#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkd s SER 2 N 0.00 4.74 0.22 6.12 1.04 -1.26 -4.77 113.70 119.79 2dkd s SER 2 Ca 0.00 0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.60 2dkd s SER 2 Cb 0.00 -0.88 0.22 0.00 0.10 0.00 0.00 66.02 65.46 2dkd s SER 2 CO 0.00 -1.61 1.86 -0.29 0.98 0.00 0.00 173.24 174.18 2dkd h ILE 3 N -0.53 1.12 -0.24 -1.02 6.09 -1.99 -1.02 117.51 119.93 2dkd h ILE 3 Ca -0.43 -0.33 -0.01 0.00 -1.37 0.00 0.00 64.86 62.72 2dkd h ILE 3 Cb 1.30 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 2dkd h ILE 3 CO 0.55 0.18 0.12 -0.33 -3.07 0.00 0.00 178.15 175.59 2dkd h GLU 4 N 0.98 0.34 0.17 2.19 3.07 -1.94 0.21 114.58 119.60 2dkd h GLU 4 Ca 0.31 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2dkd h GLU 4 Cb 0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2dkd h GLU 4 CO -0.11 0.34 -0.16 1.96 -1.40 0.00 0.00 179.01 179.64 2dkd h GLN 5 N 0.25 -0.34 -0.51 2.33 4.20 -1.84 -1.16 115.11 118.04 2dkd h GLN 5 Ca 0.08 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2dkd h GLN 5 Cb 0.11 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2dkd h GLN 5 CO -0.01 -0.23 -0.02 1.79 -0.67 0.00 0.00 178.83 179.70 2dkd h THR 6 N -0.35 1.26 0.20 -0.54 1.35 -1.12 -3.27 112.91 110.44 2dkd h THR 6 Ca -0.00 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 2dkd h THR 6 Cb 0.33 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2dkd h THR 6 CO -0.03 0.39 -0.09 0.25 -0.25 0.00 0.00 175.52 175.79 2dkd h LEU 7 N 0.78 -0.22 -1.77 3.87 5.85 -0.47 -2.92 115.31 120.43 2dkd h LEU 7 Ca 0.14 -0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.93 2dkd h LEU 7 Cb 0.55 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2dkd h LEU 7 CO 0.03 -0.03 0.64 0.77 -0.34 0.00 0.00 178.44 179.51 2dkd h SER 8 N -0.41 0.00 0.28 1.25 4.64 -1.26 0.71 113.55 118.76 2dkd h SER 8 Ca -0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 2dkd h SER 8 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2dkd h SER 8 CO 0.04 0.00 -0.22 -0.61 -0.87 0.00 0.00 176.83 175.18 2dkd h GLN 9 N 0.00 0.00 0.00 4.77 4.15 -1.57 -3.31 115.11 119.16 2dkd h GLN 9 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 2dkd h GLN 9 Cb 1.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.26 2dkd h GLN 9 CO -0.00 0.22 -1.14 0.66 -1.93 0.00 0.00 178.83 176.64 2dkd n TYR 10 N -4.09 0.00 -0.25 3.99 4.02 0.12 -4.77 117.16 116.17 2dkd n TYR 10 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 2dkd n TYR 10 Cb 0.29 -0.07 0.16 0.00 -0.02 0.00 0.00 39.34 39.69 2dkd n TYR 10 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2dkd h LEU 11 N 0.00 -0.32 -2.01 7.72 5.85 -1.31 -1.04 115.31 124.20 2dkd h LEU 11 Ca -0.01 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2dkd h LEU 11 Cb 0.21 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2dkd h LEU 11 CO 0.00 -0.17 0.11 1.55 -0.34 0.00 0.00 178.44 179.59 2dkd h PRO 12 N 0.11 0.00 0.00 5.25 0.13 -1.86 -1.70 132.00 133.93 2dkd h PRO 12 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 2dkd h PRO 12 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2dkd h PRO 12 CO -0.65 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 177.55 2dkd n SER 13 N -4.48 0.56 -3.68 1.44 7.64 -0.40 -4.36 113.62 110.34 2dkd n SER 13 Ca 0.01 0.59 -0.27 0.00 1.01 0.00 0.00 58.87 60.20 2dkd n SER 13 Cb 0.24 -0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 62.60 2dkd n SER 13 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dkd n HIS 14 N -2.07 1.97 -2.40 1.43 8.25 -0.64 -5.07 115.22 116.69 2dkd n HIS 14 Ca 0.04 -3.99 -0.37 0.00 -0.26 0.00 0.00 57.72 53.15 2dkd n HIS 14 Cb 0.31 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 2dkd n HIS 14 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dkd s PRO 15 N -1.12 3.95 0.00 -0.41 0.04 -1.26 -4.84 135.00 131.36 2dkd s PRO 15 Ca 0.29 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 2dkd s PRO 15 Cb 0.01 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 2dkd s PRO 15 CO -0.16 -0.36 0.51 0.21 0.04 0.00 0.00 177.00 177.24 2dkd s LYS 16 N -2.62 4.17 0.46 4.56 2.20 -1.26 -4.59 119.74 122.65 2dkd s LYS 16 Ca 0.61 0.59 -0.22 0.00 -0.36 0.00 0.00 55.97 56.59 2dkd s LYS 16 Cb -0.25 -3.29 -0.08 0.00 -1.51 0.00 0.00 37.83 32.70 2dkd s LYS 16 CO 0.31 0.51 1.11 -1.25 -0.36 0.00 0.00 175.35 175.66 2dkd s PRO 17 N -0.58 3.83 -0.92 4.03 0.04 -1.26 -5.00 135.00 135.15 2dkd s PRO 17 Ca 0.27 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 2dkd s PRO 17 Cb -0.18 -2.35 -0.16 0.00 0.04 0.00 0.00 34.50 31.85 2dkd s PRO 17 CO 0.15 -0.45 1.92 0.00 0.04 0.00 0.00 177.00 178.66 2dkd n GLN 18 N -0.53 1.17 -3.93 4.56 0.00 -1.26 -4.99 117.38 112.40 2dkd n GLN 18 Ca 0.07 -2.01 -0.01 0.00 0.00 0.00 0.00 57.00 55.05 2dkd n GLN 18 Cb 0.49 -3.39 0.02 0.00 0.00 0.00 0.00 30.24 27.37 2dkd n GLN 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2dkd s VAL 20 N 9.78 0.00 -0.23 -0.39 1.01 -1.26 -5.24 120.40 124.08 2dkd s VAL 20 Ca 0.67 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2dkd s VAL 20 Cb 0.05 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2dkd s VAL 20 CO 0.16 0.00 0.03 -0.89 0.00 0.00 0.00 175.10 174.41 2dkd s THR 21 N -2.06 4.11 0.14 3.92 2.01 -1.26 -4.93 115.64 117.57 2dkd s THR 21 Ca 0.25 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.07 2dkd s THR 21 Cb -0.02 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2dkd s THR 21 CO 0.04 0.39 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.97 2dkd s PHE 22 N 1.32 2.86 -0.13 4.92 0.40 -1.26 -5.13 117.98 120.96 2dkd s PHE 22 Ca 0.04 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.21 2dkd s PHE 22 Cb -0.15 -1.43 0.06 0.00 0.51 0.00 0.00 43.02 42.01 2dkd s PHE 22 CO 0.02 0.49 0.27 0.99 0.70 0.00 0.00 175.22 177.69 2dkd s THR 23 N -1.51 -0.27 -0.31 0.64 2.01 -1.26 -4.87 115.64 110.07 2dkd s THR 23 Ca 0.26 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2dkd s THR 23 Cb -0.10 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 71.98 2dkd s THR 23 CO 0.17 0.09 1.08 -0.47 -0.69 0.00 0.00 174.62 174.80 2dkd s TYR 24 N 1.96 3.15 0.00 4.92 5.04 -1.26 -4.61 117.35 126.55 2dkd s TYR 24 Ca -0.03 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 2dkd s TYR 24 Cb -0.11 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.53 2dkd s TYR 24 CO -0.09 -0.78 0.00 0.41 -1.34 0.00 0.00 175.55 173.75 2dkd n GLY 25 N 3.85 5.34 0.00 8.97 0.00 -0.68 -4.87 105.19 117.81 2dkd n GLY 25 Ca 0.12 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.56 2dkd n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dkd n THR 26 N 0.00 0.00 -2.03 2.61 -2.24 -1.26 -0.62 114.28 110.74 2dkd n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2dkd n THR 26 Cb 0.00 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2dkd n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dkd n ALA 27 N -0.68 2.08 -0.87 6.98 0.00 -1.26 -5.07 120.51 121.69 2dkd n ALA 27 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2dkd n ALA 27 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2dkd n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkd n GLY 28 N 0.03 2.96 3.52 0.00 0.00 0.21 -4.18 105.19 107.75 2dkd n GLY 28 Ca -0.00 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2dkd n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dkd s PHE 29 N 0.00 3.17 -0.10 1.61 0.40 -0.87 -1.68 117.98 120.51 2dkd s PHE 29 Ca 0.00 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2dkd s PHE 29 Cb 0.00 -2.34 0.04 0.00 0.51 0.00 0.00 43.02 41.23 2dkd s PHE 29 CO 0.00 -0.27 0.07 0.50 0.70 0.00 0.00 175.22 176.22 2dkd s ARG 30 N 1.70 0.08 0.00 0.44 3.52 -1.26 -0.50 118.95 122.93 2dkd s ARG 30 Ca 0.06 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 2dkd s ARG 30 Cb -0.16 -1.18 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 2dkd s ARG 30 CO 0.08 -0.48 0.00 0.00 -0.81 0.00 0.00 175.30 174.09 2dkd n MET 31 N 5.26 0.00 -2.36 5.12 0.00 -0.94 -5.01 117.12 119.19 2dkd n MET 31 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.23 2dkd n MET 31 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.68 2dkd n MET 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2dkd s LYS 32 N 1.03 4.47 0.27 3.17 -0.14 -1.26 -1.72 119.74 125.56 2dkd s LYS 32 Ca 0.00 1.89 -0.00 0.00 -1.36 0.00 0.00 55.97 56.49 2dkd s LYS 32 Cb 0.00 -3.25 0.61 0.00 -1.68 0.00 0.00 37.83 33.51 2dkd s LYS 32 CO 0.00 -0.13 1.70 0.00 -0.76 0.00 0.00 175.35 176.16 2dkd h ALA 33 N 5.46 1.23 0.00 5.17 0.00 -1.07 -1.66 119.26 128.39 2dkd h ALA 33 Ca -0.44 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dkd h ALA 33 Cb 1.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2dkd h ALA 33 CO 0.76 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 2dkd n ASP 34 N -5.08 0.00 -0.41 0.00 5.68 -1.26 -2.16 116.55 113.32 2dkd n ASP 34 Ca 0.19 -0.66 0.05 0.00 -0.50 0.00 0.00 54.79 53.87 2dkd n ASP 34 Cb 0.56 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.62 2dkd n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dkd n LYS 35 N -0.68 0.66 -0.00 0.11 5.02 -0.62 -4.78 118.16 117.87 2dkd n LYS 35 Ca 0.03 -1.93 0.04 0.00 -2.02 0.00 0.00 58.31 54.44 2dkd n LYS 35 Cb 0.02 -0.97 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 2dkd n LYS 35 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2dkd n LEU 36 N -0.65 0.35 0.05 -0.35 7.94 -0.92 -4.72 117.00 118.69 2dkd n LEU 36 Ca 0.09 -0.42 -0.12 0.00 -1.11 0.00 0.00 56.01 54.45 2dkd n LEU 36 Cb 0.71 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.61 2dkd n LEU 36 CO -0.00 0.09 0.65 -0.78 -1.11 0.00 0.00 177.39 176.23 2dkd h ASP 37 N 0.00 -0.97 -0.27 1.96 1.82 -1.87 -0.15 116.42 116.95 2dkd h ASP 37 Ca 0.00 0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 2dkd h ASP 37 Cb 0.24 0.40 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 2dkd h ASP 37 CO 0.00 -0.38 0.08 0.22 -1.61 0.00 0.00 179.24 177.55 2dkd h TYR 38 N -0.45 0.43 0.15 0.28 3.20 -1.86 -1.93 116.97 116.79 2dkd h TYR 38 Ca 0.07 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2dkd h TYR 38 Cb 0.56 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2dkd h TYR 38 CO -0.36 0.48 -0.32 0.28 -1.64 0.00 0.00 178.16 176.60 2dkd h VAL 39 N 0.26 0.33 0.00 1.81 2.07 -1.80 -1.54 116.25 117.38 2dkd h VAL 39 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2dkd h VAL 39 Cb 0.25 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2dkd h VAL 39 CO -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.44 2dkd h THR 40 N -0.56 1.09 -0.29 2.57 1.03 -1.04 -1.31 112.91 114.40 2dkd h THR 40 Ca 0.02 -0.52 0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2dkd h THR 40 Cb 0.58 1.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.92 2dkd h THR 40 CO -0.17 0.15 0.19 0.15 -0.01 0.00 0.00 175.52 175.83 2dkd h PHE 41 N 0.00 0.35 -0.01 0.00 3.57 -0.62 -2.01 116.94 118.22 2dkd h PHE 41 Ca -0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2dkd h PHE 41 Cb 0.27 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2dkd h PHE 41 CO 0.00 0.22 -0.36 1.79 -2.23 0.00 0.00 178.31 177.72 2dkd h THR 42 N 0.38 1.26 -0.42 4.41 1.35 -0.31 -2.43 112.91 117.16 2dkd h THR 42 Ca 0.11 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 2dkd h THR 42 Cb -0.03 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2dkd h THR 42 CO -0.03 0.36 0.07 0.58 -0.25 0.00 0.00 175.52 176.25 2dkd h VAL 43 N 0.01 1.20 -0.66 6.82 2.07 -0.65 -0.72 116.25 124.33 2dkd h VAL 43 Ca -0.00 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2dkd h VAL 43 Cb 0.65 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2dkd h VAL 43 CO 0.05 0.26 0.43 1.23 0.02 0.00 0.00 177.57 179.56 2dkd h GLY 44 N 0.86 0.92 0.56 2.17 0.00 -0.89 0.62 103.07 107.31 2dkd h GLY 44 Ca 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2dkd h GLY 44 CO 0.00 0.34 -0.05 -2.22 0.00 0.00 0.00 176.54 174.62 2dkd h ILE 45 N 0.89 1.12 -0.40 2.60 2.04 -1.15 -2.90 117.51 119.72 2dkd h ILE 45 Ca 0.24 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2dkd h ILE 45 Cb -0.10 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2dkd h ILE 45 CO -0.05 0.22 0.21 -0.29 0.00 0.00 0.00 178.15 178.24 2dkd h ILE 46 N -0.57 1.13 -0.72 -0.67 6.09 -0.90 -1.57 117.51 120.30 2dkd h ILE 46 Ca -0.01 -0.34 -0.07 0.00 -1.37 0.00 0.00 64.86 63.07 2dkd h ILE 46 Cb 0.47 0.61 -0.03 0.00 0.47 0.00 0.00 36.82 38.33 2dkd h ILE 46 CO 0.02 0.14 0.19 0.00 -3.07 0.00 0.00 178.15 175.44 2dkd h ALA 47 N 1.68 0.95 -0.32 0.18 0.00 -0.87 0.13 119.26 121.01 2dkd h ALA 47 Ca 0.14 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2dkd h ALA 47 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2dkd h ALA 47 CO -0.02 0.66 -0.41 1.03 0.00 0.00 0.00 179.25 180.50 2dkd h SER 48 N 1.08 0.92 -0.46 0.00 0.87 -1.21 -1.90 113.55 112.85 2dkd h SER 48 Ca 0.23 -0.50 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 2dkd h SER 48 Cb 0.35 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2dkd h SER 48 CO -0.00 1.23 0.07 -0.07 -0.53 0.00 0.00 176.83 177.53 2dkd h LEU 49 N 0.63 0.78 -0.59 2.23 3.38 -1.07 -0.93 115.31 119.73 2dkd h LEU 49 Ca 0.04 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2dkd h LEU 49 Cb 1.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2dkd h LEU 49 CO 0.10 0.80 0.06 -0.09 0.09 0.00 0.00 178.44 179.40 2dkd h ARG 50 N 0.79 1.01 -0.30 1.13 9.65 -0.61 0.11 114.38 126.15 2dkd h ARG 50 Ca 0.16 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 2dkd h ARG 50 Cb 0.37 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2dkd h ARG 50 CO 0.01 0.97 0.09 1.03 2.80 0.00 0.00 179.97 184.87 2dkd h SER 51 N 0.90 0.43 -0.53 -3.80 0.87 -0.84 -1.38 113.55 109.20 2dkd h SER 51 Ca 0.18 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2dkd h SER 51 Cb 0.47 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2dkd h SER 51 CO 0.02 0.52 0.28 0.11 -0.53 0.00 0.00 176.83 177.23 2dkd h LYS 52 N 0.32 0.74 -0.99 2.24 1.57 -0.98 0.63 116.57 120.11 2dkd h LYS 52 Ca 0.10 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2dkd h LYS 52 Cb 0.24 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 2dkd h LYS 52 CO -0.00 0.59 0.64 -0.92 -0.57 0.00 0.00 179.45 179.18 2dkd h TYR 53 N 0.71 1.16 -0.54 -1.35 3.20 -0.57 -1.14 116.97 118.43 2dkd h TYR 53 Ca 0.18 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.83 2dkd h TYR 53 Cb 0.07 -0.38 -0.15 0.00 1.54 0.00 0.00 36.73 37.81 2dkd h TYR 53 CO -0.01 0.56 0.32 1.28 -1.64 0.00 0.00 178.16 178.67 2dkd n LEU 54 N -4.53 4.94 -2.22 2.82 4.77 -0.54 -4.88 117.00 117.36 2dkd n LEU 54 Ca 0.16 -2.59 -0.18 0.00 -0.03 0.00 0.00 56.01 53.37 2dkd n LEU 54 Cb 0.23 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2dkd n LEU 54 CO 0.31 0.76 -0.16 0.00 -1.33 0.00 0.00 177.39 176.97 2dkd n GLN 55 N -0.32 -2.27 -0.36 3.23 1.13 -0.43 -3.05 117.38 115.31 2dkd n GLN 55 Ca 0.32 0.85 0.00 0.00 -1.94 0.00 0.00 57.00 56.22 2dkd n GLN 55 Cb 1.12 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 26.10 2dkd n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dkd n GLY 56 N -1.14 0.78 3.76 1.08 0.00 0.22 -4.98 105.19 104.90 2dkd n GLY 56 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2dkd n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkd n LYS 57 N -2.00 1.96 -2.05 1.61 5.02 -1.17 -4.10 118.16 117.43 2dkd n LYS 57 Ca 0.00 0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 56.58 2dkd n LYS 57 Cb 0.00 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.36 2dkd n LYS 57 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dkd s THR 58 N -1.24 2.93 -0.04 -0.18 2.01 -1.26 -4.54 115.64 113.32 2dkd s THR 58 Ca 0.67 0.69 0.06 0.00 0.31 0.00 0.00 61.69 63.42 2dkd s THR 58 Cb -0.43 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2dkd s THR 58 CO 0.53 0.06 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.61 2dkd s VAL 59 N 0.91 2.37 0.28 3.82 1.01 -0.66 -3.67 120.40 124.45 2dkd s VAL 59 Ca 0.66 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2dkd s VAL 59 Cb -0.40 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2dkd s VAL 59 CO 0.33 0.58 0.14 -0.83 0.00 0.00 0.00 175.10 175.32 2dkd s GLY 60 N -0.52 1.61 -0.02 4.51 0.00 -0.15 -1.27 107.32 111.48 2dkd s GLY 60 Ca 0.07 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2dkd s GLY 60 CO 0.01 -1.60 0.01 0.14 0.00 0.00 0.00 173.10 171.66 2dkd s VAL 61 N -2.26 0.11 -0.12 1.40 1.01 0.01 -0.27 120.40 120.29 2dkd s VAL 61 Ca 0.34 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2dkd s VAL 61 Cb -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2dkd s VAL 61 CO 0.23 0.12 -0.22 -0.32 0.00 0.00 0.00 175.10 174.91 2dkd s MET 62 N 0.94 2.94 -0.34 2.72 0.00 -0.43 -1.71 119.30 123.42 2dkd s MET 62 Ca -0.09 -0.83 -0.14 0.00 0.00 0.00 0.00 55.69 54.63 2dkd s MET 62 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 34.83 32.37 2dkd s MET 62 CO -0.02 0.05 0.31 0.42 0.00 0.00 0.00 175.02 175.78 2dkd s ILE 63 N 0.66 5.22 0.00 10.11 -1.09 -0.44 -1.59 121.20 134.06 2dkd s ILE 63 Ca -0.11 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 2dkd s ILE 63 Cb -0.16 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2dkd s ILE 63 CO 0.02 -0.06 0.00 1.07 -1.23 0.00 0.00 174.94 174.74 2dkd n THR 64 N 5.19 0.00 -1.35 2.92 5.66 0.15 -1.43 114.28 125.41 2dkd n THR 64 Ca -0.11 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.96 2dkd n THR 64 Cb 0.49 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.36 2dkd n THR 64 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dkd n ALA 65 N -0.00 2.15 -0.83 1.79 0.00 -1.26 -1.58 120.51 120.78 2dkd n ALA 65 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.43 2dkd n ALA 65 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2dkd n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dkd n SER 66 N -0.91 0.00 -0.80 0.00 7.64 -1.26 -1.49 113.62 116.79 2dkd n SER 66 Ca 0.10 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.10 2dkd n SER 66 Cb 0.65 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 64.14 2dkd n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dkd n HIS 67 N 0.00 0.18 -0.78 1.43 1.44 -1.26 -3.58 115.22 112.65 2dkd n HIS 67 Ca 0.00 -0.09 -0.29 0.00 -2.01 0.00 0.00 57.72 55.33 2dkd n HIS 67 Cb 0.00 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.33 2dkd n HIS 67 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 2dkd s ASN 68 N -1.76 1.65 0.58 4.39 -0.87 -0.56 -4.89 114.94 113.48 2dkd s ASN 68 Ca 0.34 1.42 -0.18 0.00 -1.57 0.00 0.00 52.86 52.88 2dkd s ASN 68 Cb 0.20 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 39.24 2dkd s ASN 68 CO 0.30 -3.77 1.11 -2.16 -2.57 0.00 0.00 177.10 170.01 2dkd s PRO 69 N -4.65 3.23 0.33 -0.60 0.04 -1.26 -4.82 135.00 127.27 2dkd s PRO 69 Ca 0.67 1.48 0.11 0.00 0.04 0.00 0.00 61.00 63.30 2dkd s PRO 69 Cb -0.22 -2.00 1.02 0.00 0.04 0.00 0.00 34.50 33.33 2dkd s PRO 69 CO 0.62 -0.92 1.60 -1.35 0.04 0.00 0.00 