#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 -1.68 0.18 0.00 3.41 -1.26 -5.02 113.62 109.26 2jpa n SER 2 Ca 0.00 -2.13 0.14 0.00 -0.26 0.00 0.00 58.87 56.62 2jpa n SER 2 Cb 0.00 2.79 0.53 0.00 -0.26 0.00 0.00 64.21 67.26 2jpa n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jpa h GLU 3 N 0.00 0.00 -6.01 4.33 5.08 -2.08 -3.41 114.58 112.49 2jpa h GLU 3 Ca -0.25 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.53 2jpa h GLU 3 Cb 0.92 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.07 2jpa h GLU 3 CO 0.31 0.00 0.80 0.21 -1.00 0.00 0.00 179.01 179.34 2jpa s LYS 4 N -3.40 3.22 -0.50 2.33 2.20 -1.26 -4.99 119.74 117.34 2jpa s LYS 4 Ca 0.04 -0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.16 2jpa s LYS 4 Cb 0.09 -4.16 0.13 0.00 -1.51 0.00 0.00 37.83 32.38 2jpa s LYS 4 CO 0.48 -1.88 0.40 1.03 -0.36 0.00 0.00 175.35 175.02 2jpa s ARG 5 N 4.82 2.64 0.50 4.03 3.00 -1.26 -4.91 118.95 127.77 2jpa s ARG 5 Ca 0.31 -1.78 0.27 0.00 0.00 0.00 0.00 55.73 54.53 2jpa s ARG 5 Cb -0.12 -4.04 1.28 0.00 0.00 0.00 0.00 34.95 32.07 2jpa s ARG 5 CO 0.15 -1.23 1.98 -1.00 0.00 0.00 0.00 175.30 175.20 2jpa h PRO 6 N 8.53 0.00 -6.21 3.54 0.13 -1.81 -3.43 132.00 132.75 2jpa h PRO 6 Ca -0.22 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.37 2jpa h PRO 6 Cb 1.08 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 2jpa h PRO 6 CO 0.90 0.15 -0.58 -0.06 -0.23 0.00 0.00 178.00 178.18 2jpa s PHE 7 N -3.92 2.96 0.08 1.56 0.08 -0.50 -4.98 117.98 113.26 2jpa s PHE 7 Ca -0.01 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2jpa s PHE 7 Cb 0.12 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 2jpa s PHE 7 CO 0.59 0.55 -0.06 0.00 -0.10 0.00 0.00 175.22 176.21 2jpa s MET 8 N -3.67 0.75 0.25 0.44 0.23 -1.26 -0.26 119.30 115.78 2jpa s MET 8 Ca 0.32 -1.23 -0.30 0.00 -1.03 0.00 0.00 55.69 53.45 2jpa s MET 8 Cb -0.08 -0.14 -0.09 0.00 -1.53 0.00 0.00 34.83 32.99 2jpa s MET 8 CO 0.23 -0.03 1.03 0.00 -2.03 0.00 0.00 175.02 174.22 2jpa n ALA 10 N 1.45 2.78 -2.52 0.00 0.00 -1.26 -3.66 120.51 117.29 2jpa n ALA 10 Ca -0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 2jpa n ALA 10 Cb 0.46 -1.13 -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 -2.20 3.45 0.10 0.00 5.04 -1.26 -4.91 117.35 117.58 2jpa s TYR 11 Ca 0.32 1.41 0.34 0.00 -2.44 0.00 0.00 57.07 56.70 2jpa s TYR 11 Cb 0.20 -3.32 1.53 0.00 0.35 0.00 0.00 41.96 40.72 2jpa s TYR 11 CO 0.41 -0.88 2.00 -1.00 -1.34 0.00 0.00 175.55 174.74 2jpa h PRO 12 N 6.95 0.00 -0.01 4.97 0.13 -2.00 -0.24 132.00 141.80 2jpa h PRO 12 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jpa h PRO 12 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jpa h PRO 12 CO 0.81 0.00 -0.08 0.41 -0.23 0.00 0.00 178.00 178.91 2jpa n GLY 13 N -0.32 -0.65 0.19 1.56 0.00 -1.26 -4.64 105.19 100.07 2jpa n GLY 13 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.27 -5.32 -4.79 0.00 3.02 -0.52 -4.97 115.26 101.41 2jpa n ASN 15 Ca 0.00 0.47 -0.28 0.00 -0.03 0.00 0.00 54.58 54.74 2jpa n ASN 15 Cb 0.00 -4.70 0.10 0.00 -0.61 0.00 0.00 39.78 34.57 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jpa s LYS 16 N -3.78 1.84 0.20 3.52 1.02 -1.26 -4.64 119.74 116.64 2jpa s LYS 16 Ca 0.00 -0.14 0.06 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 -1.58 0.14 1.03 -0.92 0.00 0.00 175.35 174.02 2jpa s ARG 17 N -5.49 2.84 0.18 1.68 1.81 -1.26 -0.01 118.95 118.71 2jpa s ARG 17 Ca 0.63 -0.97 -0.05 0.00 -1.72 0.00 0.00 55.73 53.62 2jpa s ARG 17 Cb -0.10 -2.58 -0.03 0.00 -0.45 0.00 0.00 34.95 31.80 2jpa s ARG 17 CO 0.48 0.45 0.21 0.71 -0.68 0.00 0.00 175.30 176.47 2jpa s TYR 18 N -1.89 0.77 -0.14 -0.53 2.02 0.64 -4.89 117.35 113.33 2jpa s TYR 18 Ca 0.31 -1.08 -0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2jpa