#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnj n VAL 35 N 0.00 2.77 -2.43 1.59 0.31 -1.26 -4.93 118.33 114.38 1xnj n VAL 35 Ca 0.00 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.57 1xnj n VAL 35 Cb 0.00 -1.49 0.04 0.00 -0.91 0.00 0.00 33.84 31.48 1xnj n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1xnj s SER 36 N -0.66 5.43 0.27 4.52 1.04 -1.26 -4.83 113.70 118.21 1xnj s SER 36 Ca 0.64 0.57 -0.03 0.00 0.48 0.00 0.00 55.95 57.60 1xnj s SER 36 Cb -0.50 -1.50 0.37 0.00 0.10 0.00 0.00 66.02 64.49 1xnj s SER 36 CO 0.56 -1.15 1.93 0.03 0.98 0.00 0.00 173.24 175.59 1xnj h ARG 37 N -0.19 1.19 -0.22 4.02 3.08 -1.91 0.25 114.38 120.58 1xnj h ARG 37 Ca -0.45 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.41 1xnj h ARG 37 Cb 1.27 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1xnj h ARG 37 CO 0.60 0.78 -0.36 -0.97 -1.07 0.00 0.00 179.97 178.95 1xnj h ASN 38 N 1.22 0.51 0.15 7.04 -1.24 -1.98 0.55 115.58 121.83 1xnj h ASN 38 Ca 0.36 -0.21 -0.23 0.00 0.71 0.00 0.00 56.30 56.94 1xnj h ASN 38 Cb -0.06 -0.14 0.03 0.00 0.73 0.00 0.00 38.32 38.87 1xnj h ASN 38 CO -0.10 0.83 -0.98 0.11 -1.29 0.00 0.00 177.43 176.00 1xnj h LYS 39 N 0.41 0.40 -0.80 6.67 1.57 -1.74 -2.76 116.57 120.33 1xnj h LYS 39 Ca 0.04 -0.63 0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1xnj h LYS 39 Cb 0.82 0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1xnj h LYS 39 CO 0.07 1.29 0.53 0.00 -0.57 0.00 0.00 179.45 180.76 1xnj h ARG 40 N -0.16 0.99 -0.03 3.15 3.08 -0.34 -2.42 114.38 118.64 1xnj h ARG 40 Ca -0.16 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.86 1xnj h ARG 40 Cb 1.75 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 31.54 1xnj h ARG 40 CO 0.19 0.65 -0.20 0.78 -1.07 0.00 0.00 179.97 180.32 1xnj h GLY 41 N 1.02 -0.26 1.61 0.04 0.00 0.13 -0.53 103.07 105.07 1xnj h GLY 41 Ca 0.31 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1xnj h GLY 41 CO -0.08 -0.18 0.19 -1.61 0.00 0.00 0.00 176.54 174.85 1xnj h GLN 42 N -0.31 0.00 -0.00 4.80 5.75 -1.13 -2.77 115.11 121.45 1xnj h GLN 42 Ca 0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1xnj h GLN 42 Cb 0.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1xnj h GLN 42 CO -0.21 0.00 -0.27 1.33 -2.65 0.00 0.00 178.83 177.03 1xnj n VAL 43 N -2.80 0.00 0.01 2.39 0.24 -0.29 -4.69 118.33 113.19 1xnj n VAL 43 Ca -0.02 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 1xnj n VAL 43 Cb 0.24 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.54 1xnj n VAL 43 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1xnj h VAL 44 N 0.13 1.17 -1.32 3.34 2.07 -1.02 -3.45 116.25 117.17 1xnj h VAL 44 Ca 0.00 -0.49 -0.57 0.00 0.82 0.00 0.00 66.70 66.46 1xnj h VAL 44 Cb 0.16 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1xnj h VAL 44 CO 0.00 0.13 -0.45 -0.83 0.02 0.00 0.00 177.57 176.44 1xnj s GLY 45 N -2.63 2.37 0.51 2.17 0.00 -1.26 -4.84 107.32 103.64 1xnj s GLY 45 Ca -0.14 -1.82 0.31 0.00 0.00 0.00 0.00 44.72 43.07 1xnj s GLY 45 CO 0.67 -1.91 1.90 0.00 0.00 0.00 0.00 173.10 173.76 1xnj h THR 46 N 1.26 0.00 0.16 0.90 1.03 -1.87 -3.34 112.91 111.04 1xnj h THR 46 Ca -0.42 -0.58 -0.34 0.00 -0.01 0.00 0.00 66.41 65.06 1xnj h THR 46 Cb 1.27 1.56 -0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1xnj h THR 46 CO 0.67 0.00 -1.77 0.03 -0.01 0.00 0.00 175.52 174.44 1xnj h ARG 47 N 0.00 0.33 -0.10 0.00 2.47 -1.95 -3.52 114.38 111.62 1xnj h ARG 47 Ca 0.00 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 1xnj h ARG 47 Cb 0.59 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1xnj h ARG 47 CO 0.00 1.27 -0.03 0.41 0.56 0.00 0.00 179.97 182.19 1xnj n GLY 48 N 1.88 -2.79 0.00 0.04 0.00 -1.26 -5.10 105.19 97.97 1xnj n GLY 48 Ca -0.27 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1xnj n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnj n GLY 49 N -1.64 1.81 3.70 -0.02 0.00 -1.26 -5.00 105.19 102.78 1xnj n GLY 49 Ca -0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 1xnj n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xnj s PHE 50 N -1.72 3.53 0.00 1.61 2.19 -1.26 -4.50 117.98 117.83 1xnj s PHE 50 Ca 0.00 1.20 0.12 0.00 0.33 0.00 0.00 56.93 58.58 1xnj s PHE 50 Cb 0.00 -2.83 0.19 0.00 -1.31 0.00 0.00 43.02 39.08 1xnj s PHE 50 CO 0.00 0.02 1.05 2.89 1.83 0.00 0.00 175.22 181.00 1xnj n ARG 51 N 4.12 0.00 -1.61 10.12 1.85 -1.26 -4.95 116.66 124.93 1xnj n ARG 51 Ca -0.01 -1.39 -0.47 0.00 -1.00 0.00 0.00 57.85 54.98 1xnj n ARG 51 Cb 0.51 -0.19 -0.03 0.00 -1.05 0.00 0.00 32.46 31.70 1xnj n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xnj n GLY 52 N 0.22 0.23 3.82 2.89 0.00 -1.23 -4.37 105.19 106.76 1xnj n GLY 52 Ca 0.01 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.55 1xnj n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj s THR 54 N -2.12 1.26 -0.43 0.00 2.01 -0.83 -1.19 115.64 114.34 1xnj s THR 54 Ca 0.23 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 1xnj s THR 54 Cb 0.03 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.41 1xnj s THR 54 CO -0.03 0.39 0.48 -0.69 -0.69 0.00 0.00 174.62 174.08 1xnj s VAL 55 N 0.78 5.04 -0.41 3.82 1.01 0.20 -1.48 120.40 129.36 1xnj s VAL 55 Ca -0.12 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1xnj s VAL 55 Cb -0.16 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.21 1xnj s VAL 55 CO 0.02 -0.49 0.25 0.86 0.00 0.00 0.00 175.10 175.75 1xnj s TRP 56 N 2.24 3.33 0.15 5.22 -0.11 0.11 -0.31 118.94 129.58 1xnj s TRP 56 Ca 0.13 -1.50 -0.18 0.00 1.22 0.00 0.00 56.10 55.77 1xnj s TRP 56 Cb -0.17 -2.92 -0.07 0.00 -1.50 0.00 0.00 33.47 28.81 1xnj s TRP 56 CO 0.14 -0.83 0.62 -0.51 -4.62 0.00 0.00 176.95 171.74 1xnj s LEU 57 N 1.43 4.40 0.01 5.86 1.43 0.03 -0.52 118.68 131.33 1xnj s LEU 57 Ca 0.03 1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 54.33 1xnj s LEU 57 Cb -0.23 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1xnj s LEU 57 CO 0.02 0.13 0.09 0.28 0.23 0.00 0.00 176.35 177.11 1xnj s THR 58 N -1.37 0.10 0.00 5.49 -1.32 -0.56 -3.93 115.64 114.04 1xnj s THR 58 Ca 0.37 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1xnj s THR 58 Cb -0.17 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1xnj s THR 58 CO 0.20 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1xnj n GLY 59 N 1.37 3.38 0.24 6.08 0.00 -0.40 -0.70 105.19 115.16 1xnj n GLY 59 Ca -0.22 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 1xnj n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xnj h LEU 60 N 0.00 0.97 -9.21 0.99 3.38 -1.84 -3.37 115.31 106.22 1xnj h LEU 60 Ca 0.00 -0.57 -0.56 0.00 0.09 0.00 0.00 57.88 56.85 1xnj h LEU 60 Cb 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1xnj h LEU 60 CO 0.00 1.37 1.03 -0.55 0.09 0.00 0.00 178.44 180.38 1xnj s SER 61 N -7.02 6.74 0.11 -0.43 0.15 -1.26 -4.87 113.70 107.12 1xnj s SER 61 Ca -0.10 2.01 -0.14 0.00 0.70 0.00 0.00 55.95 58.42 1xnj s SER 61 Cb 0.09 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.77 1xnj s SER 61 CO 0.90 -0.89 1.39 1.23 1.20 0.00 0.00 173.24 177.07 1xnj h GLY 62 N 10.16 0.85 0.83 9.45 0.00 -1.99 -3.09 103.07 119.27 1xnj h GLY 62 Ca -0.35 -0.96 -0.12 0.00 0.00 0.00 0.00 47.33 45.90 1xnj h GLY 62 CO 0.96 0.86 -0.40 0.00 0.00 0.00 0.00 176.54 177.96 1xnj h ALA 63 N 0.67 0.21 -0.92 3.60 0.00 -1.97 0.13 119.26 120.98 1xnj h ALA 63 Ca 0.02 -0.46 0.13 0.00 0.00 0.00 0.00 54.91 54.60 1xnj h ALA 63 Cb 1.03 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1xnj h ALA 63 CO 0.10 0.32 -0.38 0.41 0.00 0.00 0.00 179.25 179.69 1xnj n GLY 64 N 0.60 -1.96 0.14 0.00 0.00 -1.25 -0.11 105.19 102.62 1xnj n GLY 64 Ca -0.07 1.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.76 1xnj n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnj h LYS 65 N 0.00 0.41 -0.38 1.61 1.57 -1.40 -1.74 116.57 116.64 1xnj h LYS 65 Ca 0.30 -0.70 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 1xnj h LYS 65 Cb 0.52 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1xnj h LYS 65 CO -0.90 1.32 -0.21 1.15 -0.57 0.00 0.00 179.45 180.24 1xnj h THR 66 N 0.11 1.28 0.12 -0.16 2.02 -0.66 -1.13 112.91 114.49 1xnj h THR 66 Ca -0.30 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 1xnj h THR 66 Cb 2.10 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1xnj h THR 66 CO 0.20 0.45 -0.06 0.71 0.37 0.00 0.00 175.52 177.20 1xnj h THR 67 N 0.62 1.05 -1.00 3.16 1.35 -0.43 -2.08 112.91 115.58 1xnj h THR 67 Ca 0.08 -0.71 0.12 0.00 -0.55 0.00 0.00 66.41 65.35 1xnj h THR 67 Cb 0.76 1.50 -0.08 0.00 -1.73 0.00 0.00 68.15 68.60 1xnj h THR 67 CO 0.06 0.17 0.63 0.58 -0.25 0.00 0.00 175.52 176.71 1xnj h VAL 68 N -0.49 0.92 0.19 6.82 2.07 -1.40 -1.17 116.25 123.18 1xnj h VAL 68 Ca -0.02 -0.34 -0.32 0.00 0.82 0.00 0.00 66.70 66.85 1xnj h VAL 68 Cb 0.40 -0.15 0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1xnj h VAL 68 CO 0.03 0.18 -1.37 0.77 0.02 0.00 0.00 177.57 177.19 1xnj h SER 69 N 0.98 0.86 -0.55 0.57 4.64 -0.88 0.23 113.55 119.41 1xnj h SER 69 Ca 0.49 -0.86 0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1xnj h SER 69 Cb 0.50 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 1xnj h SER 69 CO -0.26 1.67 0.28 0.24 -0.87 0.00 0.00 176.83 177.89 1xnj h MET 70 N 0.21 0.53 -0.12 4.77 2.86 -1.36 -0.71 114.93 121.11 1xnj h MET 70 Ca -0.23 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.21 1xnj h MET 70 Cb 2.06 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.59 1xnj h MET 70 CO 0.26 0.35 -0.66 0.00 1.06 0.00 0.00 176.91 177.92 1xnj h ALA 71 N 1.30 0.64 -0.29 6.32 0.00 -0.95 -1.22 119.26 125.05 1xnj h ALA 71 Ca 0.24 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xnj h ALA 71 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xnj h ALA 71 CO -0.17 0.73 0.14 1.25 0.00 0.00 0.00 179.25 181.20 1xnj h LEU 72 N 0.33 0.37 -0.03 0.00 5.85 -0.39 -0.25 115.31 121.19 1xnj h LEU 72 Ca -0.02 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1xnj h LEU 72 Cb 1.22 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1xnj h LEU 72 CO 0.12 0.38 0.01 -0.08 -0.34 0.00 0.00 178.44 178.53 1xnj h GLU 73 N 0.34 0.02 -0.47 1.25 4.81 -1.01 0.67 114.58 120.19 1xnj h GLU 73 Ca 0.10 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1xnj h GLU 73 Cb 0.11 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1xnj h GLU 73 CO -0.01 0.02 0.13 1.49 -0.73 0.00 0.00 179.01 179.91 1xnj h GLU 74 N 0.02 0.28 -0.55 1.92 4.81 -1.11 -0.25 114.58 119.70 1xnj h GLU 74 Ca 0.01 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1xnj h GLU 74 Cb 0.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1xnj h GLU 74 CO -0.02 0.18 0.22 -0.92 -0.73 0.00 0.00 179.01 177.75 1xnj h TYR 75 N 0.29 0.84 -0.40 0.92 5.03 -0.40 -0.16 116.97 123.08 1xnj h TYR 75 Ca 0.23 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.45 1xnj h TYR 75 Cb 0.26 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 1xnj h TYR 75 CO -0.18 0.68 0.16 -0.07 -1.32 0.00 0.00 178.16 177.43 1xnj h LEU 76 N 0.75 0.55 -0.83 2.82 3.38 -0.61 -1.49 115.31 119.90 1xnj h LEU 76 Ca 0.18 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xnj h LEU 76 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xnj h LEU 76 CO -0.02 0.57 -0.17 0.58 0.09 0.00 0.00 178.44 179.50 1xnj h VAL 77 N 0.50 1.26 0.00 1.22 2.07 -0.98 0.22 116.25 120.54 1xnj h VAL 77 Ca 0.13 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1xnj h VAL 77 Cb 0.19 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1xnj h VAL 77 CO -0.01 0.41 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 1xnj n HIS 79 N -3.97 1.76 -1.30 0.00 -0.00 -0.60 -4.95 115.22 106.15 1xnj n HIS 79 Ca -0.03 -1.50 -0.10 0.00 -0.00 0.00 0.00 57.72 56.09 1xnj n HIS 79 Cb 0.14 -0.61 -0.04 0.00 -0.00 0.00 0.00 29.99 29.48 1xnj n HIS 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xnj n GLY 80 N -0.90 1.15 3.20 -1.41 0.00 -0.95 -5.01 105.19 101.27 1xnj n GLY 80 Ca 0.39 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1xnj n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnj s ILE 81 N -2.29 3.67 -0.12 -0.61 1.01 0.71 -4.32 121.20 119.24 1xnj s ILE 81 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 60.65 58.59 1xnj s ILE 81 Cb 0.00 -3.32 -0.20 0.00 0.01 0.00 0.00 42.46 38.95 1xnj s ILE 81 CO 0.00 -0.51 1.21 -2.65 0.00 0.00 0.00 174.94 172.99 1xnj n PRO 82 N 4.75 0.05 -3.97 2.79 -0.02 -1.26 -3.93 135.00 133.40 1xnj n PRO 82 Ca -0.08 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 1xnj n PRO 82 Cb 0.42 -1.52 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 1xnj n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xnj s TYR 84 N -3.98 -0.86 -0.19 0.00 5.04 -0.62 -4.92 117.35 111.82 1xnj s TYR 84 Ca 0.19 1.96 -0.03 0.00 -2.44 0.00 0.00 57.07 56.74 1xnj s TYR 84 Cb 0.03 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.70 1xnj s TYR 84 CO 0.02 -0.42 -0.05 0.99 -1.34 0.00 0.00 175.55 174.74 1xnj s THR 85 N 0.75 3.42 -0.21 4.34 2.01 -1.26 0.11 115.64 124.81 1xnj s THR 85 Ca -0.03 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 1xnj s THR 85 Cb -0.05 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1xnj s THR 85 CO -0.05 0.45 0.21 -0.76 -0.69 0.00 0.00 174.62 173.78 1xnj s LEU 86 N 1.09 4.16 0.00 4.42 1.43 0.25 -4.93 118.68 125.11 1xnj s LEU 86 Ca 0.01 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1xnj s LEU 86 Cb -0.15 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1xnj s LEU 86 CO -0.00 0.07 0.07 -0.90 0.23 0.00 0.00 176.35 175.82 1xnj n ASP 87 N 4.03 -0.20 -0.15 2.29 5.68 -1.26 -1.21 116.55 125.73 1xnj n ASP 87 Ca -0.14 -1.32 -0.04 0.00 -0.50 0.00 0.00 54.79 52.79 1xnj n ASP 87 Cb 0.52 0.39 0.02 0.00 -1.14 0.00 0.00 41.12 40.91 1xnj n ASP 87 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1xnj h GLY 88 N 0.33 0.15 2.00 6.12 0.00 -1.98 -2.09 103.07 107.59 1xnj h GLY 88 Ca -0.04 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1xnj h GLY 88 CO 0.06 -0.21 0.00 -0.55 0.00 0.00 0.00 176.54 175.84 1xnj h ASP 89 N -0.10 0.00 -0.00 0.19 3.32 -1.97 -1.66 116.42 116.20 1xnj h ASP 89 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1xnj h ASP 89 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xnj h ASP 89 CO -0.55 0.00 -0.01 -0.46 -1.72 0.00 0.00 179.24 176.49 1xnj n ASN 90 N -2.32 0.69 -0.08 6.45 6.94 -1.05 -4.84 115.26 121.05 1xnj n ASN 90 Ca -0.00 -0.85 -0.15 0.00 -0.02 0.00 0.00 54.58 53.57 1xnj n ASN 90 Cb 0.10 0.36 -0.06 0.00 -2.36 0.00 0.00 39.78 37.82 1xnj n ASN 90 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1xnj n ILE 91 N -0.34 0.85 -0.26 1.53 2.08 -0.81 -4.29 119.36 118.12 1xnj n ILE 91 Ca 0.00 -0.25 0.05 0.00 0.56 0.00 0.00 62.75 63.12 1xnj n ILE 91 Cb 0.02 -1.48 0.19 0.00 -0.75 0.00 0.00 39.64 37.62 1xnj n ILE 91 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1xnj h ARG 92 N -0.37 0.46 -0.46 0.38 2.43 -1.47 0.47 114.38 115.82 1xnj h ARG 92 Ca -0.37 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1xnj h ARG 92 Cb 1.40 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1xnj h ARG 92 CO -0.18 0.30 0.00 1.04 -1.51 0.00 0.00 179.97 179.63 1xnj n GLN 93 N -4.98 3.51 0.00 0.20 1.13 -1.26 -2.70 117.38 113.28 1xnj n GLN 93 Ca 0.15 -2.77 0.00 0.00 -1.94 0.00 0.00 57.00 52.43 1xnj n GLN 93 Cb 0.41 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.94 1xnj n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xnj n GLY 94 N 0.43 0.56 0.28 1.08 0.00 0.01 -4.72 105.19 102.83 1xnj n GLY 94 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 1xnj n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xnj h LEU 95 N 0.00 0.85 -3.78 0.99 5.85 -1.69 -3.00 115.31 114.53 1xnj h LEU 95 Ca 0.00 -0.06 -0.29 0.00 0.84 0.00 0.00 57.88 58.37 1xnj h LEU 95 Cb 0.00 -0.21 -0.18 0.00 0.37 0.00 0.00 40.66 40.64 1xnj h LEU 95 CO 0.00 0.66 0.36 0.59 -0.34 0.00 0.00 178.44 179.70 1xnj n ASN 96 N -4.54 4.42 0.17 1.25 3.02 -0.34 -4.66 115.26 114.58 1xnj n ASN 96 Ca 0.06 -3.36 0.13 0.00 -0.03 0.00 0.00 54.58 51.39 1xnj n ASN 96 Cb 0.05 -0.76 0.37 0.00 -0.61 0.00 0.00 39.78 38.83 1xnj n ASN 96 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1xnj h LYS 97 N 2.12 0.00 -0.64 3.52 2.10 -1.36 -2.37 116.57 119.95 1xnj h LYS 97 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1xnj h LYS 97 Cb 2.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.77 1xnj h LYS 97 CO 0.82 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.54 1xnj n ASN 98 N -2.65 4.83 -4.56 7.07 0.23 -1.26 -4.87 115.26 114.05 1xnj n ASN 98 Ca 0.04 -2.64 -0.31 0.00 -0.53 0.00 0.00 54.58 51.14 1xnj n ASN 98 Cb 0.42 -0.62 -0.11 0.00 -2.08 0.00 0.00 39.78 37.40 1xnj n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xnj s LEU 99 N -2.12 3.00 0.00 -4.53 1.43 -0.89 -5.13 118.68 110.45 1xnj s LEU 99 Ca 0.47 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1xnj s LEU 99 Cb 0.34 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1xnj s LEU 99 CO 0.18 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1xnj n GLY 100 N 1.47 5.43 0.95 -3.19 0.00 -1.26 -5.05 105.19 103.53 1xnj n GLY 100 Ca -0.15 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.36 1xnj n GLY 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xnj n PHE 101 N 0.00 0.13 -1.60 1.61 1.16 -1.26 -4.15 117.46 113.35 1xnj n PHE 101 Ca 0.00 -0.07 -0.37 0.00 -1.87 0.00 0.00 57.45 55.14 1xnj n PHE 101 Cb 0.00 -0.00 0.06 0.00 -1.61 0.00 0.00 39.48 37.93 1xnj n PHE 101 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1xnj n SER 102 N 1.30 1.00 -0.26 5.98 3.41 -1.26 -4.75 113.62 119.04 1xnj n SER 102 Ca 0.15 0.78 0.19 0.00 -0.26 0.00 0.00 58.87 59.73 1xnj n SER 102 Cb 0.57 -1.43 0.50 0.00 -0.26 0.00 0.00 64.21 63.58 1xnj n SER 102 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1xnj h PRO 103 N 0.32 0.41 -0.28 4.33 0.11 -2.00 -2.05 132.00 132.83 1xnj h PRO 103 Ca -0.49 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1xnj h PRO 103 Cb 1.35 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xnj h PRO 103 CO 0.50 0.27 -0.38 0.93 -0.21 0.00 0.00 178.00 179.11 1xnj h GLU 104 N 0.42 0.76 -0.16 1.05 3.07 -1.96 -2.01 114.58 115.75 1xnj h GLU 104 Ca 0.50 -0.44 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 1xnj h GLU 104 Cb 1.22 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1xnj h GLU 104 CO -0.21 1.06 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.79 1xnj h ASP 105 N 0.51 0.28 0.01 1.42 5.19 -1.70 -0.28 116.42 121.84 1xnj h ASP 105 Ca 0.03 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 1xnj h ASP 105 Cb 0.97 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1xnj h ASP 105 CO 0.09 0.53 -0.15 0.03 -3.12 0.00 0.00 179.24 176.61 1xnj h ARG 106 N 0.26 0.09 -0.94 3.56 3.08 -1.24 0.13 114.38 119.32 1xnj h ARG 106 Ca 0.04 -0.11 0.13 0.00 0.07 0.00 0.00 59.98 60.11 1xnj h ARG 106 Cb 0.57 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.51 1xnj h ARG 106 CO 0.04 0.91 -0.45 1.49 -1.07 0.00 0.00 179.97 180.89 1xnj h GLU 107 N -0.68 -0.03 -0.82 0.04 4.81 -1.37 -0.75 114.58 115.78 1xnj h GLU 107 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xnj h GLU 107 Cb 0.97 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1xnj h GLU 107 CO 0.03 -0.02 0.50 1.49 -0.73 0.00 0.00 179.01 180.28 1xnj h GLU 108 N -0.03 1.11 -0.29 1.92 4.57 -0.91 -0.97 114.58 119.98 1xnj h GLU 108 Ca 0.27 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1xnj h GLU 108 Cb 0.54 -0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 28.82 1xnj h GLU 108 CO -0.94 0.78 -0.34 -0.97 -1.18 0.00 0.00 179.01 176.36 1xnj h ASN 109 N 1.13 -1.11 0.21 1.04 -1.24 0.17 0.20 115.58 115.99 1xnj h ASN 109 Ca 0.30 0.18 -0.13 0.00 0.71 0.00 0.00 56.30 57.36 1xnj h ASN 109 Cb -0.05 0.49 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 1xnj h ASN 109 CO -0.06 -0.35 -0.47 0.58 -1.29 0.00 0.00 177.43 175.84 1xnj h VAL 110 N -0.33 1.33 -0.16 2.57 2.07 -0.88 -2.51 116.25 118.34 1xnj h VAL 110 Ca 0.13 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 65.98 1xnj h VAL 110 Cb 0.55 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1xnj h VAL 110 CO -0.47 0.51 0.08 -0.09 0.02 0.00 0.00 177.57 177.62 1xnj h ARG 111 N 0.25 0.16 -0.86 1.57 2.43 -1.05 -1.15 114.38 115.73 1xnj h ARG 111 Ca 0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xnj h ARG 111 Cb 0.93 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 1xnj h ARG 111 CO 0.08 0.11 0.45 0.00 -1.51 0.00 0.00 179.97 179.09 1xnj h ARG 112 N 0.17 1.22 -0.19 0.20 3.08 -0.85 -0.98 114.38 117.02 1xnj h ARG 112 Ca 0.06 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1xnj h ARG 112 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1xnj h ARG 112 CO -0.04 0.91 0.06 0.82 -1.07 0.00 0.00 179.97 180.64 1xnj h ILE 113 N 1.21 1.19 -0.62 2.04 2.04 -1.38 -1.79 117.51 120.21 1xnj h ILE 113 Ca 0.30 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1xnj h ILE 113 Cb 0.07 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1xnj h ILE 113 CO -0.04 0.19 0.34 0.00 0.00 0.00 0.00 178.15 178.64 1xnj h ALA 114 N 0.87 1.43 -0.24 1.87 0.00 -0.93 -1.12 119.26 121.13 1xnj h ALA 114 Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1xnj h ALA 114 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xnj h ALA 114 CO -0.00 0.47 -0.39 0.93 0.00 0.00 0.00 179.25 180.26 1xnj h GLU 115 N 0.86 0.56 -0.16 0.00 4.39 -0.89 -1.37 114.58 117.97 1xnj h GLU 115 Ca 0.22 -0.28 -0.20 0.00 0.34 0.00 0.00 59.36 59.44 1xnj h GLU 115 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xnj h GLU 115 CO -0.04 0.86 -0.71 0.28 -1.16 0.00 0.00 179.01 178.25 1xnj h VAL 116 N 0.47 1.30 -0.42 3.13 2.07 -0.97 -2.20 116.25 119.63 1xnj h VAL 116 Ca 0.04 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 1xnj h VAL 116 Cb 0.88 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1xnj h VAL 116 CO 0.08 0.61 0.20 0.00 0.02 0.00 0.00 177.57 178.48 1xnj h ALA 117 N 0.70 0.54 -0.47 1.67 0.00 -0.97 -1.70 119.26 119.03 1xnj h ALA 117 Ca -0.03 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1xnj h ALA 117 Cb 1.31 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1xnj h ALA 117 CO 0.14 0.11 -0.18 -0.22 0.00 0.00 0.00 179.25 179.10 1xnj h LYS 118 N 0.54 -0.07 -0.98 0.00 3.64 -1.23 0.06 116.57 118.52 1xnj h LYS 118 Ca 0.14 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1xnj h LYS 118 Cb 0.12 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1xnj h LYS 118 CO -0.02 -0.05 0.63 -0.07 -2.27 0.00 0.00 179.45 177.68 1xnj h LEU 119 N -0.08 1.00 -0.24 5.20 3.38 -0.69 0.19 115.31 124.08 1xnj h LEU 119 Ca 0.23 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.01 1xnj h LEU 119 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xnj h LEU 119 CO -0.53 0.64 -0.62 -0.26 0.09 0.00 0.00 178.44 177.76 1xnj h PHE 120 N 1.14 1.09 -0.50 1.13 0.04 -0.40 -0.81 116.94 118.63 1xnj h PHE 120 Ca 0.42 -0.42 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1xnj h PHE 120 Cb 0.18 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1xnj h PHE 120 CO -0.00 1.25 0.17 0.00 -0.60 0.00 0.00 178.31 179.14 1xnj h ALA 121 N 0.63 0.65 -0.36 2.45 0.00 -0.89 -0.98 119.26 120.76 1xnj h ALA 121 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xnj h ALA 121 Cb 1.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1xnj h ALA 121 CO 0.14 0.28 0.15 0.22 0.00 0.00 0.00 179.25 180.04 1xnj h ASP 122 N 0.66 0.45 0.52 0.00 3.58 -0.87 -1.66 116.42 119.11 1xnj h ASP 122 Ca 0.16 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1xnj h ASP 122 Cb 0.24 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1xnj h ASP 122 CO -0.01 0.41 0.00 0.00 -2.88 0.00 0.00 179.24 176.76 1xnj n ALA 123 N -2.48 2.15 -0.13 -0.78 0.00 -0.32 -4.87 120.51 114.09 1xnj n ALA 123 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xnj n ALA 123 Cb 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1xnj n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 124 N 0.72 0.93 3.90 0.00 0.00 -0.62 -4.89 105.19 105.24 1xnj n GLY 124 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1xnj n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnj s LEU 125 N 0.00 4.26 -0.36 0.99 1.02 -0.43 -3.52 118.68 120.64 1xnj s LEU 125 Ca 0.00 0.55 -0.29 0.00 0.02 0.00 0.00 54.13 54.41 1xnj s LEU 125 Cb 0.00 -3.29 0.01 0.00 0.02 0.00 0.00 46.19 42.94 1xnj s LEU 125 CO 0.00 0.03 1.26 -0.69 0.02 0.00 0.00 176.35 176.97 1xnj s VAL 126 N -1.70 4.16 -0.27 -1.59 1.01 -0.69 -2.62 120.40 118.70 1xnj s VAL 126 Ca 0.41 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.53 1xnj s VAL 126 Cb -0.12 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1xnj s VAL 126 CO 0.26 -0.64 0.23 0.00 0.00 0.00 0.00 175.10 174.95 1xnj s ILE 128 N 1.72 3.77 -0.12 0.00 1.01 0.30 0.60 121.20 128.48 1xnj s ILE 128 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1xnj s ILE 128 Cb -0.16 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1xnj s ILE 128 CO 0.10 0.50 -0.17 0.42 0.00 0.00 0.00 174.94 175.79 1xnj s THR 129 N 0.37 2.74 -0.63 2.92 -4.23 0.58 0.87 115.64 118.27 1xnj s THR 129 Ca -0.05 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1xnj s THR 129 Cb -0.14 -2.12 0.16 0.00 1.34 0.00 0.00 72.50 71.74 1xnj s THR 129 CO 0.03 0.54 0.43 -0.55 -0.54 0.00 0.00 174.62 174.53 1xnj s SER 130 N 0.30 4.30 0.05 3.99 0.15 -0.35 -0.79 113.70 121.36 1xnj s SER 130 Ca -0.13 -3.57 0.03 0.00 0.70 0.00 0.00 55.95 52.98 1xnj s SER 130 Cb -0.16 -1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1xnj s SER 130 CO 0.06 -0.13 -0.09 -0.36 1.20 0.00 0.00 173.24 173.93 1xnj s PHE 131 N -1.00 0.76 0.25 3.44 0.40 -1.25 -4.35 117.98 116.23 1xnj s PHE 131 Ca 0.24 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1xnj s PHE 131 Cb -0.08 -0.45 0.51 0.00 0.51 0.00 0.00 43.02 43.51 1xnj s PHE 131 CO -0.13 -0.07 1.66 0.82 0.70 0.00 0.00 175.22 178.20 1xnj h ILE 132 N 4.34 0.42 -6.69 0.64 2.04 -1.85 -3.38 117.51 113.03 1xnj h ILE 132 Ca -0.36 -0.07 -0.49 0.00 1.00 0.00 0.00 64.86 64.94 1xnj h ILE 132 Cb 1.20 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1xnj h ILE 132 CO 0.43 0.04 -1.00 -1.54 0.00 0.00 0.00 178.15 176.07 1xnj n SER 133 N -5.23 -4.87 0.23 1.72 3.41 -1.26 -1.27 113.62 106.35 1xnj n SER 133 Ca 0.15 -1.01 0.10 0.00 -0.26 0.00 0.00 58.87 57.85 1xnj n SER 133 Cb 0.51 -1.99 0.53 0.00 -0.26 0.00 0.00 64.21 63.00 1xnj n SER 133 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xnj h PRO 134 N -0.98 0.00 -5.39 4.33 0.13 -1.93 -3.44 132.00 124.71 1xnj h PRO 134 Ca -0.62 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 63.88 1xnj h PRO 134 Cb 1.38 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.34 1xnj h PRO 134 CO 0.41 0.22 -0.58 0.71 -0.23 0.00 0.00 178.00 178.53 1xnj s TYR 135 N -3.87 3.22 0.19 1.56 1.51 -1.26 -0.47 117.35 118.24 1xnj s TYR 135 Ca -0.01 0.05 -0.25 0.00 -1.01 0.00 0.00 57.07 55.86 1xnj s TYR 135 Cb 0.12 -2.01 0.08 0.00 -0.11 0.00 0.00 41.96 40.03 1xnj s TYR 135 CO 0.63 0.20 1.55 1.15 -1.11 0.00 0.00 175.55 177.96 1xnj h THR 136 N 4.77 0.00 -0.81 -0.71 2.02 -1.86 -2.39 112.91 113.94 1xnj h THR 136 Ca -0.39 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.93 1xnj h THR 136 Cb 1.18 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.45 1xnj h THR 136 CO 0.67 0.00 -0.36 -0.61 0.37 0.00 0.00 175.52 175.59 1xnj h GLN 137 N -0.01 -0.07 0.01 6.66 5.75 -1.98 0.17 115.11 125.65 1xnj h GLN 137 Ca 0.25 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1xnj h GLN 137 Cb 0.50 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1xnj h GLN 137 CO -0.96 -0.05 -0.01 -0.44 -2.65 0.00 0.00 178.83 174.73 1xnj h ASP 138 N -0.07 -0.02 -0.20 -0.69 3.45 -1.87 -0.47 116.42 116.55 1xnj h ASP 138 Ca 0.30 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.71 1xnj h ASP 138 Cb 0.58 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 1xnj h ASP 138 CO -0.85 0.02 0.06 0.03 -1.57 0.00 0.00 179.24 176.93 1xnj h ARG 139 N -0.05 0.30 -0.83 3.56 3.08 -0.95 -1.17 114.38 118.32 1xnj h ARG 139 Ca -0.00 -0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.15 1xnj h ARG 139 Cb 0.05 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1xnj h ARG 139 CO 0.00 0.40 0.38 -0.91 -1.07 0.00 0.00 179.97 178.77 1xnj h ASN 140 N 0.15 0.39 -0.27 7.04 -0.26 -0.73 0.08 115.58 121.98 1xnj h ASN 140 Ca 0.06 0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 1xnj h ASN 140 Cb 0.22 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1xnj h ASN 140 CO -0.00 0.12 0.04 -1.13 -1.06 0.00 0.00 177.43 175.40 1xnj h ASN 141 N 0.50 0.42 -0.66 5.81 -0.00 -0.84 -1.15 115.58 119.65 1xnj h ASN 141 Ca 0.48 -0.26 0.04 0.00 -0.00 0.00 0.00 56.30 56.56 1xnj h ASN 141 Cb 0.77 -0.11 -0.05 0.00 -0.00 0.00 0.00 38.32 38.92 1xnj h ASN 141 CO -0.43 0.58 0.39 0.00 -0.00 0.00 0.00 177.43 177.97 1xnj h ALA 142 N 0.86 0.88 0.30 1.57 0.00 -0.76 0.43 119.26 122.53 1xnj h ALA 142 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xnj h ALA 142 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xnj h ALA 142 CO 0.01 0.11 -0.38 -0.09 0.00 0.00 0.00 179.25 178.89 1xnj h ARG 143 N 0.74 -0.70 -0.90 0.00 2.43 -0.81 -2.86 114.38 112.27 1xnj h ARG 143 Ca 0.28 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.64 1xnj h ARG 143 Cb 0.10 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 1xnj h ARG 143 CO -0.14 -0.47 0.58 0.37 -1.51 0.00 0.00 179.97 178.80 1xnj h GLN 144 N -0.73 0.70 -0.50 0.20 5.75 -0.72 0.56 115.11 120.38 1xnj h GLN 144 Ca -0.01 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1xnj h GLN 144 Cb 0.68 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1xnj h GLN 144 CO -0.12 0.47 0.33 0.82 -2.65 0.00 0.00 178.83 177.68 1xnj h ILE 145 N 0.73 1.03 0.00 2.39 2.04 -0.71 -2.31 117.51 120.67 1xnj h ILE 145 Ca 0.46 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 1xnj h ILE 145 Cb 0.70 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1xnj h ILE 145 CO -0.21 0.10 -0.27 0.45 0.00 0.00 0.00 178.15 178.21 1xnj h HIS 146 N 0.52 0.00 0.00 1.37 3.86 0.12 -3.18 115.15 117.84 1xnj h HIS 146 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1xnj h HIS 146 Cb 0.16 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1xnj h HIS 146 CO -0.00 0.80 -0.06 0.93 0.86 0.00 0.00 177.93 180.46 1xnj h GLU 147 N -1.00 0.00 0.00 2.45 5.08 -0.61 -0.20 114.58 120.30 1xnj h GLU 147 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xnj h GLU 147 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xnj h GLU 147 CO -0.04 0.06 -0.57 0.41 -1.00 0.00 0.00 179.01 177.87 1xnj n GLY 148 N -0.35 -1.32 0.80 -3.84 0.00 -0.87 -2.84 105.19 96.78 1xnj n GLY 148 Ca -0.01 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1xnj n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj n ALA 149 N -1.65 2.95 -3.80 4.61 0.00 -0.42 -4.99 120.51 117.21 1xnj n ALA 149 Ca 0.04 -2.38 -0.28 0.00 0.00 0.00 0.00 53.44 50.82 1xnj n ALA 149 Cb 0.38 -0.68 0.04 0.00 0.00 0.00 0.00 19.45 19.19 1xnj n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xnj n SER 150 N -0.64 -5.23 -4.48 0.00 7.64 -0.96 -5.00 113.62 104.94 1xnj n SER 150 Ca 0.21 -0.69 -0.34 0.00 1.01 0.00 0.00 58.87 59.06 1xnj n SER 150 Cb 0.87 -4.16 -0.12 0.00 -1.01 0.00 0.00 64.21 59.79 1xnj n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xnj s LEU 151 N -7.25 3.18 0.37 -3.43 1.43 -0.22 -5.00 118.68 107.76 1xnj s LEU 151 Ca 0.63 -0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 53.30 1xnj s LEU 151 Cb -0.31 -1.76 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 1xnj s LEU 151 CO 0.78 0.17 1.43 -2.84 0.23 0.00 0.00 176.35 176.12 1xnj s PRO 152 N 0.36 4.13 -0.04 1.29 0.02 -1.26 -3.52 135.00 135.98 1xnj s PRO 152 Ca -0.05 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1xnj s PRO 152 Cb -0.14 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.44 1xnj s PRO 152 CO 0.03 -0.47 -0.06 0.12 -0.33 0.00 0.00 177.00 176.29 1xnj s PHE 153 N -1.14 0.85 -0.27 6.54 5.36 -1.26 -1.96 117.98 126.10 1xnj s PHE 153 Ca 0.53 -0.25 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1xnj s PHE 153 Cb -0.44 -0.71 0.07 0.00 -0.34 0.00 0.00 43.02 41.60 1xnj s PHE 153 CO 0.60 -0.19 -0.05 -0.06 -1.46 0.00 0.00 175.22 174.05 1xnj s PHE 154 N 0.79 3.00 -0.40 10.12 0.40 -0.55 -5.00 117.98 126.35 1xnj s PHE 154 Ca -0.12 -2.24 -0.22 0.00 -0.60 0.00 0.00 56.93 53.75 1xnj s PHE 154 Cb -0.14 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.42 1xnj s PHE 154 CO 0.01 -0.86 0.75 -2.00 0.70 0.00 0.00 175.22 173.82 1xnj s GLU 155 N 1.18 3.58 -0.28 0.44 2.12 -1.26 0.05 118.70 124.53 1xnj s GLU 155 Ca -0.03 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 1xnj s GLU 155 Cb -0.19 -3.86 0.03 0.00 0.26 0.00 0.00 34.13 30.37 1xnj s GLU 155 CO -0.07 -0.93 -0.00 0.08 -0.54 0.00 0.00 175.26 173.80 1xnj s VAL 156 N 3.07 3.15 -0.73 3.70 1.01 0.32 -2.06 120.40 128.87 1xnj s VAL 156 Ca 0.29 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1xnj s VAL 156 Cb -0.13 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.62 1xnj s VAL 156 CO 0.19 0.03 1.04 0.12 0.00 0.00 0.00 175.10 176.47 1xnj s PHE 157 N 1.33 2.73 -0.84 5.22 5.36 0.01 -1.50 117.98 130.28 1xnj s PHE 157 Ca -0.02 -0.69 -0.25 0.00 -0.96 0.00 0.00 56.93 55.01 1xnj s PHE 157 Cb -0.18 -4.33 -0.02 0.00 -0.34 0.00 0.00 43.02 38.15 1xnj s PHE 157 CO -0.01 -1.66 1.79 0.08 -1.46 0.00 0.00 175.22 173.95 1xnj s VAL 158 N 3.95 3.53 -0.39 3.12 1.01 0.12 -1.46 120.40 130.27 1xnj s VAL 158 Ca 0.26 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1xnj s VAL 158 Cb -0.13 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1xnj s VAL 158 CO 0.06 -1.18 0.27 -0.62 0.00 0.00 0.00 175.10 173.62 1xnj s ASP 159 N 7.18 5.99 -0.33 3.32 3.68 0.18 -4.29 116.67 132.40 1xnj s ASP 159 Ca 0.62 -0.89 0.01 0.00 2.13 0.00 0.00 52.55 54.42 1xnj s ASP 159 Cb -0.07 -2.12 0.15 0.00 -1.45 0.00 0.00 42.92 39.43 1xnj s ASP 159 CO 0.04 -0.42 0.34 0.00 0.13 0.00 0.00 175.17 175.27 1xnj s ALA 160 N 1.64 -0.50 0.15 3.66 0.00 -1.26 -3.77 121.76 121.68 1xnj s ALA 160 Ca 0.04 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1xnj s ALA 160 Cb -0.19 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.89 1xnj s ALA 160 CO 0.09 -1.92 1.69 -2.14 0.00 0.00 0.00 175.76 173.48 1xnj s PRO 161 N 1.93 4.17 0.00 0.00 0.02 -1.26 -4.81 135.00 135.06 1xnj s PRO 161 Ca 0.13 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1xnj s PRO 161 Cb -0.14 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1xnj s PRO 161 CO -0.19 -0.72 0.00 -0.85 -0.33 0.00 0.00 177.00 174.91 1xnj n GLU 191 N 4.70 0.00 -1.68 5.54 0.28 -1.26 -5.10 120.64 123.13 1xnj n GLU 191 Ca 0.16 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.70 1xnj n GLU 191 Cb 0.38 -1.11 -0.03 0.00 1.43 0.00 0.00 31.44 32.10 1xnj n GLU 191 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1xnj n TYR 192 N 0.83 2.28 -3.74 -1.84 4.19 -1.26 -4.81 117.16 112.80 1xnj n TYR 192 Ca 0.00 0.33 -0.38 0.00 3.31 0.00 0.00 57.90 61.16 1xnj n TYR 192 Cb 0.00 -2.52 -0.12 0.00 0.49 0.00 0.00 39.34 37.20 1xnj n TYR 192 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1xnj s GLU 193 N 0.32 2.46 0.33 2.98 2.02 0.38 -5.05 118.70 122.15 1xnj s GLU 193 Ca 0.74 -1.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1xnj s GLU 193 Cb -0.65 -3.52 -0.12 0.00 0.10 0.00 0.00 34.13 29.94 1xnj s GLU 193 CO 0.43 -0.82 1.47 1.63 0.02 0.00 0.00 175.26 177.99 1xnj n LYS 194 N 4.76 2.50 -1.67 1.61 5.02 -1.26 -4.49 118.16 124.63 1xnj n LYS 194 Ca -0.10 0.88 -0.45 0.00 -2.02 0.00 0.00 58.31 56.62 1xnj n LYS 194 Cb 0.43 -2.59 -0.03 0.00 -0.02 0.00 0.00 35.03 32.82 1xnj n LYS 194 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1xnj n PRO 195 N 1.15 2.09 0.06 1.97 -0.02 -1.26 -4.95 135.00 134.03 1xnj n PRO 195 Ca 0.05 0.75 -0.15 0.00 -2.02 0.00 0.00 63.50 62.13 1xnj n PRO 195 Cb 0.37 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 1xnj n PRO 195 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xnj h GLU 196 N 4.94 0.47 -2.02 -0.52 5.08 -2.03 -3.39 114.58 117.11 1xnj h GLU 196 Ca -0.45 -0.52 -0.51 0.00 -1.00 0.00 0.00 59.36 56.89 1xnj h GLU 196 Cb 1.27 0.15 -0.40 0.00 0.50 0.00 0.00 28.75 30.26 1xnj h GLU 196 CO 0.81 1.16 -1.14 0.00 -1.00 0.00 0.00 179.01 178.85 1xnj n ALA 197 N -2.56 2.29 -1.78 3.43 0.00 -1.26 -5.10 120.51 115.53 1xnj n ALA 197 Ca -0.08 -3.51 -0.32 0.00 0.00 0.00 0.00 53.44 49.53 1xnj n ALA 197 Cb 0.85 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1xnj n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xnj s PRO 198 N -2.23 3.72 0.28 0.00 0.04 -1.26 -4.95 135.00 130.59 1xnj s PRO 198 Ca 0.39 1.05 0.14 0.00 0.04 0.00 0.00 61.00 62.63 1xnj s PRO 198 Cb 0.30 -2.10 0.21 0.00 0.04 0.00 0.00 34.50 32.95 1xnj s PRO 198 CO -0.09 -0.46 1.51 0.93 0.04 0.00 0.00 177.00 178.92 1xnj h GLU 199 N 0.75 0.00 -3.26 4.56 3.07 -1.80 -3.45 114.58 114.45 1xnj h GLU 199 Ca -0.47 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.21 1xnj h GLU 199 Cb 1.20 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.85 1xnj h GLU 199 CO 0.60 0.57 -0.49 -1.17 -1.40 0.00 0.00 179.01 177.12 1xnj s LEU 200 N -6.75 1.24 -0.32 1.33 2.96 -1.18 -5.05 118.68 110.91 1xnj s LEU 200 Ca 0.02 0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1xnj s LEU 200 Cb 0.09 0.67 0.06 0.00 0.50 0.00 0.00 46.19 47.51 1xnj s LEU 200 CO 0.74 -0.07 0.03 -0.69 -1.32 0.00 0.00 176.35 175.04 1xnj s VAL 201 N 0.13 3.08 -0.41 1.68 1.01 -1.26 -0.81 120.40 123.83 1xnj s VAL 201 Ca -0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.37 1xnj s VAL 201 Cb -0.02 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1xnj s VAL 201 CO 0.00 -0.18 0.41 -0.76 0.00 0.00 0.00 175.10 174.58 1xnj s LEU 202 N 1.25 4.82 -1.20 3.92 1.43 -0.54 -4.99 118.68 123.37 1xnj s LEU 202 Ca -0.03 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1xnj s LEU 202 Cb -0.20 -2.36 0.19 0.00 0.03 0.00 0.00 46.19 43.85 1xnj s LEU 202 CO -0.01 -0.53 1.44 0.29 0.23 0.00 0.00 176.35 177.77 1xnj n LYS 203 N 5.53 3.45 0.25 1.70 4.76 -1.26 -0.64 118.16 131.95 1xnj n LYS 203 Ca -0.08 -3.92 0.11 0.00 -2.87 0.00 0.00 58.31 51.55 1xnj n LYS 203 Cb 0.48 -2.94 0.64 0.00 -1.84 0.00 0.00 35.03 31.37 1xnj n LYS 203 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1xnj h THR 204 N 4.36 0.69 0.00 -0.18 1.35 -1.81 -1.11 112.91 116.20 1xnj h THR 204 Ca 0.30 -0.67 -0.04 0.00 -0.55 0.00 0.00 66.41 65.46 1xnj h THR 204 Cb 0.84 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1xnj h THR 204 CO 1.26 0.16 -0.17 0.44 -0.25 0.00 0.00 175.52 176.96 1xnj h ASP 205 N 0.00 0.00 0.00 5.36 3.45 -1.89 -3.36 116.42 119.98 1xnj h ASP 205 Ca -0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.41 1xnj h ASP 205 Cb 0.41 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1xnj h ASP 205 CO 0.02 0.17 -1.51 -0.24 -1.57 0.00 0.00 179.24 176.11 1xnj n SER 206 N -3.37 2.66 -4.39 6.45 2.88 -0.51 -5.00 113.62 112.35 1xnj n SER 206 Ca -0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1xnj n SER 206 Cb 0.38 1.28 -0.10 0.00 -0.75 0.00 0.00 64.21 65.02 1xnj n SER 206 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnj s ASP 208 N -3.39 3.64 0.13 0.00 3.84 -1.26 -4.58 116.67 115.06 1xnj s ASP 208 Ca 0.27 1.28 -0.17 0.00 -0.00 0.00 0.00 52.55 53.93 1xnj s ASP 208 Cb 0.02 -1.95 -0.01 0.00 -1.38 0.00 0.00 42.92 39.59 1xnj s ASP 208 CO 0.10 -2.51 1.73 0.58 -0.00 0.00 0.00 175.17 175.07 1xnj h VAL 209 N -1.46 1.15 -0.07 2.11 2.07 -1.97 -2.44 116.25 115.64 1xnj h VAL 209 Ca -0.50 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1xnj h VAL 209 Cb 1.30 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1xnj h VAL 209 CO 0.58 0.16 0.05 0.78 0.02 0.00 0.00 177.57 179.16 1xnj h ASN 210 N 0.47 0.00 0.14 0.57 2.35 -1.97 0.10 115.58 117.23 1xnj h ASN 210 Ca 0.13 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.59 1xnj h ASN 210 Cb 0.08 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.48 1xnj h ASN 210 CO -0.02 0.00 -1.19 0.44 -1.65 0.00 0.00 177.43 175.01 1xnj h ASP 211 N 0.00 0.85 0.00 5.81 3.32 -1.85 -2.07 116.42 122.48 1xnj h ASP 211 Ca 0.03 -0.76 0.01 0.00 0.02 0.00 0.00 57.03 56.34 1xnj h ASP 211 Cb 0.14 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1xnj h ASP 211 CO -0.00 1.57 -0.07 0.00 -1.72 0.00 0.00 179.24 179.01 1xnj h VAL 213 N -0.13 1.22 -0.59 0.00 2.07 -0.98 -1.05 116.25 116.80 1xnj h VAL 213 Ca 0.03 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1xnj h VAL 213 Cb 0.16 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1xnj h VAL 213 CO -0.07 0.30 0.28 -0.61 0.02 0.00 0.00 177.57 177.49 1xnj h GLN 214 N 0.60 0.51 -0.53 1.57 -0.00 -1.32 -0.76 115.11 115.18 1xnj h GLN 214 Ca 0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 1xnj h GLN 214 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.71 1xnj h GLN 214 CO 0.01 0.34 0.28 1.96 0.00 0.00 0.00 178.83 181.42 1xnj h GLN 215 N 0.53 0.72 -0.20 1.69 4.20 -0.46 0.24 115.11 121.83 1xnj h GLN 215 Ca 0.28 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 1xnj h GLN 215 Cb 0.23 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xnj h GLN 215 CO -0.21 0.54 -0.42 0.28 -0.67 0.00 0.00 178.83 178.35 1xnj h VAL 216 N 0.73 1.32 -0.69 -0.54 2.07 -0.92 -2.53 116.25 115.70 1xnj h VAL 216 Ca 0.19 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1xnj h VAL 216 Cb 0.04 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1xnj h VAL 216 CO -0.03 0.51 0.32 0.58 0.02 0.00 0.00 177.57 178.97 1xnj h VAL 217 N 0.33 1.23 -0.28 2.57 2.07 -0.89 -0.53 116.25 120.75 1xnj h VAL 217 Ca 0.00 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1xnj h VAL 217 Cb 1.03 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1xnj h VAL 217 CO 0.09 0.28 0.14 -0.33 0.02 0.00 0.00 177.57 177.77 1xnj h GLU 218 N 0.96 0.29 -0.81 1.57 5.08 -0.93 -0.60 114.58 120.14 1xnj h GLU 218 Ca 0.23 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1xnj h GLU 218 Cb 0.14 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1xnj h GLU 218 CO -0.03 0.19 0.42 1.25 -1.00 0.00 0.00 179.01 179.85 1xnj h LEU 219 N 0.30 1.02 -1.19 1.33 5.85 -0.95 -0.22 115.31 121.46 1xnj h LEU 219 Ca 0.12 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1xnj h LEU 219 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1xnj h LEU 219 CO -0.08 0.84 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.57 1xnj h LEU 220 N 1.14 0.00 -0.07 2.25 3.38 -0.56 -1.99 115.31 119.46 1xnj h LEU 220 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 1xnj h LEU 220 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xnj h LEU 220 CO -0.04 0.23 -0.66 1.56 0.09 0.00 0.00 178.44 179.61 1xnj h GLN 221 N 0.00 0.58 -0.91 1.13 4.20 0.43 0.22 115.11 120.76 1xnj h GLN 221 Ca -0.00 -0.52 0.02 0.00 0.06 0.00 0.00 58.65 58.20 1xnj h GLN 221 Cb 0.71 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 1xnj h GLN 221 CO 0.03 1.15 0.60 1.49 -0.67 0.00 0.00 178.83 181.43 1xnj h GLU 222 N 0.19 1.18 -0.64 1.46 4.81 -0.72 -2.60 114.58 118.26 1xnj h GLU 222 Ca -0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xnj h GLU 222 Cb 1.32 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1xnj h GLU 222 CO 0.13 0.78 0.00 0.54 -0.73 0.00 0.00 179.01 179.74 1xnj n ARG 223 N -4.41 3.67 -3.31 1.92 5.12 -0.78 -4.95 116.66 113.93 1xnj n ARG 223 Ca 0.11 -2.53 -0.20 0.00 -1.93 0.00 0.00 57.85 53.29 1xnj n ARG 223 Cb 0.04 -1.92 0.06 0.00 -1.16 0.00 0.00 32.46 29.48 1xnj n ARG 223 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1xnj n ASP 224 N 0.82 -5.71 -0.12 0.55 8.00 -0.98 -4.92 116.55 114.18 1xnj n ASP 224 Ca 0.23 -0.41 -0.25 0.00 0.71 0.00 0.00 54.79 55.07 1xnj n ASP 224 Cb 0.87 -4.38 -0.09 0.00 -0.02 0.00 0.00 41.12 37.50 1xnj n ASP 224 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xnj n ILE 225 N -4.58 1.52 -3.64 0.53 2.08 0.69 -4.86 119.36 111.11 1xnj n ILE 225 Ca -0.02 -0.23 -0.37 0.00 0.56 0.00 0.00 62.75 62.69 1xnj n ILE 225 Cb 0.56 -1.98 -0.10 0.00 -0.75 0.00 0.00 39.64 37.37 1xnj n ILE 225 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1xnj s VAL 226 N -2.51 5.26 0.35 1.39 1.01 -0.70 -4.89 120.40 120.32 1xnj s VAL 226 Ca -0.35 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 1xnj s VAL 226 Cb 0.11 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1xnj s VAL 226 CO 0.50 0.30 1.52 -2.65 0.00 0.00 0.00 175.10 174.76 1xnj n PRO 227 N 4.69 2.67 0.10 2.72 -0.02 -1.26 -3.96 135.00 139.95 1xnj n PRO 227 Ca -0.15 0.94 0.07 0.00 -2.02 0.00 0.00 63.50 62.34 1xnj n PRO 227 Cb 0.52 -2.68 0.35 0.00 -0.02 0.00 0.00 33.50 31.67 1xnj n PRO 227 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xnj n VAL 228 N 0.98 1.33 0.07 -1.45 0.31 -1.26 -4.35 118.33 113.96 1xnj n VAL 228 Ca 0.04 0.65 0.00 0.00 -0.01 0.00 0.00 64.34 65.02 1xnj n VAL 228 Cb 0.38 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1xnj n VAL 228 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xnj n ASP 229 N -1.95 -0.01 -2.68 4.52 9.92 -1.26 -5.06 116.55 120.04 1xnj n ASP 229 Ca -0.01 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1xnj n ASP 229 Cb 0.05 0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1xnj n ASP 229 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xnj n ALA 230 N -3.02 0.00 -1.77 2.24 0.00 -1.26 -4.93 120.51 111.77 1xnj n ALA 230 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1xnj n ALA 230 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1xnj n ALA 230 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xnj s SER 231 N 0.00 7.00 -0.18 0.00 1.04 -1.26 -5.01 113.70 115.28 1xnj s SER 231 Ca 0.00 2.24 -0.16 0.00 0.48 0.00 0.00 55.95 58.51 1xnj s SER 231 Cb 0.00 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 1xnj s SER 231 CO 0.00 -0.33 0.64 0.00 0.98 0.00 0.00 173.24 174.53 1xnj n TYR 232 N 0.68 0.54 -1.95 5.02 9.36 -1.26 -4.89 117.16 124.67 1xnj n TYR 232 Ca 0.01 0.36 -0.42 0.00 3.32 0.00 0.00 57.90 61.17 1xnj n TYR 232 Cb 0.46 -0.80 -0.03 0.00 -0.63 0.00 0.00 39.34 38.34 1xnj n TYR 232 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1xnj s GLU 233 N 1.49 4.22 0.02 2.98 2.12 -1.26 -4.88 118.70 123.39 1xnj s GLU 233 Ca 0.39 2.35 -0.30 0.00 0.36 0.00 0.00 54.97 57.78 1xnj s GLU 233 Cb -0.53 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1xnj s GLU 233 CO 0.27 -0.59 0.96 0.08 -0.54 0.00 0.00 175.26 175.44 1xnj s VAL 234 N 1.07 4.79 -0.45 3.70 1.01 -1.26 -4.99 120.40 124.26 1xnj s VAL 234 Ca 0.69 2.02 -0.10 0.00 0.00 0.00 0.00 61.98 64.59 1xnj s VAL 234 Cb -0.43 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 31.74 1xnj s VAL 234 CO 0.32 0.21 0.32 -0.75 0.00 0.00 0.00 175.10 175.20 1xnj s LYS 235 N 0.73 2.64 0.43 2.72 2.20 -1.26 -5.04 119.74 122.16 1xnj s LYS 235 Ca 0.50 -1.56 -0.23 0.00 -0.36 0.00 0.00 55.97 54.32 1xnj s LYS 235 Cb -0.21 -3.91 -0.09 0.00 -1.51 0.00 0.00 37.83 32.11 1xnj s LYS 235 CO 0.28 -1.07 1.05 -1.21 -0.36 0.00 0.00 175.35 174.05 1xnj s GLU 236 N 1.45 4.02 0.00 4.03 2.02 -1.26 -4.05 118.70 124.91 1xnj s GLU 236 Ca 0.04 1.48 0.16 0.00 0.02 0.00 0.00 54.97 56.66 1xnj s GLU 236 Cb -0.25 -2.39 0.35 0.00 0.10 0.00 0.00 34.13 31.95 1xnj s GLU 236 CO 0.02 -0.26 1.27 1.28 0.02 0.00 0.00 175.26 177.58 1xnj n LEU 237 N -0.39 3.06 -4.77 1.80 4.77 0.05 -4.94 117.00 116.58 1xnj n LEU 237 Ca 0.07 -1.72 -0.39 0.00 -0.03 0.00 0.00 56.01 53.94 1xnj n LEU 237 Cb 0.50 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1xnj n LEU 237 CO 0.43 0.72 0.88 -0.31 -1.33 0.00 0.00 177.39 177.78 1xnj s TYR 238 N -1.10 3.10 0.35 -1.77 4.12 -1.21 -1.34 117.35 119.51 1xnj s TYR 238 Ca 0.29 1.53 -0.28 0.00 0.02 0.00 0.00 57.07 58.63 1xnj s TYR 238 Cb 0.16 -3.47 -0.10 0.00 -1.52 0.00 0.00 41.96 37.04 1xnj s TYR 238 CO 0.22 -1.42 1.26 0.54 0.02 0.00 0.00 175.55 176.17 1xnj s VAL 239 N -1.31 2.85 0.66 0.71 0.11 0.83 -4.78 120.40 119.47 1xnj s VAL 239 Ca 0.54 0.81 -0.17 0.00 -2.93 0.00 0.00 61.98 60.22 1xnj s VAL 239 Cb -0.34 -3.50 -0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1xnj s VAL 239 CO 0.43 0.16 1.24 -2.84 -3.33 0.00 0.00 175.10 170.76 1xnj s PRO 240 N -1.93 2.53 0.51 1.54 0.02 -1.26 -4.80 135.00 131.61 1xnj s PRO 240 Ca 0.51 1.89 0.21 0.00 0.02 0.00 0.00 61.00 63.63 1xnj s PRO 240 Cb -0.37 -1.87 1.35 0.00 0.02 0.00 0.00 34.50 33.63 1xnj s PRO 240 CO 0.49 -1.56 2.11 0.93 -0.33 0.00 0.00 177.00 178.63 1xnj h GLU 241 N 0.36 0.00 0.00 5.54 3.07 -1.99 -1.34 114.58 120.21 1xnj h GLU 241 Ca -0.50 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.33 1xnj h GLU 241 Cb 1.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1xnj h GLU 241 CO 0.53 0.09 -0.17 -2.95 -1.40 0.00 0.00 179.01 175.10 1xnj h ASN 242 N 0.00 0.00 -0.39 1.42 7.08 -2.03 -2.95 115.58 118.71 1xnj h ASN 242 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1xnj h ASN 242 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 1xnj h ASN 242 CO 0.01 0.17 0.00 0.29 -2.08 0.00 0.00 177.43 175.82 1xnj n LYS 243 N -3.45 2.37 0.17 4.14 5.02 -0.51 -4.69 118.16 121.21 1xnj n LYS 243 Ca -0.01 -2.08 -0.13 0.00 -2.02 0.00 0.00 58.31 54.07 1xnj n LYS 243 Cb 0.35 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1xnj n LYS 243 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xnj h LEU 244 N 3.97 -0.38 -0.75 -0.35 5.85 -1.53 -0.87 115.31 121.26 1xnj h LEU 244 Ca 0.00 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1xnj h LEU 244 Cb 0.88 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1xnj h LEU 244 CO 0.00 -0.00 0.49 -0.74 -0.34 0.00 0.00 178.44 177.85 1xnj h HIS 245 N -0.81 0.92 -0.84 1.25 2.76 -1.83 0.97 115.15 117.57 1xnj h HIS 245 Ca -0.05 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.21 1xnj h HIS 245 Cb 0.52 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 29.11 1xnj h HIS 245 CO 0.02 0.56 0.52 -0.07 -1.30 0.00 0.00 177.93 177.66 1xnj h LEU 246 N 0.98 0.81 -0.36 0.26 3.38 -1.86 -0.68 115.31 117.84 1xnj h LEU 246 Ca 0.28 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 1xnj h LEU 246 Cb -0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xnj h LEU 246 CO -0.08 0.52 -0.83 0.00 0.09 0.00 0.00 178.44 178.14 1xnj h ALA 247 N 1.40 0.62 -0.63 1.53 0.00 0.69 0.17 119.26 123.03 1xnj h ALA 247 Ca 0.36 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1xnj h ALA 247 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xnj h ALA 247 CO -0.17 0.96 0.14 0.87 0.00 0.00 0.00 179.25 181.05 1xnj h LYS 248 N 0.05 1.00 -0.16 0.00 1.57 0.13 0.29 116.57 119.45 1xnj h LYS 248 Ca -0.02 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1xnj h LYS 248 Cb 1.45 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1xnj h LYS 248 CO 0.12 0.89 -0.02 1.15 -0.57 0.00 0.00 179.45 181.01 1xnj h THR 249 N 0.95 1.27 -0.83 -0.16 2.02 -0.60 -2.72 112.91 112.84 1xnj h THR 249 Ca 0.20 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.52 1xnj h THR 249 Cb 0.35 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 1xnj h THR 249 CO 0.00 0.28 0.50 -0.78 0.37 0.00 0.00 175.52 175.89 1xnj h ASP 250 N 0.02 0.77 -0.55 4.18 3.58 -0.43 -1.94 116.42 122.05 1xnj h ASP 250 Ca 0.04 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.62 1xnj h ASP 250 Cb 0.43 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1xnj h ASP 250 CO 0.01 0.47 0.37 0.00 -2.88 0.00 0.00 179.24 177.22 1xnj h ALA 251 N 1.42 2.11 -0.71 -0.78 0.00 -0.74 -2.15 119.26 118.41 1xnj h ALA 251 Ca 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1xnj h ALA 251 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xnj h ALA 251 CO -0.20 -0.24 0.29 1.49 0.00 0.00 0.00 179.25 180.60 1xnj h GLU 252 N 0.31 1.05 0.00 0.00 4.57 -1.04 -2.80 114.58 116.66 1xnj h GLU 252 Ca 0.26 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1xnj h GLU 252 Cb 0.60 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1xnj h GLU 252 CO -0.06 0.85 0.00 0.25 -1.18 0.00 0.00 179.01 178.87 1xnj n THR 253 N -4.30 0.85 -3.98 0.32 -2.24 -0.81 -4.92 114.28 99.21 1xnj n THR 253 Ca 0.06 0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.84 1xnj n THR 253 Cb 0.17 -1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 1xnj n THR 253 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xnj s LEU 254 N -2.66 3.72 1.01 3.22 1.43 -1.06 -5.10 118.68 119.23 1xnj s LEU 254 Ca 0.09 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1xnj s LEU 254 Cb 0.07 -2.29 0.19 0.00 0.03 0.00 0.00 46.19 44.20 1xnj s LEU 254 CO 0.17 -0.18 1.08 -2.84 0.23 0.00 0.00 176.35 174.81 1xnj s PRO 255 N -3.91 0.34 0.05 1.29 0.02 -1.26 -4.72 135.00 126.81 1xnj s PRO 255 Ca 0.36 0.79 0.05 0.00 0.02 0.00 0.00 61.00 62.22 1xnj s PRO 255 Cb -0.07 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 1xnj s PRO 255 CO 0.26 -2.86 -0.14 0.00 -0.33 0.00 0.00 177.00 173.93 1xnj s ALA 256 N -2.79 1.12 -0.09 -1.55 0.00 -1.26 -0.65 121.76 116.55 1xnj s ALA 256 Ca 0.66 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1xnj s ALA 256 Cb -0.21 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1xnj s ALA 256 CO 0.59 0.19 -0.12 -1.17 0.00 0.00 0.00 175.76 175.26 1xnj s LEU 257 N -1.32 1.54 0.10 0.00 2.96 0.11 -4.90 118.68 117.16 1xnj s LEU 257 Ca -0.00 -0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.30 1xnj s LEU 257 Cb -0.08 -0.88 -0.06 0.00 0.50 0.00 0.00 46.19 45.66 1xnj s LEU 257 CO 0.01 -0.01 0.88 -0.54 -1.32 0.00 0.00 176.35 175.37 1xnj s LYS 258 N 1.01 4.63 0.24 1.98 1.02 -1.26 -0.13 119.74 127.23 1xnj s LYS 258 Ca -0.08 1.30 0.08 0.00 0.02 0.00 0.00 55.97 57.29 1xnj s LYS 258 Cb -0.15 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1xnj s LYS 258 CO -0.01 0.27 -0.11 0.96 -0.92 0.00 0.00 175.35 175.54 1xnj s ILE 259 N -0.14 1.75 0.15 2.17 -4.36 0.92 -4.86 121.20 116.83 1xnj s ILE 259 Ca 0.43 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.65 1xnj s ILE 259 Cb -0.22 -2.23 0.03 0.00 1.25 0.00 0.00 42.46 41.28 1xnj s ILE 259 CO 0.27 -0.46 0.21 -0.46 0.24 0.00 0.00 174.94 174.74 1xnj n ASN 260 N -0.48 0.51 -0.17 4.36 0.23 -1.26 -4.49 115.26 113.95 1xnj n ASN 260 Ca -0.07 -1.37 -0.10 0.00 -0.53 0.00 0.00 54.58 52.50 1xnj n ASN 260 Cb 0.62 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1xnj n ASN 260 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1xnj h LYS 261 N 0.00 0.96 -0.60 -3.83 3.64 -2.00 -1.17 116.57 113.57 1xnj h LYS 261 Ca -0.07 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 1xnj h LYS 261 Cb 0.31 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1xnj h LYS 261 CO 0.10 1.03 0.16 0.28 -2.27 0.00 0.00 179.45 178.74 1xnj h VAL 262 N 0.82 1.25 -0.64 2.00 2.07 -1.99 -0.28 116.25 119.48 1xnj h VAL 262 Ca 0.13 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1xnj h VAL 262 Cb 0.66 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1xnj h VAL 262 CO 0.05 0.33 0.40 0.44 0.02 0.00 0.00 177.57 178.81 1xnj h ASP 263 N 0.87 0.75 0.12 0.57 3.32 -1.90 -1.21 116.42 118.93 1xnj h ASP 263 Ca 0.19 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 1xnj h ASP 263 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1xnj h ASP 263 CO -0.00 0.56 -0.44 -0.03 -1.72 0.00 0.00 179.24 177.61 1xnj h MET 264 N 0.88 0.40 -0.95 3.56 4.05 -0.58 -0.16 114.93 122.13 1xnj h MET 264 Ca 0.23 -0.21 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1xnj h MET 264 Cb -0.06 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.69 1xnj h MET 264 CO -0.05 0.77 0.62 1.96 0.23 0.00 0.00 176.91 180.45 1xnj h GLN 265 N 0.33 1.16 -0.00 0.39 4.20 0.10 -1.01 115.11 120.27 1xnj h GLN 265 Ca 0.02 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 1xnj h GLN 265 Cb 0.91 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1xnj h GLN 265 CO 0.08 0.77 -0.79 -1.49 -0.67 0.00 0.00 178.83 176.72 1xnj h TRP 266 N 1.19 0.10 -0.86 2.96 4.06 -0.92 -0.64 115.95 121.84 1xnj h TRP 266 Ca 0.38 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.27 1xnj h TRP 266 Cb 0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.13 1xnj h TRP 266 CO -0.00 0.83 0.51 0.28 -3.56 0.00 0.00 178.44 176.50 1xnj h VAL 267 N 0.04 1.24 -0.36 1.49 2.07 -0.60 -0.37 116.25 119.75 1xnj h VAL 267 Ca -0.02 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 1xnj h VAL 267 Cb 1.39 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1xnj h VAL 267 CO 0.11 0.25 -0.25 -0.61 0.02 0.00 0.00 177.57 177.09 1xnj h GLN 268 N 1.18 0.74 -0.70 1.57 4.15 -0.30 0.10 115.11 121.85 1xnj h GLN 268 Ca 0.31 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1xnj h GLN 268 Cb -0.04 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1xnj h GLN 268 CO -0.06 0.91 0.30 0.28 -1.93 0.00 0.00 178.83 178.34 1xnj h VAL 269 N 0.64 1.24 0.04 2.39 2.07 -0.07 -2.35 116.25 120.20 1xnj h VAL 269 Ca 0.08 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1xnj h VAL 269 Cb 0.75 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xnj h VAL 269 CO 0.06 0.29 -0.02 -0.07 0.02 0.00 0.00 177.57 177.86 1xnj h LEU 270 N 0.99 -0.04 -0.66 2.57 3.38 -0.66 -2.62 115.31 118.26 1xnj h LEU 270 Ca 0.24 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.90 1xnj h LEU 270 Cb 0.17 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 1xnj h LEU 270 CO -0.02 0.44 0.10 0.00 0.09 0.00 0.00 178.44 179.04 1xnj h ALA 271 N 0.39 0.77 0.00 1.53 0.00 -0.92 -1.45 119.26 119.58 1xnj h ALA 271 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xnj h ALA 271 Cb 0.49 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xnj h ALA 271 CO 0.01 -0.35 0.00 0.39 0.00 0.00 0.00 179.25 179.30 1xnj n GLU 272 N -5.20 0.08 0.00 0.00 1.02 -0.89 -0.77 120.64 114.88 1xnj n GLU 272 Ca 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1xnj n GLU 272 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1xnj n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnj n GLY 273 N 1.34 0.81 0.27 0.62 0.00 -0.55 -4.33 105.19 103.36 1xnj n GLY 273 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1xnj n GLY 273 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xnj h TRP 274 N 0.00 0.00 -0.69 1.61 4.06 -1.68 -1.77 115.95 117.48 1xnj h TRP 274 Ca 0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1xnj h TRP 274 Cb 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.08 1xnj h TRP 274 CO 0.00 0.08 0.17 0.00 -3.56 0.00 0.00 178.44 175.13 1xnj n ALA 275 N -2.34 4.36 -1.65 1.49 0.00 -1.26 -4.52 120.51 116.59 1xnj n ALA 275 Ca -0.02 -2.18 -0.59 0.00 0.00 0.00 0.00 53.44 50.64 1xnj n ALA 275 Cb 0.17 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1xnj n ALA 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xnj