#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa n SER 2 N 0.00 0.00 0.24 0.00 7.64 -1.26 -4.80 113.62 115.44 2jpa n SER 2 Ca 0.00 -0.84 0.16 0.00 1.01 0.00 0.00 58.87 59.20 2jpa n SER 2 Cb 0.00 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 63.94 2jpa n SER 2 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2jpa h GLU 3 N 0.00 0.00 -2.13 1.43 9.09 -2.06 -3.37 114.58 117.54 2jpa h GLU 3 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 2jpa h GLU 3 Cb 0.84 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 27.61 2jpa h GLU 3 CO 0.00 0.00 -0.63 0.21 0.05 0.00 0.00 179.01 178.64 2jpa s LYS 4 N -3.66 0.33 -0.43 1.06 2.20 -1.26 -5.09 119.74 112.88 2jpa s LYS 4 Ca 0.00 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2jpa s LYS 4 Cb 0.09 -0.65 0.16 0.00 -1.51 0.00 0.00 37.83 35.93 2jpa s LYS 4 CO 0.42 -1.03 0.32 -0.98 -0.36 0.00 0.00 175.35 173.72 2jpa s ARG 5 N 2.35 1.04 0.38 4.03 1.70 -1.26 -4.94 118.95 122.25 2jpa s ARG 5 Ca 0.10 -2.07 0.12 0.00 -0.47 0.00 0.00 55.73 53.41 2jpa s ARG 5 Cb -0.14 -1.71 0.92 0.00 -0.57 0.00 0.00 34.95 33.45 2jpa s ARG 5 CO -0.32 -1.32 1.89 -1.35 -1.08 0.00 0.00 175.30 173.12 2jpa h PRO 6 N 6.02 0.56 -4.72 3.89 0.11 -1.89 -3.43 132.00 132.54 2jpa h PRO 6 Ca 0.18 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.01 2jpa h PRO 6 Cb 0.91 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 31.74 2jpa h PRO 6 CO 0.40 0.37 -0.68 -0.06 -0.21 0.00 0.00 178.00 177.81 2jpa s PHE 7 N -5.57 1.03 0.08 0.65 0.40 -0.35 -5.01 117.98 109.21 2jpa s PHE 7 Ca -0.09 -0.96 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2jpa s PHE 7 Cb 0.22 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 2jpa s PHE 7 CO 0.78 -0.17 -0.06 0.00 0.70 0.00 0.00 175.22 176.47 2jpa s MET 8 N -3.87 0.76 0.29 0.44 0.23 -1.26 -0.30 119.30 115.59 2jpa s MET 8 Ca 0.17 -1.24 -0.29 0.00 -1.03 0.00 0.00 55.69 53.29 2jpa s MET 8 Cb 0.05 -0.16 -0.10 0.00 -1.53 0.00 0.00 34.83 33.10 2jpa s MET 8 CO -0.01 -0.02 1.12 0.00 -2.03 0.00 0.00 175.02 174.08 2jpa n ALA 10 N 1.13 2.55 -2.69 0.00 0.00 -1.26 -3.78 120.51 116.46 2jpa n ALA 10 Ca -0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 2jpa n ALA 10 Cb 0.44 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2jpa n ALA 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jpa s TYR 11 N -1.95 3.56 -0.39 0.00 5.04 -1.26 -4.94 117.35 117.41 2jpa s TYR 11 Ca 0.36 1.59 0.24 0.00 -2.44 0.00 0.00 57.07 56.83 2jpa s TYR 11 Cb 0.20 -3.14 1.05 0.00 0.35 0.00 0.00 41.96 40.43 2jpa s TYR 11 CO 0.32 -0.14 1.73 -1.00 -1.34 0.00 0.00 175.55 175.11 2jpa h PRO 12 N 7.00 0.00 -0.00 4.97 0.13 -2.00 -0.44 132.00 141.66 2jpa h PRO 12 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jpa h PRO 12 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jpa h PRO 12 CO 0.82 0.00 -0.12 0.41 -0.23 0.00 0.00 178.00 178.87 2jpa n GLY 13 N -0.20 -0.83 0.51 1.56 0.00 -1.26 -4.67 105.19 100.31 2jpa n GLY 13 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2jpa n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpa n ASN 15 N -1.62 -4.36 -4.84 0.00 4.05 -0.36 -4.97 115.26 103.16 2jpa n ASN 15 Ca 0.00 0.20 -0.28 0.00 0.45 0.00 0.00 54.58 54.96 2jpa n ASN 15 Cb 0.00 -3.77 0.09 0.00 1.23 0.00 0.00 39.78 37.33 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2jpa s LYS 16 N -4.50 1.93 0.17 1.20 1.02 -1.26 -4.61 119.74 113.69 2jpa s LYS 16 Ca 0.00 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 55.91 2jpa s LYS 16 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2jpa s LYS 16 CO 0.00 -1.53 0.32 -0.98 -0.92 0.00 0.00 175.35 172.24 2jpa s ARG 17 N -5.47 3.47 0.18 1.68 1.70 -1.26 0.01 118.95 119.26 2jpa s ARG 17 Ca 0.62 -0.51 -0.01 0.00 -0.47 0.00 0.00 55.73 55.37 2jpa s ARG 17 Cb -0.10 -2.92 -0.04 0.00 -0.57 0.00 0.00 34.95 31.32 2jpa s ARG 17 