#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 0.02 0.00 7.64 -1.26 -4.50 113.62 115.52 2jpa n SER 2 Ca 0.00 -1.05 0.12 0.00 1.01 0.00 0.00 58.87 58.95 2jpa n SER 2 Cb 0.00 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.35 2jpa n SER 2 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jpa n GLU 3 N 0.00 0.16 -4.28 1.43 -0.00 -1.26 -4.96 120.64 111.73 2jpa n GLU 3 Ca 0.00 0.03 -0.19 0.00 -0.00 0.00 0.00 57.16 57.00 2jpa n GLU 3 Cb 0.51 -1.58 -0.08 0.00 -0.00 0.00 0.00 31.44 30.29 2jpa n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2jpa s LYS 4 N -3.10 1.68 -0.48 3.44 1.02 -1.26 -5.11 119.74 115.93 2jpa s LYS 4 Ca 0.08 -1.97 0.08 0.00 0.02 0.00 0.00 55.97 54.18 2jpa s LYS 4 Cb 0.15 0.29 0.31 0.00 -0.52 0.00 0.00 37.83 38.06 2jpa s LYS 4 CO 0.73 -0.61 0.76 0.54 -0.92 0.00 0.00 175.35 175.86 2jpa n ARG 5 N -0.58 1.88 -0.36 1.68 1.74 -1.26 -4.82 116.66 114.94 2jpa n ARG 5 Ca 0.06 -4.02 0.10 0.00 -0.77 0.00 0.00 57.85 53.22 2jpa n ARG 5 Cb 0.63 -1.87 0.28 0.00 -1.02 0.00 0.00 32.46 30.47 2jpa n ARG 5 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2jpa h PRO 6 N 3.35 0.87 -5.26 5.56 0.11 -1.87 -3.44 132.00 131.32 2jpa h PRO 6 Ca 0.12 -0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.79 2jpa h PRO 6 Cb 0.76 -0.20 -0.18 0.00 0.11 0.00 0.00 31.00 31.49 2jpa h PRO 6 CO 0.65 0.57 -0.75 -0.06 -0.21 0.00 0.00 178.00 178.20 2jpa s PHE 7 N -5.91 1.27 0.04 0.65 0.08 -0.47 -5.02 117.98 108.63 2jpa s PHE 7 Ca -0.12 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.38 2jpa s PHE 7 Cb 0.23 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 2jpa s PHE 7 CO 0.81 0.09 -0.07 -1.64 -0.10 0.00 0.00 175.22 174.30 2jpa s MET 8 N -2.63 0.52 0.49 0.44 -1.94 -1.26 -0.17 119.30 114.75 2jpa s MET 8 Ca 0.07 -0.77 -0.23 0.00 -1.71 0.00 0.00 55.69 53.05 2jpa s MET 8 Cb -0.05 -0.25 -0.07 0.00 2.01 0.00 0.00 34.83 36.47 2jpa s MET 8 CO 0.02 0.04 1.24 0.00 -0.01 0.00 0.00 175.02 176.31 2jpa n ALA 10 N -0.64 3.05 -2.27 0.00 0.00 -1.26 -4.01 120.51 115.38 2jpa n ALA 10 Ca 0.08 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 2jpa n ALA 10 Cb 0.47 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.45 3.76 0.46 0.00 5.04 -1.26 -4.95 117.35 117.96 2jpa s TYR 11 Ca 0.25 1.75 -0.23 0.00 -2.44 0.00 0.00 57.07 56.40 2jpa s TYR 11 Cb 0.19 -3.10 -0.07 0.00 0.35 0.00 0.00 41.96 39.33 2jpa s TYR 11 CO 0.50 0.03 1.21 -1.25 -1.34 0.00 0.00 175.55 174.70 2jpa s PRO 12 N 0.04 3.70 0.00 4.97 0.04 -1.26 -1.71 135.00 140.77 2jpa s PRO 12 Ca 0.48 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2jpa s PRO 12 Cb -0.24 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2jpa s PRO 12 CO 0.30 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2jpa n GLY 13 N 0.52 1.60 0.00 0.56 0.00 -1.26 -4.74 105.19 101.87 2jpa n GLY 13 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.43 -2.69 -4.84 0.00 4.05 -0.70 -4.93 115.26 105.73 2jpa n ASN 15 Ca 0.00 -0.49 -0.31 0.00 0.45 0.00 0.00 54.58 54.23 2jpa n ASN 15 Cb 0.00 -2.28 0.04 0.00 1.23 