#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj0 s VAL 9 N 0.00 5.16 0.02 5.09 1.01 -1.26 -5.04 120.40 125.38 3gj0 s VAL 9 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.86 3gj0 s VAL 9 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3gj0 s VAL 9 CO 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 175.10 174.30 3gj0 s GLN 10 N 1.79 0.53 -0.06 2.72 -2.07 -1.26 -1.53 119.66 119.78 3gj0 s GLN 10 Ca 0.05 -0.47 0.04 0.00 -1.82 0.00 0.00 55.36 53.16 3gj0 s GLN 10 Cb -0.26 -0.44 0.00 0.00 -1.09 0.00 0.00 33.01 31.23 3gj0 s GLN 10 CO 0.06 0.11 -0.17 -0.06 -1.32 0.00 0.00 175.29 173.91 3gj0 s PHE 11 N -0.68 1.78 -0.25 9.60 0.08 0.23 -4.98 117.98 123.77 3gj0 s PHE 11 Ca -0.02 -0.60 -0.27 0.00 0.12 0.00 0.00 56.93 56.16 3gj0 s PHE 11 Cb -0.06 -1.22 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 3gj0 s PHE 11 CO 0.00 -0.24 0.96 0.21 -0.10 0.00 0.00 175.22 176.04 3gj0 s LYS 12 N 0.28 4.19 -0.18 0.44 2.20 -1.26 -0.40 119.74 125.01 3gj0 s LYS 12 Ca -0.10 1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.63 3gj0 s LYS 12 Cb -0.14 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3gj0 s LYS 12 CO 0.04 -0.63 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.13 3gj0 s LEU 13 N 3.11 2.69 -0.20 5.43 0.20 -0.38 -0.63 118.68 128.90 3gj0 s LEU 13 Ca 0.40 -0.41 -0.12 0.00 0.69 0.00 0.00 54.13 54.69 3gj0 s LEU 13 Cb -0.15 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 3gj0 s LEU 13 CO 0.08 0.05 0.20 0.68 -0.29 0.00 0.00 176.35 177.07 3gj0 s VAL 14 N 1.01 5.36 -0.35 1.68 -7.23 -0.76 -0.60 120.40 119.51 3gj0 s VAL 14 Ca -0.01 0.32 -0.08 0.00 -1.81 0.00 0.00 61.98 60.41 3gj0 s VAL 14 Cb -0.15 -3.54 0.04 0.00 0.56 0.00 0.00 36.38 33.29 3gj0 s VAL 14 CO -0.01 0.40 0.13 -0.22 -0.31 0.00 0.00 175.10 175.08 3gj0 s LEU 15 N 0.58 4.40 0.27 1.32 2.96 -1.09 -1.56 118.68 125.56 3gj0 s LEU 15 Ca 0.11 -1.09 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 3gj0 s LEU 15 Cb -0.12 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 3gj0 s LEU 15 CO 0.01 -0.34 0.01 0.68 -1.32 0.00 0.00 176.35 175.40 3gj0 s VAL 16 N 1.44 1.17 0.00 1.68 -7.23 -0.31 -4.58 120.40 112.57 3gj0 s VAL 16 Ca -0.01 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3gj0 s VAL 16 Cb -0.19 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.24 3gj0 s VAL 16 CO 0.04 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3gj0 n GLY 17 N -0.53 3.12 3.72 2.32 0.00 -1.26 -0.64 105.19 111.92 3gj0 n GLY 17 Ca -0.04 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3gj0 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj0 n ASP 18 N 0.00 2.25 -4.61 1.61 9.92 -1.26 -4.92 116.55 119.55 3gj0 n ASP 18 Ca 0.00 0.92 -0.42 0.00 -0.53 0.00 0.00 54.79 54.76 3gj0 n ASP 18 Cb 0.00 -1.54 0.01 0.00 -0.64 0.00 0.00 41.12 38.95 3gj0 n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gj0 n GLY 19 N 0.88 -0.24 2.41 0.44 0.00 -1.26 -2.58 105.19 104.84 3gj0 n GLY 19 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3gj0 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj0 n GLY 20 N 1.20 0.72 0.11 -0.02 0.00 -1.26 -4.90 105.19 101.04 3gj0 n GLY 20 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3gj0 n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gj0 h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.86 -3.47 112.91 111.54 3gj0 h THR 21 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3gj0 h THR 21 Cb 0.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3gj0 h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gj0 n GLY 22 N 1.29 1.51 0.05 5.82 0.00 -1.26 -4.62 105.19 107.98 3gj0 n GLY 22 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3gj0 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gj0 h LYS 23 N 0.00 0.04 -0.38 1.61 1.57 -1.91 0.14 116.57 117.63 3gj0 h LYS 23 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3gj0 h LYS 23 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3gj0 h LYS 23 CO 0.00 0.05 0.02 1.15 -0.57 0.00 0.00 179.45 180.11 3gj0 h THR 24 N 0.01 1.25 -1.00 -0.16 2.02 -1.95 -1.19 112.91 111.89 3gj0 h THR 24 Ca 0.01 -0.94 0.09 0.00 0.77 0.00 0.00 66.41 66.34 3gj0 h THR 24 Cb 0.03 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 3gj0 h THR 24 CO -0.00 0.32 0.64 0.74 0.37 0.00 0.00 175.52 177.58 3gj0 h THR 25 N 0.48 1.01 0.30 3.16 2.02 -1.95 -1.38 112.91 116.56 3gj0 h THR 25 Ca 0.11 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3gj0 h THR 25 Cb 0.43 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3gj0 h THR 25 CO 0.01 0.20 -0.14 0.15 0.37 0.00 0.00 175.52 176.11 3gj0 h PHE 26 N 1.08 -0.37 -0.20 3.16 3.57 -0.60 -3.21 116.94 120.37 3gj0 h PHE 26 Ca 0.46 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 3gj0 h PHE 26 Cb 0.32 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3gj0 h PHE 26 CO -0.00 -0.04 -0.03 -0.24 -2.23 0.00 0.00 178.31 175.77 3gj0 h VAL 27 N -0.77 1.15 0.00 1.41 3.04 -1.05 -2.04 116.25 117.98 3gj0 h VAL 27 Ca -0.04 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3gj0 h VAL 27 Cb 0.50 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3gj0 h VAL 27 CO 0.07 0.19 0.00 0.11 -1.01 0.00 0.00 177.57 176.93 3gj0 h LYS 28 N 0.29 0.00 -0.31 4.17 1.57 -1.26 -3.05 116.57 117.99 3gj0 h LYS 28 Ca 0.07 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3gj0 h LYS 28 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3gj0 h LYS 28 CO 0.01 0.00 0.21 0.00 -0.57 0.00 0.00 179.45 179.09 3gj0 h ARG 29 N 0.00 0.28 -6.61 3.15 2.47 -1.37 -3.38 114.38 108.92 3gj0 h ARG 29 Ca 0.00 -0.02 -0.56 0.00 -1.26 0.00 0.00 59.98 58.15 3gj0 h ARG 29 Cb 0.19 -0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 28.38 3gj0 h ARG 29 CO 0.00 0.19 0.99 -1.58 0.56 0.00 0.00 179.97 180.12 3gj0 s HIS 30 N -5.29 2.62 0.15 3.04 2.46 -1.16 -0.71 115.29 116.41 3gj0 s HIS 30 Ca -0.07 0.59 -0.13 0.00 0.47 0.00 0.00 55.06 55.92 3gj0 s HIS 30 Cb 0.18 -4.44 0.02 0.00 -0.13 0.00 0.00 32.58 28.20 3gj0 s HIS 30 CO 0.71 -1.56 1.62 -0.07 -2.47 0.00 0.00 174.74 172.97 3gj0 h LEU 31 N 11.81 0.80 -0.70 8.88 3.38 -1.57 -2.01 115.31 135.89 3gj0 h LEU 31 Ca -0.25 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 3gj0 h LEU 31 Cb 1.