CO 0.48 0.48 0.12 0.71 -1.08 0.00 0.00 175.30 176.00 2jpa s TYR 18 N -1.78 1.05 0.00 5.89 2.02 0.58 -4.89 117.35 120.23 2jpa s TYR 18 Ca 0.36 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2jpa s TYR 18 Cb -0.11 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 2jpa s TYR 18 CO 0.29 -0.62 0.00 1.19 -1.57 0.00 0.00 175.55 174.84 2jpa n PHE 19 N -0.22 0.00 -3.67 2.71 3.01 -1.26 -1.22 117.46 116.81 2jpa n PHE 19 Ca -0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 2jpa n PHE 19 Cb 0.65 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.00 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2jpa s LYS 20 N -1.88 3.59 0.27 -1.08 3.01 -1.26 -4.77 119.74 117.62 2jpa s LYS 20 Ca 0.00 -0.54 -0.01 0.00 -1.01 0.00 0.00 55.97 54.41 2jpa s LYS 20 Cb 0.00 -3.51 0.58 0.00 -1.01 0.00 0.00 37.83 33.89 2jpa s LYS 20 CO 0.00 -0.28 1.70 1.37 0.51 0.00 0.00 175.35 178.65 2jpa h LEU 21 N 8.32 0.22 -0.23 3.17 -0.00 -1.98 0.16 115.31 124.96 2jpa h LEU 21 Ca -0.35 0.14 -0.06 0.00 -0.00 0.00 0.00 57.88 57.61 2jpa h LEU 21 Cb 1.17 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 2jpa h LEU 21 CO 0.59 0.02 -0.09 -1.28 -0.00 0.00 0.00 178.44 177.67 2jpa h SER 22 N 0.37 0.49 0.21 0.17 0.87 -1.98 0.45 113.55 114.13 2jpa h SER 22 Ca 0.48 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2jpa h SER 22 Cb 0.84 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2jpa h SER 22 CO -0.50 0.77 -0.18 1.12 -0.53 0.00 0.00 176.83 177.51 2jpa h HIS 23 N 0.20 0.00 -0.15 2.24 2.07 -1.59 0.20 115.15 118.12 2jpa h HIS 23 Ca 0.05 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.36 2jpa h HIS 23 Cb 0.58 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.57 2jpa h HIS 23 CO 0.06 0.18 -0.75 1.25 -3.07 0.00 0.00 177.93 175.61 2jpa h LEU 24 N 0.00 0.86 -1.16 6.12 7.12 -0.61 -1.43 115.31 126.21 2jpa h LEU 24 Ca -0.00 -0.55 0.05 0.00 0.13 0.00 0.00 57.88 57.51 2jpa h LEU 24 Cb 0.34 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.16 2jpa h LEU 24 CO 0.02 1.34 0.58 -0.61 -0.13 0.00 0.00 178.44 179.64 2jpa h GLN 25 N 0.51 1.01 -0.14 1.25 4.15 0.82 0.21 115.11 122.92 2jpa h GLN 25 Ca -0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2jpa h GLN 25 Cb 1.36 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2jpa h GLN 25 CO 0.15 0.67 -0.00 0.52 -1.93 0.00 0.00 178.83 178.24 2jpa h MET 26 N 1.05 0.25 -0.90 1.69 2.86 -0.60 -3.12 114.93 116.14 2jpa h MET 26 Ca 0.37 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 2jpa h MET 26 Cb 0.12 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2jpa h MET 26 CO -0.13 0.48 0.58 1.25 1.06 0.00 0.00 176.91 180.15 2jpa h HIS 27 N -0.01 1.07 -0.11 -0.22 -0.00 -0.27 -1.58 115.15 114.03 2jpa h HIS 27 Ca 0.04 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2jpa h HIS 27 Cb 0.37 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2jpa h HIS 27 CO 0.03 0.58 0.08 1.03 -0.00 0.00 0.00 177.93 179.65 2jpa h SER 28 N 1.08 0.02 -0.91 3.26 0.87 -0.59 -1.54 113.55 115.74 2jpa h SER 28 Ca 0.38 -0.00 0.12 0.00 -1.23 0.00 0.00 61.79 61.05 2jpa h SER 28 Cb 0.10 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 2jpa h SER 28 CO -0.15 0.01 0.58 0.03 -0.53 0.00 0.00 176.83 176.78 2jpa h ARG 29 N 0.02 0.81 -1.00 2.24 3.08 -1.23 0.24 114.38 118.54 2jpa h ARG 29 Ca 0.05 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2jpa h ARG 29 Cb 0.17 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 2jpa h ARG 29 CO -0.00 0.54 0.64 -0.22 -1.07 0.00 0.00 179.97 179.85 2jpa h LYS 30 N 0.83 1.07 0.00 0.04 3.11 -1.41 -2.07 116.57 118.14 2jpa h LYS 30 Ca 0.44 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 58.18 2jpa h LYS 30 Cb 0.53 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2jpa h LYS 30 CO -0.20 0.71 -0.26 0.45 -2.81 0.00 0.00 179.45 177.34 2jpa h HIS 31 N 1.10 0.00 -0.08 1.91 3.86 -0.71 -3.27 115.15 117.96 2jpa h HIS 31 Ca 0.46 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.69 2jpa h HIS 31 Cb 0.