#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 3.10 -2.70 0.00 3.41 -1.26 -4.39 113.62 111.77 2jpa n SER 2 Ca 0.00 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.30 2jpa n SER 2 Cb 0.00 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2jpa n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jpa n GLU 3 N 0.54 3.40 0.17 4.33 4.71 -1.26 -0.38 120.64 132.15 2jpa n GLU 3 Ca 0.00 -4.45 0.03 0.00 -0.01 0.00 0.00 57.16 52.73 2jpa n GLU 3 Cb 0.50 -2.26 0.28 0.00 -1.01 0.00 0.00 31.44 28.95 2jpa n GLU 3 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2jpa h LYS 4 N 2.81 0.00 -3.07 3.49 6.56 -1.81 -3.47 116.57 121.07 2jpa h LYS 4 Ca 0.32 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.92 2jpa h LYS 4 Cb 0.67 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.24 2jpa h LYS 4 CO 0.94 0.45 0.17 -0.98 -2.06 0.00 0.00 179.45 177.98 2jpa s ARG 5 N -3.62 1.49 0.54 3.15 1.70 -1.26 -5.16 118.95 115.78 2jpa s ARG 5 Ca -0.00 -0.75 -0.20 0.00 -0.47 0.00 0.00 55.73 54.30 2jpa s ARG 5 Cb 0.12 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 35.02 2jpa s ARG 5 CO 0.71 -0.66 1.15 -1.25 -1.08 0.00 0.00 175.30 174.17 2jpa s PRO 6 N -3.84 3.34 0.13 3.89 0.04 -1.26 -4.79 135.00 132.51 2jpa s PRO 6 Ca 0.07 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2jpa s PRO 6 Cb -0.03 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2jpa s PRO 6 CO -0.03 -0.87 -0.10 -0.06 0.04 0.00 0.00 177.00 175.98 2jpa s PHE 7 N -1.72 1.17 0.06 0.56 0.40 -0.26 -5.00 117.98 113.20 2jpa s PHE 7 Ca 0.73 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2jpa s PHE 7 Cb -0.25 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 2jpa s PHE 7 CO 0.29 0.04 -0.07 -1.64 0.70 0.00 0.00 175.22 174.54 2jpa s MET 8 N -3.49 0.65 0.40 0.44 -1.94 -1.26 -0.04 119.30 114.05 2jpa s MET 8 Ca 0.13 -1.03 -0.26 0.00 -1.71 0.00 0.00 55.69 52.82 2jpa s MET 8 Cb 0.01 -0.19 -0.09 0.00 2.01 0.00 0.00 34.83 36.58 2jpa s MET 8 CO -0.00 0.00 1.31 0.00 -0.01 0.00 0.00 175.02 176.32 2jpa n ALA 10 N 0.21 2.44 -2.13 0.00 0.00 -1.26 -4.58 120.51 115.18 2jpa n ALA 10 Ca 0.03 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 2jpa n ALA 10 Cb 0.43 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.61 2.59 -0.63 0.00 5.04 -1.26 -4.91 117.35 116.57 2jpa s TYR 11 Ca 0.37 0.60 -0.27 0.00 -2.44 0.00 0.00 57.07 55.33 2jpa s TYR 11 Cb 0.22 -3.77 -0.11 0.00 0.35 0.00 0.00 41.96 38.65 2jpa s TYR 11 CO 0.31 -2.97 2.50 -2.30 -1.34 0.00 0.00 175.55 171.75 2jpa n PRO 12 N 5.84 0.75 0.00 4.97 -0.02 -1.26 -0.32 135.00 144.96 2jpa n PRO 12 Ca 0.15 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2jpa n PRO 12 Cb 0.43 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 2jpa n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jpa n GLY 13 N 6.15 1.01 3.91 -1.23 0.00 -1.26 -5.11 105.19 108.66 2jpa n GLY 13 Ca 0.45 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.31 -0.27 -4.75 0.00 2.85 -1.26 -4.82 115.26 103.70 2jpa n ASN 15 Ca 0.09 -1.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.16 2jpa n ASN 15 Cb 0.61 0.08 -0.04 0.00 1.24 0.00 0.00 39.78 41.66 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jpa s LYS 16 N 0.00 4.64 0.13 1.20 3.01 -1.26 -4.76 119.74 122.70 2jpa s LYS 16 Ca 0.00 1.77 0.00 0.00 -1.01 0.00 0.00 55.97 56.73 2jpa s LYS 16 Cb 0.00 -3.21 -0.04 0.00 -1.01 0.00 0.00 37.83 33.57 2jpa s LYS 16 CO 0.00 0.20 0.29 0.50 0.51 0.00 0.00 175.35 176.85 2jpa s ARG 17 N -1.18 3.48 0.18 1.68 3.52 -1.26 -0.21 118.95 125.15 2jpa s ARG 17 Ca 0.45 -0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.60 2jpa s ARG 17 Cb -0.31 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 2jpa s ARG 17 CO 0.39 0.52 0.16 