#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdj s LEU 32 N 0.00 4.41 0.79 -2.67 1.43 -1.26 -5.02 118.68 116.36 3kdj s LEU 32 Ca 0.00 2.65 -0.10 0.00 -1.03 0.00 0.00 54.13 55.64 3kdj s LEU 32 Cb 0.00 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.65 3kdj s LEU 32 CO 0.00 -0.60 1.10 0.42 0.23 0.00 0.00 176.35 177.50 3kdj s THR 33 N -0.54 3.16 0.24 5.49 -4.23 -1.26 -4.82 115.64 113.68 3kdj s THR 33 Ca 0.54 0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 61.36 3kdj s THR 33 Cb -0.40 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 70.87 3kdj s THR 33 CO 0.47 -0.49 1.91 1.56 -0.54 0.00 0.00 174.62 177.53 3kdj h GLN 34 N -1.21 1.21 -0.34 3.99 1.08 -1.98 0.80 115.11 118.64 3kdj h GLN 34 Ca -0.43 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 56.76 3kdj h GLN 34 Cb 1.24 -0.27 -0.07 0.00 -0.05 0.00 0.00 27.48 28.33 3kdj h GLN 34 CO 0.50 0.80 -0.10 0.22 -0.95 0.00 0.00 178.83 179.30 3kdj h ASP 35 N 1.24 -0.37 -0.43 1.46 1.82 -2.00 0.15 116.42 118.29 3kdj h ASP 35 Ca 0.36 0.11 -0.10 0.00 -0.39 0.00 0.00 57.03 57.00 3kdj h ASP 35 Cb -0.09 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 3kdj h ASP 35 CO -0.09 -0.13 -0.13 -0.33 -1.61 0.00 0.00 179.24 176.94 3kdj h GLU 36 N -0.02 0.85 -0.44 0.28 5.08 -1.76 -3.02 114.58 115.55 3kdj h GLU 36 Ca 0.17 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3kdj h GLU 36 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3kdj h GLU 36 CO -0.37 0.98 0.15 0.35 -1.00 0.00 0.00 179.01 179.12 3kdj h PHE 37 N 0.68 0.69 -0.64 4.33 3.57 -0.35 -2.47 116.94 122.74 3kdj h PHE 37 Ca 0.11 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kdj h PHE 37 Cb 0.68 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3kdj h PHE 37 CO 0.05 0.61 0.37 1.79 -2.23 0.00 0.00 178.31 178.90 3kdj h THR 38 N 0.56 1.19 0.00 4.41 1.35 -0.99 -1.15 112.91 118.28 3kdj h THR 38 Ca 0.14 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3kdj h THR 38 Cb 0.23 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 3kdj h THR 38 CO -0.01 0.21 0.00 1.56 -0.25 0.00 0.00 175.52 177.03 3kdj h GLN 39 N 0.89 0.00 -0.05 4.72 4.20 -1.32 -3.11 115.11 120.44 3kdj h GLN 39 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3kdj h GLN 39 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kdj h GLN 39 CO -0.04 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.40 3kdj n LEU 40 N -2.55 2.53 -0.24 1.46 4.77 -0.47 -4.63 117.00 117.88 3kdj n LEU 40 Ca 0.02 -1.05 -0.06 0.00 -0.03 0.00 0.00 56.01 54.89 3kdj n LEU 40 Cb 0.29 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3kdj n LEU 40 CO 0.24 0.46 1.07 0.77 -1.33 0.00 0.00 177.39 178.60 3kdj h SER 41 N 3.49 0.85 -0.35 -1.43 4.64 -1.40 -0.99 113.55 118.36 3kdj h SER 41 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3kdj h SER 41 Cb 0.75 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3kdj h SER 41 CO 0.00 0.72 0.22 -0.61 -0.87 0.00 0.00 176.83 176.29 3kdj h GLN 42 N 0.91 0.47 -0.92 4.77 4.15 -1.83 -2.07 115.11 120.59 3kdj h GLN 42 Ca 0.23 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.65 3kdj h GLN 42 Cb 0.07 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 3kdj h GLN 42 CO -0.03 0.33 0.60 0.77 -1.93 0.00 0.00 178.83 178.56 3kdj h SER 43 N 0.47 1.00 -0.57 -0.69 0.02 -1.73 -0.85 113.55 111.19 3kdj h SER 43 Ca 0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3kdj h SER 43 Cb -0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3kdj h SER 43 CO -0.03 0.69 0.31 0.40 -1.14 0.00 0.00 176.83 177.06 3kdj h ILE 44 N 1.17 1.19 -0.41 3.27 2.04 -0.98 -1.12 117.51 122.67 3kdj h ILE 44 Ca 0.36 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3kdj h ILE 44 Cb -0.01 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3kdj h ILE 44 CO -0.12 0.21 0.18 0.00 0.00 0.00 0.00 178.15 178.42 3kdj h ALA 45 N 1.14 0.54 -0.11 1.87 0.00 -0.88 -0.71 119.26 121.10 3kdj h ALA 45 Ca 0.20 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3kdj h ALA 45 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kdj h ALA 45 CO -0.03 0.12 -0.66 1.49 0.00 0.00 0.00 179.25 180.18 3kdj h GLU 46 N 0.53 0.45 0.00 0.00 4.81 -0.91 -3.37 114.58 116.08 3kdj h GLU 46 Ca 0.14 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3kdj h GLU 46 Cb 0.16 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kdj h GLU 46 CO -0.01 0.95 -0.93 1.19 -0.73 0.00 0.00 179.01 179.48 3kdj n PHE 47 N -3.89 0.00 -1.12 0.92 3.72 -0.45 -4.83 117.46 111.82 3kdj n PHE 47 Ca -0.04 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 3kdj n PHE 47 Cb 0.66 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.36 3kdj n PHE 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kdj n HIS 48 N -1.62 0.05 -4.98 1.38 8.25 -0.31 -4.85 115.22 113.14 3kdj n HIS 48 Ca 0.00 -1.05 -0.32 0.00 -0.26 0.00 0.00 57.72 56.09 3kdj n HIS 48 Cb 0.20 -0.17 -0.16 0.00 1.12 0.00 0.00 29.99 30.99 3kdj n HIS 48 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kdj s THR 49 N -2.91 2.57 -0.00 1.59 2.01 -0.95 -4.91 115.64 113.03 3kdj s THR 49 Ca 0.33 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.57 3kdj s THR 49 Cb 0.29 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 3kdj s THR 49 CO 0.02 0.54 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.95 3kdj s TYR 50 N 0.36 2.10 -0.61 4.92 2.02 -1.26 -5.00 117.35 119.87 3kdj s TYR 50 Ca -0.15 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 55.90 3kdj s TYR 50 Cb -0.17 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3kdj s TYR 50 CO 0.07 0.00 1.09 -0.65 -1.57 0.00 0.00 175.55 174.49 3kdj s GLN 51 N -0.72 3.33 0.00 -0.62 -0.21 -1.26 -4.93 119.66 115.26 3kdj s GLN 51 Ca 0.09 -0.17 -0.07 0.00 0.02 0.00 0.00 55.36 55.24 3kdj s GLN 51 Cb -0.09 -4.09 -0.04 0.00 1.00 0.00 0.00 33.01 29.80 3kdj s GLN 51 CO -0.00 -1.72 0.85 -0.07 -2.12 0.00 0.00 175.29 172.23 3kdj h LEU 52 N 11.71 -0.20 0.00 2.90 3.38 -1.97 -3.50 115.31 127.63 3kdj h LEU 52 Ca -0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kdj h LEU 52 Cb 1.06 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kdj h LEU 52 CO 1.17 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 180.19 3kdj n GLY 53 N -0.39 -0.99 3.71 0.83 0.00 -1.26 -4.71 105.19 102.38 3kdj n GLY 53 Ca -0.03 