#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx9 n LEU 2 N 0.00 0.00 -0.19 0.99 7.94 -1.26 -1.74 117.00 122.74 3jx9 n LEU 2 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3jx9 n LEU 2 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 3jx9 n LEU 2 CO 0.00 0.00 0.79 0.50 -1.11 0.00 0.00 177.39 177.57 3jx9 h LYS 3 N 0.00 1.03 -0.01 1.96 3.64 -2.04 0.14 116.57 121.29 3jx9 h LYS 3 Ca 0.00 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3jx9 h LYS 3 Cb 0.00 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3jx9 h LYS 3 CO 0.00 1.04 -0.00 0.82 -2.27 0.00 0.00 179.45 179.04 3jx9 h ILE 4 N 0.93 1.27 -0.60 2.00 2.04 -1.77 0.00 117.51 121.38 3jx9 h ILE 4 Ca 0.15 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3jx9 h ILE 4 Cb 0.62 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 3jx9 h ILE 4 CO 0.04 0.21 0.32 0.25 0.00 0.00 0.00 178.15 178.97 3jx9 h LEU 5 N -0.32 0.47 -0.24 1.44 5.85 -1.79 0.41 115.31 121.13 3jx9 h LEU 5 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3jx9 h LEU 5 Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3jx9 h LEU 5 CO 0.00 0.31 0.06 0.00 -0.34 0.00 0.00 178.44 178.47 3jx9 h ALA 6 N 1.32 0.32 -0.16 1.25 0.00 -0.85 0.09 119.26 121.23 3jx9 h ALA 6 Ca 0.27 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3jx9 h ALA 6 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3jx9 h ALA 6 CO -0.18 -0.03 -0.50 1.79 0.00 0.00 0.00 179.25 180.33 3jx9 h THR 7 N 0.22 1.33 -0.26 0.00 1.35 -0.74 -0.36 112.91 114.45 3jx9 h THR 7 Ca 0.08 -1.74 -0.14 0.00 -0.55 0.00 0.00 66.41 64.06 3jx9 h THR 7 Cb 0.27 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3jx9 h THR 7 CO 0.00 0.53 -0.38 1.56 -0.25 0.00 0.00 175.52 176.98 3jx9 h GLN 8 N 0.34 0.72 -0.06 4.72 1.08 -0.84 -1.65 115.11 119.43 3jx9 h GLN 8 Ca 0.01 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3jx9 h GLN 8 Cb 1.00 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 3jx9 h GLN 8 CO 0.09 1.04 0.04 0.35 -0.95 0.00 0.00 178.83 179.40 3jx9 h PHE 9 N 0.45 0.07 -0.38 2.96 3.57 -0.80 -2.35 116.94 120.47 3jx9 h PHE 9 Ca 0.03 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3jx9 h PHE 9 Cb 0.97 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3jx9 h PHE 9 CO 0.08 0.07 0.25 -0.97 -2.23 0.00 0.00 178.31 175.51 3jx9 h ASN 10 N 0.06 0.32 -0.73 0.41 -1.24 -1.03 -0.99 115.58 112.37 3jx9 h ASN 10 Ca 0.02 -0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.09 3jx9 h ASN 10 Cb 0.01 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 38.93 3jx9 h ASN 10 CO -0.00 0.22 0.42 1.23 -1.29 0.00 0.00 177.43 178.01 3jx9 h GLY 11 N 0.37 1.09 1.01 1.57 0.00 -0.78 -0.35 103.07 105.99 3jx9 h GLY 11 Ca 0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3jx9 h GLY 11 CO -0.04 0.18 -0.08 1.70 0.00 0.00 0.00 176.54 178.31 3jx9 h LYS 12 N 0.77 0.85 -0.59 4.80 1.63 -0.84 -2.43 116.57 120.77 3jx9 h LYS 12 Ca 0.33 -0.31 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3jx9 h LYS 12 Cb 0.20 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 3jx9 h LYS 12 CO -0.19 0.94 0.28 -0.07 -3.45 0.00 0.00 179.45 176.96 3jx9 h LEU 13 N 0.69 0.36 -0.78 5.20 3.38 -0.80 -1.78 115.31 121.58 3jx9 h LEU 13 Ca 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3jx9 h LEU 13 Cb 0.61 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3jx9 h LEU 13 CO 0.04 0.23 0.42 1.56 0.09 0.00 0.00 178.44 180.78 3jx9 h GLN 14 N 0.51 1.09 0.00 1.13 4.20 -0.90 -2.70 115.11 118.44 3jx9 h GLN 14 Ca 0.28 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 3jx9 h GLN 14 Cb 0.25 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3jx9 h GLN 14 CO -0.23 0.81 -0.34 1.79 -0.67 0.00 0.00 178.83 180.19 3jx9 h THR 15 N 1.08 0.84 -0.24 -0.54 1.35 -0.93 -2.30 112.91 112.17 3jx9 h THR 15 Ca 0.27 -1.40 0.07 0.00 -0.55 0.00 0.00 66.41 64.80 3jx9 h THR 15 Cb 0.04 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3jx9 h THR 15 CO -0.04 0.33 0.18 -0.07 -0.25 0.00 0.00 175.52 175.67 3jx9 h LEU 16 N 0.00 0.00 -1.84 3.87 3.38 -0.99 -1.92 115.31 117.81 3jx9 h LEU 16 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3jx9 h LEU 16 Cb 0.83 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3jx9 h LEU 16 CO 0.04 0.00 0.50 0.74 0.09 0.00 0.00 178.44 179.81 3jx9 h THR 17 N 0.00 0.70 0.00 0.22 2.02 -1.43 0.12 112.91 114.54 3jx9 h THR 17 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3jx9 h THR 17 Cb 0.46 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3jx9 h THR 17 CO -0.00 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.21 3jx9 n LYS 18 N -4.39 0.09 -0.55 6.66 5.02 -0.72 -2.64 118.16 121.63 3jx9 n LYS 18 Ca 0.14 0.36 0.06 0.00 -2.02 0.00 0.00 58.31 56.85 3jx9 n LYS 18 Cb 0.68 -1.67 0.20 0.00 -0.02 0.00 0.00 35.03 34.21 3jx9 n LYS 18 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3jx9 n GLN 19 N -1.84 1.52 -0.30 1.97 6.02 0.39 -4.76 117.38 120.38 3jx9 n GLN 19 Ca 0.02 -3.19 0.09 0.00 -0.01 0.00 0.00 57.00 53.91 3jx9 n GLN 19 Cb 0.18 -1.58 0.31 0.00 1.02 0.00 0.00 30.24 30.17 3jx9 n GLN 19 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3jx9 h GLU 20 N 0.87 0.83 -0.33 -1.09 5.08 -1.44 -2.00 114.58 116.50 3jx9 h GLU 20 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3jx9 h GLU 20 Cb 1.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3jx9 h GLU 20 CO 0.00 0.55 0.12 -0.44 -1.00 0.00 0.00 179.01 178.24 3jx9 h ASP 21 N 0.86 0.46 -0.26 1.42 5.19 -1.87 0.23 116.42 122.45 3jx9 h ASP 21 Ca 0.45 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.59 3jx9 h ASP 21 Cb 0.53 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 3jx9 h ASP 21 CO -0.21 0.52 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.98 3jx9 h GLU 22 N 0.38 0.67 -0.46 3.56 3.07 -1.83 -0.54 114.58 119.42 3jx9 h GLU 22 Ca 0.11 -0.21 -0.11 0.00 -0.50 0.00 0.00 59.36 58.65 3jx9 h GLU 22 Cb 0.