0.71 -0.81 0.00 0.00 175.30 176.27 2jpa s TYR 18 N -1.68 0.88 -0.04 5.12 2.02 0.94 -4.94 117.35 119.65 2jpa s TYR 18 Ca 0.36 -1.19 -0.00 0.00 -0.37 0.00 0.00 57.07 55.87 2jpa s TYR 18 Cb -0.12 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 2jpa s TYR 18 CO 0.28 -0.64 -0.04 1.19 -1.57 0.00 0.00 175.55 174.77 2jpa n PHE 19 N -0.21 0.00 -3.14 2.71 3.01 -1.26 -1.10 117.46 117.47 2jpa n PHE 19 Ca -0.02 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.03 2jpa n PHE 19 Cb 0.64 -0.17 -0.07 0.00 -0.01 0.00 0.00 39.48 39.88 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 -2.09 4.09 0.28 -1.08 1.02 -1.26 -4.38 119.74 116.32 2jpa s LYS 20 Ca -0.06 0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.42 2jpa s LYS 20 Cb 0.02 -3.65 0.67 0.00 -0.52 0.00 0.00 37.83 34.34 2jpa s LYS 20 CO 0.09 -0.40 1.68 1.25 -0.92 0.00 0.00 175.35 177.05 2jpa h LEU 21 N 8.90 0.15 -0.19 3.17 5.85 -1.04 0.15 115.31 132.31 2jpa h LEU 21 Ca -0.27 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2jpa h LEU 21 Cb 1.13 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2jpa h LEU 21 CO 0.76 -0.06 -0.08 0.77 -0.34 0.00 0.00 178.44 179.49 2jpa h SER 22 N 0.31 0.39 0.49 1.25 4.64 -1.93 0.32 113.55 119.02 2jpa h SER 22 Ca 0.53 -0.40 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2jpa h SER 22 Cb 1.01 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2jpa h SER 22 CO -0.57 0.70 -0.43 1.12 -0.87 0.00 0.00 176.83 176.78 2jpa h HIS 23 N 0.07 0.00 -0.15 4.77 2.07 -1.72 0.15 115.15 120.34 2jpa h HIS 23 Ca 0.04 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 30.53 2jpa h HIS 23 CO 0.06 0.43 -0.75 1.25 -3.07 0.00 0.00 177.93 175.85 2jpa h LEU 24 N 0.00 0.86 -1.01 6.12 7.12 -0.68 -1.52 115.31 126.20 2jpa h LEU 24 Ca -0.00 -0.55 0.05 0.00 0.13 0.00 0.00 57.88 57.50 2jpa h LEU 24 Cb 0.79 -0.25 -0.06 0.00 -0.53 0.00 0.00 40.66 40.60 2jpa h LEU 24 CO 0.06 1.34 0.66 -0.61 -0.13 0.00 0.00 178.44 179.76 2jpa h GLN 25 N 0.50 1.20 -0.26 1.25 5.75 0.45 0.13 115.11 124.12 2jpa h GLN 25 Ca -0.04 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2jpa h GLN 25 Cb 1.37 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 2jpa h GLN 25 CO 0.15 0.79 0.11 1.98 -2.65 0.00 0.00 178.83 179.22 2jpa h MET 26 N 1.23 0.39 -0.93 1.69 4.05 -0.64 -2.79 114.93 117.93 2jpa h MET 26 Ca 0.42 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.82 2jpa h MET 26 Cb 0.08 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.76 2jpa h MET 26 CO -0.15 0.40 0.61 1.25 0.23 0.00 0.00 176.91 179.25 2jpa h HIS 27 N 0.28 1.11 -0.51 1.39 -0.00 -0.15 -1.21 115.15 116.06 2jpa h HIS 27 Ca 0.09 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 2jpa h HIS 27 Cb 0.16 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 2jpa h HIS 27 CO -0.01 0.61 0.34 0.66 -0.00 0.00 0.00 177.93 179.53 2jpa h SER 28 N 1.12 0.53 -0.91 3.26 4.64 -0.53 -1.35 113.55 120.31 2jpa h SER 28 Ca 0.39 -0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.80 2jpa h SER 28 Cb 0.10 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.00 2jpa h SER 28 CO -0.13 0.37 0.59 0.03 -0.87 0.00 0.00 176.83 176.81 2jpa h ARG 29 N 0.62 0.87 -1.00 4.77 2.47 -1.06 0.14 114.38 121.19 2jpa h ARG 29 Ca 0.20 -0.05 0.09 0.00 -1.26 0.00 0.00 59.98 58.95 2jpa h ARG 29 Cb 0.04 -0.20 -0.07 0.00 -1.65 0.00 0.00 29.97 28.09 2jpa h ARG 29 CO -0.05 0.58 0.64 0.87 0.56 0.00 0.00 179.97 182.57 2jpa h LYS 30 N 0.90 1.07 0.00 0.04 1.79 -1.32 -2.08 116.57 116.96 2jpa h LYS 30 Ca 0.43 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.78 2jpa h LYS 30 Cb 0.43 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2jpa h LYS 30 CO -0.19 0.71 -0.37 0.45 -1.08 0.00 0.00 179.45 178.97 2jpa h HIS 31 N 1.10 0.00 0.00 -1.35 3.86 -0.83 -3.04 115.15 114.89 2jpa h HIS 31 Ca 0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.66 2jpa h HIS 31 Cb 0.