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3kdj n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kdj s ASN 54 N -2.74 7.13 0.00 1.61 2.47 -1.26 -3.78 114.94 118.37 3kdj s ASN 54 Ca 0.00 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.22 3kdj s ASN 54 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 3kdj s ASN 54 CO 0.00 -0.44 0.00 0.61 -3.72 0.00 0.00 177.10 173.55 3kdj n GLY 55 N 3.17 0.45 3.33 1.21 0.00 -1.26 -5.04 105.19 107.06 3kdj n GLY 55 Ca 0.09 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 3kdj n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdj s ARG 56 N -1.79 1.32 0.24 1.61 0.52 -1.25 -1.13 118.95 118.48 3kdj s ARG 56 Ca 0.00 -1.64 -0.09 0.00 -0.52 0.00 0.00 55.73 53.47 3kdj s ARG 56 Cb 0.00 -0.77 -0.01 0.00 0.52 0.00 0.00 34.95 34.68 3kdj s ARG 56 CO 0.00 -0.01 0.38 0.00 0.02 0.00 0.00 175.30 175.69 3kdj s SER 58 N -3.07 -0.65 0.12 0.00 0.15 -1.26 -1.34 113.70 107.65 3kdj s SER 58 Ca 0.27 1.04 0.02 0.00 0.70 0.00 0.00 55.95 57.99 3kdj s SER 58 Cb 0.01 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 3kdj s SER 58 CO 0.10 -0.37 -0.06 -0.44 1.20 0.00 0.00 173.24 173.67 3kdj s SER 59 N -0.28 1.30 -0.10 5.45 0.01 -1.18 -5.00 113.70 113.90 3kdj s SER 59 Ca -0.05 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.19 3kdj s SER 59 Cb -0.03 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.29 3kdj s SER 59 CO 0.04 -0.45 -0.10 -0.22 0.41 0.00 0.00 173.24 172.93 3kdj s LEU 60 N -3.09 1.37 0.13 2.44 2.96 -1.26 -2.43 118.68 118.80 3kdj s LEU 60 Ca 0.14 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3kdj s LEU 60 Cb 0.05 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 3kdj s LEU 60 CO -0.02 -0.06 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.99 3kdj s LEU 61 N 1.33 2.62 0.05 -0.68 1.02 0.12 -4.99 118.68 118.15 3kdj s LEU 61 Ca -0.02 -0.62 0.04 0.00 0.02 0.00 0.00 54.13 53.56 3kdj s LEU 61 Cb -0.14 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 3kdj s LEU 61 CO -0.04 0.17 -0.12 0.00 0.02 0.00 0.00 176.35 176.38 3kdj s ALA 62 N -1.19 0.97 -0.04 4.21 0.00 -1.26 -0.89 121.76 123.57 3kdj s ALA 62 Ca 0.18 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 3kdj s ALA 62 Cb -0.10 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3kdj s ALA 62 CO 0.10 0.14 0.04 -1.14 0.00 0.00 0.00 175.76 174.90 3kdj s GLN 63 N -1.36 0.05 0.17 0.00 2.00 -0.27 -4.99 119.66 115.26 3kdj s GLN 63 Ca -0.02 0.29 -0.27 0.00 -2.00 0.00 0.00 55.36 53.36 3kdj s GLN 63 Cb -0.09 -0.54 -0.08 0.00 0.80 0.00 0.00 33.01 33.11 3kdj s GLN 63 CO 0.01 -0.29 0.82 0.50 -0.50 0.00 0.00 175.29 175.84 3kdj s ARG 64 N 1.91 4.64 -0.06 1.67 3.52 -1.26 -0.91 118.95 128.45 3kdj s ARG 64 Ca 0.02 1.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.87 3kdj s ARG 64 Cb -0.12 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3kdj s ARG 64 CO -0.03 0.52 -0.06 0.42 -0.81 0.00 0.00 175.30 175.33 3kdj s ILE 65 N -1.00 0.74 -1.30 4.11 1.01 0.29 -4.96 121.20 120.07 3kdj s ILE 65 Ca 0.38 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 3kdj s ILE 65 Cb -0.24 -0.75 0.15 0.00 0.01 0.00 0.00 42.46 41.63 3kdj s ILE 65 CO 0.28 0.28 1.88 1.41 0.00 0.00 0.00 174.94 178.79 3kdj n HIS 66 N 4.26 3.26 -3.46 3.97 8.25 -1.26 -1.22 115.22 129.02 3kdj n HIS 66 Ca -0.20 -2.87 -0.11 0.00 -0.26 0.00 0.00 57.72 54.27 3kdj n HIS 66 Cb 0.51 -2.08 -0.02 0.00 1.12 0.00 0.00 29.99 29.52 3kdj n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kdj s ALA 67 N 1.00 -1.69 0.47 -1.41 0.00 -1.26 -4.73 121.76 114.14 3kdj s ALA 67 Ca 0.41 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.89 3kdj s ALA 67 Cb 0.09 0.62 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 3kdj s ALA 67 CO -0.01 -0.70 1.23 -2.14 0.00 0.00 0.00 175.76 174.15 3kdj s PRO 68 N -3.26 3.67 0.42 0.00 0.02 -1.26 -3.01 135.00 131.58 3kdj s PRO 68 Ca 0.01 1.95 0.09 0.00 0.02 0.00 0.00 61.00 63.07 3kdj s PRO 68 Cb -0.01 -2.45 0.89 0.00 0.02 0.00 0.00 34.50 32.95 3kdj s PRO 68 CO -0.09 -0.67 2.00 -1.00 -0.33 0.00 0.00 177.00 176.91 3kdj h PRO 69 N 2.06 0.32 -0.74 5.54 0.13 -1.89 -1.26 132.00 136.16 3kdj h PRO 69 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3kdj h PRO 69 Cb 1.26 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3kdj h PRO 69 CO 0.60 0.31 0.46 1.05 -0.23 0.00 0.00 178.00 180.20 3kdj h GLU 70 N 0.32 0.99 0.05 0.86 9.09 -1.98 0.69 114.58 124.59 3kdj h GLU 70 Ca 0.08 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kdj h GLU 70 Cb 0.15 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 3kdj h GLU 70 CO -0.00 0.67 -0.02 1.15 0.05 0.00 0.00 179.01 180.86 3kdj h THR 71 N 1.01 1.18 -0.22 -1.06 2.02 -1.63 -1.42 112.91 112.80 3kdj h THR 71 Ca 0.27 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.71 3kdj h THR 71 Cb -0.07 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3kdj h THR 71 CO -0.05 0.19 0.12 0.58 0.37 0.00 0.00 175.52 176.73 3kdj h VAL 72 N -0.39 1.02 -0.70 3.16 2.07 -1.11 -2.62 116.25 117.67 3kdj h VAL 72 Ca -0.01 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3kdj h VAL 72 Cb 0.36 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3kdj h VAL 72 CO 0.01 0.05 0.46 -0.25 0.02 0.00 0.00 177.57 177.86 3kdj h TRP 73 N 0.25 0.89 -0.05 1.57 2.91 0.39 -1.77 115.95 120.14 3kdj h TRP 73 Ca 0.09 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.14 3kdj h TRP 73 Cb 0.00 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.35 3kdj h TRP 73 CO -0.08 0.56 0.04 0.66 -1.03 0.00 0.00 178.44 178.59 3kdj h SER 74 N 0.95 0.00 0.06 2.65 4.64 -0.86 -1.23 113.55 119.77 3kdj h SER 74 Ca 0.26 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.30 3kdj h SER 74 Cb -0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3kdj h SER 74 CO -0.05 0.00 -1.48 0.58 -0.87 0.00 0.00 176.83 175.00 3kdj h VAL 75 N 0.00 0.88 -0.48 0.95 2.07 -1.38 -3.37 116.25 114.92 3kdj h VAL 75 Ca 0.02 -2.28 0.04 0.00 0.82 0.00 0.00 66.70 65.30 3kdj h VAL 75 Cb 0.10 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3kdj h VAL 75 CO -0.00 0.59 0.32 0.58 0.02 0.00 0.00 177.57 179.07 3kdj h VAL 76 N -0.52 1.03 0.00 2.57 2.07 -1.00 -2.30 116.25 118.10 3kdj h VAL 76 Ca -0.35 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kdj h VAL 76 