#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 -0.26 0.99 7.94 -1.26 -1.73 117.00 122.67 3jx9 n LEU 2 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3jx9 n LEU 2 Cb 0.00 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.06 3jx9 n LEU 2 CO 0.00 0.00 1.08 0.50 -1.11 0.00 0.00 177.39 177.86 3jx9 h LYS 3 N 0.00 1.12 -0.21 1.96 1.63 -2.05 -0.79 116.57 118.23 3jx9 h LYS 3 Ca 0.00 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 3jx9 h LYS 3 Cb 0.00 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 3jx9 h LYS 3 CO 0.00 0.89 0.05 0.82 -3.45 0.00 0.00 179.45 177.76 3jx9 h ILE 4 N 1.10 1.21 -0.81 2.00 1.08 -1.78 -0.58 117.51 119.73 3jx9 h ILE 4 Ca 0.26 -0.69 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 3jx9 h ILE 4 Cb 0.16 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3jx9 h ILE 4 CO -0.03 0.22 0.39 0.25 -0.69 0.00 0.00 178.15 178.29 3jx9 h LEU 5 N 0.16 1.06 -0.34 1.44 5.85 -1.79 -0.04 115.31 121.64 3jx9 h LEU 5 Ca 0.07 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3jx9 h LEU 5 Cb 0.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3jx9 h LEU 5 CO 0.00 0.89 0.22 0.00 -0.34 0.00 0.00 178.44 179.21 3jx9 h ALA 6 N 1.21 0.43 -0.14 1.25 0.00 -0.95 0.26 119.26 121.32 3jx9 h ALA 6 Ca 0.28 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3jx9 h ALA 6 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jx9 h ALA 6 CO -0.04 -0.12 -0.62 1.79 0.00 0.00 0.00 179.25 180.26 3jx9 h THR 7 N 0.44 1.34 -0.37 0.00 1.35 -0.68 -0.41 112.91 114.58 3jx9 h THR 7 Ca 0.13 -1.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 3jx9 h THR 7 Cb -0.03 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3jx9 h THR 7 CO -0.04 0.59 0.21 1.56 -0.25 0.00 0.00 175.52 177.58 3jx9 h GLN 8 N 0.37 0.52 -0.50 4.72 1.08 -0.84 -1.54 115.11 118.92 3jx9 h GLN 8 Ca -0.01 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3jx9 h GLN 8 Cb 1.18 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 3jx9 h GLN 8 CO 0.11 0.42 0.21 0.35 -0.95 0.00 0.00 178.83 178.98 3jx9 h PHE 9 N 0.48 0.75 -0.31 2.96 3.57 -0.70 -2.44 116.94 121.24 3jx9 h PHE 9 Ca 0.13 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3jx9 h PHE 9 Cb 0.05 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3jx9 h PHE 9 CO -0.03 0.61 0.10 -0.97 -2.23 0.00 0.00 178.31 175.80 3jx9 h ASN 10 N 0.66 0.39 -0.91 0.41 -1.24 -0.95 -1.25 115.58 112.69 3jx9 h ASN 10 Ca 0.17 -0.04 0.09 0.00 0.71 0.00 0.00 56.30 57.23 3jx9 h ASN 10 Cb 0.17 -0.10 -0.07 0.00 0.73 0.00 0.00 38.32 39.05 3jx9 h ASN 10 CO -0.02 0.37 0.56 1.23 -1.29 0.00 0.00 177.43 178.28 3jx9 h GLY 11 N 0.61 1.42 0.85 1.57 0.00 -0.78 0.37 103.07 107.11 3jx9 h GLY 11 Ca 0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3jx9 h GLY 11 CO -0.01 0.20 -0.16 1.70 0.00 0.00 0.00 176.54 178.27 3jx9 h LYS 12 N 0.94 0.51 -0.79 4.80 1.63 -1.14 -2.49 116.57 120.02 3jx9 h LYS 12 Ca 0.43 -0.24 0.14 0.00 -0.85 0.00 0.00 60.65 60.12 3jx9 h LYS 12 Cb 0.33 -0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.86 3jx9 h LYS 12 CO -0.23 0.81 0.36 -0.07 -3.45 0.00 0.00 179.45 176.87 3jx9 h LEU 13 N 0.21 0.40 -0.61 5.20 3.38 -0.76 -0.75 115.31 122.38 3jx9 h LEU 13 Ca 0.04 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3jx9 h LEU 13 Cb 0.68 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3jx9 h LEU 13 CO 0.04 0.17 0.19 1.56 0.09 0.00 0.00 178.44 180.49 3jx9 h GLN 14 N 0.53 0.96 -0.06 1.13 4.20 -0.85 -2.46 115.11 118.56 3jx9 h GLN 14 Ca 0.43 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3jx9 h GLN 14 Cb 0.61 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3jx9 h GLN 14 CO -0.37 0.85 -0.46 1.79 -0.67 0.00 0.00 178.83 179.97 3jx9 h THR 15 N 0.88 1.33 -0.48 -0.54 1.35 -0.98 -2.79 112.91 111.68 3jx9 h THR 15 Ca 0.20 -1.61 -0.03 0.00 -0.55 0.00 0.00 66.41 64.41 3jx9 h THR 15 Cb 0.30 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3jx9 h THR 15 CO -0.01 0.47 0.16 -0.07 -0.25 0.00 0.00 175.52 175.83 3jx9 h LEU 16 N 0.11 0.64 -1.31 3.87 3.38 -0.92 -2.89 115.31 118.19 3jx9 h LEU 16 Ca 0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3jx9 h LEU 16 Cb 0.86 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3jx9 h LEU 16 CO 0.07 0.60 -0.14 0.71 0.09 0.00 0.00 178.44 179.76 3jx9 h THR 17 N 0.69 0.37 0.00 0.22 1.35 -1.16 0.61 112.91 115.00 3jx9 h THR 17 Ca 0.16 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3jx9 h THR 17 Cb 0.18 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3jx9 h THR 17 CO -0.01 0.14 0.00 0.29 -0.25 0.00 0.00 175.52 175.69 3jx9 n LYS 18 N -3.31 0.48 -1.04 4.72 5.02 -1.09 -3.02 118.16 119.92 3jx9 n LYS 18 Ca 0.00 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 3jx9 n LYS 18 Cb 0.37 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.22 2.09 -0.32 1.97 6.02 0.21 -4.73 117.38 121.40 3jx9 n GLN 19 Ca 0.14 -3.18 0.08 0.00 -0.01 0.00 0.00 57.00 54.03 3jx9 n GLN 19 Cb 0.18 -1.98 0.28 0.00 1.02 0.00 0.00 30.24 29.73 3jx9 n GLN 19 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3jx9 h GLU 20 N 1.11 0.88 -0.30 -1.09 4.81 -1.58 -2.16 114.58 116.25 3jx9 h GLU 20 Ca 0.39 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3jx9 h GLU 20 Cb 2.