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3gj0 h LEU 31 CO 1.15 0.87 -0.46 0.74 0.09 0.00 0.00 178.44 180.82 3gj0 h THR 32 N 0.69 1.32 0.00 0.22 2.02 -1.91 -1.70 112.91 113.55 3gj0 h THR 32 Ca 0.15 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 3gj0 h THR 32 Cb 0.43 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3gj0 h THR 32 CO 0.01 0.51 -0.14 1.23 0.37 0.00 0.00 175.52 177.50 3gj0 h GLY 33 N 1.16 0.00 0.62 2.16 0.00 -1.63 -0.73 103.07 104.65 3gj0 h GLY 33 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3gj0 h GLY 33 CO 0.08 0.00 -0.57 -2.09 0.00 0.00 0.00 176.54 173.96 3gj0 h GLU 34 N 0.00 0.29 -0.94 4.80 4.57 -0.89 -2.60 114.58 119.81 3gj0 h GLU 34 Ca -0.00 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 57.86 3gj0 h GLU 34 Cb 0.26 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.92 3gj0 h GLU 34 CO 0.02 1.12 0.61 0.35 -1.18 0.00 0.00 179.01 179.93 3gj0 h PHE 35 N -0.36 1.09 -0.61 0.92 3.57 -1.04 -2.94 116.94 117.57 3gj0 h PHE 35 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3gj0 h PHE 35 Cb 1.37 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3gj0 h PHE 35 CO 0.19 0.56 0.00 0.39 -2.23 0.00 0.00 178.31 177.21 3gj0 n GLU 36 N -4.50 3.15 -2.03 1.11 1.02 -0.30 -5.00 120.64 114.08 3gj0 n GLU 36 Ca 0.14 -2.66 -0.37 0.00 -0.02 0.00 0.00 57.16 54.26 3gj0 n GLU 36 Cb 0.21 -1.65 0.02 0.00 -0.02 0.00 0.00 31.44 30.00 3gj0 n GLU 36 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3gj0 s LYS 37 N -1.41 3.20 -0.20 3.49 -2.85 -0.98 -4.65 119.74 116.34 3gj0 s LYS 37 Ca 0.45 1.89 -0.03 0.00 -1.00 0.00 0.00 55.97 57.28 3gj0 s LYS 37 Cb 0.26 -2.11 -0.01 0.00 -2.06 0.00 0.00 37.83 33.92 3gj0 s LYS 37 CO 0.26 -1.04 -0.06 0.15 0.10 0.00 0.00 175.35 174.75 3gj0 s LYS 38 N -3.10 3.37 -0.09 1.78 -0.14 0.31 -4.92 119.74 116.96 3gj0 s LYS 38 Ca 0.73 -0.64 -0.22 0.00 -1.36 0.00 0.00 55.97 54.48 3gj0 s LYS 38 Cb -0.32 -2.93 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 3gj0 s LYS 38 CO 0.36 -0.12 0.65 -0.47 -0.76 0.00 0.00 175.35 175.02 3gj0 s TYR 39 N 1.25 3.54 -0.27 3.18 5.04 -1.26 -0.55 117.35 128.28 3gj0 s TYR 39 Ca 0.03 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 55.82 3gj0 s TYR 39 Cb -0.14 -2.76 0.06 0.00 0.35 0.00 0.00 41.96 39.46 3gj0 s TYR 39 CO -0.02 0.06 -0.07 0.08 -1.34 0.00 0.00 175.55 174.26 3gj0 s VAL 40 N 0.93 2.46 0.12 3.14 1.01 -0.47 -5.01 120.40 122.58 3gj0 s VAL 40 Ca 0.34 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 3gj0 s VAL 40 Cb -0.17 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3gj0 s VAL 40 CO 0.15 -0.05 1.74 0.00 0.00 0.00 0.00 175.10 176.94 3gj0 h ALA 41 N 7.85 0.30 -0.31 5.51 0.00 -1.96 -1.34 119.26 129.31 3gj0 h ALA 41 Ca -0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gj0 h ALA 41 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3gj0 h ALA 41 CO 0.49 -0.19 0.20 1.79 0.00 0.00 0.00 179.25 181.54 3gj0 h THR 42 N 0.28 1.05 -0.00 0.00 1.35 -1.97 -2.69 112.91 110.93 3gj0 h THR 42 Ca 0.08 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3gj0 h THR 42 Cb 0.03 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 3gj0 h THR 42 CO -0.01 0.07 -0.91 0.18 -0.25 0.00 0.00 175.52 174.60 3gj0 n LEU 43 N -4.49 1.10 -3.74 3.87 4.77 -1.04 -4.99 117.00 112.49 3gj0 n LEU 43 Ca 0.02 -0.51 -0.26 0.00 -0.03 0.00 0.00 56.01 55.23 3gj0 n LEU 43 Cb 0.10 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3gj0 n LEU 43 CO 0.35 0.26 -0.11 0.61 -1.33 0.00 0.00 177.39 177.17 3gj0 n GLY 44 N 1.49 -0.61 3.03 -0.72 0.00 -0.53 -4.93 105.19 102.91 3gj0 n GLY 44 Ca 0.05 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 3gj0 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj0 s VAL 45 N -3.65 0.23 -0.18 1.61 0.11 -1.17 -1.81 120.40 115.54 3gj0 s VAL 45 Ca 0.23 -1.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 3gj0 s VAL 45 Cb -0.07 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 3gj0 s VAL 45 CO 0.85 -0.61 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.26 3gj0 s GLU 46 N -2.15 3.18 -0.30 1.54 2.02 -0.18 -1.37 118.70 121.44 3gj0 s GLU 46 Ca -0.09 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.05 3gj0 s GLU 46 Cb -0.05 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 3gj0 s GLU 46 CO -0.03 -0.12 0.20 0.08 0.02 0.00 0.00 175.26 175.41 3gj0 s VAL 47 N 1.16 5.24 -0.26 2.63 1.01 0.29 -1.39 120.40 129.08 3gj0 s VAL 47 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 3gj0 s VAL 47 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3gj0 s VAL 47 CO -0.05 0.15 0.12 -1.00 0.00 0.00 0.00 175.10 174.32 3gj0 s HIS 48 N 1.74 3.14 -0.72 5.22 3.76 -0.12 -0.53 115.29 127.78 3gj0 s HIS 48 Ca 0.07 -0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 54.55 3gj0 s HIS 48 Cb -0.17 -2.30 0.06 0.00 1.11 0.00 0.00 32.58 31.29 3gj0 s HIS 48 CO 0.10 -0.27 1.10 -1.25 -0.85 0.00 0.00 174.74 173.57 3gj0 s PRO 49 N 1.67 3.19 -0.50 8.40 0.04 -1.26 -0.73 135.00 145.82 3gj0 s PRO 49 Ca 0.07 -0.72 -0.18 0.00 0.04 0.00 0.00 61.00 60.20 3gj0 s PRO 49 Cb -0.15 -4.32 0.07 0.00 0.04 0.00 0.00 34.50 30.13 3gj0 s PRO 49 CO 0.07 -1.94 0.55 -0.51 0.04 0.00 0.00 177.00 175.21 3gj0 s LEU 50 N 4.55 5.22 0.07 -3.56 1.02 0.10 -4.00 118.68 122.08 3gj0 s LEU 50 Ca 0.28 -1.08 -0.26 0.00 0.02 0.00 0.00 54.13 53.08 3gj0 s LEU 50 Cb -0.12 -2.35 -0.06 0.00 0.02 0.00 0.00 46.19 43.68 3gj0 s LEU 50 CO 0.09 -0.82 0.82 -0.69 0.02 0.00 0.00 176.35 175.78 3gj0 s VAL 51 N 2.29 4.65 0.02 -1.59 1.01 -1.26 -0.83 120.40 124.68 3gj0 s VAL 51 Ca 0.11 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.93 3gj0 s VAL 51 Cb -0.21 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3gj0 s VAL 51 CO 0.10 0.36 -0.22 -0.36 0.00 0.00 0.00 175.10 174.97 3gj0 s PHE 52 N -0.09 1.96 -0.30 5.22 0.40 -0.14 -4.85 117.98 120.17 3gj0 s PHE 52 Ca 0.41 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 3gj0 s PHE 52 Cb -0.21 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 3gj0 s PHE 52 CO 0.25 0.05 0.15 -1.01 0.70 0.00 0.00 175.22 175.36 3gj0 s HIS 53 N -0.69 3.17 0.40 0.36 3.76 -1.26 -1.02 115.29 120.01 3gj0 s HIS 53 Ca 0.09 -0.49 0.08 0.00 -0.15 0.00 0.00 55.06 54.58 3gj0 s HIS 53 Cb -0.09 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 3gj0 s HIS 53 CO 0.01 -0.42 0.26 0.95 -0.85 0.00 0.00 174.74 174.68 3gj0 s THR 54 N 1.63 2.63 -2.00 1.30 -4.23 -0.64 -0.64 115.64 113.69 3gj0 s THR 54 Ca 0.05 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3gj0 s THR 54 Cb -0.17 -3.01 0.24 0.00 1.34 0.00 0.00 72.50 70.90 3gj0 s THR 54 CO 0.07 -0.04 1.10 -0.46 -0.54 0.00 0.00 174.62 174.75 3gj0 n ASN 55 N -1.35 0.00 -0.06 3.99 6.94 -0.10 -1.76 115.26 122.92 3gj0 n ASN 55 Ca 0.00 -1.21 0.01 0.00 -0.02 0.00 0.00 54.58 53.36 3gj0 n ASN 55 Cb 0.63 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.06 3gj0 n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gj0 n ARG 56 N -0.68 2.98 0.00 -3.83 5.12 -1.26 -4.98 116.66 114.00 3gj0 n ARG 56 Ca 0.06 -1.56 0.00 0.00 -1.93 0.00 0.00 57.85 54.42 3gj0 n ARG 56 Cb 0.03 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3gj0 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gj0 n