2 s PRO 192 CO 0.46 -1.20 0.04 0.14 -0.33 0.00 0.00 177.00 176.11 3gj2 s VAL 193 N -1.94 1.13 -0.31 3.83 -7.23 -1.26 -4.90 120.40 109.73 3gj2 s VAL 193 Ca 0.72 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 58.59 3gj2 s VAL 193 Cb -0.25 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.03 3gj2 s VAL 193 CO 0.36 -0.08 1.03 -0.76 -0.31 0.00 0.00 175.10 175.33 3gj2 s LEU 194 N -3.43 3.97 -0.26 1.32 1.43 -1.26 -5.02 118.68 115.43 3gj2 s LEU 194 Ca 0.35 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 3gj2 s LEU 194 Cb 0.08 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 3gj2 s LEU 194 CO 0.14 -0.82 0.17 -0.76 0.23 0.00 0.00 176.35 175.31 3gj2 s LEU 195 N 3.51 4.07 0.56 1.79 1.43 -1.26 -3.99 118.68 124.79 3gj2 s LEU 195 Ca 0.43 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3gj2 s LEU 195 Cb -0.13 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.01 3gj2 s LEU 195 CO 0.14 0.02 0.82 -2.16 0.23 0.00 0.00 176.35 175.40 3gj2 s PRO 196 N 1.34 2.71 0.60 1.29 0.04 -1.26 -4.88 135.00 134.83 3gj2 s PRO 196 Ca 0.07 -0.42 -0.14 0.00 0.04 0.00 0.00 61.00 60.56 3gj2 s PRO 196 Cb -0.15 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 3gj2 s PRO 196 CO 0.07 -0.69 1.03 -0.51 0.04 0.00 0.00 177.00 176.94 3gj2 s ASP 197 N -4.36 6.05 0.15 6.66 1.01 -1.26 -4.00 116.67 120.92 3gj2 s ASP 197 Ca 0.55 1.62 -0.33 0.00 0.71 0.00 0.00 52.55 55.10 3gj2 s ASP 197 Cb -0.10 -2.51 -0.17 0.00 1.01 0.00 0.00 42.92 41.15 3gj2 s ASP 197 CO 0.41 -0.99 0.90 0.59 0.21 0.00 0.00 175.17 176.29 3gj2 n ASN 198 N -2.27 0.06 -2.07 0.27 3.02 -1.26 -4.85 115.26 108.16 3gj2 n ASN 198 Ca 0.07 1.15 -0.02 0.00 -0.03 0.00 0.00 54.58 55.74 3gj2 n ASN 198 Cb 0.54 -1.05 0.01 0.00 -0.61 0.00 0.00 39.78 38.67 3gj2 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gj2 n HIS 199 N 0.87 -1.16 -4.15 3.10 1.44 -1.05 -4.83 115.22 109.44 3gj2 n HIS 199 Ca 0.17 -0.71 -0.09 0.00 -2.01 0.00 0.00 57.72 55.08 3gj2 n HIS 199 Cb 0.21 0.35 -0.10 0.00 0.12 0.00 0.00 29.99 30.57 3gj2 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3gj2 s TYR 200 N -4.51 0.78 -0.23 -1.40 -0.85 -0.83 0.38 117.35 110.70 3gj2 s TYR 200 Ca 0.10 -0.97 -0.07 0.00 -0.52 0.00 0.00 57.07 55.61 3gj2 s TYR 200 Cb -0.02 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.81 3gj2 s TYR 200 CO 0.04 -0.22 0.07 -0.51 -1.52 0.00 0.00 175.55 173.40 3gj2 s LEU 201 N -3.01 3.60 -0.40 -3.49 1.43 -0.10 -0.32 118.68 116.39 3gj2 s LEU 201 Ca 0.11 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.85 3gj2 s LEU 201 Cb 0.06 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3gj2 s LEU 201 CO -0.06 0.04 0.95 -0.55 0.23 0.00 0.00 176.35 176.96 3gj2 s SER 202 N 1.16 6.65 0.00 2.29 0.15 -0.05 -0.64 113.70 123.26 3gj2 s SER 202 Ca 0.05 0.49 -0.00 0.00 0.70 0.00 0.00 55.95 57.18 3gj2 s SER 202 Cb -0.14 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3gj2 s SER 202 CO 0.03 -0.94 0.10 -1.00 1.20 0.00 0.00 173.24 172.64 3gj2 s HIS 203 N 3.64 3.33 -0.00 3.44 3.76 0.50 -2.13 115.29 127.81 3gj2 s HIS 203 Ca 0.39 0.22 -0.00 0.00 -0.15 0.00 0.00 55.06 55.52 3gj2 s HIS 203 Cb -0.11 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3gj2 s HIS 203 CO 0.21 0.57 0.01 -0.65 -0.85 0.00 0.00 174.74 174.03 3gj2 s GLN 204 N -1.85 0.01 0.05 1.40 -0.21 0.17 -1.68 119.66 117.56 3gj2 s GLN 204 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.63 3gj2 s GLN 204 Cb -0.12 0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.86 