177.00 176.98 2dkd h PRO 70 N 0.81 0.08 0.00 0.56 0.11 -1.82 -0.95 132.00 130.78 2dkd h PRO 70 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dkd h PRO 70 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2dkd h PRO 70 CO 0.56 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 2dkd n GLU 71 N -5.30 0.15 -3.15 1.05 0.00 -1.26 -4.72 120.64 107.41 2dkd n GLU 71 Ca 0.30 0.49 -0.20 0.00 0.00 0.00 0.00 57.16 57.74 2dkd n GLU 71 Cb 0.98 -1.85 0.01 0.00 0.00 0.00 0.00 31.44 30.58 2dkd n GLU 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dkd s ASP 72 N -4.00 5.80 0.23 -1.84 1.01 -0.36 -0.54 116.67 116.97 2dkd s ASP 72 Ca 0.02 -0.04 -0.22 0.00 0.71 0.00 0.00 52.55 53.02 2dkd s ASP 72 Cb 0.08 -1.22 0.04 0.00 1.01 0.00 0.00 42.92 42.83 2dkd s ASP 72 CO 0.29 -0.65 0.71 0.21 0.21 0.00 0.00 175.17 175.94 2dkd s ASN 73 N -4.24 -0.34 0.30 0.27 3.84 -0.70 -4.61 114.94 109.46 2dkd s ASN 73 Ca 0.49 -0.41 -0.18 0.00 0.21 0.00 0.00 52.86 52.96 2dkd s ASN 73 Cb -0.10 0.67 0.02 0.00 -0.55 0.00 0.00 41.25 41.29 2dkd s ASN 73 CO 0.34 -1.19 0.70 -0.83 -2.79 0.00 0.00 177.10 173.33 2dkd s GLY 74 N -2.86 0.12 -0.01 1.21 0.00 -0.61 -2.21 107.32 102.96 2dkd s GLY 74 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2dkd s GLY 74 CO 0.01 -0.22 0.00 0.54 0.00 0.00 0.00 173.10 173.43 2dkd s VAL 75 N -3.56 0.03 0.08 1.40 0.11 0.35 0.32 120.40 119.13 2dkd s VAL 75 Ca 0.14 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 2dkd s VAL 75 Cb -0.05 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 2dkd s VAL 75 CO 0.09 0.04 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.21 2dkd s LYS 76 N 0.31 0.86 -0.12 1.54 1.02 -0.62 -2.05 119.74 120.69 2dkd s LYS 76 Ca -0.03 -1.00 -0.02 0.00 0.02 0.00 0.00 55.97 54.94 2dkd s LYS 76 Cb -0.04 -0.87 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 2dkd s LYS 76 CO -0.01 0.19 -0.06 0.08 -0.92 0.00 0.00 175.35 174.64 2dkd s VAL 77 N -1.39 3.77 -0.18 3.17 1.01 -1.26 -1.31 120.40 124.21 2dkd s VAL 77 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2dkd s VAL 77 Cb -0.09 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2dkd s VAL 77 CO 0.02 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 2dkd s VAL 78 N -0.16 3.11 0.78 2.92 1.01 0.63 -1.53 120.40 127.17 2dkd s VAL 78 Ca 0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 2dkd s VAL 78 Cb -0.13 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2dkd s VAL 78 CO 0.03 0.48 1.08 -1.81 0.00 0.00 0.00 175.10 174.88 2dkd s ASP 79 N 1.03 4.59 0.41 3.32 1.01 0.12 -0.97 116.67 126.18 2dkd s ASP 79 Ca -0.00 1.51 0.28 0.00 0.71 0.00 0.00 52.55 55.05 2dkd s ASP 79 Cb -0.15 -2.27 1.43 0.00 1.01 0.00 0.00 42.92 42.95 2dkd s ASP 79 CO -0.01 -1.94 1.56 -2.65 0.21 0.00 0.00 175.17 172.34 2dkd n PRO 80 N -3.43 -0.04 -0.09 8.23 -0.02 -1.24 -0.70 135.00 137.71 2dkd n PRO 80 Ca 0.07 1.29 0.09 0.00 -2.02 0.00 0.00 63.50 62.93 2dkd n PRO 80 Cb 0.55 -2.46 0.33 0.00 -0.02 0.00 0.00 33.50 31.90 2dkd n PRO 80 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2dkd n LEU 81 N -4.88 1.38 0.00 2.45 4.77 -1.26 -3.98 117.00 115.47 2dkd n LEU 81 Ca 0.39 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2dkd n LEU 81 Cb 1.46 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.44 2dkd n LEU 81 CO 0.12 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2dkd n GLY 82 N 1.03 0.74 3.96 -0.72 0.00 0.12 -4.80 105.19 105.52 2dkd n GLY 82 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2dkd n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkd s SER 83 N -2.61 6.02 0.57 1.61 1.04 -1.24 -4.76 113.70 114.32 2dkd s SER 83 Ca 0.00 0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.44 2dkd s SER 83 Cb 0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 2dkd s SER 83 CO 0.00 -0.49 1.21 0.00 0.98 0.00 0.00 173.24 174.94 2dkd s MET 84 N -4.36 3.12 0.12 4.02 0.23 -1.26 0.16 119.30 121.32 2dkd s MET 84 Ca 0.44 1.83 -0.34 0.00 -1.03 0.00 0.00 55.69 56.59 2dkd s MET 84 Cb -0.10 -2.02 -0.18 0.00 -1.53 0.00 0.00 34.83 31.01 2dkd s MET 84 CO 0.35 -1.09 0.94 -0.11 -2.03 0.00 0.00 175.02 173.08 2dkd n LEU 85 N -1.39 0.13 -4.78 0.18 7.94 -0.58 -4.45 117.00 114.05 2dkd n LEU 85 Ca 0.12 1.15 -0.41 0.00 -1.11 0.00 0.00 56.01 55.76 2dkd n LEU 85 Cb 0.49 -1.03 -0.00 0.00 0.53 0.00 0.00 43.42 43.41 2dkd n LEU 85 CO 0.45 -2.03 1.13 -1.83 -1.11 0.00 0.00 177.39 174.00 2dkd s GLU 86 N -0.43 4.12 0.27 1.96 -1.05 -1.26 -4.86 118.70 117.45 2dkd s GLU 86 Ca 0.77 2.56 -0.08 0.00 -0.15 0.00 0.00 54.97 58.07 2dkd s GLU 86 Cb -1.03 -2.97 0.46 0.00 -0.44 0.00 0.00 34.13 30.14 2dkd s GLU 86 CO 0.55 -0.52 1.57 0.77 0.95 0.00 0.00 175.26 178.58 2dkd h SER 87 N 3.07 -0.85 -0.07 0.83 0.02 -2.02 -0.23 113.55 114.30 2dkd h SER 87 Ca -0.51 0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2dkd h SER 87 Cb 1.24 0.58 -0.00 0.00 0.14 0.00 0.00 62.40 64.36 2dkd h SER 87 CO 0.65 -0.32 0.13 0.77 -1.14 0.00 0.00 176.83 176.92 2dkd h SER 88 N 0.00 0.00 0.35 3.07 4.64 -2.02 0.01 113.55 119.60 2dkd h SER 88 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2dkd h SER 88 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2dkd h SER 88 CO -0.98 0.00 -0.39 0.79 -0.87 0.00 0.00 176.83 175.38 2dkd n TRP 89 N -3.41 0.00 0.15 4.77 7.02 -0.10 -3.77 117.44 122.11 2dkd n TRP 89 Ca -0.01 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.47 2dkd n TRP 89 Cb 0.22 -0.18 0.29 0.00 -2.42 0.00 0.00 31.31 29.22 2dkd n TRP 89 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2dkd h GLU 90 N 0.62 0.08 -0.23 -0.99 5.08 -1.01 -1.78 114.58 116.35 2dkd h GLU 90 Ca 0.00 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2dkd h GLU 90 Cb 0.51 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2dkd h GLU 90 CO 0.00 0.48 -0.58 -0.22 -1.00 0.00 0.00 179.01 177.69 2dkd h LYS 91 N 0.06 0.74 -0.43 2.33 3.11 -1.68 -2.03 116.57 118.68 2dkd h LYS 91 Ca 0.00 -0.48 -0.06 0.00 -2.81 0.00 0.00 60.65 57.30 2dkd h LYS 91 Cb 0.76 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.04 2dkd h LYS 91 CO 0.06 1.11 0.03 1.88 -2.81 0.00 0.00 179.45 179.72 2dkd h TYR 92 N 0.56 0.79 -0.53 1.91 0.99 -1.62 -0.15 116.97 118.92 2dkd h TYR 92 Ca 0.00 -0.12 0.01 0.00 2.00 0.00 0.00 58.73 60.62 2dkd h TYR 92 Cb 1.16 -0.21 -0.03 0.00 1.00 0.00 0.00 36.73 38.66 2dkd h TYR 92 CO 0.06 0.77 0.34 0.00 -0.00 0.00 0.00 178.16 179.33 2dkd h ALA 93 N 0.92 0.67 -0.73 3.88 0.00 -1.30 -1.90 119.26 120.80 2dkd h ALA 93 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2dkd h ALA 93 Cb 0.43 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2dkd h ALA 93 CO 0.02 0.08 0.48 1.15 0.00 0.00 0.00 179.25 180.97 2dkd h THR 94 N 0.68 1.16 -0.42 0.00 2.02 -1.03 -1.75 112.91 113.58 2dkd h THR 94 Ca 0.20 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2dkd h THR 94 Cb -0.05 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 2dkd h THR 94 CO -0.06 0.17 0.02 0.44 0.37 0.00 0.00 175.52 176.46 2dkd h ASP 95 N 0.96 0.63 -0.27 4.18 3.32 -0.47 -2.08 116.42 122.69 2dkd h ASP 95 Ca 0.28 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 2dkd h ASP 95 Cb -0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2dkd h ASP 95 CO -0.08 0.69 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.57 2dkd h LEU 96 N 0.63 0.90 -2.07 1.55 3.38 -1.00 -2.50 115.31 116.20 2dkd h LEU 96 Ca 0.13 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2dkd h LEU 96 Cb 0.37 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2dkd h LEU 96 CO 0.01 1.26 -0.05 0.00 0.09 0.00 0.00 178.44 179.76 2dkd h ALA 97 N 0.66 1.09 -0.06 1.53 0.00 -1.08 -2.40 119.26 119.01 2dkd h ALA 97 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dkd h ALA 97 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dkd h ALA 97 CO 0.11 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.51 2dkd n ASN 98 N -3.28 2.70 -4.79 0.00 3.02 -0.80 -4.81 115.26 107.30 2dkd n ASN 98 Ca -0.01 -1.83 -0.29 0.00 -0.03 0.00 0.00 54.58 52.42 2dkd n ASN 98 Cb 0.21 -0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.49 2dkd n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dkd s ALA 99 N -1.61 1.86 -0.23 5.41 0.00 -0.91 -5.04 121.76 121.26 2dkd s ALA 99 Ca 0.24 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2dkd s ALA 99 Cb 0.17 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2dkd s ALA 99 CO 0.25 -2.18 0.05 0.45 0.00 0.00 0.00 175.76 174.33 2dkd s SER 100 N -4.01 5.13 0.36 0.00 0.15 -0.84 -4.81 113.70 109.68 2dkd s SER 100 Ca 0.63 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 57.17 2dkd s SER 100 Cb -0.15 -1.91 0.70 0.00 -1.71 0.00 0.00 66.02 62.95 2dkd s SER 100 CO 0.53 0.02 1.96 1.55 1.20 0.00 0.00 173.24 178.50 2dkd h PRO 101 N 7.84 0.58 -4.23 5.44 0.13 -1.93 -0.24 132.00 139.59 2dkd h PRO 101 Ca -0.37 -0.08 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 2dkd h PRO 101 Cb 1.18 -0.11 -0.20 0.00 0.13 0.00 0.00 31.00 32.00 2dkd h PRO 101 CO 0.60 0.49 -0.71 0.45 -0.23 0.00 0.00 178.00 178.60 2dkd s SER 102 N -6.68 0.51 0.14 1.44 0.15 -1.26 -4.69 113.70 103.32 2dkd s SER 102 Ca -0.08 -0.63 -0.30 0.00 0.70 0.00 0.00 55.95 55.63 2dkd s SER 102 Cb 0.16 0.10 -0.07 0.00 -1.71 0.00 0.00 66.02 64.51 2dkd s SER 102 CO 0.75 -0.34 1.09 -2.16 1.20 0.00 0.00 173.24 173.78 2dkd s PRO 103 N -2.08 4.59 -1.37 5.44 0.04 -1.26 -5.06 135.00 135.30 2dkd s PRO 103 Ca -0.08 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 2dkd s PRO 103 Cb -0.06 -3.31 0.14 0.00 0.04 0.00 0.00 34.50 31.31 2dkd s PRO 103 CO -0.02 0.05 0.34 -1.71 0.04 0.00 0.00 177.00 175.69 2dkd n ASN 112 N 2.70 -0.84 -4.76 6.66 4.05 -1.26 -5.19 115.26 116.62 2dkd n ASN 112 Ca 0.04 -0.96 -0.40 0.00 0.45 0.00 0.00 54.58 53.71 2dkd n ASN 112 Cb 0.47 -1.22 -0.06 0.00 1.23 0.00 0.00 39.78 40.20 2dkd n ASN 112 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2dkd s SER 113 N -3.06 7.48 0.17 1.20 0.15 -1.26 -1.98 113.70 116.40 2dkd s SER 113 Ca 0.47 1.76 -0.23 0.00 0.70 0.00 0.00 55.95 58.65 2dkd s SER 113 Cb -0.28 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.56 2dkd s SER 113 CO 0.78 0.18 1.59 0.25 1.20 0.00 0.00 173.24 177.23 2dkd h LEU 114 N 4.35 -1.17 -2.35 3.45 5.85 -1.31 0.52 115.31 124.64 2dkd h LEU 114 Ca -0.46 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2dkd h LEU 114 Cb 1.20 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 2dkd h LEU 114 CO 0.67 -0.32 0.16 1.62 -0.34 0.00 0.00 178.44 180.23 2dkd h VAL 115 N -0.24 0.35 0.17 1.05 3.04 -1.89 -0.21 116.25 118.52 2dkd h VAL 115 Ca 0.19 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 65.54 2dkd h VAL 115 Cb 0.55 0.86 0.01 0.00 -2.01 0.00 0.00 31.29 30.70 2dkd h VAL 115 CO -0.59 0.00 -1.65 -0.33 -1.01 0.00 0.00 177.57 173.98 2dkd h GLU 116 N 0.00 0.35 0.00 4.17 4.39 -0.53 -2.52 114.58 120.44 2dkd h GLU 116 Ca 0.05 -0.60 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 2dkd h GLU 116 Cb 0.37 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2dkd h GLU 116 CO -0.00 1.25 -0.27 0.28 -1.16 0.00 0.00 179.01 179.11 2dkd h VAL 117 N 0.10 1.18 -0.02 3.13 2.07 0.72 -1.32 116.25 122.11 2dkd h VAL 117 Ca -0.30 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 2dkd h VAL 117 Cb 2.08 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2dkd h VAL 117 CO 0.18 0.26 -0.10 0.40 0.02 0.00 0.00 177.57 178.34 2dkd h ILE 118 N 0.00 1.51 0.00 4.57 2.04 -1.15 -2.70 117.51 121.79 2dkd h ILE 118 Ca -0.00 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 2dkd h ILE 118 Cb 0.48 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2dkd h ILE 118 CO 0.03 0.44 -0.18 0.11 0.00 0.00 0.00 178.15 178.56 2dkd h LYS 119 N -0.54 0.00 -0.25 2.37 1.57 -1.27 -1.18 116.57 117.27 2dkd h LYS 119 Ca -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2dkd h LYS 119 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2dkd h LYS 119 CO 0.02 0.18 -0.58 -0.91 -0.57 0.00 0.00 179.45 177.59 2dkd h ASN 120 N 0.00 0.91 -0.31 0.86 2.35 -1.27 -1.77 115.58 116.35 2dkd h ASN 120 Ca -0.00 -0.51 -0.04 0.00 -0.55 0.00 0.00 56.30 55.21 2dkd h ASN 120 Cb 0.36 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2dkd h ASN 120 CO 0.02 1.29 0.06 -0.07 -1.65 0.00 0.00 177.43 177.08 2dkd h LEU 121 N 0.61 0.49 -0.73 1.61 3.38 -1.05 0.45 115.31 120.07 2dkd h LEU 121 Ca 0.00 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2dkd h LEU 121 Cb 1.19 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2dkd h LEU 121 CO 0.13 0.62 0.48 0.58 0.09 0.00 0.00 178.44 180.33 2dkd h VAL 122 N 0.34 1.16 0.15 1.22 2.07 -1.22 -1.27 116.25 118.71 2dkd h VAL 122 Ca 0.10 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2dkd h VAL 122 Cb 0.33 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2dkd h VAL 122 CO 0.00 0.18 -0.07 0.28 0.02 0.00 0.00 177.57 177.98 2dkd h SER 123 N 0.97 -0.17 -0.36 0.57 0.02 -1.15 -0.42 113.55 113.00 2dkd h SER 123 Ca 0.28 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2dkd h SER 123 Cb -0.07 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2dkd h SER 123 CO -0.07 0.34 0.21 0.44 -1.14 0.00 0.00 176.83 176.60 2dkd h ASP 124 N -0.74 0.34 0.28 3.07 3.32 -0.90 -2.88 116.42 118.92 2dkd h ASP 124 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2dkd h ASP 124 Cb 0.52 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2dkd h ASP 124 CO 0.03 0.25 -0.21 0.18 -1.72 0.00 0.00 179.24 177.78 2dkd n LEU 125 N -4.88 0.83 -3.23 1.55 4.77 -0.48 -4.95 117.00 110.60 2dkd n LEU 125 Ca 0.00 -0.17 -0.17 0.00 -0.03 0.00 0.00 56.01 55.64 2dkd n LEU 125 Cb 0.06 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2dkd n LEU 125 CO 0.32 0.16 0.14 0.29 -1.33 0.00 0.00 177.39 176.97 2dkd n LYS 126 N -0.76 -6.37 -2.64 3.23 4.76 -0.61 -4.95 118.16 110.81 2dkd n LYS 126 Ca 0.13 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.91 2dkd n LYS 126 Cb 0.32 -5.55 -0.03 0.00 -1.84 0.00 0.00 35.03 27.93 2dkd n LYS 126 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dkd s ILE 127 N -3.31 4.68 -0.56 -0.18 1.01 -0.27 -4.99 121.20 117.58 2dkd s ILE 127 Ca 0.16 1.93 -0.20 0.00 0.00 0.00 0.00 60.65 62.55 2dkd s ILE 127 Cb -0.07 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.23 2dkd s ILE 127 CO 0.66 0.11 0.70 -0.62 0.00 0.00 0.00 174.94 175.79 2dkd s ASP 128 N 1.07 6.21 0.55 3.58 3.68 -1.26 -4.85 116.67 125.65 2dkd s ASP 128 Ca 0.52 -1.10 0.37 0.00 2.13 0.00 0.00 52.55 54.47 2dkd s ASP 128 Cb -0.22 -2.31 1.95 0.00 -1.45 0.00 0.00 42.92 40.89 2dkd s ASP 128 CO 0.26 -1.05 2.12 -0.07 0.13 0.00 0.00 175.17 176.56 2dkd h LEU 129 N 10.02 0.00 -0.06 -1.34 3.38 -1.94 -1.73 115.31 123.64 2dkd h LEU 129 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2dkd h LEU 129 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2dkd h LEU 129 CO 1.04 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.03 2dkd n SER 130 N -2.82 0.55 -4.65 -0.43 3.41 -1.26 -4.63 113.62 103.78 2dkd n SER 130 Ca -0.02 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.72 2dkd n SER 130 Cb 0.09 -0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 2dkd n SER 130 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dkd s ILE 131 N -3.09 4.69 0.11 -1.33 1.01 -0.65 -4.97 121.20 116.96 2dkd s ILE 131 Ca 0.11 1.91 -0.34 0.00 0.00 0.00 0.00 60.65 62.33 2dkd s ILE 131 Cb 0.14 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 2dkd s ILE 131 CO 0.55 -0.19 1.65 -2.65 0.00 0.00 0.00 174.94 174.29 2dkd n PRO 132 N 6.32 2.16 -3.16 2.79 -0.02 -1.26 -4.78 135.00 137.05 2dkd n PRO 132 Ca 0.11 0.78 -0.34 0.00 -2.02 0.00 0.00 63.50 62.03 2dkd n PRO 132 Cb 0.46 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 2dkd n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkd s ALA 133 N 1.62 3.38 -0.15 3.55 0.00 0.01 -4.39 121.76 125.78 2dkd s ALA 133 Ca 0.82 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 2dkd s ALA 133 Cb -0.68 -2.74 0.04 0.00 0.00 0.00 0.00 23.12 19.74 2dkd s ALA 133 CO 0.41 0.35 -0.03 -0.80 0.00 0.00 0.00 175.76 175.69 2dkd s ASN 134 N -2.08 2.59 0.05 0.00 0.01 -1.26 -0.66 114.94 113.60 2dkd s ASN 134 Ca 0.50 -0.57 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 2dkd s ASN 134 Cb -0.12 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.74 2dkd s ASN 134 CO 0.19 -0.21 -0.08 0.68 -1.51 0.00 0.00 177.10 176.17 2dkd s VAL 135 N 1.74 0.62 0.08 1.60 -7.23 -0.62 -1.66 120.40 114.93 2dkd s VAL 135 Ca 0.01 -1.22 0.06 0.00 -1.81 0.00 0.00 61.98 59.02 2dkd s VAL 135 Cb -0.15 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 2dkd s VAL 135 CO -0.07 -0.44 -0.16 0.68 -0.31 0.00 0.00 175.10 174.80 2dkd s VAL 136 N -1.69 1.28 0.04 1.32 -7.23 -0.39 -1.74 120.40 111.98 2dkd s VAL 136 Ca -0.06 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2dkd s VAL 136 Cb -0.08 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 2dkd s VAL 136 CO -0.00 -0.20 -0.06 -0.51 -0.31 0.00 0.00 175.10 174.02 2dkd s ILE 137 N -1.32 0.37 0.20 -0.62 2.07 -0.48 -0.81 121.20 120.61 2dkd s ILE 137 Ca 0.01 -1.11 -0.09 0.00 -1.41 0.00 0.00 60.65 58.04 2dkd s ILE 137 Cb -0.10 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.89 2dkd s ILE 137 CO 0.03 -0.50 0.34 0.00 -1.91 0.00 0.00 174.94 172.90 2dkd s ALA 138 N -1.71 0.05 0.12 1.50 0.00 -0.69 -0.92 121.76 120.11 2dkd s ALA 138 Ca -0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 2dkd s ALA 138 Cb -0.08 1.01 0.02 0.00 0.00 0.00 0.00 23.12 24.06 2dkd s ALA 138 CO -0.01 -0.72 0.32 -0.98 0.00 0.00 0.00 175.76 174.37 2dkd s ARG 139 N -4.01 1.02 0.06 0.00 1.70 -0.52 -1.33 118.95 115.87 2dkd s ARG 139 Ca 0.22 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 2dkd s ARG 139 Cb 0.02 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2dkd s ARG 139 CO 0.05 -0.37 0.08 -0.40 -1.08 0.00 0.00 175.30 173.57 2dkd n ASP 140 N -0.17 0.13 -0.36 -2.89 3.85 -0.52 -1.35 116.55 115.23 2dkd n ASP 140 Ca -0.14 -1.10 0.03 0.00 -0.71 0.00 0.00 54.79 52.86 2dkd n ASP 140 Cb 0.63 -0.05 0.08 0.00 -1.35 0.00 0.00 41.12 40.43 2dkd n ASP 140 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2dkd n SER 141 N -2.98 1.03 -4.75 -1.12 3.41 -1.26 -4.77 113.62 103.17 2dkd n SER 141 Ca 0.01 -2.02 -0.39 0.00 -0.26 0.00 0.00 58.87 56.22 2dkd n SER 141 Cb 0.05 -0.15 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2dkd n SER 141 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dkd s ARG 142 N -1.74 3.30 0.44 4.33 0.52 -1.26 -4.71 118.95 119.83 2dkd s ARG 142 Ca 0.12 2.24 0.18 0.00 -0.52 0.00 0.00 55.73 57.75 2dkd s ARG 142 Cb 0.06 -2.35 1.12 0.00 0.52 0.00 0.00 34.95 34.30 2dkd s ARG 142 CO 0.08 -1.06 1.92 1.49 0.02 0.00 0.00 175.30 177.74 2dkd h GLU 143 N 1.69 0.34 0.00 3.54 4.81 -1.91 -1.34 114.58 121.70 2dkd h GLU 143 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2dkd h GLU 143 Cb 1.29 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2dkd h GLU 143 CO 0.58 0.22 -0.43 -1.13 -0.73 0.00 0.00 179.01 177.53 2dkd n SER 144 N -4.46 0.45 -0.13 1.04 3.41 -1.26 -4.42 113.62 108.25 2dkd