#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjx s GLN 10 N 0.00 3.51 -0.03 1.45 -0.21 -1.26 -3.06 119.66 120.05 3gjx s GLN 10 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.23 3gjx s GLN 10 Cb 0.00 -3.10 0.01 0.00 1.00 0.00 0.00 33.01 30.92 3gjx s GLN 10 CO 0.00 0.68 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.73 3gjx s PHE 11 N -1.27 0.76 -0.18 0.91 0.08 0.04 -5.00 117.98 113.33 3gjx s PHE 11 Ca 0.26 -0.20 -0.28 0.00 0.12 0.00 0.00 56.93 56.83 3gjx s PHE 11 Cb -0.13 -0.62 -0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3gjx s PHE 11 CO 0.15 -0.15 0.95 0.21 -0.10 0.00 0.00 175.22 176.29 3gjx s LYS 12 N 0.61 4.31 -0.25 0.44 2.20 -1.26 -0.59 119.74 125.19 3gjx s LYS 12 Ca -0.08 1.23 -0.00 0.00 -0.36 0.00 0.00 55.97 56.76 3gjx s LYS 12 Cb -0.12 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.68 3gjx s LYS 12 CO 0.00 -0.45 0.01 -1.17 -0.36 0.00 0.00 175.35 173.38 3gjx s LEU 13 N 2.55 2.38 0.13 5.43 0.20 -0.89 -0.88 118.68 127.61 3gjx s LEU 13 Ca 0.43 -1.29 -0.24 0.00 0.69 0.00 0.00 54.13 53.71 3gjx s LEU 13 Cb -0.16 -1.02 -0.07 0.00 -0.43 0.00 0.00 46.19 44.51 3gjx s LEU 13 CO 0.11 -0.30 0.75 0.54 -0.29 0.00 0.00 176.35 177.15 3gjx s VAL 14 N 1.50 4.48 -0.30 1.68 0.11 -1.01 -1.32 120.40 125.54 3gjx s VAL 14 Ca 0.00 1.63 -0.01 0.00 -2.93 0.00 0.00 61.98 60.67 3gjx s VAL 14 Cb -0.18 -4.10 0.06 0.00 -1.53 0.00 0.00 36.38 30.62 3gjx s VAL 14 CO -0.11 0.50 -0.00 -0.22 -3.33 0.00 0.00 175.10 171.93 3gjx s LEU 15 N -0.93 3.93 0.40 2.54 0.20 -0.77 -2.24 118.68 121.81 3gjx s LEU 15 Ca 0.35 -1.35 0.08 0.00 0.69 0.00 0.00 54.13 53.90 3gjx s LEU 15 Cb -0.22 -1.70 -0.07 0.00 -0.43 0.00 0.00 46.19 43.78 3gjx s LEU 15 CO 0.25 -0.27 0.05 0.68 -0.29 0.00 0.00 176.35 176.77 3gjx s VAL 16 N 1.22 2.20 0.00 1.68 -7.23 -0.99 -2.29 120.40 114.99 3gjx s VAL 16 Ca -0.05 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3gjx s VAL 16 Cb -0.20 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.80 3gjx s VAL 16 CO -0.02 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 3gjx n GLY 17 N -1.04 2.95 3.48 2.32 0.00 -1.26 -0.86 105.19 110.78 3gjx n GLY 17 Ca -0.04 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 3gjx n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gjx s ASP 18 N 0.00 0.76 0.45 1.61 -0.00 -1.26 -3.93 116.67 114.30 3gjx s ASP 18 Ca 0.00 1.33 -0.24 0.00 -0.00 0.00 0.00 52.55 53.64 3gjx s ASP 18 Cb 0.00 -2.04 -0.08 0.00 -0.00 0.00 0.00 42.92 40.80 3gjx s ASP 18 CO 0.00 -4.31 1.20 -0.83 -0.00 0.00 0.00 175.17 171.23 3gjx s GLY 19 N -2.75 2.83 -1.06 0.21 0.00 -1.23 -3.36 107.32 101.97 3gjx s GLY 19 Ca 0.68 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.41 3gjx s GLY 19 CO 0.63 1.50 0.00 0.61 0.00 0.00 0.00 173.10 175.84 3gjx n GLY 20 N 0.54 1.11 0.23 0.20 0.00 -1.26 -4.85 105.19 101.16 3gjx n GLY 20 Ca 0.06 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3gjx n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjx h THR 21 N 0.00 0.00 0.00 2.61 1.03 -1.92 -3.47 112.91 111.16 3gjx h THR 21 Ca -0.20 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 3gjx h THR 21 Cb 0.77 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.68 3gjx h THR 21 CO 0.30 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.42 3gjx n GLY 22 N 0.82 1.40 0.06 2.99 0.00 -1.26 -4.59 105.19 104.60 3gjx n GLY 22 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.02 -0.45 1.61 1.57 -1.91 0.89 116.57 118.29 3gjx h LYS 23 Ca 0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 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 0.35 -0.23 1.15 -0.57 0.00 0.00 179.45 180.15 3gjx h THR 24 N -0.31 1.27 -0.75 -0.16 2.02 -1.95 -1.54 112.91 111.48 3gjx h THR 24 Ca 0.00 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 3gjx h THR 24 Cb 0.34 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3gjx h THR 24 CO 0.00 0.48 0.43 0.74 0.37 0.00 0.00 175.52 177.54 3gjx h THR 25 N 0.80 1.22 0.76 3.16 2.02 -1.91 -0.70 112.91 118.27 3gjx h THR 25 Ca 0.10 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3gjx h THR 25 Cb 0.80 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3gjx h THR 25 CO 0.07 0.24 -0.42 0.15 0.37 0.00 0.00 175.52 175.92 3gjx h PHE 26 N 1.03 -1.11 -0.87 3.16 3.57 -0.55 -2.36 116.94 119.81 3gjx h PHE 26 Ca 0.27 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.82 3gjx h PHE 26 Cb -0.00 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 3gjx h PHE 26 CO -0.00 -0.65 0.57 0.28 -2.23 0.00 0.00 178.31 176.27 3gjx h VAL 27 N -1.09 1.03 -0.51 1.41 2.07 -1.10 -2.27 116.25 115.78 3gjx h VAL 27 Ca -0.10 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3gjx h VAL 27 Cb 0.86 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3gjx h VAL 27 CO 0.13 0.17 0.23 0.50 0.02 0.00 0.00 177.57 178.62 3gjx h LYS 28 N 0.94 0.75 -0.52 1.57 3.64 -0.97 -2.04 116.57 119.94 3gjx h LYS 28 Ca 0.38 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3gjx h LYS 28 Cb 0.