#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa h SER 2 N 0.00 0.00 1.14 0.00 4.64 -2.05 -1.50 113.55 115.78 2jpa h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jpa h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jpa h SER 2 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 2jpa h GLU 3 N 0.00 0.00 -4.91 4.77 3.07 -2.04 -3.36 114.58 112.11 2jpa h GLU 3 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 2jpa h GLU 3 Cb 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2jpa h GLU 3 CO 0.00 0.00 2.20 1.17 -1.40 0.00 0.00 179.01 180.98 2jpa n LYS 4 N -2.57 2.25 0.15 2.33 4.81 -0.57 -4.78 118.16 119.78 2jpa n LYS 4 Ca 0.03 -2.51 -0.14 0.00 -0.87 0.00 0.00 58.31 54.82 2jpa n LYS 4 Cb 0.33 -3.34 -0.08 0.00 0.02 0.00 0.00 35.03 31.97 2jpa n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jpa h ARG 5 N 7.78 -0.29 -6.36 1.64 -0.00 -1.87 -3.43 114.38 111.85 2jpa h ARG 5 Ca 0.42 0.02 -0.55 0.00 -0.50 0.00 0.00 59.98 59.37 2jpa h ARG 5 Cb 0.77 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.79 2jpa h ARG 5 CO 1.65 -0.19 0.58 -1.25 0.00 0.00 0.00 179.97 180.77 2jpa s PRO 6 N -6.15 4.42 0.36 0.04 0.04 -1.26 -4.03 135.00 128.42 2jpa s PRO 6 Ca -0.15 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.55 2jpa s PRO 6 Cb 0.05 -3.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 2jpa s PRO 6 CO 0.65 -0.31 0.02 -0.06 0.04 0.00 0.00 177.00 177.34 2jpa s PHE 7 N 1.68 2.21 0.09 0.56 0.40 -0.27 -4.99 117.98 117.66 2jpa s PHE 7 Ca 0.55 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 2jpa s PHE 7 Cb -0.24 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 2jpa s PHE 7 CO 0.24 0.24 -0.06 -1.64 0.70 0.00 0.00 175.22 174.69 2jpa s MET 8 N -3.79 0.77 0.38 0.44 -1.94 -1.26 -0.39 119.30 113.51 2jpa s MET 8 Ca 0.35 -1.25 -0.25 0.00 -1.71 0.00 0.00 55.69 52.83 2jpa s MET 8 Cb 0.09 -0.17 -0.09 0.00 2.01 0.00 0.00 34.83 36.66 2jpa s MET 8 CO 0.16 -0.02 1.06 0.00 -0.01 0.00 0.00 175.02 176.21 2jpa n ALA 10 N 0.16 2.51 -2.68 0.00 0.00 -1.26 -3.98 120.51 115.26 2jpa n ALA 10 Ca 0.04 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 2jpa n ALA 10 Cb 0.49 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.98 3.47 0.59 0.00 5.04 -1.26 -4.93 117.35 118.27 2jpa s TYR 11 Ca 0.33 1.36 0.29 0.00 -2.44 0.00 0.00 57.07 56.61 2jpa s TYR 11 Cb 0.20 -3.05 1.61 0.00 0.35 0.00 0.00 41.96 41.08 2jpa s TYR 11 CO 0.31 -0.20 2.05 -1.35 -1.34 0.00 0.00 175.55 175.02 2jpa h PRO 12 N 7.19 0.00 -0.04 4.97 0.11 -1.99 0.11 132.00 142.35 2jpa h PRO 12 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jpa h PRO 12 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jpa h PRO 12 CO 0.83 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 2jpa n GLY 13 N -1.43 -0.20 0.34 -0.55 0.00 -1.26 -4.65 105.19 97.44 2jpa n GLY 13 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.36 -5.35 -3.53 0.00 3.02 -0.53 -4.98 115.26 102.52 2jpa n ASN 15 Ca 0.00 0.16 -0.19 0.00 -0.03 0.00 0.00 54.58 54.53 2jpa n ASN 15 Cb 0.00 -4.56 0.12 0.00 -0.61 0.00 0.00 39.78 34.73 2jpa n ASN 15 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jpa n LYS 16 N -2.75 -0.45 -4.30 3.52 5.02 -1.26 -4.62 118.16 113.32 2jpa n LYS 16 Ca -0.22 -1.65 -0.30 0.00 -2.02 0.00 0.00 58.31 54.12 2jpa n LYS 16 Cb 0.66 -0.73 -0.10 0.00 -0.02 0.00 0.00 35.03 34.83 2jpa n LYS 16 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jpa s ARG 17 N -4.70 2.27 0.27 1.97 3.52 -1.26 -0.16 118.95 120.85 2jpa s ARG 17 Ca 0.50 -0.93 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 2jpa s ARG 17 Cb -0.02 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.95 2jpa s ARG 17 CO 0.34 0.53 0.09 0.71 -0.81 0.00 0.00 175.30 176.17 2jpa s TYR 18 N -1.16 1.58 0.00 5.12 2.02 0.48 -4.91 117.35 120.48 2jpa s TYR 18 Ca 0.20 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2jpa s TYR 18 Cb -0.11 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 2jpa s TYR 18 CO 0.12 -0.31 0.22 0.34 -1.57 0.00 0.00 175.55 174.35 2jpa n PHE 19 N -0.49 0.00 -3.74 2.71 7.35 -1.26 -1.12 117.46 120.92 2jpa n PHE 19 Ca -0.00 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.53 2jpa n PHE 19 Cb 0.66 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.34 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2jpa s LYS 20 N -0.37 0.01 0.18 -4.13 -0.14 -1.26 -4.70 119.74 109.33 2jpa s LYS 20 Ca 0.00 0.33 -0.16 0.00 -1.36 0.00 0.00 55.97 54.78 2jpa s LYS 20 Cb 0.00 -0.26 0.13 0.00 -1.68 0.00 0.00 37.83 36.02 2jpa s LYS 20 CO 0.00 -0.21 1.65 1.25 -0.76 0.00 0.00 175.35 177.29 2jpa h LEU 21 N 7.57 -0.45 -0.21 3.17 5.85 -1.89 0.18 115.31 129.54 2jpa h LEU 21 Ca -0.36 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2jpa h LEU 21 Cb 1.13 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2jpa h LEU 21 CO 0.37 -0.16 -0.08 0.77 -0.34 0.00 0.00 178.44 179.00 2jpa h SER 22 N -0.01 0.43 0.08 1.25 4.64 -1.97 0.23 113.55 118.20 2jpa h SER 22 Ca 0.22 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 2jpa h SER 22 Cb 0.35 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2jpa h SER 22 CO -0.48 0.73 -0.17 1.12 -0.87 0.00 0.00 176.83 177.16 2jpa h HIS 23 N 0.12 0.20 -0.15 4.77 2.07 -1.88 0.30 115.15 120.57 2jpa h HIS 23 Ca 0.05 -0.02 -0.21 0.00 -2.85 0.00 0.00 60.37 57.33 2jpa h HIS 23 Cb 0.56 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.49 2jpa h HIS 23 CO 0.06 0.36 -0.74 1.25 -3.07 0.00 0.00 177.93 175.79 2jpa h LEU 24 N 0.18 0.84 -1.16 6.12 7.12 -0.56 -1.58 115.31 126.28 2jpa h LEU 24 Ca 0.03 -0.54 0.03 0.00 0.13 0.00 0.00 57.88 57.54 2jpa h LEU 24 Cb 0.41 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.24 2jpa h LEU 24 CO 0.03 1.32 0.58 -0.61 -0.13 0.00 0.00 178.44 179.63 2jpa h GLN 25 N 0.50 1.08 -0.24 1.25 5.75 0.63 0.34 115.11 124.41 2jpa h GLN 25 Ca -0.04 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2jpa h GLN 25 Cb 1.35 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 2jpa h GLN 25 CO 0.15 0.71 0.04 1.98 -2.65 0.00 0.00 178.83 179.06 2jpa h MET 26 N 1.11 0.40 -0.65 1.69 4.05 -0.38 -2.70 114.93 118.44 2jpa h MET 26 Ca 0.34 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.71 2jpa h MET 26 Cb -0.01 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 2jpa h MET 26 CO -0.10 0.52 0.43 1.25 0.23 0.00 0.00 176.91 179.25 2jpa h HIS 27 N 0.21 0.69 -0.50 1.39 -0.00 -0.44 -1.21 115.15 115.30 2jpa h HIS 27 Ca 0.07 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 2jpa h HIS 27 Cb 0.31 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 2jpa h HIS 27 CO 0.02 0.38 0.33 0.77 -0.00 0.00 0.00 177.93 179.43 2jpa h SER 28 N 0.70 0.51 -0.91 3.26 0.02 -0.03 -1.37 113.55 115.73 2jpa h SER 28 Ca 0.27 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.33 2jpa h SER 28 Cb 0.20 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 2jpa h SER 28 CO -0.08 0.36 0.58 0.03 -1.14 0.00 0.00 176.83 176.58 2jpa h ARG 29 N 0.59 0.83 -0.84 3.45 2.47 -1.05 0.39 114.38 120.22 2jpa h ARG 29 Ca 0.20 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.94 2jpa h ARG 29 Cb 0.06 -0.19 -0.07 0.00 -1.65 0.00 0.00 29.97 28.12 2jpa h ARG 29 CO -0.05 0.55 0.51 -0.22 0.56 0.00 0.00 179.97 181.32 2jpa h LYS 30 N 0.85 0.87 0.00 0.04 3.11 -1.36 -2.77 116.57 117.32 2jpa h LYS 30 Ca 0.44 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 58.19 2jpa h LYS 30 Cb 0.50 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2jpa h LYS 30 CO -0.20 0.58 -0.95 0.45 -2.81 0.00 0.00 179.45 176.52 2jpa h HIS 31 N 0.90 0.00 0.00 