#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj3 s PRO 7 N 0.00 4.31 0.17 3.49 0.02 -1.26 -5.00 135.00 136.73 3gj3 s PRO 7 Ca 0.00 2.03 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 3gj3 s PRO 7 Cb 0.00 -3.39 -0.07 0.00 0.02 0.00 0.00 34.50 31.06 3gj3 s PRO 7 CO 0.00 -0.49 0.98 -1.14 -0.33 0.00 0.00 177.00 176.02 3gj3 s GLN 8 N 1.64 4.73 -0.36 5.54 0.74 -1.26 -5.01 119.66 125.68 3gj3 s GLN 8 Ca 0.64 1.51 -0.22 0.00 0.05 0.00 0.00 55.36 57.35 3gj3 s GLN 8 Cb -0.35 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.44 3gj3 s GLN 8 CO 0.29 0.29 0.70 0.08 -0.55 0.00 0.00 175.29 176.10 3gj3 s VAL 9 N -0.45 4.82 0.03 1.34 1.01 -1.26 -5.03 120.40 120.87 3gj3 s VAL 9 Ca 0.45 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 3gj3 s VAL 9 Cb -0.25 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.99 3gj3 s VAL 9 CO 0.32 -0.37 0.20 0.00 0.00 0.00 0.00 175.10 175.24 3gj3 s GLN 10 N 2.88 0.68 -0.01 2.72 -2.07 -1.26 -1.20 119.66 121.40 3gj3 s GLN 10 Ca 0.27 -0.59 0.01 0.00 -1.82 0.00 0.00 55.36 53.23 3gj3 s GLN 10 Cb -0.14 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 3gj3 s GLN 10 CO 0.16 -0.19 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.85 3gj3 s PHE 11 N -2.42 0.25 -0.15 9.60 0.08 -0.09 -4.96 117.98 120.29 3gj3 s PHE 11 Ca -0.06 -0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.66 3gj3 s PHE 11 Cb -0.02 -0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.23 3gj3 s PHE 11 CO -0.03 -0.02 1.09 0.21 -0.10 0.00 0.00 175.22 176.37 3gj3 s LYS 12 N 0.10 4.33 -0.18 0.44 2.20 -1.26 0.11 119.74 125.48 3gj3 s LYS 12 Ca -0.01 1.47 -0.01 0.00 -0.36 0.00 0.00 55.97 57.07 3gj3 s LYS 12 Cb -0.03 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3gj3 s LYS 12 CO -0.00 -0.50 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.18 3gj3 s LEU 13 N 2.67 2.52 -0.11 5.43 0.20 -0.07 -0.59 118.68 128.74 3gj3 s LEU 13 Ca 0.49 -0.48 -0.12 0.00 0.69 0.00 0.00 54.13 54.71 3gj3 s LEU 13 Cb -0.19 -1.59 -0.05 0.00 -0.43 0.00 0.00 46.19 43.93 3gj3 s LEU 13 CO 0.14 0.04 0.28 0.68 -0.29 0.00 0.00 176.35 177.20 3gj3 s VAL 14 N 1.07 5.29 -0.31 1.68 -7.23 -0.72 -0.45 120.40 119.73 3gj3 s VAL 14 Ca -0.00 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 60.67 3gj3 s VAL 14 Cb -0.15 -3.59 0.06 0.00 0.56 0.00 0.00 36.38 33.26 3gj3 s VAL 14 CO -0.04 0.50 0.03 -0.22 -0.31 0.00 0.00 175.10 175.06 3gj3 s LEU 15 N -0.34 4.08 0.33 1.32 2.96 -1.12 -1.14 118.68 124.77 3gj3 s LEU 15 Ca 0.18 -1.36 0.04 0.00 -0.22 0.00 0.00 54.13 52.77 3gj3 s LEU 15 Cb -0.14 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 3gj3 s LEU 15 CO 0.06 -0.29 0.06 0.68 -1.32 0.00 0.00 176.35 175.54 3gj3 s VAL 16 N 1.24 1.14 0.00 1.68 -7.23 -0.25 -4.62 120.40 112.35 3gj3 s VAL 16 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3gj3 s VAL 16 Cb -0.20 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3gj3 s VAL 16 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 3gj3 n GLY 17 N -0.71 3.75 3.65 2.32 0.00 -1.26 -0.14 105.19 112.80 3gj3 n GLY 17 Ca -0.03 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3gj3 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj3 n ASP 18 N 0.00 0.84 -4.75 1.61 9.92 -1.26 -4.92 116.55 118.00 3gj3 n ASP 18 Ca 0.00 0.66 -0.38 0.00 -0.53 0.00 0.00 54.79 54.54 3gj3 n ASP 18 Cb 0.00 -1.46 0.05 0.00 -0.64 0.00 0.00 41.12 39.07 3gj3 n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3gj3 s GLY 19 N -1.74 2.88 0.00 0.44 0.00 -1.26 -2.67 107.32 104.98 3gj3 s GLY 19 Ca 0.75 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.78 3gj3 s GLY 19 CO 0.49 1.81 0.00 0.61 0.00 0.00 0.00 173.10 176.01 3gj3 n GLY 20 N 0.75 0.99 0.15 0.20 0.00 -1.26 -4.90 105.19 101.12 3gj3 n GLY 20 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3gj3 n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gj3 h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.86 -3.47 112.91 111.53 3gj3 h THR 21 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3gj3 h THR 21 Cb 0.00 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3gj3 h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gj3 n GLY 22 N 1.11 1.50 0.08 5.82 0.00 -1.26 -4.56 105.19 107.88 3gj3 n GLY 22 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3gj3 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gj3 h LYS 23 N 0.00 0.17 -0.39 1.61 1.57 -1.91 0.71 116.57 118.32 3gj3 h LYS 23 Ca 0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3gj3 h LYS 23 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3gj3 h LYS 23 CO 0.00 0.18 0.03 1.15 -0.57 0.00 0.00 179.45 180.24 3gj3 h THR 24 N 0.11 1.25 -0.68 -0.16 2.02 -1.96 -0.80 112.91 112.69 3gj3 h THR 24 Ca 0.04 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.34 3gj3 h THR 24 Cb 0.06 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3gj3 h THR 24 CO -0.01 0.32 0.39 0.74 0.37 0.00 0.00 175.52 177.33 3gj3 h THR 25 N 0.51 0.99 0.62 3.16 2.02 -1.94 -1.67 112.91 116.59 3gj3 h THR 25 Ca 0.11 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3gj3 h THR 25 Cb 0.42 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3gj3 h THR 25 CO 0.01 0.13 -0.30 0.15 0.37 0.00 0.00 175.52 175.89 3gj3 h PHE 26 N 0.73 -0.77 -0.32 3.16 3.57 -0.48 -3.08 116.94 119.75 3gj3 h PHE 26 Ca 0.30 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3gj3 h PHE 26 Cb 0.16 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3gj3 h PHE 26 CO -0.07 -0.47 0.10 -0.24 -2.23 0.00 0.00 178.31 175.41 3gj3 h VAL 27 N -0.87 1.14 0.00 1.41 3.04 -0.95 -2.07 116.25 117.95 3gj3 h VAL 27 Ca -0.09 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3gj3 h VAL 27 Cb 0.65 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3gj3 h VAL 27 CO 0.14 0.18 0.00 0.29 -1.01 0.00 0.00 177.57 177.17 3gj3 n LYS 28 N -4.38 0.09 0.17 4.17 5.02 -0.65 -2.77 118.16 119.81 3gj3 n LYS 28 Ca 0.02 0.36 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 3gj3 n LYS 28 Cb 0.16 -1.68 0.56 0.00 -0.02 0.00 0.00 35.03 34.05 3gj3 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gj3 h ARG 29 N 0.00 0.19 -6.45 1.97 2.47 -1.31 -3.39 114.38 107.86 3gj3 h ARG 29 Ca 0.00 -0.01 -0.57 0.00 -1.26 0.00 0.00 59.98 58.14 3gj3 h ARG 29 Cb 0.26 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.46 3gj3 h ARG 29 CO 0.00 0.13 0.84 -1.58 0.56 0.00 0.00 179.97 179.92 3gj3 s HIS 30 N -5.22 2.75 0.14 3.04 2.46 -1.11 -0.46 115.29 116.88 3gj3 s HIS 30 Ca -0.06 0.44 -0.13 0.00 0.47 0.00 0.00 55.06 55.78 3gj3 s HIS 30 Cb 0.17 -4.34 0.01 0.00 -0.13 0.00 0.00 32.58 28.29 3gj3 s HIS 30 CO 0.69 -1.38 1.59 -0.07 -2.47 0.00 0.00 174.74 173.10 3gj3 h LEU 31 N 11.36 0.84 -0.44 8.88 3.38 -1.61 -1.11 115.31 136.60 3gj3 h LEU 31 Ca -0.24 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.27 3gj3 h LEU 31 Cb 1.