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 2jpa h HIS 31 CO -0.00 0.14 0.14 1.79 0.86 0.00 0.00 177.93 180.86 2jpa h THR 32 N 0.00 0.28 -0.53 2.45 1.35 -0.49 0.14 112.91 116.12 2jpa h THR 32 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.79 2jpa h THR 32 Cb 1.11 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 2jpa h THR 32 CO 0.02 0.00 0.06 0.61 -0.25 0.00 0.00 175.52 175.96 2jpa n GLY 33 N -1.28 3.51 0.17 5.82 0.00 -1.23 -4.03 105.19 108.15 2jpa n GLY 33 Ca -0.01 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.06 2jpa n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jpa n GLU 34 N 0.07 1.04 -3.52 1.61 1.02 0.49 -4.69 120.64 116.66 2jpa n GLU 34 Ca 0.30 -1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 55.43 2jpa n GLU 34 Cb 1.16 -0.96 -0.08 0.00 -0.02 0.00 0.00 31.44 31.55 2jpa n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jpa s LYS 35 N -1.23 2.65 -1.09 3.49 1.02 0.12 -5.02 119.74 119.68 2jpa s LYS 35 Ca 0.11 -1.60 -0.22 0.00 0.02 0.00 0.00 55.97 54.28 2jpa s LYS 35 Cb 0.10 -3.95 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2jpa s LYS 35 CO 0.01 -1.11 1.66 -1.25 -0.92 0.00 0.00 175.35 173.74 2jpa s PRO 36 N 1.45 3.42 0.82 -1.68 0.04 -1.26 -3.58 135.00 134.22 2jpa s PRO 36 Ca 0.04 -1.23 -0.12 0.00 0.04 0.00 0.00 61.00 59.73 2jpa s PRO 36 Cb -0.25 -5.35 0.09 0.00 0.04 0.00 0.00 34.50 29.02 2jpa s PRO 36 CO 0.02 -2.59 1.11 0.71 0.04 0.00 0.00 177.00 176.29 2jpa s TYR 37 N 6.20 2.78 0.09 0.56 1.51 0.35 -4.84 117.35 124.00 2jpa s TYR 37 Ca 0.54 1.03 0.04 0.00 -1.01 0.00 0.00 57.07 57.68 2jpa s TYR 37 Cb -0.00 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 2jpa s TYR 37 CO -0.01 -1.90 -0.11 1.14 -1.11 0.00 0.00 175.55 173.56 2jpa s GLN 38 N -5.23 0.82 0.45 -0.62 0.00 -1.26 -1.00 119.66 112.81 2jpa s GLN 38 Ca 0.61 -1.07 -0.25 0.00 -0.00 0.00 0.00 55.36 54.66 2jpa s GLN 38 Cb -0.14 -0.61 -0.09 0.00 0.00 0.00 0.00 33.01 32.17 2jpa s GLN 38 CO 0.53 0.11 1.35 0.00 0.00 0.00 0.00 175.29 177.29 2jpa n ASP 40 N -0.10 0.56 -4.77 0.00 5.75 -1.26 -4.84 116.55 111.88 2jpa n ASP 40 Ca 0.06 -0.32 -0.32 0.00 -0.01 0.00 0.00 54.79 54.20 2jpa n ASP 40 Cb 0.41 0.34 0.06 0.00 -1.03 0.00 0.00 41.12 40.90 2jpa n ASP 40 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2jpa s PHE 41 N -3.01 2.65 -1.18 2.11 0.08 -1.26 -4.95 117.98 112.42 2jpa s PHE 41 Ca 0.10 1.54 0.26 0.00 0.12 0.00 0.00 56.93 58.96 2jpa s PHE 41 Cb 0.17 -3.12 0.67 0.00 -0.57 0.00 0.00 43.02 40.17 2jpa s PHE 41 CO 0.72 -1.66 1.52 1.63 -0.10 0.00 0.00 175.22 177.33 2jpa n LYS 42 N -2.68 0.20 -0.43 0.44 4.76 -1.26 -3.65 118.16 115.54 2jpa n LYS 42 Ca 0.10 -0.11 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 2jpa n LYS 42 Cb 0.52 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.49 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2jpa n ASP 43 N -1.31 3.97 -3.97 4.39 5.75 -1.26 -4.98 116.55 119.14 2jpa n ASP 43 Ca 0.07 -2.37 -0.15 0.00 -0.01 0.00 0.00 54.79 52.33 2jpa n ASP 43 Cb 0.33 -0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 39.87 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jpa n GLU 45 N -0.43 0.00 -2.43 0.00 2.13 -1.26 -4.76 120.64 113.88 2jpa n GLU 45 Ca 0.03 -0.94 -0.28 0.00 0.66 0.00 0.00 57.16 56.63 2jpa n GLU 45 Cb 0.65 0.49 0.01 0.00 0.27 0.00 0.00 31.44 32.86 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2jpa s ARG 46 N 0.00 3.31 0.00 5.31 0.52 -1.26 -4.85 118.95 121.98 2jpa s ARG 46 Ca 0.00 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.46 2jpa s ARG 46 Cb 0.00 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 2jpa s ARG 46 CO 0.00 -0.45 -0.13 1.03 0.02 0.00 0.00 175.30 175.77 2jpa s ARG 