#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjx n GLN 10 N 0.00 0.59 -3.67 1.45 6.02 -1.26 -3.28 117.38 117.22 3gjx n GLN 10 Ca 0.00 -3.30 -0.11 0.00 -0.01 0.00 0.00 57.00 53.58 3gjx n GLN 10 Cb 0.00 1.83 -0.09 0.00 1.02 0.00 0.00 30.24 33.00 3gjx n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3gjx s PHE 11 N -3.03 -0.74 -0.17 1.08 0.08 0.39 -4.92 117.98 110.67 3gjx s PHE 11 Ca 0.21 1.62 -0.27 0.00 0.12 0.00 0.00 56.93 58.60 3gjx s PHE 11 Cb 0.01 0.35 -0.01 0.00 -0.57 0.00 0.00 43.02 42.80 3gjx s PHE 11 CO 0.15 -0.38 0.91 0.21 -0.10 0.00 0.00 175.22 176.00 3gjx s LYS 12 N 1.02 4.31 -0.24 0.44 2.20 -1.26 -0.62 119.74 125.59 3gjx s LYS 12 Ca -0.06 1.15 -0.01 0.00 -0.36 0.00 0.00 55.97 56.70 3gjx s LYS 12 Cb -0.06 -3.58 0.07 0.00 -1.51 0.00 0.00 37.83 32.75 3gjx s LYS 12 CO -0.09 -0.39 0.02 -1.17 -0.36 0.00 0.00 175.35 173.35 3gjx s LEU 13 N 2.36 2.05 0.12 5.43 2.96 -0.94 -0.89 118.68 129.77 3gjx s LEU 13 Ca 0.41 -1.17 -0.26 0.00 -0.22 0.00 0.00 54.13 52.89 3gjx s LEU 13 Cb -0.17 -0.91 -0.07 0.00 0.50 0.00 0.00 46.19 45.55 3gjx s LEU 13 CO 0.12 -0.31 0.79 0.54 -1.32 0.00 0.00 176.35 176.17 3gjx s VAL 14 N 1.60 4.50 -0.30 1.68 0.11 -1.03 -1.22 120.40 125.75 3gjx s VAL 14 Ca -0.00 1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 60.74 3gjx s VAL 14 Cb -0.18 -4.15 0.05 0.00 -1.53 0.00 0.00 36.38 30.57 3gjx s VAL 14 CO -0.11 0.45 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.89 3gjx s LEU 15 N -0.67 3.85 0.40 2.54 0.20 -0.79 -2.24 118.68 121.97 3gjx s LEU 15 Ca 0.38 -1.25 0.07 0.00 0.69 0.00 0.00 54.13 54.02 3gjx s LEU 15 Cb -0.22 -1.71 -0.07 0.00 -0.43 0.00 0.00 46.19 43.76 3gjx s LEU 15 CO 0.25 -0.25 0.02 0.68 -0.29 0.00 0.00 176.35 176.77 3gjx s VAL 16 N 1.25 2.08 0.00 1.68 -7.23 -0.98 -2.29 120.40 114.91 3gjx s VAL 16 Ca -0.05 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3gjx s VAL 16 Cb -0.20 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.78 3gjx s VAL 16 CO -0.01 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3gjx n GLY 17 N -0.99 3.22 3.44 2.32 0.00 -1.26 -0.81 105.19 111.12 3gjx n GLY 17 Ca -0.04 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 3gjx n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gjx n ASP 18 N 0.00 -1.82 -4.76 1.61 10.43 -1.25 -3.90 116.55 116.85 3gjx n ASP 18 Ca 0.00 -0.15 -0.38 0.00 2.57 0.00 0.00 54.79 56.82 3gjx n ASP 18 Cb 0.00 -1.22 0.01 0.00 1.84 0.00 0.00 41.12 41.75 3gjx n ASP 18 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3gjx s GLY 19 N -2.32 2.87 -1.10 0.44 0.00 -1.23 -3.26 107.32 102.71 3gjx s GLY 19 Ca 0.67 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.58 3gjx s GLY 19 CO 0.65 1.71 0.00 0.61 0.00 0.00 0.00 173.10 176.08 3gjx n GLY 20 N 0.61 1.12 0.20 0.20 0.00 -1.26 -4.85 105.19 101.20 3gjx n GLY 20 Ca 0.07 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3gjx n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gjx h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.92 -3.47 112.91 111.49 3gjx h THR 21 Ca -0.21 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3gjx h THR 21 Cb 0.87 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3gjx h THR 21 CO 0.31 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3gjx n GLY 22 N 0.68 1.44 0.05 5.82 0.00 -1.26 -4.60 105.19 107.32 3gjx n GLY 22 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3gjx n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gjx h LYS 23 N 0.00 -0.01 -0.49 1.61 1.57 -1.91 0.57 116.57 117.90 3gjx h LYS 23 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3gjx h LYS 23 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3gjx h LYS 23 CO 0.00 0.32 -0.21 1.15 -0.57 0.00 0.00 179.45 180.14 3gjx h THR 24 N -0.34 1.27 -0.80 -0.16 2.02 -1.96 -1.88 112.91 111.07 3gjx h THR 24 Ca -0.00 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 65.82 3gjx h THR 24 Cb 0.33 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3gjx h THR 24 CO 0.00 0.48 0.53 0.74 0.37 0.00 0.00 175.52 177.63 3gjx h THR 25 N 0.87 1.18 0.81 3.16 2.02 -1.92 -0.26 112.91 118.77 3gjx h THR 25 Ca 0.11 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 3gjx h THR 25 Cb 0.78 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3gjx h THR 25 CO 0.07 0.19 -0.44 0.15 0.37 0.00 0.00 175.52 175.86 3gjx h PHE 26 N 1.06 -1.15 -0.92 3.16 3.57 -0.62 -2.41 116.94 119.62 3gjx h PHE 26 Ca 0.30 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.85 3gjx h PHE 26 Cb -0.08 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 3gjx h PHE 26 CO -0.02 -0.68 0.60 0.28 -2.23 0.00 0.00 178.31 176.25 3gjx h VAL 27 N -1.16 1.06 -0.38 1.41 2.07 -1.15 -2.18 116.25 115.93 3gjx h VAL 27 Ca -0.11 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3gjx h VAL 27 Cb 0.91 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3gjx h VAL 27 CO 0.15 0.19 0.25 0.50 0.02 0.00 0.00 177.57 178.68 3gjx h LYS 28 N 1.04 0.50 -0.62 1.57 3.64 -0.91 -2.12 116.57 119.67 3gjx h LYS 28 Ca 0.40 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.79 3gjx h LYS 28 Cb 0.21 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3gjx h LYS 28 CO -0.15 0.33 0.41 0.00 -2.27 0.00 0.00 179.45 177.77 3gjx h ARG 29 N 0.51 0.69 0.00 1.90 2.47 -0.88 0.03 114.38 119.10 3gjx h ARG 29 Ca 0.14 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.70 3gjx h ARG 29 Cb -0.05 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 3gjx h ARG 29 CO -0.03 0.46 -0.55 0.45 0.56 0.00 0.00 179.97 180.85 3gjx h HIS 30 N 0.71 0.00 0.00 3.04 3.86 -1.17 -0.98 115.15 120.60 3gjx h HIS 30 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3gjx h HIS 30 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3gjx h HIS 30 CO -0.00 0.55 -0.16 1.25 0.86 0.00 0.00 177.93 180.43 3gjx h LEU 31 N 0.00 0.00 0.00 2.43 5.85 -0.86 -3.42 115.31 