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 2jpa h HIS 31 CO -0.00 0.26 -0.02 1.79 0.86 0.00 0.00 177.93 180.82 2jpa h THR 32 N 0.00 0.27 -0.42 2.45 1.35 -0.55 0.85 112.91 116.86 2jpa h THR 32 Ca -0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jpa h THR 32 Cb 1.21 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2jpa h THR 32 CO 0.03 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2jpa n GLY 33 N -1.00 3.45 0.13 5.82 0.00 -1.15 -4.35 105.19 108.10 2jpa n GLY 33 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 2jpa n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jpa n GLU 34 N 0.14 0.19 -1.38 1.61 2.13 0.24 -4.62 120.64 118.94 2jpa n GLU 34 Ca 0.23 0.05 -0.51 0.00 0.66 0.00 0.00 57.16 57.59 2jpa n GLU 34 Cb 0.96 -1.10 -0.11 0.00 0.27 0.00 0.00 31.44 31.45 2jpa n GLU 34 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2jpa n LYS 35 N -2.81 0.29 -2.57 5.31 3.00 -0.87 -4.62 118.16 115.89 2jpa n LYS 35 Ca -0.14 0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 57.82 2jpa n LYS 35 Cb 0.64 -1.81 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 2jpa n LYS 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jpa s PRO 36 N 7.00 3.37 0.68 1.64 0.04 -1.26 -3.68 135.00 142.78 2jpa s PRO 36 Ca 1.21 -0.67 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2jpa s PRO 36 Cb -1.22 -4.70 0.08 0.00 0.04 0.00 0.00 34.50 28.69 2jpa s PRO 36 CO 0.55 -2.16 0.95 0.71 0.04 0.00 0.00 177.00 177.10 2jpa s TYR 37 N 5.30 2.51 0.11 0.56 1.51 0.28 -4.90 117.35 122.72 2jpa s TYR 37 Ca 0.39 0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.64 2jpa s TYR 37 Cb -0.05 -3.07 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 2jpa s TYR 37 CO 0.04 -1.39 -0.15 -1.14 -1.11 0.00 0.00 175.55 171.80 2jpa s GLN 38 N -5.11 0.97 0.22 -0.62 0.74 -1.26 -1.13 119.66 113.47 2jpa s GLN 38 Ca 0.62 -1.15 -0.31 0.00 0.05 0.00 0.00 55.36 54.57 2jpa s GLN 38 Cb -0.09 -0.92 -0.15 0.00 1.10 0.00 0.00 33.01 32.95 2jpa s GLN 38 CO 0.43 0.19 1.14 0.00 -0.55 0.00 0.00 175.29 176.50 2jpa n ASP 40 N 1.79 0.00 -4.65 0.00 5.75 -1.26 -4.71 116.55 113.48 2jpa n ASP 40 Ca 0.13 0.49 -0.43 0.00 -0.01 0.00 0.00 54.79 54.98 2jpa n ASP 40 Cb 0.28 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jpa s PHE 41 N -3.00 2.29 -0.15 2.11 5.36 -1.26 -4.88 117.98 118.45 2jpa s PHE 41 Ca 0.10 0.57 0.23 0.00 -0.96 0.00 0.00 56.93 56.88 2jpa s PHE 41 Cb 0.14 -3.84 1.25 0.00 -0.34 0.00 0.00 43.02 40.23 2jpa s PHE 41 CO 0.39 -2.82 1.71 1.57 -1.46 0.00 0.00 175.22 174.61 2jpa h LYS 42 N 9.67 0.00 -0.39 10.12 2.10 -2.02 -0.33 116.57 135.73 2jpa h LYS 42 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2jpa h LYS 42 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2jpa h LYS 42 CO 0.98 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 178.18 2jpa n ASP 43 N -2.31 3.03 -4.75 7.07 8.00 -1.26 -5.01 116.55 121.32 2jpa n ASP 43 Ca -0.01 -1.98 -0.25 0.00 0.71 0.00 0.00 54.79 53.26 2jpa n ASP 43 Cb 0.04 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.55 0.50 -2.87 0.00 4.07 -1.26 -4.80 120.64 115.72 2jpa n GLU 45 Ca -0.08 -1.60 -0.40 0.00 -0.06 0.00 0.00 57.16 55.02 2jpa n GLU 45 Cb 0.56 -0.88 -0.05 0.00 -0.06 0.00 0.00 31.44 31.01 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2jpa s ARG 46 N -1.10 4.60 0.05 5.31 3.00 -1.26 -4.92 118.95 124.64 2jpa s ARG 46 Ca 0.12 1.24 0.09 0.00 0.00 0.00 0.00 55.73 57.19 2jpa s ARG 46 Cb 0.11 -3.35 -0.03 0.00 0.00 0.00 0.00 34.95 31.67 2jpa s ARG 46 CO 0.01 0.31 -0.25 1.03 0.00 0.00 0.00 175.30 176.40 