GLY 57 N -0.42 1.07 3.78 -0.13 0.00 -0.73 -5.03 105.19 103.73 3gj0 n GLY 57 Ca 0.01 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 3gj0 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gj0 s PRO 58 N -1.28 4.04 0.12 1.61 0.04 -1.26 -1.61 135.00 136.65 3gj0 s PRO 58 Ca 0.00 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.74 3gj0 s PRO 58 Cb 0.00 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 3gj0 s PRO 58 CO 0.00 -0.28 -0.09 0.96 0.04 0.00 0.00 177.00 177.63 3gj0 s ILE 59 N -1.56 0.92 -0.06 0.56 -4.36 -0.19 -4.57 121.20 111.95 3gj0 s ILE 59 Ca 0.59 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3gj0 s ILE 59 Cb -0.26 -1.66 0.02 0.00 1.25 0.00 0.00 42.46 41.82 3gj0 s ILE 59 CO 0.32 -0.75 -0.05 -0.75 0.24 0.00 0.00 174.94 173.96 3gj0 s LYS 60 N -3.53 0.96 -0.36 0.37 2.20 -0.58 -0.97 119.74 117.82 3gj0 s LYS 60 Ca 0.12 -0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.48 3gj0 s LYS 60 Cb 0.02 -1.02 -0.01 0.00 -1.51 0.00 0.00 37.83 35.32 3gj0 s LYS 60 CO -0.02 -0.14 0.28 -0.06 -0.36 0.00 0.00 175.35 175.05 3gj0 s PHE 61 N 1.22 3.23 -0.62 4.03 0.08 -0.01 -0.60 117.98 125.31 3gj0 s PHE 61 Ca -0.06 -0.25 -0.24 0.00 0.12 0.00 0.00 56.93 56.51 3gj0 s PHE 61 Cb -0.14 -2.55 0.05 0.00 -0.57 0.00 0.00 43.02 39.82 3gj0 s PHE 61 CO -0.02 -0.42 0.98 -0.80 -0.10 0.00 0.00 175.22 174.86 3gj0 s ASN 62 N 1.72 6.25 -0.25 1.36 0.02 0.47 -0.72 114.94 123.78 3gj0 s ASN 62 Ca 0.07 -0.65 -0.20 0.00 -1.02 0.00 0.00 52.86 51.06 3gj0 s ASN 62 Cb -0.18 -2.44 -0.02 0.00 0.02 0.00 0.00 41.25 38.63 3gj0 s ASN 62 CO 0.11 -1.38 0.60 -0.69 0.02 0.00 0.00 177.10 175.75 3gj0 s VAL 63 N 4.17 5.01 -0.43 1.60 1.01 0.09 -1.26 120.40 130.60 3gj0 s VAL 63 Ca 0.27 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.09 3gj0 s VAL 63 Cb -0.14 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.36 3gj0 s VAL 63 CO 0.15 0.06 0.73 0.26 0.00 0.00 0.00 175.10 176.29 3gj0 s TRP 64 N 2.37 3.04 -0.19 5.22 0.52 0.23 -0.95 118.94 129.18 3gj0 s TRP 64 Ca 0.25 0.17 -0.05 0.00 0.02 0.00 0.00 56.10 56.49 3gj0 s TRP 64 Cb -0.16 -3.48 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 3gj0 s TRP 64 CO 0.09 -0.88 -0.01 0.34 0.02 0.00 0.00 176.95 176.51 3gj0 s ASP 65 N 2.03 4.80 0.62 2.95 2.15 -0.49 -2.66 116.67 126.08 3gj0 s ASP 65 Ca 0.27 -0.20 -0.18 0.00 0.43 0.00 0.00 52.55 52.88 3gj0 s ASP 65 Cb -0.13 -1.82 -0.02 0.00 -0.30 0.00 0.00 42.92 40.65 3gj0 s ASP 65 CO 0.20 0.07 1.20 0.42 -0.17 0.00 0.00 175.17 176.89 3gj0 s THR 66 N 0.93 2.65 -0.46 1.71 -4.23 -1.26 -1.01 115.64 113.97 3gj0 s THR 66 Ca 0.01 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3gj0 s THR 66 Cb -0.14 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.66 3gj0 s THR 66 CO 0.02 -0.11 0.82 0.00 -0.54 0.00 0.00 174.62 174.81 3gj0 n ALA 67 N -1.86 2.62 -0.68 3.99 0.00 -0.75 -4.78 120.51 119.06 3gj0 n ALA 67 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gj0 n ALA 67 Cb 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3gj0 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj0 n GLY 68 N 0.24 0.88 3.35 0.00 0.00 -1.26 -5.07 105.19 103.32 3gj0 n GLY 68 Ca 0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3gj0 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gj0 s LEU 75 N -1.27 0.21 0.49 0.99 1.43 -1.26 -4.97 118.68 114.30 3gj0 s LEU 75 Ca 0.00 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3gj0 s LEU 75 Cb 0.00 1.90 -0.01 0.00 0.03 0.00 0.00 46.19 48.11 3gj0 s LEU 75 CO 0.00 -0.70 0.75 -0.13 0.23 0.00 0.00 176.35 176.50 3gj0 s ARG 76 N -2.55 3.19 0.21 1.70 0.52 -1.26 -5.00 118.95 115.76 3gj0 s ARG 76 Ca -0.05 -0.16 -0.10 0.00 -0.52 0.00 0.00 55.73 54.91 3gj0 s ARG 76 Cb -0.01 -2.44 0.29 0.00 0.52 0.00 0.00 34.95 33.31 3gj0 s ARG 76 CO -0.03 -0.33 1.71 -0.44 0.02 0.00 0.00 175.30 176.23 3gj0 h ASP 77 N 0.23 0.05 -0.01 0.23 5.19 -2.02 -1.46 116.42 118.62 3gj0 h ASP 77 Ca -0.46 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 3gj0 h ASP 77 Cb 1.24 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.88 3gj0 h ASP 77 CO 0.60 0.03 0.01 1.23 -3.12 0.00 0.00 179.24 177.99 3gj0 h GLY 78 N 0.29 0.00 0.76 2.75 0.00 -1.96 0.24 103.07 105.16 3gj0 h GLY 78 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 3gj0 h GLY 78 CO -0.38 0.00 -0.28 -1.82 0.00 0.00 0.00 176.54 174.06 3gj0 h TYR 79 N 0.00 0.52 0.00 5.60 5.03 -1.63 -3.35 116.97 123.14 3gj0 h TYR 79 Ca 0.00 -0.20 -0.14 0.00 2.58 0.00 0.00 58.73 60.98 3gj0 h TYR 79 Cb 0.02 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 3gj0 h TYR 79 CO 0.00 0.90 -0.83 1.88 -1.32 0.00 0.00 178.16 178.79 3gj0 h TYR 80 N 0.00 0.00 -2.19 -3.82 0.05 -0.92 -3.47 116.97 106.63 3gj0 h TYR 80 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 3gj0 h TYR 80 Cb 0.88 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.68 3gj0 h TYR 80 CO 0.10 0.61 0.64 1.51 -1.05 0.00 0.00 178.16 179.97 3gj0 n ILE 81 N -3.16 0.26 -1.36 -2.88 0.13 0.68 -1.48 119.36 111.56 3gj0 n ILE 81 Ca -0.02 -0.07 -0.12 0.00 -1.10 0.00 0.00 62.75 61.44 3gj0 n ILE 81 Cb 0.80 -1.30 -0.05 0.00 -0.84 0.00 0.00 39.64 38.25 3gj0 n ILE 81 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3gj0 n GLN 82 N 2.79 -0.99 -2.02 9.51 6.02 -1.26 -4.97 117.38 126.46 3gj0 n GLN 82 Ca 0.16 0.92 -0.38 0.00 -0.01 0.00 0.00 57.00 57.70 3gj0 n GLN 82 Cb 0.27 -5.00 0.02 0.00 1.02 0.00 0.00 30.24 26.55 3gj0 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj0 s ALA 83 N -2.40 2.86 -0.18 -1.58 0.00 -0.55 -4.68 121.76 115.23 3gj0 s ALA 83 Ca 0.00 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.14 3gj0 s ALA 83 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 3gj0 s ALA 83 CO 0.00 -1.03 0.20 1.04 0.00 0.00 0.00 175.76 175.97 3gj0 n GLN 84 N -0.84 3.34 -3.78 0.00 6.02 0.20 -4.98 117.38 117.34 3gj0 n GLN 84 Ca 0.09 -0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 57.02 3gj0 n GLN 84 Cb 0.47 -0.90 -0.02 0.00 1.02 0.00 0.00 30.24 30.81 3gj0 n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj0 s ALA 86 N -3.44 -1.03 -0.11 0.00 0.00 -0.54 -1.84 121.76 114.79 3gj0 s ALA 86 Ca 0.12 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3gj0 s ALA 86 Cb -0.03 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3gj0 s ALA 86 CO 0.03 -0.45 -0.21 0.42 0.00 0.00 0.00 175.76 175.55 3gj0 s ILE 87 N -2.43 1.92 -0.22 0.00 1.01 -0.60 -1.43 121.20 119.44 3gj0 s ILE 87 Ca -0.06 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 3gj0 s ILE 87 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3gj0 s ILE 87 CO -0.02 0.53 0.09 -0.63 0.00 0.00 0.00 174.94 174.91 3gj0 s ILE 88 N 0.64 4.74 -0.07 2.92 1.01 -0.34 -1.16 121.20 128.93 3gj0 s ILE 88 