Cb 1.62 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3kdj h VAL 76 CO -0.05 0.09 0.00 -2.11 0.02 0.00 0.00 177.57 175.52 3kdj n ARG 77 N -4.48 0.05 -2.15 1.57 1.85 -0.50 -4.60 116.66 108.41 3kdj n ARG 77 Ca 0.06 0.08 -0.40 0.00 -1.00 0.00 0.00 57.85 56.58 3kdj n ARG 77 Cb 0.17 -1.57 -0.02 0.00 -1.05 0.00 0.00 32.46 30.00 3kdj n ARG 77 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kdj n ARG 78 N -1.66 2.69 0.19 2.89 5.12 -0.87 -4.77 116.66 120.26 3kdj n ARG 78 Ca 0.06 -2.84 0.13 0.00 -1.93 0.00 0.00 57.85 53.27 3kdj n ARG 78 Cb 0.33 -3.43 0.71 0.00 -1.16 0.00 0.00 32.46 28.91 3kdj n ARG 78 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3kdj h PHE 79 N 7.56 0.00 0.00 -1.55 3.57 -1.88 -1.35 116.94 123.29 3kdj h PHE 79 Ca 0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.94 3kdj h PHE 79 Cb 0.81 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3kdj h PHE 79 CO 1.38 0.00 -0.15 -0.40 -2.23 0.00 0.00 178.31 176.92 3kdj n ASP 80 N -4.33 0.60 -3.24 0.41 3.85 -1.26 -4.29 116.55 108.29 3kdj n ASP 80 Ca 0.01 0.42 -0.24 0.00 -0.71 0.00 0.00 54.79 54.27 3kdj n ASP 80 Cb 0.25 -0.49 -0.07 0.00 -1.35 0.00 0.00 41.12 39.46 3kdj n ASP 80 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3kdj n ARG 81 N -2.02 1.45 -0.27 0.11 0.63 -0.51 -4.88 116.66 111.17 3kdj n ARG 81 Ca 0.05 -3.78 0.03 0.00 -0.92 0.00 0.00 57.85 53.23 3kdj n ARG 81 Cb 0.41 -1.65 0.24 0.00 0.45 0.00 0.00 32.46 31.91 3kdj n ARG 81 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3kdj h PRO 82 N 3.85 1.00 0.00 -0.14 0.11 -1.75 -2.88 132.00 132.20 3kdj h PRO 82 Ca 0.12 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3kdj h PRO 82 Cb 0.80 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3kdj h PRO 82 CO 0.60 0.66 0.27 1.96 -0.21 0.00 0.00 178.00 181.28 3kdj h GLN 83 N 1.03 0.00 -0.23 1.05 7.50 -1.87 0.66 115.11 123.25 3kdj h GLN 83 Ca 0.34 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.54 3kdj h GLN 83 Cb 0.07 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.56 3kdj h GLN 83 CO -0.11 0.00 -0.01 0.82 -1.50 0.00 0.00 178.83 178.03 3kdj h ILE 84 N 0.00 0.82 0.00 2.54 2.04 -1.91 -3.33 117.51 117.67 3kdj h ILE 84 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3kdj h ILE 84 Cb 0.53 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3kdj h ILE 84 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.16 3kdj n TYR 85 N -5.16 0.00 -3.20 1.37 0.18 -0.95 -4.92 117.16 104.49 3kdj n TYR 85 Ca -0.02 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.31 3kdj n TYR 85 Cb 0.13 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 3kdj n TYR 85 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kdj s LYS 86 N -0.58 3.42 0.00 -3.48 1.02 0.18 -4.44 119.74 115.87 3kdj s LYS 86 Ca 0.00 -2.00 0.22 0.00 0.02 0.00 0.00 55.97 54.21 3kdj s LYS 86 Cb 0.00 -4.49 0.98 0.00 -0.52 0.00 0.00 37.83 33.80 3kdj s LYS 86 CO 0.00 -1.45 1.67 0.72 -0.92 0.00 0.00 175.35 175.37 3kdj n HIS 87 N 5.14 0.10 1.62 3.18 8.25 -1.26 -2.13 115.22 130.12 3kdj n HIS 87 Ca 0.08 -0.05 0.14 0.00 -0.26 0.00 0.00 57.72 57.63 3kdj n HIS 87 Cb 0.46 0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.19 3kdj n HIS 87 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kdj n PHE 88 N -0.14 0.01 -3.52 4.41 3.72 -1.26 -4.82 117.46 115.85 3kdj n PHE 88 Ca 0.16 -0.01 -0.39 0.00 -0.05 0.00 0.00 57.45 57.16 3kdj n PHE 88 Cb 0.23 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.67 3kdj n PHE 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3kdj s ILE 89 N -1.99 5.27 -0.05 4.37 1.01 -0.90 -1.06 121.20 127.84 3kdj s ILE 89 Ca 0.40 0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 3kdj s ILE 89 Cb 0.21 -3.66 -0.24 0.00 0.01 0.00 0.00 42.46 38.78 3kdj s ILE 89 CO 0.34 0.09 1.01 0.50 0.00 0.00 0.00 174.94 176.88 3kdj h LYS 90 N 8.41 0.20 -3.53 2.79 3.64 0.11 -3.45 116.57 124.74 3kdj h LYS 90 Ca -0.32 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 3kdj h LYS 90 Cb 1.17 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 3kdj h LYS 90 CO 0.61 0.96 -0.13 -1.54 -2.27 0.00 0.00 179.45 177.09 3kdj s SER 91 N -6.39 -0.14 -0.09 4.20 1.04 -1.05 -5.00 113.70 106.27 3kdj s SER 91 Ca -0.16 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.68 3kdj s SER 91 Cb 0.01 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.67 3kdj s SER 91 CO 0.75 -0.93 0.19 0.00 0.98 0.00 0.00 173.24 174.23 3kdj s ASN 93 N 2.13 4.87 0.22 0.00 -0.87 -0.44 -4.98 114.94 115.88 3kdj s ASN 93 Ca 0.00 -0.22 0.01 0.00 -1.57 0.00 0.00 52.86 51.09 3kdj s ASN 93 Cb -0.12 -1.12 -0.05 0.00 -0.02 0.00 0.00 41.25 39.95 3kdj s ASN 93 CO -0.07 0.18 0.08 0.68 -2.57 0.00 0.00 177.10 175.41 3kdj s VAL 94 N -1.27 0.44 0.83 1.60 -7.23 -1.26 -1.65 120.40 111.86 3kdj s VAL 94 Ca 0.24 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3kdj s VAL 94 Cb -0.12 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.46 3kdj s VAL 94 CO 0.17 -0.14 1.19 -0.55 -0.31 0.00 0.00 175.10 175.46 3kdj s SER 95 N -3.23 3.49 0.30 4.85 0.15 -1.26 -4.91 113.70 113.07 3kdj s SER 95 Ca 0.34 2.32 0.02 0.00 0.70 0.00 0.00 55.95 59.34 3kdj s SER 95 Cb 0.07 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.27 3kdj s SER 95 CO 0.10 -2.74 1.79 -0.33 1.20 0.00 0.00 173.24 173.27 3kdj h GLU 96 N -1.08 0.57 -1.56 5.44 5.08 -2.02 -2.79 114.58 118.22 3kdj h GLU 96 Ca -0.46 -0.16 -0.68 0.00 -1.00 0.00 0.00 59.36 57.06 3kdj h GLU 96 Cb 1.29 -0.06 -0.26 0.00 0.50 0.00 0.00 28.75 30.22 3kdj h GLU 96 CO 0.45 0.66 0.89 -0.40 -1.00 0.00 0.00 179.01 179.62 3kdj n ASP 97 N -4.21 7.45 -4.66 1.42 3.85 -1.26 -4.99 116.55 114.15 3kdj n ASP 97 Ca 0.01 -3.71 -0.43 0.00 -0.71 0.00 0.00 54.79 49.95 3kdj n ASP 97 Cb 0.32 -1.05 -0.02 0.00 -1.35 0.00 0.00 41.12 39.02 3kdj n ASP 97 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3kdj s PHE 98 N -3.62 2.85 -0.10 2.11 5.36 -1.06 -5.02 117.98 118.51 3kdj s PHE 98 Ca 0.56 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 3kdj s PHE 98 Cb 0.45 -3.52 -0.02 0.00 -0.34 0.00 0.00 43.02 39.60 3kdj s PHE 98 CO -0.21 -1.77 -0.16 -1.21 -1.46 0.00 0.00 175.22 170.41 3kdj s GLU 99 N 3.32 3.01 -0.92 10.12 0.41 -1.26 -5.05 118.70 128.33 3kdj s GLU 99 Ca 0.56 -0.73 -0.24 0.00 -0.41 0.00 0.00 54.97 54.14 