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3jx9 h GLU 22 CO -0.01 0.77 -0.12 -0.07 -1.40 0.00 0.00 179.01 178.18 3jx9 h LEU 23 N 0.61 0.91 -1.40 1.33 3.38 -1.17 -2.69 115.31 116.28 3jx9 h LEU 23 Ca 0.11 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3jx9 h LEU 23 Cb 0.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3jx9 h LEU 23 CO 0.04 1.07 -0.26 0.15 0.09 0.00 0.00 178.44 179.52 3jx9 h PHE 24 N 0.74 0.07 -0.75 1.13 3.57 -0.20 -1.60 116.94 119.90 3jx9 h PHE 24 Ca 0.12 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3jx9 h PHE 24 Cb 0.68 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3jx9 h PHE 24 CO 0.05 0.32 0.41 -0.44 -2.23 0.00 0.00 178.31 176.42 3jx9 h ASP 25 N 0.06 0.92 0.33 0.41 3.32 -0.89 0.20 116.42 120.77 3jx9 h ASP 25 Ca 0.01 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3jx9 h ASP 25 Cb 0.49 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3jx9 h ASP 25 CO 0.04 0.74 -0.16 0.58 -1.72 0.00 0.00 179.24 178.71 3jx9 h VAL 26 N 1.04 0.66 -0.43 -1.35 2.07 -1.00 -2.17 116.25 115.08 3jx9 h VAL 26 Ca 0.27 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 3jx9 h VAL 26 Cb 0.02 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3jx9 h VAL 26 CO -0.04 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.30 3jx9 h VAL 27 N -0.45 0.91 -0.62 2.57 2.07 -0.96 -2.15 116.25 117.62 3jx9 h VAL 27 Ca -0.04 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3jx9 h VAL 27 Cb 0.35 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3jx9 h VAL 27 CO 0.07 0.07 0.40 -0.09 0.02 0.00 0.00 177.57 178.03 3jx9 h ARG 28 N 0.36 0.78 -0.35 1.57 2.43 -0.98 0.31 114.38 118.49 3jx9 h ARG 28 Ca 0.19 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3jx9 h ARG 28 Cb 0.15 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3jx9 h ARG 28 CO -0.17 0.51 0.15 1.25 -1.51 0.00 0.00 179.97 180.20 3jx9 h LEU 29 N 0.80 0.20 -0.45 3.80 5.85 -1.02 -2.71 115.31 121.77 3jx9 h LEU 29 Ca 0.24 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 3jx9 h LEU 29 Cb -0.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3jx9 h LEU 29 CO -0.07 0.15 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.03 3jx9 h LEU 30 N 0.32 0.84 -2.25 2.25 3.38 -1.03 -2.92 115.31 115.90 3jx9 h LEU 30 Ca 0.16 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3jx9 h LEU 30 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3jx9 h LEU 30 CO -0.13 0.99 0.10 0.00 0.09 0.00 0.00 178.44 179.48 3jx9 h ALA 31 N 0.88 1.80 -0.90 1.53 0.00 -0.80 -1.95 119.26 119.82 3jx9 h ALA 31 Ca 0.12 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3jx9 h ALA 31 Cb 0.61 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3jx9 h ALA 31 CO 0.04 -0.15 0.59 1.96 0.00 0.00 0.00 179.25 181.69 3jx9 h GLN 32 N 0.00 0.98 -0.84 0.00 4.20 -1.28 -0.96 115.11 117.22 3jx9 h GLN 32 Ca 0.05 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3jx9 h GLN 32 Cb 0.24 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3jx9 h GLN 32 CO -0.00 0.65 0.55 0.00 -0.67 0.00 0.00 178.83 179.36 3jx9 h ALA 33 N 1.51 1.10 0.00 3.87 0.00 -1.50 -3.06 119.26 121.18 3jx9 h ALA 33 Ca 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3jx9 h ALA 33 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3jx9 h ALA 33 CO -0.15 0.41 -0.09 -0.07 0.00 0.00 0.00 179.25 179.35 3jx9 h LEU 34 N 1.08 0.00 -1.37 0.00 3.38 -1.27 -2.11 115.31 115.02 3jx9 h LEU 34 Ca 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 3jx9 h LEU 34 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3jx9 h LEU 34 CO -0.10 0.09 -0.30 -0.37 0.09 0.00 0.00 178.44 177.85 3jx9 h VAL 35 N 0.00 1.00 0.00 1.22 -1.51 -1.31 -3.44 116.25 112.21 3jx9 h VAL 35 Ca -0.00 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 3jx9 h VAL 35 Cb 0.95 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3jx9 h VAL 35 CO 0.01 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.26 3jx9 n GLY 36 N -0.40 1.49 0.21 5.19 0.00 -1.15 -5.02 105.19 105.52 3jx9 n GLY 36 Ca -0.02 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.47 3jx9 n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jx9 n GLN 37 N 0.00 1.32 -1.49 1.61 3.00 -1.25 -5.04 117.38 115.52 3jx9 n GLN 37 Ca 0.00 -2.71 -0.29 0.00 -0.01 0.00 0.00 57.00 53.99 3jx9 n GLN 37 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 28.88 3jx9 n GLN 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3jx9 s GLY 38 N -2.92 1.58 0.18 1.08 0.00 -0.81 -5.00 107.32 101.43 3jx9 s GLY 38 Ca 0.33 -0.49 0.11 0.00 0.00 0.00 0.00 44.72 44.66 3jx9 s GLY 38 CO 0.01 0.07 -0.23 0.54 0.00 0.00 0.00 173.10 173.48 3jx9 s LYS 39 N -5.24 1.46 -0.20 2.90 1.02 -1.26 -4.40 119.74 114.02 3jx9 s LYS 39 Ca 0.64 -1.49 -0.14 0.00 0.02 0.00 0.00 55.97 55.00 3jx9 s LYS 39 Cb -0.15 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3jx9 s LYS 39 CO 0.54 0.37 0.29 0.08 -0.92 0.00 0.00 175.35 175.71 3jx9 s VAL 40 N -1.71 5.29 -0.13 3.17 1.01 -0.01 -1.69 120.40 126.32 3jx9 s VAL 40 Ca 0.19 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3jx9 s VAL 40 Cb -0.08 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3jx9 s VAL 40 CO 0.09 0.33 -0.14 -0.31 0.00 0.00 0.00 175.10 175.07 3jx9 s TYR 41 N 0.92 2.79 -0.18 5.22 2.02 -0.03 -1.37 117.35 126.71 3jx9 s TYR 41 Ca 0.15 -0.69 -0.21 0.00 -0.37 0.00 0.00 57.07 55.94 3jx9 s TYR 41 Cb -0.14 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 3jx9 s TYR 41 CO 0.05 -0.24 0.65 -1.17 -1.57 0.00 0.00 175.55 173.27 3jx9 s LEU 42 N 0.37 4.17 -0.32 -1.29 2.96 0.43 -0.64 118.68 124.35 3jx9 s LEU 42 Ca -0.12 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 3jx9 s LEU 42 Cb -0.16 -2.93 0.09 0.00 0.50 0.00 0.00 46.19 43.69 3jx9 s LEU 42 CO 0.06 -0.26 0.02 -0.62 -1.32 0.00 0.00 176.35 174.23 3jx9 s ASP 43 N 1.13 4.64 0.04 3.68 2.15 0.63 -0.78 116.67 128.15 3jx9 s ASP 43 Ca 0.30 -1.94 0.07 0.00 0.43 0.00 0.00 52.55 51.41 3jx9 s ASP 43 Cb -0.16 -1.