2jpa s ARG 47 N -0.23 1.82 -0.01 3.54 0.52 -1.26 -0.33 118.95 122.99 2jpa s ARG 47 Ca 0.41 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 2jpa s ARG 47 Cb -0.22 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 2jpa s ARG 47 CO 0.26 0.51 -0.12 -0.06 0.02 0.00 0.00 175.30 175.92 2jpa s PHE 48 N -0.85 1.09 -2.34 -0.53 0.08 -0.28 -4.96 117.98 110.19 2jpa s PHE 48 Ca 0.13 -0.22 0.23 0.00 0.12 0.00 0.00 56.93 57.19 2jpa s PHE 48 Cb -0.10 -0.71 0.83 0.00 -0.57 0.00 0.00 43.02 42.47 2jpa s PHE 48 CO 0.03 -0.03 1.60 -1.13 -0.10 0.00 0.00 175.22 175.59 2jpa n SER 49 N 2.85 1.63 -3.83 1.36 3.41 -1.25 -0.56 113.62 117.22 2jpa n SER 49 Ca -0.14 -1.65 -0.12 0.00 -0.26 0.00 0.00 58.87 56.69 2jpa n SER 49 Cb 0.56 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.85 0.30 0.25 4.33 3.52 -1.24 -1.61 118.95 122.65 2jpa s ARG 50 Ca 0.34 0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.92 2jpa s ARG 50 Cb 0.18 0.14 0.32 0.00 -1.56 0.00 0.00 34.95 34.03 2jpa s ARG 50 CO 0.28 -0.06 1.88 0.77 -0.81 0.00 0.00 175.30 177.37 2jpa h SER 51 N 5.34 0.97 0.12 -2.12 0.02 -1.86 -1.76 113.55 114.25 2jpa h SER 51 Ca -0.27 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 2jpa h SER 51 Cb 1.20 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2jpa h SER 51 CO 0.40 0.64 -0.41 -2.24 -1.14 0.00 0.00 176.83 174.08 2jpa h ASP 52 N 1.12 0.40 -0.42 3.07 2.03 -1.97 0.13 116.42 120.78 2jpa h ASP 52 Ca 0.38 -0.17 -0.11 0.00 -0.73 0.00 0.00 57.03 56.39 2jpa h ASP 52 Cb 0.07 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2jpa h ASP 52 CO -0.14 0.77 -0.18 -0.61 -1.03 0.00 0.00 179.24 178.06 2jpa h GLN 53 N 0.32 0.86 -0.23 4.15 -0.00 -1.83 0.11 115.11 118.48 2jpa h GLN 53 Ca 0.03 -0.37 -0.00 0.00 -0.00 0.00 0.00 58.65 58.31 2jpa h GLN 53 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.30 2jpa h GLN 53 CO 0.07 1.01 0.14 1.25 0.00 0.00 0.00 178.83 181.30 2jpa h LEU 54 N 0.69 0.28 -1.61 -2.39 5.85 -1.13 0.11 115.31 117.12 2jpa h LEU 54 Ca 0.10 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jpa h LEU 54 Cb 0.73 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2jpa h LEU 54 CO 0.06 0.26 0.21 0.50 -0.34 0.00 0.00 178.44 179.12 2jpa h LYS 55 N 0.29 0.47 -0.22 1.25 3.64 -0.50 0.20 116.57 121.69 2jpa h LYS 55 Ca 0.08 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2jpa h LYS 55 Cb 0.03 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2jpa h LYS 55 CO -0.02 0.33 -0.21 0.00 -2.27 0.00 0.00 179.45 177.29 2jpa h ARG 56 N 0.48 0.53 -0.64 1.90 3.08 -0.47 -3.20 114.38 116.07 2jpa h ARG 56 Ca 0.13 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2jpa h ARG 56 Cb -0.02 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2jpa h ARG 56 CO -0.02 0.86 0.39 1.25 -1.07 0.00 0.00 179.97 181.37 2jpa h HIS 57 N 0.22 0.84 -0.95 3.04 2.76 0.51 -1.18 115.15 120.39 2jpa h HIS 57 Ca 0.04 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.37 2jpa h HIS 57 Cb 0.75 -0.28 -0.08 0.00 1.55 0.00 0.00 27.41 29.35 2jpa h HIS 57 CO 0.08 0.56 0.60 0.37 -1.30 0.00 0.00 177.93 178.24 2jpa h GLN 58 N 0.88 0.71 -0.65 5.26 4.15 -0.66 -0.67 115.11 124.13 2jpa h GLN 58 Ca 0.23 -0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.73 2jpa h GLN 58 Cb -0.03 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 2jpa h GLN 58 CO -0.04 0.47 0.44 0.00 -1.93 0.00 0.00 178.83 177.76 2jpa h ARG 59 N 0.73 0.34 -0.14 1.69 2.47 -1.26 0.11 114.38 118.32 2jpa h ARG 59 Ca 0.50 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.16 2jpa h ARG 59 Cb 0.80 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2jpa h ARG 59 CO -0.26 0.22 -0.11 0.00 0.56 0.00 0.00 179.97 180.38 2jpa h ARG 60 N 0.35 0.21 0.04 0.04 -0.00 -1.23 0.26 