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3gj3 h LEU 31 CO 1.13 0.95 -0.27 0.74 0.09 0.00 0.00 178.44 181.09 3gj3 h THR 32 N 0.70 1.27 -0.48 0.22 2.02 -1.91 -1.07 112.91 113.67 3gj3 h THR 32 Ca 0.13 -1.43 0.05 0.00 0.77 0.00 0.00 66.41 65.93 3gj3 h THR 32 Cb 0.53 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3gj3 h THR 32 CO 0.03 0.49 0.32 1.23 0.37 0.00 0.00 175.52 177.96 3gj3 h GLY 33 N 0.81 0.54 0.67 2.16 0.00 -1.58 0.22 103.07 105.88 3gj3 h GLY 33 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 3gj3 h GLY 33 CO 0.08 0.14 -0.43 -2.09 0.00 0.00 0.00 176.54 174.24 3gj3 h GLU 34 N 0.44 0.33 -0.53 4.80 4.57 -0.85 -2.45 114.58 120.89 3gj3 h GLU 34 Ca 0.20 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3gj3 h GLU 34 Cb 0.25 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 3gj3 h GLU 34 CO -0.05 1.00 0.26 0.35 -1.18 0.00 0.00 179.01 179.39 3gj3 h PHE 35 N -0.22 0.73 -0.64 0.92 3.57 -0.59 -2.94 116.94 117.77 3gj3 h PHE 35 Ca -0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3gj3 h PHE 35 Cb 1.13 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3gj3 h PHE 35 CO 0.15 0.53 0.00 0.39 -2.23 0.00 0.00 178.31 177.15 3gj3 n GLU 36 N -4.38 3.33 -1.78 1.11 1.02 0.72 -4.99 120.64 115.67 3gj3 n GLU 36 Ca 0.05 -2.75 -0.37 0.00 -0.02 0.00 0.00 57.16 54.06 3gj3 n GLU 36 Cb 0.12 -1.74 0.06 0.00 -0.02 0.00 0.00 31.44 29.86 3gj3 n GLU 36 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3gj3 s LYS 37 N -1.55 2.78 -0.12 3.49 -2.85 -0.93 -4.59 119.74 115.98 3gj3 s LYS 37 Ca 0.48 2.10 0.03 0.00 -1.00 0.00 0.00 55.97 57.58 3gj3 s LYS 37 Cb 0.29 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 3gj3 s LYS 37 CO 0.26 -1.43 -0.22 0.15 0.10 0.00 0.00 175.35 174.21 3gj3 s LYS 38 N -3.22 3.07 -0.07 1.78 1.02 0.70 -4.92 119.74 118.10 3gj3 s LYS 38 Ca 0.79 -0.85 -0.22 0.00 0.02 0.00 0.00 55.97 55.70 3gj3 s LYS 38 Cb -0.38 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 3gj3 s LYS 38 CO 0.42 0.08 0.66 -0.47 -0.92 0.00 0.00 175.35 175.11 3gj3 s TYR 39 N 0.60 3.57 -0.49 3.18 5.04 -1.26 -0.42 117.35 127.56 3gj3 s TYR 39 Ca -0.12 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 55.63 3gj3 s TYR 39 Cb -0.17 -2.76 0.13 0.00 0.35 0.00 0.00 41.96 39.51 3gj3 s TYR 39 CO 0.03 0.10 0.33 0.08 -1.34 0.00 0.00 175.55 174.76 3gj3 s VAL 40 N 0.76 3.92 0.15 3.14 1.01 0.11 -4.97 120.40 124.51 3gj3 s VAL 40 Ca 0.35 -2.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.12 3gj3 s VAL 40 Cb -0.17 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3gj3 s VAL 40 CO 0.17 -0.78 1.70 0.00 0.00 0.00 0.00 175.10 176.19 3gj3 h ALA 41 N 8.10 0.60 -0.41 5.51 0.00 -1.95 0.15 119.26 131.26 3gj3 h ALA 41 Ca -0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gj3 h ALA 41 Cb 1.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3gj3 h ALA 41 CO 0.79 0.20 0.17 1.79 0.00 0.00 0.00 179.25 182.20 3gj3 h THR 42 N 0.61 1.15 -0.00 0.00 1.35 -1.97 -2.82 112.91 111.23 3gj3 h THR 42 Ca 0.16 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3gj3 h THR 42 Cb 0.18 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3gj3 h THR 42 CO -0.01 0.18 -0.84 0.18 -0.25 0.00 0.00 175.52 174.77 3gj3 n LEU 43 N -4.39 0.96 -3.29 3.87 4.77 -1.08 -5.01 117.00 112.84 3gj3 n LEU 43 Ca 0.03 -0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 55.33 3gj3 n LEU 43 Cb 0.14 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3gj3 n LEU 43 CO 0.37 0.23 0.04 0.61 -1.33 0.00 0.00 177.39 177.31 3gj3 n GLY 44 N 1.43 -1.04 3.07 -0.72 0.00 0.50 -4.90 105.19 103.53 3gj3 n GLY 44 Ca 0.04 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 3gj3 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj3 s VAL 45 N -3.39 0.75 -0.24 1.61 1.01 -1.00 -2.54 120.40 116.61 3gj3 s VAL 45 Ca 0.39 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3gj3 s VAL 45 Cb -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3gj3 s VAL 45 CO 0.74 -0.07 0.02 -1.61 0.00 0.00 0.00 175.10 174.18 3gj3 s GLU 46 N -0.98 3.49 -0.32 2.72 2.02 -0.38 0.07 118.70 125.32 3gj3 s GLU 46 Ca -0.02 -0.57 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 3gj3 s GLU 46 Cb -0.07 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 3gj3 s GLU 46 CO 0.01 -0.21 0.45 0.08 0.02 0.00 0.00 175.26 175.61 3gj3 s VAL 47 N 1.55 5.08 -0.34 2.63 1.01 0.44 -1.24 120.40 129.52 3gj3 s VAL 47 Ca 0.06 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 3gj3 s VAL 47 Cb -0.15 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3gj3 s VAL 47 CO 0.00 -0.09 0.24 -1.00 0.00 0.00 0.00 175.10 174.25 3gj3 s HIS 48 N 2.24 3.23 -0.59 5.22 3.76 0.46 -0.21 115.29 129.40 3gj3 s HIS 48 Ca 0.17 -0.23 -0.27 0.00 -0.15 0.00 0.00 55.06 54.58 3gj3 s HIS 48 Cb -0.16 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.09 3gj3 s HIS 48 CO 0.12 -0.37 1.13 -1.25 -0.85 0.00 0.00 174.74 173.52 3gj3 s PRO 49 N 1.72 3.42 -0.40 8.40 0.04 -1.26 -0.41 135.00 146.51 3gj3 s PRO 49 Ca 0.06 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.01 3gj3 s PRO 49 Cb -0.17 -4.05 0.05 0.00 0.04 0.00 0.00 34.50 30.36 3gj3 s PRO 49 CO 0.10 -1.68 0.25 -0.51 0.04 0.00 0.00 177.00 175.20 3gj3 s LEU 50 N 4.73 4.97 0.01 -3.56 1.43 0.73 -3.83 118.68 123.16 3gj3 s LEU 50 Ca 0.38 -1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.11 3gj3 s LEU 50 Cb -0.09 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 3gj3 s LEU 50 CO 0.22 -0.46 0.58 -0.69 0.23 0.00 0.00 176.35 176.23 3gj3 s VAL 51 N 1.54 4.87 -0.02 -1.59 1.01 -1.26 -0.58 120.40 124.37 3gj3 s VAL 51 Ca 0.03 1.23 0.07 0.00 0.00 0.00 0.00 61.98 63.30 3gj3 s VAL 51 Cb -0.21 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3gj3 s VAL 51 CO 0.06 0.45 -0.22 -0.36 0.00 0.00 0.00 175.10 175.04 3gj3 s PHE 52 N -0.43 1.94 -0.36 5.22 0.40 0.20 -4.80 117.98 120.15 3gj3 s PHE 52 Ca 0.30 -0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 56.10 3gj3 s PHE 52 Cb -0.18 -1.25 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 3gj3 s PHE 52 CO 0.17 -0.03 0.43 -1.01 0.70 0.00 0.00 175.22 175.48 3gj3 s HIS 53 N -0.51 3.19 0.40 0.36 3.76 -1.26 -0.63 115.29 120.60 3gj3 s HIS 53 Ca 0.08 -0.