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.86 3jx9 s ASP 43 CO 0.11 -0.34 -0.17 0.00 -0.17 0.00 0.00 175.17 174.61 3jx9 s ALA 44 N 0.99 2.66 -0.03 3.66 0.00 -1.26 -2.53 121.76 125.25 3jx9 s ALA 44 Ca 0.06 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.89 3jx9 s ALA 44 Cb -0.19 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3jx9 s ALA 44 CO -0.08 0.58 -0.19 0.71 0.00 0.00 0.00 175.76 176.78 3jx9 s TYR 45 N -0.95 1.78 0.00 0.00 1.51 -0.29 -4.46 117.35 114.93 3jx9 s TYR 45 Ca 0.15 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3jx9 s TYR 45 Cb -0.11 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 3jx9 s TYR 45 CO 0.06 -0.11 0.00 0.41 -1.11 0.00 0.00 175.55 174.80 3jx9 n GLY 46 N 2.89 2.11 0.37 0.71 0.00 -1.26 -1.97 105.19 108.03 3jx9 n GLY 46 Ca -0.17 -0.42 0.17 0.00 0.00 0.00 0.00 46.02 45.60 3jx9 n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jx9 h GLU 47 N 0.00 0.17 0.00 1.61 4.81 -1.97 -1.88 114.58 117.32 3jx9 h GLU 47 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3jx9 h GLU 47 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3jx9 h GLU 47 CO 0.00 0.11 0.00 1.19 -0.73 0.00 0.00 179.01 179.58 3jx9 n PHE 48 N -4.43 0.00 0.32 0.92 3.72 -0.83 -1.42 117.46 115.74 3jx9 n PHE 48 Ca 0.10 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.68 3jx9 n PHE 48 Cb 0.52 -0.36 0.94 0.00 -0.94 0.00 0.00 39.48 39.64 3jx9 n PHE 48 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jx9 h GLU 49 N 0.00 0.00 0.00 -1.08 5.08 -1.48 -0.36 114.58 116.74 3jx9 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jx9 h GLU 49 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3jx9 h GLU 49 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3jx9 n GLY 50 N -1.20 -0.99 0.20 -3.84 0.00 -0.51 -2.19 105.19 96.65 3jx9 n GLY 50 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3jx9 n GLY 50 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3jx9 h LEU 51 N 0.00 0.00 -0.71 0.99 3.38 -1.29 -3.36 115.31 114.31 3jx9 h LEU 51 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3jx9 h LEU 51 Cb 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3jx9 h LEU 51 CO 0.00 0.33 0.42 1.88 0.09 0.00 0.00 178.44 181.16 3jx9 h TYR 52 N 0.00 0.78 0.00 1.13 0.05 -1.62 -3.34 116.97 113.97 3jx9 h TYR 52 Ca -0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3jx9 h TYR 52 Cb 0.89 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 3jx9 h TYR 52 CO 0.00 0.40 0.77 -2.30 -1.05 0.00 0.00 178.16 175.98 3jx9 n PRO 53 N -4.72 0.03 0.00 4.88 -0.02 -1.26 -3.23 135.00 130.68 3jx9 n PRO 53 Ca 0.09 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3jx9 n PRO 53 Cb 0.15 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3jx9 n PRO 53 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jx9 n LEU 55 N 4.01 0.00 -0.10 2.45 4.77 -1.25 -0.69 117.00 126.19 3jx9 n LEU 55 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 3jx9 n LEU 55 Cb 0.01 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3jx9 n LEU 55 CO 0.38 0.00 -1.16 -1.54 -1.33 0.00 0.00 177.39 173.74 3jx9 n SER 56 N 0.00 0.34 0.00 -1.43 3.41 -1.20 -4.70 113.62 110.04 3jx9 n SER 56 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3jx9 n SER 56 Cb 0.00 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 3jx9 n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3jx9 n ASP 57 N -2.84 0.55 -4.92 4.04 9.92 0.13 -5.08 116.55 118.35 3jx9 n ASP 57 Ca -0.34 -0.87 -0.26 0.00 -0.53 0.00 0.00 54.79 52.79 3jx9 n ASP 57 Cb 1.13 0.14 0.02 0.00 -0.64 0.00 0.00 41.12 41.77 3jx9 n ASP 57 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3jx9 s GLY 58 N -0.14 1.58 0.50 0.44 0.00 -0.95 -4.99 107.32 103.76 3jx9 s GLY 58 Ca 0.00 -0.72 0.29 0.00 0.00 0.00 0.00 44.72 44.29 3jx9 s GLY 58 CO 0.00 -0.48 1.89 -0.56 0.00 0.00 0.00 173.10 173.95 3jx9 h PRO 59 N -0.01 0.00 -0.27 2.90 0.13 -1.99 -3.15 132.00 129.61 3jx9 h PRO 59 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3jx9 h PRO 59 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 3jx9 h PRO 59 CO 0.60 0.09 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.21 3jx9 n ASP 60 N -3.22 3.49 -3.24 1.44 8.00 -1.26 -5.18 116.55 116.59 3jx9 n ASP 60 Ca 0.01 -3.19 -0.24 0.00 0.71 0.00 0.00 54.79 52.08 3jx9 n ASP 60 Cb 0.37 -0.56 0.21 0.00 -0.02 0.00 0.00 41.12 41.13 3jx9 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jx9 n GLN 61 N -0.71 -3.57 -3.83 -1.24 10.64 -1.19 -4.76 117.38 112.71 3jx9 n GLN 61 Ca 0.24 -1.24 -0.36 0.00 -1.83 0.00 0.00 57.00 53.81 3jx9 n GLN 61 Cb 0.92 -1.39 -0.06 0.00 -0.86 0.00 0.00 30.24 28.85 3jx9 n GLN 61 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3jx9 s LYS 63 N -4.76 3.50 0.00 2.61 3.01 -1.26 -5.09 119.74 117.75 3jx9 s LYS 63 Ca 0.54 -0.12 0.00 0.00 -1.01 0.00 0.00 55.97 55.38 3jx9 s LYS 63 Cb -0.08 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.59 3jx9 s LYS 63 CO 0.43 0.73 0.00 0.54 0.51 0.00 0.00 175.35 177.56 3jx9 n ARG 64 N 1.58 -0.03 -3.93 1.68 1.74 -1.26 -4.98 116.66 111.47 3jx9 n ARG 64 Ca -0.16 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 3jx9 n ARG 64 Cb 0.54 -2.73 -0.14 0.00 -1.02 0.00 0.00 32.46 29.11 3jx9 n ARG 64 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jx9 s VAL 65 N -3.40 2.95 0.12 1.55 1.01 -1.26 -0.83 120.40 120.53 3jx9 s VAL 65 Ca 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 3jx9 s VAL 65 Cb 0.00 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3jx9 