n THR 276 N 0.16 0.10 -1.42 0.00 -1.04 -0.67 -1.47 114.28 109.94 1xnj n THR 276 Ca 0.36 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 62.21 1xnj n THR 276 Cb 1.33 -0.72 0.17 0.00 -1.82 0.00 0.00 70.33 69.30 1xnj n THR 276 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xnj n PRO 277 N 3.57 2.15 -1.73 -2.82 -0.04 -1.26 -5.00 135.00 129.87 1xnj n PRO 277 Ca 0.24 -3.22 -0.39 0.00 -0.04 0.00 0.00 63.50 60.10 1xnj n PRO 277 Cb 0.09 -2.00 0.04 0.00 -0.04 0.00 0.00 33.50 31.59 1xnj n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xnj n LEU 278 N -1.09 5.36 -0.75 1.53 4.77 -0.54 -4.90 117.00 121.38 1xnj n LEU 278 Ca 0.45 0.96 0.12 0.00 -0.03 0.00 0.00 56.01 57.51 1xnj n LEU 278 Cb 1.19 -1.56 0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1xnj n LEU 278 CO 0.39 -0.70 0.58 0.59 -1.33 0.00 0.00 177.39 176.91 1xnj n ASN 279 N -0.98 2.47 0.00 -1.43 5.03 -1.26 -4.99 115.26 114.11 1xnj n ASN 279 Ca 0.11 -1.76 0.00 0.00 0.87 0.00 0.00 54.58 53.80 1xnj n ASN 279 Cb 0.45 0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 1xnj n ASN 279 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xnj n GLY 280 N 1.35 -0.53 3.75 7.41 0.00 -1.23 -1.65 105.19 114.29 1xnj n GLY 280 Ca 0.13 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1xnj n GLY 280 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xnj n PHE 281 N 4.86 2.59 -1.88 1.61 3.01 -1.17 -4.87 117.46 121.62 1xnj n PHE 281 Ca 0.00 0.44 -0.42 0.00 1.01 0.00 0.00 57.45 58.49 1xnj n PHE 281 Cb 0.00 -2.44 -0.03 0.00 -0.01 0.00 0.00 39.48 37.01 1xnj n PHE 281 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xnj s MET 282 N -2.48 4.19 0.75 -1.08 -1.94 0.21 -2.14 119.30 116.81 1xnj s MET 282 Ca 0.62 2.44 -0.11 0.00 -1.71 0.00 0.00 55.69 56.93 1xnj s MET 282 Cb -0.45 -3.10 0.05 0.00 2.01 0.00 0.00 34.83 33.33 1xnj s MET 282 CO 0.56 -0.60 1.12 1.03 -0.01 0.00 0.00 175.02 177.13 1xnj s ARG 283 N 0.51 2.40 0.16 2.03 0.52 -1.26 -3.64 118.95 119.68 1xnj s ARG 283 Ca 0.67 0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 55.96 1xnj s ARG 283 Cb -0.45 -2.00 0.10 0.00 0.52 0.00 0.00 34.95 33.11 1xnj s ARG 283 CO 0.37 -1.30 1.69 1.49 0.02 0.00 0.00 175.30 177.57 1xnj h GLU 284 N -0.82 0.07 -0.86 3.54 4.81 -1.95 -1.57 114.58 117.80 1xnj h GLU 284 Ca -0.45 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1xnj h GLU 284 Cb 1.29 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1xnj h GLU 284 CO 0.65 0.05 0.55 -0.09 -0.73 0.00 0.00 179.01 179.43 1xnj h ARG 285 N 0.07 1.01 -0.39 1.92 2.43 -1.99 -0.63 114.38 116.80 1xnj h ARG 285 Ca 0.19 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1xnj h ARG 285 Cb 0.27 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xnj h ARG 285 CO -0.34 0.67 -0.30 0.93 -1.51 0.00 0.00 179.97 179.42 1xnj h GLU 286 N 1.04 0.85 -0.58 0.20 5.08 -1.70 -2.06 114.58 117.41 1xnj h GLU 286 Ca 0.35 -0.39 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1xnj h GLU 286 Cb 0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1xnj h GLU 286 CO -0.13 1.03 0.30 -0.92 -1.00 0.00 0.00 179.01 178.29 1xnj h TYR 287 N 0.72 0.55 -0.28 4.33 3.20 -0.98 -0.75 116.97 123.76 1xnj h TYR 287 Ca 0.08 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 1xnj h TYR 287 Cb 0.85 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1xnj h TYR 287 CO 0.05 0.26 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.35 1xnj h LEU 288 N 0.57 0.71 -0.48 2.82 3.38 -1.04 0.02 115.31 121.29 1xnj h LEU 288 Ca 0.26 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xnj h LEU 288 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xnj h LEU 288 CO -0.18 1.03 0.10 1.56 0.09 0.00 0.00 178.44 181.04 1xnj h GLN 289 N 0.54 0.78 -0.21 1.13 4.20 -1.12 -1.17 115.11 119.28 1xnj h GLN 289 Ca 0.04 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 1xnj h GLN 289 Cb 0.94 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1xnj h GLN 289 CO 0.09 0.78 -0.12 0.00 -0.67 0.00 0.00 178.83 178.90 1xnj h LEU 291 N 0.15 0.94 0.00 0.00 3.38 -0.86 -2.41 115.31 116.52 1xnj h LEU 291 Ca 0.04 -0.41 -0.22 0.00 0.09 0.00 0.00 57.88 57.38 1xnj h LEU 291 Cb 0.62 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1xnj h LEU 291 CO 0.03 1.15 -1.11 0.45 0.09 0.00 0.00 178.44 179.06 1xnj h HIS 292 N 0.74 0.02 0.00 1.13 3.86 -1.24 -3.42 115.15 116.24 1xnj h HIS 292 Ca 0.09 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1xnj h HIS 292 Cb 0.81 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1xnj h HIS 292 CO 0.06 1.01 0.00 1.19 0.86 0.00 0.00 177.93 181.05 1xnj n PHE 293 N -3.31 0.00 -1.47 2.45 0.99 -0.14 -5.02 117.46 110.96 1xnj n PHE 293 Ca -0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.26 1xnj n PHE 293 Cb 0.96 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 39.37 1xnj n PHE 293 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1xnj n ASP 294 N -0.39 -5.48 -3.82 4.37 9.92 -0.91 -4.96 116.55 115.28 1xnj n ASP 294 Ca 0.00 0.40 -0.10 0.00 -0.53 0.00 0.00 54.79 54.56 1xnj n ASP 294 Cb 0.03 -4.49 -0.08 0.00 -0.64 0.00 0.00 41.12 35.94 1xnj n ASP 294 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xnj s LEU 296 N -2.38 4.20 0.00 0.00 1.43 -0.02 -3.79 118.68 118.12 1xnj s LEU 296 Ca -0.01 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1xnj s LEU 296 Cb 0.01 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1xnj s LEU 296 CO -0.07 -0.05 0.00 0.18 0.23 0.00 0.00 176.35 176.64 1xnj n LEU 297 N 0.14 0.00 -4.64 1.79 4.77 -1.25 -0.98 117.00 116.83 1xnj n LEU 297 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1xnj n LEU 297 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1xnj n LEU 297 CO 0.43 0.00 1.31 -1.81 -1.33 0.00 0.00 177.39 175.99 1xnj s ASP 298 N -2.09 6.51 -0.35 -1.43 1.01 -1.26 -2.68 116.67 116.39 1xnj s ASP 298 Ca 0.00 1.66 -0.01 0.00 0.71 0.00 0.00 52.55 54.91 1xnj s ASP 298 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1xnj s ASP 298 CO 0.00 -1.14 0.08 0.61 0.21 0.00 0.00 175.17 174.93 1xnj n GLY 299 N 4.43 0.34 0.00 0.21 0.00 -1.26 -4.89 105.19 104.02 1xnj n GLY 299 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1xnj n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnj n GLY 300 N -0.94 3.02 3.65 -0.02 0.00 -1.09 -5.02 105.19 104.78 1xnj n GLY 300 Ca -0.03 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1xnj n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnj s VAL 301 N -1.68 4.87 0.01 1.61 1.01 -1.26 -3.78 120.40 121.17 1xnj s VAL 301 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1xnj s VAL 301 Cb 0.00 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1xnj s VAL 301 CO 0.00 -0.03 -0.05 -0.51 0.00 0.00 0.00 175.10 174.51 1xnj s ILE 302 N 2.62 0.35 0.10 2.22 2.07 -0.16 -4.58 121.20 123.82 1xnj s ILE 302 Ca 0.35 -0.36 -0.31 0.00 -1.41 0.00 0.00 60.65 58.92 1xnj s ILE 302 Cb -0.16 -0.33 -0.10 0.00 0.13 0.00 0.00 42.46 42.00 1xnj s ILE 302 CO 0.09 -0.01 1.89 0.21 -1.91 0.00 0.00 174.94 175.20 1xnj s ASN 303 N -0.41 6.42 -0.29 4.50 3.84 -0.45 -0.84 114.94 127.70 1xnj s ASN 303 Ca -0.01 2.75 0.04 0.00 0.21 0.00 0.00 52.86 55.85 1xnj s ASN 303 Cb -0.03 -2.55 0.19 0.00 -0.55 0.00 0.00 41.25 38.30 1xnj s ASN 303 CO -0.00 -1.03 0.56 -0.22 -2.79 0.00 0.00 177.10 173.62 1xnj s LEU 304 N 3.34 -1.46 0.00 3.21 0.20 -0.10 -4.80 118.68 119.07 1xnj s LEU 304 Ca 0.84 0.26 0.13 0.00 0.69 0.00 0.00 54.13 56.05 1xnj s LEU 304 Cb -0.45 1.93 0.03 0.00 -0.43 0.00 0.00 46.19 47.27 1xnj s LEU 304 CO 0.39 -0.30 0.79 -1.54 -0.29 0.00 0.00 176.35 175.40 1xnj n SER 305 N 5.41 1.63 -4.30 3.68 3.41 -1.22 -3.28 113.62 118.95 1xnj n SER 305 Ca 0.03 -1.31 -0.31 0.00 -0.26 0.00 0.00 58.87 57.01 1xnj n SER 305 Cb 0.53 0.31 -0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1xnj n SER 305 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xnj s VAL 306 N -1.42 2.16 0.23 -3.33 -7.23 -1.26 -4.83 120.40 104.71 1xnj s VAL 306 Ca 0.12 -1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.94 1xnj s VAL 306 Cb 0.10 -1.78 -0.11 0.00 0.56 0.00 0.00 36.38 35.16 1xnj s VAL 306 CO 0.27 0.57 1.63 -2.84 -0.31 0.00 0.00 175.10 174.42 1xnj s PRO 307 N -0.34 4.15 -0.49 4.82 0.02 -1.26 -4.97 135.00 136.93 1xnj s PRO 307 Ca 0.02 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 1xnj s PRO 307 Cb -0.12 -3.08 0.13 0.00 0.02 0.00 0.00 34.50 31.45 1xnj s PRO 307 CO 0.02 -0.66 0.29 0.42 -0.33 0.00 0.00 177.00 176.73 1xnj s ILE 308 N 0.71 3.34 0.05 2.83 1.01 -1.26 -5.07 121.20 122.80 1xnj s ILE 308 Ca 0.69 -2.50 0.00 0.00 0.00 0.00 0.00 60.65 58.85 1xnj s ILE 308 Cb -0.47 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1xnj s ILE 308 CO 0.38 -0.76 -0.04 0.68 0.00 0.00 0.00 174.94 175.19 1xnj s VAL 309 N 0.58 0.29 -0.15 2.92 -7.23 -1.26 -0.62 120.40 114.93 1xnj s VAL 309 Ca 0.12 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1xnj s VAL 309 Cb -0.22 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1xnj s VAL 309 CO -0.04 -0.73 -0.07 -0.22 -0.31 0.00 0.00 175.10 173.73 1xnj s LEU 310 N -2.27 3.08 0.21 1.32 2.96 -1.25 -4.98 118.68 117.76 1xnj s LEU 310 Ca -0.02 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1xnj s LEU 310 Cb -0.01 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1xnj s LEU 310 CO -0.05 0.17 0.24 0.42 -1.32 0.00 0.00 176.35 175.81 1xnj s THR 311 N 0.35 4.81 0.01 3.68 -4.23 -1.26 -0.30 115.64 118.69 1xnj s THR 311 Ca -0.06 -1.11 -0.19 0.00 -1.18 0.00 0.00 61.69 59.14 1xnj s THR 311 Cb -0.15 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1xnj s THR 311 CO 0.04 -0.25 0.42 0.00 -0.54 0.00 0.00 174.62 174.29 1xnj s ALA 312 N -1.95 -1.06 0.65 3.99 0.00 -0.26 -4.87 121.76 118.26 1xnj s ALA 312 Ca 0.33 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 1xnj s ALA 312 Cb -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1xnj s ALA 312 CO 0.26 -0.37 1.04 0.95 0.00 0.00 0.00 175.76 177.64 1xnj s THR 313 N -1.86 3.97 0.27 0.00 -4.23 -1.26 -1.24 115.64 111.29 1xnj s THR 313 Ca -0.09 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1xnj s THR 313 Cb -0.02 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.46 1xnj s THR 313 CO 0.02 -0.79 1.70 -0.74 -0.54 0.00 0.00 174.62 174.27 1xnj h HIS 314 N -0.45 0.53 -0.36 3.99 2.76 -1.96 -0.63 115.15 119.04 1xnj h HIS 314 Ca -0.45 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 57.78 1xnj h HIS 314 Cb 1.23 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.06 1xnj h HIS 314 CO 0.55 -0.03 0.20 0.93 -1.30 0.00 0.00 177.93 178.28 1xnj h GLU 315 N 0.38 0.40 -0.24 5.26 3.07 -1.99 -0.35 114.58 121.11 1xnj h GLU 315 Ca 0.50 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 59.17 1xnj h GLU 315 Cb 0.88 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1xnj h GLU 315 CO -0.50 0.26 -0.48 -0.44 -1.40 0.00 0.00 179.01 176.45 1xnj h ASP 316 N 0.41 0.84 -0.13 1.42 3.32 -1.82 -1.90 116.42 118.57 1xnj h ASP 316 Ca 0.15 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.69 1xnj h ASP 316 Cb 0.03 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1xnj h ASP 316 CO -0.08 1.23 -0.14 0.50 -1.72 0.00 0.00 179.24 179.03 1xnj h LYS 317 N 0.49 -0.16 -0.64 3.56 3.11 -0.96 -0.42 116.57 121.55 1xnj h LYS 317 Ca 0.01 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.90 1xnj h LYS 317 Cb 1.09 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 32.31 1xnj h LYS 317 CO 0.11 -0.11 0.37 0.93 -2.81 0.00 0.00 179.45 177.94 1xnj h GLU 318 N -0.17 0.69 -0.43 1.90 5.08 -1.00 0.43 114.58 121.08 1xnj h GLU 318 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xnj h GLU 318 Cb 0.30 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1xnj h GLU 318 CO -0.23 0.46 0.13 -0.09 -1.00 0.00 0.00 179.01 178.29 1xnj h ARG 319 N 0.71 0.63 0.00 2.33 2.43 -1.06 -3.33 114.38 116.09 1xnj h ARG 319 Ca 0.27 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1xnj h ARG 319 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xnj h ARG 319 CO -0.14 0.55 -1.73 1.28 -1.51 0.00 0.00 179.97 178.42 1xnj n LEU 320 N -4.34 0.00 -4.74 3.80 4.77 -0.19 -4.88 117.00 111.42 1xnj n LEU 320 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1xnj n LEU 320 Cb 0.18 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1xnj n LEU 320 CO 0.38 0.07 0.98 -0.62 -1.33 0.00 0.00 177.39 176.87 1xnj s ASP 321 N -3.92 6.90 0.00 -1.43 2.15 0.14 -1.69 116.67 118.82 1xnj s ASP 321 Ca -0.06 2.43 0.00 0.00 0.43 0.00 0.00 52.55 55.35 1xnj s ASP 321 Cb 0.08 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1xnj s ASP 321 CO 0.60 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 1xnj n GLY 322 N 2.11 3.15 3.78 2.66 0.00 -1.26 -4.92 105.19 110.72 1xnj n GLY 322 Ca 0.05 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1xnj n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj n THR 324 N -0.36 0.00 -3.59 0.00 -2.24 -1.26 -4.57 114.28 102.26 1xnj n THR 324 Ca 0.06 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1xnj n THR 324 Cb 0.50 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 1xnj n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnj s ALA 325 N -2.94 -1.83 0.09 6.98 0.00 -1.26 -0.87 121.76 121.94 1xnj s ALA 325 Ca 0.11 1.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 1xnj s ALA 325 Cb 0.17 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1xnj s ALA 325 CO 0.75 -0.33 0.10 -0.59 0.00 0.00 0.00 175.76 175.69 1xnj s PHE 326 N -0.30 0.45 -0.08 0.00 -0.12 -0.45 -4.51 117.98 112.97 1xnj s PHE 326 Ca -0.03 -0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 55.90 1xnj s PHE 326 Cb -0.03 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1xnj s PHE 326 CO 0.03 -0.50 0.09 0.00 -0.05 0.00 0.00 175.22 174.78 1xnj s ALA 327 N -3.93 3.66 0.02 1.99 0.00 0.18 -0.62 121.76 123.05 1xnj s ALA 327 Ca 0.11 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1xnj s ALA 327 Cb 0.06 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 1xnj s ALA 327 CO -0.07 0.63 0.66 -0.51 0.00 0.00 0.00 175.76 176.48 1xnj s LEU 328 N -1.16 4.43 -0.21 0.00 1.43 0.92 0.10 118.68 124.19 1xnj s LEU 328 Ca 0.17 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 1xnj s LEU 328 Cb -0.12 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1xnj s LEU 328 CO 0.06 0.07 -0.11 -0.32 0.23 0.00 0.00 176.35 176.28 1xnj s MET 329 N -0.13 2.09 -0.18 1.70 1.75 0.82 -0.08 119.30 125.27 1xnj s MET 329 Ca 0.34 -0.92 -0.02 0.00 -1.25 0.00 0.00 55.69 53.85 1xnj s MET 329 Cb -0.19 -2.50 -0.01 0.00 2.84 0.00 0.00 34.83 34.97 1xnj s MET 329 CO 0.19 -0.44 -0.10 -0.47 -0.65 0.00 0.00 175.02 173.55 1xnj s TYR 330 N 1.35 2.87 -1.53 4.11 5.04 -0.18 -0.06 117.35 128.94 1xnj s TYR 330 Ca -0.02 -0.95 -0.07 0.00 -2.44 0.00 0.00 57.07 53.59 1xnj s TYR 330 Cb -0.17 -1.97 0.06 0.00 0.35 0.00 0.00 41.96 40.23 1xnj s TYR 330 CO -0.08 -0.46 0.52 0.39 -1.34 0.00 0.00 175.55 174.57 1xnj n GLU 331 N 4.27 -3.03 -0.39 4.97 1.02 -1.26 -1.44 120.64 124.77 1xnj n GLU 331 Ca -0.19 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1xnj n GLU 331 Cb 0.51 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 27.28 1xnj n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnj n GLY 332 N -1.83 1.95 3.77 0.62 0.00 -1.26 -4.99 105.19 103.45 1xnj n GLY 332 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1xnj n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnj s ARG 333 N -0.10 3.73 -0.41 1.61 0.52 -0.52 -5.07 118.95 118.71 1xnj s ARG 333 Ca 0.00 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 54.70 1xnj s ARG 333 Cb 0.00 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 32.26 1xnj s ARG 333 CO 0.00 0.53 1.26 1.03 0.02 0.00 0.00 175.30 178.14 1xnj s ARG 334 N -0.32 3.74 -0.01 3.54 0.52 -1.26 -1.01 118.95 124.14 1xnj s ARG 334 Ca 0.10 0.87 0.14 0.00 -0.52 0.00 0.00 55.73 56.32 1xnj s ARG 334 Cb -0.12 -3.93 -0.18 0.00 0.52 0.00 0.00 34.95 31.25 1xnj s ARG 334 CO 0.01 -1.36 0.49 1.33 0.02 0.00 0.00 175.30 175.80 1xnj n VAL 335 N 6.73 0.00 -3.50 3.52 0.24 0.88 -4.81 118.33 121.38 1xnj n VAL 335 Ca 0.14 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1xnj n VAL 335 Cb 0.48 0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 1xnj n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xnj s ALA 336 N -2.56 -1.80 -0.11 2.33 0.00 -1.22 -1.11 121.76 117.30 1xnj s ALA 336 Ca 0.02 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1xnj s ALA 336 Cb 0.10 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1xnj s ALA 336 CO 0.58 -0.59 -0.16 0.42 0.00 0.00 0.00 175.76 176.01 1xnj s ILE 337 N -2.60 2.82 -0.26 0.00 1.01 -0.15 -0.05 121.20 121.97 1xnj s ILE 337 Ca 0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 1xnj s ILE 337 Cb -0.01 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1xnj s ILE 337 CO -0.05 0.54 0.19 -0.22 0.00 0.00 0.00 174.94 175.39 1xnj s LEU 338 N 0.19 4.07 0.01 2.97 2.96 0.21 -0.31 118.68 128.78 1xnj s LEU 338 Ca -0.09 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1xnj s LEU 338 Cb -0.16 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1xnj s LEU 338 CO 0.06 0.00 0.04 -0.13 -1.32 0.00 0.00 176.35 175.00 1xnj s ARG 339 N 1.41 2.89 -1.23 1.98 0.52 0.48 -1.35 118.95 123.65 1xnj s ARG 339 Ca 0.08 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 54.62 1xnj s ARG 339 Cb -0.15 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 1xnj s ARG 339 CO 0.08 0.63 0.70 0.09 0.02 0.00 0.00 175.30 176.81 1xnj n ASN 340 N 1.21 -3.17 -4.78 0.23 3.02 -0.05 -0.92 115.26 110.80 1xnj n ASN 340 Ca -0.13 -0.93 -0.35 0.00 -0.03 0.00 0.00 54.58 53.13 1xnj n ASN 340 Cb 0.53 -3.67 -0.01 0.00 -0.61 0.00 0.00 39.78 36.01 1xnj n ASN 340 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xnj s PRO 341 N -5.96 3.57 0.05 3.52 0.04 -1.26 -4.58 135.00 130.37 1xnj s PRO 341 Ca 0.24 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1xnj s PRO 341 Cb -0.08 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1xnj s PRO 341 CO 0.84 -0.66 -0.14 -1.83 0.04 0.00 0.00 177.00 175.25 1xnj s GLU 342 N -3.15 0.90 -0.11 4.56 -1.05 0.54 -4.94 118.70 115.45 1xnj s GLU 342 Ca 0.69 -0.80 -0.00 0.00 -0.15 0.00 0.00 54.97 54.72 1xnj s GLU 342 Cb -0.22 -0.91 -0.02 0.00 -0.44 0.00 0.00 34.13 32.54 1xnj s GLU 342 CO 0.26 0.22 -0.11 -0.06 0.95 0.00 0.00 175.26 176.52 1xnj s PHE 343 N -0.94 2.85 0.12 4.83 0.40 -1.26 0.01 117.98 123.98 1xnj s PHE 343 Ca 0.01 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1xnj s PHE 343 Cb -0.08 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1xnj s PHE 343 CO 0.01 -0.03 0.35 -0.59 0.70 0.00 0.00 175.22 175.67 1xnj s PHE 344 N -0.01 -0.12 0.24 0.36 -0.12 -0.74 -4.97 117.98 112.62 1xnj s PHE 344 Ca -0.02 -0.23 -0.30 0.00 -0.05 0.00 0.00 56.93 56.33 1xnj s PHE 344 Cb -0.14 0.18 -0.09 0.00 -0.63 0.00 0.00 43.02 42.34 1xnj s PHE 344 CO 0.04 -0.66 1.29 -1.21 -0.05 0.00 0.00 175.22 174.62 1xnj s GLU 345 N -3.82 4.41 -0.77 1.99 2.02 -1.26 -0.64 118.70 120.62 1xnj s GLU 345 Ca 0.03 2.07 -0.20 0.00 0.02 0.00 0.00 54.97 56.89 1xnj s GLU 345 Cb 0.03 -3.16 0.11 0.00 0.10 0.00 0.00 34.13 31.20 1xnj s GLU 345 CO -0.12 -0.19 0.97 -1.58 0.02 0.00 0.00 175.26 174.36 1xnj s HIS 346 N -0.31 3.00 -0.75 1.61 5.65 -0.04 -4.70 115.29 119.75 1xnj s HIS 346 Ca 0.54 -1.10 -0.23 0.00 0.25 0.00 0.00 55.06 54.52 1xnj s HIS 346 Cb -0.37 -4.20 0.07 0.00 -1.18 0.00 0.00 32.58 26.90 1xnj s HIS 346 CO 0.42 -1.47 1.09 1.03 -0.65 0.00 0.00 174.74 175.16 1xnj s ARG 347 N 2.93 3.25 0.01 2.88 0.52 -1.26 -4.73 118.95 122.54 1xnj s ARG 347 Ca 0.24 -0.92 -0.19 0.00 -0.52 0.00 0.00 55.73 54.33 1xnj s ARG 347 Cb -0.13 -4.44 -0.23 0.00 0.52 0.00 0.00 34.95 30.67 1xnj s ARG 347 CO -0.01 -1.90 1.10 0.87 0.02 0.00 0.00 175.30 175.39 1xnj h LYS 348 N 9.54 0.43 0.32 3.54 1.57 -1.96 -1.01 116.57 129.00 1xnj h LYS 348 Ca -0.17 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 1xnj h LYS 348 Cb 1.05 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1xnj h LYS 348 CO 1.21 1.12 -0.15 1.49 -0.57 0.00 0.00 179.45 182.54 1xnj h GLU 349 N -0.07 -0.42 -0.98 3.15 4.81 -1.99 0.66 114.58 119.73 1xnj h GLU 349 Ca -0.08 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1xnj h GLU 349 Cb 1.34 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.74 1xnj h GLU 349 CO 0.12 -0.23 0.63 1.49 -0.73 0.00 0.00 179.01 180.30 1xnj h GLU 350 N -0.50 1.09 0.63 1.92 4.81 -1.96 -0.87 114.58 119.70 1xnj h GLU 350 Ca -0.04 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1xnj h GLU 350 Cb 0.38 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1xnj h GLU 350 CO 0.07 0.72 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.68 1xnj h ARG 351 N 1.12 -0.82 -0.46 1.92 2.43 -0.88 -0.60 114.38 117.10 1xnj h ARG 351 Ca 0.43 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.74 1xnj h ARG 351 Cb 0.21 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1xnj h ARG 351 CO -0.17 -0.54 -0.06 0.00 -1.51 0.00 0.00 179.97 177.69 1xnj h ALA 353 N 1.43 0.45 -0.26 0.00 0.00 -0.72 0.13 119.26 120.30 1xnj h ALA 353 Ca 0.22 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1xnj h ALA 353 Cb 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xnj h ALA 353 CO -0.43 0.08 -0.51 0.00 0.00 0.00 0.00 179.25 178.40 1xnj h ARG 354 N 0.41 0.72 0.08 0.00 3.08 -0.93 0.25 114.38 117.98 1xnj h ARG 354 Ca 0.11 -0.43 -0.28 0.00 0.07 0.00 0.00 59.98 59.46 1xnj h ARG 354 Cb 0.23 0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.34 1xnj h ARG 354 CO -0.01 1.05 -1.16 0.37 -1.07 0.00 0.00 179.97 179.16 1xnj h GLN 355 N 0.56 0.57 0.00 0.04 4.15 -0.71 -3.37 115.11 116.35 1xnj h GLN 355 Ca 0.02 -0.71 0.00 0.00 0.77 0.00 0.00 58.65 58.73 1xnj h GLN 355 Cb 1.07 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1xnj h GLN 355 CO 0.10 1.31 -0.84 0.91 -1.93 0.00 0.00 178.83 178.38 1xnj n TRP 356 N -3.77 0.00 -2.52 3.99 8.01 0.45 -4.73 117.44 118.87 1xnj n TRP 356 Ca -0.11 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.88 1xnj n TRP 356 Cb 0.94 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 30.22 1xnj n TRP 356 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xnj n GLY 357 N 1.40 -0.43 3.60 6.99 0.00 0.88 -4.97 105.19 112.65 1xnj n GLY 357 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1xnj n GLY 357 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xnj s THR 358 N -3.01 0.00 -0.85 2.61 -1.32 -1.24 -5.04 115.64 106.78 1xnj s THR 358 Ca 0.07 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.69 1xnj s THR 358 Cb -0.03 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.41 1xnj s THR 358 CO 0.09 0.00 1.38 0.35 -2.21 0.00 0.00 174.62 174.22 1xnj n THR 359 N 0.49 1.45 -1.30 5.08 -2.24 -1.26 -3.78 114.28 112.71 1xnj n THR 359 Ca -0.05 -1.24 -0.58 0.00 -2.27 0.00 0.00 64.05 59.91 1xnj n THR 359 Cb 0.58 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.97 1xnj n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnj h LYS 361 N 9.87 0.00 -0.34 0.00 2.10 -1.96 -1.35 116.57 124.89 1xnj h LYS 361 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1xnj h LYS 361 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1xnj h LYS 361 CO 1.07 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 178.63 1xnj n ASN 362 N -3.26 2.12 -4.73 7.07 3.02 -1.26 -4.19 115.26 114.03 1xnj n ASN 362 Ca -0.02 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 1xnj n ASN 362 Cb 0.12 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1xnj n ASN 362 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xnj s HIS 363 N -1.55 3.23 0.36 3.10 5.65 -0.51 -4.88 115.29 120.70 1xnj s HIS 363 Ca 0.30 1.07 0.23 0.00 0.25 0.00 0.00 55.06 56.91 1xnj s HIS 363 Cb 0.16 -3.66 1.21 0.00 -1.18 0.00 0.00 32.58 29.10 1xnj s HIS 363 CO 0.22 -2.19 1.98 -1.00 -0.65 0.00 0.00 174.74 173.09 1xnj h PRO 364 N 6.08 0.00 0.11 2.88 0.13 -1.89 0.44 132.00 139.75 1xnj h PRO 364 Ca -0.43 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.36 1xnj h PRO 364 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1xnj h PRO 364 CO 0.82 0.19 -1.82 -0.92 -0.23 0.00 0.00 178.00 176.03 1xnj h TYR 365 N 0.00 0.42 -0.96 1.56 5.03 -1.90 -3.26 116.97 117.85 1xnj h TYR 365 Ca -0.00 -0.30 0.06 0.00 2.58 0.00 0.00 58.73 61.07 1xnj h TYR 365 Cb 0.46 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.66 1xnj h TYR 365 CO 0.00 1.55 0.62 0.82 -1.32 0.00 0.00 178.16 179.83 1xnj h ILE 366 N 0.06 1.09 -0.93 1.81 2.04 -1.71 -0.84 117.51 119.04 1xnj h ILE 366 Ca -0.35 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1xnj h ILE 366 Cb 2.04 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1xnj h ILE 366 CO 0.11 0.21 0.61 0.50 0.00 0.00 0.00 178.15 179.58 1xnj h LYS 367 N 1.12 1.13 -0.35 2.37 3.64 -0.22 0.26 116.57 124.51 1xnj h LYS 367 Ca 0.41 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1xnj h LYS 367 Cb 0.16 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1xnj h LYS 367 CO -0.16 0.75 -0.30 0.52 -2.27 0.00 0.00 179.45 177.99 1xnj h MET 368 N 1.16 0.83 -0.67 1.90 2.86 -1.34 -2.59 114.93 117.08 1xnj h MET 368 Ca 0.37 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1xnj h MET 368 Cb 0.02 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1xnj h MET 368 CO -0.11 1.05 0.34 0.28 1.06 0.00 0.00 176.91 179.53 1xnj h VAL 369 N 0.62 1.21 0.00 -2.22 2.07 -0.11 -1.85 116.25 115.97 1xnj h VAL 369 Ca 0.06 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1xnj h VAL 369 Cb 0.88 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1xnj h VAL 369 CO 0.08 0.25 -0.09 0.24 0.02 0.00 0.00 177.57 178.07 1xnj h MET 370 N 0.95 0.00 -0.00 1.57 2.07 -0.30 -2.60 114.93 116.61 1xnj h MET 370 Ca 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.87 1xnj h MET 370 Cb 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 1xnj h MET 370 CO -0.03 0.09 -0.06 0.39 1.07 0.00 0.00 176.91 178.36 1xnj n GLU 371 N -3.40 0.82 -2.46 1.72 1.02 -0.70 -4.90 120.64 112.74 1xnj n GLU 371 Ca -0.01 -0.24 -0.24 0.00 -0.02 0.00 0.00 57.16 56.65 1xnj n GLU 371 Cb 0.25 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1xnj n GLU 371 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xnj s GLN 372 N -2.34 1.77 0.90 3.49 -0.21 -0.98 -5.05 119.66 117.23 1xnj s GLN 372 Ca 0.34 -0.86 -0.14 0.00 0.02 0.00 0.00 55.36 54.72 1xnj s GLN 372 Cb 0.21 -2.28 0.14 0.00 1.00 0.00 0.00 33.01 32.08 1xnj s GLN 372 CO 0.44 -1.41 1.22 0.20 -2.12 0.00 0.00 175.29 173.61 1xnj s GLY 373 N -4.67 1.65 0.00 3.09 0.00 -1.26 -4.96 107.32 101.17 1xnj s GLY 373 Ca 0.65 -0.83 0.19 0.00 0.00 0.00 0.00 44.72 44.72 1xnj s GLY 373 CO 0.44 -0.21 1.45 1.22 0.00 0.00 0.00 173.10 176.00 1xnj n ASP 374 N -3.63 2.14 -4.68 1.64 8.00 -1.10 -4.57 116.55 114.36 1xnj n ASP 374 Ca 0.10 -1.85 -0.26 0.00 0.71 0.00 0.00 54.79 53.49 1xnj n ASP 374 Cb 0.60 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1xnj n ASP 374 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1xnj s TRP 375 N -1.63 2.88 0.14 1.24 0.52 -0.37 -0.86 118.94 120.86 1xnj s TRP 375 Ca 0.32 -0.12 0.09 0.00 0.02 0.00 0.00 56.10 56.40 1xnj s TRP 375 Cb 0.17 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 1xnj s TRP 375 CO 0.25 0.52 -0.13 -0.51 0.02 0.00 0.00 176.95 177.10 1xnj s LEU 376 N -2.97 2.89 -0.18 2.99 1.43 0.18 -1.11 118.68 121.91 1xnj s LEU 376 Ca 0.28 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1xnj s LEU 376 Cb -0.09 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1xnj s LEU 376 CO 0.19 0.14 -0.05 -0.63 0.23 0.00 0.00 176.35 176.23 1xnj s ILE 377 N -1.43 1.21 0.22 -0.59 1.01 0.59 -1.79 121.20 120.41 1xnj s ILE 377 Ca 0.22 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1xnj s ILE 377 Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1xnj s ILE 377 CO 0.13 0.08 0.35 -0.83 0.00 0.00 0.00 174.94 174.67 1xnj s GLY 378 N 1.58 1.41 0.00 6.18 0.00 0.10 -3.87 107.32 112.72 1xnj s GLY 378 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1xnj s GLY 378 CO -0.08 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1xnj n GLY 379 N -1.11 -1.67 3.64 0.20 0.00 -0.91 -0.34 105.19 105.01 1xnj n GLY 379 Ca -0.08 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1xnj n GLY 379 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xnj s ASP 380 N -2.12 6.29 -0.22 1.61 -0.00 -0.10 -3.03 116.67 119.11 1xnj s ASP 380 Ca 0.00 0.34 -0.06 0.00 -0.00 0.00 0.00 52.55 52.82 1xnj s ASP 380 Cb 0.00 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.92 40.70 1xnj s ASP 380 CO 0.00 -0.08 0.04 -0.22 -0.00 0.00 0.00 175.17 174.91 1xnj s LEU 381 N 1.53 3.44 -0.26 1.23 2.96 -0.66 -0.39 118.68 126.54 1xnj s LEU 381 Ca 0.15 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1xnj s LEU 381 Cb -0.15 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1xnj s LEU 381 CO 0.08 0.05 -0.02 -1.10 -1.32 0.00 0.00 176.35 174.04 1xnj s GLN 382 N 1.11 2.98 -0.08 1.98 -0.21 0.58 -4.79 119.66 121.22 1xnj s GLN 382 Ca 0.03 -0.90 -0.15 0.00 0.02 0.00 0.00 55.36 54.37 1xnj s GLN 382 Cb -0.14 -3.09 -0.05 0.00 1.00 0.00 0.00 33.01 30.73 1xnj s GLN 382 CO 0.02 -0.38 0.38 0.08 -2.12 0.00 0.00 175.29 173.27 1xnj s VAL 383 N 1.39 5.17 0.00 1.09 1.01 -0.45 -0.98 120.40 127.64 1xnj s VAL 383 Ca 0.02 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1xnj s VAL 383 Cb -0.16 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1xnj s VAL 383 CO -0.02 0.46 0.00 0.18 0.00 0.00 0.00 175.10 175.71 1xnj n LEU 384 N 2.84 0.00 -4.78 3.92 4.77 -0.26 -0.12 117.00 123.37 1xnj n LEU 384 Ca -0.12 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 1xnj n LEU 384 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1xnj n LEU 384 CO 0.39 0.00 0.78 -1.81 -1.33 0.00 0.00 177.39 175.42 1xnj s ASP 385 N -1.00 6.26 0.24 -1.43 1.11 -1.26 -4.57 116.67 116.01 1xnj s ASP 385 Ca 0.00 2.15 -0.31 0.00 0.18 0.00 0.00 52.55 54.57 1xnj s ASP 385 Cb 0.00 -2.59 -0.13 0.00 1.07 0.00 0.00 42.92 41.27 1xnj s ASP 385 CO 0.00 -0.85 1.43 0.54 1.18 0.00 0.00 175.17 177.47 1xnj n ARG 386 N -0.61 2.06 -2.26 8.23 1.74 -1.26 -4.91 116.66 119.65 1xnj n ARG 386 Ca 0.08 0.74 -0.42 0.00 -0.77 0.00 0.00 57.85 57.47 1xnj n ARG 386 Cb 0.50 -2.40 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 1xnj n ARG 386 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xnj s VAL 387 N 0.01 3.90 -0.02 1.55 1.01 -1.26 -5.00 120.40 120.59 1xnj s VAL 387 Ca 0.69 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1xnj s VAL 387 Cb -0.65 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1xnj s VAL 387 CO 0.49 -0.05 -0.00 -0.31 0.00 0.00 0.00 175.10 175.23 1xnj s TYR 388 N 2.96 0.23 -1.10 5.22 1.51 -1.26 -5.08 117.35 119.83 1xnj s TYR 388 Ca 0.62 0.00 0.20 0.00 -1.01 0.00 0.00 57.07 56.89 1xnj s TYR 388 Cb -0.28 -0.28 -0.19 0.00 -0.11 0.00 0.00 41.96 41.10 1xnj s TYR 388 CO 0.23 -0.07 0.89 0.91 -1.11 0.00 0.00 175.55 176.40 1xnj n TRP 389 N 3.70 0.00 -3.62 2.71 7.02 -1.26 -5.01 117.44 120.98 1xnj n TRP 389 Ca -0.21 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.03 1xnj n TRP 389 Cb 0.54 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.50 1xnj n TRP 389 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xnj n ASN 390 N -1.26 -5.50 0.00 -0.99 3.02 -1.26 -4.84 115.26 104.43 1xnj n ASN 390 Ca 0.05 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1xnj n ASN 390 Cb 0.33 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.62 1xnj n ASN 390 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1xnj n ASP 391 N -3.01 1.07 0.00 6.41 3.85 -1.26 -4.97 116.55 118.64 1xnj n ASP 391 Ca -0.03 -1.42 0.00 0.00 -0.71 0.00 0.00 54.79 52.62 1xnj n ASP 391 Cb 0.57 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 1xnj n ASP 391 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xnj n GLY 392 N -0.21 0.56 0.36 6.12 0.00 -1.26 -4.91 105.19 105.84 1xnj n GLY 392 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1xnj n GLY 392 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnj n LEU 393 N 0.00 2.34 0.27 0.99 4.77 -1.26 -4.73 117.00 119.39 1xnj n LEU 393 Ca 0.00 -1.79 0.15 0.00 -0.03 0.00 0.00 56.01 54.34 1xnj n LEU 393 Cb 0.00 -0.11 0.76 0.00 -2.33 0.00 0.00 43.42 41.74 1xnj n LEU 393 CO 0.00 0.57 0.99 0.44 -1.33 0.00 0.00 177.39 178.06 1xnj h ASP 394 N 1.22 0.00 0.46 -1.43 3.32 -1.96 0.11 116.42 118.13 1xnj h ASP 394 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xnj h ASP 394 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xnj h ASP 394 CO 0.00 0.08 -0.09 0.06 -1.72 0.00 0.00 179.24 177.57 1xnj h GLN 395 N 0.00 0.00 -0.01 3.56 -0.00 -2.02 -0.75 115.11 115.89 1xnj h GLN 395 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xnj h GLN 395 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 1xnj h GLN 395 CO 0.01 0.09 -0.36 0.66 -0.00 0.00 0.00 178.83 179.23 1xnj n TYR 396 N -3.46 0.00 -2.79 0.06 4.01 0.37 -4.71 117.16 110.64 1xnj n TYR 396 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1xnj n TYR 396 Cb 0.24 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1xnj n TYR 396 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1xnj s ARG 397 N -2.63 3.98 0.01 -0.72 0.52 -0.29 -1.30 118.95 118.52 1xnj s ARG 397 Ca 0.20 -2.20 -0.19 0.00 -0.52 0.00 0.00 55.73 53.02 1xnj s ARG 397 Cb 0.19 -5.24 -0.06 0.00 0.52 0.00 0.00 34.95 30.35 1xnj s ARG 397 CO 0.58 -1.98 0.54 -0.51 0.02 0.00 0.00 175.30 173.95 1xnj s LEU 398 N 2.87 4.45 0.73 2.53 1.02 -1.26 -4.99 118.68 124.04 1xnj s LEU 398 Ca 0.46 1.13 -0.11 0.00 0.02 0.00 0.00 54.13 55.63 1xnj s LEU 398 Cb -0.00 -2.83 0.03 0.00 0.02 0.00 0.00 46.19 43.41 1xnj s LEU 398 CO 0.01 0.19 1.08 0.42 0.02 0.00 0.00 176.35 178.07 1xnj s THR 399 N -0.59 3.63 0.44 5.49 -4.23 -1.26 -4.81 115.64 114.31 1xnj s THR 399 Ca 0.28 0.53 0.21 0.00 -1.18 0.00 0.00 61.69 61.54 1xnj s THR 399 Cb -0.18 -3.30 0.41 0.00 1.34 0.00 0.00 72.50 70.77 1xnj s THR 399 CO 0.16 -0.69 1.83 -0.65 -0.54 0.00 0.00 174.62 174.73 1xnj h PRO 400 N -0.85 0.31 0.14 3.99 0.11 -1.93 -1.55 132.00 132.21 1xnj h PRO 400 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1xnj h PRO 400 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xnj h PRO 400 CO 0.58 0.20 -0.07 1.15 -0.21 0.00 0.00 178.00 179.66 1xnj h THR 401 N 0.32 1.03 0.00 -1.15 2.02 -1.92 0.19 112.91 113.39 1xnj h THR 401 Ca 0.52 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1xnj h THR 401 Cb 1.45 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1xnj h THR 401 CO -0.18 0.21 -0.14 -0.33 0.37 0.00 0.00 175.52 175.45 1xnj h GLU 402 N -0.65 0.00 0.00 6.66 5.08 -1.83 -2.07 114.58 121.77 1xnj h GLU 402 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xnj h GLU 402 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xnj h GLU 402 CO 0.03 0.14 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.11 1xnj h LEU 403 N 0.00 -0.00 -1.41 1.33 3.38 -1.06 -1.18 115.31 116.37 1xnj h LEU 403 Ca -0.00 -0.73 0.14 0.00 0.09 0.00 0.00 57.88 57.38 1xnj h LEU 403 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1xnj h LEU 403 CO 0.02 0.73 0.54 0.11 0.09 0.00 0.00 178.44 179.93 1xnj h LYS 404 N -0.74 0.57 -0.04 1.13 1.57 -0.36 -0.39 116.57 118.30 1xnj h LYS 404 Ca -0.00 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1xnj h LYS 404 Cb 0.73 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xnj h LYS 404 CO 0.00 0.38 -0.61 0.37 -0.57 0.00 0.00 179.45 179.02 1xnj h GLN 405 N 0.58 0.13 -0.26 3.15 5.75 -1.27 -2.39 115.11 120.79 1xnj h GLN 405 Ca 0.40 -0.09 -0.19 0.00 -0.15 0.00 0.00 58.65 58.62 1xnj h GLN 405 Cb 0.73 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.30 1xnj h GLN 405 CO -0.16 0.70 -0.59 -0.22 -2.65 0.00 0.00 178.83 175.91 1xnj h LYS 406 N 0.10 0.86 -0.02 1.69 1.63 0.07 -1.40 116.57 119.49 1xnj h LYS 406 Ca -0.01 -0.57 -0.11 0.00 -0.85 0.00 0.00 60.65 59.12 1xnj h LYS 406 Cb 1.10 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1xnj h LYS 406 CO 0.09 1.20 -0.48 0.74 -3.45 0.00 0.00 179.45 177.54 1xnj h PHE 407 N 0.64 0.07 -0.01 1.91 0.04 -1.07 -1.88 116.94 116.65 1xnj h PHE 407 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1xnj h PHE 407 Cb 1.20 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1xnj h PHE 407 CO 0.07 0.53 -0.05 -0.22 -0.60 0.00 0.00 178.31 178.05 1xnj h LYS 408 N 0.05 0.06 -0.28 1.51 3.64 -1.11 -0.28 116.57 120.15 1xnj h LYS 408 Ca -0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1xnj h LYS 408 Cb 0.88 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1xnj h LYS 408 CO 0.07 0.69 0.23 -0.44 -2.27 0.00 0.00 179.45 177.73 1xnj h ASP 409 N -0.57 0.00 0.18 4.20 3.45 -1.12 2.21 116.42 124.77 1xnj h ASP 409 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xnj h ASP 409 Cb 0.70 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1xnj h ASP 409 CO 0.01 0.00 -0.15 0.23 -1.57 0.00 0.00 179.24 177.76 1xnj n MET 410 N -4.16 1.06 -3.69 3.56 2.81 -0.72 -4.93 117.12 111.06 1xnj n MET 410 Ca 0.04 -0.57 -0.26 0.00 -1.81 0.00 0.00 57.70 55.10 1xnj n MET 410 Cb 0.39 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.47 1xnj n MET 410 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xnj n ASN 411 N -0.47 -5.91 -4.76 7.83 3.02 0.74 -4.93 115.26 110.79 1xnj n ASN 411 Ca 0.15 -0.61 -0.35 0.00 -0.03 0.00 0.00 54.58 53.74 1xnj n ASN 411 Cb 0.33 -4.72 0.02 0.00 -0.61 0.00 0.00 39.78 34.81 1xnj n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xnj s ALA 412 N -3.32 2.59 0.00 5.41 0.00 -0.15 -4.82 121.76 121.48 1xnj s ALA 412 Ca 0.60 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1xnj s ALA 412 Cb -0.28 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1xnj s ALA 412 CO 0.76 -1.03 0.75 -0.40 0.00 0.00 0.00 175.76 175.84 1xnj n ASP 413 N -1.54 1.45 -3.69 0.00 3.85 -0.48 -4.92 116.55 111.22 1xnj n ASP 413 Ca 0.13 -1.53 -0.12 0.00 -0.71 0.00 0.00 54.79 52.56 1xnj n ASP 413 Cb 0.50 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.18 1xnj n ASP 413 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xnj s ALA 414 N -0.53 -1.26 -0.23 2.12 0.00 -1.23 -4.94 121.76 115.69 1xnj s ALA 414 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1xnj s ALA 414 Cb 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.25 1xnj s ALA 414 CO 0.00 -0.26 -0.12 0.08 0.00 0.00 0.00 175.76 175.47 1xnj s VAL 415 N 0.67 2.40 -0.18 0.00 1.01 -1.26 -1.08 120.40 121.96 1xnj s VAL 415 Ca -0.03 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 1xnj s VAL 415 Cb -0.05 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1xnj s VAL 415 CO -0.05 0.21 0.33 -0.94 0.00 0.00 0.00 175.10 174.65 1xnj s SER 416 N 1.24 6.42 -0.02 3.32 1.04 -0.74 -0.16 113.70 124.79 1xnj s SER 416 Ca -0.02 0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1xnj s SER 416 Cb -0.17 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 1xnj s SER 416 CO -0.07 0.03 -0.09 0.00 0.98 0.00 0.00 173.24 174.09 1xnj s ALA 417 N 0.83 2.92 -0.33 5.32 0.00 -0.33 -0.94 121.76 129.23 1xnj s ALA 417 Ca 0.17 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1xnj s ALA 417 Cb -0.14 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 