119.31 3gjx h LEU 31 Ca -0.01 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 3gjx h LEU 31 Cb 1.02 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3gjx h LEU 31 CO 0.07 0.52 -2.13 0.35 -0.34 0.00 0.00 178.44 176.92 3gjx n THR 32 N -4.43 1.12 -0.71 1.05 -2.24 -0.06 -4.98 114.28 104.03 3gjx n THR 32 Ca -0.02 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3gjx n THR 32 Cb 0.08 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3gjx n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gjx n GLY 33 N 1.59 0.82 3.87 3.38 0.00 -0.37 -5.02 105.19 109.46 3gjx n GLY 33 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3gjx n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gjx s GLU 34 N -0.29 3.82 -0.40 1.61 0.41 -1.26 -4.92 118.70 117.67 3gjx s GLU 34 Ca 0.00 0.39 -0.08 0.00 -0.41 0.00 0.00 54.97 54.87 3gjx s GLU 34 Cb 0.00 -2.52 0.07 0.00 -1.78 0.00 0.00 34.13 29.90 3gjx s GLU 34 CO 0.00 0.16 0.22 0.12 -0.49 0.00 0.00 175.26 175.27 3gjx s PHE 35 N -2.06 3.32 0.02 1.61 5.36 -1.26 -3.70 117.98 121.28 3gjx s PHE 35 Ca 0.50 -1.51 -0.30 0.00 -0.96 0.00 0.00 56.93 54.66 3gjx s PHE 35 Cb -0.11 -2.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.75 3gjx s PHE 35 CO 0.24 -0.81 1.31 -2.00 -1.46 0.00 0.00 175.22 172.50 3gjx s GLU 36 N 1.41 4.34 0.07 10.12 2.56 -1.26 -4.92 118.70 131.02 3gjx s GLU 36 Ca 0.02 1.87 0.20 0.00 0.00 0.00 0.00 54.97 57.06 3gjx s GLU 36 Cb -0.22 -3.48 -0.15 0.00 2.00 0.00 0.00 34.13 32.28 3gjx s GLU 36 CO 0.02 -0.46 0.74 1.63 -0.56 0.00 0.00 175.26 176.64 3gjx n LYS 37 N 4.82 0.63 -2.61 4.30 5.02 -1.26 -4.95 118.16 124.11 3gjx n LYS 37 Ca 0.11 0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 3gjx n LYS 37 Cb 0.45 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3gjx n LYS 37 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gjx s LYS 38 N -3.22 3.74 -0.55 1.97 1.02 -1.26 -5.04 119.74 116.40 3gjx s LYS 38 Ca -0.04 0.54 -0.04 0.00 0.02 0.00 0.00 55.97 56.45 3gjx s LYS 38 Cb 0.10 -2.31 0.14 0.00 -0.52 0.00 0.00 37.83 35.25 3gjx s LYS 38 CO 0.83 -0.18 0.37 -0.47 -0.92 0.00 0.00 175.35 174.98 3gjx s TYR 39 N -2.59 3.49 -0.48 3.18 5.04 -1.26 -5.02 117.35 119.71 3gjx s TYR 39 Ca 0.52 -2.49 -0.14 0.00 -2.44 0.00 0.00 57.07 52.52 3gjx s TYR 39 Cb -0.10 -3.27 0.09 0.00 0.35 0.00 0.00 41.96 39.02 3gjx s TYR 39 CO 0.37 -0.91 0.39 0.08 -1.34 0.00 0.00 175.55 174.14 3gjx s VAL 40 N 0.50 5.00 0.26 3.14 1.01 -1.26 -5.06 120.40 123.99 3gjx s VAL 40 Ca 0.13 -1.24 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 3gjx s VAL 40 Cb -0.21 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 3gjx s VAL 40 CO -0.04 -0.63 1.41 0.00 0.00 0.00 0.00 175.10 175.85 3gjx n ALA 41 N 5.15 1.32 -1.77 5.51 0.00 -1.26 -4.94 120.51 124.51 3gjx n ALA 41 Ca -0.12 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 3gjx n ALA 41 Cb 0.43 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 3gjx n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gjx s THR 42 N -0.21 3.76 -0.37 0.00 2.01 -1.26 -5.01 115.64 114.56 3gjx s THR 42 Ca 0.66 1.51 -0.05 0.00 0.31 0.00 0.00 61.69 64.12 3gjx s THR 42 Cb -0.62 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.11 3gjx s THR 42 CO 0.51 0.16 0.15 -0.76 -0.69 0.00 0.00 174.62 174.00 3gjx s LEU 43 N -2.12 4.76 0.00 4.42 1.43 -1.26 -4.59 118.68 121.32 3gjx s LEU 43 Ca 0.52 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 3gjx s LEU 43 Cb -0.24 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3gjx s LEU 43 CO 0.31 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3gjx n GLY 44 N 4.71 1.11 3.20 -3.19 0.00 0.11 -4.72 105.19 106.41 3gjx n GLY 44 Ca -0.08 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 3gjx n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gjx s VAL 45 N 0.00 0.09 -0.04 1.61 0.11 -1.26 0.19 120.40 121.10 3gjx s VAL 45 Ca 0.00 -0.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 3gjx s VAL 45 Cb 0.00 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3gjx s VAL 45 CO 0.00 -0.41 0.06 -1.83 -3.33 0.00 0.00 175.10 169.59 3gjx s GLU 46 N -2.25 -0.04 -0.19 1.54 -1.05 -0.81 -4.99 118.70 110.91 3gjx s GLU 46 Ca -0.07 0.32 -0.26 0.00 -0.15 0.00 0.00 54.97 54.80 3gjx s GLU 46 Cb -0.02 -0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.30 3gjx s GLU 46 CO -0.02 -0.25 0.89 0.14 0.95 0.00 0.00 175.26 176.96 3gjx s VAL 47 N 1.67 4.83 -0.25 1.83 -7.23 -1.26 -2.16 120.40 117.83 3gjx s VAL 47 Ca -0.02 1.73 0.01 0.00 -1.81 0.00 0.00 61.98 61.89 3gjx s VAL 47 Cb -0.12 -4.18 0.07 0.00 0.56 0.00 0.00 36.38 32.70 3gjx s VAL 47 CO -0.03 -0.03 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.68 3gjx s HIS 48 N 2.47 2.52 0.18 2.82 3.76 0.73 -4.93 115.29 122.85 3gjx s HIS 48 Ca 0.40 -1.90 -0.32 0.00 -0.15 0.00 0.00 55.06 53.09 3gjx s HIS 48 Cb -0.16 -1.72 -0.11 0.00 1.11 0.00 0.00 32.58 31.70 3gjx s HIS 48 CO 0.11 -0.80 1.68 -1.25 -0.85 0.00 0.00 174.74 173.63 3gjx s PRO 49 N 1.35 4.16 -0.07 8.40 0.04 -1.26 -0.44 135.00 147.18 3gjx s PRO 49 Ca -0.04 2.51 0.04 0.00 0.04 0.00 0.00 61.00 63.55 3gjx s PRO 49 Cb -0.19 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3gjx s PRO 49 CO -0.07 -0.71 -0.19 -0.51 0.04 0.00 0.00 177.00 175.55 3gjx s LEU 50 N 1.41 1.91 -0.08 -3.56 1.43 0.25 -4.92 118.68 115.13 3gjx s LEU 50 Ca 0.74 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3gjx s LEU 50 Cb -0.47 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 3gjx s LEU 50 CO 0.32 0.13 -0.12 0.68 0.23 0.00 0.00 176.35 177.59 3gjx s VAL 51 N 0.32 3.24 -0.01 -1.59 -7.23 -1.26 0.46 120.40 114.34 3gjx s VAL 51 Ca -0.13 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 3gjx s VAL 51 Cb -0.15 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 3gjx s VAL 51 CO 0.05 0.57 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.89 3gjx s PHE 