47 N -4.90 1.00 -0.02 3.54 3.00 -1.26 -0.64 118.95 119.67 2jpa s ARG 47 Ca 0.51 -0.53 0.05 0.00 0.00 0.00 0.00 55.73 55.76 2jpa s ARG 47 Cb -0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 34.95 33.86 2jpa s ARG 47 CO 0.46 0.26 -0.15 -0.06 0.00 0.00 0.00 175.30 175.82 2jpa s PHE 48 N -0.43 1.37 -2.27 -0.53 0.08 -0.17 -4.95 117.98 111.06 2jpa s PHE 48 Ca 0.04 -0.28 0.25 0.00 0.12 0.00 0.00 56.93 57.06 2jpa s PHE 48 Cb -0.06 -0.89 1.08 0.00 -0.57 0.00 0.00 43.02 42.59 2jpa s PHE 48 CO -0.00 -0.04 1.74 -1.13 -0.10 0.00 0.00 175.22 175.69 2jpa n SER 49 N 2.78 1.12 -3.94 1.36 3.41 -1.25 -0.50 113.62 116.60 2jpa n SER 49 Ca -0.15 -1.49 -0.10 0.00 -0.26 0.00 0.00 58.87 56.87 2jpa n SER 49 Cb 0.55 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 2jpa n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jpa s ARG 50 N -1.93 0.31 0.18 4.33 3.52 -1.23 -0.70 118.95 123.43 2jpa s ARG 50 Ca 0.36 -0.46 -0.13 0.00 -0.13 0.00 0.00 55.73 55.37 2jpa s ARG 50 Cb 0.19 0.12 0.10 0.00 -1.56 0.00 0.00 34.95 33.80 2jpa s ARG 50 CO 0.30 -0.06 1.83 0.77 -0.81 0.00 0.00 175.30 177.33 2jpa h SER 51 N 4.77 0.60 -0.51 -2.12 0.02 -1.86 -1.70 113.55 112.75 2jpa h SER 51 Ca -0.31 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 2jpa h SER 51 Cb 1.21 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 2jpa h SER 51 CO 0.42 0.43 0.11 -0.78 -1.14 0.00 0.00 176.83 175.87 2jpa h ASP 52 N 0.72 0.84 -0.10 3.07 3.58 -1.97 0.12 116.42 122.69 2jpa h ASP 52 Ca 0.22 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2jpa h ASP 52 Cb -0.03 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 2jpa h ASP 52 CO -0.07 0.83 0.05 1.56 -2.88 0.00 0.00 179.24 178.73 2jpa h GLN 53 N 0.85 0.14 -0.16 0.28 1.08 -1.85 0.22 115.11 115.67 2jpa h GLN 53 Ca 0.18 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2jpa h GLN 53 Cb 0.35 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2jpa h GLN 53 CO 0.00 0.22 0.08 1.25 -0.95 0.00 0.00 178.83 179.44 2jpa h LEU 54 N 0.03 0.21 -0.88 1.46 5.85 -1.14 0.74 115.31 121.58 2jpa h LEU 54 Ca 0.03 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2jpa h LEU 54 Cb 0.13 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2jpa h LEU 54 CO -0.00 0.27 0.58 0.50 -0.34 0.00 0.00 178.44 179.44 2jpa h LYS 55 N 0.14 1.11 -0.21 1.25 1.63 -0.59 0.29 116.57 120.20 2jpa h LYS 55 Ca 0.06 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2jpa h LYS 55 Cb 0.11 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2jpa h LYS 55 CO -0.01 0.74 0.08 -0.09 -3.45 0.00 0.00 179.45 176.72 2jpa h ARG 56 N 1.15 0.31 -0.74 1.90 2.43 -0.44 -3.09 114.38 115.90 2jpa h ARG 56 Ca 0.34 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2jpa h ARG 56 Cb -0.06 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2jpa h ARG 56 CO -0.09 0.37 0.44 1.25 -1.51 0.00 0.00 179.97 180.42 2jpa h HIS 57 N 0.18 0.96 -0.95 2.20 2.76 0.15 -1.54 115.15 118.90 2jpa h HIS 57 Ca 0.07 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.40 2jpa h HIS 57 Cb 0.17 -0.32 -0.08 0.00 1.55 0.00 0.00 27.41 28.73 2jpa h HIS 57 CO -0.01 0.64 0.60 1.96 -1.30 0.00 0.00 177.93 179.82 2jpa h GLN 58 N 1.01 0.73 -0.53 5.26 4.20 -0.38 -0.05 115.11 125.36 2jpa h GLN 58 Ca 0.26 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.01 2jpa h GLN 58 Cb -0.04 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 2jpa h GLN 58 CO -0.05 0.48 0.36 0.00 -0.67 0.00 0.00 178.83 178.95 2jpa h ARG 59 N 0.75 0.36 -0.49 1.46 3.08 -1.30 -0.22 114.38 118.04 2jpa h ARG 59 Ca 0.50 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.63 2jpa h ARG 59 Cb 0.77 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2jpa h ARG 59 CO -0.26 0.24 0.34 -0.09 -1.07 0.00 0.00 179.97 179.12 2jpa h ARG 60 N 0.38 0.19 0.13 0.04 2.43 -1.10 0.21 114.38 116.66 2jpa h ARG 60 Ca 0.24 -0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 59.03 2jpa h ARG 60 Cb 0.46 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2jpa h ARG 60 CO -0.06 0.12 -1.99 0.72 -1.51 0.00 0.00 179.97 177.26 2jpa n HIS 61 N -4.45 1.28 0.16 2.20 8.25 -0.16 -4.29 115.22 118.22 2jpa n HIS 61 Ca 0.08 0.27 0.04 0.00 -0.26 0.00 0.00 57.72 57.85 2jpa n HIS 61 Cb 0.42 -1.17 0.15 0.00 1.12 0.00 0.00 29.99 30.51 2jpa n HIS 61 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2jpa h THR 62 N 0.07 0.81 0.00 1.59 1.35 -1.07 -3.47 112.91 112.20 2jpa h THR 62 Ca -0.42 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 2jpa h THR 62 Cb 2.04 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.69 2jpa h THR 62 CO 0.09 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2jpa n GLY 63 N 0.88 0.73 3.70 5.82 0.00 0.72 -4.99 105.19 112.04 2jpa n GLY 63 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jpa n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpa s VAL 64 N -2.96 3.15 -0.54 1.61 0.11 -1.24 -4.98 120.40 115.55 2jpa s VAL 64 Ca 0.00 0.69 0.04 0.00 -2.93 0.00 0.00 61.98 59.78 2jpa s VAL 64 Cb 0.00 -3.44 0.17 0.00 -1.53 0.00 0.00 36.38 31.58 2jpa s VAL 64 CO 0.00 0.02 0.41 0.29 -3.33 0.00 0.00 175.10 172.49 2jpa n LYS 65 N 4.97 0.92 0.15 1.54 5.02 -1.26 -4.53 118.16 124.97 2jpa n LYS 65 Ca 0.14 -3.76 0.13 0.00 -2.02 0.00 0.00 58.31 52.80 2jpa n LYS 65 Cb 0.41 -1.94 0.33 0.00 -0.02 0.00 0.00 35.03 33.81 2jpa n LYS 65 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2jpa h PRO 66 N 5.51 0.00 -5.57 1.97 0.13 -1.86 -3.38 132.00 128.80 2jpa h PRO 66 Ca 0.22 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.72 2jpa h PRO 66 Cb 0.84 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.83 2jpa h PRO 66 CO 0.53 0.00 0.79 -0.06 -0.23 0.00 0.00 178.00 179.02 2jpa s PHE 67 N -3.15 2.69 -0.14 1.56 0.08 -0.56 -4.94 117.98 113.51 2jpa s PHE 67 Ca 0.09 -0.69 -0.06 0.00 0.12 0.00 0.00 56.93 56.40 2jpa s PHE 67 Cb 0.10 -4.39 -0.04 0.00 -0.57 0.00 0.00 43.02 38.12 2jpa s PHE 67 CO 0.62 -1.71 0.06 -1.14 -0.10 0.00 0.00 175.22 172.94 2jpa s GLN 68 N 4.13 3.57 0.36 0.44 0.74 -1.26 -0.19 119.66 127.44 2jpa s GLN 68 Ca 0.29 -0.33 -0.28 0.00 0.05 0.00 0.00 55.36 55.09 2jpa s GLN 68 Cb -0.11 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 2jpa s GLN 68 CO 0.05 0.50 1.35 0.00 -0.55 0.00 0.00 175.29 176.64 2jpa h LYS 70 N 3.13 0.00 0.00 0.00 5.09 -1.96 -2.84 116.57 120.00 2jpa h LYS 70 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.24 2jpa h LYS 70 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 2jpa h LYS 70 CO 0.64 0.00 -0.32 2.41 -2.09 0.00 0.00 179.45 180.09 2jpa n THR 71 N -2.92 0.69 1.00 0.07 -1.04 -1.26 -4.66 114.28 106.16 2jpa n THR 71 Ca 0.04 0.35 0.11 0.00 -2.04 0.00 0.00 64.05 62.51 2jpa n THR 71 Cb 0.46 -1.92 0.04 0.00 -1.82 0.00 0.00 70.33 67.09 2jpa n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jpa n GLN 73 N 0.59 -1.43 -1.49 0.00 3.00 -1.07 -4.99 117.38 112.00 2jpa n GLN 73 Ca 0.11 1.13 -0.33 0.00 -0.01 0.00 0.00 57.00 57.90 2jpa n GLN 73 Cb 0.53 -5.53 0.08 0.00 0.00 0.00 0.00 30.24 25.32 2jpa n GLN 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jpa s ARG 74 N -4.04 2.31 -0.06 -1.09 0.52 -1.26 -4.58 118.95 110.74 2jpa s ARG 74 Ca 0.00 1.57 0.05 0.00 -0.52 0.00 0.00 55.73 56.83 2jpa s ARG 74 Cb 0.00 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 2jpa s ARG 74 CO 0.00 -1.67 -0.23 0.15 0.02 0.00 0.00 175.30 173.58 2jpa s LYS 75 N -4.10 2.48 0.21 3.54 1.02 -1.26 -0.00 119.74 121.63 2jpa s LYS 75 Ca 0.70 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.92 2jpa s LYS 75 Cb -0.25 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2jpa s LYS 75 CO 0.45 0.30 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.05 2jpa s PHE 76 N 0.01 1.58 -0.88 3.18 0.08 0.74 -4.98 117.98 