s VAL 65 CO 0.00 0.02 0.19 0.28 0.00 0.00 0.00 175.10 175.59 3jx9 s THR 66 N 1.28 0.12 0.29 3.92 -1.32 -0.47 -4.95 115.64 114.51 3jx9 s THR 66 Ca -0.03 -1.40 -0.29 0.00 -1.21 0.00 0.00 61.69 58.76 3jx9 s THR 66 Cb -0.18 -1.63 -0.10 0.00 -1.51 0.00 0.00 72.50 69.08 3jx9 s THR 66 CO -0.02 -0.53 1.43 -0.75 -2.21 0.00 0.00 174.62 172.53 3jx9 s LYS 67 N -3.93 4.26 0.33 7.08 2.20 -1.26 -0.43 119.74 127.98 3jx9 s LYS 67 Ca 0.12 2.34 -0.28 0.00 -0.36 0.00 0.00 55.97 57.79 3jx9 s LYS 67 Cb 0.05 -3.07 -0.13 0.00 -1.51 0.00 0.00 37.83 33.17 3jx9 s LYS 67 CO -0.05 -0.39 1.22 1.51 -0.36 0.00 0.00 175.35 177.27 3jx9 n ILE 68 N 1.69 1.99 -4.05 5.43 0.13 0.03 -4.75 119.36 119.84 3jx9 n ILE 68 Ca 0.04 -0.50 -0.35 0.00 -1.10 0.00 0.00 62.75 60.85 3jx9 n ILE 68 Cb 0.40 -1.42 -0.14 0.00 -0.84 0.00 0.00 39.64 37.64 3jx9 n ILE 68 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 3jx9 s LYS 69 N -1.78 3.41 0.24 9.51 -2.85 -1.26 -5.02 119.74 121.98 3jx9 s LYS 69 Ca 0.56 -0.62 -0.31 0.00 -1.00 0.00 0.00 55.97 54.60 3jx9 s LYS 69 Cb -0.60 -2.96 -0.14 0.00 -2.06 0.00 0.00 37.83 32.07 3jx9 s LYS 69 CO 0.62 -0.11 1.36 -0.25 0.10 0.00 0.00 175.35 177.06 3jx9 n ASP 70 N 4.53 2.55 -0.23 0.03 8.00 -1.26 -2.38 116.55 127.80 3jx9 n ASP 70 Ca -0.18 1.15 -0.03 0.00 0.71 0.00 0.00 54.79 56.44 3jx9 n ASP 70 Cb 0.51 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 3jx9 n ASP 70 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3jx9 n HIS 71 N 1.68 0.00 -3.36 1.24 8.25 -1.26 -5.00 115.22 116.76 3jx9 n HIS 71 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.19 3jx9 n HIS 71 Cb 0.31 -1.33 -0.08 0.00 1.12 0.00 0.00 29.99 30.01 3jx9 n HIS 71 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3jx9 s LYS 72 N -1.56 4.12 -0.05 -0.41 2.20 -1.00 -5.05 119.74 117.99 3jx9 s LYS 72 Ca 0.00 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 3jx9 s LYS 72 Cb 0.00 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3jx9 s LYS 72 CO 0.00 -0.15 1.36 0.99 -0.36 0.00 0.00 175.35 177.19 3jx9 s THR 73 N 1.67 3.94 0.55 3.43 2.01 -1.26 -4.96 115.64 121.01 3jx9 s THR 73 Ca 0.18 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.48 3jx9 s THR 73 Cb -0.15 -3.81 0.06 0.00 0.01 0.00 0.00 72.50 68.61 3jx9 s THR 73 CO 0.09 -0.04 0.76 -0.76 -0.69 0.00 0.00 174.62 173.98 3jx9 s LEU 74 N 2.77 3.30 0.28 4.42 1.43 -1.26 -5.13 118.68 124.49 3jx9 s LEU 74 Ca 0.61 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3jx9 s LEU 74 Cb -0.28 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3jx9 s LEU 74 CO 0.23 -1.21 0.11 -1.00 0.23 0.00 0.00 176.35 174.72 3jx9 s HIS 75 N -2.69 1.59 0.49 0.29 3.76 -1.26 -4.85 115.29 112.61 3jx9 s HIS 75 Ca 0.59 -1.21 0.35 0.00 -0.15 0.00 0.00 55.06 54.65 3jx9 s HIS 75 Cb -0.08 -0.93 1.88 0.00 1.11 0.00 0.00 32.58 34.55 3jx9 s HIS 75 CO 0.38 -0.35 2.21 0.00 -0.85 0.00 0.00 174.74 176.13 3jx9 h ALA 76 N 2.31 1.17 0.00 -1.40 0.00 -1.72 -1.88 119.26 117.74 3jx9 h ALA 76 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3jx9 h ALA 76 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3jx9 h ALA 76 CO 0.60 0.04 -0.22 1.33 0.00 0.00 0.00 179.25 181.00 3jx9 n VAL 77 N -3.38 0.01 -2.74 0.00 0.24 -1.26 -4.70 118.33 106.50 3jx9 n VAL 77 Ca -0.02 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.34 62.01 3jx9 n VAL 77 Cb 0.16 -0.18 0.01 0.00 -1.47 0.00 0.00 33.84 32.36 3jx9 n VAL 77 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3jx9 s ASP 78 N -3.04 5.99 0.00 -1.34 1.01 -0.71 -4.17 116.67 114.42 3jx9 s ASP 78 Ca 0.13 0.67 0.01 0.00 0.71 0.00 0.00 52.55 54.07 3jx9 s ASP 78 Cb 0.18 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 3jx9 s ASP 78 CO 0.60 -0.70 -0.05 -0.13 0.21 0.00 0.00 175.17 175.10 3jx9 s ARG 79 N -4.72 0.36 -0.11 8.23 1.81 -0.68 -4.11 118.95 119.72 3jx9 s ARG 79 Ca 0.48 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 54.27 3jx9 s ARG 79 Cb -0.10 -0.32 -0.02 0.00 -0.45 0.00 0.00 34.95 34.06 3jx9 s ARG 79 CO 0.42 0.08 -0.11 0.08 -0.68 0.00 0.00 175.30 175.09 3jx9 s VAL 80 N -0.26 3.23 -0.24 3.52 1.01 -0.64 -0.85 120.40 126.17 3jx9 s VAL 80 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3jx9 s VAL 80 Cb -0.03 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3jx9 s VAL 80 CO -0.00 0.54 0.03 -0.22 0.00 0.00 0.00 175.10 175.45 3jx9 s LEU 81 N 0.03 3.26 -0.11 3.92 2.96 0.19 -0.96 118.68 127.97 3jx9 s LEU 81 Ca -0.03 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3jx9 s LEU 81 Cb -0.14 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3jx9 s LEU 81 CO 0.04 -0.04 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.30 3jx9 s ILE 82 N 1.55 3.46 -0.14 6.68 1.01 0.22 -0.27 121.20 133.70 3jx9 s ILE 82 Ca 0.06 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3jx9 s ILE 82 Cb -0.15 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.88 3jx9 s ILE 82 CO 0.01 0.54 -0.22 -0.36 0.00 0.00 0.00 174.94 174.92 3jx9 s PHE 83 N -0.08 2.68 -0.01 3.97 0.40 -1.05 -0.54 117.98 123.34 3jx9 s PHE 83 Ca -0.00 -1.34 -0.02 0.00 -0.60 0.00 0.00 56.93 54.96 3jx9 s PHE 83 Cb -0.13 -1.82 -0.00 0.00 0.51 0.00 0.00 43.02 41.57 3jx9 s PHE 83 CO 0.03 -0.61 0.05 -0.08 0.70 0.00 0.00 175.22 175.31 3jx9 s THR 84 N 0.83 0.05 0.39 0.64 -1.32 -0.37 -1.14 115.64 114.72 3jx9 s THR 84 Ca -0.07 -0.37 0.14 0.00 -1.21 0.00 0.00 61.69 60.18 3jx9 s THR 84 Cb -0.15 -0.19 0.13 0.00 -1.51 0.00 0.00 72.50 70.77 3jx9 s THR 84 CO -0.02 -0.21 1.89 1.55 -2.21 0.00 0.00 174.62 175.62 3jx9 h PRO 85 N 5.36 0.00 -2.86 7.08 0.13 -1.87 -0.82 132.00 139.01 3jx9 h PRO 85 Ca -0.28 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 3jx9 h PRO 85 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 3jx9 h PRO 85 CO 0.44 0.30 0.27 0.16 -0.23 