3kdj s GLU 99 Cb -0.23 -2.47 0.04 0.00 -1.78 0.00 0.00 34.13 29.69 3kdj s GLU 99 CO 0.17 0.34 1.40 1.41 -0.49 0.00 0.00 175.26 178.09 3kdj s MET 100 N -0.01 3.45 0.05 1.61 1.75 -1.26 -4.82 119.30 120.07 3kdj s MET 100 Ca -0.05 -0.81 0.01 0.00 -1.25 0.00 0.00 55.69 53.59 3kdj s MET 100 Cb -0.14 -4.96 -0.03 0.00 2.84 0.00 0.00 34.83 32.54 3kdj s MET 100 CO 0.04 -2.20 -0.06 1.03 -0.65 0.00 0.00 175.02 173.19 3kdj s ARG 101 N 5.25 0.58 0.16 4.11 0.52 -1.26 -5.09 118.95 123.22 3kdj s ARG 101 Ca 0.42 -0.94 -0.33 0.00 -0.52 0.00 0.00 55.73 54.37 3kdj s ARG 101 Cb -0.03 -0.14 -0.16 0.00 0.52 0.00 0.00 34.95 35.14 3kdj s ARG 101 CO -0.01 -0.00 1.10 0.28 0.02 0.00 0.00 175.30 176.68 3kdj n VAL 102 N 0.93 0.95 0.00 3.52 0.31 -1.26 -1.69 118.33 121.08 3kdj n VAL 102 Ca -0.19 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3kdj n VAL 102 Cb 0.57 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 3kdj n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kdj n GLY 103 N 1.94 2.76 3.75 2.92 0.00 0.11 -5.01 105.19 111.66 3kdj n GLY 103 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3kdj n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdj s THR 105 N -2.24 1.60 -0.04 0.00 -4.23 -1.26 -0.79 115.64 108.69 3kdj s THR 105 Ca 0.69 -2.09 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 3kdj s THR 105 Cb -0.24 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3kdj s THR 105 CO 0.44 -0.22 0.22 0.00 -0.54 0.00 0.00 174.62 174.52 3kdj s ARG 106 N -3.75 0.43 -0.20 3.99 1.70 -0.13 -4.61 118.95 116.37 3kdj s ARG 106 Ca 0.31 -0.02 -0.07 0.00 -0.47 0.00 0.00 55.73 55.49 3kdj s ARG 106 Cb 0.05 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3kdj s ARG 106 CO 0.13 -0.09 0.04 -0.51 -1.08 0.00 0.00 175.30 173.79 3kdj s ASP 107 N -0.68 5.23 -0.04 -2.89 1.01 -0.66 -1.01 116.67 117.63 3kdj s ASP 107 Ca -0.08 -0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.10 3kdj s ASP 107 Cb -0.04 -1.90 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3kdj s ASP 107 CO 0.02 0.08 -0.04 0.68 0.21 0.00 0.00 175.17 176.12 3kdj s VAL 108 N 0.89 3.91 -0.19 -1.27 -7.23 0.57 -1.32 120.40 115.76 3kdj s VAL 108 Ca 0.03 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.57 3kdj s VAL 108 Cb -0.14 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 3kdj s VAL 108 CO 0.02 0.49 0.07 0.20 -0.31 0.00 0.00 175.10 175.57 3kdj s ASN 109 N -1.17 5.63 0.35 4.85 0.01 -0.09 -1.69 114.94 122.82 3kdj s ASN 109 Ca 0.16 0.06 -0.17 0.00 -0.71 0.00 0.00 52.86 52.20 3kdj s ASN 109 Cb -0.11 -1.97 -0.09 0.00 0.41 0.00 0.00 41.25 39.48 3kdj s ASN 109 CO 0.05 0.15 0.79 -0.69 -1.51 0.00 0.00 177.10 175.89 3kdj s VAL 110 N 0.53 4.60 0.83 1.60 1.01 -0.18 0.76 120.40 129.54 3kdj s VAL 110 Ca 0.04 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 3kdj s VAL 110 Cb -0.13 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.73 3kdj s VAL 110 CO 0.01 -0.20 1.11 0.27 0.00 0.00 0.00 175.10 176.28 3kdj s ILE 111 N -2.01 2.85 0.64 2.22 -4.36 -0.22 -4.52 121.20 115.80 3kdj s ILE 111 Ca 0.56 0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 61.07 3kdj s ILE 111 Cb -0.10 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 40.99 3kdj s ILE 111 CO 0.16 -0.36 1.12 -0.94 0.24 0.00 0.00 174.94 175.16 3kdj s SER 112 N -3.15 5.19 0.00 4.36 1.04 -1.26 -4.09 113.70 115.79 3kdj s SER 112 Ca 0.63 2.04 0.00 0.00 0.48 0.00 0.00 55.95 59.11 3kdj s SER 112 Cb -0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3kdj s SER 112 CO 0.57 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3kdj n GLY 113 N -0.37 0.76 3.76 7.32 0.00 -1.26 -5.08 105.19 110.33 3kdj n GLY 113 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3kdj n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdj s LEU 114 N 0.00 3.51 0.00 0.99 1.43 -1.26 -5.00 118.68 118.35 3kdj s LEU 114 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3kdj s LEU 114 Cb 0.00 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kdj s LEU 114 CO 0.00 -0.13 1.65 -0.81 0.23 0.00 0.00 176.35 177.29 3kdj n PRO 115 N -1.13 0.84 -3.52 1.29 -0.04 -1.26 -4.72 135.00 126.45 3kdj n PRO 115 Ca -0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.26 3kdj n PRO 115 Cb 0.59 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.92 3kdj n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kdj s ALA 116 N 0.32 -1.80 -0.13 0.55 0.00 -1.26 -4.44 121.76 115.00 3kdj s ALA 116 Ca 0.00 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 3kdj s ALA 116 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 3kdj s ALA 116 CO 0.00 -0.42 -0.15 0.09 0.00 0.00 0.00 175.76 175.28 3kdj n ASN 117 N 0.66 1.37 -4.00 0.00 3.02 -0.76 -4.80 115.26 110.74 3kdj n ASN 117 Ca -0.16 0.11 -0.08 0.00 -0.03 0.00 0.00 54.58 54.42 3kdj n ASN 117 Cb 0.58 -0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 39.33 3kdj n ASN 117 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kdj s THR 118 N -2.24 0.16 -0.12 3.41 -4.23 -1.23 -1.01 115.64 110.38 3kdj s THR 118 Ca -0.18 -1.55 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 3kdj s THR 118 Cb 0.06 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.38 3kdj s THR 118 CO 0.24 -0.73 0.31 -0.55 -0.54 0.00 0.00 174.62 173.35 3kdj s SER 119 N -2.92 -0.33 -0.19 3.99 0.15 -0.68 -1.52 113.70 112.20 3kdj s SER 119 Ca 0.10 0.62 -0.05 0.00 0.70 0.00 0.00 55.95 57.32 3kdj s SER 119 Cb 0.06 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.96 3kdj s SER 119 CO -0.08 -0.12 -0.00 -0.13 1.20 0.00 0.00 173.24 174.11 3kdj s ARG 120 N 0.33 3.63 0.07 5.44 0.52 0.55 -0.32 118.95 129.18 3kdj s ARG 120 Ca -0.01 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 3kdj s ARG 120 Cb -0.03 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 3kdj s ARG 120 CO -0.01 0.04 -0.13 -1.21 0.02 0.00 0.00 175.30 174.01 3kdj s GLU 121 N 0.91 0.80 -0.04 3.54 2.02 -0.18 -0.43 118.70 125.31 3kdj s GLU 121 Ca 0.01 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.09 3kdj s GLU 121 Cb -0.14 -0.77 -0.00 0.00 0.10 0.00 0.00 34.13 33.32 3kdj s GLU 121 CO 0.02 0.17 -0.16 0.50 0.02 0.00 0.00 175.26 175.81 3kdj s ARG 122 N -1.78 1.64 -0.12 1.61 3.52 0.12 -0.96 118.95 122.99 3kdj s ARG 122 Ca -0.02 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 