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3gjx h LYS 28 CO -0.15 0.64 0.35 0.00 -2.27 0.00 0.00 179.45 178.02 3gjx h ARG 29 N 0.68 0.65 -0.01 1.90 2.47 -0.87 0.00 114.38 119.20 3gjx h ARG 29 Ca 0.17 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.72 3gjx h ARG 29 Cb 0.15 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 3gjx h ARG 29 CO -0.02 0.43 -0.64 0.45 0.56 0.00 0.00 179.97 180.76 3gjx h HIS 30 N 0.67 0.08 0.00 3.04 3.86 -1.17 -1.01 115.15 120.62 3gjx h HIS 30 Ca 0.20 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 3gjx h HIS 30 Cb -0.02 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3gjx h HIS 30 CO -0.00 0.68 -0.90 1.37 0.86 0.00 0.00 177.93 179.93 3gjx h LEU 31 N 0.04 0.00 0.00 2.43 8.10 -0.94 -3.42 115.31 121.52 3gjx h LEU 31 Ca -0.01 -0.42 -0.30 0.00 0.11 0.00 0.00 57.88 57.26 3gjx h LEU 31 Cb 1.13 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.30 3gjx h LEU 31 CO 0.09 1.23 -2.06 0.35 -4.11 0.00 0.00 178.44 173.94 3gjx n THR 32 N -4.51 1.35 -0.66 0.15 -2.24 -0.06 -4.98 114.28 103.34 3gjx n THR 32 Ca -0.23 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 3gjx n THR 32 Cb 0.54 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.62 0.82 3.88 3.38 0.00 -0.38 -5.03 105.19 109.49 3gjx n GLY 33 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.34 3.78 -0.39 1.61 0.41 -1.26 -4.91 118.70 117.59 3gjx s GLU 34 Ca 0.00 0.27 -0.10 0.00 -0.41 0.00 0.00 54.97 54.73 3gjx s GLU 34 Cb 0.00 -2.60 0.05 0.00 -1.78 0.00 0.00 34.13 29.81 3gjx s GLU 34 CO 0.00 0.24 0.22 0.12 -0.49 0.00 0.00 175.26 175.35 3gjx s PHE 35 N -1.96 3.29 -0.03 1.61 5.36 -1.26 -3.70 117.98 121.29 3gjx s PHE 35 Ca 0.48 -1.29 -0.30 0.00 -0.96 0.00 0.00 56.93 54.86 3gjx s PHE 35 Cb -0.11 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 39.85 3gjx s PHE 35 CO 0.24 -0.76 1.31 -2.00 -1.46 0.00 0.00 175.22 172.55 3gjx s GLU 36 N 1.48 4.31 0.08 10.12 2.56 -1.26 -4.92 118.70 131.06 3gjx s GLU 36 Ca 0.02 1.83 0.19 0.00 0.00 0.00 0.00 54.97 57.00 3gjx s GLU 36 Cb -0.21 -3.58 -0.12 0.00 2.00 0.00 0.00 34.13 32.22 3gjx s GLU 36 CO 0.04 -0.53 0.82 1.63 -0.56 0.00 0.00 175.26 176.66 3gjx n LYS 37 N 5.39 0.62 -2.55 4.30 5.02 -1.26 -4.95 118.16 124.74 3gjx n LYS 37 Ca 0.12 0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 56.27 3gjx n LYS 37 Cb 0.45 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 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 -3.07 3.69 -0.52 1.97 1.02 -1.26 -5.04 119.74 116.52 3gjx s LYS 38 Ca -0.03 0.49 -0.04 0.00 0.02 0.00 0.00 55.97 56.41 3gjx s LYS 38 Cb 0.09 -2.30 0.14 0.00 -0.52 0.00 0.00 37.83 35.24 3gjx s LYS 38 CO 0.81 -0.22 0.34 -0.47 -0.92 0.00 0.00 175.35 174.89 3gjx s TYR 39 N -2.67 3.50 -0.42 3.18 5.04 -1.26 -5.02 117.35 119.69 3gjx s TYR 39 Ca 0.52 -2.50 -0.11 0.00 -2.44 0.00 0.00 57.07 52.54 3gjx s TYR 39 Cb -0.10 -3.25 0.06 0.00 0.35 0.00 0.00 41.96 39.02 3gjx s TYR 39 CO 0.40 -0.92 0.28 0.54 -1.34 0.00 0.00 175.55 174.51 3gjx s VAL 40 N 0.59 4.59 0.27 3.14 0.11 -1.26 -5.06 120.40 122.77 3gjx s VAL 40 Ca 0.12 -1.17 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 3gjx s VAL 40 Cb -0.22 -3.72 -0.13 0.00 -1.53 0.00 0.00 36.38 30.78 3gjx s VAL 40 CO -0.04 -0.45 1.35 0.00 -3.33 0.00 0.00 175.10 172.63 3gjx n ALA 41 N 5.01 1.07 -1.77 1.54 0.00 -1.26 -4.94 120.51 120.16 3gjx n ALA 41 Ca -0.11 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 3gjx n ALA 41 Cb 0.44 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 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 -0.38 3.74 -0.38 0.00 2.01 -1.26 -5.01 115.64 114.36 3gjx s THR 42 Ca 0.64 1.48 -0.05 0.00 0.31 0.00 0.00 61.69 64.07 3gjx s THR 42 Cb -0.63 -3.83 0.08 0.00 0.01 0.00 0.00 72.50 68.12 3gjx s THR 42 CO 0.53 0.15 0.17 -0.76 -0.69 0.00 0.00 174.62 174.02 3gjx s LEU 43 N -2.17 4.85 0.00 4.42 1.43 -1.26 -4.60 118.68 121.36 3gjx s LEU 43 Ca 0.52 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 3gjx s LEU 43 Cb -0.24 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3gjx s LEU 43 CO 0.31 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3gjx n GLY 44 N 4.73 1.08 3.21 -3.19 0.00 0.17 -4.72 105.19 106.47 3gjx n GLY 44 Ca -0.08 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.11 -0.10 1.61 0.11 -1.26 0.05 120.40 120.92 3gjx s VAL 45 Ca 0.00 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 3gjx s VAL 45 Cb 0.00 -1.07 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 3gjx s VAL 45 CO 0.00 -0.51 0.16 -1.61 -3.33 0.00 0.00 175.10 169.81 3gjx s GLU 46 N -3.06 0.05 -0.21 1.54 2.02 -0.76 -4.99 118.70 113.30 3gjx s GLU 46 Ca -0.01 0.50 -0.28 0.00 0.02 0.00 0.00 54.97 55.20 3gjx s GLU 46 Cb 0.01 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.81 3gjx s GLU 46 CO -0.07 -0.36 0.99 0.54 0.02 0.00 0.00 175.26 176.38 3gjx s VAL 47 N 2.29 4.74 -0.23 2.63 0.11 -1.26 -2.18 120.40 126.50 3gjx s VAL 47 Ca 0.03 1.93 0.01 0.00 -2.93 0.00 0.00 61.98 61.02 3gjx s VAL 47 Cb -0.13 -4.27 0.06 0.00 -1.53 0.00 0.00 36.38 30.52 3gjx s VAL 47 CO -0.07 -0.12 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.54 3gjx s HIS 48 N 2.88 2.36 0.16 1.54 3.76 0.10 -4.92 115.29 121.17 3gjx s HIS 48 Ca 0.43 -1.73 -0.32 0.00 -0.15 0.00 0.00 55.06 53.29 3gjx s HIS 48 Cb -0.16 -1.57 -0.10 0.00 1.11 0.00 0.00 32.58 31.86 3gjx s HIS 48 CO 0.09 -0.77 1.66 -1.25 -0.85 0.00 0.00 174.74 173.61 3gjx s PRO 49 N 1.41 4.18 -0.07 8.40 0.04 -1.26 -0.26 135.00 147.44 3gjx s PRO 49 Ca -0.06 2.46 0.04 0.00 0.04 0.00 0.00 61.00 63.48 3gjx s PRO 49 Cb -0.19 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3gjx s PRO 49 CO -0.06 -0.69 -0.19 -0.51 0.04 0.00 0.00 177.00 175.59 3gjx s LEU 50 N 1.53 1.91 -0.07 -3.56 1.43 0.26 -4.92 118.68 115.26 3gjx s LEU 50 Ca 0.73 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3gjx s LEU 50 Cb -0.45 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 3gjx s LEU 50 CO 0.32 0.13 -0.14 0.68 0.23 0.00 0.00 176.35 177.57 3gjx s VAL 51 N 0.32 3.09 -0.00 -1.59 -7.23 -1.26 0.40 120.40 114.13 3gjx s VAL 51 Ca -0.12 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.40 