1.91 3.86 -0.84 -3.37 115.15 117.61 2jpa h HIS 31 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2jpa h HIS 31 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2jpa h HIS 31 CO -0.04 0.12 0.15 -2.37 0.86 0.00 0.00 177.93 176.65 2jpa n THR 32 N -2.78 1.04 -2.46 2.45 5.66 0.11 -0.76 114.28 117.54 2jpa n THR 32 Ca -0.01 0.66 -0.06 0.00 -3.05 0.00 0.00 64.05 61.59 2jpa n THR 32 Cb 0.61 -1.66 0.05 0.00 -1.55 0.00 0.00 70.33 67.77 2jpa n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jpa n GLY 33 N -1.32 3.32 0.03 1.09 0.00 -1.26 -4.80 105.19 102.25 2jpa n GLY 33 Ca -0.01 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.53 1.81 -2.94 1.61 1.02 0.06 -4.40 120.64 117.27 2jpa n GLU 34 Ca 0.19 -1.25 -0.41 0.00 -0.02 0.00 0.00 57.16 55.66 2jpa n GLU 34 Cb 0.89 -0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 2jpa n GLU 34 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2jpa s LYS 35 N -0.79 4.17 -0.51 3.49 2.20 0.03 -4.98 119.74 123.34 2jpa s LYS 35 Ca 0.02 0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 56.21 2jpa s LYS 35 Cb 0.02 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2jpa s LYS 35 CO 0.00 -0.49 1.64 -1.25 -0.36 0.00 0.00 175.35 174.89 2jpa s PRO 36 N 2.76 3.12 0.34 4.03 0.04 -1.26 -3.66 135.00 140.37 2jpa s PRO 36 Ca 0.33 0.76 0.07 0.00 0.04 0.00 0.00 61.00 62.19 2jpa s PRO 36 Cb -0.15 -4.22 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 2jpa s PRO 36 CO 0.08 -2.14 0.42 0.71 0.04 0.00 0.00 177.00 176.11 2jpa s TYR 37 N 7.13 3.04 0.07 0.56 2.02 0.27 -4.95 117.35 125.49 2jpa s TYR 37 Ca 0.64 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2jpa s TYR 37 Cb -0.14 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2jpa s TYR 37 CO 0.26 0.03 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.01 2jpa s GLN 38 N -4.13 0.74 0.24 -0.62 2.00 -1.26 -0.94 119.66 115.70 2jpa s GLN 38 Ca 0.44 -0.93 -0.31 0.00 -2.00 0.00 0.00 55.36 52.56 2jpa s GLN 38 Cb -0.08 -0.64 -0.14 0.00 0.80 0.00 0.00 33.01 32.94 2jpa s GLN 38 CO 0.30 0.13 1.27 0.00 -0.50 0.00 0.00 175.29 176.49 2jpa n ASP 40 N 1.81 0.19 -4.68 0.00 8.00 -1.26 -4.78 116.55 115.84 2jpa n ASP 40 Ca 0.11 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.72 2jpa n ASP 40 Cb 0.30 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2jpa s PHE 41 N -3.05 2.63 -2.00 1.24 5.36 -1.26 -4.88 117.98 116.02 2jpa s PHE 41 Ca 0.10 0.69 0.03 0.00 -0.96 0.00 0.00 56.93 56.78 2jpa s PHE 41 Cb 0.14 -3.70 0.15 0.00 -0.34 0.00 0.00 43.02 39.27 2jpa s PHE 41 CO 0.44 -2.69 0.62 0.36 -1.46 0.00 0.00 175.22 172.48 2jpa n LYS 42 N 6.01 0.47 -0.01 10.12 2.85 -1.26 -1.59 118.16 134.74 2jpa n LYS 42 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2jpa n LYS 42 Cb 0.44 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.73 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jpa n ASP 43 N -0.58 0.71 -4.71 -5.58 8.00 -1.26 -5.09 116.55 108.03 2jpa n ASP 43 Ca 0.02 -1.39 -0.25 0.00 0.71 0.00 0.00 54.79 53.88 2jpa n ASP 43 Cb 0.01 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jpa n GLU 45 N -0.50 0.52 -3.36 0.00 -0.00 -1.26 -4.81 120.64 111.23 2jpa n GLU 45 Ca -0.08 -2.42 -0.34 0.00 -0.00 0.00 0.00 57.16 54.31 2jpa n GLU 45 Cb 0.56 -0.53 -0.06 0.00 -0.00 0.00 0.00 31.44 31.41 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2jpa s ARG 46 N -1.06 3.93 0.08 3.44 1.81 -1.26 -4.95 118.95 120.93 2jpa s ARG 46 Ca 0.35 0.43 0.06 0.00 -1.72 0.00 0.00 55.73 54.86 2jpa s ARG 46 Cb 0.38 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 32.04 2jpa s ARG 46 CO -0.14 0.41 -0.17 1.03 -0.68 0.00 0.00 175.30 175.75 2jpa s ARG 47 N -2.29 0.94 0.20 3.54 3.00 -1.26 -0.57 118.95 122.51 2jpa s ARG 47 Ca 0.42 -1.03 0.03 0.00 0.00 0.00 0.00 55.73 