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.07 3gj3 s HIS 53 Cb -0.08 -2.81 -0.01 0.00 1.11 0.00 0.00 32.58 30.79 3gj3 s HIS 53 CO -0.01 -0.52 0.44 0.95 -0.85 0.00 0.00 174.74 174.76 3gj3 s THR 54 N 2.19 3.03 -0.66 1.30 -4.23 0.11 -0.46 115.64 116.91 3gj3 s THR 54 Ca 0.14 -1.20 0.15 0.00 -1.18 0.00 0.00 61.69 59.61 3gj3 s THR 54 Cb -0.16 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 70.76 3gj3 s THR 54 CO 0.13 -0.04 1.45 -0.46 -0.54 0.00 0.00 174.62 175.16 3gj3 n ASN 55 N -1.64 0.31 -0.95 3.99 6.94 -0.32 -1.05 115.26 122.54 3gj3 n ASN 55 Ca 0.04 0.61 0.03 0.00 -0.02 0.00 0.00 54.58 55.24 3gj3 n ASN 55 Cb 0.60 -0.66 0.23 0.00 -2.36 0.00 0.00 39.78 37.58 3gj3 n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gj3 n ARG 56 N -1.88 2.38 0.00 -3.83 1.74 -1.26 -5.05 116.66 108.75 3gj3 n ARG 56 Ca 0.01 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 3gj3 n ARG 56 Cb 0.10 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 3gj3 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gj3 n GLY 57 N -0.83 -3.55 3.78 -0.13 0.00 -0.21 -4.99 105.19 99.25 3gj3 n GLY 57 Ca 0.26 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 3gj3 n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gj3 s PRO 58 N -0.87 3.91 0.04 1.61 0.02 -1.26 -0.72 135.00 137.74 3gj3 s PRO 58 Ca 0.00 1.57 0.05 0.00 0.02 0.00 0.00 61.00 62.64 3gj3 s PRO 58 Cb 0.00 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 3gj3 s PRO 58 CO 0.00 -0.37 -0.14 0.96 -0.33 0.00 0.00 177.00 177.12 3gj3 s ILE 59 N -1.70 1.08 -0.16 2.83 -4.36 0.19 -4.57 121.20 114.51 3gj3 s ILE 59 Ca 0.62 -1.04 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 3gj3 s ILE 59 Cb -0.23 -0.99 0.02 0.00 1.25 0.00 0.00 42.46 42.51 3gj3 s ILE 59 CO 0.28 -0.05 -0.19 -0.75 0.24 0.00 0.00 174.94 174.47 3gj3 s LYS 60 N -1.25 2.83 -0.34 0.37 2.20 -0.34 -0.63 119.74 122.58 3gj3 s LYS 60 Ca 0.00 -0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 54.70 3gj3 s LYS 60 Cb -0.08 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 3gj3 s LYS 60 CO 0.01 -0.15 0.30 -0.06 -0.36 0.00 0.00 175.35 175.09 3gj3 s PHE 61 N 1.18 3.22 -0.82 4.03 0.08 0.25 -0.91 117.98 125.01 3gj3 s PHE 61 Ca 0.01 -0.11 -0.23 0.00 0.12 0.00 0.00 56.93 56.73 3gj3 s PHE 61 Cb -0.14 -2.57 0.07 0.00 -0.57 0.00 0.00 43.02 39.81 3gj3 s PHE 61 CO -0.09 -0.39 1.18 -0.80 -0.10 0.00 0.00 175.22 175.01 3gj3 s ASN 62 N 1.73 6.35 -0.20 1.36 0.01 0.12 -0.20 114.94 124.11 3gj3 s ASN 62 Ca 0.09 -1.22 -0.22 0.00 -0.71 0.00 0.00 52.86 50.80 3gj3 s ASN 62 Cb -0.17 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 3gj3 s ASN 62 CO 0.11 -1.46 0.69 -0.69 -1.51 0.00 0.00 177.10 174.25 3gj3 s VAL 63 N 4.31 4.97 -0.47 1.60 1.01 0.45 -0.89 120.40 131.37 3gj3 s VAL 63 Ca 0.33 1.32 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 3gj3 s VAL 63 Cb -0.08 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.33 3gj3 s VAL 63 CO 0.02 0.07 0.68 0.26 0.00 0.00 0.00 175.10 176.13 3gj3 s TRP 64 N 2.06 3.02 -0.17 5.22 0.52 0.41 -0.40 118.94 129.60 3gj3 s TRP 64 Ca 0.31 -0.19 -0.07 0.00 0.02 0.00 0.00 56.10 56.17 3gj3 s TRP 64 Cb -0.16 -3.50 -0.04 0.00 -1.15 0.00 0.00 33.47 28.62 3gj3 s TRP 64 CO 0.11 -0.98 0.05 0.34 0.02 0.00 0.00 176.95 176.48 3gj3 s ASP 65 N 2.32 5.55 1.09 2.95 2.15 -0.38 -2.81 116.67 127.54 3gj3 s ASP 65 Ca 0.21 0.08 -0.14 0.00 0.43 0.00 0.00 52.55 53.14 3gj3 s ASP 65 Cb -0.15 -1.92 0.23 0.00 -0.30 0.00 0.00 42.92 40.78 3gj3 s ASP 65 CO 0.17 0.20 1.08 0.42 -0.17 0.00 0.00 175.17 176.87 3gj3 s THR 66 N 0.21 1.90 -0.44 1.71 -4.23 -1.26 -1.25 115.64 112.28 3gj3 s THR 66 Ca 0.04 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 3gj3 s THR 66 Cb -0.12 -2.41 0.52 0.00 1.34 0.00 0.00 72.50 71.82 3gj3 s THR 66 CO 0.01 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.77 3gj3 n ALA 67 N -4.48 5.36 -0.36 3.99 0.00 -1.05 -4.66 120.51 119.31 3gj3 n ALA 67 Ca 0.06 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.18 3gj3 n ALA 67 Cb 0.57 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3gj3 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj3 n GLY 68 N -0.99 0.82 0.33 0.00 0.00 -1.26 -4.93 105.19 99.15 3gj3 n GLY 68 Ca 0.50 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.74 3gj3 n GLY 68 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gj3 h GLN 69 N 3.95 0.00 0.00 1.61 7.50 -1.91 -2.25 115.11 124.00 3gj3 h GLN 69 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3gj3 h GLN 69 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3gj3 h GLN 69 CO 0.00 0.00 0.00 1.05 -1.50 0.00 0.00 178.83 178.38 3gj3 h GLU 70 N 0.00 0.00 0.00 1.46 9.09 -1.91 -0.77 114.58 122.44 3gj3 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gj3 h GLU 70 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3gj3 h GLU 70 CO 0.00 0.00 0.00 0.87 0.05 0.00 0.00 179.01 179.93 3gj3 h LYS 71 N 0.00 0.00 -0.02 1.06 1.57 -1.79 -3.27 116.57 114.13 3gj3 h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj3 h LYS 71 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gj3 h LYS 71 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 3gj3 n PHE 72 N -2.73 0.01 -0.55 -1.35 3.72 -0.30 -5.03 117.46 111.24 3gj3 n PHE 72 Ca 0.01 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3gj3 n PHE 72 Cb 0.24 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3gj3 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gj3 n GLY 73 N 0.26 -1.88 3.64 1.37 0.00 -1.23 -5.13 105.19 102.23 3gj3 n GLY 73 Ca 0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3gj3 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gj3 s GLY 74 N 0.00 1.65 0.36 -0.02 0.00 -1.26 -4.34 107.32 103.72 3gj3 s GLY 74 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 3gj3 s GLY 74 CO 0.00 0.85 0.75 1.08 0.00 0.00 0.00 173.10 175.78 3gj3 s LEU 75 N -6.68 3.94 0.67 0.66 1.43 -1.26 -4.91 118.68 112.53 3gj3 s LEU 75 Ca 0.67 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 3gj3 s LEU 75 Cb -0.23 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 41.97 3gj3 s LEU 75 CO 0.59 -0.30 1.12 -0.13 0.23 0.00 0.00 176.35 177.86 3gj3 s ARG 76 N -3.44 2.70 0.34 1.70 0.52 -1.26 -4.92 118.95 114.59 3gj3 s ARG 76 Ca 0.52 1.42 0.08 0.00 -0.52 0.00 0.00 55.73 57.23 3gj3 s ARG 76 Cb -0.10 -1.93 0.78 0.00 0.52 0.00 0.00 34.95 34.21 3gj3 s ARG 76 CO 0.25 -1.33 1.84 -0.44 0.02 0.00 0.00 175.30 175.63 3gj3 h ASP 77 N -0.06 0.71 -0.45 0.23 3.32 -2.00 -0.84 116.42 117.33 3gj3 h ASP 77 Ca -0.47 0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.66 3gj3 h ASP 77 Cb 1.25 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3gj3 h ASP 77 CO 0.53 0.33 0.30 1.23 -1.72 0.00 0.00 179.24 179.91 3gj3 h GLY 78 N 0.73 0.58 0.88 2.75 0.00 -1.95 0.26 103.07 106.33 3gj3 h GLY 78 Ca 0.49 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.64 3gj3 h GLY 78 CO -0.25 0.19 0.32 -1.82 0.00 0.00 0.00 176.54 174.98 3gj3 h TYR 79 N 0.53 0.60 0.00 5.60 3.20 -1.50 -3.17 116.97 122.23 3gj3 h TYR 79 Ca 0.18 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.87 3gj3 h TYR 79 Cb 0.06 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 3gj3 h TYR 79 CO -0.00 0.35 -1.03 1.88 -1.64 0.00 0.00 178.16 177.72 3gj3 h TYR 80 N 0.64 0.00 -3.75 -3.82 0.05 -1.23 -3.46 116.97 105.40 3gj3 h TYR 80 Ca 0.21 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.45 3gj3 h TYR 80 Cb 0.01 0.00 0.10 0.00 1.01 0.00 0.00 36.73 37.86 3gj3 h TYR 80 CO -0.06 0.87 0.79 1.51 -1.05 0.00 0.00 178.16 180.22 3gj3 n ILE 81 N -3.25 1.77 -0.97 -2.88 0.13 -0.05 -1.46 119.36 112.65 3gj3 n ILE 81 Ca -0.03 -0.44 0.00 0.00 -1.10 0.00 0.00 62.75 61.18 3gj3 n ILE 81 Cb 0.91 -1.96 0.00 0.00 -0.84 0.00 0.00 39.64 37.75 3gj3 n ILE 81 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3gj3 n GLN 82 N 0.84 -1.17 -1.79 9.51 1.13 -1.26 -4.97 117.38 119.66 3gj3 n GLN 82 Ca 0.03 0.29 -0.41 0.00 -1.94 0.00 0.00 57.00 54.97 3gj3 n GLN 82 Cb 0.38 -4.24 -0.01 0.00 0.11 0.00 0.00 30.24 26.49 3gj3 