117.72 2jpa s PHE 76 Ca -0.07 -0.76 0.08 0.00 0.12 0.00 0.00 56.93 56.30 2jpa s PHE 76 Cb -0.14 -0.85 0.14 0.00 -0.57 0.00 0.00 43.02 41.60 2jpa s PHE 76 CO 0.05 0.14 0.96 0.45 -0.10 0.00 0.00 175.22 176.72 2jpa n SER 77 N -0.38 2.15 -3.83 1.36 2.88 -1.26 -1.50 113.62 113.03 2jpa n SER 77 Ca -0.07 -1.65 -0.19 0.00 -1.33 0.00 0.00 58.87 55.63 2jpa n SER 77 Cb 0.62 -0.08 -0.17 0.00 -0.75 0.00 0.00 64.21 63.84 2jpa n SER 77 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2jpa s ARG 78 N -0.83 0.56 0.45 -1.46 0.52 -1.26 -4.91 118.95 112.01 2jpa s ARG 78 Ca 0.13 0.02 0.12 0.00 -0.52 0.00 0.00 55.73 55.48 2jpa s ARG 78 Cb 0.08 -0.71 1.03 0.00 0.52 0.00 0.00 34.95 35.87 2jpa s ARG 78 CO 0.11 -0.15 2.05 0.66 0.02 0.00 0.00 175.30 177.99 2jpa h SER 79 N 7.46 0.30 -0.55 0.23 4.64 -1.98 -0.76 113.55 122.90 2jpa h SER 79 Ca -0.35 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.86 2jpa h SER 79 Cb 1.14 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2jpa h SER 79 CO 0.42 0.21 -0.06 -0.78 -0.87 0.00 0.00 176.83 175.75 2jpa h ASP 80 N 0.35 0.99 -0.36 4.97 3.58 -1.98 0.17 116.42 124.14 2jpa h ASP 80 Ca 0.16 -0.33 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 2jpa h ASP 80 Cb 0.19 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2jpa h ASP 80 CO -0.04 1.09 -0.11 0.45 -2.88 0.00 0.00 179.24 177.75 2jpa h HIS 81 N 0.88 0.81 -0.16 0.28 3.86 -1.76 -0.65 115.15 118.41 2jpa h HIS 81 Ca 0.15 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2jpa h HIS 81 Cb 0.61 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2jpa h HIS 81 CO 0.04 0.88 0.01 1.25 0.86 0.00 0.00 177.93 180.98 2jpa h LEU 82 N 0.51 0.26 -1.27 2.43 6.46 -1.01 0.23 115.31 122.92 2jpa h LEU 82 Ca 0.09 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 2jpa h LEU 82 Cb 0.63 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2jpa h LEU 82 CO 0.04 0.48 0.04 0.50 -0.62 0.00 0.00 178.44 178.88 2jpa h LYS 83 N 0.03 0.54 -0.03 1.25 3.64 -0.70 0.49 116.57 121.79 2jpa h LYS 83 Ca 0.05 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jpa h LYS 83 Cb 0.34 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jpa h LYS 83 CO 0.01 0.53 0.00 1.15 -2.27 0.00 0.00 179.45 178.87 2jpa h THR 84 N 0.52 1.23 -0.13 1.00 2.02 -0.89 -2.72 112.91 113.94 2jpa h THR 84 Ca 0.12 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 2jpa h THR 84 Cb 0.27 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2jpa h THR 84 CO 0.00 0.18 -0.13 -0.74 0.37 0.00 0.00 175.52 175.21 2jpa h HIS 85 N -0.22 0.21 -0.88 3.16 -0.00 -0.16 -1.34 115.15 115.92 2jpa h HIS 85 Ca 0.01 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 2jpa h HIS 85 Cb 0.29 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.58 2jpa h HIS 85 CO 0.02 0.33 0.56 1.15 -0.00 0.00 0.00 177.93 179.99 2jpa h THR 86 N 0.19 1.07 0.00 6.26 2.02 0.16 -0.16 112.91 122.45 2jpa h THR 86 Ca 0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 2jpa h THR 86 Cb 0.35 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2jpa h THR 86 CO 0.02 0.19 -0.12 0.03 0.37 0.00 0.00 175.52 176.01 2jpa h ARG 87 N 1.03 0.00 -0.23 6.66 3.08 -0.93 0.12 114.38 124.11 2jpa h ARG 87 Ca 0.38 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.33 2jpa h ARG 87 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2jpa h ARG 87 CO -0.16 0.12 -0.26 1.15 -1.07 0.00 0.00 179.97 179.75 2jpa h THR 88 N 0.00 1.26 0.00 2.04 2.02 -0.96 0.03 112.91 117.30 2jpa h THR 88 Ca -0.00 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 2jpa h THR 88 Cb 0.36 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2jpa h THR 88 CO 0.02 0.39 -0.80 0.45 0.37 0.00 0.00 175.52 175.95 2jpa h HIS 89 N 0.38 0.00 -0.01 3.16 3.86 -0.99 -3.32 115.15 118.23 2jpa h HIS 89 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2jpa h HIS 89 