3kdj s ARG 122 Cb -0.10 -1.44 -0.03 0.00 -1.56 0.00 0.00 34.95 31.82 3kdj s ARG 122 CO 0.02 0.22 1.37 -1.17 -0.81 0.00 0.00 175.30 174.93 3kdj s LEU 123 N 0.07 4.24 -0.24 -0.88 2.96 0.03 -1.22 118.68 123.63 3kdj s LEU 123 Ca -0.04 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.71 3kdj s LEU 123 Cb -0.11 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.86 3kdj s LEU 123 CO 0.02 -0.79 -0.14 0.47 -1.32 0.00 0.00 176.35 174.59 3kdj n ASP 124 N 6.55 1.99 -4.03 3.68 8.00 0.49 0.08 116.55 133.31 3kdj n ASP 124 Ca 0.15 0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.52 3kdj n ASP 124 Cb 0.44 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 3kdj n ASP 124 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kdj s LEU 125 N -6.88 2.07 -0.29 0.64 1.43 -0.99 -4.80 118.68 109.86 3kdj s LEU 125 Ca -0.34 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3kdj s LEU 125 Cb 0.10 -0.40 0.18 0.00 0.03 0.00 0.00 46.19 46.09 3kdj s LEU 125 CO 0.60 0.05 0.52 -0.22 0.23 0.00 0.00 176.35 177.53 3kdj s LEU 126 N -0.52 -1.24 -0.29 1.79 0.20 -1.25 -2.45 118.68 114.92 3kdj s LEU 126 Ca 0.01 0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.05 3kdj s LEU 126 Cb -0.05 1.72 0.09 0.00 -0.43 0.00 0.00 46.19 47.53 3kdj s LEU 126 CO 0.00 -0.30 0.06 -0.62 -0.29 0.00 0.00 176.35 175.19 3kdj s ASP 127 N 2.73 4.00 0.40 3.68 3.68 -0.02 -4.97 116.67 126.17 3kdj s ASP 127 Ca 0.13 -1.56 0.20 0.00 2.13 0.00 0.00 52.55 53.45 3kdj s ASP 127 Cb -0.12 -1.01 0.79 0.00 -1.45 0.00 0.00 42.92 41.12 3kdj s ASP 127 CO -0.25 -0.37 1.79 0.44 0.13 0.00 0.00 175.17 176.91 3kdj h ASP 128 N 8.00 0.00 -0.08 -0.34 3.45 -1.97 0.31 116.42 125.79 3kdj h ASP 128 Ca -0.13 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.25 3kdj h ASP 128 Cb 1.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 3kdj h ASP 128 CO 0.46 0.33 -0.25 0.44 -1.57 0.00 0.00 179.24 178.65 3kdj h ASP 129 N 0.00 0.35 0.05 6.45 3.32 -1.97 -3.31 116.42 121.31 3kdj h ASP 129 Ca -0.00 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.43 3kdj h ASP 129 Cb 0.80 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3kdj h ASP 129 CO 0.04 0.91 -0.32 0.54 -1.72 0.00 0.00 179.24 178.69 3kdj n ARG 130 N -4.49 1.30 -3.54 3.56 1.74 -1.17 -4.98 116.66 109.08 3kdj n ARG 130 Ca -0.08 -0.99 -0.21 0.00 -0.77 0.00 0.00 57.85 55.80 3kdj n ARG 130 Cb 0.45 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.47 3kdj n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kdj n ARG 131 N 0.01 -3.60 -5.25 5.56 1.74 0.10 -4.63 116.66 110.59 3kdj n ARG 131 Ca 0.11 0.68 -0.32 0.00 -0.77 0.00 0.00 57.85 57.56 3kdj n ARG 131 Cb 0.45 -5.22 -0.17 0.00 -1.02 0.00 0.00 32.46 26.50 3kdj n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kdj s VAL 132 N -3.51 2.08 0.21 1.55 1.01 -0.92 -1.44 120.40 119.38 3kdj s VAL 132 Ca 0.23 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3kdj s VAL 132 Cb -0.05 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3kdj s VAL 132 CO 0.79 0.57 0.17 0.28 0.00 0.00 0.00 175.10 176.91 3kdj s THR 133 N -0.07 0.00 -0.25 3.92 -1.32 0.06 -0.84 115.64 117.14 3kdj s THR 133 Ca -0.06 -1.94 -0.37 0.00 -1.21 0.00 0.00 61.69 58.11 3kdj s THR 133 Cb -0.15 -2.47 0.15 0.00 -1.51 0.00 0.00 72.50 68.53 3kdj s THR 133 CO 0.05 0.00 1.33 -0.83 -2.21 0.00 0.00 174.62 172.96 3kdj s GLY 134 N -3.15 -0.24 0.17 6.08 0.00 -1.02 -0.13 107.32 109.03 3kdj s GLY 134 Ca 0.37 1.77 -0.11 0.00 0.00 0.00 0.00 44.72 46.76 3kdj s GLY 134 CO 0.12 0.58 0.34 -0.11 0.00 0.00 0.00 173.10 174.03 3kdj s PHE 135 N -2.16 0.30 0.01 1.90 -0.12 -0.58 -0.38 117.98 116.95 3kdj s PHE 135 Ca 0.11 -0.66 0.06 0.00 -0.05 0.00 0.00 56.93 56.39 3kdj s PHE 135 Cb -0.01 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3kdj s PHE 135 CO -0.03 -0.77 -0.18 -1.12 -0.05 0.00 0.00 175.22 173.08 3kdj s SER 136 N -2.95 2.07 -0.24 1.98 0.01 -0.36 -1.06 113.70 113.15 3kdj s SER 136 Ca 0.16 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.88 3kdj s SER 136 Cb 0.02 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 3kdj s SER 136 CO -0.00 0.16 0.31 -0.63 0.41 0.00 0.00 173.24 173.49 3kdj s ILE 137 N -0.60 5.24 -1.75 1.44 1.01 -0.08 -0.70 121.20 125.76 3kdj s ILE 137 Ca 0.06 0.48 0.15 0.00 0.00 0.00 0.00 60.65 61.34 3kdj s ILE 137 Cb -0.07 -3.64 0.22 0.00 0.01 0.00 0.00 42.46 38.97 3kdj s ILE 137 CO 0.00 0.24 1.10 0.35 0.00 0.00 0.00 174.94 176.64 3kdj n THR 138 N 4.70 0.31 0.00 2.92 -2.24 0.43 -4.12 114.28 116.27 3kdj n THR 138 Ca -0.10 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3kdj n THR 138 Cb 0.51 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3kdj n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kdj n GLY 139 N 0.89 0.11 0.00 3.38 0.00 -1.26 -5.00 105.19 103.31 3kdj n GLY 139 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kdj n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdj n GLY 140 N -0.49 0.55 3.37 -0.02 0.00 -1.26 0.21 105.19 107.55 3kdj n GLY 140 Ca 0.00 -2.21 -0.46 0.00 0.00 0.00 0.00 46.02 43.35 3kdj n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdj s GLU 141 N -0.21 3.72 0.07 1.61 2.02 -0.57 -4.94 118.70 120.40 3kdj s GLU 141 Ca 0.00 -2.39 -0.18 0.00 0.02 0.00 0.00 54.97 52.42 3kdj s GLU 141 Cb 0.00 -4.62 0.06 0.00 0.10 0.00 0.00 34.13 29.67 3kdj s GLU 141 CO 0.00 -1.44 0.83 -2.39 0.02 0.00 0.00 175.26 172.28 3kdj n HIS 142 N 4.59 -0.78 -0.69 1.61 1.44 -1.26 -1.84 115.22 118.29 3kdj n HIS 142 Ca 0.20 -0.75 0.07 0.00 -2.01 0.00 0.00 57.72 55.23 3kdj n HIS 142 Cb 0.46 0.36 0.18 0.00 0.12 0.00 0.00 29.99 31.11 3kdj n HIS 142 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3kdj n ARG 143 N -0.59 2.63 -3.46 -1.40 1.74 -1.26 -4.80 116.66 109.52 3kdj n ARG 143 Ca 0.01 -2.45 -0.40 0.00 -0.77 0.00 0.00 57.85 54.24 3kdj n ARG 143 Cb 0.42 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3kdj n ARG 143 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kdj n LEU 144 N -0.41 4.93 -4.75 0.55 4.77 -1.26 -4.60 117.00 116.22 3kdj n LEU 144 Ca 0.16 -5.11 -0.40 0.00 -0.03 0.00 0.00 56.01 50.63 3kdj n LEU 144 Cb 0.66 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 3kdj n LEU 144 CO 0.09 1.49 0.51 -0.13 -1.33 0.00 0.00 177.39 178.03 3kdj s ARG 145 N -1.48 4.57 -1.62 3.23 1.81 -1.26 -3.60 118.95 120.60 3kdj s ARG 145 Ca 0.30 1.18 -0.02 0.00 -1.72 0.00 0.00 55.73 55.46 3kdj s ARG 145 Cb -0.07 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 3kdj s ARG 145 CO -0.09 0.39 0.32 0.09 -0.68 0.00 0.00 175.30 175.33 3kdj n ASN 146 N 2.31 -5.93 -4.75 0.23 3.02 -1.26 -1.90 115.26 106.99 3kdj n ASN 146 Ca -0.03 -0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 3kdj n ASN 146 Cb 0.49 -4.83 -0.02 0.00 -0.61 0.00 0.00 39.78 34.81 3kdj n ASN 146 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kdj s TYR 147 N -3.10 2.99 -0.05 3.10 5.04 -1.24 -4.42 117.35 119.69 3kdj s TYR 147 Ca 0.16 1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 55.82 3kdj s TYR 147 Cb -0.07 -3.83 0.03 0.00 0.35 0.00 0.00 41.96 38.44 3kdj s TYR 147 CO 0.20 -2.65 0.11 0.21 -1.34 0.00 0.00 175.55 172.07 3kdj s LYS 148 N -0.56 0.06 0.17 4.97 2.36 -0.17 -0.90 119.74 125.67 3kdj s LYS 148 Ca 0.58 0.27 0.05 0.00 -2.55 0.00 0.00 55.97 54.32 3kdj s LYS 148 Cb -0.42 -0.15 -0.05 0.00 -1.05 0.00 0.00 37.83 36.17 3kdj s LYS 148 CO 0.45 -0.13 -0.08 -1.54 1.55 0.00 0.00 175.35 175.59 3kdj s SER 149 N 0.90 1.90 -0.02 1.43 1.04 -0.22 -0.77 113.70 117.97 3kdj s SER 149 Ca -0.07 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.30 3kdj s SER 149 Cb -0.09 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.02 3kdj s SER 149 CO -0.04 -0.36 -0.00 -0.69 0.98 0.00 0.00 173.24 173.13 3kdj s VAL 150 N -3.31 0.11 -0.08 5.02 1.01 -0.29 -1.52 120.40 121.34 3kdj s VAL 150 Ca 0.20 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3kdj s VAL 150 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.25 3kdj s VAL 150 CO 0.03 0.09 -0.19 -0.89 0.00 0.00 0.00 175.10 174.14 3kdj s THR 151 N 0.57 1.70 0.03 3.92 2.01 0.82 -1.44 115.64 123.24 3kdj s THR 151 Ca -0.05 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.19 3kdj s THR 151 Cb -0.08 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 3kdj s THR 151 CO -0.01 0.48 -0.16 0.42 -0.69 0.00 0.00 174.62 174.65 3kdj s THR 152 N 0.44 1.31 -0.11 -0.82 -4.23 0.46 -0.76 115.64 111.93 3kdj s THR 152 Ca -0.17 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3kdj s THR 152 Cb -0.17 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 3kdj s THR 152 CO 0.07 0.14 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.40 3kdj s VAL 153 N -0.74 2.47 -0.02 2.29 1.01 -0.52 -1.08 120.40 123.82 3kdj s VAL 153 Ca 0.04 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3kdj s VAL 153 Cb -0.08 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3kdj s VAL 153 CO 0.01 0.55 -0.15 -1.00 0.00 0.00 0.00 175.10 174.51 3kdj s HIS 154 N 0.25 1.37 -0.17 5.22 3.76 -0.07 -4.79 115.29 120.86 3kdj s HIS 154 Ca -0.13 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 3kdj s HIS 154 Cb -0.17 -0.89 -0.05 0.00 1.11 0.00 0.00 32.58 32.59 3kdj s HIS 154 CO 0.07 -0.04 0.16 0.50 -0.85 0.00 0.00 174.74 174.58 3kdj s ARG 155 N -0.29 4.06 0.00 1.40 3.52 -1.26 -1.38 118.95 125.00 3kdj s ARG 155 Ca 0.04 -0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.58 3kdj s ARG 155 Cb -0.07 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 3kdj s ARG 155 CO -0.00 0.39 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.57 3kdj s PHE 156 N 0.09 2.14 0.01 5.12 0.08 0.41 -4.97 117.98 120.87 3kdj s PHE 156 Ca 0.11 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.78 3kdj s PHE 156 Cb -0.12 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3kdj s PHE 156 CO 0.00 0.01 -0.08 -1.83 -0.10 0.00 0.00 175.22 173.23 3kdj s GLU 157 N -0.76 0.57 -0.09 0.44 4.04 -1.26 -1.11 118.70 120.52 3kdj s GLU 157 Ca 0.10 -0.44 -0.07 0.00 0.04 0.00 0.00 54.97 54.60 3kdj s GLU 157 Cb -0.09 -0.50 0.03 0.00 0.02 0.00 0.00 34.13 33.59 3kdj s GLU 157 CO -0.00 0.12 0.23 0.21 -1.84 0.00 0.00 175.26 173.99 3kdj s LYS 158 N -0.67 0.24 -0.31 -4.83 2.20 -0.28 -5.01 119.74 111.09 3kdj s LYS 158 Ca -0.01 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 3kdj s LYS 158 Cb -0.05 0.03 0.10 0.00 -1.51 0.00 0.00 37.83 36.40 3kdj s LYS 158 CO 0.00 -0.08 0.07 -2.00 -0.36 0.00 0.00 175.35 172.98 3kdj s GLU 159 N 0.54 1.06 0.00 4.03 2.12 -1.26 -0.68 118.70 124.51 3kdj s GLU 159 Ca -0.03 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 53.95 3kdj s GLU 159 Cb -0.05 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.86 3kdj s GLU 159 CO -0.03 -0.94 0.00 0.39 -0.54 0.00 0.00 175.26 174.15 3kdj n GLU 160 N 4.62 0.00 0.00 4.30 4.71 -1.26 -4.99 120.64 128.02 3kdj n GLU 160 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3kdj n GLU 160 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.85 3kdj n GLU 160 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3kdj n GLU 161 N 0.00 0.00 -2.71 3.49 2.13 -1.26 -4.84 120.64 117.45 3kdj n GLU 161 Ca 0.00 0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.64 3kdj n GLU 161 Cb 0.00 -0.64 0.04 0.00 0.27 0.00 0.00 31.44 31.11 3kdj n GLU 161 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 3kdj s GLU 162 N -0.28 2.50 0.09 5.31 -1.05 -1.26 -5.08 118.70 118.93 3kdj s GLU 162 Ca 0.00 -0.93 -0.23 0.00 -0.15 0.00 0.00 54.97 53.65 3kdj s GLU 162 Cb 0.00 -2.53 -0.07 0.00 -0.44 0.00 0.00 34.13 31.10 3kdj s GLU 162 CO 0.00 -0.71 0.71 -2.00 0.95 0.00 0.00 175.26 174.21 3kdj s GLU 163 N -4.72 4.45 -0.07 -4.83 2.12 -1.26 -4.56 118.70 109.82 3kdj s GLU 163 Ca 0.58 1.00 0.03 0.00 0.36 0.00 0.00 54.97 56.94 3kdj s GLU 163 Cb -0.10 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.01 3kdj s GLU 163 CO 0.38 0.48 -0.17 1.03 -0.54 0.00 0.00 175.26 176.45 3kdj s ARG 164 N -0.73 2.11 -0.10 4.30 0.52 0.14 -5.00 118.95 120.19 3kdj s ARG 164 Ca 0.35 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 3kdj s ARG 164 Cb -0.21 -1.69 -0.00 0.00 0.52 0.00 0.00 34.95 33.56 3kdj s ARG 164 CO 0.23 0.11 -0.22 0.42 0.02 0.00 0.00 175.30 175.86 3kdj s ILE 165 N 0.45 2.24 0.28 1.52 1.01 -1.26 -1.12 121.20 124.32 3kdj s ILE 165 Ca -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3kdj s ILE 165 Cb -0.16 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3kdj s ILE 165 CO 0.05 0.56 0.23 -1.66 0.00 0.00 0.00 174.94 174.12 3kdj s TRP 166 N 0.28 1.48 0.06 3.97 -2.14 -0.27 -4.41 118.94 117.91 3kdj s TRP 166 