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 3jx9 h GLU 20 CO 0.72 0.58 0.15 -0.44 -0.73 0.00 0.00 179.01 179.29 3jx9 h ASP 21 N 0.91 0.39 -0.49 1.04 3.32 -1.89 0.63 116.42 120.33 3jx9 h ASP 21 Ca 0.47 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 3jx9 h ASP 21 Cb 0.51 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3jx9 h ASP 21 CO -0.23 0.40 0.15 -0.33 -1.72 0.00 0.00 179.24 177.51 3jx9 h GLU 22 N 0.36 0.82 -0.42 3.56 3.07 -1.79 -1.24 114.58 118.94 3jx9 h GLU 22 Ca 0.11 -0.16 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 3jx9 h GLU 22 Cb 0.10 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3jx9 h GLU 22 CO -0.01 0.73 -0.28 -0.07 -1.40 0.00 0.00 179.01 177.97 3jx9 h LEU 23 N 0.79 0.95 -1.14 1.33 3.38 -1.17 -2.49 115.31 116.96 3jx9 h LEU 23 Ca 0.18 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3jx9 h LEU 23 Cb 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3jx9 h LEU 23 CO -0.01 1.16 0.59 -0.26 0.09 0.00 0.00 178.44 180.02 3jx9 h PHE 24 N 0.78 1.05 -0.97 1.13 0.04 -0.51 -1.60 116.94 116.86 3jx9 h PHE 24 Ca 0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3jx9 h PHE 24 Cb 0.85 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 3jx9 h PHE 24 CO 0.05 0.55 0.64 -0.44 -0.60 0.00 0.00 178.31 178.51 3jx9 h ASP 25 N 1.03 1.08 0.52 2.17 3.32 -0.88 0.56 116.42 124.21 3jx9 h ASP 25 Ca 0.39 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3jx9 h ASP 25 Cb 0.20 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3jx9 h ASP 25 CO -0.15 0.76 -0.25 0.58 -1.72 0.00 0.00 179.24 178.46 3jx9 h VAL 26 N 1.26 0.49 -0.64 -1.35 2.07 -0.99 -2.34 116.25 114.75 3jx9 h VAL 26 Ca 0.37 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.88 3jx9 h VAL 26 Cb -0.06 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3jx9 h VAL 26 CO -0.10 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.43 3jx9 h VAL 27 N -0.69 1.20 -0.77 2.57 2.07 -0.98 -1.90 116.25 117.75 3jx9 h VAL 27 Ca -0.07 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3jx9 h VAL 27 Cb 0.53 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3jx9 h VAL 27 CO 0.12 0.22 0.29 0.03 0.02 0.00 0.00 177.57 178.24 3jx9 h ARG 28 N 0.87 1.16 -0.49 1.57 3.08 -0.90 0.56 114.38 120.23 3jx9 h ARG 28 Ca 0.23 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jx9 h ARG 28 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3jx9 h ARG 28 CO -0.04 0.95 0.30 1.25 -1.07 0.00 0.00 179.97 181.36 3jx9 h LEU 29 N 1.13 0.58 -0.50 3.04 5.85 -0.99 -2.59 115.31 121.83 3jx9 h LEU 29 Ca 0.25 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3jx9 h LEU 29 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3jx9 h LEU 29 CO -0.02 0.46 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.39 3jx9 h LEU 30 N 0.65 0.94 -2.15 2.25 3.38 -1.04 -2.90 115.31 116.45 3jx9 h LEU 30 Ca 0.18 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3jx9 h LEU 30 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3jx9 h LEU 30 CO -0.03 1.07 -0.05 0.00 0.09 0.00 0.00 178.44 179.51 3jx9 h ALA 31 N 0.91 1.60 -0.90 1.53 0.00 -0.67 -1.55 119.26 120.17 3jx9 h ALA 31 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3jx9 h ALA 31 Cb 0.64 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3jx9 h ALA 31 CO 0.04 0.06 0.59 1.96 0.00 0.00 0.00 179.25 181.90 3jx9 h GLN 32 N 0.00 1.01 -0.93 0.00 4.20 -1.25 -0.97 115.11 117.17 3jx9 h GLN 32 Ca -0.00 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.73 3jx9 h GLN 32 Cb 0.11 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 3jx9 h GLN 32 CO 0.01 0.67 0.58 0.00 -0.67 0.00 0.00 178.83 179.41 3jx9 h ALA 33 N 1.50 1.31 0.00 3.87 0.00 -1.42 -2.90 119.26 121.63 3jx9 h ALA 33 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3jx9 h ALA 33 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3jx9 h ALA 33 CO -0.14 0.29 0.00 -0.07 0.00 0.00 0.00 179.25 179.33 3jx9 h LEU 34 N 1.01 0.00 -0.77 0.00 3.38 -1.27 -2.77 115.31 114.90 3jx9 h LEU 34 Ca 0.42 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 3jx9 h LEU 34 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3jx9 h LEU 34 CO -0.20 0.00 -0.19 -0.37 0.09 0.00 0.00 178.44 177.77 3jx9 h VAL 35 N 0.00 1.27 -0.29 1.22 -1.51 -1.28 -3.46 116.25 112.20 3jx9 h VAL 35 Ca 0.00 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 3jx9 h VAL 35 Cb 0.63 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3jx9 h VAL 35 CO 0.00 0.42 0.00 0.61 -1.23 0.00 0.00 177.57 177.37 3jx9 n GLY 36 N -0.33 2.56 1.11 5.19 0.00 -1.05 -5.01 105.19 107.67 3jx9 n GLY 36 Ca 0.00 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 2.46 -1.71 1.61 1.13 -1.26 -4.98 117.38 114.63 3jx9 n GLN 37 Ca 0.00 -2.22 -0.29 0.00 -1.94 0.00 0.00 57.00 52.55 3jx9 n GLN 37 Cb 0.00 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.00 3jx9 n GLN 37 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3jx9 s GLY 38 N -1.57 1.65 0.22 1.08 0.00 -1.22 -5.03 107.32 102.45 3jx9 s GLY 38 Ca 0.36 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 44.32 3jx9 s GLY 38 CO 0.31 -0.18 -0.09 0.54 0.00 0.00 0.00 173.10 173.68 3jx9 s LYS 39 N -5.57 1.36 -0.21 2.90 1.02 -1.26 -4.51 119.74 113.46 3jx9 s LYS 39 Ca 0.67 -1.64 -0.11 0.00 0.02 0.00 0.00 55.97 54.91 3jx9 s LYS 39 Cb -0.10 -0.98 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 3jx9 s LYS 39 CO 0.52 0.08 0.18 0.08 -0.92 0.00 0.00 175.35 175.30 3jx9 s VAL 40 N -3.11 5.36 -0.11 3.17 1.01 -0.14 -1.46 120.40 125.12 3jx9 s VAL 40 Ca 0.25 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3jx9 s VAL 40 Cb 0.02 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3jx9 s VAL 40 CO 0.08 0.38 -0.15 -0.31 0.00 0.00 0.00 175.10 175.09 3jx9 s TYR 41 N 0.74 2.74 -0.24 5.22 2.02 -0.04 -1.09 117.35 126.70 3jx9 s TYR 41 Ca 0.10 -0.61 -0.22 0.00 -0.37 0.00 0.00 57.07 55.97 3jx9 s TYR 41 Cb -0.13 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 3jx9 s TYR 41 CO 0.02 -0.16 0.71 -1.17 -1.57 0.00 0.00 175.55 173.38 3jx9 s LEU 42 N 0.12 4.09 -0.31 -1.29 2.96 0.36 -0.33 118.68 124.28 3jx9 s LEU 42 Ca -0.07 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 3jx9 s LEU 42 Cb -0.15 -3.00 0.08 0.00 0.50 0.00 0.00 46.19 43.63 3jx9 s LEU 42 CO 0.05 -0.41 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.04 3jx9 s ASP 43 N 1.37 4.66 -0.01 3.68 2.15 0.35 -0.99 116.67 127.88 3jx9 s ASP 43 Ca 0.30 -1.85 0.05 0.00 0.43 0.00 0.00 52.55 51.49 3jx9 s ASP 43 Cb -0.16 -1.