3gjx s VAL 51 Cb -0.15 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 3gjx s VAL 51 CO 0.05 0.57 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.92 3gjx s PHE 52 N -0.46 1.25 -0.21 2.82 0.40 0.19 -4.97 117.98 117.00 3gjx s PHE 52 Ca 0.06 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.04 3gjx s PHE 52 Cb -0.12 -0.79 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 3gjx s PHE 52 CO 0.02 -0.01 0.11 -1.58 0.70 0.00 0.00 175.22 174.46 3gjx s HIS 53 N -0.43 3.31 0.34 0.36 2.46 -1.26 0.45 115.29 120.51 3gjx s HIS 53 Ca 0.05 0.17 0.09 0.00 0.47 0.00 0.00 55.06 55.83 3gjx s HIS 53 Cb -0.06 -2.17 -0.06 0.00 -0.13 0.00 0.00 32.58 30.16 3gjx s HIS 53 CO -0.00 0.14 -0.08 0.95 -2.47 0.00 0.00 174.74 173.28 3gjx s THR 54 N 0.63 2.08 0.40 0.89 -4.23 -0.01 0.14 115.64 115.55 3gjx s THR 54 Ca 0.06 -2.17 0.24 0.00 -1.18 0.00 0.00 61.69 58.64 3gjx s THR 54 Cb -0.12 -2.64 0.42 0.00 1.34 0.00 0.00 72.50 71.50 3gjx s THR 54 CO 0.01 -0.20 1.64 -0.55 -0.54 0.00 0.00 174.62 174.98 3gjx h ASN 55 N 2.06 0.33 0.11 3.99 -1.07 -1.59 -0.08 115.58 119.32 3gjx h ASN 55 Ca -0.42 0.16 0.00 0.00 0.07 0.00 0.00 56.30 56.11 3gjx h ASN 55 Cb 1.25 0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.64 3gjx h ASN 55 CO 0.71 -0.19 -0.69 0.54 0.07 0.00 0.00 177.43 177.87 3gjx n ARG 56 N -4.85 0.43 -0.38 4.14 1.74 -1.26 -5.06 116.66 111.42 3gjx n ARG 56 Ca 0.35 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3gjx n ARG 56 Cb 1.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 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 1.46 0.67 3.78 -0.13 0.00 -0.04 -5.11 105.19 105.82 3gjx n GLY 57 Ca 0.07 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.24 4.18 -0.05 1.61 0.02 -1.26 -0.83 135.00 137.42 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 -2.56 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 1.15 -0.20 2.83 -1.16 0.17 -4.87 121.20 117.47 3gjx s ILE 59 Ca 0.57 -0.52 0.01 0.00 -0.51 0.00 0.00 60.65 60.20 3gjx s ILE 59 Cb -0.22 -1.03 0.03 0.00 0.61 0.00 0.00 42.46 41.85 3gjx s ILE 59 CO 0.28 0.35 -0.17 -0.75 -2.81 0.00 0.00 174.94 171.84 3gjx s LYS 60 N 0.40 2.86 -0.31 3.50 2.20 -1.17 -0.64 119.74 126.57 3gjx s LYS 60 Ca -0.09 -0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 54.47 3gjx s LYS 60 Cb -0.13 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 3gjx s LYS 60 CO 0.03 -0.29 0.21 -0.06 -0.36 0.00 0.00 175.35 174.88 3gjx s PHE 61 N 1.26 3.22 -0.82 4.03 0.08 0.16 -0.78 117.98 125.15 3gjx s PHE 61 Ca 0.02 -0.07 -0.22 0.00 0.12 0.00 0.00 56.93 56.79 3gjx s PHE 61 Cb -0.15 -2.43 0.08 0.00 -0.57 0.00 0.00 43.02 39.96 3gjx s PHE 61 CO -0.11 -0.27 1.12 -0.80 -0.10 0.00 0.00 175.22 175.07 3gjx s ASN 62 N 1.74 6.38 -0.56 1.36 0.01 0.24 0.92 114.94 125.03 3gjx s ASN 62 Ca 0.06 -1.37 -0.28 0.00 -0.71 0.00 0.00 52.86 50.56 3gjx s ASN 62 Cb -0.17 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.08 3gjx s ASN 62 CO 0.11 -1.36 1.16 -0.69 -1.51 0.00 0.00 177.10 174.81 3gjx s VAL 63 N 3.89 4.08 -1.17 1.60 1.01 0.64 -2.09 120.40 128.37 3gjx s VAL 63 Ca 0.31 0.93 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 3gjx s VAL 63 Cb -0.09 -4.69 0.08 0.00 0.00 0.00 0.00 36.38 31.68 3gjx s VAL 63 CO 0.01 -1.26 1.56 0.26 0.00 0.00 0.00 175.10 175.67 3gjx s TRP 64 N 4.78 2.80 -0.61 5.22 0.52 -0.43 0.02 118.94 131.24 3gjx s TRP 64 Ca 0.43 -1.40 -0.27 0.00 0.02 0.00 0.00 56.10 54.89 3gjx s TRP 64 Cb -0.08 -4.66 -0.02 0.00 -1.15 0.00 0.00 33.47 27.57 3gjx s TRP 64 CO 0.26 -1.79 1.82 0.34 0.02 0.00 0.00 176.95 177.61 3gjx s ASP 65 N 4.29 5.35 0.37 2.95 2.15 -0.93 -1.84 116.67 129.01 3gjx s ASP 65 Ca 0.48 0.32 0.01 0.00 0.43 0.00 0.00 52.55 53.80 3gjx s ASP 65 Cb 0.01 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3gjx s ASP 65 CO -0.00 -2.32 0.57 0.42 -0.17 0.00 0.00 175.17 173.66 3gjx s THR 66 N 8.79 4.69 0.08 1.71 -4.23 -0.97 -1.82 115.64 123.90 3gjx s THR 66 Ca 0.65 -0.55 -0.27 0.00 -1.18 0.00 0.00 61.69 60.35 3gjx s THR 66 Cb -0.13 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 69.95 3gjx s THR 66 CO 0.21 -0.45 0.84 0.00 -0.54 0.00 0.00 174.62 174.68 3gjx s ALA 67 N -2.36 3.33 -0.21 3.99 0.00 0.11 -4.84 121.76 121.77 3gjx s ALA 67 Ca 0.43 0.41 0.22 0.00 0.00 0.00 0.00 51.96 53.02 3gjx s ALA 67 Cb -0.10 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 3gjx s ALA 67 CO 0.36 0.05 0.87 0.41 0.00 0.00 0.00 175.76 177.45 3gjx n GLY 68 N 2.26 -1.30 3.74 0.00 0.00 -1.25 -4.66 105.19 103.98 3gjx n GLY 68 Ca -0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3gjx n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gjx s LEU 69 N -4.94 4.47 0.13 0.99 1.43 -1.26 -3.54 118.68 115.95 3gjx s LEU 69 Ca -0.02 2.12 -0.21 0.00 -1.03 0.00 0.00 54.13 54.98 3gjx s LEU 69 Cb 0.11 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3gjx s LEU 69 CO 0.83 -0.28 1.69 -0.08 0.23 0.00 0.00 176.35 178.74 3gjx h GLU 70 N 5.26 -0.10 -0.08 1.70 4.22 -2.00 -2.35 114.58 121.23 3gjx h GLU 70 Ca -0.44 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.03 3gjx h GLU 70 Cb 1.21 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3gjx h GLU 70 CO 0.73 -0.06 0.09 0.87 -2.18 0.00 0.00 179.01 178.46 3gjx h LYS 71 N -0.10 0.00 -0.25 1.92 1.57 -1.99 -2.34 116.57 115.38 3gjx h LYS 71 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3gjx h LYS 71 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3gjx h LYS 71 CO -0.21 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.86 3gjx n PHE 72 N -3.87 0.69 -0.31 -1.35 3.72 -0.97 -4.71 117.46 