Ca -0.16 -1.53 0.07 0.00 2.66 0.00 0.00 56.10 57.15 3kdj s TRP 166 Cb -0.17 -0.62 -0.03 0.00 -3.10 0.00 0.00 33.47 29.55 3kdj s TRP 166 CO 0.08 -0.79 -0.20 0.99 -2.66 0.00 0.00 176.95 174.36 3kdj s THR 167 N -3.71 1.64 -0.08 0.66 2.01 -0.36 -0.44 115.64 115.35 3kdj s THR 167 Ca 0.39 -1.30 0.05 0.00 0.31 0.00 0.00 61.69 61.14 3kdj s THR 167 Cb 0.04 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 3kdj s THR 167 CO 0.21 0.10 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.32 3kdj s VAL 168 N -0.93 1.99 -0.13 3.82 1.01 -0.48 -0.55 120.40 125.14 3kdj s VAL 168 Ca 0.07 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3kdj s VAL 168 Cb -0.09 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3kdj s VAL 168 CO 0.03 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.06 3kdj s VAL 169 N 0.19 4.94 -0.08 2.92 1.01 -0.09 -0.89 120.40 128.39 3kdj s VAL 169 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3kdj s VAL 169 Cb -0.16 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3kdj s VAL 169 CO 0.07 0.56 -0.20 -0.76 0.00 0.00 0.00 175.10 174.77 3kdj s LEU 170 N -0.53 2.37 -0.02 3.92 1.02 -0.24 -1.12 118.68 124.08 3kdj s LEU 170 Ca 0.11 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.85 3kdj s LEU 170 Cb -0.12 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.64 3kdj s LEU 170 CO 0.02 0.23 0.01 -0.70 0.02 0.00 0.00 176.35 175.92 3kdj s GLU 171 N -0.04 0.17 0.15 1.70 2.12 -0.07 -0.41 118.70 122.33 3kdj s GLU 171 Ca -0.05 0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.38 3kdj s GLU 171 Cb -0.14 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 3kdj s GLU 171 CO 0.05 -0.11 -0.02 -1.54 -0.54 0.00 0.00 175.26 173.09 3kdj s SER 172 N 0.82 1.26 0.08 -1.70 1.04 -0.52 0.15 113.70 114.83 3kdj s SER 172 Ca -0.08 -1.12 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 3kdj s SER 172 Cb -0.11 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.13 3kdj s SER 172 CO -0.02 -0.52 0.33 -0.72 0.98 0.00 0.00 173.24 173.29 3kdj s TYR 173 N -3.61 -0.11 0.10 5.02 1.13 -1.02 -1.13 117.35 117.72 3kdj s TYR 173 Ca 0.20 -0.11 0.09 0.00 -1.41 0.00 0.00 57.07 55.84 3kdj s TYR 173 Cb 0.05 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 41.02 3kdj s TYR 173 CO 0.02 -0.58 -0.24 0.54 -2.51 0.00 0.00 175.55 172.78 3kdj s VAL 174 N -3.15 1.94 0.12 -3.49 0.11 0.05 -3.10 120.40 112.87 3kdj s VAL 174 Ca -0.01 -1.56 -0.21 0.00 -2.93 0.00 0.00 61.98 57.28 3kdj s VAL 174 Cb 0.01 -1.72 0.05 0.00 -1.53 0.00 0.00 36.38 33.19 3kdj s VAL 174 CO -0.07 0.07 0.51 0.54 -3.33 0.00 0.00 175.10 172.82 3kdj s VAL 175 N -1.04 0.03 0.22 2.04 0.11 -0.45 -1.00 120.40 120.31 3kdj s VAL 175 Ca 0.10 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.59 3kdj s VAL 175 Cb -0.10 -1.05 -0.09 0.00 -1.53 0.00 0.00 36.38 33.62 3kdj s VAL 175 CO 0.04 -0.14 1.14 -1.81 -3.33 0.00 0.00 175.10 171.00 3kdj s ASP 176 N -2.54 7.19 -0.11 3.54 1.01 -0.80 -0.88 116.67 124.08 3kdj s ASP 176 Ca -0.00 2.22 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 3kdj s ASP 176 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3kdj s ASP 176 CO -0.09 -0.25 1.13 -0.69 0.21 0.00 0.00 175.17 175.47 3kdj s VAL 177 N -0.54 4.48 0.58 -1.27 1.01 -0.28 -4.50 120.40 119.88 3kdj s VAL 177 Ca 0.49 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 64.10 3kdj s VAL 177 Cb -0.32 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 3kdj s VAL 177 CO 0.38 -0.04 1.02 -2.16 0.00 0.00 0.00 175.10 174.30 3kdj s PRO 178 N 2.47 3.58 -0.14 2.72 0.05 -1.26 -4.91 135.00 137.51 3kdj s PRO 178 Ca 0.52 0.97 -0.40 0.00 0.05 0.00 0.00 61.00 62.14 3kdj s PRO 178 Cb -0.21 -2.08 -0.18 0.00 0.05 0.00 0.00 34.50 32.09 3kdj s PRO 178 CO 0.17 -0.58 1.46 0.39 0.05 0.00 0.00 177.00 178.49 3kdj n GLU 179 N -2.16 0.75 -0.18 4.56 -0.58 -1.26 -2.07 120.64 119.69 3kdj n GLU 179 Ca 0.07 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 3kdj n GLU 179 Cb 0.54 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3kdj n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kdj n GLY 180 N 3.09 0.73 3.48 0.62 0.00 -1.26 -5.05 105.19 106.81 3kdj n GLY 180 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 3kdj n GLY 180 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kdj s ASN 181 N -2.85 3.22 0.53 1.61 -0.87 -0.88 -5.16 114.94 110.53 3kdj s ASN 181 Ca 0.00 -1.20 0.09 0.00 -1.57 0.00 0.00 52.86 50.18 3kdj s ASN 181 Cb 0.00 -0.25 0.06 0.00 -0.02 0.00 0.00 41.25 41.03 3kdj s ASN 181 CO 0.00 -0.28 0.67 -0.94 -2.57 0.00 0.00 177.10 173.98 3kdj s SER 182 N -3.52 5.16 0.22 -1.22 1.04 -1.26 -4.74 113.70 109.38 3kdj s SER 182 Ca 0.31 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 3kdj s SER 182 Cb 0.03 0.04 0.18 0.00 0.10 0.00 0.00 66.02 66.37 3kdj s SER 182 CO 0.14 -1.14 1.85 -0.08 0.98 0.00 0.00 173.24 174.99 3kdj h GLU 183 N 0.41 1.15 -0.52 4.02 4.81 -1.97 -2.49 114.58 119.99 3kdj h GLU 183 Ca -0.34 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3kdj h GLU 183 Cb 1.29 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3kdj h GLU 183 CO 0.45 0.84 0.25 1.49 -0.73 0.00 0.00 179.01 181.30 3kdj h GLU 184 N 1.16 0.75 -0.15 1.92 4.81 -1.99 -0.78 114.58 120.31 3kdj h GLU 184 Ca 0.30 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3kdj h GLU 184 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3kdj h GLU 184 CO -0.05 0.63 0.07 -0.44 -0.73 0.00 0.00 179.01 178.49 3kdj h ASP 185 N 0.70 0.11 -0.31 1.04 3.32 -1.93 -0.81 116.42 118.54 3kdj h ASP 185 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3kdj h ASP 185 Cb 0.12 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3kdj h ASP 185 CO -0.02 0.09 0.08 0.74 -1.72 0.00 0.00 179.24 178.40 3kdj h THR 186 N 0.16 1.22 -0.58 0.35 2.02 -1.25 -1.86 112.91 112.97 3kdj h THR 186 Ca 0.06 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 3kdj h THR 186 Cb 0.01 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3kdj h THR 186 CO -0.04 0.25 0.09 0.03 0.37 0.00 0.00 175.52 176.22 3kdj h ARG 187 N 0.35 0.94 -0.57 6.66 3.08 -1.07 -1.72 114.38 122.04 3kdj h ARG 187 Ca 0.10 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3kdj h ARG 187 Cb 0.30 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3kdj h ARG 187 CO 0.00 0.87 