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3gj0 s ILE 88 Cb -0.16 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3gj0 s ILE 88 CO 0.03 0.38 -0.06 -0.32 0.00 0.00 0.00 174.94 174.97 3gj0 s MET 89 N 1.05 2.82 0.42 2.79 1.75 0.19 -0.91 119.30 127.41 3gj0 s MET 89 Ca 0.05 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 53.99 3gj0 s MET 89 Cb -0.14 -2.63 -0.02 0.00 2.84 0.00 0.00 34.83 34.88 3gj0 s MET 89 CO 0.03 0.64 0.13 -0.59 -0.65 0.00 0.00 175.02 174.59 3gj0 s PHE 90 N -0.75 1.79 -0.19 4.11 -0.71 -0.28 -4.05 117.98 117.90 3gj0 s PHE 90 Ca 0.11 -1.28 -0.00 0.00 -1.04 0.00 0.00 56.93 54.72 3gj0 s PHE 90 Cb -0.11 -1.18 0.01 0.00 -1.21 0.00 0.00 43.02 40.53 3gj0 s PHE 90 CO 0.02 -0.28 -0.15 0.34 -1.34 0.00 0.00 175.22 173.81 3gj0 s ASP 91 N -3.62 3.55 0.00 1.98 -1.08 -1.26 -0.53 116.67 115.71 3gj0 s ASP 91 Ca 0.23 -0.54 0.18 0.00 -0.52 0.00 0.00 52.55 51.89 3gj0 s ASP 91 Cb 0.02 -1.57 0.88 0.00 -1.46 0.00 0.00 42.92 40.79 3gj0 s ASP 91 CO 0.14 0.01 1.54 1.33 0.52 0.00 0.00 175.17 178.71 3gj0 n VAL 92 N 4.55 0.52 1.21 1.11 0.24 -0.32 -1.62 118.33 124.02 3gj0 n VAL 92 Ca -0.20 0.13 0.13 0.00 -2.04 0.00 0.00 64.34 62.36 3gj0 n VAL 92 Cb 0.51 -0.83 0.27 0.00 -1.47 0.00 0.00 33.84 32.32 3gj0 n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gj0 n THR 93 N -1.32 0.00 -3.68 3.34 -2.24 -1.26 -0.70 114.28 108.42 3gj0 n THR 93 Ca 0.08 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 3gj0 n THR 93 Cb 0.15 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 3gj0 n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gj0 s SER 94 N -2.06 3.90 0.34 3.42 0.15 -0.64 -4.74 113.70 114.07 3gj0 s SER 94 Ca 0.31 -1.54 0.07 0.00 0.70 0.00 0.00 55.95 55.49 3gj0 s SER 94 Cb 0.20 -0.73 0.75 0.00 -1.71 0.00 0.00 66.02 64.53 3gj0 s SER 94 CO 0.35 -0.42 1.87 0.03 1.20 0.00 0.00 173.24 176.27 3gj0 h ARG 95 N 8.17 0.75 -0.17 5.44 3.08 -1.87 -1.68 114.38 128.10 3gj0 h ARG 95 Ca -0.15 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3gj0 h ARG 95 Cb 1.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3gj0 h ARG 95 CO 0.46 0.49 0.00 -0.24 -1.07 0.00 0.00 179.97 179.62 3gj0 h VAL 96 N 0.77 1.11 -0.12 2.04 3.04 -1.95 -1.04 116.25 120.10 3gj0 h VAL 96 Ca 0.44 -0.41 -0.10 0.00 -1.01 0.00 0.00 66.70 65.61 3gj0 h VAL 96 Cb 0.61 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 3gj0 h VAL 96 CO -0.20 0.14 -0.38 0.71 -1.01 0.00 0.00 177.57 176.83 3gj0 h THR 97 N 0.24 1.30 -0.21 3.17 1.35 -1.61 -1.40 112.91 115.74 3gj0 h THR 97 Ca 0.06 -1.45 -0.11 0.00 -0.55 0.00 0.00 66.41 64.36 3gj0 h THR 97 Cb 0.16 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3gj0 h THR 97 CO 0.00 0.43 -0.31 0.22 -0.25 0.00 0.00 175.52 175.62 3gj0 h TYR 98 N 0.22 0.72 -0.11 4.73 3.20 -1.31 -3.10 116.97 121.32 3gj0 h TYR 98 Ca 0.02 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 61.69 3gj0 h TYR 98 Cb 0.77 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 3gj0 h TYR 98 CO 0.01 0.97 0.09 0.87 -1.64 0.00 0.00 178.16 178.46 3gj0 h LYS 99 N 0.27 0.00 0.00 1.82 1.57 -0.90 -1.40 116.57 117.93 3gj0 h LYS 99 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gj0 h LYS 99 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3gj0 h LYS 99 CO 0.07 0.00 -0.15 0.09 -0.57 0.00 0.00 179.45 178.89 3gj0 n ASN 100 N -4.21 0.19 -0.22 0.86 3.02 -0.56 -4.15 115.26 110.19 3gj0 n ASN 100 Ca -0.00 0.28 0.02 0.00 -0.03 0.00 0.00 54.58 54.85 3gj0 n ASN 100 Cb 0.21 -0.28 0.14 0.00 -0.61 0.00 0.00 39.78 39.23 3gj0 n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gj0 h VAL 101 N 0.00 0.66 -0.08 2.41 2.07 -1.18 -0.72 116.25 119.40 3gj0 h VAL 101 Ca 0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3gj0 h VAL 101 Cb 0.51 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3gj0 h VAL 101 CO 0.00 0.06 0.03 -0.65 0.02 0.00 0.00 177.57 177.03 3gj0 h PRO 102 N 0.35 0.11 -0.34 1.57 0.11 -1.78 -0.53 132.00 131.48 3gj0 h PRO 102 Ca 0.35 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 3gj0 h PRO 102 Cb 0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3gj0 h PRO 102 CO -0.39 0.10 -0.09 -0.91 -0.21 0.00 0.00 178.00 176.50 3gj0 h ASN 103 N 0.11 0.67 -0.52 -2.05 2.35 -1.41 -0.53 115.58 114.21 3gj0 h ASN 103 Ca 0.03 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.32 3gj0 h ASN 103 Cb 0.03 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3gj0 h ASN 103 CO -0.00 0.89 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.16 3gj0 h TRP 104 N 0.45 1.04 -0.20 1.19 4.06 -0.90 -1.63 115.95 119.96 3gj0 h TRP 104 Ca 0.09 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 3gj0 h TRP 104 Cb 0.60 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 3gj0 h TRP 104 CO 0.05 0.94 0.07 1.25 -3.56 0.00 0.00 178.44 177.19 3gj0 h HIS 105 N 0.89 0.32 -0.56 0.49 2.76 -1.04 -0.71 115.15 117.28 3gj0 h HIS 105 Ca 0.16 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.41 3gj0 h HIS 105 Cb 0.53 -0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.31 3gj0 h HIS 105 CO 0.03 0.38 0.08 -0.09 -1.30 0.00 0.00 177.93 177.03 3gj0 h ARG 106 N 0.16 0.20 -0.66 5.26 2.43 -0.90 -0.93 114.38 119.94 3gj0 h ARG 106 Ca 0.07 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3gj0 h ARG 106 Cb 0.20 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3gj0 h ARG 106 CO -0.00 0.13 0.28 -0.44 -1.51 0.00 0.00 179.97 178.43 3gj0 h ASP 107 N 0.21 0.91 0.27 -3.80 3.32 -0.98 -1.41 116.42 114.93 3gj0 h ASP 107 Ca 0.29 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3gj0 h ASP 107 Cb 0.44 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gj0 h ASP 107 CO -0.41 0.82 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.73 3gj0 h LEU 108 N 0.94 -0.31 -1.59 1.55 3.38 -0.46 -3.01 115.31 115.81 3gj0 h LEU 108 Ca 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3gj0 h LEU 108 Cb 0.19 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gj0 h LEU 108 CO -0.02 -0.15 0.10 0.58 0.09 0.00 0.00 178.44 179.04 3gj0 h VAL 109 N -0.45 1.11 -0.78 1.22 2.07 -1.11 1.06 116.25 119.37 3gj0 h VAL 109 Ca -0.04 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3gj0 h VAL 109 Cb 0.34 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3gj0 h VAL 109 CO 0.06 0.13 0.48 -0.09 0.02 0.00 0.00 177.57 178.17 3gj0 h ARG 110 N 0.37 0.87 0.00 1.57 2.43 -1.13 -2.97 114.38 115.52 3gj0 h ARG 110 Ca 0.09 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.93 3gj0 h ARG 110 Cb 0.09 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 3gj0 h ARG 110 CO -0.01 0.57 -2.22 0.28 -1.51 0.00 0.00 179.97 177.08 3gj0 n VAL 111 N -4.66 1.12 -3.57 0.20 0.31 -0.72 -4.73 118.33 106.28 3gj0 n VAL 111 Ca 0.10 -0.78 -0.27 0.00 -0.01 0.00 0.00 64.34 63.38 3gj0 n VAL 111 Cb 0.14 -0.41 -0.11 0.00 -0.91 0.00 0.00 33.84 32.55 3gj0 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gj0 h GLU 113 N 5.50 1.01 0.00 0.00 4.11 -1.71 -3.29 114.58 120.19 3gj0 h GLU 113 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3gj0 h GLU 113 Cb 0.85 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3gj0 h GLU 113 CO 0.50 0.67 0.00 0.09 0.07 0.00 0.00 179.01 180.34 3gj0 n ASN 114 N -4.43 1.62 -4.75 3.06 5.03 -1.26 -4.83 115.26 109.70 3gj0 n ASN 114 Ca 0.09 -1.70 -0.35 0.00 0.87 0.00 0.00 54.58 53.49 3gj0 n ASN 114 Cb 0.06 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 38.86 3gj0 n ASN 114 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3gj0 s ILE 115 N -0.70 2.65 0.29 2.41 -4.36 -1.24 -4.95 121.20 115.29 3gj0 s ILE 115 Ca 0.00 0.38 -0.29 0.00 -0.26 0.00 0.00 60.65 60.47 3gj0 s ILE 115 Cb 0.00 -3.07 -0.10 0.00 1.25 0.00 0.00 42.46 40.54 3gj0 s ILE 115 CO 0.00 -0.11 1.33 -2.84 0.24 0.00 0.00 174.94 173.56 3gj0 s PRO 116 N -3.52 4.35 -0.03 0.37 0.02 -1.26 -4.90 135.00 130.03 3gj0 s PRO 116 Ca 0.76 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.98 3gj0 s PRO 116 Cb -0.29 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.14 3gj0 s PRO 116 CO 0.36 -0.24 -0.06 0.42 -0.33 0.00 0.00 177.00 177.15 3gj0 s ILE 117 N -0.65 0.57 -0.08 2.83 1.01 -1.26 -1.47 121.20 122.16 3gj0 s ILE 117 Ca 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.98 3gj0 s ILE 117 Cb -0.39 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3gj0 s ILE 117 CO 0.48 0.21 -0.04 -0.69 0.00 0.00 0.00 174.94 174.90 3gj0 s VAL 118 N 0.59 3.97 -0.20 2.92 1.01 -0.52 -4.10 120.40 124.08 3gj0 s VAL 118 Ca -0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 3gj0 s VAL 118 Cb -0.11 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3gj0 s VAL 118 CO 0.00 0.60 0.12 -0.22 0.00 0.00 0.00 175.10 175.60 3gj0 s LEU 119 N -0.79 4.17 -0.11 3.92 2.96 -0.17 -1.19 118.68 127.46 3gj0 s LEU 119 Ca 0.12 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3gj0 s LEU 119 Cb -0.11 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.52 3gj0 s LEU 119 CO 0.02 0.18 -0.15 0.00 -1.32 0.00 0.00 176.35 175.09 3gj0 s GLY 121 N 1.06 1.94 0.56 0.00 0.00 -0.65 -1.13 107.32 109.09 3gj0 s GLY 121 Ca -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 3gj0 s GLY 121 CO -0.03 1.15 0.81 0.21 0.00 0.00 0.00 173.10 175.24 3gj0 s ASN 122 N 2.18 5.40 -0.49 1.64 2.47 0.31 -0.62 114.94 125.83 3gj0 s ASN 122 Ca 0.09 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.64 3gj0 s ASN 122 Cb -0.20 -1.23 0.00 0.00 -1.45 0.00 0.00 41.25 38.37 3gj0 s ASN 122 CO 0.11 -1.09 0.00 0.29 -3.72 0.00 0.00 177.10 172.69 3gj0 n LYS 123 N -2.41 -0.46 0.00 0.43 5.02 -0.96 -1.17 118.16 118.61 3gj0 n LYS 123 Ca 0.06 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.74 3gj0 n LYS 123 Cb 0.59 -4.11 0.57 0.00 -0.02 0.00 0.00 35.03 32.06 3gj0 n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gj0 n VAL 124 N -3.97 0.21 0.23 -0.18 0.24 -1.07 -2.14 118.33 111.65 3gj0 n VAL 124 Ca -0.07 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.40 3gj0 n VAL 124 Cb 0.54 -0.72 0.48 0.00 -1.47 0.00 0.00 33.84 32.68 3gj0 n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3gj0 h ASP 125 N 0.00 0.00 -3.10 -1.34 2.03 -1.92 -3.44 116.42 108.65 3gj0 h ASP 125 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3gj0 h ASP 125 Cb 0.11 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.55 3gj0 h ASP 125 CO 0.00 0.16 0.90 -0.63 -1.03 0.00 0.00 179.24 178.64 3gj0 s ILE 126 N -3.61 4.35 0.27 4.15 1.01 -0.91 -4.89 121.20 121.57 3gj0 s ILE 126 Ca 0.01 1.59 -0.00 0.00 0.00 0.00 0.00 60.65 62.24 3gj0 s ILE 126 Cb 0.09 -4.19 0.26 0.00 0.01 0.00 0.00 42.46 38.63 3gj0 s ILE 126 CO 0.62 -0.33 1.70 0.50 0.00 0.00 0.00 174.94 177.43 3gj0 h LYS 127 N 8.40 0.36 -4.52 2.79 1.63 -1.90 -3.26 116.57 120.07 3gj0 h LYS 127 Ca -0.24 -0.02 -0.72 0.00 -0.85 0.00 0.00 60.65 58.82 3gj0 h LYS 127 Cb 1.08 -0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.53 3gj0 h LYS 127 CO 1.01 0.24 2.25 -3.47 -3.45 0.00 0.00 179.45 176.02 3gj0 n ASP 128 N -5.07 4.73 -4.72 4.20 -0.08 -1.26 -4.97 116.55 109.38 3gj0 n ASP 128 Ca 0.18 -2.96 -0.42 0.00 -1.51 0.00 0.00 54.79 50.09 3gj0 n ASP 128 Cb 0.55 -1.62 -0.03 0.00 2.34 0.00 0.00 41.12 42.36 3gj0 n ASP 128 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3gj0 s ARG 129 N 2.43 4.59 -0.24 -0.67 3.52 -1.23 -4.81 118.95 122.53 3gj0 s ARG 129 Ca 0.46 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 3gj0 s ARG 129 Cb 0.07 -3.42 -0.18 0.00 -1.56 0.00 0.00 34.95 29.86 3gj0 s ARG 129 CO -0.00 0.01 -0.15 1.63 -0.81 0.00 0.00 175.30 175.98 3gj0 n LYS 130 N 3.54 0.66 -3.30 5.12 4.76 -0.19 -4.80 118.16 123.95 3gj0 n LYS 130 Ca 0.05 0.17 -0.46 0.00 -2.87 0.00 0.00 58.31 55.20 3gj0 n LYS 130 Cb 0.50 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 3gj0 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gj0 s VAL 131 N -2.52 5.24 0.48 -0.18 1.01 0.12 -4.98 120.40 119.57 3gj0 s VAL 131 Ca -0.33 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.08 3gj0 s VAL 131 Cb 0.09 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.12 3gj0 s VAL 131 CO 0.62 -0.91 0.68 -0.54 0.00 0.00 0.00 175.10 174.95 3gj0 s LYS 132 N 1.47 2.73 0.32 2.72 1.02 -1.26 -4.86 119.74 121.87 3gj0 s LYS 132 Ca 0.06 -0.91 0.07 0.00 0.02 0.00 0.00 55.97 55.21 3gj0 s LYS 132 Cb -0.27 -2.60 0.76 0.00 -0.52 0.00 0.00 37.83 35.20 3gj0 s LYS 132 CO 0.01 -0.47 1.81 0.00 -0.92 0.00 0.00 175.35 175.78 3gj0 h ALA 133 N 0.34 1.74 0.00 5.17 0.00 -1.94 -0.01 119.26 124.57 3gj0 h ALA 133 Ca -0.42 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3gj0 h ALA 133 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gj0 h ALA 133 CO 0.50 -0.06 -0.06 0.87 0.00 0.00 0.00 179.25 180.50 3gj0 h LYS 134 N 0.75 0.00 0.00 0.00 1.79 -1.94 -2.42 116.57 114.75 3gj0 h LYS 134 Ca 0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 3gj0 h LYS 134 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3gj0 h LYS 134 CO -0.31 0.06 -1.09 0.43 -1.08 0.00 0.00 179.45 177.46 3gj0 n SER 135 N -3.77 0.60 -4.49 0.86 7.64 -0.04 -4.76 113.62 109.66 3gj0 n SER 135 Ca -0.02 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.30 3gj0 n SER 135 Cb 0.16 0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 64.16 3gj0 n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gj0 s ILE 136 N -3.24 4.10 0.00 0.44 1.01 -0.91 -4.72 121.20 117.89 3gj0 s ILE 136 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3gj0 s ILE 136 Cb 0.14 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.81 3gj0 