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gj3 s ALA 83 N -1.42 3.67 -0.44 -1.58 0.00 -0.53 -4.63 121.76 116.82 3gj3 s ALA 83 Ca 0.00 1.58 0.13 0.00 0.00 0.00 0.00 51.96 53.67 3gj3 s ALA 83 Cb 0.00 -3.63 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 3gj3 s ALA 83 CO 0.00 -1.02 0.49 1.04 0.00 0.00 0.00 175.76 176.27 3gj3 n GLN 84 N 1.39 1.93 -3.79 0.00 6.02 0.24 -4.97 117.38 118.20 3gj3 n GLN 84 Ca 0.05 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 3gj3 n GLN 84 Cb 0.38 -1.19 -0.00 0.00 1.02 0.00 0.00 30.24 30.45 3gj3 n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj3 s ALA 86 N -2.98 -1.30 -0.09 0.00 0.00 -0.74 -1.75 121.76 114.90 3gj3 s ALA 86 Ca 0.15 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3gj3 s ALA 86 Cb -0.02 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3gj3 s ALA 86 CO 0.04 -0.52 -0.20 0.42 0.00 0.00 0.00 175.76 175.50 3gj3 s ILE 87 N -2.59 1.75 -0.22 0.00 1.01 -0.29 -1.24 121.20 119.63 3gj3 s ILE 87 Ca -0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3gj3 s ILE 87 Cb -0.01 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3gj3 s ILE 87 CO -0.03 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 174.81 3gj3 s ILE 88 N 0.49 4.25 -0.03 2.92 1.01 -0.07 -1.09 121.20 128.67 3gj3 s ILE 88 Ca -0.17 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3gj3 s ILE 88 Cb -0.17 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 3gj3 s ILE 88 CO 0.07 0.40 -0.04 -0.32 0.00 0.00 0.00 174.94 175.04 3gj3 s MET 89 N 1.15 2.71 0.36 2.79 1.75 0.81 -0.32 119.30 128.55 3gj3 s MET 89 Ca 0.04 -0.61 0.04 0.00 -1.25 0.00 0.00 55.69 53.91 3gj3 s MET 89 Cb -0.14 -2.60 -0.03 0.00 2.84 0.00 0.00 34.83 34.89 3gj3 s MET 89 CO 0.03 0.64 0.15 -0.59 -0.65 0.00 0.00 175.02 174.59 3gj3 s PHE 90 N -0.96 1.74 -0.24 4.11 -0.71 0.02 -4.00 117.98 117.94 3gj3 s PHE 90 Ca 0.16 -1.34 -0.03 0.00 -1.04 0.00 0.00 56.93 54.68 3gj3 s PHE 90 Cb -0.11 -1.02 0.01 0.00 -1.21 0.00 0.00 43.02 40.69 3gj3 s PHE 90 CO 0.06 -0.42 -0.04 0.34 -1.34 0.00 0.00 175.22 173.82 3gj3 s ASP 91 N -3.50 4.39 0.00 1.98 -1.08 -1.26 -0.33 116.67 116.87 3gj3 s ASP 91 Ca 0.30 -0.69 0.12 0.00 -0.52 0.00 0.00 52.55 51.76 3gj3 s ASP 91 Cb 0.04 -1.71 0.59 0.00 -1.46 0.00 0.00 42.92 40.37 3gj3 s ASP 91 CO 0.17 -0.10 1.32 1.33 0.52 0.00 0.00 175.17 178.41 3gj3 n VAL 92 N 4.74 0.79 0.84 1.11 0.24 -0.48 -1.02 118.33 124.55 3gj3 n VAL 92 Ca -0.17 0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 3gj3 n VAL 92 Cb 0.48 -1.00 0.20 0.00 -1.47 0.00 0.00 33.84 32.06 3gj3 n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gj3 n THR 93 N -1.33 0.18 -3.56 3.34 -2.24 -1.26 0.18 114.28 109.59 3gj3 n THR 93 Ca 0.05 -0.54 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 3gj3 n THR 93 Cb 0.11 1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.33 3gj3 n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gj3 s SER 94 N -1.80 3.55 0.40 3.42 0.15 -0.19 -4.75 113.70 114.49 3gj3 s SER 94 Ca 0.33 -1.43 0.08 0.00 0.70 0.00 0.00 55.95 55.62 3gj3 s SER 94 Cb 0.21 -0.43 0.85 0.00 -1.71 0.00 0.00 66.02 64.94 3gj3 s SER 94 CO 0.31 -0.42 2.03 0.03 1.20 0.00 0.00 173.24 176.38 3gj3 h ARG 95 N 8.22 0.57 -0.31 5.44 3.08 -1.87 -1.53 114.38 127.99 3gj3 h ARG 95 Ca -0.17 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3gj3 h ARG 95 Cb 1.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3gj3 h ARG 95 CO 0.43 0.38 0.16 -0.24 -1.07 0.00 0.00 179.97 179.63 3gj3 h VAL 96 N 0.59 1.11 -0.04 2.04 3.04 -1.95 -0.34 116.25 120.71 3gj3 h VAL 96 Ca 0.20 -0.28 -0.08 0.00 -1.01 0.00 0.00 66.70 65.53 3gj3 h VAL 96 Cb 0.08 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 3gj3 h VAL 96 CO -0.05 0.12 -0.37 0.71 -1.01 0.00 0.00 177.57 176.97 3gj3 h THR 97 N 0.42 1.28 -0.27 3.17 1.35 -1.58 -1.48 112.91 115.80 3gj3 h THR 97 Ca 0.11 -1.32 -0.17 0.00 -0.55 0.00 0.00 66.41 64.48 3gj3 h THR 97 Cb 0.03 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3gj3 h THR 97 CO -0.02 0.38 -0.48 0.22 -0.25 0.00 0.00 175.52 175.37 3gj3 h TYR 98 N 0.06 1.00 0.00 4.73 3.20 -1.16 -3.14 116.97 121.66 3gj3 h TYR 98 Ca 0.01 -0.35 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 3gj3 h TYR 98 Cb 0.69 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 3gj3 h TYR 98 CO 0.00 1.16 -0.08 0.87 -1.64 0.00 0.00 178.16 178.48 3gj3 h LYS 99 N 0.56 0.00 -0.00 1.82 1.57 -0.52 -1.43 116.57 118.57 3gj3 h LYS 99 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gj3 h LYS 99 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3gj3 h LYS 99 CO 0.11 0.08 -0.10 0.09 -0.57 0.00 0.00 179.45 179.05 3gj3 n ASN 100 N -4.19 0.39 -0.18 0.86 5.03 -0.61 -4.10 115.26 112.46 3gj3 n ASN 100 Ca -0.03 -0.49 -0.05 0.00 0.87 0.00 0.00 54.58 54.89 3gj3 n ASN 100 Cb 0.16 -0.10 0.05 0.00 -1.02 0.00 0.00 39.78 38.87 3gj3 n ASN 100 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3gj3 h VAL 101 N 0.46 1.00 -0.89 2.41 2.07 -1.25 -1.57 116.25 118.48 3gj3 h VAL 101 Ca 0.00 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.42 3gj3 h VAL 101 Cb 0.35 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3gj3 h VAL 101 CO 0.00 0.10 0.57 -0.65 0.02 0.00 0.00 177.57 177.62 3gj3 h PRO 102 N 0.57 0.87 -0.35 1.57 0.11 -1.78 -0.70 132.00 132.29 3gj3 h PRO 102 Ca 0.22 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3gj3 h PRO 102 Cb 0.09 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3gj3 h PRO 102 CO -0.13 0.58 0.14 -0.91 -0.21 0.00 0.00 178.00 177.47 3gj3 h ASN 103 N 0.90 0.48 -0.54 -2.05 2.35 -1.57 -0.54 115.58 114.61 3gj3 h ASN 103 Ca 0.41 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3gj3 h ASN 103 Cb 0.38 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3gj3 h ASN 103 CO -0.17 0.52 0.36 -0.50 -1.65 0.00 0.00 177.43 175.98 3gj3 h TRP 104 N 0.42 0.67 -0.65 1.19 4.06 -0.79 -0.64 115.95 120.22 3gj3 h TRP 104 Ca 0.12 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.10 3gj3 h TRP 104 Cb 0.18 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.08 3gj3 h TRP 104 CO -0.00 0.42 0.42 1.25 -3.56 0.00 0.00 178.44 176.96 3gj3 h HIS 105 N 0.73 0.79 -0.27 0.49 2.76 -0.95 -0.73 115.15 117.96 3gj3 h HIS 105 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3gj3 h HIS 105 Cb -0.07 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 3gj3 h HIS 105 CO -0.04 0.47 0.17 -0.09 -1.30 0.00 0.00 177.93 177.15 3gj3 h ARG 106 N 0.84 0.37 -0.82 5.26 2.43 -0.61 -0.31 114.38 121.54 3gj3 h ARG 106 Ca 0.25 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3gj3 h ARG 106 Cb -0.04 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3gj3 h ARG 106 CO -0.08 0.27 0.36 -0.44 -1.51 0.00 0.00 179.97 178.58 3gj3 h ASP 107 N 0.36 1.10 0.55 -3.80 3.32 -0.84 -1.20 116.42 115.91 3gj3 h ASP 107 Ca 0.10 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3gj3 h ASP 107 Cb -0.01 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.26 3gj3 h ASP 107 CO -0.02 0.95 -0.27 0.25 -1.72 0.00 0.00 179.24 178.44 3gj3 h LEU 108 N 