s TYR 18 Cb -0.09 -0.29 -0.07 0.00 -0.40 0.00 0.00 41.96 41.11 2jpa s TYR 18 CO 0.23 -0.70 -0.15 1.19 -1.57 0.00 0.00 175.55 174.56 2jpa n PHE 19 N -0.24 0.00 -3.49 2.71 3.72 -1.26 -1.41 117.46 117.50 2jpa n PHE 19 Ca -0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 2jpa n PHE 19 Cb 0.64 -0.51 -0.09 0.00 -0.94 0.00 0.00 39.48 38.57 2jpa n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2jpa s LYS 20 N -2.27 4.05 0.25 -1.08 2.20 -1.26 -4.72 119.74 116.91 2jpa s LYS 20 Ca -0.19 -0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 55.30 2jpa s LYS 20 Cb 0.06 -3.61 0.48 0.00 -1.51 0.00 0.00 37.83 33.25 2jpa s LYS 20 CO 0.28 -0.13 1.64 1.25 -0.36 0.00 0.00 175.35 178.03 2jpa h LEU 21 N 8.12 -0.27 -0.20 5.43 5.85 -1.98 0.12 115.31 132.37 2jpa h LEU 21 Ca -0.35 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2jpa h LEU 21 Cb 1.17 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2jpa h LEU 21 CO 0.64 -0.16 -0.08 0.28 -0.34 0.00 0.00 178.44 178.78 2jpa h SER 22 N 0.13 0.42 0.35 1.25 0.02 -1.98 0.26 113.55 114.01 2jpa h SER 22 Ca 0.43 -0.40 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2jpa h SER 22 Cb 0.78 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2jpa h SER 22 CO -0.65 0.72 -0.34 1.12 -1.14 0.00 0.00 176.83 176.54 2jpa h HIS 23 N 0.12 0.00 -0.16 3.45 2.07 -1.76 0.20 115.15 119.07 2jpa h HIS 23 Ca 0.05 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.35 2jpa h HIS 23 Cb 0.55 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.54 2jpa h HIS 23 CO 0.06 0.34 -0.75 1.25 -3.07 0.00 0.00 177.93 175.76 2jpa h LEU 24 N 0.00 0.88 -0.80 6.12 7.12 -0.71 -1.51 115.31 126.41 2jpa h LEU 24 Ca -0.00 -0.57 0.04 0.00 0.13 0.00 0.00 57.88 57.48 2jpa h LEU 24 Cb 0.61 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.43 2jpa h LEU 24 CO 0.04 1.36 0.50 -0.61 -0.13 0.00 0.00 178.44 179.61 2jpa h GLN 25 N 0.52 0.93 -0.49 1.25 -0.00 0.58 0.45 115.11 118.35 2jpa h GLN 25 Ca -0.04 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.52 2jpa h GLN 25 Cb 1.37 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 2jpa h GLN 25 CO 0.15 0.61 0.17 1.98 0.00 0.00 0.00 178.83 181.75 2jpa h MET 26 N 0.96 0.75 -0.66 1.69 4.05 -0.59 -2.56 114.93 118.58 2jpa h MET 26 Ca 0.33 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 2jpa h MET 26 Cb 0.08 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 2jpa h MET 26 CO -0.14 0.70 0.44 1.25 0.23 0.00 0.00 176.91 179.38 2jpa h HIS 27 N 0.66 0.70 -0.55 1.39 -0.00 -0.16 -1.30 115.15 115.89 2jpa h HIS 27 Ca 0.16 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2jpa h HIS 27 Cb 0.24 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 2jpa h HIS 27 CO 0.01 0.38 0.36 0.66 -0.00 0.00 0.00 177.93 179.35 2jpa h SER 28 N 0.70 0.56 -0.90 3.26 4.64 -0.52 -1.28 113.55 120.02 2jpa h SER 28 Ca 0.28 -0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.69 2jpa h SER 28 Cb 0.21 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 2jpa h SER 28 CO -0.08 0.39 0.58 0.03 -0.87 0.00 0.00 176.83 176.88 2jpa h ARG 29 N 0.66 0.85 -0.65 4.77 2.47 -1.20 0.43 114.38 121.71 2jpa h ARG 29 Ca 0.22 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 2jpa h ARG 29 Cb 0.06 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.13 2jpa h ARG 29 CO -0.06 0.57 0.34 -0.22 0.56 0.00 0.00 179.97 181.16 2jpa h LYS 30 N 0.88 0.60 0.00 0.04 3.11 -1.33 -2.62 116.57 117.25 2jpa h LYS 30 Ca 0.42 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 58.21 2jpa h LYS 30 Cb 0.44 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2jpa h LYS 30 CO -0.19 0.40 -0.08 0.45 -2.81 0.00 0.00 179.45 177.22 2jpa h HIS 31 N 0.62 0.00 -0.89 1.91 3.86 -0.98 -2.51 115.15 117.15 2jpa h HIS 31 Ca 0.30 