52 N -0.41 1.44 -0.26 2.82 0.40 0.20 -4.97 117.98 117.20 3gjx s PHE 52 Ca 0.05 -0.28 -0.10 0.00 -0.60 0.00 0.00 56.93 55.99 3gjx s PHE 52 Cb -0.12 -0.92 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 3gjx s PHE 52 CO 0.02 -0.02 0.17 -1.01 0.70 0.00 0.00 175.22 175.08 3gjx s HIS 53 N -0.43 3.25 0.35 0.36 3.76 -1.26 0.34 115.29 121.66 3gjx s HIS 53 Ca 0.06 0.13 0.09 0.00 -0.15 0.00 0.00 55.06 55.19 3gjx s HIS 53 Cb -0.06 -2.32 -0.06 0.00 1.11 0.00 0.00 32.58 31.25 3gjx s HIS 53 CO -0.00 -0.07 -0.05 0.95 -0.85 0.00 0.00 174.74 174.72 3gjx s THR 54 N 1.42 2.33 0.04 1.30 -4.23 -0.11 -3.45 115.64 112.94 3gjx s THR 54 Ca 0.07 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 3gjx s THR 54 Cb -0.15 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.01 3gjx s THR 54 CO 0.08 -0.18 0.20 -3.20 -0.54 0.00 0.00 174.62 170.98 3gjx n ASN 55 N -0.87 -0.01 -0.17 3.99 4.05 -0.88 -0.94 115.26 120.44 3gjx n ASN 55 Ca -0.05 0.22 0.03 0.00 0.45 0.00 0.00 54.58 55.24 3gjx n ASN 55 Cb 0.64 -0.08 0.00 0.00 1.23 0.00 0.00 39.78 41.56 3gjx n ASN 55 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3gjx n ARG 56 N -3.81 2.02 -0.37 1.20 1.74 -1.26 -5.04 116.66 111.14 3gjx n ARG 56 Ca 0.03 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 3gjx n ARG 56 Cb 0.11 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3gjx n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gjx n GLY 57 N 0.71 0.68 3.78 -0.13 0.00 -0.12 -5.11 105.19 105.00 3gjx n GLY 57 Ca 0.03 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 3gjx n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gjx s PRO 58 N -1.22 4.18 -0.05 1.61 0.02 -1.26 -0.93 135.00 137.34 3gjx s PRO 58 Ca 0.00 1.51 0.03 0.00 0.02 0.00 0.00 61.00 62.56 3gjx s PRO 58 Cb 0.00 -2.55 0.01 0.00 0.02 0.00 0.00 34.50 31.97 3gjx s PRO 58 CO 0.00 -0.13 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.91 3gjx s ILE 59 N -1.65 1.13 -0.21 2.83 -1.16 0.15 -4.91 121.20 117.38 3gjx s ILE 59 Ca 0.58 -0.52 0.01 0.00 -0.51 0.00 0.00 60.65 60.21 3gjx s ILE 59 Cb -0.22 -1.01 0.03 0.00 0.61 0.00 0.00 42.46 41.87 3gjx s ILE 59 CO 0.28 0.34 -0.15 -0.75 -2.81 0.00 0.00 174.94 171.85 3gjx s LYS 60 N 0.35 2.79 -0.30 3.50 2.20 -1.21 -0.63 119.74 126.45 3gjx s LYS 60 Ca -0.08 -0.98 -0.12 0.00 -0.36 0.00 0.00 55.97 54.43 3gjx s LYS 60 Cb -0.13 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 3gjx s LYS 60 CO 0.02 -0.33 0.20 -0.06 -0.36 0.00 0.00 175.35 174.83 3gjx s PHE 61 N 1.25 3.22 -0.86 4.03 0.08 0.17 -0.46 117.98 125.41 3gjx s PHE 61 Ca 0.01 -0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.79 3gjx s PHE 61 Cb -0.15 -2.41 0.10 0.00 -0.57 0.00 0.00 43.02 39.98 3gjx s PHE 61 CO -0.09 -0.26 1.14 -0.80 -0.10 0.00 0.00 175.22 175.11 3gjx s ASN 62 N 1.73 6.46 -0.53 1.36 0.01 0.21 0.88 114.94 125.07 3gjx s ASN 62 Ca 0.07 -1.59 -0.28 0.00 -0.71 0.00 0.00 52.86 50.34 3gjx s ASN 62 Cb -0.17 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 39.08 3gjx s ASN 62 CO 0.10 -1.27 1.31 -0.69 -1.51 0.00 0.00 177.10 175.04 3gjx s VAL 63 N 3.56 3.94 -1.16 1.60 1.01 0.41 -2.21 120.40 127.56 3gjx s VAL 63 Ca 0.32 0.87 -0.19 0.00 0.00 0.00 0.00 61.98 62.98 3gjx s VAL 63 Cb -0.08 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.88 3gjx s VAL 63 CO -0.03 -1.13 1.54 0.26 0.00 0.00 0.00 175.10 175.74 3gjx s TRP 64 N 5.38 2.84 -0.67 5.22 0.52 -0.36 -0.19 118.94 131.69 3gjx s TRP 64 Ca 0.50 -1.42 -0.26 0.00 0.02 0.00 0.00 56.10 54.94 3gjx s TRP 64 Cb -0.10 -4.63 -0.02 0.00 -1.15 0.00 0.00 33.47 27.58 3gjx s TRP 64 CO 0.28 -1.76 1.83 0.34 0.02 0.00 0.00 176.95 177.66 3gjx s ASP 65 N 4.21 5.32 0.41 2.95 2.15 -0.92 -1.89 116.67 128.90 3gjx s ASP 65 Ca 0.47 0.12 -0.00 0.00 0.43 0.00 0.00 52.55 53.57 3gjx s ASP 65 Cb 0.01 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 3gjx s ASP 65 CO -0.01 -2.39 0.63 0.42 -0.17 0.00 0.00 175.17 173.65 3gjx s THR 66 N 8.96 4.60 0.06 1.71 -4.23 -0.97 -1.92 115.64 123.86 3gjx s THR 66 Ca 0.65 -0.40 -0.28 0.00 -1.18 0.00 0.00 61.69 60.48 3gjx s THR 66 Cb -0.11 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 3gjx s THR 66 CO 0.17 -0.50 0.87 0.00 -0.54 0.00 0.00 174.62 174.62 3gjx s ALA 67 N -2.47 3.28 -0.26 3.99 0.00 0.13 -4.84 121.76 121.60 3gjx s ALA 67 Ca 0.44 0.43 0.23 0.00 0.00 0.00 0.00 51.96 53.06 3gjx s ALA 67 Cb -0.10 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3gjx s ALA 67 CO 0.38 -0.03 0.95 0.41 0.00 0.00 0.00 175.76 177.47 3gjx n GLY 68 N 2.47 -1.35 3.74 0.00 0.00 -1.25 -4.65 105.19 104.15 3gjx n GLY 68 Ca 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3gjx n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gjx s LEU 69 N -5.01 4.48 0.17 0.99 2.96 -1.26 -3.52 118.68 117.49 3gjx s LEU 69 Ca -0.01 2.19 -0.13 0.00 -0.22 0.00 0.00 54.13 55.96 3gjx s LEU 69 Cb 0.11 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.26 3gjx s LEU 69 CO 0.81 -0.27 1.75 -0.08 -1.32 0.00 0.00 176.35 177.24 3gjx h GLU 70 N 4.90 0.81 -0.20 1.98 4.22 -2.00 -2.18 114.58 122.11 3gjx h GLU 70 Ca -0.45 -0.12 0.04 0.00 0.08 0.00 0.00 59.36 58.91 3gjx h GLU 70 Cb 1.