0.00 0.00 178.00 178.95 3jx9 s ASP 86 N -6.93 -0.41 -0.12 1.44 1.47 -1.26 -3.24 116.67 107.62 3jx9 s ASP 86 Ca -0.03 -0.24 0.17 0.00 1.18 0.00 0.00 52.55 53.63 3jx9 s ASP 86 Cb 0.15 0.61 0.69 0.00 -0.34 0.00 0.00 42.92 44.03 3jx9 s ASP 86 CO 0.71 -1.05 1.61 0.35 0.68 0.00 0.00 175.17 177.46 3jx9 n THR 87 N -0.40 1.93 1.00 2.11 -2.24 -1.26 -4.35 114.28 111.07 3jx9 n THR 87 Ca -0.11 -1.27 0.12 0.00 -2.27 0.00 0.00 64.05 60.52 3jx9 n THR 87 Cb 0.62 0.08 0.20 0.00 -2.10 0.00 0.00 70.33 69.12 3jx9 n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jx9 n GLU 88 N 0.89 0.02 -1.88 -0.78 1.02 -1.26 -4.88 120.64 113.77 3jx9 n GLU 88 Ca 0.25 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 3jx9 n GLU 88 Cb 0.90 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 3jx9 n GLU 88 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3jx9 s ARG 89 N -2.99 4.19 0.27 3.49 0.52 -1.26 -4.91 118.95 118.26 3jx9 s ARG 89 Ca 0.11 2.44 -0.04 0.00 -0.52 0.00 0.00 55.73 57.72 3jx9 s ARG 89 Cb 0.17 -3.10 0.34 0.00 0.52 0.00 0.00 34.95 32.89 3jx9 s ARG 89 CO 0.72 -0.60 1.93 0.66 0.02 0.00 0.00 175.30 178.04 3jx9 h SER 90 N 5.94 1.05 -0.51 0.23 4.64 -1.99 -1.91 113.55 121.01 3jx9 h SER 90 Ca -0.44 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3jx9 h SER 90 Cb 1.21 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3jx9 h SER 90 CO 0.86 0.78 -0.02 -2.24 -0.87 0.00 0.00 176.83 175.34 3jx9 h ASP 91 N 1.22 0.91 -0.17 4.97 2.03 -2.00 -1.32 116.42 122.06 3jx9 h ASP 91 Ca 0.33 -0.32 0.02 0.00 -0.73 0.00 0.00 57.03 56.33 3jx9 h ASP 91 Cb -0.10 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.13 3jx9 h ASP 91 CO -0.07 1.01 0.02 0.25 -1.03 0.00 0.00 179.24 179.42 3jx9 h LEU 92 N 0.78 -0.03 -0.83 0.15 5.85 -1.91 -1.77 115.31 117.55 3jx9 h LEU 92 Ca 0.14 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3jx9 h LEU 92 Cb 0.56 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3jx9 h LEU 92 CO 0.03 0.01 0.51 -0.07 -0.34 0.00 0.00 178.44 178.58 3jx9 h LEU 93 N 0.08 0.81 -1.04 2.25 3.38 -0.99 -0.44 115.31 119.36 3jx9 h LEU 93 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3jx9 h LEU 93 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3jx9 h LEU 93 CO -0.12 0.53 0.15 0.00 0.09 0.00 0.00 178.44 179.08 3jx9 h ALA 94 N 1.38 1.22 -0.25 1.53 0.00 -1.04 -1.92 119.26 120.18 3jx9 h ALA 94 Ca 0.36 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3jx9 h ALA 94 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3jx9 h ALA 94 CO -0.16 0.54 -0.15 0.77 0.00 0.00 0.00 179.25 180.25 3jx9 h SER 95 N 0.81 0.57 -0.94 0.00 0.02 -0.54 -2.42 113.55 111.05 3jx9 h SER 95 Ca 0.18 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3jx9 h SER 95 Cb 0.28 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 3jx9 h SER 95 CO -0.00 0.87 0.61 -0.07 -1.14 0.00 0.00 176.83 177.10 3jx9 h LEU 96 N 0.27 1.08 -0.96 5.07 3.38 -0.90 -0.22 115.31 123.03 3jx9 h LEU 96 Ca 0.05 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3jx9 h LEU 96 Cb 0.67 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3jx9 h LEU 96 CO 0.04 0.79 0.62 0.00 0.09 0.00 0.00 178.44 179.98 3jx9 h ALA 97 N 1.34 1.26 -0.13 1.53 0.00 -1.31 -0.09 119.26 121.85 3jx9 h ALA 97 Ca 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3jx9 h ALA 97 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 3jx9 h ALA 97 CO -0.07 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.74 3jx9 h ARG 98 N 1.22 0.19 -0.69 0.00 3.08 -0.82 -1.67 114.38 115.69 3jx9 h ARG 98 Ca 0.38 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 3jx9 h ARG 98 Cb -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3jx9 h ARG 98 CO -0.12 0.32 0.25 1.88 -1.07 0.00 0.00 179.97 181.23 3jx9 h TYR 99 N 0.03 1.08 -0.55 3.04 0.05 -0.77 -0.69 116.97 119.17 3jx9 h TYR 99 Ca 0.04 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.75 3jx9 h TYR 99 Cb 0.20 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 3jx9 h TYR 99 CO -0.01 0.85 0.33 -0.44 -1.05 0.00 0.00 178.16 177.84 3jx9 h ASP 100 N 1.00 0.54 -0.35 3.88 3.32 -0.99 -0.30 116.42 123.52 3jx9 h ASP 100 Ca 0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3jx9 h ASP 100 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3jx9 h ASP 100 CO -0.01 0.38 0.01 0.00 -1.72 0.00 0.00 179.24 177.89 3jx9 h ALA 101 N 1.24 1.20 -0.00 3.45 0.00 -0.63 -2.49 119.26 122.03 3jx9 h ALA 101 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jx9 h ALA 101 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3jx9 h ALA 101 CO -0.10 0.53 -0.05 0.91 0.00 0.00 0.00 179.25 180.54 3jx9 n TRP 102 N -4.24 0.00 -3.10 0.00 8.01 -0.33 -4.92 117.44 112.87 3jx9 n TRP 102 Ca 0.02 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.99 3jx9 n TRP 102 Cb 0.27 -0.32 0.04 0.00 -2.01 0.00 0.00 31.31 29.29 3jx9 n TRP 102 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3jx9 n HIS 103 N -1.29 -2.07 -3.40 -5.99 8.25 -0.27 -3.77 115.22 106.68 3jx9 n HIS 103 Ca 0.12 0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 57.74 3jx9 n HIS 103 Cb 0.28 -4.53 -0.09 0.00 1.12 0.00 0.00 29.99 26.76 3jx9 n HIS 103 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3jx9 s THR 104 N -3.19 5.18 0.65 1.59 2.01 -0.34 -4.13 115.64 117.40 3jx9 s THR 104 Ca 0.34 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 3jx9 s THR 104 Cb -0.15 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 3jx9 s THR 104 CO 0.42 -0.23 1.16 -2.84 -0.69 0.00 0.00 174.62 172.44 3jx9 s PRO 105 N 1.95 2.71 -0.00 4.92 0.02 -1.26 -4.56 135.00 138.78 3jx9 s PRO 105 Ca 0.10 1.62 -0.00 0.00 0.02 0.00 0.00 61.00 62.73 3jx9 s PRO 105 Cb -0.17 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3jx9 s PRO 105 CO 0.12 -1.36 0.01 1.52 -0.33 0.00 0.00 