n SER 144 Ca 0.14 -0.04 -0.04 0.00 -0.26 0.00 0.00 58.87 58.67 2dkd n SER 144 Cb 0.58 0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.65 2dkd n SER 144 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dkd h SER 145 N 0.00 -0.01 -0.16 4.04 0.02 -1.54 -1.58 113.55 114.33 2dkd h SER 145 Ca 0.00 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2dkd h SER 145 Cb 0.55 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 2dkd h SER 145 CO 0.00 0.03 -0.19 -0.65 -1.14 0.00 0.00 176.83 174.88 2dkd h PRO 146 N 0.21 -0.22 -0.64 3.45 0.11 -1.77 0.94 132.00 134.07 2dkd h PRO 146 Ca 0.21 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 2dkd h PRO 146 Cb 0.26 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 2dkd h PRO 146 CO -0.28 -0.15 0.29 0.00 -0.21 0.00 0.00 178.00 177.66 2dkd h ALA 147 N 0.81 0.83 0.00 -0.75 0.00 -1.81 -2.13 119.26 116.21 2dkd h ALA 147 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2dkd h ALA 147 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2dkd h ALA 147 CO -0.30 0.42 -0.34 -0.07 0.00 0.00 0.00 179.25 178.96 2dkd h LEU 148 N 0.89 0.00 -0.22 0.00 3.38 -0.91 -1.19 115.31 117.26 2dkd h LEU 148 Ca 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 2dkd h LEU 148 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2dkd h LEU 148 CO -0.02 0.34 -0.25 -1.28 0.09 0.00 0.00 178.44 177.31 2dkd h SER 149 N 0.00 0.61 -0.76 -0.43 0.87 -0.49 -1.48 113.55 111.87 2dkd h SER 149 Ca -0.00 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 2dkd h SER 149 Cb 0.61 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2dkd h SER 149 CO 0.04 0.98 0.32 0.24 -0.53 0.00 0.00 176.83 177.88 2dkd h MET 150 N 0.26 1.14 -0.59 2.24 2.86 -1.05 -0.33 114.93 119.46 2dkd h MET 150 Ca 0.03 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2dkd h MET 150 Cb 0.82 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2dkd h MET 150 CO 0.06 0.91 0.26 0.00 1.06 0.00 0.00 176.91 179.20 2dkd h ALA 151 N 1.23 0.76 -0.73 6.32 0.00 -1.12 -0.64 119.26 125.08 2dkd h ALA 151 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2dkd h ALA 151 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2dkd h ALA 151 CO -0.02 0.35 0.25 1.15 0.00 0.00 0.00 179.25 180.98 2dkd h THR 152 N 0.81 1.25 0.00 0.00 2.02 -0.79 -2.13 112.91 114.07 2dkd h THR 152 Ca 0.20 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 2dkd h THR 152 Cb 0.16 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2dkd h THR 152 CO -0.02 0.33 -0.30 0.40 0.37 0.00 0.00 175.52 176.31 2dkd h ILE 153 N 1.07 1.10 -0.21 3.11 2.04 -0.48 -0.08 117.51 124.05 2dkd h ILE 153 Ca 0.24 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 2dkd h ILE 153 Cb 0.26 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2dkd h ILE 153 CO -0.01 0.29 -0.33 0.44 0.00 0.00 0.00 178.15 178.54 2dkd h ASP 154 N 0.00 0.46 -0.11 1.72 3.32 -0.50 -1.95 116.42 119.36 2dkd h ASP 154 Ca -0.00 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2dkd h ASP 154 Cb 0.56 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2dkd h ASP 154 CO 0.04 0.76 0.06 1.23 -1.72 0.00 0.00 179.24 179.61 2dkd h GLY 155 N 1.07 0.16 -0.08 2.75 0.00 -0.56 -0.54 103.07 105.88 2dkd h GLY 155 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.38 2dkd h GLY 155 CO 0.06 0.07 -0.27 0.74 0.00 0.00 0.00 176.54 177.14 2dkd h PHE 156 N 0.07 -0.74 0.00 5.60 0.05 -0.82 -0.15 116.94 120.95 2dkd h PHE 156 Ca 0.04 0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.88 2dkd h PHE 156 Cb 0.09 0.38 0.00 0.00 2.00 0.00 0.00 35.95 38.42 2dkd h PHE 156 CO -0.04 -0.35 0.00 1.04 -0.18 0.00 0.00 178.31 178.79 2dkd n GLN 157 N -5.40 0.20 0.00 1.51 6.02 -0.77 -2.45 117.38 116.49 2dkd n GLN 157 Ca 0.01 0.11 0.13 0.00 -0.01 0.00 0.00 57.00 57.24 2dkd n GLN 157 Cb 0.32 -1.50 0.62 0.00 1.02 0.00 0.00 30.24 30.70 2dkd n GLN 157 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2dkd n SER 158 N -1.36 0.00 -4.50 1.08 7.64 -0.07 -4.65 113.62 111.76 2dkd n SER 158 Ca 0.08 0.28 -0.34 0.00 1.01 0.00 0.00 58.87 59.91 2dkd n SER 158 Cb 0.19 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 2dkd n SER 158 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dkd s VAL 159 N -2.85 3.96 0.42 0.44 1.01 -1.03 -3.14 120.40 119.22 2dkd s VAL 159 Ca 0.18 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 2dkd s VAL 159 Cb 0.18 -2.75 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2dkd s VAL 159 CO 0.47 0.48 1.40 -2.16 0.00 0.00 0.00 175.10 175.29 2dkd s PRO 160 N 0.46 3.89 -0.93 2.72 0.04 -1.26 -3.86 135.00 136.07 2dkd s PRO 160 Ca -0.03 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.34 2dkd s PRO 160 Cb -0.14 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 2dkd s PRO 160 CO 0.03 -0.63 0.83 0.09 0.04 0.00 0.00 177.00 177.36 2dkd n ASN 161 N 0.09 -7.09 -4.01 6.66 3.02 -1.26 -4.79 115.26 107.88 2dkd n ASN 161 Ca 0.03 -0.46 -0.24 0.00 -0.03 0.00 0.00 54.58 53.88 2dkd n ASN 161 Cb 0.42 -5.25 -0.17 0.00 -0.61 0.00 0.00 39.78 34.17 2dkd n ASN 161 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dkd s THR 162 N -3.24 1.10 -0.12 3.41 2.01 -1.25 -0.81 115.64 116.73 2dkd s THR 162 Ca 0.28 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2dkd s THR 162 Cb -0.04 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2dkd s THR 162 CO 0.74 0.35 -0.11 -0.54 -0.69 0.00 0.00 174.62 174.38 2dkd s LYS 163 N 0.75 3.32 0.19 4.92 3.01 0.17 -4.91 119.74 127.19 2dkd s LYS 163 Ca -0.13 -0.64 0.06 0.00 -1.01 0.00 0.00 55.97 54.25 2dkd s LYS 163 Cb -0.15 -2.67 -0.05 0.00 -1.01 0.00 0.00 37.83 33.95 2dkd s LYS 163 CO 0.03 0.29 -0.11 1.52 0.51 0.00 0.00 175.35 177.60 2dkd s TYR 164 N 0.16 1.52 -0.02 3.18 1.13 -1.26 -1.59 117.35 120.47 2dkd s TYR 164 Ca -0.06 -0.70 0.02 0.00 -1.41 0.00 0.00 57.07 54.93 2dkd s TYR 164 Cb -0.15 -0.76 0.00 0.00 -1.10 0.00 0.00 41.96 39.96 2dkd s TYR 164 CO 0.04 0.19 -0.06 -0.65 -2.51 0.00 0.00 175.55 172.56 2dkd s GLN 165 N -3.72 0.69 -0.29 -3.49 -1.52 -0.71 -4.97 119.66 105.66 2dkd s GLN 165 Ca 0.21 -0.21 -0.03 0.00 -1.95 0.00 0.00 55.36 53.39 2dkd s GLN 165 Cb 0.02 -0.68 0.04 0.00 -0.22 0.00 0.00 33.01 32.16 2dkd s GLN 165 CO 0.05 0.07 -0.00 0.34 -0.25 0.00 0.00 175.29 175.50 2dkd s ASP 166 N 0.23 4.77 0.00 5.90 2.15 -1.26 -1.38 116.67 127.09 2dkd s ASP 166 Ca -0.03 -1.06 0.23 0.00 0.43 0.00 0.00 52.55 52.12 2dkd s ASP 166 Cb -0.07 -1.73 0.87 0.00 -0.30 0.00 0.00 42.92 41.68 2dkd s ASP 166 CO -0.00 -0.22 1.62 0.49 -0.17 0.00 0.00 175.17 176.90 2dkd n PHE 167 N 4.69 0.14 -3.44 -5.34 3.01 -0.10 -4.99 117.46 111.43 2dkd n PHE 167 Ca -0.14 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2dkd n PHE 167 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2dkd n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dkd n GLY 168 N 1.13 2.59 3.66 1.37 0.00 -1.26 -4.57 105.19 108.10 2dkd n GLY 168 Ca 0.17 -0.32 -0.47 0.00 0.00 0.00 0.00 46.02 45.39 2dkd n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkd n LEU 169 N 0.00 3.45 -3.66 0.99 4.77 -1.26 -1.43 117.00 119.85 2dkd n LEU 169 Ca 0.00 0.86 -0.15 0.00 -0.03 0.00 0.00 56.01 56.69 2dkd n LEU 169 Cb 0.00 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 39.61 2dkd n LEU 169 CO 0.00 -0.11 0.20 -0.36 -1.33 0.00 0.00 177.39 175.79 2dkd s PHE 170 N 4.72 -0.43 0.68 -1.77 2.99 -0.46 -4.90 117.98 118.82 2dkd s PHE 170 Ca 0.94 0.79 -0.11 0.00 0.00 0.00 0.00 56.93 58.55 2dkd s PHE 170 Cb -0.64 0.23 -0.00 0.00 0.00 0.00 0.00 43.02 42.60 2dkd s PHE 170 CO 0.49 -0.45 1.07 0.95 -0.00 0.00 0.00 175.22 177.28 2dkd s THR 171 N -0.97 3.98 0.19 0.64 -4.23 -1.26 -4.28 115.64 109.71 2dkd s THR 171 Ca -0.10 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 60.94 2dkd s THR 171 Cb -0.03 -3.59 0.12 0.00 1.34 0.00 0.00 72.50 70.34 2dkd s THR 171 CO 0.06 -0.84 1.81 0.74 -0.54 0.00 0.00 174.62 175.85 2dkd h THR 172 N -0.57 1.21 -0.67 3.99 2.02 -1.65 -2.53 112.91 114.71 2dkd h THR 172 Ca -0.45 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.23 2dkd h THR 172 Cb 1.23 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2dkd h THR 172 CO 0.62 0.23 0.44 -0.65 0.37 0.00 0.00 175.52 176.53 2dkd h PRO 173 N 0.94 0.83 -0.42 6.66 0.11 -1.82 -1.92 132.00 136.39 2dkd h PRO 173 Ca 0.24 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 2dkd h PRO 173 Cb 0.03 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 2dkd h PRO 173 CO -0.04 0.55 0.04 0.93 -0.21 0.00 0.00 178.00 179.27 2dkd h GLU 174 N 0.86 0.65 -0.43 1.05 5.08 -1.83 -0.77 114.58 119.18 2dkd h GLU 174 Ca 0.25 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2dkd h GLU 174 Cb -0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2dkd h GLU 174 CO -0.06 0.64 -0.28 1.25 -1.00 0.00 0.00 179.01 179.56 2dkd h LEU 175 N 0.62 0.98 -0.89 1.33 7.12 -1.13 -2.02 115.31 121.32 2dkd h LEU 175 Ca 0.13 -0.40 -0.06 0.00 0.13 0.00 0.00 57.88 57.68 2dkd h LEU 175 Cb 0.34 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 2dkd h LEU 175 CO 0.01 1.19 0.10 0.45 -0.13 0.00 0.00 178.44 180.05 2dkd h HIS 176 N 0.80 0.97 0.10 1.25 3.86 -0.99 -2.52 115.15 118.61 2dkd h HIS 176 Ca 0.09 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2dkd h HIS 176 Cb 0.86 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2dkd h HIS 176 CO 0.05 0.82 -0.05 -0.92 0.86 0.00 0.00 177.93 178.70 2dkd h TYR 177 N 0.87 -0.13 -0.47 2.45 3.20 -0.87 -1.94 116.97 120.08 2dkd h TYR 177 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2dkd h TYR 177 Cb 0.38 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2dkd h TYR 177 CO 0.02 0.09 -0.01 -0.39 -1.64 0.00 0.00 178.16 176.24 2dkd h VAL 178 N -0.34 1.24 -0.51 1.81 -1.51 -1.38 0.31 116.25 115.89 2dkd h VAL 178 Ca -0.01 -1.00 0.01 0.00 -1.23 0.00 0.00 66.70 64.46 2dkd h VAL 178 Cb 0.28 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.30 2dkd h VAL 178 CO 0.02 0.35 0.33 0.74 -1.23 0.00 0.00 177.57 177.79 2dkd h THR 179 N 0.73 1.12 -0.07 7.19 2.02 -1.39 -0.49 112.91 122.02 2dkd h THR 179 Ca 0.14 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 2dkd h THR 179 Cb 0.45 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2dkd h THR 179 CO 0.02 0.12 -0.13 -0.09 0.37 0.00 0.00 175.52 175.81 2dkd h ARG 180 N 0.67 0.21 0.00 6.66 2.43 -1.01 -3.25 114.38 120.10 2dkd h ARG 180 Ca 0.19 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2dkd h ARG 180 Cb -0.06 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2dkd h ARG 180 CO -0.05 0.71 -0.16 1.79 -1.51 0.00 0.00 179.97 180.75 2dkd h THR 181 N -0.26 0.73 0.00 0.20 1.35 -0.86 0.48 112.91 114.55 2dkd h THR 181 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2dkd h THR 181 Cb 0.70 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2dkd h THR 181 CO 0.03 0.16 0.00 -0.07 -0.25 0.00 0.00 175.52 175.39 2dkd h LEU 182 N 0.00 0.00 0.00 3.87 3.38 -1.12 -2.90 115.31 118.54 2dkd h LEU 182 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2dkd h LEU 182 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2dkd h LEU 182 CO 0.02 0.00 -2.00 0.59 0.09 0.00 0.00 178.44 177.14 2dkd n ASN 183 N -3.00 0.98 -3.55 -0.43 3.02 -0.51 -4.80 115.26 106.97 2dkd n ASN 183 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 2dkd n ASN 183 Cb 0.34 1.24 -0.11 0.00 -0.61 0.00 0.00 39.78 40.64 2dkd n ASN 183 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dkd s ASP 184 N -4.64 2.62 0.61 6.41 2.15 0.16 -4.99 116.67 118.98 2dkd s ASP 184 Ca -0.07 -3.11 0.31 0.00 0.43 0.00 0.00 52.55 50.11 2dkd s ASP 184 Cb 0.07 -0.78 1.80 0.00 -0.30 0.00 0.00 42.92 43.71 2dkd s ASP 184 CO 0.69 -0.18 2.16 1.55 -0.17 0.00 0.00 175.17 179.22 2dkd h PRO 185 N 5.85 0.00 0.00 4.34 0.13 -1.76 -1.73 132.00 138.83 2dkd h PRO 185 Ca 0.19 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 2dkd h PRO 185 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2dkd h PRO 185 CO 0.45 0.00 -0.16 -0.44 -0.23 0.00 0.00 178.00 177.62 2dkd h ASP 186 N 0.00 0.00 1.23 1.44 3.45 -1.94 -1.99 116.42 118.61 2dkd h ASP 186 Ca 0.05 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 2dkd h ASP 186 Cb 0.33 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 2dkd h ASP 186 CO -0.00 0.16 -0.07 0.15 -1.57 0.00 0.00 179.24 177.91 2dkd h PHE 187 N 0.00 0.00 0.00 4.55 3.57 -1.67 -3.48 116.94 119.90 2dkd h PHE 187 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dkd h PHE 187 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2dkd h PHE 187 CO 0.00 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 2dkd n GLY 188 N 0.34 2.18 3.70 2.40 0.00 -0.75 -5.03 105.19 108.02 2dkd n GLY 188 Ca 0.01 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2dkd n GLY 188 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dkd s LYS 189 N -1.96 4.42 0.00 1.61 2.20 -1.26 -4.57 119.74 120.18 2dkd s LYS 189 Ca 0.00 1.64 -0.00 0.00 -0.36 0.00 0.00 55.97 57.25 2dkd s LYS 189 Cb 0.00 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2dkd s LYS 189 CO 0.00 -0.29 1.00 -0.35 -0.36 0.00 0.00 175.35 175.34 2dkd n PRO 190 N 4.48 0.50 -4.46 4.03 -0.04 -1.26 -4.19 135.00 134.06 2dkd n PRO 190 Ca 0.09 -0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2dkd n PRO 190 Cb 0.47 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2dkd n PRO 190 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dkd s THR 191 N 1.04 1.22 0.21 0.52 -4.23 -1.26 -4.93 115.64 108.21 2dkd s THR 191 Ca 0.01 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 2dkd s THR 191 Cb 0.00 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.06 2dkd s THR 191 CO 0.00 -0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 175.61 2dkd h GLU 192 N 2.10 0.77 -0.40 3.99 4.81 -1.98 -2.01 114.58 121.87 2dkd h GLU 192 Ca -0.41 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.46 2dkd h GLU 192 Cb 1.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2dkd h GLU 192 CO 0.70 0.95 0.10 0.22 -0.73 0.00 0.00 179.01 180.25 2dkd h ASP 193 N 0.67 0.54 -0.52 1.04 3.58 -1.96 -1.54 116.42 118.22 2dkd h ASP 193 Ca 0.09 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2dkd h ASP 193 Cb 0.78 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2dkd h ASP 193 CO 0.06 0.54 0.26 1.23 -2.88 0.00 0.00 179.24 178.45 2dkd h GLY 194 N 0.79 0.79 0.97 -0.78 0.00 -1.56 0.20 103.07 103.48 2dkd h GLY 194 Ca 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2dkd h GLY 194 CO -0.00 0.37 0.08 -1.82 0.00 0.00 0.00 176.54 175.16 2dkd h TYR 195 N 0.69 0.18 -0.30 5.60 3.20 -0.84 -1.89 116.97 123.61 2dkd h TYR 195 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2dkd h TYR 195 Cb 0.10 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2dkd h TYR 195 CO -0.01 0.16 0.15 1.88 -1.64 0.00 0.00 178.16 178.70 2dkd h TYR 196 N 0.15 0.43 -0.75 -3.82 0.99 -1.06 -2.89 116.97 110.02 2dkd h TYR 196 Ca 0.05 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 2dkd h TYR 196 Cb 0.03 -0.13 -0.03 0.00 1.00 0.00 0.00 36.73 37.59 2dkd h TYR 196 CO -0.05 0.37 0.25 0.77 -0.00 0.00 0.00 178.16 179.50 2dkd h SER 197 N 0.36 1.07 -0.76 3.88 0.02 -0.55 0.08 113.55 117.65 2dkd h SER 197 Ca 0.11 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2dkd h SER 197 Cb 0.10 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2dkd h SER 197 CO -0.01 0.98 0.33 0.50 -1.14 0.00 0.00 176.83 177.49 2dkd h LYS 198 N 1.11 1.13 0.08 3.45 3.64 -1.30 0.17 116.57 124.85 2dkd h LYS 198 Ca 0.25 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2dkd h LYS 198 Cb 0.28 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2dkd h LYS 198 CO -0.01 0.90 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.96 2dkd h LEU 199 N 1.11 -0.09 -0.18 5.20 3.38 -1.26 -3.00 115.31 120.47 2dkd h LEU 199 Ca 0.26 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dkd h LEU 199 Cb 0.18 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2dkd h LEU 199 CO -0.03 0.35 0.11 0.00 0.09 0.00 0.00 178.44 178.97 2dkd h ALA 200 N 0.32 0.22 -0.61 1.53 0.00 -0.85 -1.82 119.26 118.06 2dkd h ALA 200 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2dkd h ALA 200 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2dkd h ALA 200 CO 0.02 -0.28 0.30 -0.22 0.00 0.00 0.00 179.25 179.07 2dkd h LYS 201 N 0.22 0.86 -0.47 0.00 3.64 -1.07 -0.43 116.57 119.33 2dkd h LYS 201 Ca 0.06 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 2dkd h LYS 201 Cb -0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2dkd h LYS 201 CO -0.01 0.68 -0.20 0.66 -2.27 0.00 0.00 179.45 178.31 2dkd h SER 202 N 0.83 0.96 0.11 4.20 4.64 -1.47 -1.24 113.55 121.57 2dkd h SER 202 Ca 0.21 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2dkd h SER 202 Cb 0.10 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2dkd h SER 202 CO -0.03 1.12 -0.05 0.15 -0.87 0.00 0.00 176.83 177.15 2dkd h PHE 203 N 0.82 -0.14 -0.89 4.77 3.57 -1.11 -2.95 116.94 121.02 2dkd h PHE 203 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2dkd h PHE 203 Cb 0.76 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2dkd h PHE 203 CO 0.05 -0.04 0.58 1.96 -2.23 0.00 0.00 178.31 178.62 2dkd h GLN 204 N -0.20 1.18 -0.67 1.11 4.20 -0.99 -0.14 115.11 119.61 2dkd h GLN 204 Ca -0.01 -0.08 0.10 0.00 0.06 0.00 0.00 58.65 58.72 2dkd h GLN 204 Cb 0.16 -0.26 -0.08 0.00 0.30 0.00 0.00 27.48 27.60 2dkd h GLN 204 CO 0.02 0.79 0.28 0.93 -0.67 0.00 0.00 178.83 180.19 2dkd h GLU 205 N 1.21 0.46 -0.07 1.46 4.39 -1.10 -0.85 114.58 120.08 2dkd h GLU 205 Ca 0.32 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.77 2dkd h GLU 205 Cb -0.12 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2dkd h GLU 205 CO -0.07 0.31 -0.82 0.82 -1.16 0.00 0.00 179.01 178.09 2dkd h ILE 206 N 0.48 1.31 -0.43 3.13 2.04 -1.29 -3.29 117.51 119.45 2dkd h ILE 206 Ca 0.34 -2.06 0.06 0.00 1.00 0.00 0.00 64.86 64.21 2dkd h ILE 206 Cb 0.42 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 2dkd h ILE 206 CO -0.31 0.64 0.11 0.22 0.00 0.00 0.00 178.15 178.80 2dkd h TYR 207 N 0.36 0.19 -0.13 1.37 3.20 -0.43 -1.11 116.97 120.42 2dkd h TYR 207 Ca -0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.85 2dkd h TYR 207 Cb 1.47 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 2dkd h TYR 207 CO 0.10 0.04 0.09 1.79 -1.64 0.00 0.00 178.16 178.55 2dkd h THR 208 N 0.25 0.95 0.00 1.81 1.35 -1.26 -0.63 112.91 115.38 2dkd h THR 208 Ca 0.21 -0.01 -0.05 0.00 -0.55 0.00 0.00 66.41 66.01 2dkd h THR 208 Cb 0.24 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 2dkd h THR 208 CO -0.25 0.00 -0.25 0.40 -0.25 0.00 0.00 175.52 175.17 2dkd h ILE 209 N 0.02 0.47 -4.39 6.82 2.04 -1.28 -3.46 117.51 117.73 2dkd h ILE 209 Ca 0.06 -1.44 -0.47 0.00 1.00 0.00 0.00 64.86 64.01 2dkd h ILE 209 Cb 0.22 2.05 0.10 0.00 -0.74 0.00 0.00 36.82 38.45 2dkd h ILE 209 CO -0.00 0.24 0.37 0.00 0.00 0.00 0.00 178.15 178.76 2dkd s GLU 211 N -5.54 3.63 -1.31 0.00 2.02 -1.26 -4.20 118.70 112.04 2dkd s GLU 211 Ca 0.63 0.70 -0.01 0.00 0.02 0.00 0.00 54.97 56.31 2dkd s GLU 211 Cb -0.10 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2dkd s GLU 211 CO 0.48 -0.49 0.72 0.43 0.02 0.00 0.00 175.26 176.42 2dkd n SER 212 N -2.56 -1.31 -0.62 -0.19 7.64 -1.26 -4.82 113.62 110.50 2dkd n SER 212 Ca 0.05 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.12 2dkd n SER 212 Cb 0.54 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 2dkd n SER 212 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dkd n ASN 213 N -3.05 1.10 0.00 6.43 0.23 -1.26 -1.13 115.26 117.59 2dkd n ASN 213 Ca -0.29 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 2dkd n ASN 213 Cb 0.67 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2dkd n ASN 213 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2dkd n ASN 214 N 0.24 0.53 -4.41 0.53 3.02 -1.26 -4.97 115.26 108.94 2dkd n ASN 214 Ca 0.00 -0.79 -0.35 0.00 -0.03 0.00 0.00 54.58 53.41 2dkd n ASN 214 Cb 0.23 0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 39.56 2dkd n ASN 214 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2dkd s GLU 215 N -0.29 3.55 0.44 3.52 2.56 -0.28 -5.09 118.70 123.11 2dkd s GLU 215 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 54.97 54.19 2dkd s GLU 215 Cb 0.00 -3.08 -0.08 0.00 2.00 0.00 0.00 34.13 32.97 2dkd s GLU 215 CO 0.00 -0.07 1.10 0.15 -0.56 0.00 0.00 175.26 175.88 2dkd s LYS 216 N 1.20 3.93 -0.11 4.30 1.02 -1.26 -4.99 119.74 123.84 2dkd s LYS 216 Ca 0.03 1.61 -0.24 0.00 0.02 0.00 0.00 55.97 57.39 2dkd s LYS 216 Cb -0.15 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2dkd s LYS 216 CO 0.01 -0.36 0.74 0.42 -0.92 0.00 0.00 175.35 175.24 2dkd s ILE 217 N -1.65 4.99 0.03 2.17 1.01 -0.11 -4.78 121.20 122.85 2dkd s ILE 217 Ca 0.62 1.50 -0.03 0.00 0.00 0.00 0.00 60.65 62.74 2dkd s ILE 217 Cb -0.24 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2dkd s ILE 217 CO 0.30 0.16 0.22 -0.62 0.00 0.00 0.00 174.94 175.00 2dkd s ASP 218 N 0.96 6.39 -0.15 3.58 2.15 -1.26 -0.80 116.67 127.55 2dkd s ASP 218 Ca 0.37 0.37 -0.25 0.00 0.43 0.00 0.00 52.55 53.47 2dkd s ASP 218 Cb -0.17 -2.01 0.06 0.00 -0.30 0.00 0.00 42.92 40.50 2dkd s ASP 218 CO 0.16 0.21 0.63 -0.51 -0.17 0.00 0.00 175.17 175.50 2dkd s ILE 219 N -1.41 0.00 -0.12 4.11 1.10 -0.45 -4.90 121.20 119.53 2dkd s ILE 219 Ca 0.31 -0.04 0.03 0.00 -0.51 0.00 0.00 60.65 60.43 2dkd s ILE 219 Cb -0.13 -0.92 0.01 0.00 0.15 0.00 0.00 42.46 41.58 2dkd s ILE 219 CO 0.22 -0.02 -0.21 -0.89 -2.11 0.00 0.00 174.94 171.93 2dkd s THR 220 N -0.37 1.91 -0.15 4.00 2.01 -1.26 -2.07 115.64 119.71 2dkd s THR 220 Ca -0.05 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 2dkd s THR 220 Cb -0.03 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 2dkd s THR 220 CO 0.05 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.79 2dkd s ILE 221 N 0.75 3.56 -0.51 1.82 1.01 -0.03 -2.35 121.20 125.44 2dkd s ILE 221 Ca -0.10 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 2dkd s ILE 221 Cb -0.16 -2.54 0.07 0.00 0.01 0.00 0.00 42.46 39.85 2dkd s ILE 221 CO 0.01 0.51 0.57 -0.62 0.00 0.00 0.00 174.94 175.40 2dkd s ASP 222 N 0.36 6.20 -0.08 3.58 3.68 0.37 -0.32 116.67 130.45 2dkd s ASP 222 Ca -0.07 -1.14 0.07 0.00 2.13 0.00 0.00 52.55 53.55 2dkd s ASP 222 Cb -0.15 -2.26 0.35 0.00 -1.45 0.00 0.00 42.92 39.41 2dkd s ASP 222 CO 0.04 -0.86 1.10 0.00 0.13 0.00 0.00 175.17 175.59 2dkd n ALA 223 N 5.90 2.96 -1.11 3.66 0.00 -0.63 -1.23 120.51 130.05 2dkd n ALA 223 Ca -0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.48 2dkd n ALA 223 Cb 0.44 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2dkd n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkd n ALA 224 N 0.33 -0.12 -2.85 0.00 0.00 -1.17 -0.59 120.51 116.11 2dkd n ALA 224 Ca 0.12 0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 2dkd n ALA 224 Cb 0.58 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.95 2dkd n ALA 224 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dkd n ASN 225 N 0.04 -5.91 -4.35 0.00 3.02 0.34 -1.33 115.26 107.07 2dkd n ASN 225 Ca -0.08 -0.20 -0.25 0.00 -0.03 0.00 0.00 54.58 54.02 2dkd n ASN 225 Cb 0.34 -4.83 -0.02 0.00 -0.61 0.00 0.00 39.78 34.66 2dkd n ASN 225 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkd n GLY 226 N -1.35 3.17 0.29 7.41 0.00 0.24 -3.73 105.19 111.23 2dkd n GLY 226 Ca -0.15 -2.31 0.18 0.00 0.00 0.00 0.00 46.02 43.74 2dkd n GLY 226 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dkd h VAL 227 N 0.90 0.00 0.00 1.61 3.04 -1.82 -1.31 116.25 118.66 2dkd h VAL 227 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2dkd h VAL 227 Cb 1.08 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2dkd h VAL 227 CO 0.52 0.00 0.00 1.23 -1.01 0.00 0.00 177.57 178.31 2dkd h GLY 228 N 0.00 0.00 0.77 3.17 0.00 -1.82 -3.24 103.07 101.95 2dkd h GLY 228 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2dkd h GLY 228 CO 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.21 2dkd h ALA 229 N 2.03 -0.93 -0.06 3.60 0.00 -1.45 -1.89 119.26 120.56 2dkd h ALA 229 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2dkd h ALA 229 Cb 0.33 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2dkd h ALA 229 CO 0.00 -0.91 -0.18 -1.00 0.00 0.00 0.00 179.25 177.17 2dkd h PRO 230 N -1.17 0.09 -0.19 0.00 0.13 -1.77 -2.36 132.00 126.72 2dkd h PRO 230 Ca -0.10 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 2dkd h PRO 230 Cb 0.74 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2dkd h PRO 230 CO 0.16 0.27 -0.23 0.87 -0.23 0.00 0.00 178.00 178.83 2dkd h LYS 231 N 0.08 0.49 -0.27 0.86 1.79 -1.58 -1.29 116.57 116.66 2dkd h LYS 231 Ca 0.02 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.11 2dkd h LYS 231 Cb 0.37 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2dkd h LYS 231 CO 0.02 0.86 -0.26 0.97 -1.08 0.00 0.00 179.45 179.97 2dkd h ILE 232 N 0.15 1.27 0.38 1.86 6.09 -1.30 -0.05 117.51 125.92 2dkd h ILE 232 Ca 0.02 -1.31 -0.01 0.00 -1.37 0.00 0.00 64.86 62.19 2dkd h ILE 232 Cb 0.80 1.35 -0.00 0.00 0.47 0.00 0.00 36.82 39.43 2dkd h ILE 232 CO 0.06 0.42 -0.23 -0.61 -3.07 0.00 0.00 178.15 174.71 2dkd h GLN 233 N 0.47 -0.57 -0.04 2.19 5.75 -1.36 -0.06 115.11 121.49 2dkd h GLN 233 Ca 0.07 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 2dkd h GLN 233 Cb 0.71 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 2dkd h GLN 233 CO 0.05 -0.38 -0.02 1.49 -2.65 0.00 0.00 178.83 177.33 2dkd h GLU 234 N -0.59 -0.01 0.10 1.69 4.57 -1.05 -0.49 114.58 118.80 2dkd h GLU 234 Ca -0.04 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2dkd h GLU 234 Cb 0.48 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 2dkd h GLU 234 CO 0.04 -0.01 -0.18 1.25 -1.18 0.00 0.00 179.01 178.93 2dkd h LEU 235 N -0.01 -0.51 -0.24 1.64 5.85 -0.86 -0.58 115.31 120.59 2dkd h LEU 235 Ca 0.02 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2dkd h LEU 235 Cb 0.04 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2dkd h LEU 235 CO -0.05 -0.26 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.40 2dkd h LEU 236 N -0.35 0.69 -0.23 2.25 3.38 -0.97 -1.63 115.31 118.45 2dkd h LEU 236 Ca 0.03 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 2dkd h LEU 236 Cb 0.37 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dkd h LEU 236 CO -0.10 1.06 -0.29 -0.08 0.09 0.00 0.00 178.44 179.11 2dkd h GLU 237 N 0.35 0.60 0.08 1.13 4.57 -1.08 -2.25 114.58 117.97 2dkd h GLU 237 Ca 0.03 -0.34 -0.28 0.00 -1.18 0.00 0.00 59.36 57.59 2dkd h GLU 237 Cb 0.90 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2dkd h GLU 237 CO 0.07 0.94 -1.39 0.87 -1.18 0.00 0.00 179.01 178.33 2dkd h LYS 238 N 0.29 0.17 0.00 1.92 1.79 -1.20 -3.36 116.57 116.19 2dkd h LYS 238 Ca 0.03 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.11 2dkd h LYS 238 Cb 0.86 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 2dkd h LYS 238 CO 0.07 1.03 -1.71 0.66 -1.08 0.00 0.00 179.45 178.41 2dkd n TYR 239 N -3.39 0.00 -1.90 -1.35 4.02 -0.62 -4.74 117.16 109.18 2dkd n TYR 239 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.81 2dkd n TYR 239 Cb 1.02 -0.45 0.14 0.00 -0.02 0.00 0.00 39.34 40.03 2dkd n TYR 239 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2dkd n LEU 240 N -2.20 2.39 0.19 7.72 4.77 -0.92 -4.82 117.00 124.14 2dkd n LEU 240 Ca -0.11 -3.44 0.07 0.00 -0.03 0.00 0.00 56.01 52.49 2dkd n LEU 240 Cb 0.61 -0.35 0.58 0.00 -2.33 0.00 0.00 43.42 41.94 2dkd n LEU 240 CO 0.27 1.21 1.09 -0.74 -1.33 0.00 0.00 177.39 177.89 2dkd h HIS 241 N 1.13 0.14 0.01 -1.77 2.76 -1.57 -0.23 115.15 115.63 2dkd h HIS 241 Ca -0.04 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.93 2dkd h HIS 241 Cb 1.28 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 2dkd h HIS 241 CO 0.61 0.09 -0.97 0.87 -1.30 0.00 0.00 177.93 177.23 2dkd h LYS 242 N 0.15 0.04 0.00 5.26 1.57 -1.89 -3.37 116.57 118.34 2dkd h LYS 242 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dkd h LYS 242 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2dkd h LYS 242 CO -0.01 0.97 -1.72 0.39 -0.57 0.00 0.00 179.45 178.51 2dkd n GLU 243 N -3.45 0.49 -4.21 3.15 4.71 -0.95 -4.68 120.64 115.70 2dkd n GLU 243 Ca -0.01 -0.14 -0.17 0.00 -0.01 0.00 0.00 57.16 56.83 2dkd n GLU 243 Cb 0.90 -1.51 -0.15 0.00 -1.01 0.00 0.00 31.44 29.67 2dkd n GLU 243 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2dkd s ILE 244 N -3.37 0.49 -0.06 -3.67 1.01 -0.14 -0.94 121.20 114.52 2dkd s ILE 244 Ca -0.04 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2dkd s ILE 244 Cb 0.14 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 2dkd s ILE 244 CO 0.89 0.14 -0.14 -0.94 0.00 0.00 0.00 174.94 174.90 2dkd s SER 245 N -0.13 4.07 0.27 3.58 1.04 0.02 -4.58 113.70 117.98 2dkd s SER 245 Ca 0.02 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.14 2dkd s SER 245 Cb -0.03 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2dkd s SER 245 CO -0.00 0.32 0.50 0.72 0.98 0.00 0.00 173.24 175.75 2dkd s PHE 246 N -0.56 0.48 -0.07 5.02 -0.12 -1.26 -1.34 117.98 120.14 2dkd s PHE 246 Ca 0.08 -0.84 -0.12 0.00 -0.05 0.00 0.00 56.93 56.00 2dkd s PHE 246 Cb -0.11 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2dkd s PHE 246 CO 0.01 -1.06 0.30 0.99 -0.05 0.00 0.00 175.22 175.41 2dkd s THR 247 N -3.71 0.03 -0.10 -4.49 2.01 -0.88 -4.97 115.64 103.53 2dkd s THR 247 Ca 0.24 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2dkd s THR 247 Cb -0.01 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2dkd s THR 247 CO 0.11 -0.13 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.99 2dkd s VAL 248 N -0.53 1.98 0.18 3.82 1.01 -1.26 -0.85 120.40 124.74 2dkd s VAL 248 Ca -0.06 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.05 2dkd s VAL 248 Cb -0.04 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2dkd s VAL 248 CO 0.02 0.54 -0.20 0.68 0.00 0.00 0.00 175.10 176.14 2dkd s VAL 249 N 0.38 2.61 -1.13 2.92 -7.23 0.56 -4.72 120.40 113.79 2dkd s VAL 249 Ca -0.18 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 2dkd s VAL 249 Cb -0.18 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2dkd s VAL 249 CO 0.08 -0.07 0.89 0.59 -0.31 0.00 0.00 175.10 176.28 2dkd n ASN 250 N 0.33 -4.66 -0.73 4.85 3.02 -1.26 -1.61 115.26 115.20 2dkd n ASN 250 Ca -0.13 -0.75 0.05 0.00 -0.03 0.00 0.00 54.58 53.71 2dkd n ASN 250 Cb 0.55 -4.75 0.20 0.00 -0.61 0.00 0.00 39.78 35.17 2dkd n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkd n GLY 251 N -1.33 4.69 2.69 7.41 0.00 -1.26 0.13 105.19 117.52 2dkd n GLY 251 Ca -0.15 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2dkd n GLY 251 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkd n ASP 252 N -1.03 6.06 0.06 1.61 2.03 -1.26 -4.69 116.55 119.32 2dkd n ASP 252 Ca 0.23 -3.04 0.09 0.00 0.52 0.00 0.00 54.79 52.60 2dkd n ASP 252 Cb 0.84 -1.48 0.39 0.00 -0.72 0.00 0.00 41.12 40.15 2dkd n ASP 252 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dkd n TYR 253 N 3.55 0.35 0.23 -0.67 0.18 -1.24 -2.15 117.16 117.40 2dkd n TYR 253 Ca 0.51 0.14 0.13 0.00 1.88 0.00 0.00 57.90 60.55 2dkd n TYR 253 Cb 0.32 -0.72 0.41 0.00 -0.38 0.00 0.00 39.34 38.97 2dkd n TYR 253 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 2dkd h LYS 254 N 0.00 0.00 -3.57 -3.48 6.56 -1.86 -3.37 116.57 110.85 2dkd h LYS 254 Ca 0.00 0.00 -0.74 0.00 -1.06 0.00 0.00 60.65 58.85 2dkd h LYS 254 Cb 0.30 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 31.64 2dkd h LYS 254 CO 0.00 0.09 -0.03 -0.65 -2.06 0.00 0.00 179.45 176.80 2dkd s GLN 255 N -3.45 3.32 0.45 3.15 -0.21 -0.92 -4.95 119.66 117.05 2dkd s GLN 255 Ca 0.03 -2.83 0.28 0.00 0.02 0.00 0.00 55.36 52.86 2dkd s GLN 255 Cb 0.08 -4.12 1.35 0.00 1.00 0.00 0.00 33.01 31.32 2dkd s GLN 255 CO 0.62 -1.24 1.70 -1.00 -2.12 0.00 0.00 175.29 173.26 2dkd h PRO 256 N 6.89 0.17 0.00 2.91 0.13 -1.82 -1.19 132.00 139.10 2dkd h PRO 256 Ca 0.10 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2dkd h PRO 256 Cb 0.93 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 2dkd h PRO 256 CO 0.81 0.11 -0.02 -2.95 -0.23 0.00 0.00 178.00 175.72 2dkd h ASN 257 N 0.18 0.00 0.04 1.44 7.08 -1.94 -2.48 115.58 119.89 2dkd h ASN 257 Ca 0.70 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.92 2dkd h ASN 257 Cb 2.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.45 2dkd h ASN 257 CO -0.28 0.02 -0.07 0.18 -2.08 0.00 0.00 177.43 175.21 2dkd n LEU 258 N -3.22 1.57 -4.69 6.14 4.77 -0.45 -4.78 117.00 116.34 2dkd n LEU 258 Ca -0.02 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 2dkd n LEU 258 Cb 0.17 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2dkd n LEU 258 CO 0.24 0.27 1.49 -0.22 -1.33 0.00 0.00 177.39 177.84 2dkd s LEU 259 N -2.12 4.40 -0.98 2.23 2.96 -0.94 -1.65 118.68 122.58 2dkd s LEU 259 Ca 0.33 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 57.01 2dkd s LEU 259 Cb 0.20 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.33 2dkd s LEU 259 CO 0.38 -1.01 0.00 0.59 -1.32 0.00 0.00 176.35 174.98 2dkd n ASN 260 N 5.82 -5.16 -4.59 3.68 3.02 -0.44 -4.50 115.26 113.10 2dkd n ASN 260 Ca 0.18 0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.54 2dkd n ASN 260 Cb 0.38 -3.79 -0.05 0.00 -0.61 0.00 0.00 39.78 35.72 2dkd n ASN 260 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2dkd s PHE 261 N -1.73 3.11 -1.30 3.10 2.19 -0.66 -4.05 117.98 118.64 2dkd s PHE 261 Ca 0.00 0.64 0.00 0.00 0.33 0.00 0.00 56.93 57.90 2dkd s PHE 261 Cb 0.00 -3.45 0.00 0.00 -1.31 0.00 0.00 43.02 38.26 2dkd s PHE 261 CO 0.00 -0.74 0.00 -0.25 1.83 0.00 0.00 175.22 176.06 2dkd n ASP 262 N 6.50 -3.95 -3.50 6.13 8.00 -1.26 -4.88 116.55 123.58 2dkd n ASP 262 Ca 0.04 0.24 -0.06 0.00 0.71 0.00 0.00 54.79 55.73 2dkd n ASP 262 Cb 0.48 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 2dkd n ASP 262 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dkd n GLY 264 N -0.53 2.29 0.24 0.00 0.00 -1.26 -4.43 105.19 101.51 2dkd n GLY 264 Ca -0.06 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 2dkd n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkd h ALA 265 N 0.00 0.79 -0.21 4.61 0.00 -1.10 -2.29 119.26 121.07 2dkd h ALA 265 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dkd h ALA 265 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dkd h ALA 265 CO 0.00 -0.17 0.13 0.22 0.00 0.00 0.00 179.25 179.43 2dkd h ASP 266 N 0.43 0.24 -0.40 0.00 3.58 -1.87 -0.89 116.42 117.51 2dkd h ASP 266 Ca 0.31 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.76 2dkd h ASP 266 Cb 0.36 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2dkd h ASP 266 CO -0.29 0.18 0.22 0.22 -2.88 0.00 0.00 179.24 176.68 2dkd h TYR 267 N 0.27 0.40 -0.33 0.28 3.20 -1.71 0.15 116.97 119.24 2dkd h TYR 267 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2dkd h TYR 267 Cb -0.02 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2dkd h TYR 267 CO -0.06 0.22 0.09 0.28 -1.64 0.00 0.00 178.16 177.05 2dkd h VAL 268 N 0.44 1.21 -0.20 1.81 2.07 -1.24 -0.57 116.25 119.77 2dkd h VAL 268 Ca 0.16 -0.69 -0.18 0.00 0.82 0.00 0.00 66.70 66.81 2dkd h VAL 268 Cb 0.05 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2dkd h VAL 268 CO -0.10 0.23 -0.62 0.50 0.02 0.00 0.00 177.57 177.61 2dkd h LYS 269 N 0.37 0.68 0.01 1.57 1.63 -1.03 0.29 116.57 120.10 2dkd h LYS 269 Ca 0.10 -0.47 -0.23 0.00 -0.85 0.00 0.00 60.65 59.21 2dkd h LYS 269 Cb 0.27 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2dkd h LYS 269 CO -0.00 1.09 -0.97 1.15 -3.45 0.00 0.00 179.45 177.27 2dkd h THR 270 N 0.51 1.41 -0.01 1.00 2.02 -0.69 -3.30 112.91 113.85 2dkd h THR 270 Ca -0.01 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2dkd h THR 270 Cb 1.20 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2dkd h THR 270 CO 0.12 0.75 -0.70 0.59 0.37 0.00 0.00 175.52 176.65 2dkd n ASN 271 N -3.72 1.52 -3.84 4.18 3.02 -0.22 -5.00 115.26 111.20 2dkd n ASN 271 Ca -0.07 -1.26 -0.24 0.00 -0.03 0.00 0.00 54.58 52.98 2dkd n ASN 271 Cb 0.85 0.72 0.01 0.00 -0.61 0.00 0.00 39.78 40.75 2dkd n ASN 271 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dkd n GLN 272 N -0.70 -4.15 -3.95 3.52 6.02 0.10 -4.98 117.38 113.24 2dkd n GLN 272 Ca 0.07 0.51 -0.10 0.00 -0.01 0.00 0.00 57.00 57.47 2dkd n GLN 272 Cb 0.39 -4.89 -0.06 0.00 1.02 0.00 0.00 30.24 26.70 2dkd n GLN 272 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2dkd s LYS 273 N -6.29 1.27 0.56 -1.09 -2.85 -1.13 -5.00 119.74 105.20 2dkd s LYS 273 Ca 0.05 -1.17 -0.20 0.00 -1.00 0.00 0.00 55.97 53.64 2dkd s LYS 273 Cb -0.02 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2dkd s LYS 273 CO 0.85 -0.49 1.23 -0.51 0.10 0.00 0.00 175.35 176.53 2dkd s LEU 274 N -2.98 3.76 0.60 2.77 1.43 -1.26 -4.47 118.68 118.53 2dkd s LEU 274 Ca 0.18 2.45 -0.10 0.00 -1.03 0.00 0.00 54.13 55.63 2dkd s LEU 274 Cb 0.02 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2dkd s LEU 274 CO 0.02 -1.47 0.99 -2.16 0.23 0.00 0.00 176.35 173.95 2dkd s PRO 275 N -3.14 3.57 0.59 1.29 0.04 -1.26 -4.97 135.00 131.13 2dkd s PRO 275 Ca 0.74 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 2dkd s PRO 275 Cb -0.32 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2dkd s PRO 275 CO 0.36 -0.51 1.26 1.17 0.04 0.00 0.00 177.00 179.31 2dkd n LYS 276 N -2.67 1.33 -1.01 4.56 4.81 0.48 -3.04 118.16 122.62 2dkd n LYS 276 Ca 0.05 0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2dkd n LYS 276 Cb 0.54 -2.47 -0.00 0.00 0.02 0.00 0.00 35.03 33.12 2dkd n LYS 276 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2dkd n ASN 277 N -1.26 -3.86 -4.20 3.14 5.03 -1.26 -4.84 115.26 108.00 2dkd n ASN 277 Ca 0.13 0.01 -0.35 0.00 0.87 0.00 0.00 54.58 55.24 2dkd n ASN 277 Cb 0.46 -1.40 -0.14 0.00 -1.02 0.00 0.00 39.78 37.69 2dkd n ASN 277 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2dkd s VAL 278 N -1.75 3.09 -0.84 2.41 1.01 -1.17 -4.94 120.40 118.21 2dkd s VAL 278 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 2dkd s VAL 278 Cb 0.00 -2.69 0.21 0.00 0.00 0.00 0.00 36.38 33.90 2dkd s VAL 278 CO 0.00 0.00 0.73 -1.59 0.00 0.00 0.00 175.10 174.25 2dkd s LYS 279 N 1.31 3.28 0.57 2.72 -2.85 -1.26 -4.88 119.74 118.62 2dkd s LYS 279 Ca -0.03 -2.93 -0.20 0.00 -1.00 0.00 0.00 55.97 51.81 2dkd s LYS 279 Cb -0.18 -4.06 -0.04 0.00 -2.06 0.00 0.00 37.83 31.48 2dkd s LYS 279 CO -0.02 -1.24 1.25 -0.35 0.10 0.00 0.00 175.35 175.10 2dkd n PRO 280 N 2.98 1.40 -3.86 1.78 -0.04 -1.26 -5.03 135.00 130.96 2dkd n PRO 280 Ca 0.17 0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 63.79 2dkd n PRO 280 Cb 0.39 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 2dkd n PRO 280 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dkd s VAL 281 N -1.35 5.37 0.56 0.52 1.01 -1.26 -5.05 120.40 120.19 2dkd s VAL 281 Ca 0.74 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 2dkd s VAL 281 Cb -0.42 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2dkd s VAL 281 CO 0.47 0.55 0.87 0.59 0.00 0.00 0.00 175.10 177.58 2dkd n ASN 282 N 2.60 0.45 -0.92 3.32 5.03 -1.26 -2.69 115.26 121.79 2dkd n ASN 282 Ca -0.18 0.84 -0.11 0.00 0.87 0.00 0.00 54.58 55.99 2dkd n ASN 282 Cb 0.54 -1.33 -0.05 0.00 -1.02 0.00 0.00 39.78 37.92 2dkd n ASN 282 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2dkd n ASN 283 N -0.22 -5.14 -4.76 6.41 3.02 -0.12 -4.95 115.26 109.50 2dkd n ASN 283 Ca 0.12 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.59 2dkd n ASN 283 Cb 0.46 -3.93 -0.08 0.00 -0.61 0.00 0.00 39.78 35.61 2dkd n ASN 283 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dkd s LYS 284 N -2.87 3.56 -0.00 3.52 2.20 -1.10 -4.52 119.74 120.53 2dkd s LYS 284 Ca 0.00 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2dkd s LYS 284 Cb 0.00 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2dkd s LYS 284 CO 0.00 0.58 0.99 -1.17 -0.36 0.00 0.00 175.35 175.39 2dkd s LEU 285 N -0.48 4.36 0.21 5.43 2.96 -1.26 -4.46 118.68 125.44 2dkd s LEU 285 Ca 0.11 1.66 0.11 0.00 -0.22 0.00 0.00 54.13 55.79 2dkd s LEU 285 Cb -0.12 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2dkd s LEU 285 CO 0.02 -0.28 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.24 2dkd s TYR 286 N 1.07 2.21 0.01 5.38 1.51 -0.18 -4.13 117.35 123.22 2dkd s TYR 286 Ca 0.52 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.22 2dkd s TYR 286 Cb -0.21 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 2dkd s TYR 286 CO 0.27 0.52 -0.04 0.00 -1.11 0.00 0.00 175.55 175.20 2dkd s ALA 287 N -1.94 0.27 -0.06 3.71 0.00 -0.99 -1.71 121.76 121.04 2dkd s ALA 287 Ca 0.22 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.88 2dkd s ALA 287 Cb -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2dkd s ALA 287 CO 0.10 -0.01 -0.19 -1.12 0.00 0.00 0.00 175.76 174.55 2dkd s SER 288 N -0.66 2.38 0.36 0.00 0.01 0.23 -0.48 113.70 115.53 2dkd s SER 288 Ca -0.05 -0.40 0.07 0.00 1.31 0.00 0.00 55.95 56.88 2dkd s SER 288 Cb -0.05 -0.79 -0.01 0.00 0.21 0.00 0.00 66.02 65.38 2dkd s SER 288 CO -0.00 0.15 0.48 -0.36 0.41 0.00 0.00 173.24 173.92 2dkd s PHE 289 N 0.15 3.00 0.59 2.43 2.99 -0.37 -1.78 117.98 124.99 2dkd s PHE 289 Ca -0.08 -0.28 0.10 0.00 0.00 0.00 0.00 56.93 56.67 2dkd s PHE 289 Cb -0.13 -2.09 0.10 0.00 0.00 0.00 0.00 43.02 40.90 2dkd s PHE 289 CO 0.04 -0.11 0.81 -0.40 -0.00 0.00 0.00 175.22 175.56 2dkd n ASP 290 N -1.67 2.11 -0.33 1.36 5.75 -1.07 -0.69 116.55 122.01 2dkd n ASP 290 Ca 0.02 -2.54 0.13 0.00 -0.01 0.00 0.00 54.79 52.38 2dkd n ASP 290 Cb 0.59 -0.43 0.31 0.00 -1.03 0.00 0.00 41.12 40.55 2dkd n ASP 290 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dkd h GLY 291 N 0.09 1.67 -2.47 6.12 0.00 -1.87 -2.37 103.07 104.24 2dkd h GLY 291 Ca -0.27 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2dkd h GLY 291 CO 0.39 -0.13 0.00 2.09 0.00 0.00 0.00 176.54 178.89 2dkd n ASP 292 N -4.87 4.24 -3.67 0.19 5.75 -1.25 -3.01 116.55 113.94 2dkd n ASP 292 Ca 0.22 -2.42 -0.23 0.00 -0.01 0.00 0.00 54.79 52.36 2dkd n ASP 292 Cb 0.59 -0.50 0.05 0.00 -1.03 0.00 0.00 41.12 40.23 2dkd n ASP 292 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dkd n ALA 293 N 0.80 -1.69 -0.09 2.12 0.00 -0.89 -1.80 120.51 118.95 2dkd n ALA 293 Ca 0.22 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2dkd n ALA 293 Cb 0.79 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2dkd n ALA 293 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dkd n ASP 294 N -3.01 1.56 -3.98 0.00 3.85 -1.26 -1.91 116.55 111.79 2dkd n ASP 294 Ca -0.15 -1.65 -0.22 0.00 -0.71 0.00 0.00 54.79 52.06 2dkd n ASP 294 Cb 0.62 0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 40.22 2dkd n ASP 294 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2dkd s ARG 295 N -0.65 1.28 -0.09 0.11 0.52 -1.26 -4.35 118.95 114.50 2dkd s ARG 295 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2dkd s ARG 295 Cb 0.00 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.35 2dkd s ARG 295 CO 0.00 0.02 -0.21 -1.17 0.02 0.00 0.00 175.30 173.96 2dkd s LEU 296 N 0.62 1.98 -0.09 2.53 2.96 -0.88 -2.60 118.68 123.20 2dkd s LEU 296 Ca -0.11 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2dkd s LEU 296 Cb -0.14 -1.26 0.03 0.00 0.50 0.00 0.00 46.19 45.31 2dkd s LEU 296 CO 0.02 0.12 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.50 2dkd s ILE 297 N 0.44 0.72 0.40 6.68 -1.09 -0.73 -4.29 121.20 123.33 2dkd s ILE 297 Ca -0.17 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.22 2dkd s ILE 297 Cb -0.17 -0.80 -0.01 0.00 -1.58 0.00 0.00 42.46 39.90 2dkd s ILE 297 CO 0.07 0.31 0.44 0.00 -1.23 0.00 0.00 174.94 174.53 2dkd s TYR 299 N -2.38 -0.06 0.23 0.00 -0.85 -0.69 -0.72 117.35 112.87 2dkd s TYR 299 Ca 0.49 -0.01 -0.16 0.00 -0.52 0.00 0.00 57.07 56.87 2dkd s TYR 299 Cb -0.06 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.82 2dkd s TYR 299 CO 0.30 -0.22 0.53 1.52 -1.52 0.00 0.00 175.55 176.15 2dkd s TYR 300 N -2.37 0.11 -0.11 -3.49 -0.85 -0.94 -1.01 117.35 108.68 2dkd s TYR 300 Ca 0.13 -0.49 -0.00 0.00 -0.52 0.00 0.00 57.07 56.19 2dkd s TYR 300 Cb 0.03 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 2dkd s TYR 300 CO -0.04 -1.01 -0.11 -1.14 -1.52 0.00 0.00 175.55 171.73 2dkd s GLN 301 N -3.95 3.21 0.49 -3.49 0.74 -1.26 -0.62 119.66 114.77 2dkd s GLN 301 Ca 0.16 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 2dkd s GLN 301 Cb -0.02 -2.64 0.10 0.00 1.10 0.00 0.00 33.01 31.56 2dkd s GLN 301 CO 0.05 0.35 0.67 0.27 -0.55 0.00 0.00 175.29 176.07 2dkd n ASN 302 N 3.15 0.57 0.00 6.67 0.23 -0.32 -0.95 115.26 124.62 2dkd n ASN 302 Ca -0.18 -1.56 0.05 0.00 -0.53 0.00 0.00 54.58 52.36 2dkd n ASN 302 Cb 0.53 -0.46 0.21 0.00 -2.08 0.00 0.00 39.78 37.98 2dkd n ASN 302 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2dkd n ASN 303 N -3.13 0.00 -1.26 0.53 3.02 -1.26 -1.41 115.26 111.76 2dkd n ASN 303 Ca 0.10 0.49 0.08 0.00 -0.03 0.00 0.00 54.58 55.22 2dkd n ASN 303 Cb 0.35 -0.49 0.31 0.00 -0.61 0.00 0.00 39.78 39.34 2dkd n ASN 303 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dkd n ASP 304 N -1.49 4.47 -1.30 6.41 8.00 -1.26 -4.92 116.55 126.45 2dkd n ASP 304 Ca 0.02 -2.83 -0.15 0.00 0.71 0.00 0.00 54.79 52.55 2dkd n ASP 304 Cb 0.11 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 2dkd n ASP 304 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2dkd n ASN 305 N 0.13 -4.76 -4.80 -2.24 3.02 -0.50 -4.99 115.26 101.12 2dkd n ASN 305 Ca 0.23 0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 54.67 2dkd n ASN 305 Cb 0.94 -3.67 -0.06 0.00 -0.61 0.00 0.00 39.78 36.38 2dkd n ASN 305 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dkd s LYS 306 N -3.66 4.25 -0.14 3.52 1.02 -1.26 -4.81 119.74 118.67 2dkd s LYS 306 Ca 0.00 0.77 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 2dkd s LYS 306 Cb 0.00 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 2dkd s LYS 306 CO 0.00 0.59 1.18 0.12 -0.92 0.00 0.00 175.35 176.32 2dkd s PHE 307 N -0.95 3.10 -0.34 3.18 5.36 -1.26 -1.17 117.98 125.90 2dkd s PHE 307 Ca 0.30 1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2dkd s PHE 307 Cb -0.20 -3.41 0.07 0.00 -0.34 0.00 0.00 43.02 39.15 2dkd s PHE 307 CO 0.19 -1.22 0.07 0.15 -1.46 0.00 0.00 175.22 172.96 2dkd s LYS 308 N 2.92 2.31 0.16 10.12 -0.14 0.20 -4.99 119.74 130.33 2dkd s LYS 308 Ca 0.52 -1.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.41 2dkd s LYS 308 Cb -0.21 -3.34 -0.07 0.00 -1.68 0.00 0.00 37.83 32.53 2dkd s LYS 308 CO 0.15 -0.76 1.15 -1.17 -0.76 0.00 0.00 175.35 173.96 2dkd s LEU 309 N 1.23 4.46 -0.64 3.17 2.96 -1.26 -2.22 118.68 126.38 2dkd s LEU 309 Ca -0.00 2.13 0.05 0.00 -0.22 0.00 0.00 54.13 56.09 2dkd s LEU 309 Cb -0.21 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 43.05 2dkd s LEU 309 CO -0.02 -0.31 0.44 -0.76 -1.32 0.00 0.00 176.35 174.38 2dkd s LEU 310 N -0.12 4.27 0.00 -0.68 1.43 0.10 -4.95 118.68 118.73 2dkd s LEU 310 Ca 0.52 -3.63 0.00 0.00 -1.03 0.00 0.00 54.13 49.99 2dkd s LEU 310 Cb -0.31 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2dkd s LEU 310 CO 0.35 -0.12 0.00 -0.90 0.23 0.00 0.00 176.35 175.91 2dkd n ASP 311 N 2.26 0.00 -0.28 2.29 5.68 -1.26 -1.92 116.55 123.32 2dkd n ASP 311 Ca 0.19 -0.54 0.16 0.00 -0.50 0.00 0.00 54.79 54.09 2dkd n ASP 311 Cb 0.36 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.77 2dkd n ASP 311 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dkd h GLY 312 N 0.00 1.18 1.90 6.12 0.00 -1.18 -1.09 103.07 110.00 2dkd h GLY 312 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2dkd h GLY 312 CO 0.00 0.01 -0.38 -0.55 0.00 0.00 0.00 176.54 175.62 2dkd h ASP 313 N 0.57 0.00 0.38 0.19 3.32 -1.79 -1.98 116.42 117.12 2dkd h ASP 313 Ca 0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.41 2dkd h ASP 313 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2dkd h ASP 313 CO -0.23 0.28 -0.56 0.11 -1.72 0.00 0.00 179.24 177.12 2dkd h LYS 314 N 0.00 0.19 0.04 3.56 1.79 -1.54 -1.87 116.57 118.74 2dkd h LYS 314 Ca -0.01 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2dkd h LYS 314 Cb 1.22 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2dkd h LYS 314 CO 0.04 0.70 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.01 2dkd h LEU 315 N 0.14 -0.05 -1.08 2.94 3.38 -1.15 -2.09 115.31 117.41 2dkd h LEU 315 Ca -0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2dkd h LEU 315 Cb 1.03 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2dkd h LEU 315 CO 0.08 0.48 0.53 0.77 0.09 0.00 0.00 178.44 180.40 2dkd h SER 316 N -0.59 1.02 0.68 -0.43 4.64 -1.35 -1.41 113.55 116.11 2dkd h SER 316 Ca -0.01 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 2dkd h SER 316 Cb 0.53 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2dkd h SER 316 CO 0.01 0.77 -0.41 0.71 -0.87 0.00 0.00 176.83 177.04 2dkd h THR 317 N 1.19 1.05 -0.14 2.95 1.35 -1.37 -1.18 112.91 116.75 2dkd h THR 317 Ca 0.31 -1.55 -0.07 0.00 -0.55 0.00 0.00 66.41 64.56 2dkd h THR 317 Cb -0.07 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2dkd h THR 317 CO -0.06 0.40 -0.18 0.25 -0.25 0.00 0.00 175.52 175.68 2dkd h LEU 318 N 0.00 0.40 -0.86 3.87 5.85 -0.61 -2.24 115.31 121.73 2dkd h LEU 318 Ca -0.00 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 2dkd h LEU 318 Cb 0.86 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2dkd h LEU 318 CO 0.05 0.83 0.27 -0.26 -0.34 0.00 0.00 178.44 178.99 2dkd h PHE 319 N -0.01 1.13 -0.35 1.25 0.05 -1.12 -1.02 116.94 116.87 2dkd h PHE 319 Ca 0.02 -0.09 -0.01 0.00 3.82 0.00 0.00 57.97 61.70 2dkd h PHE 319 Cb 0.73 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 2dkd h PHE 319 CO 0.09 0.88 0.17 0.00 -0.18 0.00 0.00 178.31 179.26 2dkd h ALA 320 N 1.21 0.46 -0.63 2.45 0.00 -1.20 -0.08 119.26 121.46 2dkd h ALA 320 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2dkd h ALA 320 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2dkd h ALA 320 CO -0.02 0.02 0.33 1.25 0.00 0.00 0.00 179.25 180.83 2dkd h LEU 321 N 0.43 0.80 0.32 0.00 5.85 -1.15 -1.29 115.31 120.27 2dkd h LEU 321 Ca 0.12 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2dkd h LEU 321 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2dkd h LEU 321 CO -0.02 0.68 -0.31 0.15 -0.34 0.00 0.00 178.44 178.61 2dkd h PHE 322 N 0.86 -0.83 -0.07 1.25 3.57 -0.87 0.28 116.94 121.14 2dkd h PHE 322 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.75 2dkd h PHE 322 Cb 0.07 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2dkd h PHE 322 CO -0.00 -0.45 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.44 2dkd h LEU 323 N -0.65 -0.36 -0.90 0.59 3.38 -0.85 -1.48 115.31 115.03 2dkd h LEU 323 Ca -0.02 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.17 2dkd h LEU 323 Cb 0.60 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 2dkd h LEU 323 CO -0.06 -0.16 0.50 -0.61 0.09 0.00 0.00 178.44 178.21 2dkd h GLN 324 N -0.17 0.70 -0.38 1.13 4.15 -1.08 0.79 115.11 120.25 2dkd h GLN 324 Ca 0.07 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 2dkd h GLN 324 Cb 0.26 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2dkd h GLN 324 CO -0.17 0.46 0.02 1.96 -1.93 0.00 0.00 178.83 179.17 2dkd h GLN 325 N 0.72 0.60 -0.17 1.69 1.08 -0.09 -2.81 115.11 116.13 2dkd h GLN 325 Ca 0.49 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2dkd h GLN 325 Cb 0.66 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2dkd h GLN 325 CO -0.34 0.61 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.03 2dkd h LEU 326 N 0.57 0.34 -0.98 1.46 3.38 0.09 -3.14 115.31 117.03 2dkd h LEU 326 Ca 0.12 -0.37 0.23 0.00 0.09 0.00 0.00 57.88 57.95 2dkd h LEU 326 Cb 0.34 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 2dkd h LEU 326 CO 0.01 0.63 0.56 -0.26 0.09 0.00 0.00 178.44 179.48 2dkd h PHE 327 N 0.04 0.97 0.00 1.13 0.05 -0.97 0.20 116.94 118.36 2dkd h PHE 327 Ca 0.04 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.87 2dkd h PHE 327 Cb 0.48 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.16 2dkd h PHE 327 CO 0.05 0.08 0.00 0.87 -0.18 0.00 0.00 178.31 179.14 2dkd h LYS 328 N 0.59 0.00 0.00 1.51 1.57 -1.47 -1.02 116.57 117.75 2dkd h LYS 328 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2dkd h LYS 328 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2dkd h LYS 328 CO -0.46 0.00 -1.02 1.04 -0.57 0.00 0.00 179.45 178.44 2dkd n GLN 329 N -2.32 0.11 -4.43 3.15 1.13 0.71 -4.92 117.38 110.81 2dkd n GLN 329 Ca -0.01 -0.02 -0.34 0.00 -1.94 0.00 0.00 57.00 54.70 2dkd n GLN 329 Cb 0.08 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 28.81 2dkd n GLN 329 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2dkd s ILE 330 N -3.08 4.02 -0.27 5.09 -4.36 -0.39 -3.87 121.20 118.34 2dkd s ILE 330 Ca 0.06 -0.47 -0.28 0.00 -0.26 0.00 0.00 60.65 59.70 2dkd s ILE 330 Cb 0.16 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2dkd s ILE 330 CO 0.84 0.52 2.08 -0.62 0.24 0.00 0.00 174.94 177.99 2dkd s ASP 331 N -1.10 5.56 0.46 4.36 2.15 -1.26 -4.88 116.67 121.96 2dkd s ASP 331 Ca 0.15 1.64 0.31 0.00 0.43 0.00 0.00 52.55 55.09 2dkd s ASP 331 Cb -0.11 -2.52 1.56 0.00 -0.30 0.00 0.00 42.92 41.55 2dkd s ASP 331 CO 0.05 -1.91 1.95 1.55 -0.17 0.00 0.00 175.17 176.63 2dkd h PRO 332 N 14.48 0.00 0.00 4.34 0.13 -1.87 -1.66 132.00 147.42 2dkd h PRO 332 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2dkd h PRO 332 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dkd h PRO 332 CO 0.99 0.00 -0.61 -2.37 -0.23 0.00 0.00 178.00 175.78 2dkd n THR 333 N -2.67 0.06 -0.04 1.56 5.66 -1.26 -3.89 114.28 113.71 2dkd n THR 333 Ca -0.01 -0.06 0.03 0.00 -3.05 0.00 0.00 64.05 60.96 2dkd n THR 333 Cb 0.14 0.25 -0.16 0.00 -1.55 0.00 0.00 70.33 69.01 2dkd n THR 333 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dkd n LYS 334 N -1.63 0.67 -3.66 1.09 4.01 -0.66 -4.95 118.16 113.03 2dkd n LYS 334 Ca 0.05 -0.11 -0.08 0.00 -0.51 0.00 0.00 58.31 57.66 2dkd n LYS 334 Cb 0.36 -1.54 -0.08 0.00 -0.51 0.00 0.00 35.03 33.26 2dkd n LYS 334 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2dkd s ILE 335 N -3.11 -0.10 -0.26 -0.18 2.07 -0.96 -5.07 121.20 113.59 2dkd s ILE 335 Ca -0.08 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.15 2dkd s ILE 335 Cb 0.11 -0.87 0.01 0.00 0.13 0.00 0.00 42.46 41.84 2dkd s ILE 335 CO 0.87 0.01 -0.00 -0.55 -1.91 0.00 0.00 174.94 173.37 2dkd s SER 336 N 1.69 4.63 0.04 4.50 0.15 -1.26 -4.35 113.70 119.09 2dkd s SER 336 Ca -0.09 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 55.90 2dkd s SER 336 Cb -0.07 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.46 2dkd s SER 336 CO -0.18 -0.13 -0.14 -0.76 1.20 0.00 0.00 173.24 173.24 2dkd s LEU 337 N 1.42 2.17 0.41 3.45 1.43 -1.26 -5.09 118.68 121.21 2dkd s LEU 337 Ca 0.02 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2dkd s LEU 337 Cb -0.16 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.41 2dkd s LEU 337 CO -0.02 0.02 0.06 0.54 0.23 0.00 0.00 176.35 177.19 2dkd s ASN 338 N -1.14 4.06 0.02 2.29 6.03 -1.26 -5.05 114.94 119.89 2dkd s ASN 338 Ca 0.01 -1.27 0.00 0.00 -1.03 0.00 0.00 52.86 50.57 2dkd s ASN 338 Cb -0.08 -0.43 -0.02 0.00 -3.03 0.00 0.00 41.25 37.70 2dkd s ASN 338 CO 0.01 -0.48 -0.03 -0.63 -2.03 0.00 0.00 177.10 173.94 2dkd s ILE 339 N -2.67 0.16 -0.01 0.54 1.01 -1.26 -2.65 121.20 116.31 2dkd s ILE 339 Ca 0.37 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2dkd s ILE 339 Cb 0.08 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.28 2dkd s ILE 339 CO 0.19 -0.40 0.07 -0.83 0.00 0.00 0.00 174.94 173.97 2dkd s GLY 340 N -1.24 0.03 -0.18 6.18 0.00 -0.87 -4.07 107.32 107.17 2dkd s GLY 340 Ca -0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 2dkd s GLY 340 CO -0.01 -0.08 -0.03 0.14 0.00 0.00 0.00 173.10 173.12 2dkd s VAL 341 N -0.57 3.77 -0.13 1.40 1.01 -0.32 -1.08 120.40 124.48 2dkd s VAL 341 Ca -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2dkd s VAL 341 Cb -0.04 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2dkd s VAL 341 CO 0.00 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 2dkd s VAL 342 N 0.79 3.44 0.36 2.92 1.01 0.11 -1.07 120.40 127.95 2dkd s VAL 342 Ca -0.01 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2dkd s VAL 342 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2dkd s VAL 342 CO 0.02 0.52 0.22 0.00 0.00 0.00 0.00 175.10 175.86 2dkd n GLN 343 N 3.36 0.47 -4.62 2.72 6.02 0.90 -2.82 117.38 123.41 2dkd n GLN 343 Ca -0.18 -3.31 -0.28 0.00 -0.01 0.00 0.00 57.00 53.22 2dkd n GLN 343 Cb 0.53 2.32 -0.10 0.00 1.02 0.00 0.00 30.24 34.01 2dkd n GLN 343 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2dkd s THR 344 N -3.21 1.46 -0.43 5.09 -4.23 -1.26 -0.89 115.64 112.17 2dkd s THR 344 Ca 0.31 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.00 2dkd s THR 344 Cb 0.02 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 71.39 2dkd s THR 344 CO 0.22 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 175.86 2dkd n ALA 345 N -0.99 1.21 1.11 3.99 0.00 -1.26 -1.92 120.51 122.65 2dkd n ALA 345 Ca -0.09 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.62 2dkd n ALA 345 Cb 0.67 -1.28 0.65 0.00 0.00 0.00 0.00 19.45 19.49 2dkd n ALA 345 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dkd n TYR 346 N -2.10 0.00 -2.18 0.00 4.02 -1.26 -4.86 117.16 110.79 2dkd n TYR 346 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 2dkd n TYR 346 Cb 0.08 -0.43 -0.01 0.00 -0.02 0.00 0.00 39.34 38.96 2dkd n TYR 346 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dkd s ALA 347 N -2.87 3.11 0.10 -0.72 0.00 -0.81 -4.81 121.76 115.77 2dkd s ALA 347 Ca 0.18 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 2dkd s ALA 347 Cb 0.19 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2dkd s ALA 347 CO 0.50 -0.71 1.53 1.21 0.00 0.00 0.00 175.76 178.29 2dkd s ASN 348 N -1.07 6.68 0.44 0.00 2.47 -1.26 -4.86 114.94 117.34 2dkd s ASN 348 Ca 0.60 2.44 0.28 0.00 0.42 0.00 0.00 52.86 56.59 2dkd s ASN 348 Cb -0.33 -2.58 1.34 0.00 -1.45 0.00 0.00 41.25 38.23 2dkd s ASN 348 CO 0.41 -0.79 1.70 1.23 -3.72 0.00 0.00 177.10 175.92 2dkd h GLY 349 N 7.63 1.06 1.90 1.21 0.00 -1.94 0.22 103.07 113.15 2dkd h GLY 349 Ca -0.42 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2dkd h GLY 349 CO 0.91 -0.24 -0.19 1.76 0.00 0.00 0.00 176.54 178.78 2dkd h SER 350 N 0.18 0.12 -0.22 0.19 0.02 -1.89 -2.20 113.55 109.75 2dkd h SER 350 Ca 0.71 -0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 61.44 2dkd h SER 350 Cb 2.