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3gjx h GLU 70 CO 0.72 0.66 0.14 0.87 -2.18 0.00 0.00 179.01 179.22 3gjx h LYS 71 N 0.76 0.08 -0.24 1.92 1.57 -1.99 -2.81 116.57 115.87 3gjx h LYS 71 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3gjx h LYS 71 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gjx h LYS 71 CO -0.02 0.06 0.00 1.19 -0.57 0.00 0.00 179.45 180.10 3gjx n PHE 72 N -4.49 0.61 -0.30 -1.35 3.72 -0.97 -4.70 117.46 109.97 3gjx n PHE 72 Ca 0.01 -0.74 0.14 0.00 -0.05 0.00 0.00 57.45 56.81 3gjx n PHE 72 Cb 0.22 -0.18 0.31 0.00 -0.94 0.00 0.00 39.48 38.89 3gjx n PHE 72 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gjx h GLY 73 N 1.54 1.52 0.00 1.37 0.00 -1.13 0.33 103.07 106.71 3gjx h GLY 73 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3gjx h GLY 73 CO 0.11 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.94 3gjx n GLY 74 N -1.34 1.39 0.00 4.60 0.00 -1.26 -3.17 105.19 105.40 3gjx n GLY 74 Ca 0.23 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3gjx n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gjx n LEU 75 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.93 117.00 116.56 3gjx n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gjx n LEU 75 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gjx n LEU 75 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.60 3gjx n ARG 76 N -0.99 0.00 0.28 3.23 5.12 -1.19 -0.31 116.66 122.80 3gjx n ARG 76 Ca 0.19 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.27 3gjx n ARG 76 Cb 0.09 0.00 0.78 0.00 -1.16 0.00 0.00 32.46 32.16 3gjx n ARG 76 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 3gjx h ASP 77 N 2.14 0.00 -0.60 0.55 2.03 -1.93 0.74 116.42 119.36 3gjx h ASP 77 Ca 0.00 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.47 3gjx h ASP 77 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 3gjx h ASP 77 CO 0.00 0.00 0.43 1.23 -1.03 0.00 0.00 179.24 179.87 3gjx h GLY 78 N 0.00 0.08 2.00 7.15 0.00 -1.07 0.11 103.07 111.34 3gjx h GLY 78 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 3gjx h GLY 78 CO -0.00 0.01 -0.45 -0.97 0.00 0.00 0.00 176.54 175.13 3gjx h TYR 79 N 0.05 0.00 -0.31 5.60 0.05 -0.96 -3.22 116.97 118.17 3gjx h TYR 79 Ca 0.28 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.97 3gjx h TYR 79 Cb 1.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 3gjx h TYR 79 CO -0.00 0.45 -0.19 1.88 -1.05 0.00 0.00 178.16 179.25 3gjx h TYR 80 N 0.00 0.64 -0.73 4.88 0.05 -1.13 -3.45 116.97 117.24 3gjx h TYR 80 Ca -0.00 -0.12 -0.61 0.00 0.05 0.00 0.00 58.73 58.05 3gjx h TYR 80 Cb 0.85 -0.16 0.02 0.00 1.01 0.00 0.00 36.73 38.45 3gjx h TYR 80 CO 0.00 0.73 0.27 -0.89 -1.05 0.00 0.00 178.16 177.21 3gjx n ILE 81 N -4.15 0.00 -0.95 -2.88 5.41 -1.22 -0.20 119.36 115.37 3gjx n ILE 81 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3gjx n ILE 81 Cb 0.38 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 3gjx n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gjx n GLN 82 N 1.97 -0.24 -1.47 0.38 6.02 -1.26 -5.00 117.38 117.78 3gjx n GLN 82 Ca 0.18 0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.88 3gjx n GLN 82 Cb 0.01 -3.21 0.09 0.00 1.02 0.00 0.00 30.24 28.15 3gjx n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gjx n ALA 83 N 1.00 0.55 0.11 -1.58 0.00 0.72 -4.84 120.51 116.46 3gjx n ALA 83 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.32 3gjx n ALA 83 Cb 0.06 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.24 3gjx n ALA 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gjx n GLN 84 N -2.33 2.64 -3.57 0.00 6.02 -0.07 -5.00 117.38 115.07 3gjx n GLN 84 Ca 0.15 -0.34 0.03 0.00 -0.01 0.00 0.00 57.00 56.83 3gjx n GLN 84 Cb 0.49 -0.84 -0.00 0.00 1.02 0.00 0.00 30.24 30.91 3gjx n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gjx s ALA 86 N -2.03 -1.40 -0.22 0.00 0.00 -0.60 -2.47 121.76 115.04 3gjx s ALA 86 Ca 0.14 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3gjx s ALA 86 Cb 0.07 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.09 3gjx s ALA 86 CO -0.06 -0.79 -0.09 0.42 0.00 0.00 0.00 175.76 175.24 3gjx s ILE 87 N -3.79 1.66 -0.16 0.00 1.01 -0.95 -0.88 121.20 118.09 3gjx s ILE 87 Ca 0.03 -1.15 -0.21 0.00 0.00 0.00 0.00 60.65 59.33 3gjx s ILE 87 Cb -0.01 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3gjx s ILE 87 CO -0.09 0.06 0.62 -0.63 0.00 0.00 0.00 174.94 174.89 3gjx s ILE 88 N 1.36 5.05 0.01 2.92 1.01 0.79 -2.32 121.20 130.02 3gjx s ILE 88 Ca -0.04 1.19 0.06 0.00 0.00 0.00 0.00 60.65 61.86 3gjx s ILE 88 Cb -0.18 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3gjx s ILE 88 CO -0.07 0.17 -0.16 -0.32 0.00 0.00 0.00 174.94 174.55 3gjx s MET 89 N 1.53 2.23 0.26 2.79 1.75 0.01 -0.44 119.30 127.42 3gjx s MET 89 Ca 0.30 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 53.88 3gjx s MET 89 Cb -0.16 -2.26 -0.04 0.00 2.84 0.00 0.00 34.83 35.22 3gjx s MET 89 CO 0.12 0.57 0.20 -0.59 -0.65 0.00 0.00 175.02 174.66 3gjx s PHE 90 N -0.87 1.42 -0.22 4.11 -0.12 -0.30 -3.95 117.98 118.05 3gjx s PHE 90 Ca 0.14 -1.50 -0.01 0.00 -0.05 0.00 0.00 56.93 55.51 3gjx s PHE 90 Cb -0.11 -0.62 0.02 0.00 -0.63 0.00 0.00 43.02 41.68 3gjx s PHE 90 CO 0.04 -0.75 -0.10 0.34 -0.05 0.00 0.00 175.22 174.71 3gjx s ASP 91 N -3.25 3.97 0.00 1.98 2.15 -1.26 -0.64 116.67 119.61 3gjx s ASP 91 Ca 0.40 -0.68 0.10 0.00 0.43 0.00 0.00 52.55 52.79 3gjx s ASP 91 Cb 0.05 -1.63 0.44 0.00 -0.30 0.00 0.00 42.92 41.48 3gjx s ASP 91 CO 0.19 -0.06 1.32 1.33 -0.17 0.00 0.00 175.17 177.78 3gjx n VAL 92 N 4.68 1.27 1.64 1.11 0.24 -0.75 -0.28 118.33 126.24 3gjx n VAL 92 Ca -0.18 0.32 0.15 0.00 -2.04 0.00 0.00 64.34 62.58 3gjx n VAL 92 Cb 0.49 -1.14 0.66 0.00 -1.47 0.00 0.00 33.84 32.37 3gjx n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gjx n THR 93 N -1.49 0.00 -3.66 3.34 -2.24 -1.26 -0.39 114.28 108.58 3gjx n THR 93 Ca 0.03 -0.15 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 3gjx n THR 93 Cb 0.12 0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.33 3gjx n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gjx s SER 94 N -2.06 3.22 0.25 3.42 0.15 0.62 -4.71 113.70 114.60 3gjx s SER 94 Ca 0.40 -1.09 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 3gjx s SER 94 Cb 0.21 -0.52 0.41 0.00 -1.71 0.00 0.00 66.02 64.41 3gjx s SER 94 CO 0.36 -0.37 1.84 0.03 1.20 0.00 0.00 173.24 176.30 3gjx h ARG 95 N 8.29 0.92 -0.87 5.44 3.08 -1.85 -2.14 114.38 127.25 3gjx h ARG 95 Ca -0.16 -0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.03 3gjx h ARG 95 Cb 1.07 -0.21 -0.12 0.00 0.08 0.00 0.00 29.97 30.80 3gjx h ARG 95 CO 0.38 0.61 0.38 0.28 -1.07 0.00 0.00 179.97 180.55 3gjx h VAL 96 N 0.95 0.53 -0.47 2.04 2.07 -1.95 -2.72 116.25 116.69 3gjx h VAL 96 Ca 0.42 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.72 3gjx h VAL 96 Cb 0.30 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3gjx h VAL 96 CO -0.22 0.08 0.03 0.71 0.02 0.00 0.00 177.57 178.19 3gjx h THR 97 N 0.43 1.26 0.05 2.57 1.35 -1.70 -2.44 112.91 114.43 3gjx h THR 97 Ca 0.52 -1.