21.98 1xnj s ALA 417 CO 0.06 0.59 0.06 0.12 0.00 0.00 0.00 175.76 176.59 1xnj s PHE 418 N -0.90 3.08 0.29 0.00 5.36 0.67 -2.44 117.98 124.04 1xnj s PHE 418 Ca 0.15 -2.58 -0.29 0.00 -0.96 0.00 0.00 56.93 53.25 1xnj s PHE 418 Cb -0.11 -2.52 -0.10 0.00 -0.34 0.00 0.00 43.02 39.95 1xnj s PHE 418 CO 0.05 -0.92 1.29 -1.14 -1.46 0.00 0.00 175.22 173.03 1xnj s GLN 419 N 1.14 4.40 0.17 10.12 2.00 -1.26 -1.76 119.66 134.47 1xnj s GLN 419 Ca 0.10 2.13 -0.23 0.00 -2.00 0.00 0.00 55.36 55.37 1xnj s GLN 419 Cb -0.18 -3.11 0.06 0.00 0.80 0.00 0.00 33.01 30.57 1xnj s GLN 419 CO -0.14 -0.16 0.65 -0.48 -0.50 0.00 0.00 175.29 174.67 1xnj s LEU 420 N -1.32 -0.48 0.00 3.68 0.05 -1.24 -4.98 118.68 114.39 1xnj s LEU 420 Ca 0.50 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.55 1xnj s LEU 420 Cb -0.38 2.57 0.00 0.00 -2.05 0.00 0.00 46.19 46.33 1xnj s LEU 420 CO 0.48 -1.02 0.11 -2.11 -0.55 0.00 0.00 176.35 173.26 1xnj n ARG 421 N -0.39 0.65 -4.54 1.48 1.85 -1.26 -0.71 116.66 113.74 1xnj n ARG 421 Ca -0.14 -0.11 -0.28 0.00 -1.00 0.00 0.00 57.85 56.32 1xnj n ARG 421 Cb 0.63 -0.50 -0.10 0.00 -1.05 0.00 0.00 32.46 31.44 1xnj n ARG 421 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1xnj s ASN 422 N -0.12 3.98 0.57 2.89 0.02 -1.26 -4.76 114.94 116.25 1xnj s ASN 422 Ca 0.00 -1.33 -0.20 0.00 -1.02 0.00 0.00 52.86 50.31 1xnj s ASN 422 Cb 0.00 -0.39 -0.04 0.00 0.02 0.00 0.00 41.25 40.84 1xnj s ASN 422 CO 0.00 -0.48 1.31 -2.84 0.02 0.00 0.00 177.10 175.11 1xnj s PRO 423 N -3.75 3.02 -0.46 -0.60 0.02 -1.26 -4.93 135.00 127.03 1xnj s PRO 423 Ca 0.35 2.10 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 1xnj s PRO 423 Cb 0.09 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.52 1xnj s PRO 423 CO 0.18 -1.24 0.80 0.08 -0.33 0.00 0.00 177.00 176.49 1xnj s VAL 424 N -1.39 4.62 0.66 3.83 1.01 -1.26 -5.04 120.40 122.83 1xnj s VAL 424 Ca 0.75 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1xnj s VAL 424 Cb -0.37 -4.35 0.08 0.00 0.00 0.00 0.00 36.38 31.74 1xnj s VAL 424 CO 0.43 -0.77 0.92 -1.38 0.00 0.00 0.00 175.10 174.30 1xnj s HIS 425 N 3.36 2.32 -1.51 5.22 -3.43 -1.26 -4.84 115.29 115.15 1xnj s HIS 425 Ca 0.30 -0.03 0.24 0.00 -0.80 0.00 0.00 55.06 54.77 1xnj s HIS 425 Cb -0.12 -2.96 1.26 0.00 -1.43 0.00 0.00 32.58 29.33 1xnj s HIS 425 CO 0.22 -1.35 1.81 0.09 -2.00 0.00 0.00 174.74 173.51 1xnj n ASN 426 N -2.68 0.00 -0.06 7.38 3.02 0.06 -1.76 115.26 121.22 1xnj n ASN 426 Ca 0.11 -0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.37 1xnj n ASN 426 Cb 0.60 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.46 1xnj n ASN 426 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1xnj h GLY 427 N 3.99 0.38 0.92 7.41 0.00 -1.89 -1.23 103.07 112.65 1xnj h GLY 427 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1xnj h GLY 427 CO 0.00 0.34 0.13 0.45 0.00 0.00 0.00 176.54 177.46 1xnj h HIS 428 N -0.01 0.47 -0.79 5.60 3.86 -1.74 -2.43 115.15 120.12 1xnj h HIS 428 Ca 0.03 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xnj h HIS 428 Cb 0.63 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1xnj h HIS 428 CO 0.08 0.44 0.52 0.00 0.86 0.00 0.00 177.93 179.83 1xnj h ALA 429 N 0.97 1.43 -0.97 2.45 0.00 -1.43 0.08 119.26 121.79 1xnj h ALA 429 Ca 0.10 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xnj h ALA 429 Cb 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1xnj h ALA 429 CO -0.01 0.53 0.62 1.25 0.00 0.00 0.00 179.25 181.64 1xnj h LEU 430 N 1.07 0.96 -0.29 0.00 5.85 -0.74 0.52 115.31 122.68 1xnj h LEU 430 Ca 0.29 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1xnj h LEU 430 Cb -0.11 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1xnj h LEU 430 CO -0.06 0.59 0.12 -0.07 -0.34 0.00 0.00 178.44 178.68 1xnj h LEU 431 N 1.08 0.39 -1.07 2.25 4.07 -0.71 0.23 115.31 121.55 1xnj h LEU 431 Ca 0.43 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.20 1xnj h LEU 431 Cb 0.26 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1xnj h LEU 431 CO -0.18 0.45 0.25 0.24 -1.08 0.00 0.00 178.44 178.12 1xnj h MET 432 N 0.32 0.91 -0.13 1.13 2.86 -0.50 -1.55 114.93 117.97 1xnj h MET 432 Ca 0.10 -0.14 -0.21 0.00 -2.06 0.00 0.00 59.70 57.38 1xnj h MET 432 Cb 0.17 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1xnj h MET 432 CO -0.01 0.74 -0.77 1.96 1.06 0.00 0.00 176.91 179.89 1xnj h GLN 433 N 0.90 0.67 -0.22 1.72 4.20 0.58 -0.77 115.11 122.19 1xnj h GLN 433 Ca 0.21 -0.55 -0.12 0.00 0.06 0.00 0.00 58.65 58.25 1xnj h GLN 433 Cb 0.17 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1xnj h GLN 433 CO -0.02 1.17 -0.36 -0.44 -0.67 0.00 0.00 178.83 178.50 1xnj h ASP 434 N 0.45 0.50 -0.40 1.46 3.45 -0.44 -1.60 116.42 119.84 1xnj h ASP 434 Ca -0.05 -0.20 -0.08 0.00 0.43 0.00 0.00 57.03 57.13 1xnj h ASP 434 Cb 1.39 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 1xnj h ASP 434 CO 0.15 0.82 -0.06 0.74 -1.57 0.00 0.00 179.24 179.32 1xnj h THR 435 N 0.40 1.27 -0.27 0.35 2.02 -1.07 0.86 112.91 116.47 1xnj h THR 435 Ca 0.04 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 1xnj h THR 435 Cb 0.82 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1xnj h THR 435 CO 0.07 0.38 0.06 -0.74 0.37 0.00 0.00 175.52 175.66 1xnj h HIS 436 N 0.56 0.38 -0.02 3.16 -0.00 -0.92 -0.60 115.15 117.71 1xnj h HIS 436 Ca 0.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1xnj h HIS 436 Cb 0.57 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1xnj h HIS 436 CO 0.05 0.34 -0.08 0.87 -0.00 0.00 0.00 177.93 179.11 1xnj h LYS 437 N 0.38 0.09 -0.97 5.26 1.57 -0.66 -2.67 116.57 119.56 1xnj h LYS 437 Ca 0.09 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1xnj h LYS 437 Cb 0.15 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 1xnj h LYS 437 CO -0.00 0.72 0.61 1.96 -0.57 0.00 0.00 179.45 182.17 1xnj h GLN 438 N -0.53 0.83 -0.40 3.15 4.20 -0.27 -2.42 115.11 119.68 1xnj h GLN 438 Ca -0.00 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1xnj h GLN 438 Cb 0.73 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1xnj h GLN 438 CO 0.02 0.55 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.33 1xnj h LEU 439 N 0.86 0.98 -0.24 1.46 3.38 -1.06 -2.64 115.31 118.05 1xnj h LEU 439 Ca 0.50 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xnj h LEU 439 Cb 0.64 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1xnj h LEU 439 CO -0.27 1.22 -0.11 -0.07 0.09 0.00 0.00 178.44 179.30 1xnj h LEU 440 N 0.75 -0.38 -1.61 1.67 3.38 -1.09 -1.66 115.31 116.36 1xnj h LEU 440 Ca 0.07 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xnj h LEU 440 Cb 0.92 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1xnj h LEU 440 CO 0.08 -0.15 0.20 -0.33 0.09 0.00 0.00 178.44 178.33 1xnj h GLU 441 N -0.08 0.46 0.00 1.13 5.08 -1.42 -1.40 114.58 118.34 1xnj h GLU 441 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xnj h GLU 441 Cb 0.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xnj h GLU 441 CO -0.29 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1xnj n ARG 442 N -4.46 0.36 0.00 2.33 1.74 -1.00 -4.89 116.66 110.74 1xnj n ARG 442 Ca 0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1xnj n ARG 442 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1xnj n ARG 442 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xnj n GLY 443 N 0.79 0.54 3.76 -0.13 0.00 -0.53 -4.91 105.19 104.71 1xnj n GLY 443 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1xnj n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnj s TYR 444 N -2.00 2.64 0.00 1.61 2.02 -0.66 -4.93 117.35 116.03 1xnj s TYR 444 Ca 0.00 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 1xnj s TYR 444 Cb 0.00 -3.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 1xnj s TYR 444 CO 0.00 -2.06 0.00 0.54 -1.57 0.00 0.00 175.55 172.46 1xnj n ARG 445 N -0.71 2.41 -3.19 -0.62 5.12 -1.26 -3.98 116.66 114.42 1xnj n ARG 445 Ca 0.09 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.77 1xnj n ARG 445 Cb 0.47 -0.76 -0.06 0.00 -1.16 0.00 0.00 32.46 30.95 1xnj n ARG 445 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1xnj n ARG 446 N -0.93 1.61 -2.01 5.56 1.74 -1.26 -5.02 116.66 116.35 1xnj n ARG 446 Ca 0.00 -3.86 -0.42 0.00 -0.77 0.00 0.00 57.85 52.80 1xnj n ARG 446 Cb 0.00 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 1xnj n ARG 446 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xnj s PRO 447 N -2.21 4.26 0.06 5.56 0.04 -1.26 -1.38 135.00 140.06 1xnj s PRO 447 Ca 0.40 2.29 0.09 0.00 0.04 0.00 0.00 61.00 63.82 1xnj s PRO 447 Cb 0.24 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1xnj s PRO 447 CO -0.09 -0.50 -0.25 0.08 0.04 0.00 0.00 177.00 176.28 1xnj s VAL 448 N 0.67 2.04 -0.17 -0.36 1.01 -0.24 -4.95 120.40 118.40 1xnj s VAL 448 Ca 0.65 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1xnj s VAL 448 Cb -0.42 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1xnj s VAL 448 CO 0.36 0.28 -0.02 -0.22 0.00 0.00 0.00 175.10 175.50 1xnj s LEU 449 N -1.35 3.24 -0.53 3.92 2.96 0.01 -1.80 118.68 125.12 1xnj s LEU 449 Ca 0.11 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 1xnj s LEU 449 Cb -0.10 -1.80 0.09 0.00 0.50 0.00 0.00 46.19 44.89 1xnj s LEU 449 CO 0.03 0.12 0.58 -0.22 -1.32 0.00 0.00 176.35 175.54 1xnj s LEU 450 N 0.64 5.48 -0.46 -0.68 2.96 -0.12 0.10 118.68 126.60 1xnj s LEU 450 Ca -0.02 -1.34 -0.25 0.00 -0.22 0.00 0.00 54.13 52.31 1xnj s LEU 450 Cb -0.14 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.27 1xnj s LEU 450 CO 0.02 -0.91 0.88 -0.22 -1.32 0.00 0.00 176.35 174.80 1xnj s LEU 451 N 2.25 4.09 -0.51 -0.68 2.96 -0.09 -0.23 118.68 126.47 1xnj s LEU 451 Ca 0.09 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.12 1xnj s LEU 451 Cb -0.24 -3.12 0.23 0.00 0.50 0.00 0.00 46.19 43.55 1xnj s LEU 451 CO 0.07 -1.01 0.56 1.57 -1.32 0.00 0.00 176.35 176.22 1xnj n HIS 452 N 7.02 1.22 -1.72 5.38 -0.00 -0.72 -1.59 115.22 124.80 1xnj n HIS 452 Ca 0.05 -3.79 -0.42 0.00 0.46 0.00 0.00 57.72 54.01 1xnj n HIS 452 Cb 0.48 -0.34 -0.01 0.00 -0.12 0.00 0.00 29.99 30.00 1xnj n HIS 452 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1xnj n PRO 453 N 1.55 2.37 -2.70 1.57 -0.04 -1.19 -3.69 135.00 132.87 1xnj n PRO 453 Ca 0.25 0.83 -0.37 0.00 -0.04 0.00 0.00 63.50 64.18 1xnj n PRO 453 Cb 0.46 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 1xnj n PRO 453 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xnj s LEU 454 N -1.08 4.26 0.00 1.53 0.20 0.12 -0.38 118.68 123.32 1xnj s LEU 454 Ca 0.58 1.90 0.00 0.00 0.69 0.00 0.00 54.13 57.30 1xnj s LEU 454 Cb -0.54 -4.09 0.00 0.00 -0.43 0.00 0.00 46.19 41.13 1xnj s LEU 454 CO 0.59 -0.22 0.09 0.61 -0.29 0.00 0.00 176.35 177.14 1xnj n GLY 455 N 0.42 0.53 0.00 7.98 0.00 0.07 -4.85 105.19 109.34 1xnj n GLY 455 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1xnj n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnj n GLY 456 N 0.21 -0.37 3.61 -0.02 0.00 -0.93 -4.94 105.19 102.76 1xnj n GLY 456 Ca 0.00 -1.75 -0.46 0.00 0.00 0.00 0.00 46.02 43.81 1xnj n GLY 456 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xnj n TRP 457 N -1.20 1.59 -4.15 1.61 -0.00 -1.26 -4.63 117.44 109.40 1xnj n TRP 457 Ca 0.00 0.61 -0.10 0.00 -0.00 0.00 0.00 57.50 58.01 1xnj n TRP 457 Cb 0.00 -2.33 -0.10 0.00 -0.00 0.00 0.00 31.31 28.88 1xnj n TRP 457 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1xnj s THR 458 N -0.45 0.37 0.77 5.87 -4.23 -1.26 -0.78 115.64 115.93 1xnj s THR 458 Ca 0.67 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 1xnj s THR 458 Cb -0.74 -1.80 0.05 0.00 1.34 0.00 0.00 72.50 71.36 1xnj s THR 458 CO 0.54 -0.74 1.08 -1.59 -0.54 0.00 0.00 174.62 173.37 1xnj s LYS 459 N -3.93 2.34 0.32 3.99 -2.85 -1.26 -4.94 119.74 113.41 1xnj s LYS 459 Ca 0.15 0.96 0.05 0.00 -1.00 0.00 0.00 55.97 56.14 1xnj s LYS 459 Cb 0.07 -1.92 0.69 0.00 -2.06 0.00 0.00 37.83 34.61 1xnj s LYS 459 CO -0.03 -1.52 1.85 -0.44 0.10 0.00 0.00 175.35 175.31 1xnj h ASP 460 N -1.03 0.79 -0.54 0.03 3.32 -2.01 -1.63 116.42 115.35 1xnj h ASP 460 Ca -0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1xnj h ASP 460 Cb 1.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1xnj h ASP 460 CO 0.55 0.41 0.00 -0.90 -1.72 0.00 0.00 179.24 177.58 1xnj n ASP 461 N -4.59 3.10 -4.85 6.45 3.85 -1.26 -4.93 116.55 114.32 1xnj n ASP 461 Ca 0.18 -2.07 -0.32 0.00 -0.71 0.00 0.00 54.79 51.88 1xnj n ASP 461 Cb 0.41 -0.39 -0.00 0.00 -1.35 0.00 0.00 41.12 39.79 1xnj n ASP 461 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1xnj s ASP 462 N -0.96 6.23 -0.01 -1.12 1.11 -0.61 -4.98 116.67 116.32 1xnj s ASP 462 Ca 0.37 1.53 -0.30 0.00 0.18 0.00 0.00 52.55 54.33 1xnj s ASP 462 Cb 0.20 -2.49 -0.05 0.00 1.07 0.00 0.00 42.92 41.65 1xnj s ASP 462 CO 0.24 -0.87 1.41 -0.69 1.18 0.00 0.00 175.17 176.44 1xnj s VAL 463 N -2.91 3.73 0.59 -1.27 1.01 -1.26 -4.96 120.40 115.33 1xnj s VAL 463 Ca 0.57 1.09 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 1xnj s VAL 463 Cb -0.11 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1xnj s VAL 463 CO 0.45 -0.01 0.61 -2.65 0.00 0.00 0.00 175.10 173.49 1xnj n PRO 464 N 5.53 0.56 -0.24 2.72 -0.02 -1.26 -4.68 135.00 137.62 1xnj n PRO 464 Ca 0.13 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.88 1xnj n PRO 464 Cb 0.44 -1.80 0.16 0.00 -0.02 0.00 0.00 33.50 32.28 1xnj n PRO 464 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xnj h LEU 465 N 0.24 0.20 -0.72 2.45 5.85 -1.93 -1.30 115.31 120.11 1xnj h LEU 465 Ca -0.46 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 1xnj h LEU 465 Cb 1.39 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 1xnj h LEU 465 CO 0.47 0.08 0.20 -0.03 -0.34 0.00 0.00 178.44 178.82 1xnj h MET 466 N 0.39 1.14 -0.24 1.25 4.05 -1.99 0.49 114.93 120.02 1xnj h MET 466 Ca 0.39 -0.26 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 1xnj h MET 466 Cb 0.58 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1xnj h MET 466 CO -0.40 0.99 -0.24 -1.49 0.23 0.00 0.00 176.91 175.99 1xnj h TRP 467 N 1.08 0.50 -0.24 1.39 4.06 -1.77 -1.93 115.95 119.04 1xnj h TRP 467 Ca 0.23 -0.10 -0.14 0.00 2.06 0.00 0.00 58.89 60.94 1xnj h TRP 467 Cb 0.34 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1xnj h TRP 467 CO 0.03 0.66 -0.39 0.00 -3.56 0.00 0.00 178.44 175.18 1xnj h ARG 468 N 0.40 0.69 -0.29 0.49 3.08 0.05 -1.69 114.38 117.12 1xnj h ARG 468 Ca 0.06 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.73 1xnj h ARG 468 Cb 0.64 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1xnj h ARG 468 CO 0.05 1.04 0.06 0.52 -1.07 0.00 0.00 179.97 180.57 1xnj h MET 469 N 0.41 0.17 -0.62 0.04 2.86 0.15 0.17 114.93 118.12 1xnj h MET 469 Ca 0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1xnj h MET 469 Cb 0.98 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1xnj h MET 469 CO 0.09 0.11 0.41 0.87 1.06 0.00 0.00 176.91 179.45 1xnj h LYS 470 N 0.17 0.77 -0.45 1.72 1.57 -1.26 0.35 116.57 119.44 1xnj h LYS 470 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1xnj h LYS 470 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1xnj h LYS 470 CO -0.17 0.51 -0.01 0.37 -0.57 0.00 0.00 179.45 179.59 1xnj h GLN 471 N 0.79 0.75 -0.10 3.15 -0.00 -0.87 -1.67 115.11 117.17 1xnj h GLN 471 Ca 0.23 -0.20 -0.22 0.00 -0.00 0.00 0.00 58.65 58.46 1xnj h GLN 471 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 27.48 27.37 1xnj h GLN 471 CO -0.06 0.77 -0.80 0.45 0.00 0.00 0.00 178.83 179.18 1xnj h HIS 472 N 0.70 1.00 -0.91 3.99 -0.00 0.16 -2.21 115.15 117.88 1xnj h HIS 472 Ca 0.14 -0.47 0.13 0.00 -0.00 0.00 0.00 60.37 60.16 1xnj h HIS 472 Cb 0.44 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.64 1xnj h HIS 472 CO 0.02 1.30 0.59 0.00 -0.00 0.00 0.00 177.93 179.84 1xnj h ALA 473 N 0.49 1.72 -0.25 2.45 0.00 -0.82 -1.63 119.26 121.22 1xnj h ALA 473 Ca -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1xnj h ALA 473 Cb 1.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xnj h ALA 473 CO 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 1xnj h ALA 474 N 1.58 1.43 -0.12 0.00 0.00 -0.93 -0.60 119.26 120.61 1xnj h ALA 474 Ca 0.45 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1xnj h ALA 474 Cb 0.60 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xnj h ALA 474 CO -0.21 0.40 -0.79 0.28 0.00 0.00 0.00 179.25 178.92 1xnj h VAL 475 N 0.38 1.30 -0.26 0.00 2.07 -0.70 -1.71 116.25 117.32 1xnj h VAL 475 Ca 0.08 -2.04 -0.16 0.00 0.82 0.00 0.00 66.70 65.40 1xnj h VAL 475 Cb 0.35 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1xnj h VAL 475 CO 0.02 0.64 -0.48 -0.07 0.02 0.00 0.00 177.57 177.70 1xnj h LEU 476 N 0.47 0.76 -1.83 2.57 4.07 -1.22 -2.66 115.31 117.47 1xnj h LEU 476 Ca -0.05 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.52 1xnj h LEU 476 Cb 1.41 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 1xnj h LEU 476 CO 0.16 1.11 -0.05 -0.08 -1.08 0.00 0.00 178.44 178.50 1xnj h GLU 477 N 0.55 0.05 -0.00 1.13 4.81 -1.00 -0.52 114.58 119.60 1xnj h GLU 477 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xnj h GLU 477 Cb 1.