55.15 2jpa s ARG 47 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 34.95 33.72 2jpa s ARG 47 CO 0.20 0.24 -0.01 -0.06 0.00 0.00 0.00 175.30 175.67 2jpa s PHE 48 N -1.22 1.40 -1.34 -0.53 0.08 -0.12 -4.97 117.98 111.28 2jpa s PHE 48 Ca 0.01 -0.95 0.16 0.00 0.12 0.00 0.00 56.93 56.28 2jpa s PHE 48 Cb -0.10 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 2jpa s PHE 48 CO 0.03 -0.10 0.82 -1.13 -0.10 0.00 0.00 175.22 174.75 2jpa n SER 49 N -0.33 1.46 -3.89 1.36 3.41 -1.26 -0.56 113.62 113.81 2jpa n SER 49 Ca -0.06 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.21 2jpa n SER 49 Cb 0.63 0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 65.06 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 -2.04 0.47 0.26 4.33 3.52 -1.24 -0.79 118.95 123.46 2jpa s ARG 50 Ca 0.12 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2jpa s ARG 50 Cb 0.13 0.19 0.43 0.00 -1.56 0.00 0.00 34.95 34.14 2jpa s ARG 50 CO 0.46 -0.11 1.86 0.77 -0.81 0.00 0.00 175.30 177.47 2jpa h SER 51 N 4.29 0.94 -0.33 -2.12 0.02 -1.87 -1.71 113.55 112.77 2jpa h SER 51 Ca -0.31 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 2jpa h SER 51 Cb 1.20 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2jpa h SER 51 CO 0.41 0.57 -0.18 -0.78 -1.14 0.00 0.00 176.83 175.70 2jpa h ASP 52 N 1.05 0.81 -0.20 3.07 3.58 -1.96 0.19 116.42 122.96 2jpa h ASP 52 Ca 0.43 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2jpa h ASP 52 Cb 0.27 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2jpa h ASP 52 CO -0.20 0.98 0.11 1.56 -2.88 0.00 0.00 179.24 178.81 2jpa h GLN 53 N 0.71 0.27 -0.26 0.28 4.20 -1.77 0.23 115.11 118.76 2jpa h GLN 53 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2jpa h GLN 53 Cb 0.69 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2jpa h GLN 53 CO 0.05 0.26 0.14 1.25 -0.67 0.00 0.00 178.83 179.85 2jpa h LEU 54 N 0.22 0.33 -0.99 1.46 5.85 -1.15 0.71 115.31 121.74 2jpa h LEU 54 Ca 0.07 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jpa h LEU 54 Cb 0.06 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2jpa h LEU 54 CO -0.01 0.34 0.65 0.11 -0.34 0.00 0.00 178.44 179.19 2jpa h LYS 55 N 0.30 1.24 -0.39 1.25 1.57 -0.39 0.15 116.57 120.31 2jpa h LYS 55 Ca 0.09 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2jpa h LYS 55 Cb 0.08 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2jpa h LYS 55 CO -0.01 0.82 0.02 0.00 -0.57 0.00 0.00 179.45 179.71 2jpa h ARG 56 N 1.28 0.68 -0.87 3.15 3.08 -0.32 -3.07 114.38 118.31 2jpa h ARG 56 Ca 0.38 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2jpa h ARG 56 Cb -0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2jpa h ARG 56 CO -0.11 0.76 0.53 1.25 -1.07 0.00 0.00 179.97 181.32 2jpa h HIS 57 N 0.51 1.14 -0.95 3.04 2.76 0.05 -1.31 115.15 120.39 2jpa h HIS 57 Ca 0.11 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.44 2jpa h HIS 57 Cb 0.44 -0.37 -0.08 0.00 1.55 0.00 0.00 27.41 28.94 2jpa h HIS 57 CO 0.03 0.75 0.60 1.96 -1.30 0.00 0.00 177.93 179.98 2jpa h GLN 58 N 1.20 0.73 -0.64 5.26 1.08 -0.64 -0.32 115.11 121.78 2jpa h GLN 58 Ca 0.31 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.59 2jpa h GLN 58 Cb -0.06 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.17 2jpa h GLN 58 CO -0.06 0.48 0.43 0.00 -0.95 0.00 0.00 178.83 178.74 2jpa h ARG 59 N 0.75 0.33 -0.56 1.46 2.47 -1.21 0.11 114.38 117.74 2jpa h ARG 59 Ca 0.49 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.15 2jpa h ARG 59 Cb 0.76 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 2jpa h ARG 59 CO -0.26 0.22 0.20 -0.09 0.56 0.00 0.00 179.97 180.60 2jpa h ARG 60 N 0.34 0.83 0.09 0.04 2.43 -1.13 0.26 114.38 117.24 2jpa h ARG 60 Ca 0.31 -0.14 -0.31 0.00 -0.81 0.00 0.00 59.98 59.03 2jpa