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.40 3gjx h THR 97 Cb 0.94 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 3gjx h THR 97 CO -0.49 0.35 -0.14 0.22 -0.25 0.00 0.00 175.52 175.21 3gjx h TYR 98 N 0.67 -0.35 -0.04 4.73 3.20 -1.59 -2.58 116.97 121.01 3gjx h TYR 98 Ca 0.14 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3gjx h TYR 98 Cb 0.46 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3gjx h TYR 98 CO 0.03 -0.20 0.15 0.87 -1.64 0.00 0.00 178.16 177.37 3gjx h LYS 99 N -0.26 0.00 0.00 1.82 1.79 -1.17 0.02 116.57 118.77 3gjx h LYS 99 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3gjx h LYS 99 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3gjx h LYS 99 CO -0.10 0.00 -0.32 0.09 -1.08 0.00 0.00 179.45 178.04 3gjx n ASN 100 N -3.23 0.63 -0.25 0.86 3.02 -0.95 -4.19 115.26 111.15 3gjx n ASN 100 Ca -0.02 0.28 0.01 0.00 -0.03 0.00 0.00 54.58 54.82 3gjx n ASN 100 Cb 0.22 -0.24 0.08 0.00 -0.61 0.00 0.00 39.78 39.23 3gjx n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gjx h VAL 101 N 0.00 0.27 -0.51 2.41 2.07 -0.90 0.19 116.25 119.77 3gjx h VAL 101 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3gjx h VAL 101 Cb 0.68 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3gjx h VAL 101 CO 0.00 0.00 0.35 -0.65 0.02 0.00 0.00 177.57 177.29 3gjx h PRO 102 N -0.01 0.26 -0.23 1.57 0.11 -1.77 0.37 132.00 132.31 3gjx h PRO 102 Ca 0.34 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.40 3gjx h PRO 102 Cb 0.53 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3gjx h PRO 102 CO -0.75 0.17 -0.02 -0.91 -0.21 0.00 0.00 178.00 176.28 3gjx h ASN 103 N 0.27 0.41 -0.75 -2.05 2.35 -0.91 0.46 115.58 115.35 3gjx h ASN 103 Ca 0.23 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3gjx h ASN 103 Cb 0.58 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3gjx h ASN 103 CO -0.05 0.65 0.34 -0.50 -1.65 0.00 0.00 177.43 176.22 3gjx h TRP 104 N 0.17 1.10 -0.61 1.19 4.06 -0.55 -1.90 115.95 119.41 3gjx h TRP 104 Ca 0.06 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3gjx h TRP 104 Cb 0.45 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 3gjx h TRP 104 CO 0.04 0.82 0.18 1.25 -3.56 0.00 0.00 178.44 177.17 3gjx h HIS 105 N 1.07 0.99 0.47 0.49 2.76 -0.26 -2.35 115.15 118.32 3gjx h HIS 105 Ca 0.26 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3gjx h HIS 105 Cb 0.15 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 3gjx h HIS 105 CO 0.01 0.82 -0.40 -0.09 -1.30 0.00 0.00 177.93 176.97 3gjx h ARG 106 N 0.87 -0.84 -0.53 5.26 2.43 -0.60 -1.93 114.38 119.04 3gjx h ARG 106 Ca 0.19 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 3gjx h ARG 106 Cb 0.31 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.97 3gjx h ARG 106 CO -0.00 -0.56 0.10 -0.44 -1.51 0.00 0.00 179.97 177.56 3gjx h ASP 107 N -0.87 -0.01 -0.37 -3.80 3.32 -1.35 -2.06 116.42 111.28 3gjx h ASP 107 Ca -0.05 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3gjx h ASP 107 Cb 0.75 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3gjx h ASP 107 CO -0.03 0.02 0.12 0.25 -1.72 0.00 0.00 179.24 177.89 3gjx h LEU 108 N 0.24 0.53 0.00 1.55 5.85 -1.21 -3.15 115.31 119.11 3gjx h LEU 108 Ca 0.27 -0.20 -0.20 0.00 0.84 0.00 0.00 57.88 58.59 3gjx h LEU 108 Cb 0.38 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3gjx h LEU 108 CO -0.35 0.59 -1.00 -0.37 -0.34 0.00 0.00 178.44 176.96 3gjx h VAL 109 N 0.45 1.58 0.00 1.05 -1.51 -1.17 0.70 116.25 117.34 3gjx h VAL 109 Ca 0.12 -3.26 0.00 0.00 -1.23 0.00 0.00 66.70 62.33 3gjx h VAL 109 Cb 0.24 2.78 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 3gjx h VAL 109 CO -0.01 0.90 0.00 0.03 -1.23 0.00 0.00 177.57 177.26 3gjx h ARG 110 N 0.00 0.00 0.00 5.19 3.08 -1.39 -2.14 114.38 119.12 3gjx h ARG 110 Ca -0.03 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.71 3gjx h ARG 110 Cb 1.75 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.74 3gjx h ARG 110 CO 0.12 0.00 -2.18 0.28 -1.07 0.00 0.00 179.97 177.12 3gjx n VAL 111 N -2.79 1.19 -3.92 2.04 0.31 -0.95 -4.90 118.33 109.30 3gjx n VAL 111 Ca -0.02 -0.51 -0.34 0.00 -0.01 0.00 0.00 64.34 63.46 3gjx n VAL 111 Cb 0.06 -1.10 -0.14 0.00 -0.91 0.00 0.00 33.84 31.76 3gjx n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gjx n GLU 113 N 4.45 0.00 -3.92 0.00 4.07 -1.21 -4.13 120.64 119.91 3gjx n GLU 113 Ca -0.03 0.45 -0.30 0.00 -0.06 0.00 0.00 57.16 57.21 3gjx n GLU 113 Cb 0.42 -1.40 -0.15 0.00 -0.06 0.00 0.00 31.44 30.26 3gjx n GLU 113 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gjx s ASN 114 N -2.11 4.41 0.09 4.31 3.84 -1.26 -4.98 114.94 119.24 3gjx s ASN 114 Ca 0.00 -2.27 0.04 0.00 0.21 0.00 0.00 52.86 50.84 3gjx s ASN 114 Cb 0.00 -1.41 -0.03 0.00 -0.55 0.00 0.00 41.25 39.25 3gjx s ASN 114 CO 0.00 -0.35 -0.11 0.27 -2.79 0.00 0.00 177.10 174.13 3gjx s ILE 115 N 0.76 0.94 0.14 -5.21 -4.36 -1.26 -5.04 121.20 107.17 3gjx s ILE 115 Ca 0.13 -1.54 -0.31 0.00 -0.26 0.00 0.00 60.65 58.66 3gjx s ILE 115 Cb -0.21 -1.25 -0.09 0.00 1.25 0.00 0.00 42.46 42.16 3gjx s ILE 115 CO -0.09 -0.49 1.43 -2.84 0.24 0.00 0.00 174.94 173.19 3gjx s PRO 116 N -2.52 4.30 -0.08 0.37 0.02 -1.26 -4.90 135.00 130.92 3gjx s PRO 116 Ca 0.03 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.21 3gjx s PRO 116 Cb -0.05 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.28 