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.83 3jx9 s ASP 43 CO 0.09 -0.31 -0.16 0.00 -0.17 0.00 0.00 175.17 174.61 3jx9 s ALA 44 N 0.99 2.61 0.06 3.66 0.00 -1.26 -2.89 121.76 124.92 3jx9 s ALA 44 Ca 0.03 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 50.99 3jx9 s ALA 44 Cb -0.19 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3jx9 s ALA 44 CO -0.07 0.57 -0.24 0.71 0.00 0.00 0.00 175.76 176.73 3jx9 s TYR 45 N -0.82 2.39 0.00 0.00 1.51 -0.33 -4.42 117.35 115.68 3jx9 s TYR 45 Ca 0.13 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3jx9 s TYR 45 Cb -0.11 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 3jx9 s TYR 45 CO 0.03 0.19 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 3jx9 n GLY 46 N 1.60 3.41 0.38 0.71 0.00 -1.26 -1.58 105.19 108.45 3jx9 n GLY 46 Ca -0.17 -0.18 0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 1.61 4.81 -1.97 -1.23 114.58 117.80 3jx9 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3jx9 h GLU 47 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3jx9 h GLU 47 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.47 3jx9 n PHE 48 N -4.26 0.00 0.32 0.92 3.72 -0.61 -1.28 117.46 116.27 3jx9 n PHE 48 Ca 0.09 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.66 3jx9 n PHE 48 Cb 0.61 -0.49 0.89 0.00 -0.94 0.00 0.00 39.48 39.55 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 -1.34 -0.03 114.58 117.20 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 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 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 -1.21 -0.86 0.16 -3.84 0.00 -0.40 -2.02 105.19 97.01 3jx9 n GLY 50 Ca -0.02 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.58 0.99 3.38 -1.24 -3.36 115.31 114.50 3jx9 h LEU 51 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3jx9 h LEU 51 Cb 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3jx9 h LEU 51 CO 0.00 0.42 0.20 1.88 0.09 0.00 0.00 178.44 181.03 3jx9 h TYR 52 N 0.00 0.34 0.00 1.13 0.05 -1.59 -3.33 116.97 113.57 3jx9 h TYR 52 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3jx9 h TYR 52 Cb 1.21 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.89 3jx9 h TYR 52 CO 0.00 0.08 0.50 -2.30 -1.05 0.00 0.00 178.16 175.39 3jx9 n PRO 53 N -5.02 0.00 0.00 4.88 -0.02 -1.26 -3.28 135.00 130.30 3jx9 n PRO 53 Ca 0.08 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3jx9 n PRO 53 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 3.02 0.00 -0.09 2.45 4.77 -1.25 -0.31 117.00 125.58 3jx9 n LEU 55 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3jx9 n LEU 55 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3jx9 n LEU 55 CO 0.25 0.00 -1.12 -1.54 -1.33 0.00 0.00 177.39 173.65 3jx9 n SER 56 N 0.00 0.97 0.00 -1.43 3.41 -1.21 -4.71 113.62 110.66 3jx9 n SER 56 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3jx9 n SER 56 Cb 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -3.03 0.50 -4.91 4.04 9.92 0.58 -5.06 116.55 118.59 3jx9 n ASP 57 Ca -0.36 -0.83 -0.28 0.00 -0.53 0.00 0.00 54.79 52.80 3jx9 n ASP 57 Cb 1.08 0.17 0.05 0.00 -0.64 0.00 0.00 41.12 41.78 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 -0.17 1.63 0.51 0.44 0.00 -1.07 -4.99 107.32 103.67 3jx9 s GLY 58 Ca 0.00 -0.65 0.30 0.00 0.00 0.00 0.00 44.72 44.37 3jx9 s GLY 58 CO 0.00 -0.29 1.92 -0.56 0.00 0.00 0.00 173.10 174.17 3jx9 h PRO 59 N -0.53 0.00 -0.25 2.90 0.13 -1.98 -3.12 132.00 129.15 3jx9 h PRO 59 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 3jx9 h PRO 59 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3jx9 h PRO 59 CO 0.62 0.07 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.17 3jx9 n ASP 60 N -3.20 3.08 -3.17 1.44 8.00 -1.26 -5.17 116.55 116.28 3jx9 n ASP 60 Ca 0.01 -3.34 -0.20 0.00 0.71 0.00 0.00 54.79 51.96 3jx9 n ASP 60 Cb 0.35 -0.56 0.20 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.89 -3.76 -2.76 -1.24 10.64 -1.18 -4.74 117.38 113.44 3jx9 n GLN 61 Ca 0.25 -0.97 -0.41 0.00 -1.83 0.00 0.00 57.00 54.03 3jx9 n GLN 61 Cb 0.91 -1.31 -0.04 0.00 -0.86 0.00 0.00 30.24 28.94 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 -4.31 4.59 0.00 2.61 3.01 -1.26 -5.09 119.74 119.29 3jx9 s LYS 63 Ca 0.45 1.36 0.00 0.00 -1.01 0.00 0.00 55.97 56.77 3jx9 s LYS 63 Cb -0.08 -3.42 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 3jx9 s LYS 63 CO 0.38 0.07 0.00 0.54 0.51 0.00 0.00 175.35 176.85 3jx9 n ARG 64 N 3.43 0.00 -4.06 1.68 1.74 -1.26 -5.00 116.66 113.19 3jx9 n ARG 64 Ca 0.04 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 3jx9 n ARG 64 Cb 0.50 -1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.98 2.25 0.13 1.55 1.01 -1.26 -0.97 120.40 120.14 3jx9 s VAL 65 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 3jx9 s VAL 65 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3jx9 s VAL 65 CO 0.00 0.13 0.11 0.28 0.00 0.00 0.00 175.10 175.62 3jx9 s THR 66 N 1.18 0.10 0.24 3.92 -1.32 -0.25 -4.95 115.64 114.56 3jx9 s THR 66 Ca -0.04 -1.78 -0.30 0.00 -1.21 0.00 0.00 61.69 58.36 3jx9 s THR 66 Cb -0.18 -1.97 -0.09 0.00 -1.51 0.00 0.00 72.50 68.75 3jx9 s THR 66 CO -0.07 -0.45 1.34 -0.75 -2.21 0.00 0.00 174.62 172.48 3jx9 s LYS 67 N -4.02 4.36 0.31 7.08 2.20 -1.26 -0.49 119.74 127.92 3jx9 s LYS 67 Ca 0.22 2.15 -0.28 0.00 -0.36 0.00 0.00 55.97 57.69 3jx9 s LYS 67 Cb 0.06 -3.15 -0.13 0.00 -1.51 0.00 0.00 37.83 33.11 3jx9 s LYS 67 CO 0.01 -0.27 1.13 1.51 -0.36 0.00 0.00 175.35 177.37 3jx9 n ILE 68 N 2.12 1.98 -4.32 5.43 0.13 -0.16 -4.76 119.36 119.78 3jx9 n ILE 68 Ca 0.05 -0.49 -0.34 0.00 -1.10 0.00 0.00 62.75 60.86 3jx9 n ILE 68 Cb 0.42 -1.24 -0.11 0.00 -0.84 0.00 0.00 39.64 37.87 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 -1.67 3.69 0.29 9.51 -2.85 -1.26 -5.02 119.74 122.43 3jx9 s LYS 69 Ca 0.57 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 3jx9 s LYS 69 Cb -0.65 -2.97 -0.11 0.00 -2.06 0.00 0.00 37.83 32.04 3jx9 s LYS 69 CO 0.61 0.29 1.61 -0.51 0.10 0.00 0.00 175.35 177.44 3jx9 s ASP 70 N 0.26 6.36 0.00 0.03 1.11 -1.26 -2.75 116.67 120.41 3jx9 s ASP 70 Ca -0.01 2.96 0.00 0.00 0.18 0.00 0.00 52.55 55.68 3jx9 s ASP 70 Cb -0.14 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.22 3jx9 s ASP 70 CO 0.02 -0.93 0.00 1.41 1.18 0.00 0.00 175.17 176.85 3jx9 n HIS 71 N 2.21 0.00 -2.77 4.23 8.25 -1.26 -4.98 115.22 120.90 3jx9 n HIS 71 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 3jx9 n HIS 71 Cb 0.37 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.02 4.35 -0.10 -0.41 2.20 -1.11 -5.00 119.74 119.66 3jx9 s LYS 72 Ca 0.00 1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 56.54 3jx9 s LYS 72 Cb 0.00 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3jx9 s LYS 72 CO 0.00 -0.35 1.01 0.99 -0.36 0.00 0.00 175.35 176.64 3jx9 s THR 73 N 2.19 4.78 0.38 3.43 2.01 -1.26 -4.95 115.64 122.22 3jx9 s THR 73 Ca 0.44 2.04 0.07 0.00 0.31 0.00 0.00 61.69 64.54 3jx9 s THR 73 Cb -0.17 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.03 3jx9 s THR 73 CO 0.14 0.01 0.53 -0.76 -0.69 0.00 0.00 174.62 173.85 3jx9 s LEU 74 N 1.96 3.80 0.45 4.42 1.43 -1.26 -5.13 118.68 124.34 3jx9 s LEU 74 Ca 0.49 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3jx9 s LEU 74 Cb -0.19 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 3jx9 s LEU 74 CO 0.19 -0.62 0.06 -1.00 0.23 0.00 0.00 176.35 175.21 3jx9 s HIS 75 N -2.28 1.89 0.20 0.29 3.76 -1.26 -4.84 115.29 113.06 3jx9 s HIS 75 Ca 0.51 -1.07 0.33 0.00 -0.15 0.00 0.00 55.06 54.68 3jx9 s HIS 75 Cb -0.10 -1.41 1.44 0.00 1.11 0.00 0.00 32.58 33.62 3jx9 s HIS 75 CO 0.32 0.01 2.02 0.00 -0.85 0.00 0.00 174.74 176.24 3jx9 h ALA 76 N 1.62 1.03 0.00 -1.40 0.00 -1.72 -2.31 119.26 116.48 3jx9 h ALA 76 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3jx9 h ALA 76 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3jx9 h ALA 76 CO 0.67 0.05 -0.27 1.33 0.00 0.00 0.00 179.25 181.04 3jx9 n VAL 77 N -3.18 0.08 -2.11 0.00 0.24 -1.26 -4.60 118.33 107.51 3jx9 n VAL 77 Ca -0.00 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.34 61.96 3jx9 n VAL 77 Cb 0.29 -0.17 0.03 0.00 -1.47 0.00 0.00 33.84 32.52 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 -3.24 5.81 -0.01 -1.34 1.01 -0.87 -4.26 116.67 113.78 3jx9 s ASP 78 Ca 0.12 1.08 0.02 0.00 0.71 0.00 0.00 52.55 54.49 3jx9 s ASP 78 Cb 0.17 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 42.03 3jx9 s ASP 78 CO 0.62 -1.04 -0.08 -0.13 0.21 0.00 0.00 175.17 174.75 3jx9 s ARG 79 N -5.14 0.72 -0.15 8.23 1.81 -0.53 -4.07 118.95 119.81 3jx9 s ARG 79 Ca 0.55 -0.28 -0.03 0.00 -1.72 0.00 0.00 55.73 54.25 3jx9 s ARG 79 Cb -0.11 -0.69 -0.02 0.00 -0.45 0.00 0.00 34.95 33.68 3jx9 s ARG 79 CO 0.50 0.15 -0.06 0.08 -0.68 0.00 0.00 175.30 175.29 3jx9 s VAL 80 N -0.07 3.60 -0.27 3.52 1.01 -0.54 -0.86 120.40 126.79 3jx9 s VAL 80 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 3jx9 s VAL 80 Cb -0.05 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3jx9 s VAL 80 CO -0.00 0.49 0.13 -0.22 0.00 0.00 0.00 175.10 175.51 3jx9 s LEU 81 N 0.48 3.79 -0.13 3.92 2.96 0.55 -0.63 118.68 129.62 3jx9 s LEU 81 Ca -0.05 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3jx9 s LEU 81 Cb -0.15 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3jx9 s LEU 81 CO 0.03 -0.07 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.31 3jx9 s ILE 82 N 1.68 3.75 -0.13 6.68 1.01 0.21 -0.49 121.20 133.91 3jx9 s ILE 82 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3jx9 s ILE 82 Cb -0.16 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 3jx9 s ILE 82 CO 0.07 0.52 -0.19 -0.36 0.00 0.00 0.00 174.94 174.98 3jx9 s PHE 83 N 0.11 2.68 -0.02 3.97 0.40 -1.14 -0.01 117.98 123.96 3jx9 s PHE 83 Ca -0.02 -1.02 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 3jx9 s PHE 83 Cb -0.14 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.60 3jx9 s PHE 83 CO 0.03 -0.42 0.11 -0.08 0.70 0.00 0.00 175.22 175.56 3jx9 s THR 84 N 0.54 0.04 0.40 0.64 -1.32 -0.28 -1.19 115.64 114.47 3jx9 s THR 84 Ca -0.12 -0.34 0.11 0.00 -1.21 0.00 0.00 61.69 60.13 3jx9 s THR 84 Cb -0.17 -0.27 0.16 0.00 -1.51 0.00 0.00 72.50 70.71 3jx9 s THR 84 CO 0.04 -0.19 1.93 1.55 -2.21 0.00 0.00 174.62 175.75 3jx9 h PRO 85 N 5.24 0.16 -3.23 7.08 0.13 -1.88 -1.72 132.00 137.77 3jx9 h PRO 85 Ca -0.28 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3jx9 h PRO 85 Cb 1.20 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 3jx9 h PRO 85 CO 0.42 0.32 0.09 0.16 -0.23 0.00 0.00 178.00 178.76 3jx9 s ASP 86 N -6.92 -0.24 -0.19 1.44 1.47 -1.26 -3.36 116.67 107.61 3jx9 s ASP 86 Ca -0.05 -0.60 0.16 0.00 1.18 0.00 0.00 52.55 53.24 3jx9 