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.72 2dkd h SER 350 CO -0.31 0.32 -0.64 0.77 -1.14 0.00 0.00 176.83 175.84 2dkd h SER 351 N 0.12 0.95 -0.72 3.07 4.64 -0.90 -2.19 113.55 118.52 2dkd h SER 351 Ca 0.02 -0.55 -0.06 0.00 -0.47 0.00 0.00 61.79 60.73 2dkd h SER 351 Cb 0.41 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2dkd h SER 351 CO 0.03 1.35 0.23 0.74 -0.87 0.00 0.00 176.83 178.31 2dkd h THR 352 N 0.62 1.26 -0.37 2.95 2.02 -1.43 -2.09 112.91 115.86 2dkd h THR 352 Ca -0.01 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 2dkd h THR 352 Cb 1.25 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2dkd h THR 352 CO 0.14 0.35 0.05 0.11 0.37 0.00 0.00 175.52 176.54 2dkd h LYS 353 N 1.06 0.63 -0.24 6.66 1.79 -1.38 -2.37 116.57 122.72 2dkd h LYS 353 Ca 0.23 -0.17 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 2dkd h LYS 353 Cb 0.30 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 2dkd h LYS 353 CO -0.01 0.69 -0.04 -0.92 -1.08 0.00 0.00 179.45 178.09 2dkd h TYR 354 N 0.46 -0.10 -0.45 -1.35 3.20 -1.14 0.53 116.97 118.13 2dkd h TYR 354 Ca 0.11 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2dkd h TYR 354 Cb 0.38 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2dkd h TYR 354 CO 0.03 -0.09 0.28 0.28 -1.64 0.00 0.00 178.16 177.02 2dkd h VAL 355 N 0.02 1.14 -0.03 1.81 2.07 -1.33 0.14 116.25 120.06 2dkd h VAL 355 Ca 0.11 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2dkd h VAL 355 Cb 0.17 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2dkd h VAL 355 CO -0.23 0.14 -0.07 -0.33 0.02 0.00 0.00 177.57 177.10 2dkd h GLU 356 N 0.60 0.09 0.00 1.57 5.08 -0.99 0.33 114.58 121.27 2dkd h GLU 356 Ca 0.16 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 2dkd h GLU 356 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2dkd h GLU 356 CO -0.03 0.66 -1.15 -0.44 -1.00 0.00 0.00 179.01 177.05 2dkd h ASP 357 N -0.46 0.00 0.00 1.42 3.32 0.02 -3.15 116.42 117.57 2dkd h ASP 357 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2dkd h ASP 357 Cb 0.66 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2dkd h ASP 357 CO 0.01 0.60 -1.78 0.52 -1.72 0.00 0.00 179.24 176.88 2dkd n VAL 358 N -3.02 1.23 0.09 -1.35 0.31 0.39 -4.60 118.33 111.39 2dkd n VAL 358 Ca -0.06 -0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.04 2dkd n VAL 358 Cb 0.83 -1.89 0.03 0.00 -0.91 0.00 0.00 33.84 31.89 2dkd n VAL 358 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dkd h LEU 359 N -0.75 0.20 -1.25 7.52 3.38 -1.27 -3.47 115.31 119.67 2dkd h LEU 359 Ca -0.39 -0.15 -0.36 0.00 0.09 0.00 0.00 57.88 57.07 2dkd h LEU 359 Cb 1.27 -0.06 0.15 0.00 0.09 0.00 0.00 40.66 42.11 2dkd h LEU 359 CO -0.23 0.93 -0.72 0.29 0.09 0.00 0.00 178.44 178.79 2dkd n LYS 360 N -3.68 -7.25 -4.38 1.13 5.02 0.11 -5.00 118.16 104.11 2dkd n LYS 360 Ca -0.03 0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 56.80 2dkd n LYS 360 Cb 0.76 -5.84 -0.12 0.00 -0.02 0.00 0.00 35.03 29.81 2dkd n LYS 360 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dkd s ILE 361 N -3.34 2.68 0.40 -0.18 1.09 -0.80 -5.01 121.20 116.04 2dkd s ILE 361 Ca 0.29 -1.53 -0.27 0.00 -1.10 0.00 0.00 60.65 58.05 2dkd s ILE 361 Cb -0.13 -2.21 -0.10 0.00 -1.06 0.00 0.00 42.46 38.96 2dkd s ILE 361 CO 0.72 0.13 1.47 -2.84 -0.10 0.00 0.00 174.94 174.32 2dkd s PRO 362 N -2.02 3.97 0.02 2.79 0.02 -1.26 -4.19 135.00 134.33 2dkd s PRO 362 Ca 0.16 2.52 0.06 0.00 0.02 0.00 0.00 61.00 63.77 2dkd s PRO 362 Cb -0.10 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 2dkd s PRO 362 CO 0.08 -0.63 -0.17 0.08 -0.33 0.00 0.00 177.00 176.03 2dkd s VAL 363 N -1.15 1.38 0.00 3.83 1.01 -1.26 -1.17 120.40 123.04 2dkd s VAL 363 Ca 0.55 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2dkd s VAL 363 Cb -0.46 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2dkd s VAL 363 CO 0.61 0.20 -0.05 -0.13 0.00 0.00 0.00 175.10 175.73 2dkd s ARG 364 N -0.91 0.36 -0.15 2.72 1.81 -0.23 -4.96 118.95 117.58 2dkd s ARG 364 Ca 0.05 -0.24 -0.01 0.00 -1.72 0.00 0.00 55.73 53.82 2dkd s ARG 364 Cb -0.08 -0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 2dkd s ARG 364 CO 0.01 0.08 -0.13 0.00 -0.68 0.00 0.00 175.30 174.58 2dkd s THR 366 N 0.71 1.60 0.95 0.00 -4.23 -0.06 -4.84 115.64 109.77 2dkd s THR 366 Ca -0.06 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 2dkd s THR 366 Cb -0.15 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.04 2dkd s THR 366 CO 0.02 0.00 1.09 -2.84 -0.54 0.00 0.00 174.62 172.35 2dkd s PRO 367 N -3.78 0.78 0.71 3.99 0.02 -1.26 -4.25 135.00 131.21 2dkd s PRO 367 Ca 0.31 1.02 -0.14 0.00 0.02 0.00 0.00 61.00 62.21 2dkd s PRO 367 Cb 0.08 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.89 2dkd s PRO 367 CO 0.15 -2.62 1.13 0.95 -0.33 0.00 0.00 177.00 176.28 2dkd s THR 368 N -2.76 2.96 0.00 0.99 -4.23 -1.26 -4.54 115.64 106.79 2dkd s THR 368 Ca 0.65 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2dkd s THR 368 Cb -0.21 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2dkd s THR 368 CO 0.59 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2dkd n GLY 369 N -0.34 2.47 0.41 3.99 0.00 -1.26 -4.78 105.19 105.68 2dkd n GLY 369 Ca 0.11 -1.11 0.23 0.00 0.00 0.00 0.00 46.02 45.25 2dkd n GLY 369 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2dkd h VAL 370 N 0.00 0.44 -0.57 1.61 -1.51 -1.97 -0.25 116.25 113.99 2dkd h VAL 370 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2dkd h VAL 370 Cb 0.00 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 29.73 2dkd h VAL 370 CO 0.00 0.00 0.29 0.50 -1.23 0.00 0.00 177.57 177.13 2dkd h LYS 371 N 0.00 0.81 -0.33 5.19 3.64 -1.96 0.50 116.57 124.43 2dkd h LYS 371 Ca 0.28 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2dkd h LYS 371 Cb 1.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2dkd h LYS 371 CO -0.00 0.64 -0.13 0.45 -2.27 0.00 0.00 179.45 178.14 2dkd h HIS 372 N 0.77 0.78 -0.16 1.91 3.86 -1.36 -0.79 115.15 120.16 2dkd h HIS 372 Ca 0.20 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2dkd h HIS 372 Cb 0.09 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2dkd h HIS 372 CO -0.01 0.88 0.06 -0.07 0.86 0.00 0.00 177.93 179.65 2dkd h LEU 373 N 0.45 0.23 -0.86 2.43 3.38 -1.15 -2.29 115.31 117.50 2dkd h LEU 373 Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2dkd h LEU 373 Cb 0.66 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2dkd h LEU 373 CO 0.04 0.35 0.45 -0.74 0.09 0.00 0.00 178.44 178.64 2dkd h HIS 374 N 0.09 1.21 -0.30 1.13 2.76 0.02 -1.83 115.15 118.23 2dkd h HIS 374 Ca 0.05 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2dkd h HIS 374 Cb 0.20 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 2dkd h HIS 374 CO -0.01 0.85 0.20 1.25 -1.30 0.00 0.00 177.93 178.92 2dkd h HIS 375 N 1.21 0.38 -0.26 5.26 -0.00 -0.95 -2.54 115.15 118.25 2dkd h HIS 375 Ca 0.30 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.59 2dkd h HIS 375 Cb 0.06 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 2dkd h HIS 375 CO 0.01 0.24 -0.21 1.49 -0.00 0.00 0.00 177.93 179.47 2dkd h GLU 376 N 0.41 0.47 0.00 5.26 4.57 -1.21 -2.73 114.58 121.35 2dkd h GLU 376 Ca 0.11 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2dkd h GLU 376 Cb -0.04 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2dkd h GLU 376 CO -0.02 0.66 -0.07 0.00 -1.18 0.00 0.00 179.01 178.40 2dkd h ALA 377 N 1.36 1.18 0.00 2.92 0.00 -0.93 -1.87 119.26 121.91 2dkd h ALA 377 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dkd h ALA 377 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dkd h ALA 377 CO 0.04 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.76 2dkd n GLU 378 N -3.43 0.02 -0.03 0.00 1.02 -1.03 -2.67 120.64 114.53 2dkd n GLU 378 Ca -0.02 0.22 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 2dkd n GLU 378 Cb 0.21 -1.53 0.25 0.00 -0.02 0.00 0.00 31.44 30.34 2dkd n GLU 378 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dkd n ASN 379 N -1.56 0.34 -4.32 1.62 3.02 -0.70 -4.83 115.26 108.82 2dkd n ASN 379 Ca 0.04 -1.77 -0.17 0.00 -0.03 0.00 0.00 54.58 52.65 2dkd n ASN 379 Cb 0.21 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.24 2dkd n ASN 379 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2dkd s PHE 380 N -1.93 1.53 0.12 3.10 0.40 -1.09 -5.04 117.98 115.08 2dkd s PHE 380 Ca 0.15 -0.82 -0.13 0.00 -0.60 0.00 0.00 56.93 55.53 2dkd s PHE 380 Cb 0.07 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 2dkd s PHE 380 CO 0.12 0.07 1.48 -0.44 0.70 0.00 0.00 175.22 177.14 2dkd h ASP 381 N 2.54 0.83 -3.25 1.36 3.45 -1.87 -3.39 116.42 116.10 2dkd h ASP 381 Ca -0.38 -0.43 -0.52 0.00 0.43 0.00 0.00 57.03 56.13 2dkd h ASP 381 Cb 1.21 -0.23 -0.38 0.00 -0.56 0.00 0.00 39.33 39.38 2dkd h ASP 381 CO 0.64 1.08 -0.79 -0.63 -1.57 0.00 0.00 179.24 177.97 2dkd s ILE 382 N -4.54 0.91 -0.21 0.35 1.01 -1.09 -0.18 121.20 117.46 2dkd s ILE 382 Ca -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2dkd s ILE 382 Cb 0.10 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2dkd s ILE 382 CO 0.84 0.22 -0.10 -0.83 0.00 0.00 0.00 174.94 175.08 2dkd s GLY 383 N 1.74 1.54 -0.28 6.18 0.00 -0.16 -2.04 107.32 114.29 2dkd s GLY 383 Ca 0.03 -1.21 -0.10 0.00 0.00 0.00 0.00 44.72 43.44 2dkd s GLY 383 CO -0.08 0.38 0.17 0.14 0.00 0.00 0.00 173.10 173.72 2dkd s VAL 384 N 1.40 5.14 -0.05 1.40 1.01 -0.24 -1.22 120.40 127.85 2dkd s VAL 384 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2dkd s VAL 384 Cb -0.14 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2dkd s VAL 384 CO -0.07 0.26 -0.05 -0.72 0.00 0.00 0.00 175.10 174.52 2dkd s TYR 385 N 1.74 0.82 0.00 5.22 -0.85 -0.56 0.06 117.35 123.77 2dkd s TYR 385 Ca 0.07 -0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.29 2dkd s TYR 385 Cb -0.16 -0.71 0.01 0.00 0.38 0.00 0.00 41.96 41.48 2dkd s TYR 385 CO 0.10 -0.20 0.18 -0.06 -1.52 0.00 0.00 175.55 174.05 2dkd s PHE 386 N 0.91 -0.01 0.11 -3.49 0.40 -1.13 -1.09 117.98 113.68 2dkd s PHE 386 Ca -0.11 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2dkd s PHE 386 Cb -0.14 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 2dkd s PHE 386 CO 0.00 -0.33 0.16 -1.21 0.70 0.00 0.00 175.22 174.55 2dkd s GLU 387 N -1.48 3.10 0.54 0.44 2.02 0.46 -4.49 118.70 119.28 2dkd s GLU 387 Ca -0.14 -0.67 0.23 0.00 0.02 0.00 0.00 54.97 54.41 2dkd s GLU 387 Cb -0.06 -2.81 1.39 0.00 0.10 0.00 0.00 34.13 32.74 2dkd s GLU 387 CO 0.02 0.55 2.07 0.00 0.02 0.00 0.00 175.26 177.91 2dkd h ALA 388 N 2.80 2.23 0.00 5.21 0.00 -1.87 -1.45 119.26 126.18 2dkd h ALA 388 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2dkd h ALA 388 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2dkd h ALA 388 CO 0.68 -0.38 0.00 0.27 0.00 0.00 0.00 179.25 179.82 2dkd n ASN 389 N -4.35 0.00 0.00 0.00 0.23 -1.26 -0.92 115.26 108.96 2dkd n ASN 389 Ca 0.04 -0.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 2dkd n ASN 389 Cb 0.39 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2dkd n ASN 389 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dkd n GLY 390 N -0.32 0.31 3.70 4.83 0.00 -0.55 -4.59 105.19 108.57 2dkd n GLY 390 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2dkd n GLY 390 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dkd s HIS 391 N -2.00 3.53 0.00 1.61 5.04 -1.25 -2.08 115.29 120.14 2dkd s HIS 391 Ca 0.00 1.21 0.00 0.00 -1.54 0.00 0.00 55.06 54.73 2dkd s HIS 391 Cb 0.00 -2.83 0.00 0.00 0.04 0.00 0.00 32.58 29.79 2dkd s HIS 391 CO 0.00 0.01 0.00 0.41 -2.34 0.00 0.00 174.74 172.82 2dkd n GLY 392 N 3.25 1.14 0.89 1.59 0.00 -1.26 -0.40 105.19 110.39 2dkd n GLY 392 Ca -0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 2dkd n GLY 392 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dkd n THR 393 N -0.72 0.00 -4.93 2.61 5.66 -0.25 -3.90 114.28 112.75 2dkd n THR 393 Ca 0.00 -0.14 -0.27 0.00 -3.05 0.00 0.00 64.05 60.59 2dkd n THR 393 Cb 0.00 0.18 -0.16 0.00 -1.55 0.00 0.00 70.33 68.80 2dkd n THR 393 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dkd s VAL 394 N -2.48 1.58 0.14 1.08 1.01 -1.26 -1.50 120.40 118.97 2dkd s VAL 394 Ca 0.05 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.35 2dkd s VAL 394 Cb -0.01 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2dkd s VAL 394 CO 0.01 0.45 -0.26 0.27 0.00 0.00 0.00 175.10 175.58 2dkd s ILE 395 N 0.09 2.21 -0.07 2.22 -4.36 -0.35 -4.20 121.20 116.73 2dkd s ILE 395 Ca -0.06 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 2dkd s ILE 395 Cb -0.13 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 2dkd s ILE 395 CO 0.03 0.03 -0.18 -0.36 0.24 0.00 0.00 174.94 174.70 2dkd s PHE 396 N -1.21 2.62 0.27 1.37 0.40 -1.26 -0.99 117.98 119.17 2dkd s PHE 396 Ca 0.15 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 2dkd s PHE 396 Cb -0.09 -1.66 -0.11 0.00 0.51 0.00 0.00 43.02 41.67 2dkd s PHE 396 CO 0.07 -0.03 1.53 1.21 0.70 0.00 0.00 175.22 178.69 2dkd s ASN 397 N -0.32 6.50 0.21 1.36 3.84 0.75 -4.80 114.94 122.47 2dkd s ASN 397 Ca 0.02 2.81 -0.11 0.00 0.21 0.00 0.00 52.86 55.80 2dkd s ASN 397 Cb -0.13 -2.63 0.30 0.00 -0.55 0.00 0.00 41.25 38.24 2dkd s ASN 397 CO 0.02 -0.82 1.67 -0.65 -2.79 0.00 0.00 177.10 174.53 2dkd h PRO 398 N 5.02 0.12 -0.75 0.43 0.11 -1.96 0.83 132.00 135.80 2dkd h PRO 398 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2dkd h PRO 398 Cb 1.22 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2dkd h PRO 398 CO 0.79 0.08 0.31 1.49 -0.21 0.00 0.00 178.00 180.46 2dkd h GLU 399 N 0.13 1.12 -0.26 1.05 4.81 -1.97 -1.86 114.58 117.59 2dkd h GLU 399 Ca 0.32 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2dkd h GLU 399 Cb 0.52 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2dkd h GLU 399 CO -0.52 0.90 0.02 0.00 -0.73 0.00 0.00 179.01 178.68 2dkd h ALA 400 N 1.24 0.35 -0.87 2.92 0.00 -1.53 -2.27 119.26 119.10 2dkd h ALA 400 Ca 0.25 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2dkd h ALA 400 Cb 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2dkd h ALA 400 CO -0.02 0.06 0.57 1.49 0.00 0.00 0.00 179.25 181.35 2dkd h GLU 401 N 0.24 1.04 -0.65 0.00 4.81 -0.65 -0.47 114.58 118.90 2dkd h GLU 401 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2dkd h GLU 401 Cb 0.37 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2dkd h GLU 401 CO 0.01 0.69 0.40 -0.22 -0.73 0.00 0.00 179.01 179.15 2dkd h LYS 402 N 1.07 0.88 -0.31 1.92 1.63 -1.13 -1.44 116.57 119.18 2dkd h LYS 402 Ca 0.35 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.95 2dkd h LYS 402 Cb 0.05 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2dkd h LYS 402 CO -0.11 0.62 -0.30 0.87 -3.45 0.00 0.00 179.45 177.08 2dkd h LYS 403 N 0.88 0.66 -0.69 1.90 1.57 -0.71 -1.32 116.57 118.87 2dkd h LYS 403 Ca 0.23 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2dkd h LYS 403 Cb -0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2dkd h LYS 403 CO -0.04 0.88 0.31 0.82 -0.57 0.00 0.00 179.45 180.85 2dkd h ILE 404 N 0.57 1.24 0.00 1.86 2.04 -0.71 -1.17 117.51 121.33 2dkd h ILE 404 Ca 0.07 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2dkd h ILE 404 Cb 0.80 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2dkd h ILE 404 CO 0.07 0.28 -0.05 -0.26 0.00 0.00 0.00 178.15 178.19 2dkd h PHE 405 N 0.97 0.00 -0.00 1.37 -1.00 -1.07 -3.15 116.94 114.06 2dkd h PHE 405 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 2dkd h PHE 405 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2dkd h PHE 405 CO 0.01 0.05 -0.49 -0.25 -1.61 0.00 0.00 178.31 176.02 2dkd n ASP 406 N -3.12 0.65 -4.70 2.17 9.92 -0.51 -4.93 116.55 116.02 2dkd n ASP 406 Ca 0.03 -0.43 -0.42 0.00 -0.53 0.00 0.00 54.79 53.43 2dkd n ASP 406 Cb 0.49 0.29 -0.03 0.00 -0.64 0.00 0.00 41.12 41.22 2dkd n ASP 406 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2dkd s TYR 407 N -2.91 2.32 -0.39 1.24 6.14 -0.48 -4.98 117.35 118.30 2dkd s TYR 407 Ca 0.13 0.07 -0.10 0.00 0.64 0.00 0.00 57.07 57.81 2dkd s TYR 407 Cb 0.18 -4.16 0.05 0.00 0.42 0.00 0.00 41.96 38.44 2dkd s TYR 407 CO 0.68 -4.72 0.23 -1.59 0.64 0.00 0.00 175.55 170.79 2dkd s LYS 408 N 2.38 2.75 0.43 4.97 0.00 -1.26 -5.07 119.74 123.94 2dkd s LYS 408 Ca 0.79 -1.21 -0.25 0.00 0.00 0.00 0.00 55.97 55.30 2dkd s LYS 408 Cb -0.47 -3.75 -0.08 0.00 0.00 0.00 0.00 37.83 33.53 2dkd s LYS 408 CO 0.35 -0.79 1.33 -1.25 0.00 0.00 0.00 175.35 175.00 2dkd s PRO 409 N 1.51 3.81 -0.05 1.78 0.04 -1.26 -4.97 135.00 135.86 2dkd s PRO 409 Ca 0.02 2.21 0.17 0.00 0.04 0.00 0.00 61.00 63.44 2dkd s PRO 409 Cb -0.21 -2.67 -0.21 0.00 0.04 0.00 0.00 34.50 31.45 2dkd s PRO 409 CO 0.05 -0.64 0.51 0.09 0.04 0.00 0.00 177.00 177.06 2dkd n ASN 410 N -0.08 0.50 -4.07 6.66 3.02 -1.26 -4.92 115.26 115.11 2dkd n ASN 410 Ca 0.05 0.23 -0.10 0.00 -0.03 0.00 0.00 54.58 54.73 2dkd n ASN 410 Cb 0.43 0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 40.08 2dkd n ASN 410 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dkd s ASN 411 N -5.62 0.18 0.38 6.41 4.22 -1.26 -5.05 114.94 114.20 2dkd s ASN 411 Ca -0.06 -1.06 0.13 0.00 -2.14 0.00 0.00 52.86 49.73 2dkd s ASN 411 Cb 0.08 0.37 0.96 0.00 1.28 0.00 0.00 41.25 43.93 2dkd s ASN 411 CO 0.83 -0.81 1.85 0.44 -2.04 0.00 0.00 177.10 177.37 2dkd h ASP 412 N 2.71 0.53 -0.28 3.54 3.45 -1.98 0.90 116.42 125.29 2dkd h ASP 412 Ca -0.33 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.12 2dkd h ASP 412 Cb 1.21 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 2dkd h ASP 412 CO 0.54 0.23 -0.02 0.78 -1.57 0.00 0.00 179.24 179.19 2dkd h ASN 413 N 0.54 0.50 -0.15 6.45 4.21 -1.96 0.21 115.58 125.38 2dkd h ASN 413 Ca 0.47 -0.33 -0.12 0.00 1.21 0.00 0.00 56.30 57.53 2dkd h ASN 413 Cb 0.99 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 2dkd h ASN 413 CO -0.21 0.71 -0.32 -0.33 -1.29 0.00 0.00 177.43 176.00 2dkd h GLU 414 N 0.28 0.65 -0.48 0.81 5.08 -1.46 -2.01 114.58 117.45 2dkd h GLU 414 Ca 0.08 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2dkd h GLU 414 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2dkd h GLU 414 CO 0.02 0.88 0.24 0.00 -1.00 0.00 0.00 179.01 179.15 2dkd h ALA 415 N 1.10 0.62 -0.26 3.43 0.00 -0.66 -0.87 119.26 122.62 2dkd h ALA 415 Ca 0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2dkd h ALA 415 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dkd h ALA 415 CO 0.07 0.17 -0.17 0.87 0.00 0.00 0.00 179.25 180.19 2dkd h LYS 416 N 0.64 0.58 0.03 0.00 1.57 -0.83 -2.68 116.57 115.87 2dkd h LYS 416 Ca 0.17 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2dkd h LYS 416 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2dkd h LYS 416 CO -0.02 0.85 -0.01 0.00 -0.57 0.00 0.00 179.45 179.70 2dkd h ALA 417 N 0.71 -0.03 -0.46 3.86 0.00 -1.28 -1.56 119.26 120.50 2dkd h ALA 417 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dkd h ALA 417 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2dkd h ALA 417 CO 0.05 -0.44 0.24 0.97 0.00 0.00 0.00 179.25 180.06 2dkd h ILE 418 N -0.19 1.15 -0.30 0.00 6.09 -1.23 -0.82 117.51 122.21 2dkd h ILE 418 Ca -0.00 -0.40 -0.14 0.00 -1.37 0.00 0.00 64.86 62.95 2dkd h ILE 418 Cb 0.17 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 2dkd h ILE 418 CO 0.01 0.17 -0.38 0.50 -3.07 0.00 0.00 178.15 175.38 2dkd h LYS 419 N 0.64 0.71 -0.44 2.19 3.64 -1.31 -0.70 116.57 121.30 2dkd h LYS 419 Ca 0.16 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2dkd h LYS 419 Cb 0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2dkd h LYS 419 CO -0.03 0.97 0.14 0.28 -2.27 0.00 0.00 179.45 178.55 2dkd h VAL 420 N 0.59 1.22 -0.47 2.00 2.07 -0.41 -0.87 116.25 120.37 2dkd h VAL 420 Ca 0.05 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2dkd h VAL 420 Cb 0.91 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2dkd h VAL 420 CO 0.08 0.26 0.24 0.25 0.02 0.00 0.00 177.57 178.42 2dkd h LEU 421 N 0.57 0.61 0.07 2.57 5.85 -1.01 0.33 115.31 124.29 2dkd h LEU 421 Ca 0.14 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2dkd h LEU 421 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2dkd h LEU 421 CO -0.01 0.55 -0.12 1.56 -0.34 0.00 0.00 178.44 180.08 2dkd h GLN 422 N 0.62 -0.23 -0.22 1.25 4.20 -0.93 -1.83 115.11 117.97 2dkd h GLN 422 Ca 0.16 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 2dkd h GLN 422 Cb 0.09 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2dkd h GLN 422 CO -0.02 -0.15 0.02 -0.91 -0.67 0.00 0.00 178.83 177.09 2dkd h ASN 423 N -0.24 0.29 0.08 1.46 2.35 -0.94 -1.83 115.58 116.75 2dkd h ASN 423 Ca 0.02 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 2dkd h ASN 423 Cb 0.26 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2dkd h ASN 423 CO -0.07 0.34 -0.31 0.15 -1.65 0.00 0.00 177.43 175.89 2dkd h PHE 424 N 0.32 0.39 0.00 1.19 3.57 -0.47 0.02 116.94 121.96 2dkd h PHE 424 Ca 0.08 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2dkd h PHE 424 Cb 0.19 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2dkd h PHE 424 CO 0.00 0.62 -0.05 0.66 -2.23 0.00 0.00 178.31 177.31 2dkd h SER 425 N 0.30 0.00 0.38 0.41 4.64 -0.50 -2.02 113.55 116.76 2dkd h SER 425 Ca 0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 2dkd h SER 425 Cb 0.69 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 2dkd h SER 425 CO 0.05 0.05 -1.81 0.00 -0.87 0.00 0.00 176.83 174.26 2dkd n GLN 426 N -3.22 0.65 -0.03 4.77 1.13 -0.68 -4.44 117.38 115.56 2dkd n GLN 426 Ca -0.00 0.12 -0.16 0.00 -1.94 0.00 0.00 57.00 55.02 2dkd n GLN 426 Cb 0.28 -1.69 -0.13 0.00 0.11 0.00 0.00 30.24 28.81 2dkd n GLN 426 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dkd h LEU 427 N 0.00 0.18 -9.90 1.08 5.85 -0.80 -3.44 115.31 108.29 2dkd h LEU 427 Ca -0.27 -0.90 -0.52 0.00 0.84 0.00 0.00 57.88 57.03 2dkd h LEU 427 Cb 1.77 -0.06 0.06 0.00 0.37 0.00 0.00 40.66 42.81 2dkd h LEU 427 CO 0.04 1.06 0.60 -0.51 -0.34 0.00 0.00 178.44 179.29 2dkd s ILE 428 N -2.63 2.83 -0.87 4.05 1.10 -0.78 -4.85 121.20 120.05 2dkd s ILE 428 Ca -0.17 0.79 -0.22 0.00 -0.51 0.00 0.00 60.65 60.54 2dkd s ILE 428 Cb -0.01 -3.48 0.08 0.00 0.15 0.00 0.00 42.46 39.20 2dkd s ILE 428 CO 0.74 0.15 1.19 0.21 -2.11 0.00 0.00 174.94 175.13 2dkd s ASN 429 N -0.69 6.43 0.28 4.50 3.84 -1.26 -4.87 114.94 123.17 2dkd s ASN 429 Ca 0.52 -1.44 0.23 0.00 0.21 0.00 0.00 52.86 52.39 2dkd s ASN 429 Cb -0.37 -2.47 1.04 0.00 -0.55 0.00 0.00 41.25 38.90 2dkd s ASN 429 CO 0.49 -1.37 1.71 0.00 -2.79 0.00 0.00 177.10 175.13 2dkd n GLN 430 N 7.81 0.19 0.10 0.43 6.02 -1.26 -3.07 117.38 127.60 2dkd n GLN 430 Ca 0.17 0.48 -0.20 0.00 -0.01 0.00 0.00 57.00 57.45 2dkd n GLN 430 Cb 0.49 -1.91 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 2dkd n GLN 430 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2dkd h THR 431 N 0.00 1.36 -2.53 5.09 2.02 -1.90 -3.46 112.91 113.49 2dkd h THR 431 Ca 0.00 -2.66 0.08 0.00 0.77 0.00 0.00 66.41 64.59 2dkd h THR 431 Cb 0.28 2.78 -0.13 0.00 -1.74 0.00 0.00 68.15 69.33 2dkd h THR 431 CO 0.00 0.80 0.40 0.54 0.37 0.00 0.00 175.52 177.62 2dkd s VAL 432 N -2.88 0.00 0.17 3.16 0.11 -1.17 -4.69 120.40 115.10 2dkd s VAL 432 Ca -0.07 -0.09 -0.32 0.00 -2.93 0.00 0.00 61.98 58.56 2dkd s VAL 432 Cb 0.06 -1.12 -0.12 0.00 -1.53 0.00 0.00 36.38 33.67 2dkd s VAL 432 CO 0.91 0.00 1.72 0.61 -3.33 0.00 0.00 175.10 175.01 2dkd n GLY 433 N -0.31 1.47 2.77 6.54 0.00 -1.26 -4.70 105.19 109.70 2dkd n GLY 433 Ca -0.11 0.66 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 2dkd n GLY 433 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dkd s ASP 434 N 1.57 2.21 0.21 1.61 -1.08 -1.25 -4.66 116.67 115.27 2dkd s ASP 434 Ca 0.78 -0.42 -0.08 0.00 -0.52 0.00 0.00 52.55 52.31 2dkd s ASP 434 Cb -0.55 -0.55 0.15 0.00 -1.46 0.00 0.00 42.92 40.52 2dkd s ASP 434 CO 0.35 -0.23 1.78 0.00 0.52 0.00 0.00 175.17 177.59 2dkd h ALA 435 N 8.28 1.02 -0.03 3.66 0.00 -1.59 0.38 119.26 130.98 2dkd h ALA 435 Ca -0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2dkd h ALA 435 Cb 1.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dkd h ALA 435 CO 0.31 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 181.02 2dkd h ILE 436 N 1.15 1.31 -0.43 0.00 2.04 -1.94 -0.34 117.51 119.29 2dkd h ILE 436 Ca 0.26 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2dkd h ILE 436 Cb 0.22 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2dkd h ILE 436 CO -0.02 0.25 0.28 -1.28 0.00 0.00 0.00 178.15 177.38 2dkd h SER 437 N -0.31 0.50 -0.18 1.72 0.87 -1.86 -2.26 113.55 112.02 2dkd h SER 437 Ca 0.01 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2dkd h SER 437 Cb 0.41 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2dkd h SER 437 CO 0.00 0.37 0.09 0.44 -0.53 0.00 0.00 176.83 177.20 2dkd h ASP 438 N 0.58 0.27 -0.08 6.23 3.32 -0.18 -1.43 116.42 125.12 2dkd h ASP 438 Ca 0.16 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2dkd h ASP 438 Cb -0.05 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2dkd h ASP 438 CO -0.03 0.25 -0.13 0.25 -1.72 0.00 0.00 179.24 177.85 2dkd h LEU 439 N 0.31 0.26 -1.29 1.55 5.85 -0.56 -1.16 115.31 120.26 2dkd h LEU 439 Ca 0.08 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2dkd h LEU 439 Cb 0.06 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2dkd h LEU 439 CO -0.01 0.75 0.17 -0.07 -0.34 0.00 0.00 178.44 178.94 2dkd h LEU 440 N -0.22 0.60 0.01 2.25 3.38 -1.21 -0.31 115.31 119.81 2dkd h LEU 440 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dkd h LEU 440 Cb 0.70 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dkd h LEU 440 CO 0.03 0.55 -0.01 0.00 0.09 0.00 0.00 178.44 179.10 2dkd h ALA 441 N 1.54 -0.02 -0.18 1.53 0.00 -1.20 -0.26 119.26 120.68 2dkd h ALA 441 Ca 0.16 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2dkd h ALA 441 Cb 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2dkd h ALA 441 CO -0.01 -0.38 -0.04 0.28 0.00 0.00 0.00 179.25 179.09 2dkd h VAL 442 N -0.28 0.83 -0.38 0.00 2.07 -0.85 0.10 116.25 117.74 2dkd h VAL 442 Ca -0.00 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2dkd h VAL 442 Cb 0.27 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2dkd h VAL 442 CO 0.00 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.69 2dkd h LEU 443 N 0.01 0.21 -0.57 2.57 3.38 -0.95 -0.54 115.31 119.42 2dkd h LEU 443 Ca 0.09 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2dkd h LEU 443 Cb 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2dkd h LEU 443 CO -0.18 0.16 -0.62 -0.29 0.09 0.00 0.00 178.44 177.60 2dkd h ILE 444 N 0.34 1.29 -0.05 1.22 6.09 -0.82 -2.54 117.51 123.04 2dkd h ILE 444 Ca 0.17 -2.24 -0.05 0.00 -1.37 0.00 0.00 64.86 61.37 2dkd h ILE 444 Cb 0.11 2.26 0.00 0.00 0.47 0.00 0.00 36.82 39.67 2dkd h ILE 444 CO -0.15 0.61 -0.14 0.58 -3.07 0.00 0.00 178.15 175.98 2dkd h VAL 445 N 0.00 1.44 0.00 2.19 2.07 -0.37 0.04 116.25 121.62 2dkd h VAL 445 Ca -0.01 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 2dkd h VAL 445 Cb 1.21 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2dkd h VAL 445 CO 0.08 0.42 -0.20 -0.37 0.02 0.00 0.00 177.57 177.52 2dkd h VAL 446 N -0.33 0.63 -0.09 2.57 -1.51 -1.18 0.42 116.25 116.76 2dkd h VAL 446 Ca -0.00 -0.88 -0.07 0.00 -1.23 0.00 0.00 66.70 64.52 2dkd h VAL 446 Cb 0.75 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2dkd h VAL 446 CO 0.03 0.19 -0.21 -0.74 -1.23 0.00 0.00 177.57 175.61 2dkd h HIS 447 N 0.00 0.38 -0.46 5.19 6.17 -1.36 0.13 115.15 125.20 2dkd h HIS 447 Ca -0.00 -0.14 -0.02 0.00 0.71 0.00 0.00 60.37 60.91 2dkd h HIS 447 Cb 0.55 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 2dkd h HIS 447 CO 0.00 0.82 0.19 -0.92 0.71 0.00 0.00 177.93 178.73 2dkd h TYR 448 N -0.17 0.69 -0.00 5.26 3.20 -0.44 -2.44 116.97 123.06 2dkd h TYR 448 Ca -0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2dkd h TYR 448 Cb 0.81 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2dkd h TYR 448 CO 0.11 0.58 -0.00 1.28 -1.64 0.00 0.00 178.16 178.49 2dkd n LEU 449 N -4.60 0.06 -3.74 2.82 4.77 0.09 -4.91 117.00 111.49 2dkd n LEU 449 Ca 0.01 0.08 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 2dkd n LEU 449 Cb 0.15 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2dkd n LEU 449 CO 0.37 0.01 -0.01 0.29 -1.33 0.00 0.00 177.39 176.73 2dkd n LYS 450 N -1.05 -5.23 -4.13 3.23 5.02 -0.55 -4.97 118.16 110.48 2dkd n LYS 450 Ca 0.20 0.63 -0.35 0.00 -2.02 0.00 0.00 58.31 56.77 2dkd n LYS 450 Cb 0.17 -5.30 -0.08 0.00 -0.02 0.00 0.00 35.03 29.80 2dkd n LYS 450 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dkd s LEU 451 N -6.83 3.95 0.37 -0.35 1.43 0.34 -5.03 118.68 112.56 2dkd s LEU 451 Ca 0.18 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2dkd s LEU 451 Cb -0.09 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2dkd s LEU 451 CO 0.81 0.36 0.54 -0.94 0.23 0.00 0.00 176.35 177.35 2dkd s SER 452 N -1.18 6.01 0.27 2.29 1.04 -1.26 -4.72 113.70 116.15 2dkd s SER 452 Ca 0.17 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.70 2dkd s SER 452 Cb -0.12 -1.53 0.56 0.00 0.10 0.00 0.00 66.02 65.04 2dkd s SER 452 CO 0.06 -0.47 1.75 -0.65 0.98 0.00 0.00 173.24 174.92 2dkd h PRO 453 N 0.73 0.58 -0.02 4.02 0.11 -1.97 -1.33 132.00 134.11 2dkd h PRO 453 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2dkd h PRO 453 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2dkd h PRO 453 CO 0.57 0.38 -0.61 0.66 -0.21 0.00 0.00 178.00 178.78 2dkd h SER 454 N 0.59 0.07 -0.38 -2.05 4.64 -1.94 -1.58 113.55 112.90 2dkd h SER 454 Ca 0.48 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 2dkd h SER 454 Cb 0.71 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2dkd h SER 454 CO -0.39 0.67 0.16 0.44 -0.87 0.00 0.00 176.83 176.84 2dkd h ASP 455 N 0.05 0.52 0.47 4.97 3.32 -1.65 0.09 116.42 124.18 2dkd h ASP 455 Ca -0.01 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 2dkd h ASP 455 Cb 1.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2dkd h ASP 455 CO 0.08 0.53 -0.22 -0.25 -1.72 0.00 0.00 179.24 177.66 2dkd h TRP 456 N 0.47 -0.58 -0.14 4.55 7.01 -1.23 -2.73 115.95 123.30 2dkd h TRP 456 Ca 0.13 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.15 2dkd h TRP 456 Cb 0.17 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2dkd h TRP 456 CO -0.01 -0.32 0.15 0.22 -2.79 0.00 0.00 178.44 175.69 2dkd h ASP 457 N -0.71 0.00 1.02 2.65 3.58 -1.17 -1.86 116.42 119.92 2dkd h ASP 457 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2dkd h ASP 457 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2dkd h ASP 457 CO 0.11 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.06 2dkd n ASN 458 N -3.89 0.49 -0.22 2.28 3.02 0.01 -3.74 115.26 113.20 2dkd n ASN 458 Ca 0.01 0.58 0.13 0.00 -0.03 0.00 0.00 54.58 55.26 2dkd n ASN 458 Cb 0.26 -0.70 0.43 0.00 -0.61 0.00 0.00 39.78 39.17 2dkd n ASN 458 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dkd h GLU 459 N 0.00 0.56 -2.98 3.52 4.39 -1.32 -3.44 114.58 115.31 2dkd h GLU 459 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2dkd h GLU 459 Cb 0.51 -0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 28.92 2dkd h GLU 459 CO 0.00 0.37 0.22 1.52 -1.16 0.00 0.00 179.01 179.96 2dkd s TYR 460 N -5.56 -0.47 -0.17 4.33 -0.85 -1.25 -5.05 117.35 108.33 2dkd s TYR 460 Ca -0.09 0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.68 2dkd s TYR 460 Cb 0.21 0.59 0.01 0.00 0.38 0.00 0.00 41.96 43.15 2dkd s TYR 460 CO 0.78 -0.91 -0.18 0.99 -1.52 0.00 0.00 175.55 174.70 2dkd s THR 461 N -3.76 2.27 0.64 -3.49 2.01 -1.26 -4.94 115.64 107.10 2dkd s THR 461 Ca 0.03 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 2dkd s THR 461 Cb -0.02 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2dkd s THR 461 CO -0.09 0.53 0.96 0.47 -0.69 0.00 0.00 174.62 175.80 2dkd n ASP 462 N 4.46 0.69 -4.84 3.53 8.00 -1.26 -4.74 116.55 122.39 2dkd n ASP 462 Ca -0.20 0.77 -0.35 0.00 0.71 0.00 0.00 54.79 55.71 2dkd n ASP 462 Cb 0.51 -1.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.15 2dkd n ASP 462 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dkd s LEU 463 N -2.32 4.33 0.27 0.64 1.43 -1.26 -4.99 118.68 116.77 2dkd s LEU 463 Ca 0.76 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 2dkd s LEU 463 Cb -0.40 -3.34 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 2dkd s LEU 463 CO 0.47 0.08 1.13 -2.65 0.23 0.00 0.00 176.35 175.61 2dkd n PRO 464 N 0.76 1.51 -3.87 1.29 -0.02 -1.13 -4.78 135.00 128.77 2dkd n PRO 464 Ca -0.05 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 2dkd n PRO 464 Cb 0.52 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 2dkd n PRO 464 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dkd s ASN 465 N -0.32 0.07 -0.08 2.55 2.20 -1.26 -2.02 114.94 116.07 2dkd s ASN 465 Ca 0.62 -0.37 -0.04 0.00 -0.94 0.00 0.00 52.86 52.12 2dkd s ASN 465 Cb -0.70 0.26 0.03 0.00 -2.00 0.00 0.00 41.25 38.84 2dkd s ASN 465 CO 0.58 -0.50 0.18 -0.75 -2.94 0.00 0.00 177.10 173.66 2dkd s LYS 466 N -2.31 0.15 -0.12 3.55 2.20 -0.05 -5.00 119.74 118.17 2dkd s LYS 466 Ca -0.07 0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2dkd s LYS 466 Cb -0.02 -0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2dkd s LYS 466 CO -0.03 -0.12 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.47 2dkd s LEU 467 N 0.87 1.99 0.28 5.43 2.96 -1.26 -1.86 118.68 127.09 2dkd s LEU 467 Ca -0.06 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2dkd s LEU 467 Cb -0.08 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2dkd s LEU 467 CO -0.05 0.09 0.17 0.68 -1.32 0.00 0.00 176.35 175.92 2dkd s VAL 468 N 0.70 0.21 0.05 1.68 -7.23 -0.70 -5.01 120.40 110.10 2dkd s VAL 468 Ca -0.11 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2dkd s VAL 468 Cb -0.16 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 2dkd s VAL 468 CO 0.02 0.00 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.16 2dkd s LYS 469 N -3.84 0.57 -0.06 4.82 -2.85 -1.26 -0.69 119.74 116.43 2dkd s LYS 469 Ca 0.37 -0.98 0.02 0.00 -1.00 0.00 0.00 55.97 54.38 2dkd s LYS 469 Cb 0.05 -0.05 0.02 0.00 -2.06 0.00 0.00 37.83 35.78 2dkd s LYS 469 CO 0.18 -0.03 -0.10 0.08 0.10 0.00 0.00 175.35 175.58 2dkd s VAL 470 N -2.58 0.99 -0.32 1.79 1.01 0.12 -4.93 120.40 116.47 2dkd s VAL 470 Ca -0.02 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2dkd s VAL 470 Cb -0.02 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2dkd s VAL 470 CO -0.04 0.32 0.57 -0.63 0.00 0.00 0.00 175.10 175.33 2dkd s ILE 471 N 0.76 4.97 0.35 2.22 1.01 -1.26 -0.52 121.20 128.73 2dkd s ILE 471 Ca -0.13 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.23 2dkd s ILE 471 Cb -0.15 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2dkd s ILE 471 CO 0.02 -0.17 -0.08 0.68 0.00 0.00 0.00 174.94 175.40 2dkd s VAL 472 N 2.51 2.28 0.22 2.92 -7.23 -1.26 -5.03 120.40 114.81 2dkd s VAL 472 Ca 0.22 -2.17 0.26 0.00 -1.81 0.00 0.00 61.98 58.47 2dkd s VAL 472 Cb -0.15 -2.68 0.26 0.00 0.56 0.00 0.00 36.38 34.37 2dkd s VAL 472 CO 0.13 -0.19 1.91 1.55 -0.31 0.00 0.00 175.10 178.18 2dkd h PRO 473 N 1.99 0.00 -1.71 4.82 0.13 -1.97 -3.40 132.00 131.85 2dkd h PRO 473 Ca -0.42 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 2dkd h PRO 473 Cb 1.25 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 2dkd h PRO 473 CO 0.70 0.19 -0.63 0.34 -0.23 0.00 0.00 178.00 178.37 2dkd s ASP 474 N -6.15 0.49 0.00 1.44 -1.08 -1.26 -4.98 116.67 105.13 2dkd s ASP 474 Ca -0.00 -1.40 0.23 0.00 -0.52 0.00 0.00 52.55 50.86 2dkd s ASP 474 Cb 0.11 0.91 1.40 0.00 -1.46 0.00 0.00 42.92 43.88 2dkd s ASP 474 CO 0.62 -0.23 1.82 -2.11 0.52 0.00 0.00 175.17 175.78 2dkd n ARG 475 N 4.26 0.86 0.19 4.34 -4.01 -1.26 -2.98 116.66 118.06 2dkd n ARG 475 Ca 0.11 0.00 0.13 0.00 -1.04 0.00 0.00 57.85 57.05 2dkd n ARG 475 Cb 0.48 -1.43 0.32 0.00 -3.04 0.00 0.00 32.46 28.79 2dkd n ARG 475 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 2dkd h SER 476 N 0.00 0.00 0.94 2.89 4.64 -1.98 -3.09 113.55 116.95 2dkd h SER 476 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dkd h SER 476 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dkd h SER 476 CO 0.00 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.12 2dkd h ILE 477 N 0.00 0.00 -3.25 0.95 3.07 -1.90 -3.40 117.51 112.97 2dkd h ILE 477 Ca 0.00 -0.45 -0.59 0.00 1.55 0.00 0.00 64.86 65.37 2dkd h ILE 477 Cb 0.83 1.41 -0.11 0.00 -0.27 0.00 0.00 36.82 38.68 2dkd h ILE 477 CO 0.00 0.00 0.68 -0.36 -1.05 0.00 0.00 178.15 177.42 2dkd s PHE 478 N -3.63 2.75 -0.08 0.16 0.40 -1.17 -3.30 117.98 113.12 2dkd s PHE 478 Ca 0.01 0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.53 