s ILE 136 CO 0.81 -1.64 0.07 0.55 0.00 0.00 0.00 174.94 174.73 3gj0 n VAL 137 N 6.12 0.00 -0.27 2.92 3.14 -1.26 -4.82 118.33 124.16 3gj0 n VAL 137 Ca 0.02 -0.32 -0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3gj0 n VAL 137 Cb 0.47 1.08 0.21 0.00 -1.06 0.00 0.00 33.84 34.54 3gj0 n VAL 137 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3gj0 h PHE 138 N 0.00 1.04 -0.16 1.45 3.04 -2.00 -1.67 116.94 118.64 3gj0 h PHE 138 Ca 0.00 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 3gj0 h PHE 138 Cb 0.04 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 3gj0 h PHE 138 CO 0.00 0.65 -0.31 1.12 -2.02 0.00 0.00 178.31 177.76 3gj0 h HIS 139 N 1.12 0.36 -0.22 0.41 2.07 -1.87 -2.01 115.15 115.01 3gj0 h HIS 139 Ca 0.30 -0.08 -0.06 0.00 -2.85 0.00 0.00 60.37 57.69 3gj0 h HIS 139 Cb -0.13 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 29.76 3gj0 h HIS 139 CO -0.00 0.60 -0.08 0.00 -3.07 0.00 0.00 177.93 175.37 3gj0 h ARG 140 N 0.28 0.44 -0.30 5.12 3.08 -1.58 0.60 114.38 122.03 3gj0 h ARG 140 Ca 0.04 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 59.97 3gj0 h ARG 140 Cb 0.68 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3gj0 h ARG 140 CO 0.05 0.71 0.21 0.87 -1.07 0.00 0.00 179.97 180.73 3gj0 h LYS 141 N 0.16 0.09 -0.10 0.04 1.57 -1.05 -2.69 116.57 114.58 3gj0 h LYS 141 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gj0 h LYS 141 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3gj0 h LYS 141 CO 0.03 0.06 0.00 1.63 -0.57 0.00 0.00 179.45 180.60 3gj0 n LYS 142 N -4.47 2.46 -3.96 3.15 5.02 -0.78 -4.99 118.16 114.59 3gj0 n LYS 142 Ca 0.04 -2.12 -0.30 0.00 -2.02 0.00 0.00 58.31 53.91 3gj0 n LYS 142 Cb 0.31 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 3gj0 n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gj0 n ASN 143 N -0.59 -3.79 -4.99 4.39 5.03 0.16 -4.99 115.26 110.47 3gj0 n ASN 143 Ca 0.10 -0.85 -0.19 0.00 0.87 0.00 0.00 54.58 54.51 3gj0 n ASN 143 Cb 0.49 -3.62 -0.00 0.00 -1.02 0.00 0.00 39.78 35.62 3gj0 n ASN 143 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gj0 s LEU 144 N -7.19 3.95 0.06 3.41 1.43 0.16 -5.01 118.68 115.48 3gj0 s LEU 144 Ca 0.56 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.31 3gj0 s LEU 144 Cb -0.29 -2.77 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 3gj0 s LEU 144 CO 0.85 -0.46 0.52 -1.58 0.23 0.00 0.00 176.35 175.92 3gj0 s GLN 145 N -4.20 4.10 0.02 1.70 2.00 -1.26 -4.52 119.66 117.51 3gj0 s GLN 145 Ca 0.46 0.63 0.08 0.00 -2.00 0.00 0.00 55.36 54.52 3gj0 s GLN 145 Cb -0.10 -3.21 -0.03 0.00 0.80 0.00 0.00 33.01 30.48 3gj0 s GLN 145 CO 0.31 0.64 -0.24 -0.47 -0.50 0.00 0.00 175.29 175.04 3gj0 s TYR 146 N -1.13 2.39 -0.01 1.67 5.04 -1.26 -1.00 117.35 123.06 3gj0 s TYR 146 Ca 0.28 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.55 3gj0 s TYR 146 Cb -0.18 -1.45 -0.00 0.00 0.35 0.00 0.00 41.96 40.67 3gj0 s TYR 146 CO 0.17 0.11 -0.06 0.71 -1.34 0.00 0.00 175.55 175.15 3gj0 s TYR 147 N -0.77 0.51 0.27 4.97 2.02 -0.38 -4.98 117.35 119.00 3gj0 s TYR 147 Ca 0.12 -0.10 -0.29 0.00 -0.37 0.00 0.00 57.07 56.43 3gj0 s TYR 147 Cb -0.10 -0.33 -0.09 0.00 -0.40 0.00 0.00 41.96 41.03 3gj0 s TYR 147 CO 0.02 -0.01 1.18 -0.51 -1.57 0.00 0.00 175.55 174.65 3gj0 s ASP 148 N -0.10 7.09 0.06 2.29 1.01 -1.26 -1.63 116.67 124.13 3gj0 s ASP 148 Ca 0.02 2.38 0.00 0.00 0.71 0.00 0.00 52.55 55.66 3gj0 s ASP 148 Cb -0.03 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3gj0 s ASP 148 CO -0.00 -0.30 -0.04 0.27 0.21 0.00 0.00 175.17 175.30 3gj0 s ILE 149 N -0.92 0.36 -0.24 0.77 -4.36 0.21 -4.69 121.20 112.32 3gj0 s ILE 149 Ca 0.48 -1.72 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 3gj0 s ILE 149 Cb -0.34 -1.39 0.08 0.00 1.25 0.00 0.00 42.46 42.05 3gj0 s ILE 149 CO 0.43 -0.88 0.06 -0.55 0.24 0.00 0.00 174.94 174.24 3gj0 s SER 150 N -2.74 3.42 0.19 4.36 0.15 -0.99 -2.28 113.70 115.82 3gj0 s SER 150 Ca 0.05 -1.17 -0.12 0.00 0.70 0.00 0.00 55.95 55.42 3gj0 s SER 150 Cb 0.05 -0.72 0.18 0.00 -1.71 0.00 0.00 66.02 63.81 3gj0 s SER 150 CO -0.07 -0.35 1.79 0.00 1.20 0.00 0.00 173.24 175.81 3gj0 h ALA 151 N 8.18 0.74 0.00 5.45 0.00 -1.93 -1.20 119.26 130.50 3gj0 h ALA 151 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gj0 h ALA 151 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gj0 h ALA 151 CO 0.40 -0.05 0.00 0.87 0.00 0.00 0.00 179.25 180.46 3gj0 h LYS 152 N 0.55 0.00 -0.10 0.00 1.79 -1.95 -2.70 116.57 114.17 3gj0 h LYS 152 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3gj0 h LYS 152 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3gj0 h LYS 152 CO -0.18 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.06 3gj0 n SER 153 N -3.07 2.09 -0.42 0.86 3.41 -1.03 -0.41 113.62 115.06 3gj0 n SER 153 Ca -0.01 -1.57 -0.05 0.00 -0.26 0.00 0.00 58.87 56.97 3gj0 n SER 153 Cb 0.20 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3gj0 n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gj0 n ASN 154 N 0.49 -5.34 -4.69 4.04 3.02 -0.53 -4.77 115.26 107.48 3gj0 n ASN 154 Ca 0.07 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 3gj0 n ASN 154 Cb 0.29 -3.32 -0.03 0.00 -0.61 0.00 0.00 39.78 36.10 3gj0 n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gj0 s TYR 155 N -1.64 2.46 -2.10 3.10 5.04 -0.77 -2.11 117.35 121.33 3gj0 s TYR 155 Ca 0.00 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 3gj0 s TYR 155 Cb 0.00 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.35 3gj0 s TYR 155 CO 0.00 -3.84 0.00 0.09 -1.34 0.00 0.00 175.55 170.46 3gj0 n ASN 156 N 5.49 -5.49 -0.20 4.32 3.02 -1.26 -2.35 115.26 118.80 3gj0 n ASN 156 Ca 0.16 0.42 0.01 0.00 -0.03 0.00 0.00 54.58 55.13 3gj0 n ASN 156 Cb 0.40 -4.80 0.11 0.00 -0.61 0.00 0.00 39.78 34.89 3gj0 n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gj0 h PHE 157 N 0.00 0.14 0.00 3.10 3.57 -1.77 -1.67 116.94 120.32 3gj0 h PHE 157 Ca -0.43 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3gj0 h PHE 157 Cb 1.34 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.12 3gj0 h PHE 157 CO 0.58 -0.07 0.00 1.05 -2.23 0.00 0.00 178.31 177.63 3gj0 h GLU 158 N 0.22 0.00 -0.27 1.11 9.09 -1.90 -3.38 114.58 119.45 3gj0 h GLU 158 Ca 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.69 3gj0 h GLU 158 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3gj0 h GLU 158 CO -0.44 0.00 0.01 0.87 0.05 0.00 0.00 179.01 179.49 3gj0 h LYS 159 N 0.00 0.47 -0.92 1.06 1.57 -1.70 -0.63 116.57 116.42 3gj0 h LYS 159 Ca 0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gj0 h LYS 159 Cb 0.60 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3gj0 h LYS 159 CO 0.00 0.62 0.56 -1.35 -0.57 0.00 0.00 