s ASP 86 Cb 0.15 0.65 0.77 0.00 -0.34 0.00 0.00 42.92 44.15 3jx9 s ASP 86 CO 0.72 -1.19 1.69 0.35 0.68 0.00 0.00 175.17 177.41 3jx9 n THR 87 N -0.40 2.39 0.55 2.11 -2.24 -1.26 -4.36 114.28 111.07 3jx9 n THR 87 Ca -0.06 -1.37 0.11 0.00 -2.27 0.00 0.00 64.05 60.46 3jx9 n THR 87 Cb 0.61 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.73 0.29 -1.72 -0.78 1.02 -1.26 -4.87 120.64 114.05 3jx9 n GLU 88 Ca 0.27 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 3jx9 n GLU 88 Cb 1.06 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.93 3jx9 n GLU 88 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jx9 n ARG 89 N -1.87 2.66 0.13 3.49 1.74 -1.26 -4.90 116.66 116.66 3jx9 n ARG 89 Ca 0.01 0.95 0.02 0.00 -0.77 0.00 0.00 57.85 58.06 3jx9 n ARG 89 Cb 0.44 -2.76 0.36 0.00 -1.02 0.00 0.00 32.46 29.48 3jx9 n ARG 89 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jx9 h SER 90 N 5.75 0.18 -0.55 0.55 4.64 -1.99 -2.37 113.55 119.75 3jx9 h SER 90 Ca -0.45 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 3jx9 h SER 90 Cb 1.22 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 3jx9 h SER 90 CO 0.87 0.41 -0.10 -2.24 -0.87 0.00 0.00 176.83 174.90 3jx9 h ASP 91 N 0.17 1.04 0.26 4.97 2.03 -1.99 -1.28 116.42 121.61 3jx9 h ASP 91 Ca 0.03 -0.35 -0.00 0.00 -0.73 0.00 0.00 57.03 55.98 3jx9 h ASP 91 Cb 0.50 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 3jx9 h ASP 91 CO 0.03 1.15 -0.21 0.25 -1.03 0.00 0.00 179.24 179.43 3jx9 h LEU 92 N 0.92 -0.53 -0.73 0.15 5.85 -1.89 -0.42 115.31 118.65 3jx9 h LEU 92 Ca 0.14 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3jx9 h LEU 92 Cb 0.68 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 3jx9 h LEU 92 CO 0.05 -0.31 0.45 -0.07 -0.34 0.00 0.00 178.44 178.21 3jx9 h LEU 93 N -0.47 0.72 -1.02 2.25 3.38 -1.35 -0.30 115.31 118.51 3jx9 h LEU 93 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jx9 h LEU 93 Cb 0.42 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3jx9 h LEU 93 CO -0.02 0.48 0.55 0.00 0.09 0.00 0.00 178.44 179.55 3jx9 h ALA 94 N 1.33 1.26 -0.37 1.53 0.00 -1.04 -1.26 119.26 120.72 3jx9 h ALA 94 Ca 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3jx9 h ALA 94 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3jx9 h ALA 94 CO -0.14 0.63 -0.03 0.77 0.00 0.00 0.00 179.25 180.49 3jx9 h SER 95 N 1.24 0.66 -0.65 0.00 0.02 -0.03 -2.71 113.55 112.08 3jx9 h SER 95 Ca 0.32 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3jx9 h SER 95 Cb -0.06 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3jx9 h SER 95 CO -0.06 0.83 0.34 -0.07 -1.14 0.00 0.00 176.83 176.72 3jx9 h LEU 96 N 0.48 0.85 -1.12 5.07 3.38 -0.88 -0.35 115.31 122.74 3jx9 h LEU 96 Ca 0.10 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3jx9 h LEU 96 Cb 0.50 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3jx9 h LEU 96 CO 0.02 0.71 0.60 0.00 0.09 0.00 0.00 178.44 179.86 3jx9 h ALA 97 N 1.43 1.41 -0.05 1.53 0.00 -1.10 0.54 119.26 123.02 3jx9 h ALA 97 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3jx9 h ALA 97 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jx9 h ALA 97 CO -0.03 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.71 3jx9 h ARG 98 N 1.16 0.10 -0.89 0.00 3.08 -0.95 -1.00 114.38 115.88 3jx9 h ARG 98 Ca 0.35 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 3jx9 h ARG 98 Cb -0.02 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3jx9 h ARG 98 CO -0.10 0.47 0.54 1.88 -1.07 0.00 0.00 179.97 181.69 3jx9 h TYR 99 N -0.28 1.16 -0.38 3.04 0.05 -0.92 0.90 116.97 120.55 3jx9 h TYR 99 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3jx9 h TYR 99 Cb 0.44 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3jx9 h TYR 99 CO 0.06 0.77 0.21 -0.44 -1.05 0.00 0.00 178.16 177.72 3jx9 h ASP 100 N 1.22 0.46 -0.83 3.88 3.32 -0.84 0.62 116.42 124.25 3jx9 h ASP 100 Ca 0.32 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3jx9 h ASP 100 Cb -0.06 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3jx9 h ASP 100 CO -0.06 0.41 0.54 0.00 -1.72 0.00 0.00 179.24 178.40 3jx9 h ALA 101 N 1.08 1.08 0.00 3.45 0.00 -0.49 -2.53 119.26 121.85 3jx9 h ALA 101 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jx9 h ALA 101 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jx9 h ALA 101 CO -0.02 0.39 0.00 0.91 0.00 0.00 0.00 179.25 180.52 3jx9 n TRP 102 N -4.55 0.00 -2.44 0.00 8.01 0.25 -4.93 117.44 113.78 3jx9 n TRP 102 Ca 0.10 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.12 3jx9 n TRP 102 Cb 0.07 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 28.94 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 -1.43 -0.96 -3.14 -5.99 8.25 0.08 -3.81 115.22 108.22 3jx9 n HIS 103 Ca 0.09 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 3jx9 n HIS 103 Cb 0.31 -3.46 -0.07 0.00 1.12 0.00 0.00 29.99 27.89 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 -2.88 4.95 0.60 1.59 2.01 -0.42 -4.17 115.64 117.33 3jx9 s THR 104 Ca 0.05 0.78 -0.19 0.00 0.31 0.00 0.00 61.69 62.65 3jx9 s THR 104 Cb -0.02 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3jx9 s THR 104 CO 0.07 -0.14 1.20 -2.84 -0.69 0.00 0.00 174.62 172.22 3jx9 s PRO 105 N 2.56 2.96 0.01 4.92 0.02 -1.26 -4.59 135.00 139.62 3jx9 s PRO 105 Ca 0.24 1.80 0.02 0.00 0.02 0.00 0.00 61.00 63.07 3jx9 s PRO 105 Cb -0.15 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 3jx9 s PRO 105 CO 0.12 -1.21 -0.06 1.52 -0.33 0.00 0.00 177.00 177.04 3jx9 s TYR 106 N -1.65 0.54 -0.24 6.54 -0.85 -1.26 -1.46 117.35 118.97 3jx9 s TYR 106 Ca 0.77 -0.22 -0.10 