114.38 114.07 2jpa h ARG 60 Ca 0.31 -0.04 -0.34 0.00 -0.50 0.00 0.00 59.98 59.40 2jpa h ARG 60 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.63 2jpa h ARG 60 CO -0.08 0.34 -2.00 0.72 0.00 0.00 0.00 179.97 178.94 2jpa n HIS 61 N -4.30 0.83 0.06 3.04 8.25 -0.39 -4.36 115.22 118.35 2jpa n HIS 61 Ca -0.01 0.23 -0.05 0.00 -0.26 0.00 0.00 57.72 57.64 2jpa n HIS 61 Cb 0.25 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.14 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 0.03 1.25 0.00 1.59 1.35 -0.97 -3.48 112.91 112.68 2jpa h THR 62 Ca -0.41 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.55 2jpa h THR 62 Cb 2.04 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 71.06 2jpa h THR 62 CO 0.06 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 2jpa n GLY 63 N 1.37 1.66 3.77 5.82 0.00 0.92 -4.98 105.19 113.75 2jpa n GLY 63 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2jpa n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jpa s VAL 64 N -2.97 2.81 -0.49 1.61 -7.23 -1.26 -5.01 120.40 107.86 2jpa s VAL 64 Ca 0.00 0.69 0.04 0.00 -1.81 0.00 0.00 61.98 60.91 2jpa s VAL 64 Cb 0.00 -3.39 0.17 0.00 0.56 0.00 0.00 36.38 33.72 2jpa s VAL 64 CO 0.00 0.07 0.39 0.29 -0.31 0.00 0.00 175.10 175.54 2jpa n LYS 65 N -0.02 0.67 0.21 4.82 5.02 -1.26 -4.51 118.16 123.09 2jpa n LYS 65 Ca 0.05 -3.55 0.11 0.00 -2.02 0.00 0.00 58.31 52.89 2jpa n LYS 65 Cb 0.45 -1.84 0.24 0.00 -0.02 0.00 0.00 35.03 33.87 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 5.52 0.00 -6.00 1.97 0.13 -1.86 -3.37 132.00 128.39 2jpa h PRO 66 Ca 0.23 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.78 2jpa h PRO 66 Cb 0.86 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.89 2jpa h PRO 66 CO 0.47 0.12 1.02 -0.06 -0.23 0.00 0.00 178.00 179.32 2jpa s PHE 67 N -3.27 2.48 -0.10 1.56 0.08 -0.48 -4.92 117.98 113.33 2jpa s PHE 67 Ca 0.05 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 2jpa s PHE 67 Cb 0.07 -4.54 -0.05 0.00 -0.57 0.00 0.00 43.02 37.92 2jpa s PHE 67 CO 0.66 -1.91 0.25 -1.14 -0.10 0.00 0.00 175.22 172.98 2jpa s GLN 68 N 4.98 3.83 0.27 0.44 0.74 -1.26 -0.20 119.66 128.47 2jpa s GLN 68 Ca 0.34 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.52 2jpa s GLN 68 Cb -0.08 -3.27 -0.10 0.00 1.10 0.00 0.00 33.01 30.65 2jpa s GLN 68 CO 0.07 0.58 1.44 0.00 -0.55 0.00 0.00 175.29 176.83 2jpa h LYS 70 N 4.62 0.00 0.00 0.00 2.10 -1.97 -2.93 116.57 118.40 2jpa h LYS 70 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2jpa h LYS 70 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2jpa h LYS 70 CO 0.75 0.10 0.00 2.41 -2.00 0.00 0.00 179.45 180.71 2jpa n THR 71 N -3.36 0.00 1.37 0.07 -1.04 -1.26 -4.68 114.28 105.39 2jpa n THR 71 Ca -0.01 0.19 0.14 0.00 -2.04 0.00 0.00 64.05 62.34 2jpa n THR 71 Cb 0.28 -1.11 0.62 0.00 -1.82 0.00 0.00 70.33 68.30 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 -1.06 -1.18 -0.88 0.00 1.13 -1.10 -5.00 117.38 109.28 2jpa n GLN 73 Ca 0.14 0.96 -0.30 0.00 -1.94 0.00 0.00 57.00 55.86 2jpa n GLN 73 Cb 0.28 -5.23 0.18 0.00 0.11 0.00 0.00 30.24 25.57 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 -3.89 0.63 -0.03 -1.09 0.52 -1.26 -4.62 118.95 109.20 2jpa s ARG 74 Ca 0.00 1.06 0.03 0.00 -0.52 0.00 0.00 55.73 56.30 2jpa s ARG 74 Cb 0.00 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2jpa s ARG 74 CO 0.00 -2.74 -0.12 0.15 0.02 0.00 0.00 175.30 172.61 2jpa s LYS 75 N -4.72 1.24 0.20 3.54 1.02 -1.26 -0.07 119.74 119.69 2jpa s LYS 75 Ca 0.66 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.28 2jpa s LYS 75 Cb -0.21 -1.