110.67 3gjx n PHE 72 Ca -0.01 -0.78 0.13 0.00 -0.05 0.00 0.00 57.45 56.75 3gjx n PHE 72 Cb 0.19 -0.21 0.31 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.61 1.55 0.00 1.37 0.00 -0.91 0.52 103.07 107.21 3gjx h GLY 73 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3gjx h GLY 73 CO 0.14 -0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.04 3gjx n GLY 74 N -1.33 1.43 0.00 4.60 0.00 -1.26 -3.08 105.19 105.55 3gjx n GLY 74 Ca 0.22 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.93 117.00 116.57 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 -0.97 0.00 -0.05 3.23 1.74 -1.18 -0.35 116.66 119.08 3gjx n ARG 76 Ca 0.19 0.00 0.24 0.00 -0.77 0.00 0.00 57.85 57.52 3gjx n ARG 76 Cb 0.09 0.00 0.63 0.00 -1.02 0.00 0.00 32.46 32.16 3gjx n ARG 76 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3gjx h ASP 77 N 0.05 0.00 -0.71 0.55 3.04 -1.92 0.23 116.42 117.66 3gjx h ASP 77 Ca 0.00 0.00 0.18 0.00 -3.24 0.00 0.00 57.03 53.97 3gjx h ASP 77 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 3gjx h ASP 77 CO 0.00 0.00 0.50 1.23 -2.04 0.00 0.00 179.24 178.93 3gjx h GLY 78 N 0.00 0.24 2.00 7.15 0.00 -1.09 -0.14 103.07 111.23 3gjx h GLY 78 Ca 0.33 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 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 0.13 0.00 -0.28 5.60 0.05 -0.66 -3.21 116.97 118.60 3gjx h TYR 79 Ca 0.34 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.03 3gjx h TYR 79 Cb 1.17 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 3gjx h TYR 79 CO -0.00 0.45 -0.21 1.88 -1.05 0.00 0.00 178.16 179.23 3gjx h TYR 80 N 0.00 0.58 -0.77 4.88 0.05 -1.17 -3.45 116.97 117.09 3gjx h TYR 80 Ca -0.00 -0.11 -0.64 0.00 0.05 0.00 0.00 58.73 58.02 3gjx h TYR 80 Cb 0.88 -0.15 0.03 0.00 1.01 0.00 0.00 36.73 38.50 3gjx h TYR 80 CO 0.00 0.70 0.23 -0.89 -1.05 0.00 0.00 178.16 177.15 3gjx n ILE 81 N -4.14 0.00 -0.97 -2.88 5.41 -1.22 -0.17 119.36 115.40 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 0.39 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 1.88 -0.40 -1.45 0.38 6.02 -1.26 -5.00 117.38 117.55 3gjx n GLN 82 Ca 0.19 0.10 -0.35 0.00 -0.01 0.00 0.00 57.00 56.93 3gjx n GLN 82 Cb 0.02 -3.41 0.09 0.00 1.02 0.00 0.00 30.24 27.96 3gjx n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gjx s ALA 83 N -2.10 2.12 -0.22 -1.58 0.00 0.76 -4.84 121.76 115.90 3gjx s ALA 83 Ca 0.00 0.99 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3gjx s ALA 83 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3gjx s ALA 83 CO 0.00 -1.91 0.32 1.04 0.00 0.00 0.00 175.76 175.21 3gjx n GLN 84 N -2.60 3.21 -3.58 0.00 6.02 -0.06 -5.00 117.38 115.36 3gjx n GLN 84 Ca 0.14 -0.29 0.03 0.00 -0.01 0.00 0.00 57.00 56.87 3gjx n GLN 84 Cb 0.50 -0.81 -0.00 0.00 1.02 0.00 0.00 30.24 30.94 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 -2.18 -1.41 -0.22 0.00 0.00 -0.59 -2.42 121.76 114.94 3gjx s ALA 86 Ca 0.14 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3gjx s ALA 86 Cb 0.06 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.09 3gjx s ALA 86 CO -0.06 -0.78 -0.10 0.42 0.00 0.00 0.00 175.76 175.25 3gjx s ILE 87 N -3.79 1.73 -0.15 0.00 1.01 -0.95 -0.86 121.20 118.18 3gjx s ILE 87 Ca 0.03 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 3gjx s ILE 87 Cb -0.01 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gjx s ILE 87 CO -0.10 0.08 0.64 -0.63 0.00 0.00 0.00 174.94 174.94 3gjx s ILE 88 N 1.34 5.04 0.05 2.92 1.01 0.74 -2.36 121.20 129.93 3gjx s ILE 88 Ca -0.03 1.26 0.07 0.00 0.00 0.00 0.00 60.65 61.95 3gjx s ILE 88 Cb -0.17 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3gjx s ILE 88 CO -0.07 0.17 -0.18 -0.32 0.00 0.00 0.00 174.94 174.53 3gjx s MET 89 N 1.49 2.06 0.26 2.79 1.75 -0.04 -0.46 119.30 127.14 3gjx s MET 89 Ca 0.31 -0.99 -0.01 0.00 -1.25 0.00 0.00 55.69 53.75 3gjx s MET 89 Cb -0.16 -2.19 -0.03 0.00 2.84 0.00 0.00 34.83 35.29 3gjx s MET 89 CO 0.12 0.54 0.26 -0.59 -0.65 0.00 0.00 175.02 174.70 3gjx s PHE 90 N -0.94 1.18 -0.22 4.11 -0.12 -0.37 -3.97 117.98 117.64 3gjx s PHE 90 Ca 0.15 -1.35 -0.01 0.00 -0.05 0.00 0.00 56.93 55.67 3gjx s PHE 90 Cb -0.10 -0.43 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 3gjx s PHE 90 CO 0.06 -0.81 -0.10 0.34 -0.05 0.00 0.00 175.22 174.65 3gjx s ASP 91 N -3.20 3.97 0.00 1.98 2.15 -1.26 -0.67 116.67 119.63 3gjx s ASP 91 Ca 0.36 -0.76 0.10 0.00 0.43 0.00 0.00 52.55 52.68 3gjx s ASP 91 Cb 0.04 -1.61 0.44 0.00 -0.30 0.00 0.00 42.92 41.48 3gjx s ASP 91 CO 0.16 -0.07 1.31 1.33 -0.17 0.00 0.00 175.17 177.73 3gjx n VAL 92 N 4.66 1.24 0.89 1.11 0.24 -0.80 -0.42 118.33 125.25 3gjx n VAL 92 Ca -0.18 0.31 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 3gjx n VAL 92 Cb 0.48 -1.14 0.41 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.47 0.13 -3.86 3.34 -2.24 -1.26 -0.37 114.28 108.54 3gjx n THR 93 Ca 0.03 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 3gjx n THR 93 Cb 0.11 -0.22 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 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 -3.37 4.09 0.39 3.42 0.15 0.44 -4.61 113.70 114.22 3gjx s SER 94 Ca 0.12 -1.59 0.12 0.00 0.70 0.00 0.00 55.95 55.29 3gjx s SER 94 Cb 0.17 -1.12 0.92 0.00 -1.71 0.00 0.00 66.02 64.28 3gjx s SER 94 CO 0.62 -0.35 1.91 0.03 1.20 0.00 0.00 173.24 176.65 3gjx h ARG 95 N 7.94 0.55 -0.76 5.44 -0.00 -1.85 -1.65 114.38 124.05 3gjx h ARG 95 Ca -0.13 -0.03 0.10 0.00 -0.50 0.00 0.00 59.98 59.42 3gjx h ARG 95 Cb 1.04 -0.12 -0.05 0.00 0.00 0.00 0.00 29.97 30.83 3gjx h ARG 95 CO 0.46 0.36 0.50 