h ARG 60 Cb 0.73 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2jpa h ARG 60 CO -0.08 0.70 -1.64 0.45 -1.51 0.00 0.00 179.97 177.89 2jpa h HIS 61 N 0.81 0.33 0.00 2.20 3.86 -1.12 -3.35 115.15 117.89 2jpa h HIS 61 Ca 0.19 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 2jpa h HIS 61 Cb 0.20 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2jpa h HIS 61 CO 0.01 1.36 -0.48 1.79 0.86 0.00 0.00 177.93 181.47 2jpa h THR 62 N 0.05 0.26 0.00 2.45 1.35 -0.81 -3.47 112.91 112.73 2jpa h THR 62 Ca -0.28 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 2jpa h THR 62 Cb 2.01 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2jpa h THR 62 CO 0.13 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2jpa n GLY 63 N 1.18 1.00 3.77 5.82 0.00 0.91 -4.98 105.19 112.89 2jpa n GLY 63 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.95 3.15 -0.52 1.61 0.11 -1.25 -5.02 120.40 115.53 2jpa s VAL 64 Ca 0.00 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 59.91 2jpa s VAL 64 Cb 0.00 -3.39 0.16 0.00 -1.53 0.00 0.00 36.38 31.62 2jpa s VAL 64 CO 0.00 -0.05 0.38 -0.54 -3.33 0.00 0.00 175.10 171.55 2jpa s LYS 65 N -2.85 1.53 0.52 1.54 1.02 -1.26 -4.53 119.74 115.70 2jpa s LYS 65 Ca 0.66 -2.52 0.29 0.00 0.02 0.00 0.00 55.97 54.41 2jpa s LYS 65 Cb -0.27 -2.30 1.42 0.00 -0.52 0.00 0.00 37.83 36.16 2jpa s LYS 65 CO 0.32 -1.31 2.04 -1.35 -0.92 0.00 0.00 175.35 174.13 2jpa h PRO 66 N 5.78 0.00 -5.43 -1.68 0.11 -1.84 -3.40 132.00 125.54 2jpa h PRO 66 Ca 0.17 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.68 2jpa h PRO 66 Cb 0.86 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.86 2jpa h PRO 66 CO 0.51 0.12 -0.29 -0.06 -0.21 0.00 0.00 178.00 178.08 2jpa s PHE 67 N -4.05 3.41 -0.03 0.65 0.40 -0.62 -4.98 117.98 112.76 2jpa s PHE 67 Ca -0.02 0.57 0.06 0.00 -0.60 0.00 0.00 56.93 56.94 2jpa s PHE 67 Cb 0.12 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 2jpa s PHE 67 CO 0.58 0.11 -0.20 -1.14 0.70 0.00 0.00 175.22 175.27 2jpa s GLN 68 N 0.89 1.84 0.43 0.44 0.74 -1.26 -0.05 119.66 122.68 2jpa s GLN 68 Ca 0.17 -0.72 -0.24 0.00 0.05 0.00 0.00 55.36 54.61 2jpa s GLN 68 Cb -0.14 -1.68 -0.08 0.00 1.10 0.00 0.00 33.01 32.21 2jpa s GLN 68 CO 0.06 0.37 1.19 0.00 -0.55 0.00 0.00 175.29 176.36 2jpa n LYS 70 N -0.17 0.02 -0.03 0.00 -0.00 -1.26 -3.06 118.16 113.66 2jpa n LYS 70 Ca 0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.31 58.32 2jpa n LYS 70 Cb 0.47 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.99 2jpa n LYS 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2jpa n THR 71 N -1.48 0.58 1.08 0.58 -1.04 -1.26 -4.69 114.28 108.05 2jpa n THR 71 Ca 0.06 0.34 0.12 0.00 -2.04 0.00 0.00 64.05 62.54 2jpa n THR 71 Cb 0.34 -1.79 0.27 0.00 -1.82 0.00 0.00 70.33 67.33 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 -1.20 -0.97 -2.32 0.00 7.27 -1.17 -5.00 117.38 113.98 2jpa n GLN 73 Ca 0.08 0.99 -0.32 0.00 0.07 0.00 0.00 57.00 57.82 2jpa n GLN 73 Cb 0.34 -5.08 -0.02 0.00 2.41 0.00 0.00 30.24 27.89 2jpa n GLN 73 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2jpa s ARG 74 N -3.18 3.84 0.06 3.69 3.52 -1.26 -4.65 118.95 120.96 2jpa s ARG 74 Ca 0.00 0.84 0.07 0.00 -0.13 0.00 0.00 55.73 56.50 2jpa s ARG 74 Cb 0.00 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 2jpa s ARG 74 CO 0.00 -0.32 -0.14 0.15 -0.81 0.00 0.00 175.30 174.18 2jpa s LYS 75 N -4.33 2.13 0.09 5.12 1.02 -1.26 0.06 119.74 122.56 2jpa s LYS 75 Ca 0.57 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.60 2jpa s LYS 75 Cb -0.10 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2jpa s LYS 75 CO 0.37 0.53 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.21 2jpa s PHE 76 N -1.04 0.83 -2.47 3.18 0.08 0.93 -5.00 117.98 114.48 2jpa