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1xnj h GLU 477 CO 0.10 0.10 -0.16 0.39 -0.73 0.00 0.00 179.01 178.71 1xnj n GLU 478 N -4.45 0.43 -1.00 1.92 -0.58 -0.65 -4.93 120.64 111.36 1xnj n GLU 478 Ca -0.02 -0.15 -0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1xnj n GLU 478 Cb 0.15 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1xnj n GLU 478 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xnj n GLY 479 N 1.37 0.46 0.30 0.62 0.00 -0.20 -4.87 105.19 102.86 1xnj n GLY 479 Ca 0.11 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1xnj n GLY 479 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xnj h VAL 480 N 0.00 0.77 -4.06 1.61 2.07 -1.76 -3.39 116.25 111.49 1xnj h VAL 480 Ca -0.00 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.09 1xnj h VAL 480 Cb 0.08 0.93 -0.26 0.00 -1.52 0.00 0.00 31.29 30.53 1xnj h VAL 480 CO 0.00 0.00 -0.79 -0.76 0.02 0.00 0.00 177.57 176.04 1xnj s LEU 481 N -8.48 2.13 -0.32 2.57 1.43 -1.25 -5.00 118.68 109.77 1xnj s LEU 481 Ca -0.05 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 1xnj s LEU 481 Cb 0.17 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1xnj s LEU 481 CO 0.63 0.05 0.82 0.21 0.23 0.00 0.00 176.35 178.29 1xnj s ASN 482 N -0.92 6.68 0.62 2.29 3.84 -1.26 -4.47 114.94 121.72 1xnj s ASN 482 Ca 0.02 0.67 0.34 0.00 0.21 0.00 0.00 52.86 54.10 1xnj s ASN 482 Cb -0.07 -2.42 1.98 0.00 -0.55 0.00 0.00 41.25 40.19 1xnj s ASN 482 CO 0.01 -0.66 2.25 1.55 -2.79 0.00 0.00 177.10 177.45 1xnj h PRO 483 N 8.16 0.00 0.00 0.43 0.13 -1.88 -2.40 132.00 136.44 1xnj h PRO 483 Ca -0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.69 1xnj h PRO 483 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1xnj h PRO 483 CO 0.90 0.00 -0.97 0.93 -0.23 0.00 0.00 178.00 178.63 1xnj h GLU 484 N 0.00 0.00 -0.54 0.86 5.08 -1.98 -3.18 114.58 114.81 1xnj h GLU 484 Ca 0.02 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1xnj h GLU 484 Cb 0.13 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1xnj h GLU 484 CO -0.00 0.97 0.13 0.25 -1.00 0.00 0.00 179.01 179.36 1xnj n THR 485 N -3.37 2.70 -4.04 1.13 -2.24 -0.92 -4.99 114.28 102.55 1xnj n THR 485 Ca -0.00 -1.85 -0.21 0.00 -2.27 0.00 0.00 64.05 59.72 1xnj n THR 485 Cb 0.92 -0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 68.66 1xnj n THR 485 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xnj s THR 486 N -2.97 0.52 -0.21 4.28 2.01 -1.15 -0.81 115.64 117.31 1xnj s THR 486 Ca 0.50 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 1xnj s THR 486 Cb 0.41 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1xnj s THR 486 CO 0.10 0.24 0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 1xnj s VAL 487 N 1.24 4.56 -0.27 3.82 1.01 0.28 -4.84 120.40 126.20 1xnj s VAL 487 Ca -0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1xnj s VAL 487 Cb -0.14 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1xnj s VAL 487 CO -0.02 0.40 0.21 -0.69 0.00 0.00 0.00 175.10 175.00 1xnj s VAL 488 N 0.98 5.30 0.12 2.92 1.01 -1.26 -0.91 120.40 128.56 1xnj s VAL 488 Ca 0.04 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1xnj s VAL 488 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1xnj s VAL 488 CO 0.03 0.26 0.20 0.00 0.00 0.00 0.00 175.10 175.59 1xnj s ALA 489 N 1.64 0.04 -0.20 5.51 0.00 -0.62 -4.84 121.76 123.28 1xnj s ALA 489 Ca 0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1xnj s ALA 489 Cb -0.15 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1xnj s ALA 489 CO 0.09 -0.55 -0.01 0.42 0.00 0.00 0.00 175.76 175.71 1xnj s ILE 490 N -3.93 3.82 -0.11 0.00 1.01 -0.42 -3.14 121.20 118.43 1xnj s ILE 490 Ca 0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 1xnj s ILE 490 Cb 0.05 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1xnj s ILE 490 CO -0.05 0.43 1.00 0.12 0.00 0.00 0.00 174.94 176.44 1xnj s PHE 491 N 1.05 3.50 -2.06 3.97 5.36 0.49 -4.42 117.98 125.86 1xnj s PHE 491 Ca 0.02 1.57 0.20 0.00 -0.96 0.00 0.00 56.93 57.76 1xnj s PHE 491 Cb -0.14 -3.18 1.12 0.00 -0.34 0.00 0.00 43.02 40.48 1xnj s PHE 491 CO 0.01 -0.23 1.73 -0.35 -1.46 0.00 0.00 175.22 174.92 1xnj n PRO 492 N 5.06 1.14 -2.36 10.12 -0.04 -1.26 -0.75 135.00 146.91 1xnj n PRO 492 Ca 0.09 -0.22 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 1xnj n PRO 492 Cb 0.49 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1xnj n PRO 492 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xnj s SER 493 N -1.63 6.54 0.58 3.54 0.15 -1.26 -3.78 113.70 117.83 1xnj s SER 493 Ca 0.31 2.25 -0.20 0.00 0.70 0.00 0.00 55.95 59.01 1xnj s SER 493 Cb 0.15 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1xnj s SER 493 CO 0.24 -0.66 1.10 -2.65 1.20 0.00 0.00 173.24 172.48 1xnj n PRO 494 N -0.05 1.15 -3.30 5.44 -0.02 -1.26 -2.18 135.00 134.78 1xnj n PRO 494 Ca 0.05 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.58 1xnj n PRO 494 Cb 0.48 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1xnj n PRO 494 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xnj s MET 495 N -2.80 4.29 -0.07 -0.52 1.75 0.04 -4.87 119.30 117.12 1xnj s MET 495 Ca 0.75 0.43 0.18 0.00 -1.25 0.00 0.00 55.69 55.79 1xnj s MET 495 Cb -0.43 -3.47 -0.27 0.00 2.84 0.00 0.00 34.83 33.50 1xnj s MET 495 CO 0.47 0.07 0.32 -1.33 -0.65 0.00 0.00 175.02 173.90 1xnj n MET 496 N 4.00 0.72 -3.40 4.11 2.81 -1.26 -4.76 117.12 119.34 1xnj n MET 496 Ca -0.07 -0.13 -0.21 0.00 -1.81 0.00 0.00 57.70 55.49 1xnj n MET 496 Cb 0.51 -1.45 0.06 0.00 -0.71 0.00 0.00 33.22 31.63 1xnj n MET 496 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1xnj n TYR 497 N -2.29 -2.28 -1.64 2.03 4.01 -1.26 -4.63 117.16 111.09 1xnj n TYR 497 Ca -0.10 0.72 0.06 0.00 -0.16 0.00 0.00 57.90 58.42 1xnj n TYR 497 Cb 0.65 -3.87 0.12 0.00 -0.31 0.00 0.00 39.34 35.93 1xnj n TYR 497 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xnj n ALA 498 N -3.53 2.75 -0.32 -0.72 0.00 -1.18 -4.82 120.51 112.69 1xnj n ALA 498 Ca -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1xnj n ALA 498 Cb 0.61 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1xnj n ALA 498 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 499 N -0.78 2.59 0.36 0.00 0.00 -0.37 -1.76 105.19 105.23 1xnj n GLY 499 Ca 0.13 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 46.23 1xnj n GLY 499 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnj h PRO 500 N 0.00 0.00 -0.02 1.61 0.13 -1.90 0.87 132.00 132.70 1xnj h PRO 500 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1xnj h PRO 500 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1xnj h PRO 500 CO 0.00 0.00 -0.87 1.15 -0.23 0.00 0.00 178.00 178.05 1xnj h THR 501 N 0.00 1.32 0.00 1.56 2.02 -1.63 -3.32 112.91 112.86 1xnj h THR 501 Ca 0.12 -2.15 -0.17 0.00 0.77 0.00 0.00 66.41 64.97 1xnj h THR 501 Cb 0.82 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1xnj h THR 501 CO -0.00 0.66 -0.82 -0.08 0.37 0.00 0.00 175.52 175.64 1xnj h GLU 502 N 0.25 0.00 0.00 6.66 4.81 -0.92 -3.14 114.58 122.24 1xnj h GLU 502 Ca -0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1xnj h GLU 502 Cb 1.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.92 1xnj h GLU 502 CO 0.17 0.82 -0.14 -0.24 -0.73 0.00 0.00 179.01 178.90 1xnj h VAL 503 N 0.00 0.89 -0.13 0.32 3.04 -0.99 0.23 116.25 119.60 1xnj h VAL 503 Ca -0.01 -0.51 -0.13 0.00 -1.01 0.00 0.00 66.70 65.05 1xnj h VAL 503 Cb 1.59 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 1xnj h VAL 503 CO 0.11 0.14 -0.47 1.56 -1.01 0.00 0.00 177.57 177.89 1xnj h GLN 504 N 0.00 0.32 -0.08 4.17 4.20 -1.65 0.20 115.11 122.28 1xnj h GLN 504 Ca -0.00 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1xnj h GLN 504 Cb 0.28 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1xnj h GLN 504 CO 0.02 0.73 -0.18 2.35 -0.67 0.00 0.00 178.83 181.08 1xnj h TRP 505 N 0.26 0.34 -0.18 2.96 2.91 -0.74 -0.16 115.95 121.33 1xnj h TRP 505 Ca 0.02 -0.12 0.05 0.00 1.13 0.00 0.00 58.89 59.97 1xnj h TRP 505 Cb 0.93 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.45 1xnj h TRP 505 CO 0.02 0.78 -0.28 0.45 -1.03 0.00 0.00 178.44 178.38 1xnj h HIS 506 N -0.20 -0.77 0.49 2.65 3.86 -0.75 -1.52 115.15 118.90 1xnj h HIS 506 Ca 0.00 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1xnj h HIS 506 Cb 0.77 0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1xnj h HIS 506 CO 0.11 -0.36 -0.36 0.00 0.86 0.00 0.00 177.93 178.19 1xnj h ARG 508 N -0.83 0.60 -0.30 0.00 -0.00 -1.00 -0.55 114.38 112.30 1xnj h ARG 508 Ca -0.05 -0.04 -0.11 0.00 -0.00 0.00 0.00 59.98 59.79 1xnj h ARG 508 Cb 0.70 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.52 1xnj h ARG 508 CO 0.02 0.40 -0.25 0.00 -0.00 0.00 0.00 179.97 180.13 1xnj h ALA 509 N 1.61 0.99 0.00 0.08 0.00 -1.29 -1.71 119.26 118.94 1xnj h ALA 509 Ca 0.47 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1xnj h ALA 509 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xnj h ALA 509 CO -0.22 0.60 -0.55 0.00 0.00 0.00 0.00 179.25 179.07 1xnj h ARG 510 N 0.52 0.00 -0.50 0.00 -0.00 -1.03 -2.73 114.38 110.64 1xnj h ARG 510 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.52 1xnj h ARG 510 Cb 0.72 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.66 1xnj h ARG 510 CO 0.05 0.55 0.19 1.98 0.00 0.00 0.00 179.97 182.75 1xnj h MET 511 N 0.00 0.72 0.00 0.04 1.85 -0.79 -0.56 114.93 116.19 1xnj h MET 511 Ca -0.01 -0.11 -0.11 0.00 -0.61 0.00 0.00 59.70 58.87 1xnj h MET 511 Cb 1.24 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 33.13 1xnj h MET 511 CO 0.07 0.60 -0.54 0.28 -0.40 0.00 0.00 176.91 176.93 1xnj h VAL 512 N 0.71 1.01 -0.09 -5.77 2.07 -1.11 -1.77 116.25 111.31 1xnj h VAL 512 Ca 0.17 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1xnj h VAL 512 Cb 0.16 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1xnj h VAL 512 CO -0.02 0.53 0.00 0.00 0.02 0.00 0.00 177.57 178.10 1xnj n ALA 513 N -2.27 2.56 -0.11 1.67 0.00 -0.36 -4.78 120.51 117.23 1xnj n ALA 513 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1xnj n ALA 513 Cb 0.69 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1xnj n ALA 513 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 514 N 1.02 0.94 3.77 0.00 0.00 -0.66 -4.34 105.19 105.91 1xnj n GLY 514 Ca 0.16 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1xnj n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj s ALA 515 N -2.00 2.79 -0.03 4.61 0.00 -0.37 -4.77 121.76 121.99 1xnj s ALA 515 Ca 0.00 0.92 0.12 0.00 0.00 0.00 0.00 51.96 52.99 1xnj s ALA 515 Cb 0.00 -3.39 -0.18 0.00 0.00 0.00 0.00 23.12 19.55 1xnj s ALA 515 CO 0.00 -0.81 0.24 0.09 0.00 0.00 0.00 175.76 175.28 1xnj n ASN 516 N -1.02 2.30 -3.92 0.00 4.13 0.77 -4.65 115.26 112.87 1xnj n ASN 516 Ca 0.10 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.23 1xnj n ASN 516 Cb 0.49 1.46 -0.14 0.00 -1.54 0.00 0.00 39.78 40.06 1xnj n ASN 516 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1xnj s PHE 517 N -2.77 0.24 -0.15 3.10 0.40 -0.23 -1.46 117.98 117.13 1xnj s PHE 517 Ca -0.04 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1xnj s PHE 517 Cb 0.07 -0.16 0.04 0.00 0.51 0.00 0.00 43.02 43.48 1xnj s PHE 517 CO 0.49 -0.02 -0.04 -0.47 0.70 0.00 0.00 175.22 175.88 1xnj s TYR 518 N -0.19 1.46 0.09 0.36 5.04 -0.04 -1.19 117.35 122.87 1xnj s TYR 518 Ca -0.00 -0.88 -0.24 0.00 -2.44 0.00 0.00 57.07 53.50 1xnj s TYR 518 Cb -0.02 -1.20 -0.06 0.00 0.35 0.00 0.00 41.96 41.02 1xnj s TYR 518 CO -0.00 -0.56 0.74 0.42 -1.34 0.00 0.00 175.55 174.81 1xnj s ILE 519 N 1.71 4.61 -0.12 3.14 1.01 -1.02 -0.65 121.20 129.88 1xnj s ILE 519 Ca 0.02 1.60 -0.09 0.00 0.00 0.00 0.00 60.65 62.18 1xnj s ILE 519 Cb -0.15 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.27 1xnj s ILE 519 CO -0.07 0.44 0.30 0.54 0.00 0.00 0.00 174.94 176.14 1xnj s VAL 520 N -0.55 -0.02 0.00 2.92 0.11 -0.85 -4.68 120.40 117.33 1xnj s VAL 520 Ca 0.36 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1xnj s VAL 520 Cb -0.21 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1xnj s VAL 520 CO 0.23 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 1xnj n GLY 521 N 3.54 3.70 3.81 6.54 0.00 -1.26 -0.83 105.19 120.69 1xnj n GLY 521 Ca -0.18 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1xnj n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xnj s ARG 522 N 4.52 4.24 -1.38 1.61 3.00 -1.26 -4.33 118.95 125.36 1xnj s ARG 522 Ca 0.00 0.84 -0.13 0.00 -1.00 0.00 0.00 55.73 55.44 1xnj s ARG 522 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 34.95 32.00 1xnj s ARG 522 CO 0.00 0.45 0.36 -3.47 0.00 0.00 0.00 175.30 172.64 1xnj n ASP 523 N 0.92 -1.43 -4.76 -2.12 4.64 0.06 -4.87 116.55 108.99 1xnj n ASP 523 Ca -0.04 -1.22 -0.41 0.00 -1.38 0.00 0.00 54.79 51.75 1xnj n ASP 523 Cb 0.51 -2.04 -0.03 0.00 -1.04 0.00 0.00 41.12 38.52 1xnj n ASP 523 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1xnj s PRO 524 N -7.13 4.47 -1.93 -0.67 0.04 -1.26 -2.36 135.00 126.15 1xnj s PRO 524 Ca 0.20 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1xnj s PRO 524 Cb -0.10 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1xnj s PRO 524 CO 0.96 -0.03 0.00 0.00 0.04 0.00 0.00 177.00 177.97 1xnj n ALA 525 N 1.11 -0.34 -2.03 8.56 0.00 -1.26 -4.19 120.51 122.36 1xnj n ALA 525 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1xnj n ALA 525 Cb 0.43 -1.94 0.08 0.00 0.00 0.00 0.00 19.45 18.02 1xnj n ALA 525 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnj s GLY 526 N -2.67 1.71 0.13 0.00 0.00 -1.00 -1.24 107.32 104.25 1xnj s GLY 526 Ca 0.00 -2.15 -0.25 0.00 0.00 0.00 0.00 44.72 42.32 1xnj s GLY 526 CO 0.00 -1.63 0.83 -3.16 0.00 0.00 0.00 173.10 169.13 1xnj s MET 527 N -4.78 1.20 0.44 2.90 0.23 -1.26 -4.95 119.30 113.08 1xnj s MET 527 Ca 0.63 -0.57 -0.24 0.00 -1.03 0.00 0.00 55.69 54.48 1xnj s MET 527 Cb -0.05 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.64 1xnj s MET 527 CO 0.41 -0.54 1.21 -2.14 -2.03 0.00 0.00 175.02 171.92 1xnj s PRO 528 N -3.43 3.84 0.13 3.16 0.02 -1.26 -1.93 135.00 135.52 1xnj s PRO 528 Ca 0.08 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.68 1xnj s PRO 528 Cb -0.02 -2.55 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 1xnj s PRO 528 CO -0.03 -0.51 1.48 -1.58 -0.33 0.00 0.00 177.00 176.02 1xnj s HIS 529 N -1.43 3.10 0.23 6.54 2.46 0.13 -4.69 115.29 121.63 1xnj s HIS 529 Ca 0.61 0.77 0.33 0.00 0.47 0.00 0.00 55.06 57.24 1xnj s HIS 529 Cb -0.32 -3.80 1.46 0.00 -0.13 0.00 0.00 32.58 29.79 1xnj s HIS 529 CO 0.39 -2.91 2.03 -1.35 -2.47 0.00 0.00 174.74 170.43 1xnj h PRO 530 N 6.95 0.00 0.13 2.88 0.11 -1.90 0.13 132.00 140.31 1xnj h PRO 530 Ca -0.42 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.48 1xnj h PRO 530 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 1xnj h PRO 530 CO 0.89 0.05 -0.96 0.93 -0.21 0.00 0.00 178.00 178.70 1xnj h GLU 531 N 0.00 0.28 0.00 1.05 4.39 -1.96 -3.40 114.58 114.94 1xnj h GLU 531 Ca -0.00 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1xnj h GLU 531 Cb 0.46 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1xnj h GLU 531 CO 0.01 1.23 -1.33 0.25 -1.16 0.00 0.00 179.01 178.01 1xnj n THR 532 N -4.09 0.00 -0.65 1.13 -2.24 -1.19 -4.96 114.28 102.28 1xnj n THR 532 Ca -0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1xnj n THR 532 Cb 0.84 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1xnj n THR 532 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xnj n GLY 533 N 1.43 0.04 3.81 3.38 0.00 0.46 -4.97 105.19 109.35 1xnj n GLY 533 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xnj n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnj s LYS 534 N -1.21 3.80 -0.48 1.61 1.02 -1.26 -4.58 119.74 118.64 1xnj s LYS 534 Ca 0.00 1.17 -0.46 0.00 0.02 0.00 0.00 55.97 56.70 1xnj s LYS 534 Cb 0.00 -2.11 -0.20 0.00 -0.52 0.00 0.00 37.83 35.01 1xnj s LYS 534 CO 0.00 -0.41 1.57 -0.25 -0.92 0.00 0.00 175.35 175.34 1xnj n ASP 535 N -1.34 1.16 -0.16 2.83 8.00 -1.26 0.18 116.55 125.96 1xnj n ASP 535 Ca 0.08 1.18 0.03 0.00 0.71 0.00 0.00 54.79 56.78 1xnj n ASP 535 Cb 0.53 -0.87 0.31 0.00 -0.02 0.00 0.00 41.12 41.06 1xnj n ASP 535 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xnj h LEU 536 N 4.89 0.74 -9.39 0.64 5.85 -1.66 -3.43 115.31 112.95 1xnj h LEU 536 Ca -0.44 -0.01 -0.60 0.00 0.84 0.00 0.00 57.88 57.67 1xnj h LEU 536 Cb 1.36 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 42.09 1xnj h LEU 536 CO 0.96 0.52 -0.70 -0.31 -0.34 0.00 0.00 178.44 178.57 1xnj s TYR 537 N -5.74 2.62 0.05 1.25 1.51 -1.26 -4.98 117.35 110.79 1xnj s TYR 537 Ca -0.10 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 1xnj s TYR 537 Cb 0.18 -1.22 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1xnj s TYR 537 CO 0.77 0.57 1.11 -2.00 -1.11 0.00 0.00 175.55 174.89 1xnj s GLU 538 N -3.19 4.49 0.09 -0.62 -6.30 -1.26 -4.91 118.70 106.99 1xnj s GLU 538 Ca 0.28 1.64 0.19 0.00 -2.50 0.00 0.00 54.97 54.57 1xnj s GLU 538 Cb -0.08 -3.38 0.78 0.00 0.00 0.00 0.00 34.13 31.45 1xnj s GLU 538 CO 0.17 -0.15 1.58 -0.35 0.02 0.00 0.00 175.26 176.53 1xnj n PRO 539 N 3.77 0.07 0.00 4.30 -0.04 -1.26 -1.75 135.00 140.08 1xnj n PRO 539 Ca 0.07 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1xnj n PRO 539 Cb 0.48 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1xnj n PRO 539 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnj n SER 540 N -1.75 1.38 -0.13 3.54 3.41 -1.26 -0.76 113.62 118.05 1xnj n SER 540 Ca 0.03 -1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 57.44 1xnj n SER 540 Cb 0.21 0.65 0.11 0.00 -0.26 0.00 0.00 64.21 64.91 1xnj n SER 540 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xnj h HIS 541 N 1.10 0.94 0.05 7.33 3.86 -1.74 -2.27 115.15 124.42 1xnj h HIS 541 Ca 0.00 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1xnj h HIS 541 Cb 0.61 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1xnj h HIS 541 CO 0.00 0.88 -0.32 0.78 0.86 0.00 0.00 177.93 180.13 1xnj h GLY 542 N 0.98 -0.57 0.95 2.45 0.00 -1.76 0.34 103.07 105.46 1xnj h GLY 542 Ca 0.14 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 1xnj h GLY 542 CO 0.03 -0.24 0.13 0.00 0.00 0.00 0.00 176.54 176.47 1xnj h ALA 543 N 0.19 0.32 -0.63 3.60 0.00 -1.77 -0.30 119.26 120.66 1xnj h ALA 543 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1xnj h ALA 543 Cb 0.56 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1xnj h ALA 543 CO -0.23 -0.15 0.31 0.87 0.00 0.00 0.00 179.25 180.05 1xnj h LYS 544 N 0.28 0.55 -0.53 0.00 1.57 -1.10 -1.05 116.57 116.29 1xnj h LYS 544 Ca 0.09 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1xnj h LYS 544 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1xnj h LYS 544 CO -0.01 0.36 0.10 0.28 -0.57 0.00 0.00 179.45 179.61 1xnj h VAL 545 N 0.57 1.25 -0.25 0.50 2.07 -0.32 -3.14 116.25 116.93 1xnj h VAL 545 Ca 0.30 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1xnj h VAL 545 Cb 0.27 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xnj h VAL 545 CO -0.23 0.34 -0.16 0.25 0.02 0.00 0.00 177.57 177.80 1xnj h LEU 546 N 0.76 0.57 -2.21 2.57 5.85 -0.66 -0.51 115.31 121.68 1xnj h LEU 546 Ca 0.16 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1xnj h LEU 546 Cb 0.39 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xnj h LEU 546 CO 0.01 0.88 0.23 0.71 -0.34 0.00 0.00 178.44 179.92 1xnj h THR 547 N 0.26 0.43 -0.16 1.05 1.35 -1.24 -2.59 112.91 112.01 1xnj h THR 547 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1xnj h THR 547 Cb 0.68 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1xnj h THR 547 CO 0.04 0.00 0.00 1.15 -0.25 0.00 0.00 175.52 176.46 1xnj n MET 548 N -3.74 1.58 -2.31 4.72 -0.00 -0.90 -5.00 117.12 111.46 1xnj n MET 548 Ca 0.02 -1.60 -0.38 0.00 -0.00 0.00 0.00 57.70 55.74 1xnj n MET 548 Cb 0.35 -1.27 -0.02 0.00 -0.00 0.00 0.00 33.22 32.28 1xnj n MET 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xnj s ALA 549 N -1.04 3.12 0.60 3.17 0.00 -0.25 -4.99 121.76 122.37 1xnj s ALA 549 Ca 0.19 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 1xnj s ALA 549 Cb 0.12 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1xnj s ALA 549 CO 0.17 -0.52 1.00 -1.25 0.00 0.00 0.00 175.76 175.16 1xnj s PRO 550 N -2.38 3.59 0.00 0.00 0.04 -1.26 -4.34 135.00 130.65 1xnj s PRO 550 Ca 0.58 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1xnj s PRO 550 Cb -0.29 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1xnj s PRO 550 CO 0.37 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1xnj n GLY 551 N -2.69 0.48 2.57 0.56 0.00 -1.26 -4.22 105.19 100.63 1xnj n GLY 551 Ca 0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1xnj n GLY 551 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnj n LEU 552 N 0.00 2.85 0.06 0.99 4.77 -1.26 -1.34 117.00 123.07 1xnj n LEU 552 Ca 0.00 -4.85 -0.01 0.00 -0.03 0.00 0.00 56.01 51.12 1xnj n LEU 552 Cb 0.00 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1xnj n LEU 552 CO 0.00 2.09 -0.04 0.16 -1.33 0.00 0.00 177.39 178.27 1xnj h ILE 553 N 2.42 0.75 -0.11 -0.08 -2.65 -1.91 -3.31 117.51 112.62 1xnj h ILE 553 Ca 0.10 -2.26 0.00 0.00 1.03 0.00 0.00 64.86 63.74 1xnj h ILE 553 Cb 0.91 2.26 0.00 0.00 -2.05 0.00 0.00 36.82 37.94 1xnj h ILE 553 CO 0.66 0.43 0.00 0.35 0.03 0.00 0.00 178.15 179.62 1xnj n THR 554 N -3.05 0.41 -3.84 0.16 -2.24 -1.26 -4.84 114.28 99.62 1xnj n THR 554 Ca -0.06 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 1xnj n THR 554 Cb 0.84 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1xnj n THR 554 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1xnj s LEU 555 N -0.59 0.89 -0.12 3.22 2.34 -1.25 -4.71 118.68 118.45 1xnj s LEU 555 Ca 0.09 -0.66 -0.03 0.00 0.06 0.00 0.00 54.13 53.60 1xnj s LEU 555 Cb 0.07 1.38 -0.03 0.00 -0.56 0.00 0.00 46.19 47.05 1xnj s LEU 555 CO 0.03 -0.86 -0.03 -0.70 -1.06 0.00 0.00 176.35 173.74 1xnj s GLU 556 N -3.89 3.34 -0.01 1.48 2.12 -0.53 -4.98 118.70 116.23 1xnj s GLU 556 