3gjx s PRO 116 CO 0.00 -0.46 -0.08 0.42 -0.33 0.00 0.00 177.00 176.56 3gjx s ILE 117 N 0.95 0.89 -0.08 2.83 1.01 -1.26 -1.56 121.20 123.97 3gjx s ILE 117 Ca 0.65 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 3gjx s ILE 117 Cb -0.39 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3gjx s ILE 117 CO 0.32 0.32 0.08 -0.69 0.00 0.00 0.00 174.94 174.97 3gjx s VAL 118 N 1.26 4.90 -0.16 2.92 1.01 -0.06 -2.67 120.40 127.60 3gjx s VAL 118 Ca -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3gjx s VAL 118 Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3gjx s VAL 118 CO -0.03 0.56 0.06 -0.22 0.00 0.00 0.00 175.10 175.47 3gjx s LEU 119 N -1.13 3.84 -0.08 3.92 0.20 0.17 -0.15 118.68 125.45 3gjx s LEU 119 Ca 0.16 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.11 3gjx s LEU 119 Cb -0.12 -1.95 0.02 0.00 -0.43 0.00 0.00 46.19 43.71 3gjx s LEU 119 CO 0.06 0.23 -0.07 0.00 -0.29 0.00 0.00 176.35 176.27 3gjx s GLY 121 N 1.34 1.67 0.35 0.00 0.00 -0.69 -1.15 107.32 108.83 3gjx s GLY 121 Ca -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.58 3gjx s GLY 121 CO -0.03 1.64 0.60 0.21 0.00 0.00 0.00 173.10 175.52 3gjx s ASN 122 N 2.04 6.35 0.00 1.64 2.47 0.18 -0.80 114.94 126.82 3gjx s ASN 122 Ca 0.26 0.66 0.00 0.00 0.42 0.00 0.00 52.86 54.20 3gjx s ASN 122 Cb -0.13 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3gjx s ASN 122 CO 0.20 -0.31 0.00 0.29 -3.72 0.00 0.00 177.10 173.56 3gjx n LYS 123 N -1.53 0.00 0.00 0.43 5.02 -0.57 -1.81 118.16 119.70 3gjx n LYS 123 Ca -0.02 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.39 3gjx n LYS 123 Cb 0.55 -3.02 0.63 0.00 -0.02 0.00 0.00 35.03 33.18 3gjx n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gjx n VAL 124 N -3.33 0.19 0.19 -0.18 0.24 -1.19 -2.35 118.33 111.89 3gjx n VAL 124 Ca 0.00 0.05 0.08 0.00 -2.04 0.00 0.00 64.34 62.42 3gjx n VAL 124 Cb 0.48 -0.64 0.19 0.00 -1.47 0.00 0.00 33.84 32.40 3gjx n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3gjx h ASP 125 N 0.00 0.00 -2.90 -1.34 2.03 -1.92 -3.44 116.42 108.86 3gjx h ASP 125 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3gjx h ASP 125 Cb 0.21 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.69 3gjx h ASP 125 CO 0.00 0.27 0.89 -0.63 -1.03 0.00 0.00 179.24 178.74 3gjx s ILE 126 N -3.21 4.11 0.28 4.15 1.01 -0.99 -4.89 121.20 121.66 3gjx s ILE 126 Ca 0.04 1.38 0.37 0.00 0.00 0.00 0.00 60.65 62.44 3gjx s ILE 126 Cb 0.07 -3.89 0.39 0.00 0.01 0.00 0.00 42.46 39.04 3gjx s ILE 126 CO 0.69 -0.09 2.11 0.11 0.00 0.00 0.00 174.94 177.76 3gjx h LYS 127 N 8.22 0.00 -3.07 2.79 1.57 -1.90 -3.29 116.57 120.89 3gjx h LYS 127 Ca -0.31 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.68 3gjx h LYS 127 Cb 1.13 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.21 3gjx h LYS 127 CO 0.94 0.00 1.25 -3.47 -0.57 0.00 0.00 179.45 177.60 3gjx n ASP 128 N -2.91 6.07 -4.67 0.86 2.03 -1.26 -5.00 116.55 111.67 3gjx n ASP 128 Ca -0.01 -3.32 -0.42 0.00 0.52 0.00 0.00 54.79 51.55 3gjx n ASP 128 Cb 0.16 -1.34 -0.03 0.00 -0.72 0.00 0.00 41.12 39.19 3gjx n ASP 128 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3gjx s ARG 129 N -1.78 4.25 -0.23 -0.67 3.52 -1.24 -4.77 118.95 118.03 3gjx s ARG 129 Ca 0.35 1.87 0.07 0.00 -0.13 0.00 0.00 55.73 57.88 3gjx s ARG 129 Cb 0.07 -3.72 -0.20 0.00 -1.56 0.00 0.00 34.95 29.54 3gjx s ARG 129 CO 0.06 -0.66 -0.08 1.63 -0.81 0.00 0.00 175.30 175.44 3gjx n LYS 130 N 6.14 0.67 -3.02 5.12 4.76 -0.65 -4.71 118.16 126.47 3gjx n LYS 130 Ca 0.14 0.11 -0.44 0.00 -2.87 0.00 0.00 58.31 55.25 3gjx n LYS 130 Cb 0.44 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 3gjx n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gjx s VAL 131 N -2.52 4.77 0.33 -0.18 1.01 0.48 -4.88 120.40 119.41 3gjx s VAL 131 Ca -0.26 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 3gjx s VAL 131 Cb 0.08 -4.62 -0.11 0.00 0.00 0.00 0.00 36.38 31.73 3gjx s VAL 131 CO 0.69 -1.31 1.40 -0.54 0.00 0.00 0.00 175.10 175.34 3gjx s LYS 132 N 2.71 4.25 0.52 2.72 -0.14 -1.26 -4.89 119.74 123.66 3gjx s LYS 132 Ca 0.21 2.37 0.36 0.00 -1.36 0.00 0.00 55.97 57.55 3gjx s LYS 132 Cb -0.15 -3.04 1.53 0.00 -1.68 0.00 0.00 37.83 34.49 3gjx s LYS 132 CO 0.00 -0.36 1.76 0.00 -0.76 0.00 0.00 175.35 175.99 3gjx h ALA 133 N 3.55 3.12 -0.39 5.17 0.00 -1.96 0.15 119.26 128.89 3gjx h ALA 133 Ca -0.49 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.42 3gjx h ALA 133 Cb 1.23 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3gjx h ALA 133 CO 0.67 -1.51 0.26 -0.22 0.00 0.00 0.00 179.25 178.45 3gjx h LYS 134 N 0.05 0.40 0.00 0.00 3.64 -2.02 -2.77 116.57 115.86 3gjx h LYS 134 Ca 0.64 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 3gjx h LYS 134 Cb 2.42 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.15 3gjx h LYS 134 CO -0.06 0.26 -0.46 0.43 -2.27 0.00 0.00 179.45 177.35 3gjx n SER 135 N -4.48 0.48 -4.50 4.20 7.64 0.52 -4.72 113.62 112.76 3gjx n SER 135 Ca 0.04 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 3gjx n SER 135 Cb 0.16 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 3gjx n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gjx s ILE 136 N -3.04 4.11 0.00 0.44 1.01 -1.05 -4.64 121.20 118.03 3gjx s ILE 136 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3gjx s ILE 136 Cb 0.17 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.82 3gjx s ILE 136 CO 0.68 -1.65 0.00 1.33 0.00 0.00 0.00 174.94 175.30 3gjx n VAL 137 N 6.14 0.00 -0.35 2.92 0.24 -1.26 -4.88 118.33 121.13 3gjx n VAL 137 Ca 0.05 -0.01 0.27 0.00 -2.04 0.00 0.00 64.34 62.60 3gjx n VAL 137 Cb 0.48 0.81 0.56 0.00 -1.47 0.00 0.00 33.84 34.21 3gjx n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3gjx h PHE 138 N 0.00 0.58 0.00 6.34 3.57 -2.00 -0.28 116.94 125.15 3gjx h PHE 138 