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2jpa h HIS 89 CO 0.02 0.20 -0.36 2.41 0.86 0.00 0.00 177.93 181.06 2jpa n THR 90 N -2.90 0.00 -1.20 2.45 -1.04 0.28 -4.94 114.28 106.94 2jpa n THR 90 Ca -0.01 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.05 61.82 2jpa n THR 90 Cb 0.64 0.50 -0.03 0.00 -1.82 0.00 0.00 70.33 69.62 2jpa n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jpa n GLY 91 N 1.39 0.75 3.55 3.41 0.00 -0.07 -4.92 105.19 109.30 2jpa n GLY 91 Ca 0.10 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2jpa n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jpa s GLU 92 N -2.35 3.19 -0.70 1.61 2.12 -0.83 -4.92 118.70 116.80 2jpa s GLU 92 Ca 0.00 -0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.08 2jpa s GLU 92 Cb 0.00 -4.41 0.17 0.00 0.26 0.00 0.00 34.13 30.14 2jpa s GLU 92 CO 0.00 -2.25 0.50 0.15 -0.54 0.00 0.00 175.26 173.12 2jpa s LYS 93 N 5.77 2.46 0.14 4.30 1.02 -1.26 -4.37 119.74 127.81 2jpa s LYS 93 Ca 0.41 -3.35 0.26 0.00 0.02 0.00 0.00 55.97 53.31 2jpa s LYS 93 Cb -0.07 -3.41 0.66 0.00 -0.52 0.00 0.00 37.83 34.49 2jpa s LYS 93 CO 0.11 -1.29 1.60 -0.35 -0.92 0.00 0.00 175.35 174.50 2jpa n PRO 94 N 1.96 0.23 -2.37 -1.68 -0.04 -1.08 -4.34 135.00 127.68 2jpa n PRO 94 Ca 0.20 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.36 2jpa n PRO 94 Cb 0.35 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2jpa n PRO 94 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jpa n PHE 95 N -2.08 3.92 -3.09 0.54 3.72 -0.37 -4.91 117.46 115.19 2jpa n PHE 95 Ca 0.05 -2.98 -0.36 0.00 -0.05 0.00 0.00 57.45 54.10 2jpa n PHE 95 Cb 0.42 -2.30 -0.06 0.00 -0.94 0.00 0.00 39.48 36.59 2jpa n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jpa s SER 96 N 2.61 7.08 0.64 4.37 0.01 -1.26 -1.06 113.70 126.09 2jpa s SER 96 Ca 0.45 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.99 2jpa s SER 96 Cb 0.07 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2jpa s SER 96 CO -0.00 0.04 1.11 0.00 0.41 0.00 0.00 173.24 174.80 2jpa n ARG 98 N -2.27 0.46 -1.25 0.00 5.12 -1.26 -3.81 116.66 113.65 2jpa n ARG 98 Ca 0.10 -1.12 -0.32 0.00 -1.93 0.00 0.00 57.85 54.58 2jpa n ARG 98 Cb 0.52 -1.19 0.10 0.00 -1.16 0.00 0.00 32.46 30.73 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2jpa s TRP 99 N -0.83 2.16 -2.00 -1.55 0.52 -1.26 -4.87 118.94 111.11 2jpa s TRP 99 Ca 0.12 1.63 0.04 0.00 0.02 0.00 0.00 56.10 57.91 2jpa s TRP 99 Cb 0.08 -3.28 0.21 0.00 -1.15 0.00 0.00 33.47 29.34 2jpa s TRP 99 CO 0.12 -2.30 0.64 -2.30 0.02 0.00 0.00 176.95 173.13 2jpa n PRO 100 N -3.27 0.42 -2.68 4.98 -0.02 -1.26 -3.84 135.00 129.34 2jpa n PRO 100 Ca 0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.55 2jpa n PRO 100 Cb 0.52 -1.13 0.05 0.00 -0.02 0.00 0.00 33.50 32.92 2jpa n PRO 100 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jpa n SER 101 N -0.63 -1.55 0.00 2.55 7.64 -1.26 -5.08 113.62 115.28 2jpa n SER 101 Ca 0.03 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.31 2jpa n SER 101 Cb 0.01 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpa n GLN 103 N -0.83 -1.53 -1.68 0.00 3.00 -1.25 -4.94 117.38 110.16 2jpa n GLN 103 Ca 0.00 0.79 -0.43 0.00 -0.01 0.00 0.00 57.00 57.35 2jpa n GLN 103 Cb 0.00 -5.09 -0.02 0.00 0.00 0.00 0.00 30.24 25.13 2jpa n GLN 103 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2jpa n LYS 104 N -0.95 2.08 -4.55 -1.09 5.02 -1.26 -3.67 118.16 113.74 2jpa n LYS 104 Ca -0.09 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.59 2jpa n LYS 104 Cb 0.52 -2.34 -0.11 0.00 -0.02 0.00 0.00 35.03 33.08 2jpa n LYS 104 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2jpa s LYS 105 N -1.23 2.80 0.16 1.97 -2.85 -1.26 -0.58 119.74 118.76 2jpa s LYS 105 Ca 0.61 -0.52 0.05 0.00 -1.00 0.00 0.00 55.97 55.11 2jpa s LYS 105 Cb -0.60 -2.64 -0.05 0.00 -2.06 0.00 0.00 