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.64 2jpa h HIS 31 Cb 0.23 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.61 2jpa h HIS 31 CO -0.09 0.08 0.51 1.79 0.86 0.00 0.00 177.93 181.08 2jpa h THR 32 N 0.00 0.82 -0.47 2.45 1.35 -1.22 0.22 112.91 116.06 2jpa h THR 32 Ca -0.00 -0.27 0.12 0.00 -0.55 0.00 0.00 66.41 65.72 2jpa h THR 32 Cb 0.69 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 2jpa h THR 32 CO 0.01 0.14 0.33 1.23 -0.25 0.00 0.00 175.52 176.99 2jpa h GLY 33 N 0.78 0.12 -3.30 5.82 0.00 -1.56 -1.83 103.07 103.10 2jpa h GLY 33 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2jpa h GLY 33 CO -0.31 0.02 0.00 1.18 0.00 0.00 0.00 176.54 177.43 2jpa n GLU 34 N -4.42 4.40 -3.71 4.80 1.02 0.73 -4.71 120.64 118.74 2jpa n GLU 34 Ca 0.08 -2.91 -0.35 0.00 -0.02 0.00 0.00 57.16 53.96 2jpa n GLU 34 Cb 0.49 -2.13 -0.08 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.43 2.92 -1.00 3.49 2.36 -0.69 -5.04 119.74 119.34 2jpa s LYS 35 Ca 0.51 -3.08 -0.23 0.00 -2.55 0.00 0.00 55.97 50.62 2jpa s LYS 35 Cb 0.37 -3.79 0.01 0.00 -1.05 0.00 0.00 37.83 33.37 2jpa s LYS 35 CO 0.17 -1.24 1.68 -1.25 1.55 0.00 0.00 175.35 176.27 2jpa s PRO 36 N -1.00 3.17 -0.67 4.03 0.04 -1.26 -3.77 135.00 135.54 2jpa s PRO 36 Ca 0.24 -0.87 -0.27 0.00 0.04 0.00 0.00 61.00 60.14 2jpa s PRO 36 Cb -0.11 -5.25 0.01 0.00 0.04 0.00 0.00 34.50 29.18 2jpa s PRO 36 CO -0.10 -2.74 1.54 0.71 0.04 0.00 0.00 177.00 176.45 2jpa s TYR 37 N 7.15 2.02 0.19 0.56 2.02 0.14 -4.76 117.35 124.67 2jpa s TYR 37 Ca 0.57 0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 57.46 2jpa s TYR 37 Cb -0.02 -4.38 -0.08 0.00 -0.40 0.00 0.00 41.96 37.09 2jpa s TYR 37 CO -0.04 -2.17 0.64 -1.14 -1.57 0.00 0.00 175.55 171.26 2jpa s GLN 38 N 6.26 4.11 0.59 -0.62 0.74 -1.26 -0.87 119.66 128.61 2jpa s GLN 38 Ca 0.51 0.67 -0.20 0.00 0.05 0.00 0.00 55.36 56.39 2jpa s GLN 38 Cb -0.10 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 2jpa s GLN 38 CO 0.18 0.43 1.30 0.00 -0.55 0.00 0.00 175.29 176.66 2jpa n ASP 40 N -1.44 2.50 -4.73 0.00 2.03 -1.26 -4.72 116.55 108.93 2jpa n ASP 40 Ca 0.13 -1.75 -0.41 0.00 0.52 0.00 0.00 54.79 53.28 2jpa n ASP 40 Cb 0.47 0.11 0.01 0.00 -0.72 0.00 0.00 41.12 40.99 2jpa n ASP 40 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jpa n PHE 41 N 0.86 2.39 0.25 -0.67 7.35 -1.26 -4.85 117.46 121.53 2jpa n PHE 41 Ca 0.11 0.48 0.07 0.00 -0.76 0.00 0.00 57.45 57.35 2jpa n PHE 41 Cb 0.49 -2.42 0.32 0.00 0.35 0.00 0.00 39.48 38.22 2jpa n PHE 41 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2jpa n LYS 42 N 0.06 0.07 -1.96 -4.13 4.01 -1.26 -2.21 118.16 112.74 2jpa n LYS 42 Ca 0.05 0.45 -0.02 0.00 -0.51 0.00 0.00 58.31 58.29 2jpa n LYS 42 Cb 0.40 -1.68 0.06 0.00 -0.51 0.00 0.00 35.03 33.29 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2jpa n ASP 43 N -1.83 1.95 -4.27 4.39 8.00 -1.26 -5.08 116.55 118.45 2jpa n ASP 43 Ca 0.01 -2.56 -0.15 0.00 0.71 0.00 0.00 54.79 52.80 2jpa n ASP 43 Cb 0.10 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.30 0.00 -2.59 0.00 2.13 -1.26 -4.78 120.64 113.83 2jpa n GLU 45 Ca -0.06 -0.23 -0.40 0.00 0.66 0.00 0.00 57.16 57.13 2jpa n GLU 45 Cb 0.63 -0.12 -0.05 0.00 0.27 0.00 0.00 31.44 32.18 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 4.72 -0.05 5.31 3.00 -1.26 -4.83 118.95 125.85 2jpa s ARG 46 Ca 0.00 1.66 0.04 0.00 0.00 0.00 0.00 55.73 57.44 2jpa s ARG 46 Cb 0.00 -3.24 -0.00 0.00 0.00 0.00 0.00 34.95 31.71 2jpa s ARG 46 CO 0.00 0.31 -0.18 -0.98 0.00 0.00 0.00 175.30 174.45 2jpa s ARG 47 N -1.16 1.91 -0.03 3.54 3.03 -1.26 -0.71 118.95 124.27 2jpa s ARG 47 Ca 0.44 -0.64 0.07 0.00 2.03 0.00 0.00 55.73 57.62 2jpa s ARG 47 Cb -0.29 -1.64 -0.02 0.00 -1.03 0.00 0.00 34.95 31.97 2jpa s ARG 47 CO 0.36 0.24 -0.23 -0.06 -1.13 0.00 0.00 175.30 174.49 2jpa s PHE 48 N 0.07 2.43 -0.14 5.89 0.40 -0.05 -4.87 117.98 121.71 2jpa s PHE 48 Ca -0.05 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 2jpa s PHE 48 Cb -0.12 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.88 2jpa s PHE 48 CO 0.03 -0.01 2.38 0.43 0.70 0.00 0.00 175.22 178.75 2jpa n SER 49 N 2.48 5.78 -3.64 1.36 7.64 -1.26 -0.68 113.62 125.29 2jpa n SER 49 Ca -0.16 -2.70 -0.03 0.00 1.01 0.00 0.00 58.87 56.99 2jpa n SER 49 Cb 0.51 -1.17 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 2jpa n SER 49 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jpa s ARG 50 N -0.53 0.07 0.17 1.43 0.52 -1.25 -4.20 118.95 115.17 2jpa s ARG 50 Ca 0.27 0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.40 2jpa s ARG 50 Cb 0.17 0.04 0.07 0.00 0.52 0.00 0.00 34.95 35.74 2jpa s ARG 50 CO -0.02 -0.02 1.83 0.66 0.02 0.00 0.00 175.30 177.77 2jpa h SER 51 N 2.72 0.63 -0.10 0.23 4.64 -1.89 -1.65 113.55 118.12 2jpa h SER 51 Ca -0.20 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 2jpa h SER 51 Cb 1.19 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2jpa h SER 51 CO 0.20 0.47 -0.13 -2.24 -0.87 0.00 0.00 176.83 174.26 2jpa h ASP 52 N 0.73 0.43 -0.33 4.97 2.03 -1.97 0.85 116.42 123.13 2jpa h ASP 52 Ca 0.20 -0.11 -0.10 0.00 -0.73 0.00 0.00 57.03 56.29 2jpa h ASP 52 Cb -0.06 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.32 2jpa h ASP 52 CO -0.04 0.59 -0.19 1.56 -1.03 0.00 0.00 179.24 180.14 2jpa h GLN 53 N 0.41 0.70 -0.44 4.15 1.08 -1.83 0.37 115.11 119.56 2jpa h GLN 53 Ca 0.08 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2jpa h GLN 53 Cb 0.48 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2jpa h GLN 53 CO 0.03 0.92 0.23 1.25 -0.95 0.00 0.00 178.83 180.31 2jpa h LEU 54 N 0.47 0.56 -1.10 1.46 5.85 -1.09 0.60 115.31 122.07 2jpa h LEU 54 Ca 0.07 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2jpa h LEU 54 Cb 0.73 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2jpa h LEU 54 CO 0.05 0.51 0.20 0.11 -0.34 0.00 0.00 178.44 178.98 2jpa h LYS 55 N 0.57 0.84 -0.30 1.25 1.57 -0.62 0.10 116.57 119.99 2jpa h LYS 55 Ca 0.15 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2jpa h LYS 55 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2jpa h LYS 55 CO -0.02 0.71 0.09 -0.09 -0.57 0.00 0.00 179.45 179.56 2jpa h ARG 56 N 0.82 0.47 -0.67 3.15 2.43 -0.01 -3.01 114.38 117.57 2jpa h ARG 56 Ca 0.19 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2jpa h ARG 56 Cb 0.20 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2jpa h ARG 56 CO -0.01 0.53 0.40 1.25 -1.51 0.00 0.00 179.97 180.62 2jpa h HIS 57 N 0.33 0.88 -0.80 2.20 2.76 -0.15 -1.69 115.15 118.68 2jpa h HIS 57 Ca 0.10 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.44 2jpa h HIS 57 Cb 0.26 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 2jpa h HIS 57 CO 0.01 0.59 0.54 1.96 -1.30 0.00 0.00 177.93 179.72 2jpa h GLN 58 N 0.92 0.33 -0.66 5.26 1.08 -0.68 0.04 115.11 121.40 2jpa h GLN 58 Ca 0.24 -0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.55 2jpa h GLN 58 Cb -0.03 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 2jpa h GLN 58 CO -0.04 0.22 0.44 0.00 -0.95 0.00 0.00 178.83 178.50 2jpa h ARG 59 N 0.34 0.32 -0.85 1.46 2.47 -1.34 0.19 114.38 116.96 2jpa h ARG 59 Ca 0.40 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2jpa h ARG 59 Cb 1.05 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 2jpa h ARG 59 CO -0.12 0.21 0.52 -0.09 0.56 0.00 0.00 179.97 181.05 2jpa h ARG 60 N 0.33 1.15 0.06 0.04 2.43 -1.13 0.33 114.38 117.58 2jpa h ARG 60 Ca 0.31 -0.10 -0.34 0.00 -0.81 0.00 0.00 59.98 59.05 2jpa h ARG 60 Cb 0.78 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 2jpa h ARG 60 CO -0.08 