s PHE 76 Ca 0.17 -0.87 0.23 0.00 0.12 0.00 0.00 56.93 56.58 2jpa s PHE 76 Cb -0.11 -0.49 0.47 0.00 -0.57 0.00 0.00 43.02 42.32 2jpa s PHE 76 CO 0.08 -0.16 1.42 0.43 -0.10 0.00 0.00 175.22 176.90 2jpa n SER 77 N 0.18 3.15 -3.91 1.36 7.64 -1.26 -1.59 113.62 119.19 2jpa n SER 77 Ca -0.14 -1.95 -0.13 0.00 1.01 0.00 0.00 58.87 57.66 2jpa n SER 77 Cb 0.60 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.44 2jpa n SER 77 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jpa s ARG 78 N -1.57 0.20 0.31 1.43 0.52 -1.26 -4.80 118.95 113.78 2jpa s ARG 78 Ca 0.37 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 2jpa s ARG 78 Cb 0.22 -0.17 0.52 0.00 0.52 0.00 0.00 34.95 36.04 2jpa s ARG 78 CO 0.31 0.05 1.82 1.03 0.02 0.00 0.00 175.30 178.53 2jpa h SER 79 N 6.01 0.52 0.05 0.23 0.87 -1.98 -1.15 113.55 118.09 2jpa h SER 79 Ca -0.26 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.04 2jpa h SER 79 Cb 1.20 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2jpa h SER 79 CO 0.50 0.63 -0.49 -2.24 -0.53 0.00 0.00 176.83 174.70 2jpa h ASP 80 N 0.51 0.54 0.37 6.23 3.04 -1.98 0.19 116.42 125.33 2jpa h ASP 80 Ca 0.10 -0.27 -0.24 0.00 -3.24 0.00 0.00 57.03 53.38 2jpa h ASP 80 Cb 0.43 -0.15 0.01 0.00 -1.04 0.00 0.00 39.33 38.57 2jpa h ASP 80 CO 0.02 0.95 -1.02 0.45 -2.04 0.00 0.00 179.24 177.59 2jpa h HIS 81 N 0.40 0.63 -0.18 4.15 3.86 -1.95 -0.73 115.15 121.33 2jpa h HIS 81 Ca 0.02 -0.37 -0.03 0.00 -1.16 0.00 0.00 60.37 58.83 2jpa h HIS 81 Cb 1.00 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 2jpa h HIS 81 CO 0.04 1.21 0.00 1.25 0.86 0.00 0.00 177.93 181.29 2jpa h LEU 82 N 0.21 0.31 -1.09 2.43 6.46 -1.10 0.26 115.31 122.79 2jpa h LEU 82 Ca -0.10 -0.30 -0.05 0.00 -0.12 0.00 0.00 57.88 57.31 2jpa h LEU 82 Cb 1.68 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 2jpa h LEU 82 CO 0.18 0.53 0.12 0.50 -0.62 0.00 0.00 178.44 179.15 2jpa h LYS 83 N 0.07 0.76 -0.05 1.25 3.64 -0.66 0.53 116.57 122.11 2jpa h LYS 83 Ca 0.05 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2jpa h LYS 83 Cb 0.37 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jpa h LYS 83 CO 0.01 0.70 0.02 1.15 -2.27 0.00 0.00 179.45 179.05 2jpa h THR 84 N 0.74 1.16 -0.08 1.00 2.02 -0.96 -1.93 112.91 114.86 2jpa h THR 84 Ca 0.16 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2jpa h THR 84 Cb 0.28 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2jpa h THR 84 CO -0.00 0.13 -0.14 -0.74 0.37 0.00 0.00 175.52 175.14 2jpa h HIS 85 N -0.11 0.12 -0.82 3.16 -0.00 -0.13 -0.94 115.15 116.42 2jpa h HIS 85 Ca 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jpa h HIS 85 Cb 0.19 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.53 2jpa h HIS 85 CO -0.01 0.26 0.51 1.15 -0.00 0.00 0.00 177.93 179.84 2jpa h THR 86 N 0.11 1.23 0.00 6.26 2.02 0.40 -0.06 112.91 122.87 2jpa h THR 86 Ca 0.02 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2jpa h THR 86 Cb 0.32 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2jpa h THR 86 CO 0.02 0.23 -0.08 0.03 0.37 0.00 0.00 175.52 176.09 2jpa h ARG 87 N 1.13 0.00 -0.06 6.66 3.08 -0.39 0.14 114.38 124.93 2jpa h ARG 87 Ca 0.30 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.22 2jpa h ARG 87 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2jpa h ARG 87 CO -0.06 0.08 -0.52 1.15 -1.07 0.00 0.00 179.97 179.55 2jpa h THR 88 N 0.00 1.36 0.00 2.04 2.02 -0.68 0.01 112.91 117.66 2jpa h THR 88 Ca -0.00 -1.80 -0.08 0.00 0.77 0.00 0.00 66.41 65.30 2jpa h THR 88 Cb 0.33 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2jpa h THR 88 CO 0.01 0.53 -0.85 0.45 0.37 0.00 0.00 175.52 176.03 2jpa h HIS 89 N 0.13 0.00 -0.01 3.16 3.86 -0.79 -3.33 115.15 118.17 2jpa h HIS 89 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jpa h HIS 89 Cb 0.