0.00 -0.52 0.00 0.00 57.07 56.99 3jx9 s TYR 106 Cb -0.30 -0.34 -0.05 0.00 0.38 0.00 0.00 41.96 41.66 3jx9 s TYR 106 CO 0.33 -0.03 0.15 0.45 -1.52 0.00 0.00 175.55 174.93 3jx9 s SER 107 N -0.60 6.01 -0.25 -0.18 0.15 0.20 -3.49 113.70 115.54 3jx9 s SER 107 Ca -0.02 0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.64 3jx9 s SER 107 Cb -0.05 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 3jx9 s SER 107 CO -0.00 0.07 0.09 -0.63 1.20 0.00 0.00 173.24 173.96 3jx9 s ILE 108 N 1.05 4.45 -0.29 6.45 1.01 -1.23 -0.62 121.20 132.02 3jx9 s ILE 108 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 3jx9 s ILE 108 Cb -0.14 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3jx9 s ILE 108 CO 0.04 0.33 0.14 -0.63 0.00 0.00 0.00 174.94 174.83 3jx9 s ILE 109 N 1.61 4.69 -0.06 2.92 1.01 0.98 -1.19 121.20 131.16 3jx9 s ILE 109 Ca 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3jx9 s ILE 109 Cb -0.15 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3jx9 s ILE 109 CO 0.05 0.15 -0.11 0.28 0.00 0.00 0.00 174.94 175.31 3jx9 s THR 110 N 1.64 3.37 0.31 2.92 -1.32 -0.47 -1.13 115.64 120.96 3jx9 s THR 110 Ca 0.05 -0.61 0.37 0.00 -1.21 0.00 0.00 61.69 60.29 3jx9 s THR 110 Cb -0.16 -2.35 0.41 0.00 -1.51 0.00 0.00 72.50 68.88 3jx9 s THR 110 CO 0.07 0.59 2.12 -0.07 -2.21 0.00 0.00 174.62 175.12 3jx9 h LEU 111 N 5.28 0.00 0.00 9.08 3.38 -1.38 0.18 115.31 131.85 3jx9 h LEU 111 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3jx9 h LEU 111 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3jx9 h LEU 111 CO 0.51 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.66 3jx9 n GLY 112 N -0.38 1.20 4.00 0.83 0.00 -1.21 0.02 105.19 109.65 3jx9 n GLY 112 Ca -0.01 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 43.99 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 5.08 0.19 1.61 -1.08 -1.26 -1.54 116.67 118.67 3jx9 s ASP 113 Ca 0.00 -0.43 -0.32 0.00 -0.52 0.00 0.00 52.55 51.28 3jx9 s ASP 113 Cb 0.00 -0.28 -0.12 0.00 -1.46 0.00 0.00 42.92 41.06 3jx9 s ASP 113 CO 0.00 -1.29 1.74 0.52 0.52 0.00 0.00 175.17 176.66 3jx9 n VAL 114 N -2.32 0.07 -4.27 1.11 0.31 -1.26 -4.93 118.33 107.03 3jx9 n VAL 114 Ca 0.12 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.29 3jx9 n VAL 114 Cb 0.60 -1.99 -0.10 0.00 -0.91 0.00 0.00 33.84 31.44 3jx9 n VAL 114 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3jx9 s THR 115 N 1.44 0.60 0.19 2.52 -4.23 -1.26 -5.03 115.64 109.87 3jx9 s THR 115 Ca 0.77 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 3jx9 s THR 115 Cb -0.51 -2.36 0.11 0.00 1.34 0.00 0.00 72.50 71.07 3jx9 s THR 115 CO 0.33 -0.25 1.75 -0.33 -0.54 0.00 0.00 174.62 175.59 3jx9 h GLU 116 N 2.55 0.36 -0.70 3.99 5.08 -1.99 -2.04 114.58 121.83 3jx9 h GLU 116 Ca -0.37 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3jx9 h GLU 116 Cb 1.23 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3jx9 h GLU 116 CO 0.61 0.24 0.43 1.15 -1.00 0.00 0.00 179.01 180.45 3jx9 h THR 117 N 0.37 1.07 -0.97 1.13 2.02 -1.97 -2.26 112.91 112.30 3jx9 h THR 117 Ca 0.26 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.18 3jx9 h THR 117 Cb 0.29 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 3jx9 h THR 117 CO -0.26 0.15 0.64 0.25 0.37 0.00 0.00 175.52 176.67 3jx9 h LEU 118 N 0.83 1.07 0.00 2.58 5.85 -1.80 -1.67 115.31 122.18 3jx9 h LEU 118 Ca 0.29 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3jx9 h LEU 118 Cb 0.06 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3jx9 h LEU 118 CO -0.12 0.75 0.00 -0.62 -0.34 0.00 0.00 178.44 178.10 3jx9 n GLU 119 N -4.45 0.17 0.26 1.25 1.02 -0.81 -1.23 120.64 116.86 3jx9 n GLU 119 Ca 0.13 0.17 0.14 0.00 -0.02 0.00 0.00 57.16 57.58 3jx9 n GLU 119 Cb 0.07 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 30.68 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 -6.61 3.49 3.08 -1.16 -3.44 114.38 109.75 3jx9 h ARG 120 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3jx9 h ARG 120 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3jx9 h ARG 120 CO 0.00 0.10 0.39 0.45 -1.07 0.00 0.00 179.97 179.84 3jx9 s SER 121 N -5.92 7.45 0.55 7.04 0.15 -0.36 -4.95 113.70 117.65 3jx9 s SER 121 Ca -0.01 1.89 0.31 0.00 0.70 0.00 0.00 55.95 58.84 3jx9 s SER 121 Cb 0.11 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.37 3jx9 s SER 121 CO 0.57 -0.09 2.08 -0.29 1.20 0.00 0.00 173.24 176.71 3jx9 h ILE 122 N 3.88 0.35 -2.30 6.45 6.09 -1.85 -3.36 117.51 126.77 3jx9 h ILE 122 Ca -0.43 -0.49 -0.58 0.00 -1.37 0.00 0.00 64.86 61.98 3jx9 h ILE 122 Cb 1.21 1.36 -0.38 0.00 0.47 0.00 0.00 36.82 39.48 3jx9 h ILE 122 CO 0.72 0.08 -0.98 0.00 -3.07 0.00 0.00 178.15 174.90 3jx9 n ALA 123 N -2.20 2.74 -2.33 0.18 0.00 -1.26 -5.02 120.51 112.63 3jx9 n ALA 123 Ca -0.01 -3.09 -0.28 0.00 0.00 0.00 0.00 53.44 50.05 3jx9 n ALA 123 Cb 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.04 3.61 -0.09 0.00 0.04 -1.26 -3.50 135.00 133.76 3jx9 s PRO 124 Ca 0.33 0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 3jx9 s PRO 124 Cb 0.05 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 32.19 3jx9 s PRO 124 CO -0.19 -0.07 0.18 -1.17 0.04 0.00 0.00 177.00 175.79 3jx9 s LEU 125 N -4.31 -0.07 -0.31 -3.56 2.96 -0.33 -4.93 118.68 108.13 3jx9 s LEU 125 Ca 0.47 0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 54.64 3jx9 s LEU 125 Cb -0.10 0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.93 3jx9 s LEU 125 CO 0.38 -0.24 0.26 0.00 -1.32 0.00 0.00 176.35 175.44 3jx9 s ALA 126 N 2.24 3.52 -0.30 5.97 0.00 -1.26 -1.37 121.76 130.56 3jx9 s ALA 126 Ca 0.02 -1.16 0.21 0.00 0.00 0.00 0.00 51.96 51.03 3jx9 s ALA 126 Cb -0.12 -2.64 0.14 0.00 0.00 0.00 0.00 23.12 20.51 3jx9 s ALA 126 CO -0.06 -0.79 1.34 -0.07 0.00 0.00 0.00 175.76 176.18 3jx9 h LEU 127 N 8.51 0.00 -3.20 0.00 3.38 -0.51 -3.48 115.31 120.02 3jx9 h LEU 127 Ca -0.32 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.10 3jx9 h LEU 127 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3jx9 h LEU 127 CO 0.62 0.15 -0.97 0.29 0.09 0.00 0.00 178.44 178.61 3jx9 n LYS 128 N -2.98 -1.00 -2.82 1.13 5.02 -0.59 -4.89 118.16 112.03 3jx9 n LYS 128 Ca 0.01 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3jx9 n LYS 128 Cb 0.60 -3.35 0.03 0.00 -0.02 0.00 0.00 35.03 32.29 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 -4.68 0.02 -0.64 2.13 7.35 0.10 -4.92 117.46 116.83 3jx9 n PHE 129 Ca -0.17 -2.91 0.06 0.00 -0.76 0.00 0.00 57.45 53.67 3jx9 n PHE 129 Cb 0.61 0.06 0.09 0.00 0.35 0.00 0.00 39.48 40.58 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 -0.00 2.23 -4.17 -2.13 5.68 -1.21 -4.83 116.55 112.11 3jx9 n ASP 130 Ca 0.12 -2.65 -0.19 0.00 -0.50 0.00 0.00 54.79 51.58 3jx9 n ASP 130 Cb 0.77 -0.26 -0.12 0.00 -1.14 0.00 0.00 41.12 40.37 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 -2.11 0.83 0.89 0.11 -0.14 -1.26 -5.09 119.74 112.97 3jx9 s LYS 131 Ca 0.19 -0.96 -0.11 0.00 -1.36 0.00 0.00 55.97 53.73 3jx9 s LYS 131 Cb 0.17 -0.85 0.11 0.00 -1.68 0.00 0.00 37.83 35.58 3jx9 s LYS 131 CO 0.02 0.19 1.00 0.41 -0.76 0.00 0.00 175.35 176.21 3jx9 n GLY 132 N 1.28 -0.64 0.03 -3.33 0.00 -1.26 -4.83 105.19 96.44 3jx9 n GLY 132 Ca -0.21 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.26 3jx9 n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jx9 n LEU 133 N -3.35 0.75 -4.04 0.99 4.77 -0.17 -4.60 117.00 111.34 3jx9 n LEU 133 Ca 0.11 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 3jx9 n LEU 133 Cb 0.52 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 3jx9 n LEU 133 CO 0.49 0.18 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.66 3jx9 s LEU 134 N -2.96 4.73 0.44 2.23 1.43 -0.12 -4.98 118.68 119.46 3jx9 s LEU 134 Ca 0.11 -2.06 -0.24 0.00 -1.03 0.00 0.00 54.13 50.90 3jx9 s LEU 134 Cb 0.17 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 3jx9 s LEU 134 CO 0.75 -0.39 1.28 -2.84 0.23 0.00 0.00 176.35 175.38 3jx9 s PRO 135 N 0.96 3.76 0.33 1.29 0.02 -1.26 -1.45 135.00 138.65 3jx9 s PRO 135 Ca 0.09 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.28 3jx9 s PRO 135 Cb -0.20 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 3jx9 s PRO 135 CO -0.07 -0.64 0.14 0.00 -0.33 0.00 0.00 177.00 176.10 3jx9 s ALA 136 N -1.33 3.49 0.34 -1.55 0.00 0.89 -4.93 121.76 118.67 3jx9 s ALA 136 Ca 0.61 -1.78 0.09 0.00 0.00 0.00 0.00 51.96 50.88 3jx9 s ALA 136 Cb -0.36 -0.79 0.81 0.00 0.00 0.00 0.00 23.12 22.78 3jx9 s ALA 136 CO 0.45 0.07 1.83 0.93 0.00 0.00 0.00 175.76 179.04 3jx9 h GLU 137 N 1.56 0.68 -0.67 0.00 5.08 -1.97 -1.11 114.58 118.15 3jx9 h GLU 137 Ca -0.44 -0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.07 3jx9 h GLU 137 Cb 1.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3jx9 h GLU 137 CO 0.62 0.45 0.73 -0.44 -1.00 0.00 0.00 179.01 179.37 3jx9 h ASP 138 N 0.70 0.00 0.00 1.42 3.32 -2.02 -3.44 116.42 116.39 3jx9 h ASP 138 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3jx9 h ASP 138 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3jx9 h ASP 138 CO -0.26 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.87 3jx9 n GLY 139 N -1.58 1.04 3.93 2.75 0.00 -0.42 -5.06 105.19 105.85 3jx9 n GLY 139 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.05 5.62 -0.01 1.61 1.04 -1.25 -4.83 113.70 112.81 3jx9 s SER 140 Ca 0.00 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.07 3jx9 s SER 140 Cb 0.00 -1.65 -0.00 0.00 0.10 0.00 0.00 66.02 64.47 3jx9 s SER 140 CO 0.00 -1.00 -0.10 -0.13 0.98 0.00 0.00 173.24 172.99 3jx9 s ARG 141 N -4.91 0.89 0.32 4.02 0.52 -1.26 -0.08 118.95 118.45 3jx9 s ARG 141 Ca 0.53 -0.35 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 3jx9 s ARG 141 Cb -0.10 -0.84 -0.06 0.00 0.52 0.00 0.00 34.95 34.46 3jx9 s ARG 141 CO 0.44 0.18 0.05 -1.01 0.02 0.00 0.00 175.30 174.98 3jx9 s HIS 142 N -0.08 1.98 -0.07 -0.53 3.76 -0.53 -4.13 115.29 115.69 3jx9 s HIS 142 Ca 0.01 -0.94 -0.01 0.00 -0.15 0.00 0.00 55.06 53.97 3jx9 s HIS 142 Cb -0.06 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.35 3jx9 s HIS 142 CO -0.00 0.02 0.08 0.41 -0.85 0.00 0.00 174.74 174.40 3jx9 n GLY 143 N -0.69 -0.53 3.05 -2.22 0.00 -1.26 -0.94 105.19 102.60 3jx9 n GLY 143 Ca -0.02 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.85 4.92 -1.31 0.99 2.96 -1.26 -1.00 118.68 122.12 3jx9 s LEU 144 Ca 0.01 -2.13 -0.09 0.00 -0.22 0.00 0.00 54.13 51.70 3jx9 s LEU 144 Cb -0.00 -1.69 -0.09 0.00 0.50 0.00 0.00 46.19 44.90 3jx9 s LEU 144 CO 0.09 -0.43 3.01 -0.81 -1.32 0.00 0.00 176.35 176.88 3jx9 n PRO 145 N 4.34 3.50 -0.02 0.98 -0.05 -1.26 -4.64 135.00 137.85 3jx9 n PRO 145 Ca 0.02 -2.15 -0.12 0.00 -0.05 0.00 0.00 63.50 61.20 3jx9 n PRO 145 Cb 0.42 -2.64 -0.07 0.00 -0.05 0.00 0.00 33.50 31.16 3jx9 n PRO 145 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3jx9 h SER 146 N 4.59 0.14 -0.64 3.54 4.64 -1.95 -1.92 113.55 121.96 3jx9 h SER 146 Ca 0.74 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 3jx9 h SER 146 Cb 0.49 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3jx9 h SER 146 CO 1.48 0.38 0.30 0.25 -0.87 0.00 0.00 176.83 178.37 3jx9 h LEU 147 N -0.10 0.84 -0.74 5.97 5.85 -1.94 -1.56 115.31 123.63 3jx9 h LEU 147 