0.79 -1.92 0.72 -1.51 0.00 0.00 179.97 177.97 2jpa n HIS 61 N -4.37 1.05 0.18 2.20 8.25 -0.06 -4.13 115.22 118.33 2jpa n HIS 61 Ca 0.09 0.28 0.07 0.00 -0.26 0.00 0.00 57.72 57.90 2jpa n HIS 61 Cb 0.06 -1.16 0.15 0.00 1.12 0.00 0.00 29.99 30.16 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 0.04 0.57 0.00 1.59 1.35 -0.73 -3.47 112.91 112.25 2jpa h THR 62 Ca -0.38 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 2jpa h THR 62 Cb 2.03 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.64 2jpa h THR 62 CO 0.07 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2jpa n GLY 63 N 0.99 0.77 3.67 5.82 0.00 0.10 -4.98 105.19 111.56 2jpa n GLY 63 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2jpa n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jpa s VAL 64 N -3.30 4.01 -0.52 1.61 1.01 -1.23 -4.99 120.40 117.00 2jpa s VAL 64 Ca 0.00 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.28 2jpa s VAL 64 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.70 2jpa s VAL 64 CO 0.00 -0.09 0.29 -0.54 0.00 0.00 0.00 175.10 174.76 2jpa s LYS 65 N 3.41 1.85 0.31 2.72 1.02 -1.26 -4.70 119.74 123.09 2jpa s LYS 65 Ca 0.61 -2.56 0.24 0.00 0.02 0.00 0.00 55.97 54.28 2jpa s LYS 65 Cb -0.26 -3.04 0.40 0.00 -0.52 0.00 0.00 37.83 34.41 2jpa s LYS 65 CO 0.21 -1.15 1.53 -1.00 -0.92 0.00 0.00 175.35 174.02 2jpa h PRO 66 N 6.38 0.00 -5.61 -1.68 0.13 -1.84 -3.39 132.00 125.99 2jpa h PRO 66 Ca -0.02 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.47 2jpa h PRO 66 Cb 0.88 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.88 2jpa h PRO 66 CO 0.63 0.00 1.05 -0.06 -0.23 0.00 0.00 178.00 179.39 2jpa s PHE 67 N -3.20 2.75 -0.05 1.56 0.08 -0.45 -4.93 117.98 113.74 2jpa s PHE 67 Ca 0.07 -0.93 -0.18 0.00 0.12 0.00 0.00 56.93 56.01 2jpa s PHE 67 Cb 0.08 -4.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.02 2jpa s PHE 67 CO 0.68 -1.73 0.50 -1.14 -0.10 0.00 0.00 175.22 173.42 2jpa s GLN 68 N 4.03 4.24 0.15 0.44 0.74 -1.26 -0.25 119.66 127.74 2jpa s GLN 68 Ca 0.36 0.54 -0.31 0.00 0.05 0.00 0.00 55.36 55.99 2jpa s GLN 68 Cb -0.05 -3.35 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 2jpa s GLN 68 CO -0.04 0.36 1.56 0.00 -0.55 0.00 0.00 175.29 176.61 2jpa h LYS 70 N 6.92 0.00 0.00 0.00 1.63 -1.96 -2.25 116.57 120.91 2jpa h LYS 70 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2jpa h LYS 70 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2jpa h LYS 70 CO 0.91 0.01 0.00 2.41 -3.45 0.00 0.00 179.45 179.33 2jpa n THR 71 N -3.11 0.00 1.36 1.00 -1.04 -1.26 -4.63 114.28 106.59 2jpa n THR 71 Ca 0.00 0.37 0.13 0.00 -2.04 0.00 0.00 64.05 62.51 2jpa n THR 71 Cb 0.29 -1.23 0.44 0.00 -1.82 0.00 0.00 70.33 68.00 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 -0.23 -1.19 -0.96 0.00 1.13 -0.84 -5.00 117.38 110.29 2jpa n GLN 73 Ca 0.15 1.03 -0.30 0.00 -1.94 0.00 0.00 57.00 55.94 2jpa n GLN 73 Cb 0.36 -5.28 0.16 0.00 0.11 0.00 0.00 30.24 25.59 2jpa n GLN 73 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2jpa s ARG 74 N -3.69 0.99 -0.05 -1.09 0.52 -1.26 -4.67 118.95 109.70 2jpa s ARG 74 Ca 0.00 1.09 0.05 0.00 -0.52 0.00 0.00 55.73 56.35 2jpa s ARG 74 Cb 0.00 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.71 2jpa s ARG 74 CO 0.00 -2.50 -0.20 0.15 0.02 0.00 0.00 175.30 172.77 2jpa s LYS 75 N -4.77 2.10 0.17 3.54 -0.14 -1.26 -0.20 119.74 119.18 2jpa s LYS 75 Ca 0.65 -0.73 0.06 0.00 -1.36 0.00 0.00 55.97 54.59 2jpa s LYS 75 Cb -0.20 -1.80 -0.04 0.00 -1.68 0.00 0.00 37.83 34.11 2jpa s LYS 75 CO 0.58 0.29 -0.12 -0.06 -0.76 0.00 0.00 175.35 175.28 2jpa s PHE 76 N -0.03 1.47 -1.97 3.18 0.08 0.65 -4.99 117.98 116.37 2jpa s PHE 76 Ca -0.04 -0.66 0.19 0.00 0.12 0.00 0.00 56.93 56.55 2jpa s PHE 76 Cb -0.12 -0.72 