1.18 -0.63 -1.46 1.55 5.85 -0.83 -3.10 115.31 117.87 3gj3 h LEU 108 Ca 0.28 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3gj3 h LEU 108 Cb 0.17 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3gj3 h LEU 108 CO -0.03 -0.37 -0.17 0.58 -0.34 0.00 0.00 178.44 178.11 3gj3 h VAL 109 N -0.85 1.17 -0.83 1.05 2.07 -0.99 0.56 116.25 118.44 3gj3 h VAL 109 Ca -0.08 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.75 3gj3 h VAL 109 Cb 0.61 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3gj3 h VAL 109 CO 0.12 0.24 0.48 -0.09 0.02 0.00 0.00 177.57 178.34 3gj3 h ARG 110 N 0.14 0.78 0.07 1.57 2.43 -1.15 0.11 114.38 118.34 3gj3 h ARG 110 Ca 0.03 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.80 3gj3 h ARG 110 Cb 0.39 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3gj3 h ARG 110 CO 0.03 0.52 -1.97 0.28 -1.51 0.00 0.00 179.97 177.31 3gj3 n VAL 111 N -4.73 1.68 0.47 0.20 0.31 -0.91 -4.59 118.33 110.76 3gj3 n VAL 111 Ca 0.14 -0.70 0.05 0.00 -0.01 0.00 0.00 64.34 63.81 3gj3 n VAL 111 Cb 0.27 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3gj3 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gj3 n GLU 113 N -0.20 0.00 -0.87 0.00 1.02 0.39 -3.83 120.64 117.15 3gj3 n GLU 113 Ca 0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3gj3 n GLU 113 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.62 3gj3 n GLU 113 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3gj3 n ASN 114 N -1.22 5.91 -4.75 1.62 5.15 -1.26 -4.44 115.26 116.26 3gj3 n ASN 114 Ca 0.00 -2.78 -0.33 0.00 -0.60 0.00 0.00 54.58 50.87 3gj3 n ASN 114 Cb 0.00 -1.17 0.07 0.00 -0.53 0.00 0.00 39.78 38.15 3gj3 n ASN 114 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gj3 s ILE 115 N -1.00 2.82 0.22 -1.44 -4.36 -1.25 -4.94 121.20 111.26 3gj3 s ILE 115 Ca 0.31 0.39 -0.31 0.00 -0.26 0.00 0.00 60.65 60.78 3gj3 s ILE 115 Cb 0.20 -2.91 -0.11 0.00 1.25 0.00 0.00 42.46 40.89 3gj3 s ILE 115 CO -0.04 -0.23 1.56 -2.84 0.24 0.00 0.00 174.94 173.63 3gj3 s PRO 116 N -4.03 4.20 -0.03 0.37 0.02 -1.26 -4.88 135.00 129.39 3gj3 s PRO 116 Ca 0.70 2.42 0.02 0.00 0.02 0.00 0.00 61.00 64.16 3gj3 s PRO 116 Cb -0.24 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.18 3gj3 s PRO 116 CO 0.43 -0.58 -0.08 0.42 -0.33 0.00 0.00 177.00 176.87 3gj3 s ILE 117 N 0.56 0.69 -0.08 2.83 1.01 -1.26 -1.78 121.20 123.16 3gj3 s ILE 117 Ca 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3gj3 s ILE 117 Cb -0.45 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3gj3 s ILE 117 CO 0.39 0.23 -0.06 -0.69 0.00 0.00 0.00 174.94 174.80 3gj3 s VAL 118 N 0.32 3.73 -0.19 2.92 1.01 -0.37 -3.57 120.40 124.24 3gj3 s VAL 118 Ca -0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3gj3 s VAL 118 Cb -0.09 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3gj3 s VAL 118 CO 0.00 0.58 0.19 -0.22 0.00 0.00 0.00 175.10 175.66 3gj3 s LEU 119 N -0.61 4.21 -0.10 3.92 2.96 0.73 -0.89 118.68 128.90 3gj3 s LEU 119 Ca 0.09 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3gj3 s LEU 119 Cb -0.12 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.39 3gj3 s LEU 119 CO 0.02 0.13 -0.18 0.00 -1.32 0.00 0.00 176.35 175.00 3gj3 s GLY 121 N 0.77 2.02 0.47 0.00 0.00 -0.65 -0.80 107.32 109.13 3gj3 s GLY 121 Ca -0.11 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.69 3gj3 s GLY 121 CO 0.01 1.01 0.69 0.21 0.00 0.00 0.00 173.10 175.02 3gj3 s ASN 122 N 2.20 5.76 -0.39 1.64 2.47 0.55 -0.74 114.94 126.42 3gj3 s ASN 122 Ca 0.05 0.26 -0.00 0.00 0.42 0.00 0.00 52.86 53.59 3gj3 s ASN 122 Cb -0.22 -1.46 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 3gj3 s ASN 122 CO 0.08 -0.76 0.05 0.29 -3.72 0.00 0.00 177.10 173.04 3gj3 n LYS 123 N -2.13 -0.63 0.00 0.43 5.02 -0.78 -1.39 118.16 118.69 3gj3 n LYS 123 Ca 0.02 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3gj3 n LYS 123 Cb 0.58 -3.87 0.47 0.00 -0.02 0.00 0.00 35.03 32.19 3gj3 n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gj3 n VAL 124 N -3.84 0.48 0.27 -0.18 0.24 -1.11 -1.99 118.33 112.19 3gj3 n VAL 124 Ca -0.05 0.12 0.15 0.00 -2.04 0.00 0.00 64.34 62.53 3gj3 n VAL 124 Cb 0.54 -0.79 0.67 0.00 -1.47 0.00 0.00 33.84 32.79 3gj3 n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3gj3 h ASP 125 N 0.00 0.00 -3.00 -1.34 2.03 -1.92 -3.43 116.42 108.77 3gj3 h ASP 125 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3gj3 h ASP 125 Cb 0.23 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.68 3gj3 h ASP 125 CO 0.00 0.07 0.91 -0.63 -1.03 0.00 0.00 179.24 178.56 3gj3 s ILE 126 N -3.75 4.28 0.18 4.15 1.01 -0.84 -4.92 121.20 121.30 3gj3 s ILE 126 Ca 0.00 1.52 -0.16 0.00 0.00 0.00 0.00 60.65 62.01 3gj3 s ILE 126 Cb 0.10 -4.08 0.14 0.00 0.01 0.00 0.00 42.46 38.63 3gj3 s ILE 126 CO 0.56 -0.24 1.66 0.11 0.00 0.00 0.00 174.94 177.03 3gj3 h LYS 127 N 8.45 0.01 -5.75 2.79 1.57 -1.89 -3.28 116.57 118.46 3gj3 h LYS 127 Ca -0.26 -0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.84 3gj3 h LYS 127 Cb 1.10 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.32 3gj3 h LYS 127 CO 0.99 0.01 2.23 -3.47 -0.57 0.00 0.00 179.45 178.64 3gj3 n ASP 128 N -5.33 4.90 -4.71 0.86 2.03 -1.26 -4.96 116.55 108.07 3gj3 n ASP 128 Ca 0.04 -2.92 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 3gj3 n ASP 128 Cb 0.25 -1.74 -0.03 0.00 -0.72 0.00 0.00 41.12 38.88 3gj3 n ASP 128 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3gj3 s ARG 129 N 4.12 4.54 -0.21 -0.67 3.52 -1.24 -4.82 118.95 124.19 3gj3 s ARG 129 Ca 0.53 1.34 -0.07 0.00 -0.13 0.00 0.00 55.73 57.41 3gj3 s ARG 129 Cb 0.04 -3.46 -0.19 0.00 -1.56 0.00 0.00 34.95 29.78 3gj3 s ARG 129 CO 0.07 -0.03 0.00 1.63 -0.81 0.00 0.00 175.30 176.16 3gj3 n LYS 130 N 3.87 0.66 -3.31 5.12 4.76 0.31 -4.75 118.16 124.82 3gj3 n LYS 130 Ca 0.05 0.27 -0.46 0.00 -2.87 0.00 0.00 58.31 55.29 3gj3 n LYS 130 Cb 0.51 -1.61 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 3gj3 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gj3 s VAL 131 N -2.51 5.28 0.50 -0.18 1.01 0.13 -4.98 120.40 119.66 3gj3 s VAL 131 Ca -0.31 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 59.99 3gj3 s VAL 131 Cb 0.09 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 32.11 3gj3 s VAL 131 CO 0.63 -0.92 0.72 -0.54 0.00 0.00 0.00 175.10 175.00 3gj3 s LYS 132 N 1.33 2.80 0.27 2.72 1.02 -1.26 -4.84 119.74 121.78 3gj3 s LYS 132 Ca 0.07 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 3gj3 s LYS 132 Cb -0.25 -2.53 0.62 0.00 -0.52 0.00 0.00 37.83 35.15 3gj3 s LYS 132 CO 0.00 -0.49 1.65 0.00 -0.92 0.00 0.00 175.35 175.59 3gj3 h ALA 133 N 0.24 1.14 -0.74 5.17 0.00 -1.94 -0.34 119.26 122.80 3gj3 h ALA 133 Ca -0.44 0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3gj3 h ALA 133 Cb 1.27 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 3gj3 h ALA 133 CO 0.55 -0.43 0.48 1.57 0.00 0.00 0.00 179.25 181.42 3gj3 h LYS 134 N 0.20 0.62 0.00 0.00 2.10 -1.94 -1.78 116.57 115.77 3gj3 h LYS 134 Ca 0.51 