177.00 176.96 3jx9 s TYR 106 N -2.01 -0.01 -0.20 6.54 -0.85 -1.26 -1.62 117.35 117.95 3jx9 s TYR 106 Ca 0.72 0.03 -0.14 0.00 -0.52 0.00 0.00 57.07 57.16 3jx9 s TYR 106 Cb -0.25 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 3jx9 s TYR 106 CO 0.39 -0.01 0.33 0.45 -1.52 0.00 0.00 175.55 175.19 3jx9 s SER 107 N 0.09 6.38 -0.22 -0.18 0.15 -0.13 -3.12 113.70 116.68 3jx9 s SER 107 Ca -0.01 0.45 -0.06 0.00 0.70 0.00 0.00 55.95 57.03 3jx9 s SER 107 Cb -0.01 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 3jx9 s SER 107 CO -0.00 -0.00 0.04 -0.63 1.20 0.00 0.00 173.24 173.84 3jx9 s ILE 108 N 1.03 4.15 -0.30 6.45 1.01 -1.21 -0.61 121.20 131.72 3jx9 s ILE 108 Ca 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 3jx9 s ILE 108 Cb -0.14 -2.91 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 3jx9 s ILE 108 CO 0.06 0.39 0.11 -0.63 0.00 0.00 0.00 174.94 174.87 3jx9 s ILE 109 N 1.26 4.29 -0.05 2.92 1.01 0.29 -0.83 121.20 130.09 3jx9 s ILE 109 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3jx9 s ILE 109 Cb -0.15 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3jx9 s ILE 109 CO 0.02 0.09 -0.08 0.28 0.00 0.00 0.00 174.94 175.25 3jx9 s THR 110 N 1.56 3.56 0.29 2.92 -1.32 -0.08 -1.23 115.64 121.35 3jx9 s THR 110 Ca 0.04 -0.59 0.27 0.00 -1.21 0.00 0.00 61.69 60.20 3jx9 s THR 110 Cb -0.17 -2.46 0.28 0.00 -1.51 0.00 0.00 72.50 68.64 3jx9 s THR 110 CO 0.04 0.56 1.98 0.25 -2.21 0.00 0.00 174.62 175.24 3jx9 h LEU 111 N 5.13 0.00 0.00 9.08 5.85 -1.24 0.17 115.31 134.31 3jx9 h LEU 111 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3jx9 h LEU 111 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3jx9 h LEU 111 CO 0.52 0.16 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 3jx9 n GLY 112 N -0.32 0.66 4.02 3.75 0.00 -1.20 0.01 105.19 112.10 3jx9 n GLY 112 Ca -0.01 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 3jx9 n GLY 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx9 s ASP 113 N -1.00 4.95 0.23 1.61 -1.08 -1.26 -1.11 116.67 119.00 3jx9 s ASP 113 Ca 0.00 -0.63 -0.30 0.00 -0.52 0.00 0.00 52.55 51.10 3jx9 s ASP 113 Cb 0.00 0.06 -0.10 0.00 -1.46 0.00 0.00 42.92 41.42 3jx9 s ASP 113 CO 0.00 -1.43 1.40 -0.69 0.52 0.00 0.00 175.17 174.97 3jx9 s VAL 114 N -2.78 2.84 0.18 1.11 1.01 -1.26 -4.92 120.40 116.59 3jx9 s VAL 114 Ca 0.62 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 3jx9 s VAL 114 Cb -0.06 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3jx9 s VAL 114 CO 0.40 0.11 0.09 0.42 0.00 0.00 0.00 175.10 176.12 3jx9 s THR 115 N 0.04 0.15 0.23 3.92 -4.23 -1.26 -5.02 115.64 109.47 3jx9 s THR 115 Ca 0.58 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 3jx9 s THR 115 Cb -0.40 -2.35 0.20 0.00 1.34 0.00 0.00 72.50 71.30 3jx9 s THR 115 CO 0.41 -0.18 1.88 -0.33 -0.54 0.00 0.00 174.62 175.86 3jx9 h GLU 116 N 2.67 1.03 -0.57 3.99 5.08 -1.99 -1.73 114.58 123.07 3jx9 h GLU 116 Ca -0.36 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 3jx9 h GLU 116 Cb 1.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3jx9 h GLU 116 CO 0.57 0.68 0.15 1.15 -1.00 0.00 0.00 179.01 180.56 3jx9 h THR 117 N 1.06 1.24 -0.92 1.13 2.02 -1.96 -2.66 112.91 112.83 3jx9 h THR 117 Ca 0.34 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.70 3jx9 h THR 117 Cb 0.02 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 3jx9 h THR 117 CO -0.12 0.32 0.60 0.25 0.37 0.00 0.00 175.52 176.94 3jx9 h LEU 118 N 0.80 0.99 -0.39 2.58 5.85 -1.82 -1.66 115.31 121.67 3jx9 h LEU 118 Ca 0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3jx9 h LEU 118 Cb 0.32 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3jx9 h LEU 118 CO -0.00 0.68 0.00 -0.62 -0.34 0.00 0.00 178.44 178.16 3jx9 n GLU 119 N -4.51 0.05 0.25 1.25 1.02 -0.69 -1.67 120.64 116.35 3jx9 n GLU 119 Ca 0.12 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.86 3jx9 n GLU 119 Cb 0.10 -1.64 0.59 0.00 -0.02 0.00 0.00 31.44 30.46 3jx9 n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jx9 h ARG 120 N 0.00 0.00 -6.59 3.49 3.08 -1.25 -3.44 114.38 109.67 3jx9 h ARG 120 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3jx9 h ARG 120 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 3jx9 h ARG 120 CO 0.00 0.13 0.52 0.45 -1.07 0.00 0.00 179.97 180.00 3jx9 s SER 121 N -5.99 7.16 0.53 7.04 0.15 -0.67 -4.95 113.70 116.97 3jx9 s SER 121 Ca 0.00 2.09 0.30 0.00 0.70 0.00 0.00 55.95 59.04 3jx9 s SER 121 Cb 0.10 -2.60 1.48 0.00 -1.71 0.00 0.00 66.02 63.29 3jx9 s SER 121 CO 0.59 -0.34 2.05 -0.29 1.20 0.00 0.00 173.24 176.45 3jx9 h ILE 122 N 4.03 0.39 -2.25 6.45 6.09 -1.84 -3.35 117.51 127.02 3jx9 h ILE 122 Ca -0.43 -0.56 -0.58 0.00 -1.37 0.00 0.00 64.86 61.92 3jx9 h ILE 122 Cb 1.21 1.40 -0.38 0.00 0.47 0.00 0.00 36.82 39.52 3jx9 h ILE 122 CO 0.76 0.10 -1.01 0.00 -3.07 0.00 0.00 178.15 174.92 3jx9 n ALA 123 N -2.21 2.74 -2.16 0.18 0.00 -1.26 -5.02 120.51 112.78 3jx9 n ALA 123 Ca -0.01 -3.22 -0.29 0.00 0.00 0.00 0.00 53.44 49.92 3jx9 n ALA 123 Cb 0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 3jx9 n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jx9 s PRO 124 N -0.36 3.62 -0.13 0.00 0.04 -1.26 -3.36 135.00 133.56 3jx9 s PRO 124 Ca 0.34 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.71 3jx9 s PRO 124 Cb 0.08 -2.32 0.06 0.00 0.04 0.00 0.00 34.50 32.36 3jx9 s PRO 124 CO -0.17 -0.23 0.27 -1.17 0.04 0.00 0.00 177.00 175.74 3jx9 s LEU 125 N -4.58 -0.15 -0.36 -3.56 2.96 -0.01 -4.91 118.68 108.07 3jx9 s LEU 125 Ca 0.50 0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 54.87 3jx9 s LEU 125 Cb -0.10 0.75 -0.01 0.00 0.50 0.00 0.00 46.19 47.33 3jx9 s LEU 125 CO 0.43 -0.22 0.30 0.00 -1.32 0.00 0.00 176.35 175.54 3jx9 s ALA 126 N 2.14 3.49 -0.26 5.97 0.00 -1.26 -0.90 