179.45 178.71 3gj0 h PRO 160 N 0.26 1.25 -0.41 3.15 0.11 -1.75 -1.55 132.00 133.06 3gj0 h PRO 160 Ca 0.08 -0.11 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 3gj0 h PRO 160 Cb 0.41 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3gj0 h PRO 160 CO 0.01 0.87 -0.27 0.74 -0.21 0.00 0.00 178.00 179.15 3gj0 h PHE 161 N 1.27 1.01 -0.56 0.65 0.04 -1.73 -1.16 116.94 116.45 3gj0 h PHE 161 Ca 0.33 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3gj0 h PHE 161 Cb -0.06 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 3gj0 h PHE 161 CO 0.00 1.04 0.18 1.25 -0.60 0.00 0.00 178.31 180.18 3gj0 h LEU 162 N 0.74 0.81 -0.21 1.54 5.85 -0.87 -0.21 115.31 122.97 3gj0 h LEU 162 Ca 0.09 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3gj0 h LEU 162 Cb 0.82 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3gj0 h LEU 162 CO 0.07 0.80 0.07 -0.25 -0.34 0.00 0.00 178.44 178.79 3gj0 h TRP 163 N 0.78 0.33 -0.58 1.25 7.01 -1.11 -1.27 115.95 122.36 3gj0 h TRP 163 Ca 0.18 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3gj0 h TRP 163 Cb 0.27 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 3gj0 h TRP 163 CO 0.02 0.40 0.32 -0.07 -2.79 0.00 0.00 178.44 176.31 3gj0 h LEU 164 N 0.16 0.73 -0.50 0.65 3.38 -1.10 -0.84 115.31 117.79 3gj0 h LEU 164 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gj0 h LEU 164 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3gj0 h LEU 164 CO -0.00 0.62 0.32 0.00 0.09 0.00 0.00 178.44 179.46 3gj0 h ALA 165 N 1.14 0.64 -0.86 1.53 0.00 -0.85 0.14 119.26 121.01 3gj0 h ALA 165 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gj0 h ALA 165 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3gj0 h ALA 165 CO -0.03 0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.68 3gj0 h ARG 166 N 0.64 1.23 -0.11 0.00 3.08 -0.87 -1.39 114.38 116.96 3gj0 h ARG 166 Ca 0.20 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3gj0 h ARG 166 Cb -0.02 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 3gj0 h ARG 166 CO -0.07 0.94 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.45 3gj0 h LYS 167 N 1.22 0.26 -0.37 0.04 1.63 -0.71 0.41 116.57 119.04 3gj0 h LYS 167 Ca 0.30 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 3gj0 h LYS 167 Cb 0.10 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 3gj0 h LYS 167 CO -0.04 0.66 0.21 -0.07 -3.45 0.00 0.00 179.45 176.76 3gj0 h LEU 168 N -0.14 0.46 0.00 5.20 3.38 -0.61 -2.85 115.31 120.75 3gj0 h LEU 168 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gj0 h LEU 168 Cb 0.61 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gj0 h LEU 168 CO 0.02 0.41 -0.33 0.40 0.09 0.00 0.00 178.44 179.03 3gj0 h ILE 169 N 0.48 0.00 -1.83 1.22 2.04 -1.34 -3.48 117.51 114.60 3gj0 h ILE 169 Ca 0.13 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 3gj0 h ILE 169 Cb 0.05 1.61 0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3gj0 h ILE 169 CO -0.02 0.00 -0.15 0.61 0.00 0.00 0.00 178.15 178.59 3gj0 n GLY 170 N 1.20 0.54 2.60 5.37 0.00 0.04 -5.04 105.19 109.91 3gj0 n GLY 170 Ca 0.03 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3gj0 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gj0 s ASP 171 N -3.02 3.40 0.29 1.61 2.15 -0.62 -5.00 116.67 115.48 3gj0 s ASP 171 Ca 0.11 -1.21 0.24 0.00 0.43 0.00 0.00 52.55 52.11 3gj0 s ASP 171 Cb -0.05 -0.45 1.05 0.00 -0.30 0.00 0.00 42.92 43.17 3gj0 s ASP 171 CO 0.13 -0.41 1.72 -2.65 -0.17 0.00 0.00 175.17 173.79 3gj0 n PRO 172 N 5.16 0.19 -0.16 4.34 -0.02 -1.26 -2.18 135.00 141.07 3gj0 n PRO 172 Ca -0.06 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3gj0 n PRO 172 Cb 0.43 -1.91 0.21 0.00 -0.02 0.00 0.00 33.50 32.21 3gj0 n PRO 172 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gj0 n ASN 173 N -2.28 3.30 -4.74 2.55 3.02 -1.26 -4.91 115.26 110.93 3gj0 n ASN 173 Ca 0.01 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 3gj0 n ASN 173 Cb 0.19 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 3gj0 n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3gj0 n LEU 174 N 1.41 4.31 -4.07 3.41 0.00 -0.93 -4.98 117.00 116.15 3gj0 n LEU 174 Ca 0.19 1.16 -0.10 0.00 0.00 0.00 0.00 56.01 57.26 3gj0 n LEU 174 Cb 0.59 -1.58 -0.11 0.00 0.00 0.00 0.00 43.42 42.32 3gj0 n LEU 174 CO 0.16 0.09 -0.38 -1.61 0.00 0.00 0.00 177.39 175.65 3gj0 s GLU 175 N -0.75 0.55 -0.07 1.96 2.02 -1.26 -4.95 118.70 116.19 3gj0 s GLU 175 Ca 0.63 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 3gj0 s GLU 175 Cb -0.51 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 33.67 3gj0 s GLU 175 CO 0.51 -0.03 1.01 -0.06 0.02 0.00 0.00 175.26 176.71 3gj0 s PHE 176 N -2.44 3.54 -0.90 1.61 0.08 -1.26 -0.92 117.98 117.68 3gj0 s PHE 176 Ca -0.03 1.61 0.26 0.00 0.12 0.00 0.00 56.93 58.88 3gj0 s PHE 176 Cb -0.03 -3.18 0.73 0.00 -0.57 0.00 0.00 43.02 39.97 3gj0 s PHE 176 CO -0.03 -0.22 1.59 1.33 -0.10 0.00 0.00 175.22 177.79 3gj0 n VAL 177 N 4.37 0.13 -3.64 -0.44 0.24 0.18 -4.86 118.33 114.32 3gj0 n VAL 177 Ca 0.08 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3gj0 n VAL 177 Cb 0.49 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.65 3gj0 n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj0 s ALA 178 N -3.04 -1.35 0.35 2.33 0.00 -1.25 -5.09 121.76 113.70 3gj0 s ALA 178 Ca 0.11 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 3gj0 s ALA 178 Cb 0.17 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 3gj0 s ALA 178 CO 0.64 -0.31 1.04 -1.64 0.00 0.00 0.00 175.76 175.49 3gj0 s MET 179 N -0.89 4.39 0.77 0.00 1.00 -1.26 -4.59 119.30 118.71 3gj0 s MET 179 Ca -0.09 1.56 -0.13 0.00 0.00 0.00 0.00 55.69 57.03 3gj0 s MET 179 Cb -0.03 -2.79 0.06 0.00 0.00 0.00 0.00 34.83 32.07 3gj0 s MET 179 CO 0.06 0.05 1.16 -1.25 0.00 0.00 0.00 175.02 175.04 3gj0 s PRO 180 N -2.08 2.01 -0.09 2.03 0.04 -1.26 -4.94 135.00 130.72 3gj0 s PRO 180 Ca 0.52 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 3gj0 s PRO 180 Cb -0.24 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3gj0 s PRO 180 CO 0.31 -1.89 1.60 0.00 0.04 0.00 0.00 177.00 177.06 3gj0 s ALA 181 N -2.31 3.58 0.06 8.56 0.00 -1.26 -5.00 121.76 125.39 3gj0 s ALA 181 Ca 0.70 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.54 3gj0 s ALA 181 Cb -0.25 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 3gj0 s ALA 181 CO 0.49 -1.44 -0.10 -0.51 0.00 0.00 0.00 175.76 174.20 3gj0 s LEU 182 N 4.12 3.01 0.26 0.00 1.43 -1.26 -1.92 118.68 124.32 3gj0 s LEU 182 Ca 0.71 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 3gj0 s LEU 182 Cb -0.31 -1.78 -0.14 0.00 0.03 0.00 0.00 46.19 44.00 3gj0 s LEU 182 CO 0.28 0.22 1.31 0.00 0.23 0.00 0.00 176.35 178.39 3gj0 n ALA 183 N 1.12 