0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2jpa s PHE 76 CO 0.03 0.21 1.01 -1.13 -0.10 0.00 0.00 175.22 175.24 2jpa n SER 77 N -0.18 2.08 -3.83 1.36 3.41 -1.26 -1.35 113.62 113.85 2jpa n SER 77 Ca -0.10 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 56.81 2jpa n SER 77 Cb 0.60 0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 64.72 2jpa n SER 77 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jpa s ARG 78 N -2.00 0.24 0.33 4.33 0.52 -1.26 -4.88 118.95 116.23 2jpa s ARG 78 Ca 0.18 0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 2jpa s ARG 78 Cb 0.16 -0.39 0.56 0.00 0.52 0.00 0.00 34.95 35.80 2jpa s ARG 78 CO 0.41 -0.10 1.88 0.66 0.02 0.00 0.00 175.30 178.17 2jpa h SER 79 N 7.00 0.58 -0.19 0.23 4.64 -1.97 -1.18 113.55 122.65 2jpa h SER 79 Ca -0.40 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 2jpa h SER 79 Cb 1.15 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2jpa h SER 79 CO 0.48 0.60 -0.12 -2.24 -0.87 0.00 0.00 176.83 174.69 2jpa h ASP 80 N 0.60 0.56 -0.25 4.97 2.03 -1.98 0.14 116.42 122.49 2jpa h ASP 80 Ca 0.13 -0.15 -0.12 0.00 -0.73 0.00 0.00 57.03 56.17 2jpa h ASP 80 Cb 0.28 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2jpa h ASP 80 CO 0.00 0.71 -0.30 0.45 -1.03 0.00 0.00 179.24 179.07 2jpa h HIS 81 N 0.53 0.80 -0.15 4.15 3.86 -1.86 -1.20 115.15 121.27 2jpa h HIS 81 Ca 0.10 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 2jpa h HIS 81 Cb 0.52 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2jpa h HIS 81 CO 0.02 0.99 0.02 1.25 0.86 0.00 0.00 177.93 181.07 2jpa h LEU 82 N 0.37 0.25 -1.21 2.43 6.46 -0.92 0.33 115.31 123.02 2jpa h LEU 82 Ca 0.03 -0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.48 2jpa h LEU 82 Cb 0.88 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2jpa h LEU 82 CO 0.07 0.45 0.06 0.50 -0.62 0.00 0.00 178.44 178.91 2jpa h LYS 83 N 0.03 0.61 -0.04 1.25 3.64 -0.80 0.41 116.57 121.68 2jpa h LYS 83 Ca 0.05 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jpa h LYS 83 Cb 0.31 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jpa h LYS 83 CO 0.00 0.59 0.01 1.15 -2.27 0.00 0.00 179.45 178.93 2jpa h THR 84 N 0.59 1.21 -0.31 1.00 2.02 -0.98 -2.95 112.91 113.49 2jpa h THR 84 Ca 0.13 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2jpa h THR 84 Cb 0.28 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2jpa h THR 84 CO 0.00 0.17 0.08 -0.74 0.37 0.00 0.00 175.52 175.40 2jpa h HIS 85 N -0.18 0.45 -0.90 3.16 -0.00 0.05 -1.49 115.15 116.24 2jpa h HIS 85 Ca 0.01 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.46 2jpa h HIS 85 Cb 0.27 -0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 27.46 2jpa h HIS 85 CO 0.01 0.40 0.55 1.15 -0.00 0.00 0.00 177.93 180.04 2jpa h THR 86 N 0.45 0.94 0.00 6.26 2.02 -0.03 0.09 112.91 122.64 2jpa h THR 86 Ca 0.11 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2jpa h THR 86 Cb 0.17 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2jpa h THR 86 CO -0.00 0.17 -0.08 0.03 0.37 0.00 0.00 175.52 176.00 2jpa h ARG 87 N 0.91 0.00 -0.12 6.66 3.08 -1.11 0.56 114.38 124.37 2jpa h ARG 87 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.38 2jpa h ARG 87 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2jpa h ARG 87 CO -0.24 0.08 -0.39 1.79 -1.07 0.00 0.00 179.97 180.14 2jpa h THR 88 N 0.00 1.30 0.00 2.04 1.35 -0.99 0.60 112.91 117.21 2jpa h THR 88 Ca -0.00 -1.48 -0.11 0.00 -0.55 0.00 0.00 66.41 64.28 2jpa h THR 88 Cb 0.31 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2jpa h THR 88 CO 0.01 0.44 -0.87 0.45 -0.25 0.00 0.00 175.52 175.31 2jpa h HIS 89 N 0.22 0.00 -0.01 4.73 3.86 -1.09 -3.32 115.15 119.54 2jpa h HIS 89 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2jpa h HIS 89 