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3gjx h PHE 138 Cb 0.00 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3gjx h PHE 138 CO 0.00 -0.01 -0.07 1.12 -2.23 0.00 0.00 178.31 177.12 3gjx h HIS 139 N 0.29 0.00 -0.12 0.41 2.07 -1.90 -3.29 115.15 112.61 3gjx h HIS 139 Ca 0.65 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 58.21 3gjx h HIS 139 Cb 1.83 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.76 3gjx h HIS 139 CO -0.00 0.07 -0.16 0.00 -3.07 0.00 0.00 177.93 174.77 3gjx h ARG 140 N 0.00 -0.19 0.00 5.12 -0.00 -1.31 -1.20 114.38 116.80 3gjx h ARG 140 Ca -0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 3gjx h ARG 140 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.43 3gjx h ARG 140 CO 0.01 -0.13 -0.56 1.63 0.00 0.00 0.00 179.97 180.92 3gjx n LYS 141 N -5.30 0.13 -0.03 0.04 5.02 -1.24 -2.94 118.16 113.84 3gjx n LYS 141 Ca -0.03 0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3gjx n LYS 141 Cb 0.22 -1.58 0.39 0.00 -0.02 0.00 0.00 35.03 34.04 3gjx n LYS 141 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gjx n LYS 142 N -1.76 1.87 -3.82 1.97 4.76 -1.12 -4.95 118.16 115.11 3gjx n LYS 142 Ca 0.04 -1.28 -0.26 0.00 -2.87 0.00 0.00 58.31 53.95 3gjx n LYS 142 Cb 0.38 -1.46 0.02 0.00 -1.84 0.00 0.00 35.03 32.14 3gjx n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gjx n ASN 143 N 0.53 -2.70 -4.85 4.39 3.02 -0.87 -5.00 115.26 109.79 3gjx n ASN 143 Ca 0.17 -0.82 -0.22 0.00 -0.03 0.00 0.00 54.58 53.68 3gjx n ASN 143 Cb 0.41 -3.89 -0.04 0.00 -0.61 0.00 0.00 39.78 35.66 3gjx n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gjx s LEU 144 N -6.97 3.91 0.10 3.41 1.43 -0.51 -4.90 118.68 115.14 3gjx s LEU 144 Ca 0.30 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3gjx s LEU 144 Cb -0.15 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 3gjx s LEU 144 CO 0.83 -0.03 0.44 -1.58 0.23 0.00 0.00 176.35 176.23 3gjx s GLN 145 N -3.80 3.81 -0.02 1.70 2.00 -1.09 -4.68 119.66 117.59 3gjx s GLN 145 Ca 0.33 0.24 0.07 0.00 -2.00 0.00 0.00 55.36 54.00 3gjx s GLN 145 Cb -0.08 -2.97 -0.02 0.00 0.80 0.00 0.00 33.01 30.74 3gjx s GLN 145 CO 0.26 0.54 -0.22 -0.47 -0.50 0.00 0.00 175.29 174.90 3gjx s TYR 146 N -1.42 1.94 -0.02 1.67 5.04 -1.26 0.45 117.35 123.74 3gjx s TYR 146 Ca 0.34 -0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.59 3gjx s TYR 146 Cb -0.14 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 40.94 3gjx s TYR 146 CO 0.18 -0.03 0.06 0.71 -1.34 0.00 0.00 175.55 175.13 3gjx s TYR 147 N -0.51 -0.06 0.01 4.97 2.02 -0.51 -4.97 117.35 118.31 3gjx s TYR 147 Ca 0.08 0.17 -0.30 0.00 -0.37 0.00 0.00 57.07 56.65 3gjx s TYR 147 Cb -0.08 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.40 3gjx s TYR 147 CO -0.01 -0.05 1.28 -0.51 -1.57 0.00 0.00 175.55 174.69 3gjx s ASP 148 N 0.30 6.98 0.12 2.29 1.11 -1.26 -1.71 116.67 124.50 3gjx s ASP 148 Ca -0.02 2.01 0.04 0.00 0.18 0.00 0.00 52.55 54.75 3gjx s ASP 148 Cb -0.03 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 3gjx s ASP 148 CO -0.01 -0.60 -0.09 0.27 1.18 0.00 0.00 175.17 175.92 3gjx s ILE 149 N 1.82 0.99 -0.05 0.77 -4.36 0.02 -4.52 121.20 115.87 3gjx s ILE 149 Ca 0.60 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 3gjx s ILE 149 Cb -0.29 -1.71 0.03 0.00 1.25 0.00 0.00 42.46 41.73 3gjx s ILE 149 CO 0.26 -0.75 0.01 -0.55 0.24 0.00 0.00 174.94 174.15 3gjx s SER 150 N -3.00 1.13 0.30 4.36 0.15 -0.64 -1.50 113.70 114.49 3gjx s SER 150 Ca 0.13 -0.04 0.14 0.00 0.70 0.00 0.00 55.95 56.88 3gjx s SER 150 Cb 0.02 -0.32 0.39 0.00 -1.71 0.00 0.00 66.02 64.40 3gjx s SER 150 CO -0.01 -0.17 1.60 0.00 1.20 0.00 0.00 173.24 175.86 3gjx h ALA 151 N 7.97 0.87 0.38 5.45 0.00 -1.94 -0.62 119.26 131.36 3gjx h ALA 151 Ca -0.26 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3gjx h ALA 151 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gjx h ALA 151 CO 0.31 0.69 -0.18 -0.22 0.00 0.00 0.00 179.25 179.85 3gjx h LYS 152 N 0.00 -0.49 -0.18 0.00 3.64 -1.95 -3.32 116.57 114.27 3gjx h LYS 152 Ca -0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gjx h LYS 152 Cb 1.13 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3gjx h LYS 152 CO 0.07 -0.21 0.00 -1.13 -2.27 0.00 0.00 179.45 175.92 3gjx n SER 153 N -5.13 1.96 -1.32 4.20 3.41 -1.25 -4.93 113.62 110.56 3gjx n SER 153 Ca -0.08 -1.74 -0.16 0.00 -0.26 0.00 0.00 58.87 56.63 3gjx n SER 153 Cb 0.26 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3gjx n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gjx n ASN 154 N 0.52 -4.84 -4.69 4.04 5.03 -0.27 -4.94 115.26 110.10 3gjx n ASN 154 Ca 0.17 0.30 -0.42 0.00 0.87 0.00 0.00 54.58 55.50 3gjx n ASN 154 Cb 0.38 -3.77 -0.03 0.00 -1.02 0.00 0.00 39.78 35.34 3gjx n ASN 154 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3gjx s TYR 155 N -2.62 3.15 -1.21 3.10 5.04 -1.04 -3.19 117.35 120.58 3gjx s TYR 155 Ca 0.00 1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 55.70 3gjx s TYR 155 Cb 0.00 -3.49 0.03 0.00 0.35 0.00 0.00 41.96 38.85 3gjx s TYR 155 CO 0.00 -1.64 0.29 0.09 -1.34 0.00 0.00 175.55 172.95 3gjx n ASN 156 N 4.95 -4.07 -0.35 4.32 5.03 -1.26 -1.62 115.26 122.26 3gjx n ASN 156 Ca 0.11 -0.12 0.07 0.00 0.87 0.00 0.00 54.58 55.51 3gjx n ASN 156 Cb 0.45 -3.40 0.24 0.00 -1.02 0.00 0.00 39.78 36.06 3gjx n ASN 156 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3gjx h PHE 157 N -0.60 1.10 0.00 3.10 -0.00 -1.84 -2.80 116.94 115.91 3gjx h PHE 157 Ca -0.38 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 3gjx h PHE 157 Cb 1.27 -0.34 0.00 0.00 -0.00 0.00 0.00 35.95 36.87 3gjx h PHE 157 CO 0.67 0.42 -1.10 0.39 -0.00 0.00 0.00 178.31 178.68 3gjx n GLU 158 N -4.65 0.10 -0.20 1.11 1.02 -1.26 -4.61 120.64 112.14 3gjx n GLU 158 Ca 0.19 -0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 3gjx n GLU 158 Cb 0.37 