3gj2 s GLN 204 CO 0.16 -0.00 -0.04 -1.12 -2.12 0.00 0.00 175.29 172.16 3gj2 s SER 205 N -0.01 0.61 -0.13 5.90 0.01 -1.26 -1.44 113.70 117.37 3gj2 s SER 205 Ca -0.00 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 3gj2 s SER 205 Cb -0.00 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.41 3gj2 s SER 205 CO 0.00 -0.44 0.31 0.00 0.41 0.00 0.00 173.24 173.52 3gj2 s ALA 206 N -2.88 -0.75 -0.08 1.44 0.00 0.48 -4.65 121.76 115.32 3gj2 s ALA 206 Ca -0.00 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.14 3gj2 s ALA 206 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3gj2 s ALA 206 CO -0.05 -0.22 -0.06 -0.51 0.00 0.00 0.00 175.76 174.92 3gj2 s LEU 207 N 1.25 3.22 0.00 0.00 1.43 -1.26 -1.60 118.68 121.72 3gj2 s LEU 207 Ca -0.09 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3gj2 s LEU 207 Cb -0.09 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3gj2 s LEU 207 CO -0.10 0.34 0.34 -1.54 0.23 0.00 0.00 176.35 175.62 3gj2 n SER 208 N 2.40 -0.94 -4.22 2.29 3.41 0.12 -4.87 113.62 111.81 3gj2 n SER 208 Ca -0.18 -2.18 -0.16 0.00 -0.26 0.00 0.00 58.87 56.09 3gj2 n SER 208 Cb 0.53 1.72 -0.11 0.00 -0.26 0.00 0.00 64.21 66.09 3gj2 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gj2 s LYS 209 N -2.45 0.98 -0.38 4.33 -0.14 -1.26 -1.65 119.74 119.17 3gj2 s LYS 209 Ca 0.17 -1.26 -0.14 0.00 -1.36 0.00 0.00 55.97 53.39 3gj2 s LYS 209 Cb -0.01 -0.73 0.00 0.00 -1.68 0.00 0.00 37.83 35.41 3gj2 s LYS 209 CO 0.13 0.12 0.27 0.34 -0.76 0.00 0.00 175.35 175.45 3gj2 s ASP 210 N -2.60 6.07 0.63 2.83 2.15 -1.26 -4.94 116.67 119.55 3gj2 s ASP 210 Ca 0.09 -0.68 0.40 0.00 0.43 0.00 0.00 52.55 52.79 3gj2 s ASP 210 Cb -0.03 -2.14 2.12 0.00 -0.30 0.00 0.00 42.92 42.56 3gj2 s ASP 210 CO 0.02 -0.35 2.27 1.55 -0.17 0.00 0.00 175.17 178.49 3gj2 h PRO 211 N 8.56 0.00 -0.00 4.34 0.13 -2.03 -1.25 132.00 141.75 3gj2 h PRO 211 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3gj2 h PRO 211 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gj2 h PRO 211 CO 0.68 0.01 -0.23 0.09 -0.23 0.00 0.00 178.00 178.32 3gj2 n ASN 212 N -3.18 0.70 -4.72 1.44 5.03 -1.26 -4.92 115.26 108.35 3gj2 n ASN 212 Ca -0.02 -0.61 -0.37 0.00 0.87 0.00 0.00 54.58 54.44 3gj2 n ASN 212 Cb 0.13 0.05 -0.07 0.00 -1.02 0.00 0.00 39.78 38.87 3gj2 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3gj2 s GLU 213 N -2.59 4.29 -0.00 3.52 2.56 -0.47 -4.97 118.70 121.03 3gj2 s GLU 213 Ca 0.23 0.26 0.15 0.00 0.00 0.00 0.00 54.97 55.62 3gj2 s GLU 213 Cb 0.19 -3.44 -0.17 0.00 2.00 0.00 0.00 34.13 32.71 3gj2 s GLU 213 CO 0.53 0.18 0.61 1.63 -0.56 0.00 0.00 175.26 177.65 3gj2 n LYS 214 N 3.68 1.83 -1.81 4.30 5.02 -1.26 -4.90 118.16 125.03 3gj2 n LYS 214 Ca -0.09 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 3gj2 n LYS 214 Cb 0.52 -1.23 0.05 0.00 -0.02 0.00 0.00 35.03 34.34 3gj2 n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3gj2 s ARG 215 N -2.50 2.88 -0.08 1.97 0.52 -1.26 -5.00 118.95 115.48 3gj2 s ARG 215 Ca 0.04 0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 55.53 3gj2 s ARG 215 Cb 0.11 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 3gj2 s ARG 215 CO 0.62 -1.05 1.36 0.34 0.02 0.00 0.00 175.30 176.60 3gj2 s ASP 216 N -4.22 6.89 0.20 0.23 2.15 -1.26 -4.98 116.67 115.68 3gj2 s ASP 216 Ca 0.58 1.92 -0.15 0.00 0.43 0.00 0.00 52.55 55.33 3gj2 s ASP 216 Cb -0.12 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.97 3gj2 s ASP 216 CO 0.53 -0.75 0.47 -1.38 -0.17 0.00 0.00 175.17 173.87 3gj2 s HIS 217 N 3.09 0.05 -0.03 -5.34 -3.43 -1.26 -1.89 115.29 106.48 3gj2 s HIS 217 Ca 0.61 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 3gj2 s HIS 217 Cb -0.27 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.19 3gj2 s HIS 217 CO 0.22 -0.90 0.01 1.41 -2.00 0.00 0.00 174.74 173.48 3gj2 s MET 218 N -3.91 0.23 -0.20 -0.38 1.75 -0.28 -4.94 119.30 111.57 3gj2 s MET 218 Ca 0.13 0.12 -0.15 0.00 -1.25 0.00 0.00 55.69 54.53 3gj2 s MET 218 Cb -0.00 -0.47 -0.04 0.00 2.84 0.00 0.00 34.83 37.15 3gj2 s MET 218 CO -0.00 -0.16 0.38 0.08 -0.65 0.00 0.00 175.02 174.66 3gj2 s VAL 219 N 1.17 5.22 -0.11 10.11 1.01 -0.66 -0.36 120.40 136.79 3gj2 s VAL 219 Ca -0.08 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3gj2 s VAL 219 Cb -0.13 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3gj2 s VAL 219 CO -0.02 0.27 -0.17 -0.22 0.00 0.00 0.00 175.10 174.96 3gj2 s LEU 220 N 1.18 1.84 -0.07 3.92 2.96 -0.18 -0.70 118.68 127.63 3gj2 s LEU 220 Ca 0.18 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3gj2 s LEU 220 Cb -0.14 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 3gj2 s LEU 220 CO 0.07 0.05 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.74 3gj2 s LEU 221 N 0.83 2.40 0.02 -0.68 2.96 -0.63 -1.04 118.68 122.53 3gj2 s LEU 221 Ca -0.09 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3gj2 s LEU 221 Cb -0.16 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3gj2 s LEU 221 CO 0.00 0.26 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.64 3gj2 s GLU 222 N -0.22 0.32 -0.04 1.98 8.01 -0.89 -0.39 118.70 127.48 3gj2 s GLU 222 Ca -0.01 -0.42 0.01 0.00 0.01 0.00 0.00 54.97 54.57 3gj2 s GLU 222 Cb -0.13 -0.14 0.02 0.00 -4.31 0.00 0.00 34.13 29.57 3gj2 s GLU 222 CO 0.03 0.02 -0.06 -0.06 0.01 0.00 0.00 175.26 175.20 3gj2 s PHE 223 N -0.81 0.84 -0.11 1.61 0.08 -0.52 -0.93 117.98 118.13 3gj2 s PHE 223 Ca -0.07 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 3gj2 s PHE 223 Cb -0.06 -0.69 0.05 0.00 -0.57 0.00 0.00 43.02 41.75 3gj2 s PHE 223 CO -0.00 -0.18 0.14 0.08 -0.10 0.00 0.00 175.22 175.17 3gj2 s VAL 224 N 0.72 -0.22 -0.05 -0.44 1.01 -0.18 -0.65 120.40 120.59 3gj2 s VAL 224 Ca -0.10 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3gj2 s VAL 224 Cb -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3gj2 s VAL 224 CO 0.01 0.03 -0.20 -0.89 0.00 0.00 0.00 175.10 174.05 3gj2 s THR 225 N 2.26 1.67 0.55 3.92 2.01 -0.91 -1.22 115.64 123.91 3gj2 s THR 225 Ca 0.04 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 3gj2 s THR 225 Cb -0.13 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 3gj2 s THR 225 CO -0.07 0.47 1.05 0.00 -0.69 0.00 0.00 174.62 175.39 3gj2 s ALA 226 N -0.06 2.79 0.25 7.40 0.00 0.06 -0.87 121.76 131.34 3gj2 s ALA 226 Ca -0.03 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 3gj2 s ALA 226 Cb -0.12 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3gj2 s ALA 226 CO 0.03 -0.61 0.65 0.00 0.00 0.00 0.00 175.76 175.82 3gj2 n ALA 227 N -1.60 -1.54 -0.52 0.00 0.00 0.56 -4.62 120.51 112.78 3gj2 n ALA 227 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3gj2 n ALA 227 Cb 0.53 0.66 0.00 0.00 0.00 0.00 0.00 19.45 20.63 3gj2 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj2 n GLY 228 N -0.44 0.71 0.00 0.00 0.00 -1.26 -1.97 105.19 102.23 3gj2 n GLY 228 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3gj2 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71