0.28 0.00 0.00 0.00 179.97 181.57 3gjx h VAL 96 N 0.57 0.92 -0.20 2.04 2.07 -1.94 -2.80 116.25 116.91 3gjx h VAL 96 Ca 0.39 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 67.50 3gjx h VAL 96 Cb 0.70 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3gjx h VAL 96 CO -0.15 0.12 -0.60 0.71 0.02 0.00 0.00 177.57 177.67 3gjx h THR 97 N 0.65 1.29 0.20 2.57 1.35 -1.60 -2.74 112.91 114.64 3gjx h THR 97 Ca 0.35 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3gjx h THR 97 Cb 0.50 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 3gjx h THR 97 CO -0.13 0.57 -0.22 0.22 -0.25 0.00 0.00 175.52 175.72 3gjx h TYR 98 N 0.49 -0.57 -0.58 4.73 3.20 -1.60 -2.59 116.97 120.06 3gjx h TYR 98 Ca -0.02 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.02 3gjx h TYR 98 Cb 1.22 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 3gjx h TYR 98 CO 0.09 -0.32 0.59 0.87 -1.64 0.00 0.00 178.16 177.75 3gjx h LYS 99 N -0.46 0.00 0.00 1.82 1.57 -1.41 0.72 116.57 118.81 3gjx h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gjx h LYS 99 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3gjx h LYS 99 CO -0.06 0.00 -0.32 0.09 -0.57 0.00 0.00 179.45 178.59 3gjx n ASN 100 N -3.71 0.78 -0.28 0.86 3.02 -0.98 -4.20 115.26 110.75 3gjx n ASN 100 Ca 0.11 0.35 0.02 0.00 -0.03 0.00 0.00 54.58 55.03 3gjx n ASN 100 Cb 0.81 -0.31 0.10 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.19 -0.55 2.41 2.07 -0.76 0.19 116.25 119.80 3gjx h VAL 101 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3gjx h VAL 101 Cb 0.75 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3gjx h VAL 101 CO 0.00 0.00 0.37 -0.65 0.02 0.00 0.00 177.57 177.31 3gjx h PRO 102 N -0.00 0.38 -0.21 1.57 0.11 -1.77 0.32 132.00 132.40 3gjx h PRO 102 Ca 0.39 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.45 3gjx h PRO 102 Cb 0.59 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3gjx h PRO 102 CO -0.83 0.25 0.04 -0.91 -0.21 0.00 0.00 178.00 176.34 3gjx h ASN 103 N 0.39 0.32 -0.84 -2.05 2.35 -0.91 0.83 115.58 115.67 3gjx h ASN 103 Ca 0.25 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3gjx h ASN 103 Cb 0.48 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3gjx h ASN 103 CO -0.06 0.49 0.38 -0.50 -1.65 0.00 0.00 177.43 176.08 3gjx h TRP 104 N 0.14 1.23 -0.52 1.19 4.06 -0.60 -1.90 115.95 119.56 3gjx h TRP 104 Ca 0.06 -0.07 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 3gjx h TRP 104 Cb 0.30 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 3gjx h TRP 104 CO 0.02 0.90 0.06 1.25 -3.56 0.00 0.00 178.44 177.10 3gjx h HIS 105 N 1.20 0.94 0.47 0.49 2.76 -0.34 -2.41 115.15 118.26 3gjx h HIS 105 Ca 0.28 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3gjx h HIS 105 Cb 0.15 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3gjx h HIS 105 CO 0.02 0.86 -0.49 -0.09 -1.30 0.00 0.00 177.93 176.93 3gjx h ARG 106 N 0.75 -0.93 -0.56 5.26 2.43 -0.53 -2.06 114.38 118.75 3gjx h ARG 106 Ca 0.15 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.49 3gjx h ARG 106 Cb 0.44 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 3gjx h ARG 106 CO 0.02 -0.62 0.08 -0.44 -1.51 0.00 0.00 179.97 177.50 3gjx h ASP 107 N -0.96 -0.07 -0.36 -3.80 3.32 -1.35 -1.97 116.42 111.22 3gjx h ASP 107 Ca -0.05 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3gjx h ASP 107 Cb 0.85 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3gjx h ASP 107 CO -0.08 -0.02 0.14 0.25 -1.72 0.00 0.00 179.24 177.82 3gjx h LEU 108 N 0.21 0.50 0.00 1.55 5.85 -1.28 -3.12 115.31 119.02 3gjx h LEU 108 Ca 0.29 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 3gjx h LEU 108 Cb 0.43 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3gjx h LEU 108 CO -0.40 0.53 -0.95 -0.37 -0.34 0.00 0.00 178.44 176.91 3gjx h VAL 109 N 0.43 1.43 0.00 1.05 -1.51 -1.16 0.67 116.25 117.17 3gjx h VAL 109 Ca 0.12 -3.07 0.00 0.00 -1.23 0.00 0.00 66.70 62.52 3gjx h VAL 109 Cb 0.19 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3gjx h VAL 109 CO -0.01 0.82 0.00 0.03 -1.23 0.00 0.00 177.57 177.18 3gjx h ARG 110 N 0.00 0.00 0.00 5.19 3.08 -1.37 -2.16 114.38 119.13 3gjx h ARG 110 Ca -0.03 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.68 3gjx h ARG 110 Cb 1.70 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.69 3gjx h ARG 110 CO 0.11 0.00 -2.26 0.28 -1.07 0.00 0.00 179.97 177.03 3gjx n VAL 111 N -3.01 1.26 -3.92 2.04 0.31 -0.96 -4.90 118.33 109.16 3gjx n VAL 111 Ca -0.03 -0.55 -0.34 0.00 -0.01 0.00 0.00 64.34 63.41 3gjx n VAL 111 Cb 0.07 -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 4.46 0.00 -3.92 0.00 4.07 -1.21 -4.13 120.64 119.91 3gjx n GLU 113 Ca -0.04 0.46 -0.30 0.00 -0.06 0.00 0.00 57.16 57.22 3gjx n GLU 113 Cb 0.42 -1.41 -0.15 0.00 -0.06 0.00 0.00 31.44 30.25 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 -2.10 4.43 0.08 4.31 3.84 -1.26 -4.98 114.94 119.26 3gjx s ASN 114 Ca 0.00 -2.22 0.03 0.00 0.21 0.00 0.00 52.86 50.88 3gjx s ASN 114 Cb 0.00 -1.41 -0.03 0.00 -0.55 0.00 0.00 41.25 39.26 3gjx s ASN 114 CO 0.00 -0.35 -0.10 0.27 -2.79 0.00 0.00 177.10 174.13 3gjx s ILE 115 N 0.82 0.86 0.15 -5.21 -4.36 -1.26 -5.05 121.20 107.16 3gjx s ILE 115 Ca 0.12 -1.52 -0.31 0.00 -0.26 0.00 0.00 60.65 58.68 3gjx s ILE 115 Cb -0.20 -1.21 -0.08 0.00 1.25 0.00 0.00 42.46 42.21 3gjx s ILE 115 CO -0.10 -0.51 1.39 -2.84 0.24 0.00 0.00 174.94 173.12 3gjx s PRO 116 N -2.53 4.32 -0.08 0.37 0.02 -1.26 -4.90 135.00 130.95 3gjx s PRO 116 Ca 0.02 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.17 3gjx s PRO 