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 2jpa h HIS 89 CO 0.01 0.42 -0.36 2.41 0.86 0.00 0.00 177.93 181.27 2jpa n THR 90 N -3.02 0.00 -1.26 2.45 -1.04 0.05 -4.94 114.28 106.52 2jpa n THR 90 Ca -0.02 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 61.78 2jpa n THR 90 Cb 0.73 0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 69.70 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 0.92 3.56 3.41 0.00 0.14 -4.92 105.19 109.69 2jpa n GLY 91 Ca 0.10 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.64 3.18 -0.65 1.61 2.12 -0.84 -4.94 118.70 116.55 2jpa s GLU 92 Ca 0.00 -0.06 0.05 0.00 0.36 0.00 0.00 54.97 55.31 2jpa s GLU 92 Cb 0.00 -4.18 0.16 0.00 0.26 0.00 0.00 34.13 30.38 2jpa s GLU 92 CO 0.00 -2.14 0.44 0.15 -0.54 0.00 0.00 175.26 173.17 2jpa s LYS 93 N 5.76 2.23 0.18 4.30 1.02 -1.26 -4.35 119.74 127.61 2jpa s LYS 93 Ca 0.40 -3.11 0.25 0.00 0.02 0.00 0.00 55.97 53.53 2jpa s LYS 93 Cb -0.09 -3.21 0.48 0.00 -0.52 0.00 0.00 37.83 34.50 2jpa s LYS 93 CO 0.17 -1.27 1.48 -1.00 -0.92 0.00 0.00 175.35 173.82 2jpa h PRO 94 N 5.61 0.00 -5.12 -1.68 0.13 -1.82 -3.39 132.00 125.73 2jpa h PRO 94 Ca 0.12 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.54 2jpa h PRO 94 Cb 0.79 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.80 2jpa h PRO 94 CO 0.68 0.00 1.94 1.19 -0.23 0.00 0.00 178.00 181.58 2jpa n PHE 95 N -2.27 4.58 -2.73 1.56 3.72 -0.26 -4.90 117.46 117.15 2jpa n PHE 95 Ca 0.04 -3.05 -0.36 0.00 -0.05 0.00 0.00 57.45 54.03 2jpa n PHE 95 Cb 0.45 -2.41 -0.06 0.00 -0.94 0.00 0.00 39.48 36.52 2jpa n PHE 95 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jpa s SER 96 N 3.36 7.11 0.79 4.37 0.15 -1.26 -0.92 113.70 127.30 2jpa s SER 96 Ca 0.48 1.85 -0.11 0.00 0.70 0.00 0.00 55.95 58.87 2jpa s SER 96 Cb 0.03 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 2jpa s SER 96 CO 0.03 -0.23 1.09 0.00 1.20 0.00 0.00 173.24 175.33 2jpa n ARG 98 N -3.56 0.28 -1.89 0.00 3.00 -1.26 -4.78 116.66 108.45 2jpa n ARG 98 Ca 0.08 -0.58 -0.38 0.00 -0.01 0.00 0.00 57.85 56.97 2jpa n ARG 98 Cb 0.54 -0.78 0.03 0.00 0.00 0.00 0.00 32.46 32.24 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2jpa s TRP 99 N -0.21 2.44 -1.68 -1.55 0.52 -1.26 -4.87 118.94 112.33 2jpa s TRP 99 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.52 2jpa s TRP 99 Cb 0.00 -3.72 0.00 0.00 -1.15 0.00 0.00 33.47 28.60 2jpa s TRP 99 CO 0.00 -2.59 0.52 -0.35 0.02 0.00 0.00 176.95 174.55 2jpa n PRO 100 N -0.81 0.61 -0.39 4.98 -0.04 -1.26 -1.99 135.00 136.10 2jpa n PRO 100 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2jpa n PRO 100 Cb 0.45 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2jpa n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jpa n SER 101 N -0.28 0.00 -4.32 3.54 2.88 -1.26 -5.12 113.62 109.06 2jpa n SER 101 Ca 0.00 -1.64 -0.21 0.00 -1.33 0.00 0.00 58.87 55.69 2jpa n SER 101 Cb 0.05 -0.13 -0.10 0.00 -0.75 0.00 0.00 64.21 63.28 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpa n GLN 103 N -0.66 0.00 -2.93 0.00 0.00 -1.26 -4.77 117.38 107.75 2jpa n GLN 103 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 57.00 56.26 2jpa n GLN 103 Cb 0.66 0.33 -0.02 0.00 0.00 0.00 0.00 30.24 31.21 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jpa s LYS 104 N 0.00 3.69 0.06 2.61 3.01 -1.26 -4.89 119.74 122.96 2jpa s LYS 104 Ca 0.00 0.28 0.06 0.00 -1.01 0.00 0.00 55.97 55.30 2jpa s LYS 104 Cb 0.00 -2.45 -0.03 0.00 -1.01 0.00 0.00 37.83 34.34 2jpa s LYS 104 CO 0.00 -0.01 -0.16 0.15 0.51 0.00 0.00 175.35 175.83 2jpa s LYS 105 N -3.99 0.99 0.13 1.68 3.01 -1.26 -0.53 119.74 119.78 2jpa s LYS 105 Ca 0.48 -0.93 0.04 0.00 -1.01 0.00 0.00 55.97 54.56 2jpa s LYS 105 Cb -0.10 -1.06 -0.04 0.00 -1.01 0.00 0.00 37.83 35.61 2jpa s LYS 105 