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.33 3gjx n GLU 158 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3gjx h LYS 159 N 0.00 -0.03 -0.70 3.49 1.79 -1.89 0.50 116.57 119.74 3gjx h LYS 159 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 3gjx h LYS 159 Cb 0.57 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.15 3gjx h LYS 159 CO 0.00 -0.02 0.30 -1.35 -1.08 0.00 0.00 179.45 177.30 3gjx h PRO 160 N -0.03 0.47 -0.02 3.15 0.11 -1.82 -1.43 132.00 132.43 3gjx h PRO 160 Ca 0.28 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3gjx h PRO 160 Cb 0.46 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3gjx h PRO 160 CO -0.63 0.31 -0.05 0.74 -0.21 0.00 0.00 178.00 178.17 3gjx h PHE 161 N 0.49 0.09 -0.26 0.65 0.04 -1.29 -1.85 116.94 114.81 3gjx h PHE 161 Ca 0.36 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.16 3gjx h PHE 161 Cb 0.46 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.53 3gjx h PHE 161 CO -0.15 0.64 -0.18 1.25 -0.60 0.00 0.00 178.31 179.27 3gjx h LEU 162 N -0.48 -0.60 -0.14 1.54 5.85 -0.92 0.42 115.31 120.97 3gjx h LEU 162 Ca 0.00 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3gjx h LEU 162 Cb 0.63 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3gjx h LEU 162 CO 0.01 -0.22 -0.08 -0.25 -0.34 0.00 0.00 178.44 177.56 3gjx h TRP 163 N -0.17 -0.18 -0.97 1.25 7.01 -1.30 0.84 115.95 122.43 3gjx h TRP 163 Ca 0.14 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.20 3gjx h TRP 163 Cb 0.39 0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.49 3gjx h TRP 163 CO -0.36 -0.12 0.63 -0.07 -2.79 0.00 0.00 178.44 175.73 3gjx h LEU 164 N -0.07 1.05 -0.72 0.65 3.38 -0.81 -1.31 115.31 117.48 3gjx h LEU 164 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3gjx h LEU 164 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3gjx h LEU 164 CO -0.19 0.72 0.23 0.00 0.09 0.00 0.00 178.44 179.28 3gjx h ALA 165 N 1.40 0.94 0.00 1.53 0.00 0.40 -0.11 119.26 123.42 3gjx h ALA 165 Ca 0.39 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3gjx h ALA 165 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3gjx h ALA 165 CO -0.13 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.38 3gjx h ARG 166 N 1.06 0.00 0.16 0.00 3.08 -0.24 -2.33 114.38 116.12 3gjx h ARG 166 Ca 0.23 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.96 3gjx h ARG 166 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3gjx h ARG 166 CO -0.01 0.37 -1.61 0.87 -1.07 0.00 0.00 179.97 178.52 3gjx h LYS 167 N 0.00 0.34 0.00 0.04 1.79 -0.90 -2.03 116.57 115.80 3gjx h LYS 167 Ca -0.00 -0.58 -0.12 0.00 -2.18 0.00 0.00 60.65 57.77 3gjx h LYS 167 Cb 0.71 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 3gjx h LYS 167 CO 0.05 1.23 -0.55 -0.07 -1.08 0.00 0.00 179.45 179.02 3gjx h LEU 168 N 0.09 0.00 0.00 2.94 3.38 -1.00 -3.32 115.31 117.40 3gjx h LEU 168 Ca -0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 3gjx h LEU 168 Cb 2.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.79 3gjx h LEU 168 CO 0.18 0.55 -1.07 0.40 0.09 0.00 0.00 178.44 178.59 3gjx h ILE 169 N 0.00 0.99 0.00 1.22 1.08 -1.54 -3.49 117.51 115.76 3gjx h ILE 169 Ca -0.01 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 3gjx h ILE 169 Cb 1.11 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 3gjx h ILE 169 CO 0.07 0.33 0.00 0.61 -0.69 0.00 0.00 178.15 178.48 3gjx n GLY 170 N 1.46 1.14 3.15 5.37 0.00 -0.78 -5.09 105.19 110.45 3gjx n GLY 170 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3gjx n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gjx s ASP 171 N -1.86 5.41 0.59 1.61 -1.08 -1.13 -4.94 116.67 115.28 3gjx s ASP 171 Ca 0.00 -2.03 0.35 0.00 -0.52 0.00 0.00 52.55 50.35 3gjx s ASP 171 Cb 0.00 -1.89 1.83 0.00 -1.46 0.00 0.00 42.92 41.40 3gjx s ASP 171 CO 0.00 -0.59 2.19 1.55 0.52 0.00 0.00 175.17 178.84 3gjx h PRO 172 N 8.15 0.00 -0.00 4.34 0.13 -1.98 -2.15 132.00 140.49 3gjx h PRO 172 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3gjx h PRO 172 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3gjx h PRO 172 CO 0.75 0.04 -0.50 0.09 -0.23 0.00 0.00 178.00 178.15 3gjx n ASN 173 N -3.36 0.90 -4.64 1.44 3.02 -1.26 -4.91 115.26 106.44 3gjx n ASN 173 Ca -0.02 -0.69 -0.47 0.00 -0.03 0.00 0.00 54.58 53.36 3gjx n ASN 173 Cb 0.17 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 3gjx n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3gjx n LEU 174 N -1.09 2.55 -3.54 3.41 7.94 -0.81 -4.98 117.00 120.49 3gjx n LEU 174 Ca 0.08 1.12 -0.16 0.00 -1.11 0.00 0.00 56.01 55.94 3gjx n LEU 174 Cb 0.35 -1.34 -0.13 0.00 0.53 0.00 0.00 43.42 42.83 3gjx n LEU 174 CO 0.33 -0.66 -0.17 -1.83 -1.11 0.00 0.00 177.39 173.95 3gjx s GLU 175 N 0.25 0.19 -0.89 1.96 -1.05 -1.26 -4.94 118.70 112.96 3gjx s GLU 175 Ca 0.76 0.43 -0.22 0.00 -0.15 0.00 0.00 54.97 55.79 3gjx s GLU 175 Cb -0.76 -0.71 0.08 0.00 -0.44 0.00 0.00 34.13 32.30 3gjx s GLU 175 CO 0.45 -0.52 1.23 -0.59 0.95 0.00 0.00 175.26 176.78 3gjx s PHE 176 N 2.38 2.71 0.31 4.83 -0.71 -1.26 -2.06 117.98 124.18 3gjx s PHE 176 Ca 0.06 -0.86 0.10 0.00 -1.04 0.00 0.00 56.93 55.19 3gjx s PHE 176 Cb -0.14 -4.48 -0.05 0.00 -1.21 0.00 0.00 43.02 37.13 3gjx s PHE 176 CO -0.11 -1.76 -0.10 0.54 -1.34 0.00 0.00 175.22 172.45 3gjx s VAL 177 N 4.17 2.56 0.19 -2.49 0.11 -1.22 -4.89 120.40 118.82 3gjx s VAL 177 Ca 0.36 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.21 3gjx s VAL 177 Cb -0.06 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 3gjx s VAL 177 CO -0.03 -0.29 0.00 0.00 -3.33 0.00 0.00 175.10 171.45 3gjx n ALA 178 N -0.78 -2.92 -0.39 1.54 0.00 -1.26 -4.72 120.51 111.98 3gjx n ALA 178 Ca -0.05 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3gjx n ALA 178 Cb 0.61 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3gjx n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50