116 Cb -0.04 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.28 3gjx s PRO 116 CO -0.00 -0.41 -0.08 0.42 -0.33 0.00 0.00 177.00 176.61 3gjx s ILE 117 N 0.77 0.90 -0.07 2.83 1.01 -1.26 -1.54 121.20 123.83 3gjx s ILE 117 Ca 0.63 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 3gjx s ILE 117 Cb -0.38 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3gjx s ILE 117 CO 0.33 0.32 0.10 -0.69 0.00 0.00 0.00 174.94 175.01 3gjx s VAL 118 N 1.18 5.06 -0.16 2.92 1.01 -0.04 -2.64 120.40 127.73 3gjx s VAL 118 Ca -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3gjx s VAL 118 Cb -0.14 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3gjx s VAL 118 CO -0.02 0.52 0.02 -0.22 0.00 0.00 0.00 175.10 175.40 3gjx s LEU 119 N -1.28 3.59 -0.10 3.92 2.96 0.23 -0.18 118.68 127.82 3gjx s LEU 119 Ca 0.18 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3gjx s LEU 119 Cb -0.12 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.71 3gjx s LEU 119 CO 0.08 0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 175.20 3gjx s GLY 121 N 1.24 1.72 0.37 0.00 0.00 -0.71 -1.24 107.32 108.70 3gjx s GLY 121 Ca -0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 3gjx s GLY 121 CO -0.03 1.54 0.61 0.21 0.00 0.00 0.00 173.10 175.42 3gjx s ASN 122 N 1.95 6.33 -0.07 1.64 2.47 0.16 -0.76 114.94 126.65 3gjx s ASN 122 Ca 0.24 0.64 -0.00 0.00 0.42 0.00 0.00 52.86 54.15 3gjx s ASN 122 Cb -0.14 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 3gjx s ASN 122 CO 0.18 -0.34 0.02 0.29 -3.72 0.00 0.00 177.10 173.53 3gjx n LYS 123 N -1.69 -0.19 0.00 0.43 5.02 -0.53 -1.91 118.16 119.29 3gjx n LYS 123 Ca -0.03 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 3gjx n LYS 123 Cb 0.55 -3.20 0.63 0.00 -0.02 0.00 0.00 35.03 32.99 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 -3.42 0.20 0.19 -0.18 0.24 -1.20 -2.35 118.33 111.81 3gjx n VAL 124 Ca -0.01 0.05 0.07 0.00 -2.04 0.00 0.00 64.34 62.42 3gjx n VAL 124 Cb 0.51 -0.64 0.19 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.92 -1.34 2.03 -1.91 -3.44 116.42 108.84 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 0.28 0.87 -0.63 -1.03 0.00 0.00 179.24 178.73 3gjx s ILE 126 N -3.22 4.14 0.58 4.15 1.01 -0.99 -4.89 121.20 121.99 3gjx s ILE 126 Ca 0.04 1.42 0.31 0.00 0.00 0.00 0.00 60.65 62.42 3gjx s ILE 126 Cb 0.08 -3.92 0.36 0.00 0.01 0.00 0.00 42.46 38.99 3gjx s ILE 126 CO 0.69 -0.08 2.25 0.11 0.00 0.00 0.00 174.94 177.91 3gjx h LYS 127 N 8.12 0.00 -3.03 2.79 6.56 -1.90 -3.29 116.57 125.81 3gjx h LYS 127 Ca -0.31 0.00 -0.77 0.00 -1.06 0.00 0.00 60.65 58.51 3gjx h LYS 127 Cb 1.13 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.60 3gjx h LYS 127 CO 0.94 0.01 1.67 -3.47 -2.06 0.00 0.00 179.45 176.54 3gjx n ASP 128 N -3.77 6.27 -4.67 0.86 2.03 -1.26 -4.99 116.55 111.02 3gjx n ASP 128 Ca -0.03 -3.26 -0.42 0.00 0.52 0.00 0.00 54.79 51.60 3gjx n ASP 128 Cb 0.09 -1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 39.10 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 -1.27 4.23 -0.21 -0.67 3.52 -1.24 -4.78 118.95 118.51 3gjx s ARG 129 Ca 0.40 2.00 0.10 0.00 -0.13 0.00 0.00 55.73 58.10 3gjx s ARG 129 Cb 0.11 -3.78 -0.20 0.00 -1.56 0.00 0.00 34.95 29.52 3gjx s ARG 129 CO -0.00 -0.72 -0.07 1.63 -0.81 0.00 0.00 175.30 175.34 3gjx n LYS 130 N 6.34 0.76 -3.04 5.12 4.76 -0.68 -4.69 118.16 126.72 3gjx n LYS 130 Ca 0.15 0.06 -0.45 0.00 -2.87 0.00 0.00 58.31 55.20 3gjx n LYS 130 Cb 0.43 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.47 4.89 0.36 -0.18 1.01 0.50 -4.88 120.40 119.63 3gjx s VAL 131 Ca -0.20 -1.51 -0.28 0.00 0.00 0.00 0.00 61.98 59.98 3gjx s VAL 131 Cb 0.07 -4.64 -0.11 0.00 0.00 0.00 0.00 36.38 31.70 3gjx s VAL 131 CO 0.68 -1.32 1.45 -0.54 0.00 0.00 0.00 175.10 175.37 3gjx s LYS 132 N 2.30 4.17 0.53 2.72 -0.14 -1.26 -4.88 119.74 123.18 3gjx s LYS 132 Ca 0.24 2.49 0.35 0.00 -1.36 0.00 0.00 55.97 57.68 3gjx s LYS 132 Cb -0.11 -2.99 1.52 0.00 -1.68 0.00 0.00 37.83 34.56 3gjx s LYS 132 CO -0.04 -0.45 1.82 0.00 -0.76 0.00 0.00 175.35 175.92 3gjx h ALA 133 N 3.15 3.03 0.00 5.17 0.00 -1.96 0.86 119.26 129.50 3gjx h ALA 133 Ca -0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3gjx h ALA 133 Cb 1.24 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gjx h ALA 133 CO 0.65 -1.35 -0.15 1.57 0.00 0.00 0.00 179.25 179.97 3gjx h LYS 134 N 0.02 0.00 0.00 0.00 -0.00 -2.02 -2.77 116.57 111.79 3gjx h LYS 134 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.19 3gjx h LYS 134 Cb 2.12 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.35 3gjx h LYS 134 CO -0.02 0.15 -0.51 0.43 -0.00 0.00 0.00 179.45 179.49 3gjx n SER 135 N -3.87 0.51 -4.49 7.07 7.64 0.30 -4.73 113.62 116.04 3gjx n SER 135 Ca -0.02 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 3gjx n SER 135 Cb 0.24 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 4.14 0.00 0.44 1.01 -1.05 -4.64 121.20 118.07 3gjx s ILE 136 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3gjx s ILE 136 Cb 0.17 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.83 3gjx s ILE 136 CO 0.70 -1.64 0.00 1.33 0.00 0.00 0.00 174.94 175.33 3gjx n VAL 137 N 6.11 0.00 -0.35 2.92 0.24 -1.26 -4.88 118.33 121.11 3gjx n VAL 137 Ca 0.05 -0.02 0.27 0.00 -2.04 0.00 0.00 64.34 62.60 3gjx n VAL 137 Cb 0.47 0.72 0.55 0.00 -1.47 0.00 0.00 33.84 34.11 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 0.61 0.00 6.34 3.57 -2.00 -0.34 116.94 125.11 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 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 