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 3gj3 h LYS 134 Cb 0.98 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3gj3 h LYS 134 CO -0.64 0.41 -0.22 0.77 -2.00 0.00 0.00 179.45 177.78 3gj3 h SER 135 N 0.64 0.00 -2.63 7.07 0.02 -1.43 -3.43 113.55 113.79 3gj3 h SER 135 Ca 0.34 -0.07 -0.63 0.00 -0.84 0.00 0.00 61.79 60.58 3gj3 h SER 135 Cb 0.46 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.85 3gj3 h SER 135 CO -0.12 0.04 0.57 -0.63 -1.14 0.00 0.00 176.83 175.54 3gj3 s ILE 136 N -3.13 4.35 0.00 3.27 1.01 -0.67 -4.74 121.20 121.29 3gj3 s ILE 136 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3gj3 s ILE 136 Cb 0.12 -4.69 0.00 0.00 0.01 0.00 0.00 42.46 37.90 3gj3 s ILE 136 CO 0.64 -1.46 0.06 1.33 0.00 0.00 0.00 174.94 175.51 3gj3 n VAL 137 N 5.90 0.00 -0.22 2.92 0.24 -1.26 -4.83 118.33 121.08 3gj3 n VAL 137 Ca -0.02 -0.12 0.06 0.00 -2.04 0.00 0.00 64.34 62.22 3gj3 n VAL 137 Cb 0.46 1.37 0.31 0.00 -1.47 0.00 0.00 33.84 34.51 3gj3 n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3gj3 h PHE 138 N 0.00 0.86 -0.52 6.34 3.57 -1.99 -1.61 116.94 123.59 3gj3 h PHE 138 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3gj3 h PHE 138 Cb 0.18 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3gj3 h PHE 138 CO 0.00 0.45 -0.02 1.12 -2.23 0.00 0.00 178.31 177.63 3gj3 h HIS 139 N 0.85 0.98 -0.30 0.41 2.07 -1.88 -2.77 115.15 114.50 3gj3 h HIS 139 Ca 0.34 -0.16 0.01 0.00 -2.85 0.00 0.00 60.37 57.71 3gj3 h HIS 139 Cb 0.24 -0.26 -0.02 0.00 2.57 0.00 0.00 27.41 29.95 3gj3 h HIS 139 CO -0.00 0.89 0.19 0.00 -3.07 0.00 0.00 177.93 175.94 3gj3 h ARG 140 N 0.83 0.37 0.00 5.12 3.08 -1.53 -1.41 114.38 120.84 3gj3 h ARG 140 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3gj3 h ARG 140 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3gj3 h ARG 140 CO 0.03 0.24 0.00 1.63 -1.07 0.00 0.00 179.97 180.80 3gj3 n LYS 141 N -4.90 0.04 0.00 0.04 5.02 -0.95 -3.61 118.16 113.80 3gj3 n LYS 141 Ca -0.01 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3gj3 n LYS 141 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3gj3 n LYS 141 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gj3 n LYS 142 N -1.43 0.35 -1.56 1.97 4.76 -0.76 -5.01 118.16 116.48 3gj3 n LYS 142 Ca 0.03 -0.51 -0.10 0.00 -2.87 0.00 0.00 58.31 54.85 3gj3 n LYS 142 Cb 0.09 -0.67 -0.03 0.00 -1.84 0.00 0.00 35.03 32.58 3gj3 n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gj3 n ASN 143 N -0.09 -3.98 -4.94 4.39 5.03 -0.75 -5.02 115.26 109.89 3gj3 n ASN 143 Ca 0.00 0.17 -0.27 0.00 0.87 0.00 0.00 54.58 55.36 3gj3 n ASN 143 Cb 0.29 -2.64 -0.03 0.00 -1.02 0.00 0.00 39.78 36.38 3gj3 n ASN 143 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gj3 s LEU 144 N -2.50 4.31 0.08 3.41 1.43 -0.61 -4.95 118.68 119.86 3gj3 s LEU 144 Ca 0.00 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 3gj3 s LEU 144 Cb 0.00 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 3gj3 s LEU 144 CO 0.00 0.03 0.48 -1.58 0.23 0.00 0.00 176.35 175.51 3gj3 s GLN 145 N -3.24 3.94 0.02 1.70 2.00 -1.23 -4.48 119.66 118.35 3gj3 s GLN 145 Ca 0.36 0.42 0.07 0.00 -2.00 0.00 0.00 55.36 54.21 3gj3 s GLN 145 Cb -0.11 -3.06 -0.03 0.00 0.80 0.00 0.00 33.01 30.61 3gj3 s GLN 145 CO 0.29 0.57 -0.20 -0.47 -0.50 0.00 0.00 175.29 174.98 3gj3 s TYR 146 N -1.31 2.52 -0.00 1.67 5.04 -1.26 -0.19 117.35 123.82 3gj3 s TYR 146 Ca 0.32 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3gj3 s TYR 146 Cb -0.16 -1.48 -0.00 0.00 0.35 0.00 0.00 41.96 40.67 3gj3 s TYR 146 CO 0.17 0.19 -0.02 0.71 -1.34 0.00 0.00 175.55 175.26 3gj3 s TYR 147 N -0.84 0.17 0.38 4.97 2.02 -0.47 -4.95 117.35 118.63 3gj3 s TYR 147 Ca 0.13 -0.04 -0.26 0.00 -0.37 0.00 0.00 57.07 56.53 3gj3 s TYR 147 Cb -0.10 -0.11 -0.09 0.00 -0.40 0.00 0.00 41.96 41.26 3gj3 s TYR 147 CO 0.03 -0.00 1.23 -0.51 -1.57 0.00 0.00 175.55 174.73 3gj3 s ASP 148 N -0.06 6.56 0.06 2.29 1.01 -1.26 -1.64 116.67 123.62 3gj3 s ASP 148 Ca 0.01 2.51 -0.03 0.00 0.71 0.00 0.00 52.55 55.74 3gj3 s ASP 148 Cb -0.01 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3gj3 s ASP 148 CO -0.00 -0.66 0.04 0.27 0.21 0.00 0.00 175.17 175.03 3gj3 s ILE 149 N -1.29 0.19 -0.27 0.77 -4.36 0.08 -4.69 121.20 111.62 3gj3 s ILE 149 Ca 0.54 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 59.34 3gj3 s ILE 149 Cb -0.35 -1.42 0.09 0.00 1.25 0.00 0.00 42.46 42.03 3gj3 s ILE 149 CO 0.45 -0.87 0.08 -0.55 0.24 0.00 0.00 174.94 174.28 3gj3 s SER 150 N -2.84 3.65 0.21 4.36 0.15 -0.94 -1.86 113.70 116.43 3gj3 s SER 150 Ca 0.05 -1.34 -0.09 0.00 0.70 0.00 0.00 55.95 55.27 3gj3 s SER 150 Cb 0.06 -0.75 0.30 0.00 -1.71 0.00 0.00 66.02 63.92 3gj3 s SER 150 CO -0.10 -0.38 1.75 0.00 1.20 0.00 0.00 173.24 175.72 3gj3 h ALA 151 N 8.16 0.84 0.00 5.45 0.00 -1.92 -1.04 119.26 130.75 3gj3 h ALA 151 Ca -0.15 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gj3 h ALA 151 Cb 1.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gj3 h ALA 151 CO 0.43 -0.15 -0.03 0.87 0.00 0.00 0.00 179.25 180.37 3gj3 h LYS 152 N 0.46 0.00 -0.02 0.00 1.79 -1.95 -2.77 116.57 114.09 3gj3 h LYS 152 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 3gj3 h LYS 152 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3gj3 h LYS 152 CO -0.30 0.03 0.00 -1.13 -1.08 0.00 0.00 179.45 176.97 3gj3 n SER 153 N -3.19 1.65 -0.03 0.86 3.41 -0.88 0.09 113.62 115.53 3gj3 n SER 153 Ca -0.01 -1.33 -0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3gj3 n SER 153 Cb 0.22 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3gj3 n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gj3 n ASN 154 N 0.41 -4.68 -4.67 4.04 3.02 -0.46 -4.66 115.26 108.25 3gj3 n ASN 154 Ca 0.04 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 3gj3 n ASN 154 Cb 0.19 -2.21 -0.03 0.00 -0.61 0.00 0.00 39.78 37.12 3gj3 n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gj3 s TYR 155 N -1.47 1.91 -1.95 3.10 5.04 -0.77 -1.71 117.35 121.49 3gj3 s TYR 155 Ca 0.00 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 3gj3 s TYR 155 Cb 0.00 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.22 3gj3 s TYR 155 CO 0.00 -4.62 0.00 0.09 -1.34 0.00 0.00 175.55 169.68 3gj3 n ASN 156 N 6.54 -5.36 -0.23 4.32 3.02 -1.26 -2.22 115.26 120.06 3gj3 n ASN 156 Ca 0.18 0.36 0.03 0.00 -0.03 0.00 0.00 54.58 55.12 3gj3 n ASN 156 Cb 0.41 -4.52 0.15 0.00 -0.61 0.00 0.00 39.78 35.20 3gj3 n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gj3 h PHE 157 N 0.00 0.41 0.00 3.10 3.57 -1.68 -1.87 116.94 120.47 3gj3 h PHE 157 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3gj3 h PHE 157 Cb 1.27 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3gj3 h PHE 157 CO 0.53 0.05 0.00 1.05 -2.23 0.00 0.00 178.31 177.71 3gj3 h GLU 158 N 0.39 0.00 -0.01 1.11 9.09 -1.90 -3.38 114.58 119.88 3gj3 h GLU 158 Ca 0.36 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.80 3gj3 h GLU 158 Cb 0.52 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.59 3gj3 h GLU 158 CO -0.38 0.00 -0.18 