121.76 130.95 3jx9 s ALA 126 Ca -0.02 -1.40 0.18 0.00 0.00 0.00 0.00 51.96 50.72 3jx9 s ALA 126 Cb -0.12 -2.78 0.15 0.00 0.00 0.00 0.00 23.12 20.37 3jx9 s ALA 126 CO -0.09 -1.13 1.45 -0.07 0.00 0.00 0.00 175.76 175.92 3jx9 h LEU 127 N 8.63 0.00 -2.42 0.00 3.38 -0.56 -3.48 115.31 120.86 3jx9 h LEU 127 Ca -0.30 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.19 3jx9 h LEU 127 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3jx9 h LEU 127 CO 0.68 0.31 -0.91 0.29 0.09 0.00 0.00 178.44 178.90 3jx9 n LYS 128 N -3.14 -2.49 -2.85 1.13 5.02 -0.27 -4.90 118.16 110.67 3jx9 n LYS 128 Ca 0.02 0.40 -0.12 0.00 -2.02 0.00 0.00 58.31 56.59 3jx9 n LYS 128 Cb 0.66 -4.28 0.02 0.00 -0.02 0.00 0.00 35.03 31.41 3jx9 n LYS 128 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3jx9 n PHE 129 N -4.38 0.38 -0.48 2.13 7.35 0.10 -4.88 117.46 117.67 3jx9 n PHE 129 Ca -0.24 -3.06 0.05 0.00 -0.76 0.00 0.00 57.45 53.44 3jx9 n PHE 129 Cb 0.65 -0.16 0.08 0.00 0.35 0.00 0.00 39.48 40.39 3jx9 n PHE 129 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3jx9 n ASP 130 N 0.04 2.27 -4.25 -2.13 5.68 -1.23 -4.84 116.55 112.09 3jx9 n ASP 130 Ca 0.14 -2.48 -0.21 0.00 -0.50 0.00 0.00 54.79 51.73 3jx9 n ASP 130 Cb 0.76 -0.21 -0.12 0.00 -1.14 0.00 0.00 41.12 40.41 3jx9 n ASP 130 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3jx9 s LYS 131 N -1.84 1.04 0.81 0.11 1.02 -1.26 -5.10 119.74 114.52 3jx9 s LYS 131 Ca 0.16 -1.15 -0.12 0.00 0.02 0.00 0.00 55.97 54.87 3jx9 s LYS 131 Cb 0.13 -1.12 0.08 0.00 -0.52 0.00 0.00 37.83 36.41 3jx9 s LYS 131 CO 0.02 0.24 1.17 0.20 -0.92 0.00 0.00 175.35 176.06 3jx9 s GLY 132 N -2.08 1.99 0.00 -3.33 0.00 -1.26 -4.81 107.32 97.82 3jx9 s GLY 132 Ca 0.06 0.68 0.25 0.00 0.00 0.00 0.00 44.72 45.71 3jx9 s GLY 132 CO 0.04 1.08 1.42 1.04 0.00 0.00 0.00 173.10 176.67 3jx9 n LEU 133 N -3.44 1.04 -4.11 0.66 4.77 0.69 -4.53 117.00 112.07 3jx9 n LEU 133 Ca 0.12 -0.29 -0.34 0.00 -0.03 0.00 0.00 56.01 55.48 3jx9 n LEU 133 Cb 0.51 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 3jx9 n LEU 133 CO 0.49 0.21 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.69 3jx9 s LEU 134 N -2.65 4.48 0.46 2.23 1.43 -0.17 -4.97 118.68 119.48 3jx9 s LEU 134 Ca 0.19 -1.73 -0.21 0.00 -1.03 0.00 0.00 54.13 51.35 3jx9 s LEU 134 Cb 0.18 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.61 3jx9 s LEU 134 CO 0.60 -0.37 1.06 -2.16 0.23 0.00 0.00 176.35 175.70 3jx9 s PRO 135 N 1.12 3.87 0.31 1.29 0.04 -1.26 -1.97 135.00 138.40 3jx9 s PRO 135 Ca 0.02 1.45 0.11 0.00 0.04 0.00 0.00 61.00 62.62 3jx9 s PRO 135 Cb -0.21 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 3jx9 s PRO 135 CO -0.04 -0.38 -0.15 0.00 0.04 0.00 0.00 177.00 176.47 3jx9 s ALA 136 N -1.85 2.83 0.02 8.56 0.00 0.52 -4.96 121.76 126.88 3jx9 s ALA 136 Ca 0.65 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.59 3jx9 s ALA 136 Cb -0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3jx9 s ALA 136 CO 0.23 0.18 0.28 -0.85 0.00 0.00 0.00 175.76 175.60 3jx9 n GLU 137 N -0.70 -0.06 0.00 0.00 0.00 -1.26 -2.11 120.64 116.51 3jx9 n GLU 137 Ca -0.05 0.27 0.11 0.00 0.00 0.00 0.00 57.16 57.49 3jx9 n GLU 137 Cb 0.62 -0.41 0.65 0.00 0.00 0.00 0.00 31.44 32.30 3jx9 n GLU 137 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3jx9 n ASP 138 N -3.56 0.00 0.00 -1.84 3.85 -1.26 -4.82 116.55 108.92 3jx9 n ASP 138 Ca 0.00 -1.11 0.00 0.00 -0.71 0.00 0.00 54.79 52.97 3jx9 n ASP 138 Cb 0.04 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 3jx9 n ASP 138 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx9 n GLY 139 N 0.70 0.61 3.88 6.12 0.00 -0.90 -5.08 105.19 110.53 3jx9 n GLY 139 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3jx9 n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx9 s SER 140 N -2.96 6.34 0.03 1.61 1.04 -1.26 -4.87 113.70 113.64 3jx9 s SER 140 Ca 0.00 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.61 3jx9 s SER 140 Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 3jx9 s SER 140 CO 0.00 -0.62 -0.07 -0.13 0.98 0.00 0.00 173.24 173.40 3jx9 s ARG 141 N -4.60 0.51 0.23 4.02 0.52 -1.26 -0.35 118.95 118.01 3jx9 s ARG 141 Ca 0.51 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 3jx9 s ARG 141 Cb -0.10 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.00 3jx9 s ARG 141 CO 0.43 0.07 0.23 -3.38 0.02 0.00 0.00 175.30 172.68 3jx9 s HIS 142 N -1.00 1.07 -0.00 -0.53 -3.43 -0.83 -4.16 115.29 106.40 3jx9 s HIS 142 Ca -0.06 -1.28 -0.00 0.00 -0.80 0.00 0.00 55.06 52.91 3jx9 s HIS 142 Cb -0.08 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.67 3jx9 s HIS 142 CO 0.00 -0.77 0.00 0.41 -2.00 0.00 0.00 174.74 172.39 3jx9 n GLY 143 N -0.35 -0.67 2.95 -1.38 0.00 -1.26 -1.00 105.19 103.47 3jx9 n GLY 143 Ca 0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3jx9 n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jx9 s LEU 144 N -1.07 4.13 -1.09 0.99 2.96 -1.26 -0.23 118.68 123.11 3jx9 s LEU 144 Ca 0.00 -2.02 -0.09 0.00 -0.22 0.00 0.00 54.13 51.80 3jx9 s LEU 144 Cb -0.00 -1.44 -0.14 0.00 0.50 0.00 0.00 46.19 45.11 3jx9 s LEU 144 CO 0.01 -0.39 3.16 -0.81 -1.32 0.00 0.00 176.35 177.00 3jx9 n PRO 145 N 4.40 3.17 -0.04 0.98 -0.04 -1.26 -4.63 135.00 137.58 3jx9 n PRO 145 Ca 0.02 -1.85 -0.12 0.00 -0.04 0.00 0.00 63.50 61.51 3jx9 n PRO 145 Cb 0.42 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.28 3jx9 n PRO 145 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3jx9 h SER 146 N 4.33 0.20 -0.62 3.54 4.64 -1.95 -1.61 113.55 122.08 3jx9 h SER 146 Ca 0.65 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 3jx9 h SER 146 Cb 0.68 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 3jx9 h SER 146 CO 1.27 0.50 0.24 0.25 -0.87 0.00 0.00 176.83 178.23 3jx9 h