3gjx h PHE 138 CO 0.00 -0.01 -0.06 1.12 -2.23 0.00 0.00 178.31 177.13 3gjx h HIS 139 N 0.30 0.00 -0.22 0.41 2.07 -1.90 -3.29 115.15 112.52 3gjx h HIS 139 Ca 0.65 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 58.23 3gjx h HIS 139 Cb 1.79 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.71 3gjx h HIS 139 CO -0.00 0.06 -0.17 0.00 -3.07 0.00 0.00 177.93 174.75 3gjx h ARG 140 N 0.00 -0.16 0.00 5.12 -0.00 -1.32 -1.29 114.38 116.72 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 0.40 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.41 3gjx h ARG 140 CO 0.01 -0.10 -0.69 1.57 0.00 0.00 0.00 179.97 180.76 3gjx h LYS 141 N -0.16 0.00 -0.08 0.04 2.10 -1.77 -3.04 116.57 113.65 3gjx h LYS 141 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3gjx h LYS 141 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3gjx h LYS 141 CO -0.32 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.76 3gjx n LYS 142 N -2.26 1.91 -3.80 0.07 4.76 -1.16 -4.95 118.16 112.73 3gjx n LYS 142 Ca 0.03 -1.33 -0.25 0.00 -2.87 0.00 0.00 58.31 53.88 3gjx n LYS 142 Cb 0.46 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 32.22 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 0.60 -2.54 -4.86 4.39 3.02 -0.91 -5.00 115.26 109.97 3gjx n ASN 143 Ca 0.17 -0.82 -0.22 0.00 -0.03 0.00 0.00 54.58 53.69 3gjx n ASN 143 Cb 0.43 -3.93 -0.04 0.00 -0.61 0.00 0.00 39.78 35.64 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 -6.93 3.92 0.06 3.41 1.43 -0.54 -4.90 118.68 115.13 3gjx s LEU 144 Ca 0.26 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 3gjx s LEU 144 Cb -0.13 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 3gjx s LEU 144 CO 0.82 -0.06 0.38 -1.58 0.23 0.00 0.00 176.35 176.14 3gjx s GLN 145 N -3.88 3.75 0.01 1.70 2.00 -1.08 -4.68 119.66 117.47 3gjx s GLN 145 Ca 0.34 0.16 0.08 0.00 -2.00 0.00 0.00 55.36 53.93 3gjx s GLN 145 Cb -0.08 -3.03 -0.02 0.00 0.80 0.00 0.00 33.01 30.68 3gjx s GLN 145 CO 0.26 0.58 -0.23 -0.47 -0.50 0.00 0.00 175.29 174.93 3gjx s TYR 146 N -1.36 2.05 -0.05 1.67 5.04 -1.26 0.78 117.35 124.23 3gjx s TYR 146 Ca 0.31 -0.39 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 3gjx s TYR 146 Cb -0.14 -1.28 0.02 0.00 0.35 0.00 0.00 41.96 40.91 3gjx s TYR 146 CO 0.17 0.03 0.12 0.71 -1.34 0.00 0.00 175.55 175.24 3gjx s TYR 147 N -0.66 -0.13 0.03 4.97 2.02 -0.46 -4.96 117.35 118.17 3gjx s TYR 147 Ca 0.09 0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.82 3gjx s TYR 147 Cb -0.09 -0.00 -0.06 0.00 -0.40 0.00 0.00 41.96 41.41 3gjx s TYR 147 CO 0.00 -0.09 1.29 -0.51 -1.57 0.00 0.00 175.55 174.67 3gjx s ASP 148 N 0.39 6.97 0.11 2.29 1.11 -1.26 -1.73 116.67 124.55 3gjx s ASP 148 Ca -0.03 2.06 0.03 0.00 0.18 0.00 0.00 52.55 54.80 3gjx s ASP 148 Cb -0.04 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 3gjx s ASP 148 CO -0.02 -0.59 -0.09 0.27 1.18 0.00 0.00 175.17 175.93 3gjx s ILE 149 N 1.62 0.93 -0.05 0.77 -4.36 0.06 -4.51 121.20 115.66 3gjx s ILE 149 Ca 0.61 -1.88 -0.00 0.00 -0.26 0.00 0.00 60.65 59.11 3gjx s ILE 149 Cb -0.30 -1.63 0.03 0.00 1.25 0.00 0.00 42.46 41.80 3gjx s ILE 149 CO 0.27 -0.73 0.00 -0.55 0.24 0.00 0.00 174.94 174.18 3gjx s SER 150 N -2.89 0.98 0.27 4.36 0.15 -0.66 -1.45 113.70 114.47 3gjx s SER 150 Ca 0.11 -0.04 0.13 0.00 0.70 0.00 0.00 55.95 56.85 3gjx s SER 150 Cb 0.02 -0.31 0.29 0.00 -1.71 0.00 0.00 66.02 64.30 3gjx s SER 150 CO -0.01 -0.15 1.55 0.00 1.20 0.00 0.00 173.24 175.83 3gjx h ALA 151 N 7.77 0.79 0.30 5.45 0.00 -1.94 -1.18 119.26 130.45 3gjx h ALA 151 Ca -0.30 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 3gjx h ALA 151 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gjx h ALA 151 CO 0.36 0.75 -0.15 -0.22 0.00 0.00 0.00 179.25 179.99 3gjx h LYS 152 N 0.00 -0.39 -0.14 0.00 3.64 -1.95 -3.31 116.57 114.41 3gjx h LYS 152 Ca -0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3gjx h LYS 152 Cb 1.23 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3gjx h LYS 152 CO 0.08 -0.11 0.00 -1.13 -2.27 0.00 0.00 179.45 176.01 3gjx n SER 153 N -5.05 1.73 -1.45 4.20 3.41 -1.25 -4.93 113.62 110.27 3gjx n SER 153 Ca -0.07 -1.68 -0.17 0.00 -0.26 0.00 0.00 58.87 56.69 3gjx n SER 153 Cb 0.24 -0.09 -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 0.36 -4.99 -4.68 4.04 5.03 -0.47 -4.95 115.26 109.60 3gjx n ASN 154 Ca 0.17 0.30 -0.42 0.00 0.87 0.00 0.00 54.58 55.49 3gjx n ASN 154 Cb 0.35 -3.99 -0.03 0.00 -1.02 0.00 0.00 39.78 35.09 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 -2.68 2.93 -1.33 3.10 5.04 -1.05 -3.22 117.35 120.14 3gjx s TYR 155 Ca 0.00 0.99 -0.05 0.00 -2.44 0.00 0.00 57.07 55.57 3gjx s TYR 155 Cb 0.00 -3.54 0.03 0.00 0.35 0.00 0.00 41.96 38.80 3gjx s TYR 155 CO 0.00 -1.89 0.34 0.09 -1.34 0.00 0.00 175.55 172.75 3gjx n ASN 156 N 5.73 -4.56 -0.35 4.32 5.03 -1.26 -1.65 115.26 122.52 3gjx n ASN 156 Ca 0.13 -0.17 0.06 0.00 0.87 0.00 0.00 54.58 55.47 3gjx n ASN 156 Cb 0.45 -3.77 0.22 0.00 -1.02 0.00 0.00 39.78 35.66 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 -0.73 1.08 0.00 3.10 -0.00 -1.84 -2.81 116.94 115.75 3gjx h PHE 157 Ca -0.42 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.58 3gjx h PHE 157 Cb 1.29 -0.34 0.00 0.00 -0.00 0.00 0.00 35.95 36.90 3gjx h PHE 157 CO 0.63 0.43 -1.05 0.39 -0.00 0.00 0.00 178.31 178.71 3gjx n GLU 158 N -4.65 0.04 -0.17 1.11 1.02 -1.26 -4.62 120.64 112.11 3gjx n GLU 158 Ca 0.18 -0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 3gjx n GLU 158 Cb 0.34 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.06 -0.69 3.49 