Ca 0.10 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 54.70 1xnj s GLU 556 Cb 0.03 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 1xnj s GLU 556 CO -0.06 0.45 0.78 0.42 -0.54 0.00 0.00 175.26 176.30 1xnj s ILE 557 N -0.19 4.89 -0.54 -3.70 -1.09 -1.26 -0.86 121.20 118.44 1xnj s ILE 557 Ca 0.04 1.63 -0.04 0.00 -2.23 0.00 0.00 60.65 60.04 1xnj s ILE 557 Cb -0.13 -4.12 0.14 0.00 -1.58 0.00 0.00 42.46 36.77 1xnj s ILE 557 CO 0.02 0.28 0.36 -0.69 -1.23 0.00 0.00 174.94 173.69 1xnj s VAL 558 N 0.49 3.74 0.19 2.92 1.01 0.17 -4.89 120.40 124.03 1xnj s VAL 558 Ca 0.40 -2.45 -0.20 0.00 0.00 0.00 0.00 61.98 59.73 1xnj s VAL 558 Cb -0.19 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 1xnj s VAL 558 CO 0.22 -0.81 0.70 -2.16 0.00 0.00 0.00 175.10 173.06 1xnj s PRO 559 N 0.57 4.29 0.07 2.72 0.04 -1.26 -2.01 135.00 139.42 1xnj s PRO 559 Ca 0.12 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.12 1xnj s PRO 559 Cb -0.21 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1xnj s PRO 559 CO -0.04 0.46 -0.20 -0.06 0.04 0.00 0.00 177.00 177.21 1xnj s PHE 560 N -1.40 1.74 0.71 0.56 0.40 -0.01 -4.94 117.98 115.05 1xnj s PHE 560 Ca 0.40 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 1xnj s PHE 560 Cb -0.18 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.40 1xnj s PHE 560 CO 0.22 0.13 1.06 1.03 0.70 0.00 0.00 175.22 178.36 1xnj s ARG 561 N -1.49 2.38 0.11 0.44 0.52 -1.26 -4.14 118.95 115.50 1xnj s ARG 561 Ca 0.06 0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.98 1xnj s ARG 561 Cb -0.09 -2.10 -0.08 0.00 0.52 0.00 0.00 34.95 33.20 1xnj s ARG 561 CO 0.03 -1.21 1.39 0.54 0.02 0.00 0.00 175.30 176.07 1xnj s VAL 562 N -3.32 3.34 -0.10 3.52 0.11 -1.26 -4.74 120.40 117.96 1xnj s VAL 562 Ca 0.59 0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 60.53 1xnj s VAL 562 Cb -0.11 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1xnj s VAL 562 CO 0.47 0.07 0.15 0.00 -3.33 0.00 0.00 175.10 172.46 1xnj s ALA 563 N 1.19 3.90 0.23 1.54 0.00 -1.26 -1.28 121.76 126.08 1xnj s ALA 563 Ca 0.64 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1xnj s ALA 563 Cb -0.36 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1xnj s ALA 563 CO 0.30 0.65 0.41 0.00 0.00 0.00 0.00 175.76 177.11 1xnj s ALA 564 N -1.09 -0.04 -0.16 0.00 0.00 0.62 -4.90 121.76 116.19 1xnj s ALA 564 Ca 0.17 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1xnj s ALA 564 Cb -0.12 1.09 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 1xnj s ALA 564 CO 0.07 -0.79 1.03 -0.47 0.00 0.00 0.00 175.76 175.60 1xnj s TYR 565 N -4.03 3.42 -0.45 0.00 5.04 -0.43 -1.22 117.35 119.68 1xnj s TYR 565 Ca 0.24 1.52 -0.21 0.00 -2.44 0.00 0.00 57.07 56.19 1xnj s TYR 565 Cb 0.01 -3.23 0.03 0.00 0.35 0.00 0.00 41.96 39.12 1xnj s TYR 565 CO 0.08 -0.38 0.66 1.21 -1.34 0.00 0.00 175.55 175.78 1xnj s ASN 566 N 1.16 6.31 0.21 4.32 3.84 0.37 0.39 114.94 131.53 1xnj s ASN 566 Ca 0.47 -0.42 -0.10 0.00 0.21 0.00 0.00 52.86 53.02 1xnj s ASN 566 Cb -0.17 -2.32 0.23 0.00 -0.55 0.00 0.00 41.25 38.44 1xnj s ASN 566 CO 0.13 -0.82 1.81 0.11 -2.79 0.00 0.00 177.10 175.54 1xnj h LYS 567 N 8.92 0.67 -0.33 0.43 1.57 0.50 0.47 116.57 128.81 1xnj h LYS 567 Ca -0.26 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 1xnj h LYS 567 Cb 1.09 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xnj h LYS 567 CO 0.92 0.45 -0.45 0.87 -0.57 0.00 0.00 179.45 180.66 1xnj h LYS 568 N 0.69 0.86 -0.00 3.15 1.57 -1.93 -3.02 116.57 117.89 1xnj h LYS 568 Ca 0.29 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1xnj h LYS 568 Cb 0.17 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xnj h LYS 568 CO -0.17 1.13 -0.61 1.63 -0.57 0.00 0.00 179.45 180.85 1xnj n LYS 569 N -4.03 0.09 -3.48 3.15 5.02 -1.08 -4.95 118.16 112.87 1xnj n LYS 569 Ca -0.03 -0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 55.95 1xnj n LYS 569 Cb 0.58 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.12 1xnj n LYS 569 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xnj n LYS 570 N -1.40 -5.42 -3.99 1.97 4.01 0.16 -4.97 118.16 108.52 1xnj n LYS 570 Ca 0.06 0.71 -0.09 0.00 -0.51 0.00 0.00 58.31 58.48 1xnj n LYS 570 Cb 0.34 -5.59 -0.05 0.00 -0.51 0.00 0.00 35.03 29.21 1xnj n LYS 570 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1xnj s ARG 571 N -6.17 1.57 0.02 1.97 1.70 -1.09 -4.44 118.95 112.50 1xnj s ARG 571 Ca 0.49 -1.23 -0.28 0.00 -0.47 0.00 0.00 55.73 54.24 1xnj s ARG 571 Cb -0.24 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1xnj s ARG 571 CO 0.61 -0.66 0.91 -1.64 -1.08 0.00 0.00 175.30 173.44 1xnj s MET 572 N -4.01 4.57 0.26 3.89 -1.94 -1.26 0.14 119.30 120.95 1xnj s MET 572 Ca 0.22 1.31 -0.08 0.00 -1.71 0.00 0.00 55.69 55.43 1xnj s MET 572 Cb -0.01 -3.43 -0.01 0.00 2.01 0.00 0.00 34.83 33.39 1xnj s MET 572 CO 0.09 0.07 0.40 0.34 -0.01 0.00 0.00 175.02 175.91 1xnj s ASP 573 N 0.61 0.18 0.28 3.03 3.68 -0.36 -4.86 116.67 119.23 1xnj s ASP 573 Ca 0.47 -1.15 -0.29 0.00 2.13 0.00 0.00 52.55 53.70 1xnj s ASP 573 Cb -0.21 0.56 -0.10 0.00 -1.45 0.00 0.00 42.92 41.72 1xnj s ASP 573 CO 0.26 -1.11 1.23 -0.31 0.13 0.00 0.00 175.17 175.37 1xnj s TYR 574 N -3.83 3.29 0.44 -5.34 1.51 -1.26 -0.28 117.35 111.88 1xnj s TYR 574 Ca 0.28 1.47 -0.22 0.00 -1.01 0.00 0.00 57.07 57.59 1xnj s TYR 574 Cb 0.01 -3.51 -0.10 0.00 -0.11 0.00 0.00 41.96 38.25 1xnj s TYR 574 CO 0.12 -1.38 1.00 -0.47 -1.11 0.00 0.00 175.55 173.72 1xnj s TYR 575 N -0.82 3.22 -0.14 2.71 5.04 -0.40 -4.83 117.35 122.13 1xnj s TYR 575 Ca 0.49 1.62 -0.03 0.00 -2.44 0.00 0.00 57.07 56.71 1xnj s TYR 575 Cb -0.36 -2.99 0.05 0.00 0.35 0.00 0.00 41.96 39.01 1xnj s TYR 575 CO 0.45 -0.45 0.05 0.34 -1.34 0.00 0.00 175.55 174.61 1xnj s ASP 576 N -1.94 2.14 0.14 4.32 3.68 -1.26 -4.91 116.67 118.84 1xnj s ASP 576 Ca 0.62 -0.45 -0.08 0.00 2.13 0.00 0.00 52.55 54.78 1xnj s ASP 576 Cb -0.15 -0.35 0.18 0.00 -1.45 0.00 0.00 42.92 41.15 1xnj s ASP 576 CO 0.19 -0.29 0.87 -1.20 0.13 0.00 0.00 175.17 174.87 1xnj n SER 577 N 5.20 -0.30 -3.71 -0.34 7.64 -1.26 -1.66 113.62 119.19 1xnj n SER 577 Ca -0.07 0.97 -0.41 0.00 1.01 0.00 0.00 58.87 60.37 1xnj n SER 577 Cb 0.49 -0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1xnj n SER 577 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xnj n GLU 578 N -4.86 5.16 -0.14 1.43 4.71 -1.26 -2.43 120.64 123.25 1xnj n GLU 578 Ca 0.07 -4.65 0.00 0.00 -0.01 0.00 0.00 57.16 52.57 1xnj n GLU 578 Cb 0.25 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.20 1xnj n GLU 578 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1xnj n HIS 579 N 0.27 0.00 -0.18 -0.32 8.25 -0.66 -5.05 115.22 117.52 1xnj n HIS 579 Ca 0.42 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.93 1xnj n HIS 579 Cb 0.28 0.17 0.11 0.00 1.12 0.00 0.00 29.99 31.67 1xnj n HIS 579 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xnj n HIS 580 N 0.00 0.25 0.13 4.41 -0.00 -1.02 -0.40 115.22 118.59 1xnj n HIS 580 Ca 0.00 0.61 0.01 0.00 0.46 0.00 0.00 57.72 58.81 1xnj n HIS 580 Cb 0.16 -0.83 0.35 0.00 -0.12 0.00 0.00 29.99 29.55 1xnj n HIS 580 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1xnj h GLU 581 N 0.00 0.18 0.00 1.57 3.07 -1.90 -2.84 114.58 114.65 1xnj h GLU 581 Ca 0.27 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1xnj h GLU 581 Cb 0.49 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1xnj h GLU 581 CO -0.50 0.42 0.00 -0.25 -1.40 0.00 0.00 179.01 177.28 1xnj n ASP 582 N -4.18 0.00 -4.40 1.42 10.43 0.47 -4.80 116.55 115.48 1xnj n ASP 582 Ca -0.01 -0.62 -0.34 0.00 2.57 0.00 0.00 54.79 56.39 1xnj n ASP 582 Cb 0.34 -0.05 -0.13 0.00 1.84 0.00 0.00 41.12 43.12 1xnj n ASP 582 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1xnj s PHE 583 N -2.10 2.93 -0.21 1.24 0.08 -1.07 0.11 117.98 118.96 1xnj s PHE 583 Ca 0.33 -0.59 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 1xnj s PHE 583 Cb 0.16 -1.96 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1xnj s PHE 583 CO 0.29 -0.24 -0.09 -2.00 -0.10 0.00 0.00 175.22 173.08 1xnj s GLU 584 N 0.67 3.27 -0.42 0.44 2.12 0.16 -4.94 118.70 120.00 1xnj s GLU 584 Ca -0.04 -0.68 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1xnj s GLU 584 Cb -0.15 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1xnj s GLU 584 CO 0.02 -0.20 0.43 -0.06 -0.54 0.00 0.00 175.26 174.91 1xnj s PHE 585 N 1.42 3.18 -0.40 5.30 0.40 -1.26 -1.32 117.98 125.29 1xnj s PHE 585 Ca 0.05 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1xnj s PHE 585 Cb -0.14 -2.89 0.08 0.00 0.51 0.00 0.00 43.02 40.58 1xnj s PHE 585 CO -0.06 -0.70 0.22 0.42 0.70 0.00 0.00 175.22 175.79 1xnj s ILE 586 N 2.09 3.89 0.92 0.64 1.01 -1.26 -5.04 121.20 123.45 1xnj s ILE 586 Ca 0.11 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.09 1xnj s ILE 586 Cb -0.18 -3.42 0.18 0.00 0.01 0.00 0.00 42.46 39.06 1xnj s ILE 586 CO 0.13 -0.50 1.28 -0.94 0.00 0.00 0.00 174.94 174.91 1xnj s SER 587 N 1.95 3.37 0.24 3.58 1.04 -1.26 -4.85 113.70 117.77 1xnj s SER 587 Ca 0.03 0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.66 1xnj s SER 587 Cb -0.23 -0.38 0.23 0.00 0.10 0.00 0.00 66.02 65.75 1xnj s SER 587 CO 0.00 -2.57 1.86 1.23 0.98 0.00 0.00 173.24 174.75 1xnj h GLY 588 N -1.48 1.33 0.63 7.32 0.00 -1.98 0.67 103.07 109.56 1xnj h GLY 588 Ca -0.44 -0.60 0.07 0.00 0.00 0.00 0.00 47.33 46.36 1xnj h GLY 588 CO 0.41 0.58 0.37 -0.84 0.00 0.00 0.00 176.54 177.05 1xnj h THR 589 N 1.25 0.94 -0.16 4.70 2.02 -1.99 -1.06 112.91 118.60 1xnj h THR 589 Ca 0.32 -0.23 -0.20 0.00 0.77 0.00 0.00 66.41 67.06 1xnj h THR 589 Cb 0.02 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1xnj h THR 589 CO -0.05 0.12 -0.70 -0.09 0.37 0.00 0.00 175.52 175.17 1xnj h ARG 590 N 0.67 0.76 -0.95 6.66 9.65 -1.63 -2.06 114.38 127.48 1xnj h ARG 590 Ca 0.31 -0.60 0.08 0.00 -1.10 0.00 0.00 59.98 58.68 1xnj h ARG 590 Cb 0.23 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.86 1xnj h ARG 590 CO -0.20 1.21 0.60 0.52 2.80 0.00 0.00 179.97 184.90 1xnj h MET 591 N 0.48 1.01 -0.08 0.20 2.86 -0.64 -0.07 114.93 118.69 1xnj h MET 591 Ca -0.04 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 1xnj h MET 591 Cb 1.33 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1xnj h MET 591 CO 0.15 0.67 -0.73 -0.09 1.06 0.00 0.00 176.91 177.97 1xnj h ARG 592 N 1.04 0.42 -0.38 1.72 2.43 -0.91 -1.28 114.38 117.42 1xnj h ARG 592 Ca 0.43 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1xnj h ARG 592 Cb 0.27 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1xnj h ARG 592 CO -0.21 0.98 0.20 0.87 -1.51 0.00 0.00 179.97 180.31 1xnj h LYS 593 N 0.29 0.53 -0.72 0.20 1.57 -1.17 -2.57 116.57 114.70 1xnj h LYS 593 Ca -0.03 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1xnj h LYS 593 Cb 1.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1xnj h LYS 593 CO 0.13 0.43 0.21 -0.07 -0.57 0.00 0.00 179.45 179.58 1xnj h LEU 594 N 0.48 1.05 -0.46 2.94 3.38 -0.74 -2.91 115.31 119.05 1xnj h LEU 594 Ca 0.13 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1xnj h LEU 594 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1xnj h LEU 594 CO -0.02 0.98 0.14 0.00 0.09 0.00 0.00 178.44 179.63 1xnj h ALA 595 N 1.16 0.60 0.00 1.53 0.00 -1.11 -0.83 119.26 120.61 1xnj h ALA 595 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xnj h ALA 595 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xnj h ALA 595 CO -0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1xnj h ARG 596 N 0.60 0.00 -0.27 0.00 3.08 -1.37 -0.98 114.38 115.44 1xnj h ARG 596 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1xnj h ARG 596 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1xnj h ARG 596 CO -0.00 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 178.05 1xnj n GLU 597 N -2.71 2.85 -1.25 0.04 0.28 -1.09 -4.98 120.64 113.78 1xnj n GLU 597 Ca -0.02 -2.49 -0.08 0.00 -0.16 0.00 0.00 57.16 54.41 1xnj n GLU 597 Cb 0.10 -1.59 -0.04 0.00 1.43 0.00 0.00 31.44 31.35 1xnj n GLU 597 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xnj n GLY 598 N -0.16 0.97 3.91 -1.84 0.00 -0.37 -5.02 105.19 102.68 1xnj n GLY 598 Ca 0.17 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1xnj n GLY 598 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xnj s GLN 599 N -2.46 3.62 0.04 1.61 -0.21 -0.34 -5.02 119.66 116.91 1xnj s GLN 599 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1xnj s GLN 599 Cb 0.00 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1xnj s GLN 599 CO 0.00 0.32 0.14 0.15 -2.12 0.00 0.00 175.29 173.78 1xnj s LYS 600 N -3.25 3.21 0.86 2.91 1.02 -1.26 -3.94 119.74 119.29 1xnj s LYS 600 Ca 0.42 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 1xnj s LYS 600 Cb -0.11 -2.93 0.11 0.00 -0.52 0.00 0.00 37.83 34.38 1xnj s LYS 600 CO 0.28 0.62 1.09 -1.25 -0.92 0.00 0.00 175.35 175.17 1xnj s PRO 601 N -2.24 1.58 0.96 -1.68 0.04 -1.26 -4.98 135.00 127.43 1xnj s PRO 601 Ca 0.30 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1xnj s PRO 601 Cb -0.13 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1xnj s PRO 601 CO 0.22 -2.00 0.56 -2.30 0.04 0.00 0.00 177.00 173.52 1xnj n PRO 602 N -3.71 -0.48 -2.51 0.56 -0.02 -1.26 -4.88 135.00 122.69 1xnj n PRO 602 Ca 0.07 -0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 1xnj n PRO 602 Cb 0.55 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1xnj n PRO 602 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xnj s GLU 603 N -3.87 4.30 0.00 -0.52 2.12 -1.26 -2.93 118.70 116.54 1xnj s GLU 603 Ca 0.59 1.58 0.00 0.00 0.36 0.00 0.00 54.97 57.50 1xnj s GLU 603 Cb -0.21 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.54 1xnj s GLU 603 CO 0.65 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1xnj n GLY 604 N 3.41 1.92 0.08 -1.50 0.00 -1.26 -4.54 105.19 103.30 1xnj n GLY 604 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1xnj n GLY 604 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xnj h PHE 605 N 0.00 0.11 -3.62 1.61 3.57 -1.86 -3.38 116.94 113.36 1xnj h PHE 605 Ca 0.00 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.24 1xnj h PHE 605 Cb 0.00 -0.01 -0.26 0.00 2.79 0.00 0.00 35.95 38.47 1xnj h PHE 605 CO 0.00 0.82 -0.64 1.41 -2.23 0.00 0.00 178.31 177.68 1xnj s MET 606 N -3.19 0.15 0.23 1.11 1.75 -1.26 -0.76 119.30 117.32 1xnj s MET 606 Ca -0.17 -0.05 -0.32 0.00 -1.25 0.00 0.00 55.69 53.91 1xnj s MET 606 Cb -0.00 0.06 -0.13 0.00 2.84 0.00 0.00 34.83 37.60 1xnj s MET 606 CO 0.71 -0.02 1.57 0.00 -0.65 0.00 0.00 175.02 176.63 1xnj n ALA 607 N 2.71 1.98 -0.18 4.11 0.00 -1.26 -4.80 120.51 123.06 1xnj n ALA 607 Ca -0.15 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1xnj n ALA 607 Cb 0.59 -2.40 0.07 0.00 0.00 0.00 0.00 19.45 17.70 1xnj n ALA 607 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xnj h PRO 608 N 5.36 0.08 -0.14 0.00 0.11 -1.99 0.14 132.00 135.56 1xnj h PRO 608 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1xnj h PRO 608 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1xnj h PRO 608 CO 0.84 0.05 0.00 0.87 -0.21 0.00 0.00 178.00 179.55 1xnj h LYS 609 N 0.08 0.20 -0.07 1.05 1.57 -1.90 -1.23 116.57 116.26 1xnj h LYS 609 Ca 0.28 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.81 1xnj h LYS 609 Cb 0.44 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1xnj h LYS 609 CO -0.50 0.22 -0.88 0.00 -0.57 0.00 0.00 179.45 177.71 1xnj h ALA 610 N 1.81 0.31 -0.87 3.86 0.00 -1.01 -1.89 119.26 121.47 1xnj h ALA 610 Ca 0.05 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.33 1xnj h ALA 610 Cb 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xnj h ALA 610 CO 0.00 0.72 0.58 2.35 0.00 0.00 0.00 179.25 182.90 1xnj h TRP 611 N 0.40 1.08 -0.47 0.00 2.91 -0.88 -1.94 115.95 117.04 1xnj h TRP 611 Ca -0.08 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.88 1xnj h TRP 611 Cb 1.51 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 1xnj h TRP 611 CO 0.08 0.66 -0.07 1.15 -1.03 0.00 0.00 178.44 179.23 1xnj h THR 612 N 1.14 1.26 -0.36 2.65 2.02 -1.04 0.68 112.91 119.26 1xnj h THR 612 Ca 0.33 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1xnj h THR 612 Cb -0.07 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1xnj h THR 612 CO -0.08 0.39 0.20 0.58 0.37 0.00 0.00 175.52 176.98 1xnj h VAL 613 N 0.76 1.02 -0.79 3.16 2.07 -0.91 -1.24 116.25 120.33 1xnj h VAL 613 Ca 0.13 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xnj h VAL 613 Cb 0.55 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1xnj h VAL 613 CO 0.03 0.08 0.52 -0.07 0.02 0.00 0.00 177.57 178.15 1xnj h LEU 614 N 0.41 0.85 -1.26 2.57 3.38 -0.34 -1.36 115.31 119.56 1xnj h LEU 614 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xnj h LEU 614 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xnj h LEU 614 CO -0.08 0.59 -0.32 0.71 0.09 0.00 0.00 178.44 179.44 1xnj h THR 615 N 0.99 1.25 -0.53 0.22 1.35 -0.32 0.55 112.91 116.43 1xnj h THR 615 Ca 0.31 -1.18 -0.11 0.00 -0.55 0.00 0.00 66.41 64.88 1xnj h THR 615 Cb 0.01 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 1xnj h THR 615 CO -0.09 0.34 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.10 1xnj h GLU 616 N 0.07 0.98 -0.13 4.72 5.08 -0.35 0.21 114.58 125.17 1xnj h GLU 616 Ca 0.01 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1xnj h GLU 616 Cb 0.61 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xnj h GLU 616 CO 0.04 1.02 0.01 -0.92 -1.00 0.00 0.00 179.01 178.17 1xnj h TYR 617 N 0.88 0.23 -0.58 4.33 -0.00 -0.20 -1.31 116.97 120.33 1xnj h TYR 617 Ca 0.14 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.79 1xnj h TYR 617 Cb 0.65 -0.06 -0.03 0.00 -0.00 0.00 0.00 36.73 37.29 1xnj h TYR 617 CO 0.04 0.43 0.20 1.88 -0.00 0.00 0.00 178.16 180.71 1xnj h TYR 618 N -0.03 0.86 -0.22 -3.82 0.99 0.39 -2.48 116.97 112.66 1xnj h TYR 618 Ca 0.04 -0.06 0.05 0.00 2.00 0.00 0.00 58.73 60.76 1xnj h TYR 618 Cb 0.33 -0.26 -0.05 0.00 1.00 0.00 0.00 36.73 37.75 1xnj h TYR 618 CO 0.03 0.69 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.58 1xnj h LYS 619 N 0.83 -0.03 -0.69 4.88 3.64 -0.53 -1.65 116.57 123.02 1xnj h LYS 619 Ca 0.19 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1xnj h LYS 619 Cb 0.21 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1xnj h LYS 619 CO -0.01 -0.02 0.46 0.66 -2.27 0.00 0.00 179.45 178.26 1xnj h SER 620 N -0.03 0.58 -0.18 4.20 4.64 -0.98 -1.44 113.55 120.34 1xnj h SER 620 Ca 0.11 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1xnj h SER 620 Cb 0.20 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1xnj h SER 620 CO -0.25 0.37 0.09 -0.07 -0.87 0.00 0.00 176.83 176.10 1xnj h LEU 621 N 0.66 0.23 -0.48 5.97 3.38 -0.89 -3.04 115.31 121.13 1xnj h LEU 621 Ca 0.31 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1xnj h LEU 621 Cb 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1xnj h LEU 621 CO -0.10 0.28 0.26 -0.08 0.09 0.00 0.00 178.44 178.89 1xnj h GLU 622 N 0.16 0.50 -0.66 1.13 4.57 -0.59 -2.09 114.58 117.60 1xnj h GLU 622 Ca 0.06 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.35 1xnj h GLU 622 Cb 0.11 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1xnj h GLU 622 CO -0.01 0.33 0.45 0.87 -1.18 0.00 0.00 179.01 179.47 1xnj h LYS 623 N 0.51 0.29 0.00 1.92 1.57 -1.28 -3.51 116.57 116.07 1xnj h LYS 623 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xnj h LYS 623 Cb 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xnj h LYS 623 CO -0.12 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.95