2dkd s PHE 478 Cb 0.09 -4.19 -0.01 0.00 0.51 0.00 0.00 43.02 39.42 2dkd s PHE 478 CO 0.51 -1.39 -0.21 0.15 0.70 0.00 0.00 175.22 174.99 2dkd s LYS 479 N 4.21 2.81 0.48 0.44 1.02 -0.26 -4.60 119.74 123.83 2dkd s LYS 479 Ca 0.35 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.54 2dkd s LYS 479 Cb -0.11 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2dkd s LYS 479 CO 0.22 0.35 0.01 0.95 -0.92 0.00 0.00 175.35 175.95 2dkd s THR 480 N -0.06 1.40 0.37 2.17 -4.23 -1.26 0.84 115.64 114.87 2dkd s THR 480 Ca -0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 2dkd s THR 480 Cb -0.14 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.32 2dkd s THR 480 CO 0.05 0.00 0.70 0.28 -0.54 0.00 0.00 174.62 175.10 2dkd s THR 481 N -2.84 0.00 -1.15 3.99 -1.32 0.05 -4.79 115.64 109.57 2dkd s THR 481 Ca 0.15 -1.17 -0.05 0.00 -1.21 0.00 0.00 61.69 59.41 2dkd s THR 481 Cb 0.04 -2.77 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 2dkd s THR 481 CO 0.08 0.00 0.88 -3.20 -2.21 0.00 0.00 174.62 170.16 2dkd n ASN 482 N -1.36 -4.16 -3.48 8.08 4.05 -1.26 -1.72 115.26 115.41 2dkd n ASN 482 Ca -0.06 -0.75 -0.25 0.00 0.45 0.00 0.00 54.58 53.97 2dkd n ASN 482 Cb 0.60 -4.69 0.06 0.00 1.23 0.00 0.00 39.78 36.98 2dkd n ASN 482 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dkd n ALA 483 N -3.81 -1.20 -0.94 5.20 0.00 -1.26 -2.01 120.51 116.48 2dkd n ALA 483 Ca -0.18 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2dkd n ALA 483 Cb 0.64 -4.82 0.00 0.00 0.00 0.00 0.00 19.45 15.27 2dkd n ALA 483 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dkd n GLU 484 N -4.65 -0.98 0.03 0.00 1.02 -0.99 -4.41 120.64 110.67 2dkd n GLU 484 Ca -0.02 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 2dkd n GLU 484 Cb 0.57 -4.12 0.29 0.00 -0.02 0.00 0.00 31.44 28.16 2dkd n GLU 484 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dkd n ARG 485 N -0.85 0.12 -4.08 3.49 1.74 -0.85 -4.71 116.66 111.53 2dkd n ARG 485 Ca 0.00 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 2dkd n ARG 485 Cb 0.25 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 29.94 2dkd n ARG 485 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dkd s THR 486 N -3.07 1.90 -0.40 0.55 2.01 -0.70 -4.85 115.64 111.08 2dkd s THR 486 Ca 0.10 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.89 2dkd s THR 486 Cb 0.16 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.89 2dkd s THR 486 CO 0.68 0.42 0.95 -0.22 -0.69 0.00 0.00 174.62 175.75 2dkd s LEU 487 N 1.33 3.97 0.03 4.42 2.96 -1.26 -0.77 118.68 129.35 2dkd s LEU 487 Ca 0.03 0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 54.25 2dkd s LEU 487 Cb -0.14 -3.27 -0.35 0.00 0.50 0.00 0.00 46.19 42.93 2dkd s LEU 487 CO -0.11 -0.94 0.99 0.58 -1.32 0.00 0.00 176.35 175.55 2dkd h VAL 488 N 5.92 1.28 -3.90 1.68 2.07 0.13 -3.39 116.25 120.05 2dkd h VAL 488 Ca -0.23 -2.73 -0.22 0.00 0.82 0.00 0.00 66.70 64.34 2dkd h VAL 488 Cb 1.08 3.02 -0.24 0.00 -1.52 0.00 0.00 31.29 33.63 2dkd h VAL 488 CO 1.01 0.82 -0.72 -1.61 0.02 0.00 0.00 177.57 177.09 2dkd s GLU 489 N -2.60 0.28 0.42 1.57 2.02 -0.92 -3.92 118.70 115.55 2dkd s GLU 489 Ca -0.09 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.22 2dkd s GLU 489 Cb 0.04 -0.05 -0.08 0.00 0.10 0.00 0.00 34.13 34.14 2dkd s GLU 489 CO 0.94 -0.00 1.31 -1.25 0.02 0.00 0.00 175.26 176.28 2dkd s PRO 490 N -0.95 3.87 0.58 0.39 0.04 -1.21 -1.11 135.00 136.62 2dkd s PRO 490 Ca -0.09 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.93 2dkd s PRO 490 Cb -0.06 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 2dkd s PRO 490 CO -0.00 -0.58 0.98 1.63 0.04 0.00 0.00 177.00 179.06 2dkd n LYS 491 N -0.02 0.98 0.00 4.56 4.76 -1.25 -2.58 118.16 124.60 2dkd n LYS 491 Ca 0.04 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2dkd n LYS 491 Cb 0.44 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 2dkd n LYS 491 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dkd n GLY 492 N 1.26 2.87 0.29 0.72 0.00 -1.26 -4.85 105.19 104.22 2dkd n GLY 492 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2dkd n GLY 492 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2dkd h MET 493 N 0.78 1.00 -0.26 1.61 -1.53 -1.84 -2.66 114.93 112.02 2dkd h MET 493 Ca 0.00 -0.38 -0.05 0.00 -3.44 0.00 0.00 59.70 55.83 2dkd h MET 493 Cb 0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 2dkd h MET 493 CO 0.00 1.06 -0.07 0.37 0.14 0.00 0.00 176.91 178.41 2dkd h GLN 494 N 0.88 0.41 -0.87 0.39 5.75 -1.79 -0.61 115.11 119.28 2dkd h GLN 494 Ca 0.13 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2dkd h GLN 494 Cb 0.70 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 2dkd h GLN 494 CO 0.05 0.50 0.44 -0.44 -2.65 0.00 0.00 178.83 176.73 2dkd h ASP 495 N 0.39 1.12 -0.28 -0.69 3.45 -1.86 0.00 116.42 118.56 2dkd h ASP 495 Ca 0.08 -0.12 -0.13 0.00 0.43 0.00 0.00 57.03 57.29 2dkd h ASP 495 Cb 0.37 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2dkd h ASP 495 CO 0.02 0.93 -0.30 -0.33 -1.57 0.00 0.00 179.24 177.98 2dkd h GLU 496 N 1.23 0.79 -0.40 3.56 4.39 -1.00 -2.42 114.58 120.73 2dkd h GLU 496 Ca 0.30 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2dkd h GLU 496 Cb 0.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2dkd h GLU 496 CO -0.04 0.99 0.05 0.82 -1.16 0.00 0.00 179.01 179.67 2dkd h ILE 497 N 0.67 1.25 -0.86 3.13 2.04 -0.71 -2.44 117.51 120.59 2dkd h ILE 497 Ca 0.08 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.10 2dkd h ILE 497 Cb 0.84 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 2dkd h ILE 497 CO 0.07 0.31 0.53 0.44 0.00 0.00 0.00 178.15 179.50 2dkd h ASP 498 N 0.52 0.84 -0.63 1.72 3.45 -0.87 0.61 116.42 122.05 2dkd h ASP 498 Ca 0.12 0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.53 2dkd h ASP 498 Cb 0.39 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.98 2dkd h ASP 498 CO 0.01 0.54 0.14 0.11 -1.57 0.00 0.00 179.24 178.46 2dkd h LYS 499 N 0.97 1.04 -0.21 3.56 1.57 -1.24 -1.41 116.57 120.85 2dkd h LYS 499 Ca 0.37 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2dkd h LYS 499 Cb 0.16 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2dkd h LYS 499 CO -0.17 0.94 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.42 2dkd h LEU 500 N 0.99 0.51 -1.01 2.94 3.38 -0.87 -3.20 115.31 118.05 2dkd h LEU 500 Ca 0.20 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2dkd h LEU 500 Cb 0.38 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2dkd h LEU 500 CO 0.01 0.85 0.64 0.58 0.09 0.00 0.00 178.44 180.61 2dkd h VAL 501 N 0.17 1.26 0.00 1.22 2.07 -0.73 -2.47 116.25 117.77 2dkd h VAL 501 Ca 0.04 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2dkd h VAL 501 Cb 0.69 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2dkd h VAL 501 CO 0.04 0.25 -0.02 0.00 0.02 0.00 0.00 177.57 177.86 2dkd h ALA 502 N 1.36 1.33 0.00 1.67 0.00 -1.25 -1.83 119.26 120.54 2dkd h ALA 502 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dkd h ALA 502 Cb -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2dkd h ALA 502 CO -0.08 0.03 0.00 1.96 0.00 0.00 0.00 179.25 181.16 2dkd h GLN 503 N 0.00 0.00 -6.15 0.00 4.20 -1.47 -3.44 115.11 108.26 2dkd h GLN 503 Ca -0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 2dkd h GLN 503 Cb 0.08 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.56 2dkd h GLN 503 CO 0.00 0.00 -0.87 0.71 -0.67 0.00 0.00 178.83 178.00 2dkd s TYR 504 N -3.65 2.10 0.30 2.96 1.51 -0.69 -5.10 117.35 114.79 2dkd s TYR 504 Ca 0.01 -0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 55.32 2dkd s TYR 504 Cb 0.09 -1.36 -0.10 0.00 -0.11 0.00 0.00 41.96 40.48 2dkd s TYR 504 CO 0.50 -0.08 1.35 -2.14 -1.11 0.00 0.00 175.55 174.07 2dkd s PRO 505 N -0.42 4.32 0.00 -1.71 0.02 -1.26 -1.77 135.00 134.18 2dkd s PRO 505 Ca 0.05 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2dkd s PRO 505 Cb -0.10 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2dkd s PRO 505 CO 0.00 -0.27 0.00 0.09 -0.33 0.00 0.00 177.00 176.49 2dkd n ASN 506 N 1.32 -4.98 -4.77 2.53 5.03 -1.26 -1.29 115.26 111.84 2dkd n ASN 506 Ca 0.02 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.06 2dkd n ASN 506 Cb 0.41 -2.68 -0.01 0.00 -1.02 0.00 0.00 39.78 36.48 2dkd n ASN 506 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2dkd s GLY 507 N -2.00 2.92 -0.28 7.41 0.00 -0.73 -4.07 107.32 110.56 2dkd s GLY 507 Ca 0.00 1.45 -0.17 0.00 0.00 0.00 0.00 44.72 46.00 2dkd s GLY 507 CO 0.00 2.15 0.75 -1.60 0.00 0.00 0.00 173.10 174.40 2dkd s ARG 508 N -1.88 0.66 -0.14 2.90 3.52 -0.60 -4.92 118.95 118.49 2dkd s ARG 508 Ca 0.52 1.10 -0.20 0.00 -0.13 0.00 0.00 55.73 57.01 2dkd s ARG 508 Cb -0.44 0.15 0.05 0.00 -1.56 0.00 0.00 34.95 33.15 2dkd s ARG 508 CO 0.58 -0.13 0.52 0.45 -0.81 0.00 0.00 175.30 175.91 2dkd s SER 509 N 1.46 -0.51 0.01 -2.12 0.15 -1.26 -0.68 113.70 110.74 2dkd s SER 509 Ca -0.09 0.84 -0.10 0.00 0.70 0.00 0.00 55.95 57.30 2dkd s SER 509 Cb -0.05 0.86 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 2dkd s SER 509 CO -0.17 -0.31 0.21 0.72 1.20 0.00 0.00 173.24 174.89 2dkd s PHE 510 N -0.26 -0.03 -0.09 3.44 -0.12 -0.82 -4.99 117.98 115.11 2dkd s PHE 510 Ca -0.04 -0.03 0.03 0.00 -0.05 0.00 0.00 56.93 56.84 2dkd s PHE 510 Cb -0.03 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 2dkd s PHE 510 CO 0.03 -0.36 -0.19 0.08 -0.05 0.00 0.00 175.22 174.73 2dkd s VAL 511 N -1.65 2.56 -0.08 -2.49 1.01 -1.26 -2.22 120.40 116.27 2dkd s VAL 511 Ca -0.12 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2dkd s VAL 511 Cb -0.05 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2dkd s VAL 511 CO 0.01 0.56 0.38 0.00 0.00 0.00 0.00 175.10 176.05 2dkd s ARG 512 N -0.03 0.60 0.37 2.72 1.70 -0.75 -4.78 118.95 118.78 2dkd s ARG 512 Ca -0.05 0.19 -0.26 0.00 -0.47 0.00 0.00 55.73 55.14 2dkd s ARG 512 Cb -0.14 0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.42 2dkd s ARG 512 CO 0.05 -0.13 1.12 0.00 -1.08 0.00 0.00 175.30 175.26 2dkd s ALA 513 N -0.60 3.19 0.48 7.88 0.00 -1.26 -0.11 121.76 131.34 2dkd s ALA 513 Ca -0.07 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 2dkd s ALA 513 Cb -0.04 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2dkd s ALA 513 CO 0.03 -0.37 1.01 0.45 0.00 0.00 0.00 175.76 176.88 2dkd s SER 514 N -1.19 6.47 0.00 0.00 0.15 0.15 -4.81 113.70 114.47 2dkd s SER 514 Ca 0.55 1.84 0.17 0.00 0.70 0.00 0.00 55.95 59.21 2dkd s SER 514 Cb -0.29 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.55 2dkd s SER 514 CO 0.36 -0.69 0.98 0.61 1.20 0.00 0.00 173.24 175.70 2dkd n GLY 515 N -0.46 0.17 0.00 9.45 0.00 -1.26 -4.48 105.19 108.62 2dkd n GLY 515 Ca 0.09 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.64 2dkd n GLY 515 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dkd n THR 516 N 0.50 0.00 -3.88 2.61 -2.24 -1.26 -4.61 114.28 105.40 2dkd n THR 516 Ca 0.09 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 2dkd n THR 516 Cb 0.40 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 2dkd n THR 516 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2dkd s GLU 517 N -2.32 0.80 -1.31 -0.78 -1.05 -1.26 -5.07 118.70 107.71 2dkd s GLU 517 Ca -0.02 -0.96 -0.17 0.00 -0.15 0.00 0.00 54.97 53.67 2dkd s GLU 517 Cb 0.04 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 2dkd s GLU 517 CO 0.26 -0.24 1.99 -3.47 0.95 0.00 0.00 175.26 174.74 2dkd n ASP 518 N 0.02 4.08 -3.68 0.83 2.03 -1.26 -4.40 116.55 114.18 2dkd n ASP 518 Ca -0.15 -2.84 -0.10 0.00 0.52 0.00 0.00 54.79 52.21 2dkd n ASP 518 Cb 0.62 -1.65 -0.04 0.00 -0.72 0.00 0.00 41.12 39.33 2dkd n ASP 518 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dkd s ALA 519 N 4.42 -0.97 -0.17 -1.67 0.00 -1.26 -4.65 121.76 117.46 2dkd s ALA 519 Ca 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 2dkd s ALA 519 Cb 0.09 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 2dkd s ALA 519 CO 0.01 -0.74 -0.08 0.08 0.00 0.00 0.00 175.76 175.03 2dkd s VAL 520 N -3.84 3.30 -0.01 0.00 1.01 0.32 -0.67 120.40 120.51 2dkd s VAL 520 Ca 0.06 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2dkd s VAL 520 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 2dkd s VAL 520 CO -0.07 0.48 0.50 -0.13 0.00 0.00 0.00 175.10 175.88 2dkd s ARG 521 N 0.85 4.17 -0.18 2.72 0.52 0.84 0.11 118.95 127.97 2dkd s ARG 521 Ca -0.02 0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.76 2dkd s ARG 521 Cb -0.15 -3.30 0.04 0.00 0.52 0.00 0.00 34.95 32.06 2dkd s ARG 521 CO 0.01 0.49 -0.12 0.08 0.02 0.00 0.00 175.30 175.78 2dkd s VAL 522 N -0.52 1.65 0.03 3.52 1.01 0.14 -1.81 120.40 124.42 2dkd s VAL 522 Ca 0.27 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2dkd s VAL 522 Cb -0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2dkd s VAL 522 CO 0.15 0.27 -0.03 -0.47 0.00 0.00 0.00 175.10 175.03 2dkd s TYR 523 N 1.41 2.98 -0.08 5.22 5.04 -0.94 -1.72 117.35 129.26 2dkd s TYR 523 Ca 0.01 0.01 -0.20 0.00 -2.44 0.00 0.00 57.07 54.45 2dkd s TYR 523 Cb -0.15 -1.61 0.04 0.00 0.35 0.00 0.00 41.96 40.59 2dkd s TYR 523 CO -0.09 0.44 0.47 0.00 -1.34 0.00 0.00 175.55 175.02 2dkd s ALA 524 N -1.11 -1.19 0.03 3.97 0.00 -0.78 -1.95 121.76 120.73 2dkd s ALA 524 Ca 0.20 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 2dkd s ALA 524 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2dkd s ALA 524 CO 0.11 -0.28 0.12 -1.83 0.00 0.00 0.00 175.76 173.88 2dkd s GLU 525 N -0.81 0.58 0.28 0.00 -1.05 0.14 -0.87 118.70 116.97 2dkd s GLU 525 Ca -0.09 -0.65 -0.19 0.00 -0.15 0.00 0.00 54.97 53.89 2dkd s GLU 525 Cb -0.03 0.23 0.06 0.00 -0.44 0.00 0.00 34.13 33.95 2dkd s GLU 525 CO 0.05 -0.15 0.90 0.00 0.95 0.00 0.00 175.26 177.01 2dkd s ALA 526 N -2.31 -1.18 0.31 -0.84 0.00 -0.86 -1.56 121.76 115.31 2dkd s ALA 526 Ca -0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 2dkd s ALA 526 Cb -0.03 0.72 0.48 0.00 0.00 0.00 0.00 23.12 24.29 2dkd s ALA 526 CO -0.03 -1.03 1.92 0.38 0.00 0.00 0.00 175.76 177.01 2dkd h ASP 527 N 2.00 0.82 -3.62 0.00 2.03 -1.43 -2.98 116.42 113.23 2dkd h ASP 527 Ca -0.29 -0.07 -0.39 0.00 -0.73 0.00 0.00 57.03 55.55 2dkd h ASP 527 Cb 1.24 -0.21 -0.15 0.00 -0.83 0.00 0.00 39.33 39.38 2dkd h ASP 527 CO 0.37 0.67 -0.72 0.42 -1.03 0.00 0.00 179.24 178.94 2dkd s THR 528 N -5.58 1.43 0.16 1.15 -4.23 -1.26 -4.53 115.64 102.78 2dkd s THR 528 Ca -0.10 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.13 2dkd s THR 528 Cb 0.17 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2dkd s THR 528 CO 0.79 -0.67 1.82 -0.61 -0.54 0.00 0.00 174.62 175.41 2dkd h GLN 529 N 2.71 0.55 -0.30 3.99 5.75 -1.91 -1.16 115.11 124.74 2dkd h GLN 529 Ca -0.37 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.16 2dkd h GLN 529 Cb 1.20 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.57 2dkd h GLN 529 CO 0.62 0.36 -0.11 -0.91 -2.65 0.00 0.00 178.83 176.14 2dkd h ASN 530 N 0.56 -0.40 -0.47 -0.69 4.21 -1.99 -1.89 115.58 114.92 2dkd h ASN 530 Ca 0.15 0.10 -0.05 0.00 1.21 0.00 0.00 56.30 57.72 2dkd h ASN 530 Cb -0.06 0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2dkd h ASN 530 CO -0.03 -0.15 0.09 0.78 -1.29 0.00 0.00 177.43 176.83 2dkd h ASN 531 N -0.06 0.73 0.00 5.81 2.35 -1.88 -2.55 115.58 119.99 2dkd h ASN 531 Ca 0.15 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 2dkd h ASN 531 Cb 0.29 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2dkd h ASN 531 CO -0.34 0.79 -0.14 1.62 -1.65 0.00 0.00 177.43 177.71 2dkd h VAL 532 N 0.64 1.19 -0.20 2.81 3.04 -0.99 0.19 116.25 122.94 2dkd h VAL 532 Ca 0.15 -0.86 -0.13 0.00 -1.01 0.00 0.00 66.70 64.85 2dkd h VAL 532 Cb 0.36 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 2dkd h VAL 532 CO 0.01 0.27 -0.44 -0.33 -1.01 0.00 0.00 177.57 176.06 2dkd h GLU 533 N 0.27 0.48 -0.15 4.17 5.08 -1.21 0.43 114.58 123.65 2dkd h GLU 533 Ca 0.05 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 2dkd h GLU 533 Cb 0.41 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2dkd h GLU 533 CO 0.02 0.83 -0.55 1.49 -1.00 0.00 0.00 179.01 179.81 2dkd h GLU 534 N 0.39 0.64 -0.31 2.33 4.81 -0.98 -2.10 114.58 119.37 2dkd h GLU 534 Ca 0.03 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2dkd h GLU 534 Cb 0.93 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2dkd h GLU 534 CO 0.08 1.10 -0.12 1.25 -0.73 0.00 0.00 179.01 180.59 2dkd h LEU 535 N 0.30 0.64 0.04 1.64 5.85 -0.50 -1.22 115.31 122.07 2dkd h LEU 535 Ca -0.03 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2dkd h LEU 535 Cb 1.18 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2dkd h LEU 535 CO 0.12 0.89 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.75 2dkd h SER 536 N 0.39 -0.21 -0.02 1.25 0.87 -0.17 -1.06 113.55 114.60 2dkd h SER 536 Ca 0.07 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2dkd h SER 536 Cb 0.64 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2dkd h SER 536 CO 0.04 -0.11 0.01 0.50 -0.53 0.00 0.00 176.83 176.74 2dkd h LYS 537 N -0.15 0.02 -0.46 2.24 1.63 -1.38 -1.28 116.57 117.20 2dkd h LYS 537 Ca 0.02 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2dkd h LYS 537 Cb 0.17 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 2dkd h LYS 537 CO -0.05 0.05 0.09 0.00 -3.45 0.00 0.00 179.45 176.10 2dkd h ALA 538 N 0.97 0.50 -0.28 5.00 0.00 -1.04 -1.90 119.26 122.52 2dkd h ALA 538 Ca 0.01 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2dkd h ALA 538 Cb 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dkd h ALA 538 CO -0.00 -0.31 -0.20 0.28 0.00 0.00 0.00 179.25 179.01 2dkd h VAL 539 N 0.23 1.30 0.00 0.00 2.07 -1.11 -3.08 116.25 115.66 2dkd h VAL 539 Ca 0.22 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2dkd h VAL 539 Cb 0.29 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2dkd h VAL 539 CO -0.29 0.43 -0.00 0.77 0.02 0.00 0.00 177.57 178.49 2dkd h SER 540 N 0.36 0.00 0.77 0.57 4.64 -0.93 -0.27 113.55 118.69 2dkd h SER 540 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2dkd h SER 540 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2dkd h SER 540 CO 0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 2dkd n GLU 541 N -4.22 0.04 0.18 4.77 -0.58 -0.74 -2.14 120.64 117.94 2dkd n GLU 541 Ca -0.03 0.18 0.10 0.00 -0.42 0.00 0.00 57.16 56.99 2dkd n GLU 541 Cb 0.09 -1.56 0.11 0.00 -0.57 0.00 0.00 31.44 29.51 2dkd n GLU 541 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dkd h LEU 542 N 0.00 0.00 -8.92 -4.62 3.38 -1.11 -3.44 115.31 100.60 2dkd h LEU 542 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2dkd h LEU 542 Cb 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2dkd h LEU 542 CO 0.00 0.08 0.88 -0.69 0.09 0.00 0.00 178.44 178.79 2dkd s VAL 543 N -3.20 4.41 0.00 1.22 1.01 -0.91 -5.13 120.40 117.79 2dkd s VAL 543 Ca 0.05 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2dkd s VAL 543 Cb 0.06 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2dkd s VAL 543 CO 0.71 -0.56 0.16 0.29 0.00 0.00 0.00 175.10 175.70