Ca 0.03 -0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.75 3jx9 h LEU 147 Cb 0.30 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 3jx9 h LEU 147 CO 0.00 0.74 0.28 0.00 -0.34 0.00 0.00 178.44 179.13 3jx9 h ALA 148 N 1.13 1.02 -0.24 1.25 0.00 -1.90 0.21 119.26 120.73 3jx9 h ALA 148 Ca 0.22 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3jx9 h ALA 148 Cb 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3jx9 h ALA 148 CO -0.03 -0.21 0.03 1.25 0.00 0.00 0.00 179.25 180.29 3jx9 h LEU 149 N 0.43 0.39 -0.58 0.00 5.85 -0.94 -0.07 115.31 120.39 3jx9 h LEU 149 Ca 0.40 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3jx9 h LEU 149 Cb 0.60 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3jx9 h LEU 149 CO -0.40 0.56 0.29 1.23 -0.34 0.00 0.00 178.44 179.78 3jx9 h GLY 150 N 0.20 0.83 1.04 3.75 0.00 -0.88 -0.58 103.07 107.43 3jx9 h GLY 150 Ca 0.07 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3jx9 h GLY 150 CO 0.01 0.10 -0.13 0.00 0.00 0.00 0.00 176.54 176.52 3jx9 h ALA 151 N 1.33 0.64 -0.37 3.60 0.00 -0.48 0.29 119.26 124.28 3jx9 h ALA 151 Ca 0.27 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3jx9 h ALA 151 Cb 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3jx9 h ALA 151 CO -0.20 0.56 0.20 0.35 0.00 0.00 0.00 179.25 180.16 3jx9 h PHE 152 N 0.75 0.37 -0.59 0.00 3.57 -0.69 -0.77 116.94 119.58 3jx9 h PHE 152 Ca 0.12 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3jx9 h PHE 152 Cb 0.68 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3jx9 h PHE 152 CO 0.05 0.21 0.14 -0.07 -2.23 0.00 0.00 178.31 176.41 3jx9 h LEU 153 N 0.41 0.86 -0.62 0.59 3.38 -0.83 -1.56 115.31 117.54 3jx9 h LEU 153 Ca 0.15 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3jx9 h LEU 153 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3jx9 h LEU 153 CO -0.09 0.84 -0.28 0.25 0.09 0.00 0.00 178.44 179.25 3jx9 h LEU 154 N 0.88 0.81 -0.29 1.67 5.85 -0.59 -0.83 115.31 122.81 3jx9 h LEU 154 Ca 0.19 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3jx9 h LEU 154 Cb 0.32 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3jx9 h LEU 154 CO -0.00 1.04 0.04 0.74 -0.34 0.00 0.00 178.44 179.92 3jx9 h THR 155 N 0.67 0.84 -0.11 1.05 2.02 -0.89 0.96 112.91 117.46 3jx9 h THR 155 Ca 0.08 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3jx9 h THR 155 Cb 0.81 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3jx9 h THR 155 CO 0.07 0.03 -0.04 -0.74 0.37 0.00 0.00 175.52 175.21 3jx9 h HIS 156 N 0.14 -0.08 -0.07 3.16 -0.00 -0.97 -0.02 115.15 117.31 3jx9 h HIS 156 Ca 0.13 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3jx9 h HIS 156 Cb 0.15 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 3jx9 h HIS 156 CO -0.18 -0.06 0.04 0.82 -0.00 0.00 0.00 177.93 178.55 3jx9 h ILE 157 N -0.02 1.08 -0.50 6.26 2.04 -0.89 0.63 117.51 126.11 3jx9 h ILE 157 Ca 0.06 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3jx9 h ILE 157 Cb 0.10 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3jx9 h ILE 157 CO -0.12 0.07 0.21 -0.07 0.00 0.00 0.00 178.15 178.24 3jx9 h LEU 158 N 0.03 0.27 -0.38 1.44 3.38 -0.72 -0.32 115.31 119.01 3jx9 h LEU 158 Ca 0.02 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3jx9 h LEU 158 Cb 0.07 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3jx9 h LEU 158 CO -0.00 0.18 -0.15 0.74 0.09 0.00 0.00 178.44 179.30 3jx9 h THR 159 N 0.42 1.28 -0.64 0.22 2.02 -0.71 -1.18 112.91 114.32 3jx9 h THR 159 Ca 0.23 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3jx9 h THR 159 Cb 0.21 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3jx9 h THR 159 CO -0.21 0.42 0.12 -0.61 0.37 0.00 0.00 175.52 175.61 3jx9 h GLN 160 N 0.56 1.05 -0.72 6.66 4.15 -0.75 -0.74 115.11 125.31 3jx9 h GLN 160 Ca 0.09 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 3jx9 h GLN 160 Cb 0.69 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3jx9 h GLN 160 CO 0.05 0.97 0.30 -0.07 -1.93 0.00 0.00 178.83 178.15 3jx9 h LEU 161 N 0.97 0.97 -0.30 -2.39 3.38 -0.89 -2.99 115.31 114.07 3jx9 h LEU 161 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3jx9 h LEU 161 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3jx9 h LEU 161 CO 0.01 0.85 -0.13 -0.61 0.09 0.00 0.00 178.44 178.66 3jx9 h GLN 162 N 1.04 0.61 -0.23 1.13 5.75 -0.98 -0.54 115.11 121.89 3jx9 h GLN 162 Ca 0.24 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3jx9 h GLN 162 Cb 0.18 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3jx9 h GLN 162 CO -0.02 0.83 0.00 -1.91 -2.65 0.00 0.00 178.83 175.08 3jx9 n GLU 163 N -4.42 0.00 0.00 1.69 2.13 -0.30 -1.08 120.64 118.66 3jx9 n GLU 163 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3jx9 n GLU 163 Cb 0.36 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.07 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 0.51 0.00 -0.08 6.31 -1.04 -0.21 -1.85 114.28 117.92 3jx9 n THR 165 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3jx9 n THR 165 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 0.56 -1.04 -2.82 5.08 -1.36 -2.89 114.58 112.11 3jx9 h GLU 166 Ca 0.00 -0.30 0.27 0.00 -1.00 0.00 0.00 59.36 58.32 3jx9 h GLU 166 Cb 0.00 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 3jx9 h GLU 166 CO 0.00 0.89 0.67 0.93 -1.00 0.00 0.00 179.01 180.50 3jx9 h GLU 167 N 0.26 0.38 0.00 2.33 4.39 -1.63 -3.55 114.58 116.77 3jx9 h GLU 167 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3jx9 h GLU 167 Cb 0.80 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3jx9 h GLU 167 CO 0.06 0.25 0.00 0.91 -1.16 0.00 0.00 179.01 179.07