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2jpa h HIS 89 CO 0.01 0.31 -0.36 2.41 0.86 0.00 0.00 177.93 181.16 2jpa n THR 90 N -2.95 0.00 -1.35 2.45 -1.04 0.34 -4.93 114.28 106.80 2jpa n THR 90 Ca -0.02 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 2jpa n THR 90 Cb 0.69 0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 69.64 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 1.19 3.55 3.41 0.00 -0.09 -4.91 105.19 109.73 2jpa n GLY 91 Ca 0.10 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.96 3.12 -0.69 1.61 2.12 -0.74 -4.93 118.70 116.23 2jpa s GLU 92 Ca 0.00 -0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.15 2jpa s GLU 92 Cb 0.00 -4.42 0.17 0.00 0.26 0.00 0.00 34.13 30.14 2jpa s GLU 92 CO 0.00 -2.31 0.48 0.15 -0.54 0.00 0.00 175.26 173.04 2jpa s LYS 93 N 5.91 2.47 0.24 4.30 1.02 -1.26 -4.37 119.74 128.05 2jpa s LYS 93 Ca 0.44 -3.17 0.24 0.00 0.02 0.00 0.00 55.97 53.50 2jpa s LYS 93 Cb -0.08 -3.48 0.49 0.00 -0.52 0.00 0.00 37.83 34.24 2jpa s LYS 93 CO 0.12 -1.24 1.53 -1.00 -0.92 0.00 0.00 175.35 173.84 2jpa h PRO 94 N 5.75 0.00 -4.87 -1.68 0.13 -1.84 -3.40 132.00 126.09 2jpa h PRO 94 Ca 0.10 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.51 2jpa h PRO 94 Cb 0.80 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.82 2jpa h PRO 94 CO 0.73 0.00 2.11 1.19 -0.23 0.00 0.00 178.00 181.80 2jpa n PHE 95 N -2.46 4.31 -2.90 1.56 3.72 -0.37 -4.91 117.46 116.39 2jpa n PHE 95 Ca 0.04 -3.01 -0.36 0.00 -0.05 0.00 0.00 57.45 54.07 2jpa n PHE 95 Cb 0.47 -2.40 -0.06 0.00 -0.94 0.00 0.00 39.48 36.55 2jpa n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jpa s SER 96 N 3.16 7.21 0.79 4.37 1.04 -1.26 -0.99 113.70 128.03 2jpa s SER 96 Ca 0.48 1.67 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 2jpa s SER 96 Cb 0.05 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.72 2jpa s SER 96 CO 0.02 -0.04 1.09 0.00 0.98 0.00 0.00 173.24 175.28 2jpa n ARG 98 N -3.55 2.13 -2.10 0.00 5.12 -1.26 -4.36 116.66 112.63 2jpa n ARG 98 Ca 0.08 -0.55 -0.41 0.00 -1.93 0.00 0.00 57.85 55.04 2jpa n ARG 98 Cb 0.54 -1.02 -0.03 0.00 -1.16 0.00 0.00 32.46 30.79 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 -1.13 3.13 0.00 -1.55 0.52 -1.26 -4.88 118.94 113.77 2jpa s TRP 99 Ca 0.06 1.10 0.00 0.00 0.02 0.00 0.00 56.10 57.29 2jpa s TRP 99 Cb 0.06 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 2jpa s TRP 99 CO 0.19 -2.33 1.49 -0.35 0.02 0.00 0.00 176.95 175.96 2jpa n PRO 100 N 2.50 0.83 -1.66 4.98 -0.04 -1.26 -2.76 135.00 137.60 2jpa n PRO 100 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2jpa n PRO 100 Cb 0.41 -1.08 0.03 0.00 -0.04 0.00 0.00 33.50 32.82 2jpa n PRO 100 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jpa n SER 101 N 1.37 -0.90 0.00 3.54 7.64 -1.26 -5.07 113.62 118.94 2jpa n SER 101 Ca 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2jpa n SER 101 Cb 0.42 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.29 -1.63 -1.50 0.00 7.27 -1.25 -5.00 117.38 114.98 2jpa n GLN 103 Ca 0.00 1.07 -0.31 0.00 0.07 0.00 0.00 57.00 57.83 2jpa n GLN 103 Cb 0.00 -5.67 0.06 0.00 2.41 0.00 0.00 30.24 27.04 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jpa s LYS 104 N -4.73 2.66 0.07 3.69 3.01 -1.26 -4.63 119.74 118.55 2jpa s LYS 104 Ca 0.00 1.12 0.06 0.00 -1.01 0.00 0.00 55.97 56.14 2jpa s LYS 104 Cb 0.00 -1.95 -0.03 0.00 -1.01 0.00 0.00 37.83 34.84 2jpa s LYS 104 CO 0.00 -1.33 -0.17 0.15 0.51 0.00 0.00 175.35 174.52 2jpa s LYS 105 N -4.78 0.97 0.13 1.68 1.02 -1.26 -0.15 119.74 117.35 2jpa s LYS 105 Ca 0.61 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.66 2jpa s LYS 105 Cb -0.16 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 2jpa s LYS 105 