0.75 -1.71 4.21 0.00 0.11 -4.88 120.51 120.11 3gj0 n ALA 183 Ca -0.14 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 3gj0 n ALA 183 Cb 0.52 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 17.77 3gj0 n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gj0 n PRO 184 N 1.56 2.05 -1.68 0.00 -0.02 -1.26 -4.86 135.00 130.79 3gj0 n PRO 184 Ca 0.10 0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 3gj0 n PRO 184 Cb 0.31 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3gj0 n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gj0 n PRO 185 N 0.11 2.12 0.03 0.52 -0.02 -1.26 -4.89 135.00 131.61 3gj0 n PRO 185 Ca 0.06 0.76 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 3gj0 n PRO 185 Cb 0.39 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3gj0 n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gj0 n GLU 186 N 2.15 0.28 -4.11 -0.52 1.02 0.45 -4.89 120.64 115.01 3gj0 n GLU 186 Ca 0.12 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 3gj0 n GLU 186 Cb 0.32 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 3gj0 n GLU 186 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gj0 s VAL 187 N -3.19 0.56 -0.07 2.62 -7.23 -1.12 -5.03 120.40 106.94 3gj0 s VAL 187 Ca 0.04 -1.48 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 3gj0 s VAL 187 Cb 0.14 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 3gj0 s VAL 187 CO 0.80 -0.64 0.52 -0.69 -0.31 0.00 0.00 175.10 174.78 3gj0 s VAL 188 N -2.49 5.09 -0.46 1.32 1.01 -1.26 -4.23 120.40 119.38 3gj0 s VAL 188 Ca 0.00 1.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.80 3gj0 s VAL 188 Cb -0.02 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3gj0 s VAL 188 CO -0.03 0.37 0.77 -0.32 0.00 0.00 0.00 175.10 175.89 3gj0 s MET 189 N 0.26 3.37 -0.03 2.72 1.75 -1.26 -4.98 119.30 121.13 3gj0 s MET 189 Ca 0.28 -0.19 -0.32 0.00 -1.25 0.00 0.00 55.69 54.21 3gj0 s MET 189 Cb -0.16 -3.96 -0.11 0.00 2.84 0.00 0.00 34.83 33.45 3gj0 s MET 189 CO 0.13 -1.14 1.92 -3.47 -0.65 0.00 0.00 175.02 171.82 3gj0 n ASP 190 N 6.69 3.79 -0.16 1.11 2.03 -1.26 -4.87 116.55 123.87 3gj0 n ASP 190 Ca 0.01 0.94 0.04 0.00 0.52 0.00 0.00 54.79 56.31 3gj0 n ASP 190 Cb 0.48 -1.44 0.33 0.00 -0.72 0.00 0.00 41.12 39.76 3gj0 n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gj0 h PRO 191 N 9.80 0.78 -0.26 -0.67 0.11 -1.99 0.05 132.00 139.83 3gj0 h PRO 191 Ca -0.49 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 3gj0 h PRO 191 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gj0 h PRO 191 CO 0.94 0.52 -0.24 0.00 -0.21 0.00 0.00 178.00 179.01 3gj0 h ALA 192 N 1.61 1.11 -0.28 -0.75 0.00 -1.99 -1.21 119.26 117.74 3gj0 h ALA 192 Ca 0.27 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gj0 h ALA 192 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3gj0 h ALA 192 CO -0.08 0.55 -0.25 1.25 0.00 0.00 0.00 179.25 180.73 3gj0 h LEU 193 N 0.43 0.70 -0.64 0.00 5.85 -1.62 -1.87 115.31 118.17 3gj0 h LEU 193 Ca 0.06 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3gj0 h LEU 193 Cb 0.66 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3gj0 h LEU 193 CO 0.05 1.02 0.36 0.00 -0.34 0.00 0.00 178.44 179.52 3gj0 h ALA 194 N 0.71 0.84 -0.31 1.25 0.00 -0.83 -0.26 119.26 120.66 3gj0 h ALA 194 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gj0 h ALA 194 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3gj0 h ALA 194 CO 0.06 0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.55 3gj0 h ALA 195 N 1.32 0.39 -0.29 0.00 0.00 -1.13 0.69 119.26 120.24 3gj0 h ALA 195 Ca 0.28 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3gj0 h ALA 195 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gj0 h ALA 195 CO -0.16 -0.12 0.12 0.37 0.00 0.00 0.00 179.25 179.46 3gj0 h GLN 196 N 0.40 0.25 -0.55 0.00 4.15 -0.94 -0.97 115.11 117.46 3gj0 h GLN 196 Ca 0.11 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.41 3gj0 h GLN 196 Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 3gj0 h GLN 196 CO -0.02 0.17 -0.07 1.88 -1.93 0.00 0.00 178.83 178.86 3gj0 h TYR 197 N 0.26 1.09 -0.57 3.99 0.05 -0.78 0.23 116.97 121.24 3gj0 h TYR 197 Ca 0.13 -0.21 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 3gj0 h TYR 197 Cb 0.08 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 3gj0 h TYR 197 CO -0.12 1.00 0.15 1.49 -1.05 0.00 0.00 178.16 179.64 3gj0 h GLU 198 N 0.90 0.91 -0.25 4.88 4.81 -0.72 -1.74 114.58 123.36 3gj0 h GLU 198 Ca 0.15 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3gj0 h GLU 198 Cb 0.61 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3gj0 h GLU 198 CO 0.04 0.84 0.09 1.25 -0.73 0.00 0.00 179.01 180.50 3gj0 h HIS 199 N 0.82 0.38 -0.99 0.92 2.76 -0.88 -2.21 115.15 115.95 3gj0 h HIS 199 Ca 0.18 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3gj0 h HIS 199 Cb 0.33 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.12 3gj0 h HIS 199 CO 0.02 0.41 0.65 -0.44 -1.30 0.00 0.00 177.93 177.27 3gj0 h ASP 200 N 0.24 1.07 -0.58 3.26 3.32 -0.77 0.07 116.42 123.04 3gj0 h ASP 200 Ca 0.08 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3gj0 h ASP 200 Cb 0.20 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3gj0 h ASP 200 CO -0.01 0.73 0.22 -0.07 -1.72 0.00 0.00 179.24 178.39 3gj0 h LEU 201 N 1.24 0.81 -0.25 1.55 3.38 -1.14 -0.84 115.31 120.06 3gj0 h LEU 201 Ca 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3gj0 h LEU 201 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3gj0 h LEU 201 CO -0.13 0.77 0.11 -0.33 0.09 0.00 0.00 178.44 178.94 3gj0 h GLU 202 N 0.80 0.38 -0.25 1.13 5.08 -0.72 -0.37 114.58 120.63 3gj0 h GLU 202 Ca 0.19 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3gj0 h GLU 202 Cb 0.22 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3gj0 h GLU 202 CO -0.01 0.41 0.02 0.28 -1.00 0.00 0.00 179.01 178.70 3gj0 h VAL 203 N 0.26 0.85 -0.36 3.13 2.07 -0.93 -2.55 116.25 118.72 3gj0 h VAL 203 Ca 0.09 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3gj0 h VAL 203 Cb 0.17 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3gj0 h VAL 203 CO -0.01 0.02 0.10 0.00 0.02 0.00 0.00 177.57 177.70 3gj0 h ALA 204 N 1.20 1.52 0.00 1.67 0.00 -0.88 -2.59 119.26 120.17 3gj0 h ALA 204 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3gj0 h ALA 204 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gj0 h ALA 204 CO -0.18 0.37 -0.31 0.37 0.00 0.00 0.00 179.25 179.50 3gj0 h GLN 205 N 0.51 0.00 -0.00 0.00 5.75 -0.66 -3.50 115.11 117.20 3gj0 h GLN 205 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3gj0 h GLN 205 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3gj0 h GLN 205 CO -0.01 0.31 0.00 0.25 -2.65 0.00 0.00 178.83 176.73