0.28 1.25 -1.07 0.00 0.00 179.97 181.30 3kdj h LEU 188 N 0.88 0.75 0.84 3.04 5.85 -0.93 0.12 115.31 125.87 3kdj h LEU 188 Ca 0.18 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kdj h LEU 188 Cb 0.39 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3kdj h LEU 188 CO 0.01 0.67 -0.41 0.15 -0.34 0.00 0.00 178.44 178.52 3kdj h PHE 189 N 0.78 -1.05 -0.45 1.25 3.57 -1.15 -1.66 116.94 118.23 3kdj h PHE 189 Ca 0.20 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3kdj h PHE 189 Cb 0.12 0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3kdj h PHE 189 CO -0.00 -0.65 0.21 0.00 -2.23 0.00 0.00 178.31 175.64 3kdj h ALA 190 N -1.14 0.56 -0.43 2.41 0.00 -1.31 -2.32 119.26 117.02 3kdj h ALA 190 Ca -0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kdj h ALA 190 Cb 0.88 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kdj h ALA 190 CO 0.19 -0.15 0.16 -0.44 0.00 0.00 0.00 179.25 179.01 3kdj h ASP 191 N 0.42 0.56 -0.21 0.00 5.19 -0.78 0.55 116.42 122.16 3kdj h ASP 191 Ca 0.20 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3kdj h ASP 191 Cb 0.12 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3kdj h ASP 191 CO -0.15 0.52 0.11 0.74 -3.12 0.00 0.00 179.24 177.33 3kdj h THR 192 N 0.61 1.12 0.22 0.35 2.02 -0.77 0.88 112.91 117.34 3kdj h THR 192 Ca 0.15 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3kdj h THR 192 Cb 0.14 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3kdj h THR 192 CO -0.01 0.12 -0.10 0.58 0.37 0.00 0.00 175.52 176.47 3kdj h VAL 193 N 0.21 0.83 -0.89 3.16 2.07 -0.95 -2.73 116.25 117.95 3kdj h VAL 193 Ca 0.07 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kdj h VAL 193 Cb 0.09 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3kdj h VAL 193 CO -0.01 0.06 0.50 0.40 0.02 0.00 0.00 177.57 178.54 3kdj h ILE 194 N -0.42 1.25 -0.77 4.57 2.04 -0.85 -1.16 117.51 122.17 3kdj h ILE 194 Ca -0.03 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3kdj h ILE 194 Cb 0.32 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3kdj h ILE 194 CO 0.05 0.28 0.31 -0.09 0.00 0.00 0.00 178.15 178.70 3kdj h ARG 195 N 1.24 1.15 -0.12 2.37 9.65 -0.79 -0.15 114.38 127.72 3kdj h ARG 195 Ca 0.32 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 3kdj h ARG 195 Cb 0.01 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3kdj h ARG 195 CO -0.05 0.93 0.03 1.25 2.80 0.00 0.00 179.97 184.93 3kdj h LEU 196 N 1.12 0.18 -0.46 3.80 5.85 -1.07 -1.64 115.31 123.10 3kdj h LEU 196 Ca 0.26 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3kdj h LEU 196 Cb 0.21 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3kdj h LEU 196 CO -0.02 0.34 0.05 0.78 -0.34 0.00 0.00 178.44 179.25 3kdj h ASN 197 N 0.00 -0.09 -0.39 1.25 -0.26 -0.85 -0.67 115.58 114.57 3kdj h ASN 197 Ca 0.04 0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 55.83 3kdj h ASN 197 Cb 0.23 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 3kdj h ASN 197 CO -0.00 -0.01 0.12 -0.07 -1.06 0.00 0.00 177.43 176.41 3kdj h LEU 198 N 0.17 0.63 -0.44 1.61 3.38 -0.93 0.12 115.31 119.85 3kdj h LEU 198 Ca 0.23 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3kdj h LEU 198 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kdj h LEU 198 CO -0.34 0.62 -0.33 1.56 0.09 0.00 0.00 178.44 180.04 3kdj h GLN 199 N 0.66 0.94 -0.05 1.13 4.20 -0.69 -0.95 115.11 120.35 3kdj h GLN 199 Ca 0.15 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3kdj h GLN 199 Cb 0.23 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kdj h GLN 199 CO -0.00 1.12 -0.01 -0.22 -0.67 0.00 0.00 178.83 179.05 3kdj h LYS 200 N 0.79 0.10 -0.54 1.46 1.63 -0.73 -1.61 116.57 117.66 3kdj h LYS 200 Ca 0.08 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.95 3kdj h LYS 200 Cb 0.92 -0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.43 3kdj h LYS 200 CO 0.09 0.41 -0.27 1.25 -3.45 0.00 0.00 179.45 177.47 3kdj h LEU 201 N -0.22 -0.93 -0.35 5.20 5.85 -0.71 0.23 115.31 124.37 3kdj h LEU 201 Ca 0.01 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3kdj h LEU 201 Cb 0.37 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 3kdj h LEU 201 CO 0.00 -0.28 0.04 0.00 -0.34 0.00 0.00 178.44 177.86 3kdj h ALA 202 N 1.15 0.35 -0.61 1.25 0.00 -1.00 -1.36 119.26 119.05 3kdj h ALA 202 Ca 0.24 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3kdj h ALA 202 Cb 0.52 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3kdj h ALA 202 CO -0.62 -0.37 0.35 1.03 0.00 0.00 0.00 179.25 179.64 3kdj h SER 203 N 0.14 0.75 -0.04 0.00 0.87 -0.53 -0.70 113.55 114.05 3kdj h SER 203 Ca 0.17 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3kdj h SER 203 Cb 0.22 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3kdj h SER 203 CO -0.26 0.61 -0.03 0.40 -0.53 0.00 0.00 176.83 177.03 3kdj h ILE 204 N 0.82 1.35 -0.25 2.23 2.04 -0.60 -1.84 117.51 121.26 3kdj h ILE 204 Ca 0.22 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 64.88 3kdj h ILE 204 Cb 0.02 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3kdj h ILE 204 CO -0.04 0.29 -0.35 0.71 0.00 0.00 0.00 178.15 178.76 3kdj h THR 205 N -0.32 1.29 -0.42 -0.27 1.35 -1.24 -0.41 112.91 112.89 3kdj h THR 205 Ca 0.01 -1.48 -0.03 0.00 -0.55 0.00 0.00 66.41 64.36 3kdj h THR 205 Cb 0.48 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 3kdj h THR 205 CO 0.01 0.47 0.14 -0.33 -0.25 0.00 0.00 175.52 175.55 3kdj h GLU 206 N 0.46 0.60 -0.03 4.72 5.08 -1.14 -1.87 114.58 122.40 3kdj h GLU 206 Ca 0.05 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 3kdj h GLU 206 Cb 0.83 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3kdj h GLU 206 CO 0.07 0.52 -0.79 0.00 -1.00 0.00 0.00 179.01 177.81 3kdj h ALA 207 N 1.56 0.59 -0.72 3.43 0.00 -0.59 -3.00 119.26 120.53 3kdj h ALA 207 Ca 0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3kdj h ALA 207 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3kdj h ALA 207 CO -0.01 0.82 0.31 0.52 0.00 0.00 0.00 179.25 180.89 3kdj h MET 208 N 0.18 1.05 -0.03 0.00 2.86 -0.59 -3.51 114.93 114.89 3kdj h MET 208 Ca -0.04 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3kdj h MET 208 Cb 1.38 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3kdj h MET 208 CO 0.13 0.83 0.00 -1.71 1.06 0.00 0.00 176.91 177.22