CO 0.52 0.25 -0.09 -0.06 -0.92 0.00 0.00 175.35 175.05 2jpa s PHE 106 N -1.13 1.15 -2.73 3.18 0.08 -0.16 -4.95 117.98 113.42 2jpa s PHE 106 Ca 0.02 -0.81 0.24 0.00 0.12 0.00 0.00 56.93 56.50 2jpa s PHE 106 Cb -0.10 -0.61 0.38 0.00 -0.57 0.00 0.00 43.02 42.13 2jpa s PHE 106 CO 0.03 0.01 1.37 0.00 -0.10 0.00 0.00 175.22 176.52 2jpa n ALA 107 N -0.15 2.46 -3.09 5.36 0.00 -1.26 -1.24 120.51 122.58 2jpa n ALA 107 Ca -0.11 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.39 2jpa n ALA 107 Cb 0.61 -0.88 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.81 0.52 0.19 0.00 0.52 -1.26 -4.88 118.95 112.23 2jpa s ARG 108 Ca 0.33 -0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 2jpa s ARG 108 Cb 0.21 -0.54 0.17 0.00 0.52 0.00 0.00 34.95 35.31 2jpa s ARG 108 CO 0.31 0.04 1.79 1.03 0.02 0.00 0.00 175.30 178.49 2jpa h SER 109 N 6.45 0.42 0.03 0.23 0.87 -1.96 -1.67 113.55 117.93 2jpa h SER 109 Ca -0.33 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.18 2jpa h SER 109 Cb 1.17 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2jpa h SER 109 CO 0.49 0.29 -0.26 -2.24 -0.53 0.00 0.00 176.83 174.58 2jpa h ASP 110 N 0.56 0.37 -0.74 6.23 2.03 -1.98 0.65 116.42 123.54 2jpa h ASP 110 Ca 0.25 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 2jpa h ASP 110 Cb 0.15 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.51 2jpa h ASP 110 CO -0.17 0.63 0.46 -0.33 -1.03 0.00 0.00 179.24 178.80 2jpa h GLU 111 N 0.33 0.99 -0.57 4.15 5.08 -1.78 0.14 114.58 122.91 2jpa h GLU 111 Ca 0.05 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2jpa h GLU 111 Cb 0.63 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2jpa h GLU 111 CO 0.05 0.68 -0.05 1.25 -1.00 0.00 0.00 179.01 179.94 2jpa h LEU 112 N 1.00 1.04 -0.64 1.33 5.85 -0.71 -0.01 115.31 123.17 2jpa h LEU 112 Ca 0.27 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jpa h LEU 112 Cb -0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 2jpa h LEU 112 CO -0.05 1.11 0.39 0.58 -0.34 0.00 0.00 178.44 180.13 2jpa h VAL 113 N 0.93 1.05 -0.28 1.05 2.07 -0.40 -0.33 116.25 120.34 2jpa h VAL 113 Ca 0.16 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jpa h VAL 113 Cb 0.61 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2jpa h VAL 113 CO 0.04 0.14 0.12 -0.09 0.02 0.00 0.00 177.57 177.80 2jpa h ARG 114 N 0.75 0.41 -0.37 1.57 2.43 -0.51 -2.35 114.38 116.31 2jpa h ARG 114 Ca 0.26 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2jpa h ARG 114 Cb 0.06 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2jpa h ARG 114 CO -0.12 0.41 0.01 1.25 -1.51 0.00 0.00 179.97 180.01 2jpa h HIS 115 N 0.31 -0.00 -0.99 2.20 2.76 -0.33 0.61 115.15 119.70 2jpa h HIS 115 Ca 0.09 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 2jpa h HIS 115 Cb 0.15 0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.10 2jpa h HIS 115 CO -0.01 -0.06 0.64 0.45 -1.30 0.00 0.00 177.93 177.65 2jpa h HIS 116 N 0.11 1.17 0.00 5.26 3.86 -0.99 0.07 115.15 124.64 2jpa h HIS 116 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2jpa h HIS 116 Cb 0.24 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2jpa h HIS 116 CO -0.25 0.58 0.00 -0.91 0.86 0.00 0.00 177.93 178.22 2jpa h ASN 117 N 1.12 0.00 -0.38 2.45 2.35 -0.38 -1.85 115.58 118.89 2jpa h ASN 117 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2jpa h ASN 117 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2jpa h ASN 117 CO -0.19 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.82 2jpa n MET 118 N -2.40 2.55 0.00 0.81 2.81 -0.15 -5.09 117.12 115.64 2jpa n MET 118 Ca 0.02 -2.08 0.13 0.00 -1.81 0.00 0.00 57.70 53.97 2jpa n MET 118 Cb 0.28 -1.34 0.79 0.00 -0.71 0.00 0.00 33.22 32.25 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06