37.83 32.48 2jpa s LYS 105 CO 0.57 0.67 -0.10 -0.06 0.10 0.00 0.00 175.35 176.53 2jpa s PHE 106 N -0.84 1.37 -2.69 1.78 0.08 -0.22 -4.94 117.98 112.52 2jpa s PHE 106 Ca 0.13 -0.73 0.24 0.00 0.12 0.00 0.00 56.93 56.68 2jpa s PHE 106 Cb -0.11 -0.69 0.44 0.00 -0.57 0.00 0.00 43.02 42.10 2jpa s PHE 106 CO 0.02 0.13 1.40 0.00 -0.10 0.00 0.00 175.22 176.67 2jpa n ALA 107 N -0.25 2.47 -3.08 5.36 0.00 -1.26 -1.24 120.51 122.51 2jpa n ALA 107 Ca -0.09 -0.74 -0.17 0.00 0.00 0.00 0.00 53.44 52.44 2jpa n ALA 107 Cb 0.61 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 19.00 2jpa n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jpa s ARG 108 N -1.82 0.49 0.16 0.00 0.52 -1.26 -4.88 118.95 112.16 2jpa s ARG 108 Ca 0.33 -0.13 -0.15 0.00 -0.52 0.00 0.00 55.73 55.26 2jpa s ARG 108 Cb 0.21 -0.51 0.07 0.00 0.52 0.00 0.00 34.95 35.25 2jpa s ARG 108 CO 0.31 0.04 1.76 0.66 0.02 0.00 0.00 175.30 178.09 2jpa h SER 109 N 6.43 0.21 -0.04 0.23 4.64 -1.96 -1.82 113.55 121.24 2jpa h SER 109 Ca -0.32 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2jpa h SER 109 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2jpa h SER 109 CO 0.49 0.16 -0.17 -2.24 -0.87 0.00 0.00 176.83 174.20 2jpa h ASP 110 N 0.34 0.38 -0.51 4.97 2.03 -1.98 0.30 116.42 121.95 2jpa h ASP 110 Ca 0.17 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 2jpa h ASP 110 Cb 0.13 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.50 2jpa h ASP 110 CO -0.15 0.57 0.32 -0.33 -1.03 0.00 0.00 179.24 178.61 2jpa h GLU 111 N 0.36 0.68 -0.70 4.15 5.08 -1.82 0.13 114.58 122.46 2jpa h GLU 111 Ca 0.06 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2jpa h GLU 111 Cb 0.51 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2jpa h GLU 111 CO 0.03 0.48 0.22 1.25 -1.00 0.00 0.00 179.01 179.98 2jpa h LEU 112 N 0.68 1.00 -0.29 1.33 5.85 -0.78 -0.64 115.31 122.46 2jpa h LEU 112 Ca 0.18 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2jpa h LEU 112 Cb -0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2jpa h LEU 112 CO -0.04 0.93 0.16 0.58 -0.34 0.00 0.00 178.44 179.73 2jpa h VAL 113 N 1.03 1.02 -0.27 1.05 2.07 -0.32 0.13 116.25 120.95 2jpa h VAL 113 Ca 0.23 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2jpa h VAL 113 Cb 0.29 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2jpa h VAL 113 CO -0.01 0.06 0.10 -0.09 0.02 0.00 0.00 177.57 177.65 2jpa h ARG 114 N 0.33 0.42 -0.59 1.57 2.43 -0.82 -2.28 114.38 115.43 2jpa h ARG 114 Ca 0.11 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2jpa h ARG 114 Cb 0.01 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 2jpa h ARG 114 CO -0.06 0.46 0.23 1.25 -1.51 0.00 0.00 179.97 180.34 2jpa h HIS 115 N 0.29 0.41 -0.37 2.20 2.76 -0.78 0.10 115.15 119.76 2jpa h HIS 115 Ca 0.09 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2jpa h HIS 115 Cb 0.21 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2jpa h HIS 115 CO -0.00 0.12 0.20 0.45 -1.30 0.00 0.00 177.93 177.39 2jpa h HIS 116 N 0.42 0.49 0.00 5.26 3.86 -0.55 -0.11 115.15 124.52 2jpa h HIS 116 Ca 0.29 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2jpa h HIS 116 Cb 0.34 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2jpa h HIS 116 CO -0.16 0.35 0.00 -0.91 0.86 0.00 0.00 177.93 178.07 2jpa h ASN 117 N 0.51 0.00 1.57 2.45 2.35 -0.40 -1.49 115.58 120.56 2jpa h ASN 117 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2jpa h ASN 117 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jpa h ASN 117 CO -0.02 0.00 0.00 -0.03 -1.65 0.00 0.00 177.43 175.73 2jpa h MET 118 N 0.00 0.00 -0.01 0.81 4.05 -0.42 -3.51 114.93 115.85 2jpa h MET 118 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jpa h MET 118 Cb 0.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2jpa h MET 118 CO 0.00 0.00 0.00 0.72 0.23 0.00 0.00 176.91 177.86