0.87 0.05 0.00 0.00 179.01 179.37 3gj3 h LYS 159 N 0.00 -0.28 -0.84 1.06 1.79 -1.74 0.26 116.57 116.83 3gj3 h LYS 159 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3gj3 h LYS 159 Cb 0.76 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.43 3gj3 h LYS 159 CO 0.00 -0.18 0.53 -1.35 -1.08 0.00 0.00 179.45 177.37 3gj3 h PRO 160 N -0.29 1.12 -0.39 3.15 0.11 -1.75 -1.41 132.00 132.55 3gj3 h PRO 160 Ca 0.06 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 3gj3 h PRO 160 Cb 0.36 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3gj3 h PRO 160 CO -0.17 0.77 -0.20 0.74 -0.21 0.00 0.00 178.00 178.92 3gj3 h PHE 161 N 1.14 0.84 -0.45 0.65 0.04 -1.66 -0.80 116.94 116.69 3gj3 h PHE 161 Ca 0.30 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 3gj3 h PHE 161 Cb -0.09 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 3gj3 h PHE 161 CO -0.01 0.88 -0.01 1.25 -0.60 0.00 0.00 178.31 179.83 3gj3 h LEU 162 N 0.66 0.79 -0.42 1.54 5.85 -0.57 0.31 115.31 123.47 3gj3 h LEU 162 Ca 0.10 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3gj3 h LEU 162 Cb 0.69 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3gj3 h LEU 162 CO 0.05 0.91 0.06 -0.25 -0.34 0.00 0.00 178.44 178.87 3gj3 h TRP 163 N 0.65 0.75 -0.43 1.25 7.01 -1.02 -1.31 115.95 122.85 3gj3 h TRP 163 Ca 0.13 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 3gj3 h TRP 163 Cb 0.51 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 3gj3 h TRP 163 CO 0.04 0.73 0.20 -0.07 -2.79 0.00 0.00 178.44 176.54 3gj3 h LEU 164 N 0.55 0.57 -0.42 0.65 3.38 -1.03 -2.03 115.31 116.98 3gj3 h LEU 164 Ca 0.13 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3gj3 h LEU 164 Cb 0.39 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gj3 h LEU 164 CO 0.01 0.55 0.19 0.00 0.09 0.00 0.00 178.44 179.29 3gj3 h ALA 165 N 1.04 0.52 -0.62 1.53 0.00 -0.68 0.24 119.26 121.29 3gj3 h ALA 165 Ca 0.15 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3gj3 h ALA 165 Cb 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3gj3 h ALA 165 CO -0.02 -0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.37 3gj3 h ARG 166 N 0.39 0.56 -0.43 0.00 3.08 -1.10 -0.32 114.38 116.57 3gj3 h ARG 166 Ca 0.18 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3gj3 h ARG 166 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3gj3 h ARG 166 CO -0.14 0.37 -0.06 0.87 -1.07 0.00 0.00 179.97 179.94 3gj3 h LYS 167 N 0.57 0.80 -0.17 0.04 1.79 -0.61 -0.44 116.57 118.54 3gj3 h LYS 167 Ca 0.29 -0.28 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 3gj3 h LYS 167 Cb 0.23 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3gj3 h LYS 167 CO -0.21 0.90 -0.59 -0.07 -1.08 0.00 0.00 179.45 178.40 3gj3 h LEU 168 N 0.63 0.82 -0.04 2.94 3.38 -0.31 -3.13 115.31 119.60 3gj3 h LEU 168 Ca 0.11 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 3gj3 h LEU 168 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3gj3 h LEU 168 CO 0.03 1.28 -0.40 0.40 0.09 0.00 0.00 178.44 179.84 3gj3 h ILE 169 N 0.40 0.70 -1.49 1.22 1.08 -1.12 -3.48 117.51 114.83 3gj3 h ILE 169 Ca -0.02 -1.96 -0.06 0.00 -0.39 0.00 0.00 64.86 62.42 3gj3 h ILE 169 Cb 1.21 2.33 0.02 0.00 -3.07 0.00 0.00 36.82 37.30 3gj3 h ILE 169 CO 0.12 0.39 -0.10 0.61 -0.69 0.00 0.00 178.15 178.49 3gj3 n GLY 170 N 1.16 0.62 2.66 5.37 0.00 -0.24 -5.04 105.19 109.73 3gj3 n GLY 170 Ca 0.02 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 3gj3 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gj3 s ASP 171 N -3.01 3.61 0.29 1.61 -1.08 -0.79 -4.99 116.67 112.31 3gj3 s ASP 171 Ca 0.07 -1.34 0.24 0.00 -0.52 0.00 0.00 52.55 51.00 3gj3 s ASP 171 Cb -0.03 -0.62 1.05 0.00 -1.46 0.00 0.00 42.92 41.85 3gj3 s ASP 171 CO 0.09 -0.40 1.73 -0.65 0.52 0.00 0.00 175.17 176.46 3gj3 h PRO 172 N 8.23 0.00 -0.43 4.34 0.11 -1.97 -2.62 132.00 139.67 3gj3 h PRO 172 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gj3 h PRO 172 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gj3 h PRO 172 CO 0.43 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.31 3gj3 n ASN 173 N -2.31 3.39 -4.77 -2.05 3.02 -1.26 -4.97 115.26 106.32 3gj3 n ASN 173 Ca 0.01 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 3gj3 n ASN 173 Cb 0.21 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 3gj3 n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gj3 s LEU 174 N -1.28 4.32 0.11 3.41 2.96 -0.99 -5.01 118.68 122.20 3gj3 s LEU 174 Ca 0.37 3.03 0.06 0.00 -0.22 0.00 0.00 54.13 57.37 3gj3 s LEU 174 Cb 0.21 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 3gj3 s LEU 174 CO 0.29 -0.92 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.64 3gj3 s GLU 175 N -1.32 0.97 -0.15 1.98 0.41 -1.26 -4.93 118.70 114.41 3gj3 s GLU 175 Ca 0.58 -1.15 -0.23 0.00 -0.41 0.00 0.00 54.97 53.76 3gj3 s GLU 175 Cb -0.48 -0.91 -0.03 0.00 -1.78 0.00 0.00 34.13 30.94 3gj3 s GLU 175 CO 0.56 0.18 0.71 -0.06 -0.49 0.00 0.00 175.26 176.17 3gj3 s PHE 176 N -1.84 3.46 -0.39 1.61 0.08 -1.26 -1.17 117.98 118.46 3gj3 s PHE 176 Ca 0.06 1.13 0.22 0.00 0.12 0.00 0.00 56.93 58.46 3gj3 s PHE 176 Cb -0.07 -2.86 0.27 0.00 -0.57 0.00 0.00 43.02 39.80 3gj3 s PHE 176 CO 0.03 -0.10 1.52 -0.39 -0.10 0.00 0.00 175.22 176.17 3gj3 h VAL 177 N 5.04 0.06 -2.23 -0.44 -1.51 -1.04 -3.46 116.25 112.66 3gj3 h VAL 177 Ca -0.34 -1.09 -0.05 0.00 -1.23 0.00 0.00 66.70 63.99 3gj3 h VAL 177 Cb 1.16 1.96 -0.18 0.00 -2.13 0.00 0.00 31.29 32.10 3gj3 h VAL 177 CO 0.79 0.03 0.18 0.00 -1.23 0.00 0.00 177.57 177.34 3gj3 s ALA 178 N -3.21 -1.71 0.32 5.19 0.00 -1.26 -5.11 121.76 115.99 3gj3 s ALA 178 Ca 0.06 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 3gj3 s ALA 178 Cb 0.06 0.18 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 3gj3 s ALA 178 CO 0.69 -0.45 0.97 1.41 0.00 0.00 0.00 175.76 178.38 3gj3 s MET 179 N -1.72 4.56 0.84 0.00 1.75 -1.26 -4.45 119.30 119.02 3gj3 s MET 179 Ca -0.09 1.39 -0.10 0.00 -1.25 0.00 0.00 55.69 55.64 3gj3 s MET 179 Cb -0.00 -2.83 0.10 0.00 2.84 0.00 0.00 34.83 34.94 3gj3 s MET 179 CO 0.05 0.24 1.11 -2.14 -0.65 0.00 0.00 175.02 173.64 3gj3 s PRO 180 N -2.00 1.64 -0.07 4.11 0.02 -1.26 -4.92 135.00 132.51 3gj3 s PRO 180 Ca 0.50 1.31 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 3gj3 s PRO 180 Cb -0.20 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 3gj3 s PRO 180 CO 0.26 -2.12 1.52 0.00 -0.33 0.00 0.00 177.00 176.33 3gj3 s ALA 181 N -2.79 3.63 0.12 -1.55 0.00 -1.26 -4.99 121.76 114.91 3gj3 s ALA 181 Ca 0.64 0.82 0.08 0.00 0.00 0.00 0.00 51.96 53.50 3gj3 s ALA 181 Cb -0.20 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3gj3 s ALA 181 CO 0.57 -1.27 -0.15 -0.51 0.00 0.00 0.00 175.76 174.39 3gj3 s LEU 182 N 3.66 2.82 0.21 0.00 1.43 -1.26 -2.08 118.68 123.46 3gj3 s LEU 182 Ca 0.68 -0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 52.94 3gj3 s LEU 182 Cb -0.30 -1.63 -0.14 0.00 0.03 0.00 0.00 46.19 44.14 3gj3 s LEU 182 CO 0.25 0.17 1.34 0.00 0.23 0.00 0.00 176.35 178.35 3gj3 n ALA 183 N 0.70 