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.92 2jpa s LYS 75 CO 0.59 0.17 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.06 2jpa s PHE 76 N 0.11 1.49 -1.34 3.18 0.08 0.72 -4.96 117.98 117.27 2jpa s PHE 76 Ca -0.03 -0.79 0.13 0.00 0.12 0.00 0.00 56.93 56.36 2jpa s PHE 76 Cb -0.09 -0.80 0.27 0.00 -0.57 0.00 0.00 43.02 41.82 2jpa s PHE 76 CO 0.01 0.09 1.16 0.43 -0.10 0.00 0.00 175.22 176.80 2jpa n SER 77 N -0.34 2.73 -3.77 1.36 7.64 -1.26 -1.39 113.62 118.59 2jpa n SER 77 Ca -0.08 -1.83 -0.15 0.00 1.01 0.00 0.00 58.87 57.83 2jpa n SER 77 Cb 0.62 -0.17 -0.16 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.05 -0.03 0.33 1.43 0.52 -1.26 -4.94 118.95 113.96 2jpa s ARG 78 Ca 0.23 0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.72 2jpa s ARG 78 Cb 0.13 -0.23 0.57 0.00 0.52 0.00 0.00 34.95 35.94 2jpa s ARG 78 CO 0.18 -0.16 1.77 0.66 0.02 0.00 0.00 175.30 177.77 2jpa h SER 79 N 7.25 0.23 -0.22 0.23 4.64 -1.98 -1.20 113.55 122.50 2jpa h SER 79 Ca -0.45 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 60.70 2jpa h SER 79 Cb 1.12 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2jpa h SER 79 CO 0.48 0.55 -0.15 -2.24 -0.87 0.00 0.00 176.83 174.59 2jpa h ASP 80 N 0.20 0.63 -0.26 4.97 2.03 -1.98 0.16 116.42 122.17 2jpa h ASP 80 Ca 0.03 -0.19 -0.09 0.00 -0.73 0.00 0.00 57.03 56.05 2jpa h ASP 80 Cb 0.67 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 2jpa h ASP 80 CO 0.05 0.80 -0.19 0.45 -1.03 0.00 0.00 179.24 179.32 2jpa h HIS 81 N 0.58 0.68 -0.16 4.15 3.86 -1.89 -1.00 115.15 121.37 2jpa h HIS 81 Ca 0.10 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2jpa h HIS 81 Cb 0.59 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2jpa h HIS 81 CO 0.03 0.87 0.03 1.25 0.86 0.00 0.00 177.93 180.96 2jpa h LEU 82 N 0.30 0.26 -1.24 2.43 6.46 -0.99 0.26 115.31 122.78 2jpa h LEU 82 Ca 0.05 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.51 2jpa h LEU 82 Cb 0.72 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2jpa h LEU 82 CO 0.05 0.45 0.02 0.50 -0.62 0.00 0.00 178.44 178.83 2jpa h LYS 83 N 0.06 0.53 -0.03 1.25 3.64 -0.75 0.40 116.57 121.66 2jpa h LYS 83 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jpa h LYS 83 Cb 0.30 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jpa h LYS 83 CO 0.00 0.54 0.00 1.15 -2.27 0.00 0.00 179.45 178.88 2jpa h THR 84 N 0.51 1.23 -0.38 1.00 2.02 -0.93 -2.89 112.91 113.48 2jpa h THR 84 Ca 0.11 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2jpa h THR 84 Cb 0.31 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2jpa h THR 84 CO 0.01 0.19 0.12 -0.74 0.37 0.00 0.00 175.52 175.47 2jpa h HIS 85 N -0.22 0.54 -0.91 3.16 -0.00 -0.10 -1.51 115.15 116.12 2jpa h HIS 85 Ca 0.01 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.45 2jpa h HIS 85 Cb 0.30 -0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 27.47 2jpa h HIS 85 CO 0.02 0.45 0.55 1.15 -0.00 0.00 0.00 177.93 180.10 2jpa h THR 86 N 0.54 0.94 0.00 6.26 2.02 -0.05 -0.19 112.91 122.44 2jpa h THR 86 Ca 0.13 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2jpa h THR 86 Cb 0.16 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2jpa h THR 86 CO -0.01 0.17 -0.09 0.03 0.37 0.00 0.00 175.52 175.99 2jpa h ARG 87 N 0.92 0.00 -0.04 6.66 3.08 -1.07 0.47 114.38 124.40 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 30.40 2jpa h ARG 87 CO -0.24 0.09 -0.44 1.79 -1.07 0.00 0.00 179.97 180.10 2jpa h THR 88 N 0.00 1.32 0.00 2.04 1.35 -1.04 -0.26 112.91 116.32 2jpa h THR 88 Ca -0.00 -1.55 -0.07 0.00 -0.55 0.00 0.00 66.41 64.24 2jpa h THR 88 Cb 0.34 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2jpa h THR 88 CO 0.01 0.45 -1.02 0.45 -0.25 0.00 0.00 175.52 175.16 2jpa h HIS 89 N 0.07 0.00 -0.01 4.73 3.86 -1.13 -3.34 115.15 119.34 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 