LEU 147 N -0.11 0.89 -0.74 5.97 5.85 -1.94 -2.31 115.31 122.92 3jx9 h LEU 147 Ca 0.03 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3jx9 h LEU 147 Cb 0.41 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3jx9 h LEU 147 CO 0.01 0.80 0.43 0.00 -0.34 0.00 0.00 178.44 179.34 3jx9 h ALA 148 N 1.32 1.00 -0.52 1.25 0.00 -1.87 0.44 119.26 120.88 3jx9 h ALA 148 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3jx9 h ALA 148 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3jx9 h ALA 148 CO -0.02 0.12 0.26 1.25 0.00 0.00 0.00 179.25 180.87 3jx9 h LEU 149 N 0.78 0.67 -0.46 0.00 5.85 -0.95 -1.06 115.31 120.15 3jx9 h LEU 149 Ca 0.33 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3jx9 h LEU 149 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3jx9 h LEU 149 CO -0.18 0.60 0.03 1.23 -0.34 0.00 0.00 178.44 179.77 3jx9 h GLY 150 N 0.70 0.86 1.00 3.75 0.00 -0.87 -1.53 103.07 106.98 3jx9 h GLY 150 Ca 0.18 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3jx9 h GLY 150 CO -0.02 0.57 0.26 0.00 0.00 0.00 0.00 176.54 177.34 3jx9 h ALA 151 N 0.93 0.82 -0.42 3.60 0.00 -0.82 0.42 119.26 123.78 3jx9 h ALA 151 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3jx9 h ALA 151 Cb 0.46 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3jx9 h ALA 151 CO 0.02 0.42 0.21 0.35 0.00 0.00 0.00 179.25 180.25 3jx9 h PHE 152 N 0.88 0.39 -0.53 0.00 3.57 -1.05 -0.39 116.94 119.80 3jx9 h PHE 152 Ca 0.21 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3jx9 h PHE 152 Cb 0.19 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3jx9 h PHE 152 CO 0.01 0.20 0.05 -0.07 -2.23 0.00 0.00 178.31 176.27 3jx9 h LEU 153 N 0.42 0.88 -1.18 0.59 3.38 -0.91 -1.76 115.31 116.73 3jx9 h LEU 153 Ca 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3jx9 h LEU 153 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3jx9 h LEU 153 CO -0.12 0.94 0.20 0.25 0.09 0.00 0.00 178.44 179.80 3jx9 h LEU 154 N 0.79 0.70 -0.46 1.67 5.85 -0.72 -0.37 115.31 122.77 3jx9 h LEU 154 Ca 0.16 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3jx9 h LEU 154 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3jx9 h LEU 154 CO 0.02 0.64 0.25 0.74 -0.34 0.00 0.00 178.44 179.75 3jx9 h THR 155 N 0.76 1.17 0.17 1.05 2.02 -0.70 0.16 112.91 117.53 3jx9 h THR 155 Ca 0.18 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3jx9 h THR 155 Cb 0.17 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3jx9 h THR 155 CO -0.01 0.18 -0.11 -0.74 0.37 0.00 0.00 175.52 175.20 3jx9 h HIS 156 N 0.60 -0.29 -0.08 3.16 -0.00 -0.86 -0.99 115.15 116.69 3jx9 h HIS 156 Ca 0.16 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.56 3jx9 h HIS 156 Cb 0.07 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 3jx9 h HIS 156 CO -0.02 -0.18 -0.08 0.82 -0.00 0.00 0.00 177.93 178.47 3jx9 h ILE 157 N -0.28 0.77 -0.63 6.26 2.04 -0.88 0.80 117.51 125.59 3jx9 h ILE 157 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3jx9 h ILE 157 Cb 0.24 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3jx9 h ILE 157 CO 0.00 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.45 3jx9 h LEU 158 N -0.11 0.56 -0.56 1.44 3.38 -0.62 -0.39 115.31 119.02 3jx9 h LEU 158 Ca 0.06 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3jx9 h LEU 158 Cb 0.19 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3jx9 h LEU 158 CO -0.14 0.37 0.05 0.74 0.09 0.00 0.00 178.44 179.55 3jx9 h THR 159 N 0.69 1.26 -0.41 0.22 2.02 -0.89 -1.04 112.91 114.76 3jx9 h THR 159 Ca 0.27 -1.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 3jx9 h THR 159 Cb 0.12 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3jx9 h THR 159 CO -0.15 0.38 -0.09 -0.61 0.37 0.00 0.00 175.52 175.42 3jx9 h GLN 160 N 0.84 0.79 -0.64 6.66 5.75 -0.63 -1.17 115.11 126.70 3jx9 h GLN 160 Ca 0.16 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 3jx9 h GLN 160 Cb 0.48 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 3jx9 h GLN 160 CO 0.02 0.91 0.36 -0.07 -2.65 0.00 0.00 178.83 177.40 3jx9 h LEU 161 N 0.61 0.79 -0.77 -2.39 3.38 -0.94 -2.90 115.31 113.09 3jx9 h LEU 161 Ca 0.11 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3jx9 h LEU 161 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3jx9 h LEU 161 CO 0.04 0.64 -0.27 -0.61 0.09 0.00 0.00 178.44 178.33 3jx9 h GLN 162 N 0.87 0.63 -0.15 1.13 5.75 -1.09 -1.04 115.11 121.20 3jx9 h GLN 162 Ca 0.23 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3jx9 h GLN 162 Cb 0.02 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3jx9 h GLN 162 CO -0.04 0.83 0.00 -1.91 -2.65 0.00 0.00 178.83 175.06 3jx9 n GLU 163 N -4.10 0.12 0.00 1.69 2.13 -0.45 -1.24 120.64 118.79 3jx9 n GLU 163 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3jx9 n GLU 163 Cb 0.44 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.08 3jx9 n GLU 163 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3jx9 n THR 165 N 0.45 0.00 -0.18 6.31 -1.04 -0.40 -2.30 114.28 117.12 3jx9 n THR 165 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3jx9 n THR 165 Cb 0.03 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 68.76 3jx9 n THR 165 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3jx9 h GLU 166 N 0.00 0.92 0.00 -2.82 5.08 -1.44 -2.14 114.58 114.18 3jx9 h GLU 166 Ca 0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3jx9 h GLU 166 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3jx9 h GLU 166 CO 0.00 0.69 -0.01 0.93 -1.00 0.00 0.00 179.01 179.62 3jx9 h GLU 167 N 0.93 0.00 0.00 2.33 3.07 -1.72 -3.55 114.58 115.64 3jx9 h GLU 167 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3jx9 h GLU 167 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3jx9 h GLU 167 CO -0.04 0.01 0.00 0.91 -1.40 0.00 0.00 179.01 178.50