0.51 -1.72 4.21 0.00 0.39 -4.87 120.51 119.74 3gj3 n ALA 183 Ca -0.15 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 3gj3 n ALA 183 Cb 0.53 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 3gj3 n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gj3 n PRO 184 N 2.04 2.22 -1.59 0.00 -0.02 -1.26 -4.86 135.00 131.54 3gj3 n PRO 184 Ca 0.13 0.78 -0.45 0.00 -2.02 0.00 0.00 63.50 61.94 3gj3 n PRO 184 Cb 0.29 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 3gj3 n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gj3 n PRO 185 N 0.45 1.33 0.01 0.52 -0.02 -1.26 -4.89 135.00 131.14 3gj3 n PRO 185 Ca 0.04 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 3gj3 n PRO 185 Cb 0.37 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 3gj3 n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gj3 n GLU 186 N 0.96 0.64 -4.27 -0.52 1.02 0.11 -4.90 120.64 113.69 3gj3 n GLU 186 Ca 0.11 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 3gj3 n GLU 186 Cb 0.31 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 3gj3 n GLU 186 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gj3 s VAL 187 N -3.17 1.52 -0.01 2.62 -7.23 -1.18 -5.04 120.40 107.90 3gj3 s VAL 187 Ca -0.05 -1.72 -0.23 0.00 -1.81 0.00 0.00 61.98 58.16 3gj3 s VAL 187 Cb 0.10 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 3gj3 s VAL 187 CO 0.84 -0.32 0.71 -0.69 -0.31 0.00 0.00 175.10 175.33 3gj3 s VAL 188 N -1.91 4.91 -0.54 1.32 1.01 -1.26 -4.29 120.40 119.64 3gj3 s VAL 188 Ca 0.10 1.48 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 3gj3 s VAL 188 Cb -0.06 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.32 3gj3 s VAL 188 CO 0.04 0.32 0.77 -0.32 0.00 0.00 0.00 175.10 175.91 3gj3 s MET 189 N 0.30 3.19 -0.23 2.72 1.75 -1.26 -4.98 119.30 120.79 3gj3 s MET 189 Ca 0.37 -0.69 -0.37 0.00 -1.25 0.00 0.00 55.69 53.75 3gj3 s MET 189 Cb -0.19 -4.10 -0.13 0.00 2.84 0.00 0.00 34.83 33.25 3gj3 s MET 189 CO 0.20 -1.38 1.92 -3.47 -0.65 0.00 0.00 175.02 171.65 3gj3 n ASP 190 N 6.75 2.72 -0.28 1.11 2.03 -1.26 -4.84 116.55 122.78 3gj3 n ASP 190 Ca -0.04 0.85 0.01 0.00 0.52 0.00 0.00 54.79 56.13 3gj3 n ASP 190 Cb 0.46 -1.26 0.21 0.00 -0.72 0.00 0.00 41.12 39.81 3gj3 n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gj3 h PRO 191 N 9.45 1.07 -0.68 -0.67 0.11 -1.99 0.27 132.00 139.56 3gj3 h PRO 191 Ca -0.42 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3gj3 h PRO 191 Cb 1.30 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3gj3 h PRO 191 CO 0.97 0.71 0.45 0.00 -0.21 0.00 0.00 178.00 179.92 3gj3 h ALA 192 N 1.49 0.86 -0.68 -0.75 0.00 -1.99 0.21 119.26 118.39 3gj3 h ALA 192 Ca 0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3gj3 h ALA 192 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3gj3 h ALA 192 CO -0.09 0.28 0.14 1.25 0.00 0.00 0.00 179.25 180.83 3gj3 h LEU 193 N 0.92 1.06 -0.43 0.00 5.85 -1.57 -0.36 115.31 120.78 3gj3 h LEU 193 Ca 0.25 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3gj3 h LEU 193 Cb -0.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 3gj3 h LEU 193 CO -0.06 1.03 0.20 0.00 -0.34 0.00 0.00 178.44 179.27 3gj3 h ALA 194 N 1.09 0.55 -0.63 1.25 0.00 -0.58 -0.02 119.26 120.94 3gj3 h ALA 194 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gj3 h ALA 194 Cb 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3gj3 h ALA 194 CO 0.01 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.79 3gj3 h ALA 195 N 1.05 0.79 -0.14 0.00 0.00 -0.62 -0.06 119.26 120.28 3gj3 h ALA 195 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gj3 h ALA 195 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gj3 h ALA 195 CO -0.02 0.23 0.06 0.37 0.00 0.00 0.00 179.25 179.89 3gj3 h GLN 196 N 0.85 0.21 -0.66 0.00 5.75 -0.81 -1.34 115.11 119.10 3gj3 h GLN 196 Ca 0.23 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.71 3gj3 h GLN 196 Cb -0.09 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3gj3 h GLN 196 CO -0.05 0.30 0.43 1.88 -2.65 0.00 0.00 178.83 178.73 3gj3 h TYR 197 N 0.07 0.81 -0.73 3.99 0.05 -0.66 0.27 116.97 120.77 3gj3 h TYR 197 Ca 0.05 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3gj3 h TYR 197 Cb 0.16 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 3gj3 h TYR 197 CO -0.02 0.49 0.33 0.93 -1.05 0.00 0.00 178.16 178.85 3gj3 h GLU 198 N 0.86 1.07 -0.09 4.88 5.08 -0.93 -0.65 114.58 124.81 3gj3 h GLU 198 Ca 0.25 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3gj3 h GLU 198 Cb -0.06 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 3gj3 h GLU 198 CO -0.07 0.85 0.05 1.25 -1.00 0.00 0.00 179.01 180.09 3gj3 h HIS 199 N 1.03 0.12 -0.90 4.33 2.76 -0.50 -1.83 115.15 120.16 3gj3 h HIS 199 Ca 0.25 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.51 3gj3 h HIS 199 Cb 0.15 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.01 3gj3 h HIS 199 CO 0.01 0.16 0.58 -0.44 -1.30 0.00 0.00 177.93 176.94 3gj3 h ASP 200 N 0.05 0.81 -0.49 3.26 3.32 -0.12 -0.83 116.42 122.42 3gj3 h ASP 200 Ca 0.03 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3gj3 h ASP 200 Cb 0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3gj3 h ASP 200 CO -0.00 0.47 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.76 3gj3 h LEU 201 N 0.89 0.98 0.14 1.55 3.38 -0.82 -1.29 115.31 120.14 3gj3 h LEU 201 Ca 0.42 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3gj3 h LEU 201 Cb 0.41 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gj3 h LEU 201 CO -0.18 1.13 -0.07 -0.33 0.09 0.00 0.00 178.44 179.08 3gj3 h GLU 202 N 0.82 -0.19 -0.60 1.13 5.08 -0.49 -1.51 114.58 118.82 3gj3 h GLU 202 Ca 0.12 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3gj3 h GLU 202 Cb 0.72 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 3gj3 h GLU 202 CO 0.06 -0.13 0.26 0.28 -1.00 0.00 0.00 179.01 178.48 3gj3 h VAL 203 N -0.20 0.83 -0.68 3.13 2.07 -1.12 -1.60 116.25 118.68 3gj3 h VAL 203 Ca -0.02 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3gj3 h VAL 203 Cb 0.16 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3gj3 h VAL 203 CO 0.02 0.09 0.41 0.00 0.02 0.00 0.00 177.57 178.11 3gj3 h ALA 204 N 1.38 1.44 0.00 1.67 0.00 -0.93 -1.66 119.26 121.17 3gj3 h ALA 204 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gj3 h ALA 204 Cb 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gj3 h ALA 204 CO -0.26 0.48 0.00 0.94 0.00 0.00 0.00 179.25 180.41 3gj3 n GLN 205 N -4.40 0.17 -1.21 0.00 -0.06 -0.59 -2.36 117.38 108.93 3gj3 n GLN 205 Ca 0.07 0.16 -0.23 0.00 -2.00 0.00 0.00 57.00 55.00 3gj3 n GLN 205 Cb 0.07 -1.50 0.18 0.00 -4.06 0.00 0.00 30.24 24.93 3gj3 n GLN 205 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3gj3 n THR 206 N -1.33 3.19 -0.59 1.69 -2.24 -0.62 -5.10 114.28 109.27 3gj3 n THR 206 Ca 0.07 -1.98 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 3gj3 n THR 206 Cb 0.14 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3gj3 n THR 206 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91