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2jpa h HIS 89 CO 0.01 0.27 -0.35 2.41 0.86 0.00 0.00 177.93 181.12 2jpa n THR 90 N -2.85 0.00 -1.15 2.45 -1.04 0.02 -4.93 114.28 106.78 2jpa n THR 90 Ca -0.03 -0.12 -0.05 0.00 -2.04 0.00 0.00 64.05 61.81 2jpa n THR 90 Cb 0.68 0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 69.67 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 1.38 0.58 3.55 3.41 0.00 -0.16 -4.92 105.19 109.03 2jpa n GLY 91 Ca 0.10 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.13 3.09 -0.65 1.61 2.56 -0.88 -4.92 118.70 117.38 2jpa s GLU 92 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.97 54.83 2jpa s GLU 92 Cb 0.00 -4.44 0.16 0.00 2.00 0.00 0.00 34.13 31.85 2jpa s GLU 92 CO 0.00 -2.35 0.44 0.15 -0.56 0.00 0.00 175.26 172.94 2jpa s LYS 93 N 5.98 2.31 0.28 4.30 1.02 -1.26 -4.34 119.74 128.04 2jpa s LYS 93 Ca 0.45 -3.15 0.23 0.00 0.02 0.00 0.00 55.97 53.53 2jpa s LYS 93 Cb -0.08 -3.35 0.19 0.00 -0.52 0.00 0.00 37.83 34.07 2jpa s LYS 93 CO 0.12 -1.25 1.31 -1.00 -0.92 0.00 0.00 175.35 173.61 2jpa h PRO 94 N 5.66 0.00 -5.62 -1.68 0.13 -1.83 -3.39 132.00 125.27 2jpa h PRO 94 Ca 0.09 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.56 2jpa h PRO 94 Cb 0.79 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 2jpa h PRO 94 CO 0.70 0.00 2.26 1.19 -0.23 0.00 0.00 178.00 181.93 2jpa n PHE 95 N -2.77 4.43 -2.94 1.56 3.72 -0.31 -4.88 117.46 116.26 2jpa n PHE 95 Ca 0.02 -2.78 -0.36 0.00 -0.05 0.00 0.00 57.45 54.28 2jpa n PHE 95 Cb 0.53 -2.62 -0.06 0.00 -0.94 0.00 0.00 39.48 36.38 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 4.22 7.15 0.40 4.37 0.01 -1.26 -0.89 113.70 127.71 2jpa s SER 96 Ca 0.54 1.61 -0.25 0.00 1.31 0.00 0.00 55.95 59.16 2jpa s SER 96 Cb 0.05 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.70 2jpa s SER 96 CO 0.06 -0.06 1.17 0.00 0.41 0.00 0.00 173.24 174.83 2jpa n ARG 98 N 0.04 1.72 -1.72 0.00 5.12 -1.26 -4.63 116.66 115.92 2jpa n ARG 98 Ca 0.04 -1.58 -0.38 0.00 -1.93 0.00 0.00 57.85 54.00 2jpa n ARG 98 Cb 0.47 -1.22 0.04 0.00 -1.16 0.00 0.00 32.46 30.59 2jpa n ARG 98 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2jpa n TRP 99 N 0.50 2.09 -0.71 -1.55 7.02 -1.26 -4.84 117.44 118.70 2jpa n TRP 99 Ca 0.08 0.44 -0.08 0.00 -1.02 0.00 0.00 57.50 56.92 2jpa n TRP 99 Cb 0.34 -2.33 -0.11 0.00 -2.42 0.00 0.00 31.31 26.79 2jpa n TRP 99 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2jpa n PRO 100 N -1.04 1.41 0.00 -0.99 -0.04 -1.26 -2.46 135.00 130.63 2jpa n PRO 100 Ca 0.11 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 2jpa n PRO 100 Cb 0.45 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.43 0.00 -4.81 3.54 7.64 -1.26 -5.17 113.62 115.99 2jpa n SER 101 Ca 0.27 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.90 2jpa n SER 101 Cb 0.65 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.94 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 -2.97 0.00 -2.51 0.00 0.00 -1.26 -4.81 117.38 105.82 2jpa n GLN 103 Ca 0.10 -0.61 -0.33 0.00 0.00 0.00 0.00 57.00 56.16 2jpa n GLN 103 Cb 0.60 0.34 -0.04 0.00 0.00 0.00 0.00 30.24 31.14 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 3.86 0.06 2.61 -0.14 -1.26 -4.85 119.74 120.02 2jpa s LYS 104 Ca 0.00 1.20 0.06 0.00 -1.36 0.00 0.00 55.97 55.87 2jpa s LYS 104 Cb 0.00 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 34.01 2jpa s LYS 104 CO 0.00 -0.36 -0.16 0.15 -0.76 0.00 0.00 175.35 174.22 2jpa s LYS 105 N -3.50 0.99 0.13 1.68 1.02 -1.26 -0.34 119.74 118.46 2jpa s LYS 105 Ca 0.64 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.74 2jpa s LYS 105 Cb -0.13 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 2jpa s LYS 105 CO 