1.79 -1.89 0.84 116.57 120.04 3gjx h LYS 159 Ca 0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 3gjx h LYS 159 Cb 0.53 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.10 3gjx h LYS 159 CO 0.00 -0.04 0.24 -1.35 -1.08 0.00 0.00 179.45 177.22 3gjx h PRO 160 N -0.06 0.37 -0.02 3.15 0.11 -1.82 -1.57 132.00 132.16 3gjx h PRO 160 Ca 0.25 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3gjx h PRO 160 Cb 0.45 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3gjx h PRO 160 CO -0.58 0.24 -0.05 0.74 -0.21 0.00 0.00 178.00 178.14 3gjx h PHE 161 N 0.38 0.08 -0.22 0.65 0.04 -1.25 -1.78 116.94 114.84 3gjx h PHE 161 Ca 0.37 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.17 3gjx h PHE 161 Cb 0.56 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.62 3gjx h PHE 161 CO -0.19 0.66 -0.25 1.25 -0.60 0.00 0.00 178.31 179.17 3gjx h LEU 162 N -0.51 -0.80 -0.12 1.54 5.85 -0.81 0.30 115.31 120.75 3gjx h LEU 162 Ca -0.00 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3gjx h LEU 162 Cb 0.65 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3gjx h LEU 162 CO 0.01 -0.29 -0.21 -0.25 -0.34 0.00 0.00 178.44 177.36 3gjx h TRP 163 N -0.27 -0.57 -0.92 1.25 7.01 -1.33 0.77 115.95 121.89 3gjx h TRP 163 Ca 0.13 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.23 3gjx h TRP 163 Cb 0.47 0.27 -0.07 0.00 -2.10 0.00 0.00 29.16 27.73 3gjx h TRP 163 CO -0.39 -0.30 0.57 -0.07 -2.79 0.00 0.00 178.44 175.47 3gjx h LEU 164 N -0.28 0.89 -0.68 0.65 3.38 -0.84 -1.23 115.31 117.20 3gjx h LEU 164 Ca 0.10 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3gjx h LEU 164 Cb 0.42 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3gjx h LEU 164 CO -0.28 0.54 0.14 0.00 0.09 0.00 0.00 178.44 178.93 3gjx h ALA 165 N 1.45 0.90 0.00 1.53 0.00 0.17 0.44 119.26 123.75 3gjx h ALA 165 Ca 0.42 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3gjx h ALA 165 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gjx h ALA 165 CO -0.20 0.64 -0.36 0.00 0.00 0.00 0.00 179.25 179.33 3gjx h ARG 166 N 1.03 0.00 0.16 0.00 3.08 -0.18 -2.46 114.38 116.01 3gjx h ARG 166 Ca 0.21 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.93 3gjx h ARG 166 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gjx h ARG 166 CO 0.01 0.36 -1.66 0.87 -1.07 0.00 0.00 179.97 178.47 3gjx h LYS 167 N 0.00 0.35 -0.17 0.04 1.79 -0.90 -3.09 116.57 114.59 3gjx h LYS 167 Ca -0.00 -0.59 -0.08 0.00 -2.18 0.00 0.00 60.65 57.80 3gjx h LYS 167 Cb 0.66 0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3gjx h LYS 167 CO 0.05 1.24 -0.19 -0.07 -1.08 0.00 0.00 179.45 179.40 3gjx h LEU 168 N 0.09 0.47 0.00 2.94 3.38 -0.89 -3.41 115.31 117.89 3gjx h LEU 168 Ca -0.30 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3gjx h LEU 168 Cb 2.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.69 3gjx h LEU 168 CO 0.18 0.86 0.00 -0.38 0.09 0.00 0.00 178.44 179.18 3gjx n ILE 169 N -4.48 0.00 -2.74 1.22 2.08 -0.93 -5.02 119.36 109.49 3gjx n ILE 169 Ca -0.06 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.25 3gjx n ILE 169 Cb 0.39 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 39.34 3gjx n ILE 169 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gjx n GLY 170 N 2.71 1.69 2.83 7.39 0.00 -1.25 -4.96 105.19 113.59 3gjx n GLY 170 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.04 4.25 0.56 1.61 -1.08 -1.17 -4.95 116.67 112.85 3gjx s ASP 171 Ca 0.24 -1.92 0.30 0.00 -0.52 0.00 0.00 52.55 50.64 3gjx s ASP 171 Cb 0.34 -1.15 1.68 0.00 -1.46 0.00 0.00 42.92 42.33 3gjx s ASP 171 CO -0.07 -0.39 2.17 -0.65 0.52 0.00 0.00 175.17 176.75 3gjx h PRO 172 N 7.78 0.00 -0.00 4.34 0.11 -1.98 -2.35 132.00 139.90 3gjx h PRO 172 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3gjx h PRO 172 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gjx h PRO 172 CO 0.49 0.06 -0.45 0.09 -0.21 0.00 0.00 178.00 177.99 3gjx n ASN 173 N -3.66 0.67 -4.64 -2.05 3.02 -1.26 -4.93 115.26 102.42 3gjx n ASN 173 Ca -0.02 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 3gjx n ASN 173 Cb 0.16 0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.25 2.79 -3.80 3.41 7.94 -0.89 -5.01 117.00 120.19 3gjx n LEU 174 Ca 0.07 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.99 3gjx n LEU 174 Cb 0.34 -1.39 -0.11 0.00 0.53 0.00 0.00 43.42 42.79 3gjx n LEU 174 CO 0.33 -1.06 -0.09 -0.70 -1.11 0.00 0.00 177.39 174.76 3gjx s GLU 175 N -1.85 0.39 0.08 1.96 2.56 -1.26 -4.95 118.70 115.63 3gjx s GLU 175 Ca 0.59 0.11 -0.30 0.00 0.00 0.00 0.00 54.97 55.37 3gjx s GLU 175 Cb -0.60 0.18 -0.05 0.00 2.00 0.00 0.00 34.13 35.66 3gjx s GLU 175 CO 0.60 -0.08 1.07 -0.06 -0.56 0.00 0.00 175.26 176.24 3gjx s PHE 176 N -0.41 3.60 -0.00 5.30 0.08 -1.26 -1.42 117.98 123.87 3gjx s PHE 176 Ca -0.05 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.57 3gjx s PHE 176 Cb -0.03 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.16 3gjx s PHE 176 CO 0.01 -0.52 0.02 1.33 -0.10 0.00 0.00 175.22 175.96 3gjx n VAL 177 N 3.39 0.02 -0.41 -0.44 0.24 0.12 -4.92 118.33 116.33 3gjx n VAL 177 Ca 0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3gjx n VAL 177 Cb 0.48 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 3gjx n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gjx n ALA 178 N -1.68 0.00 0.00 2.33 0.00 -1.12 -5.04 120.51 115.00 3gjx n ALA 178 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gjx n ALA 178 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3gjx n ALA 178 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38