CO 0.34 0.25 -0.10 -0.06 0.51 0.00 0.00 175.35 176.29 2jpa s PHE 106 N -1.05 1.21 -2.75 3.18 0.08 -0.10 -4.95 117.98 113.61 2jpa s PHE 106 Ca 0.02 -0.74 0.25 0.00 0.12 0.00 0.00 56.93 56.58 2jpa s PHE 106 Cb -0.09 -0.63 0.39 0.00 -0.57 0.00 0.00 43.02 42.12 2jpa s PHE 106 CO 0.02 0.06 1.36 0.00 -0.10 0.00 0.00 175.22 176.56 2jpa n ALA 107 N -0.03 2.62 -2.75 5.36 0.00 -1.26 -1.10 120.51 123.34 2jpa n ALA 107 Ca -0.12 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.54 2jpa n ALA 107 Cb 0.60 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.07 0.53 0.13 0.00 0.52 -1.26 -4.87 118.95 111.93 2jpa s ARG 108 Ca 0.29 -0.34 -0.20 0.00 -0.52 0.00 0.00 55.73 54.96 2jpa s ARG 108 Cb 0.20 -0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.16 2jpa s ARG 108 CO 0.34 0.12 1.73 0.66 0.02 0.00 0.00 175.30 178.17 2jpa h SER 109 N 5.69 -0.05 -0.18 0.23 4.64 -1.96 -1.83 113.55 120.09 2jpa h SER 109 Ca -0.30 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 2jpa h SER 109 Cb 1.19 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2jpa h SER 109 CO 0.48 0.00 -0.00 -2.24 -0.87 0.00 0.00 176.83 174.20 2jpa h ASP 110 N 0.08 0.40 -0.59 4.97 2.03 -1.98 0.13 116.42 121.45 2jpa h ASP 110 Ca 0.09 -0.07 -0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2jpa h ASP 110 Cb 0.10 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 2jpa h ASP 110 CO -0.14 0.47 0.36 -0.33 -1.03 0.00 0.00 179.24 178.57 2jpa h GLU 111 N 0.42 0.80 -0.56 4.15 5.08 -1.85 0.21 114.58 122.83 2jpa h GLU 111 Ca 0.09 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2jpa h GLU 111 Cb 0.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2jpa h GLU 111 CO 0.01 0.57 0.04 1.25 -1.00 0.00 0.00 179.01 179.88 2jpa h LEU 112 N 0.80 0.94 -0.34 1.33 5.85 -0.48 0.13 115.31 123.54 2jpa h LEU 112 Ca 0.21 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2jpa h LEU 112 Cb -0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2jpa h LEU 112 CO -0.04 0.99 0.16 0.58 -0.34 0.00 0.00 178.44 179.79 2jpa h VAL 113 N 0.86 0.98 -0.29 1.05 2.07 -0.41 0.13 116.25 120.63 2jpa h VAL 113 Ca 0.17 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2jpa h VAL 113 Cb 0.49 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2jpa h VAL 113 CO 0.02 0.06 0.15 -0.09 0.02 0.00 0.00 177.57 177.73 2jpa h ARG 114 N 0.34 0.41 -0.34 1.57 2.43 -0.41 -1.99 114.38 116.38 2jpa h ARG 114 Ca 0.14 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2jpa h ARG 114 Cb 0.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2jpa h ARG 114 CO -0.10 0.38 0.13 1.25 -1.51 0.00 0.00 179.97 180.11 2jpa h HIS 115 N 0.34 0.24 -0.57 2.20 2.76 -0.37 0.12 115.15 119.87 2jpa h HIS 115 Ca 0.10 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 2jpa h HIS 115 Cb 0.09 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 2jpa h HIS 115 CO -0.03 0.11 0.38 0.45 -1.30 0.00 0.00 177.93 177.55 2jpa h HIS 116 N 0.29 0.45 0.00 5.26 3.86 -0.59 0.53 115.15 124.94 2jpa h HIS 116 Ca 0.15 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jpa h HIS 116 Cb 0.11 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2jpa h HIS 116 CO -0.13 0.22 0.00 -0.97 0.86 0.00 0.00 177.93 177.91 2jpa h ASN 117 N 0.43 0.00 1.29 2.45 -0.00 -0.20 -1.31 115.58 118.25 2jpa h ASN 117 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.56 2jpa h ASN 117 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 2jpa h ASN 117 CO -0.07 0.00 -0.32 0.24 -0.00 0.00 0.00 177.43 177.27 2jpa h MET 118 N 0.00 0.00 -0.01 6.67 2.86 -0.61 -3.51 114.93 120.33 2jpa h MET 118 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jpa h MET 118 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2jpa h MET 118 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69