0.23 0.25 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.76 2jpa s PHE 106 N -1.05 1.13 -2.84 3.18 0.08 -0.06 -4.95 117.98 113.47 2jpa s PHE 106 Ca 0.02 -0.80 0.25 0.00 0.12 0.00 0.00 56.93 56.52 2jpa s PHE 106 Cb -0.09 -0.60 0.39 0.00 -0.57 0.00 0.00 43.02 42.15 2jpa s PHE 106 CO 0.02 0.00 1.37 0.00 -0.10 0.00 0.00 175.22 176.51 2jpa n ALA 107 N -0.08 2.48 -2.82 5.36 0.00 -1.26 -1.16 120.51 123.03 2jpa n ALA 107 Ca -0.11 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 2jpa n ALA 107 Cb 0.60 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.94 0.33 0.21 0.00 0.52 -1.26 -4.89 118.95 111.93 2jpa s ARG 108 Ca 0.31 -0.14 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 2jpa s ARG 108 Cb 0.20 -0.33 0.21 0.00 0.52 0.00 0.00 34.95 35.55 2jpa s ARG 108 CO 0.31 0.08 1.84 1.03 0.02 0.00 0.00 175.30 178.58 2jpa h SER 109 N 6.09 0.71 0.02 0.23 0.87 -1.96 -1.81 113.55 117.71 2jpa h SER 109 Ca -0.28 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 2jpa h SER 109 Cb 1.19 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2jpa h SER 109 CO 0.50 0.49 -0.27 -2.24 -0.53 0.00 0.00 176.83 174.78 2jpa h ASP 110 N 0.85 0.40 -0.65 6.23 2.03 -1.98 0.75 116.42 124.04 2jpa h ASP 110 Ca 0.29 -0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 2jpa h ASP 110 Cb 0.05 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.41 2jpa h ASP 110 CO -0.12 0.67 0.40 -0.33 -1.03 0.00 0.00 179.24 178.82 2jpa h GLU 111 N 0.35 0.88 -0.64 4.15 5.08 -1.81 0.14 114.58 122.72 2jpa h GLU 111 Ca 0.05 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2jpa h GLU 111 Cb 0.66 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2jpa h GLU 111 CO 0.05 0.62 0.09 1.25 -1.00 0.00 0.00 179.01 180.02 2jpa h LEU 112 N 0.88 1.03 -0.58 1.33 5.85 -0.89 -0.53 115.31 122.41 2jpa h LEU 112 Ca 0.23 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jpa h LEU 112 Cb -0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 2jpa h LEU 112 CO -0.04 1.04 0.34 0.58 -0.34 0.00 0.00 178.44 180.01 2jpa h VAL 113 N 0.99 1.04 -0.29 1.05 2.07 -0.35 -0.49 116.25 120.27 2jpa h VAL 113 Ca 0.19 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2jpa h VAL 113 Cb 0.45 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2jpa h VAL 113 CO 0.01 0.12 0.14 -0.09 0.02 0.00 0.00 177.57 177.78 2jpa h ARG 114 N 0.66 0.41 -0.33 1.57 2.43 -0.49 -1.92 114.38 116.71 2jpa h ARG 114 Ca 0.24 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 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 0.39 -0.02 1.25 -1.51 0.00 0.00 179.97 179.96 2jpa h HIS 115 N 0.33 -0.06 -0.92 2.20 2.76 -0.56 0.41 115.15 119.31 2jpa h HIS 115 Ca 0.10 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2jpa h HIS 115 Cb 0.11 0.08 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 2jpa h HIS 115 CO -0.02 -0.08 0.60 0.45 -1.30 0.00 0.00 177.93 177.57 2jpa h HIS 116 N 0.07 1.08 0.00 5.26 3.86 -0.96 -0.05 115.15 124.40 2jpa h HIS 116 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2jpa h HIS 116 Cb 0.23 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2jpa h HIS 116 CO -0.26 0.57 0.00 -0.91 0.86 0.00 0.00 177.93 178.20 2jpa h ASN 117 N 1.07 0.00 -0.24 2.45 2.35 -0.15 -1.83 115.58 119.22 2jpa h ASN 117 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2jpa h ASN 117 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jpa h ASN 117 CO -0.14 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.87 2jpa n MET 118 N -2.39 1.96 0.00 0.81 2.81 -0.20 -5.09 117.12 115.02 2jpa n MET 118 Ca 0.02 -1.84 0.11 0.00 -1.81 0.00 0.00 57.70 54.18 2jpa n MET 118 Cb 0.28 -1.34 0.64 0.00 -0.71 0.00 0.00 33.22 32.09 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06