0.00 0.00 39.78 38.77 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 -6.20 3.10 0.15 1.20 1.02 -1.26 -4.36 119.74 113.38 2jpa s LYS 16 Ca 0.46 0.87 0.01 0.00 0.02 0.00 0.00 55.97 57.32 2jpa s LYS 16 Cb -0.26 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 2jpa s LYS 16 CO 0.57 -0.96 0.31 -0.98 -0.92 0.00 0.00 175.35 173.37 2jpa s ARG 17 N -5.10 3.48 0.13 1.68 1.04 -1.26 0.11 118.95 119.02 2jpa s ARG 17 Ca 0.57 -0.46 -0.06 0.00 -1.04 0.00 0.00 55.73 54.74 2jpa s ARG 17 Cb -0.13 -2.93 -0.02 0.00 -2.04 0.00 0.00 34.95 29.83 2jpa s ARG 17 CO 0.55 0.49 0.18 0.71 -0.04 0.00 0.00 175.30 177.19 2jpa s TYR 18 N -1.75 0.48 -0.04 5.89 2.02 0.76 -4.94 117.35 119.78 2jpa s TYR 18 Ca 0.36 -0.88 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 2jpa s TYR 18 Cb -0.11 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 2jpa s TYR 18 CO 0.28 -0.61 0.03 0.34 -1.57 0.00 0.00 175.55 174.02 2jpa n PHE 19 N -0.13 0.00 -4.30 2.71 7.35 -1.26 -1.37 117.46 120.46 2jpa n PHE 19 Ca -0.09 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.26 2jpa n PHE 19 Cb 0.63 -0.19 -0.14 0.00 0.35 0.00 0.00 39.48 40.13 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 -2.13 3.38 0.20 -4.13 -0.14 -1.26 -4.80 119.74 110.86 2jpa s LYS 20 Ca -0.02 -0.65 -0.13 0.00 -1.36 0.00 0.00 55.97 53.81 2jpa s LYS 20 Cb 0.01 -2.83 0.23 0.00 -1.68 0.00 0.00 37.83 33.57 2jpa s LYS 20 CO 0.17 0.00 1.65 1.25 -0.76 0.00 0.00 175.35 177.66 2jpa h LEU 21 N 7.42 -0.41 -0.22 3.17 6.46 -1.99 0.14 115.31 129.90 2jpa h LEU 21 Ca -0.35 0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 2jpa h LEU 21 Cb 1.18 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 2jpa h LEU 21 CO 0.59 -0.15 -0.07 0.77 -0.62 0.00 0.00 178.44 178.95 2jpa h SER 22 N 0.05 0.44 0.03 1.25 4.64 -1.98 0.17 113.55 118.15 2jpa h SER 22 Ca 0.29 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2jpa h SER 22 Cb 0.45 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2jpa h SER 22 CO -0.55 0.73 -0.09 1.12 -0.87 0.00 0.00 176.83 177.17 2jpa h HIS 23 N 0.15 0.16 -0.16 4.77 2.07 -1.81 0.27 115.15 120.59 2jpa h HIS 23 Ca 0.05 -0.01 -0.20 0.00 -2.85 0.00 0.00 60.37 57.36 2jpa h HIS 23 Cb 0.55 -0.05 0.01 0.00 2.57 0.00 0.00 27.41 30.49 2jpa h HIS 23 CO 0.06 0.25 -0.69 1.25 -3.07 0.00 0.00 177.93 175.73 2jpa h LEU 24 N 0.15 0.89 -1.15 6.12 7.12 -0.61 -1.64 115.31 126.20 2jpa h LEU 24 Ca 0.03 -0.62 0.05 0.00 0.13 0.00 0.00 57.88 57.47 2jpa h LEU 24 Cb 0.26 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.07 2jpa h LEU 24 CO 0.01 1.36 0.58 -0.61 -0.13 0.00 0.00 178.44 179.66 2jpa h GLN 25 N 0.48 1.05 -0.42 1.25 5.75 0.74 0.25 115.11 124.21 2jpa h GLN 25 Ca -0.04 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.34 2jpa h GLN 25 Cb 1.32 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 2jpa h GLN 25 CO 0.14 0.69 0.04 1.98 -2.65 0.00 0.00 178.83 179.04 2jpa h MET 26 N 1.08 0.72 -0.95 1.69 4.05 -0.47 -2.63 114.93 118.41 2jpa h MET 26 Ca 0.37 -0.21 0.05 0.00 -0.28 0.00 0.00 59.70 59.63 2jpa h MET 26 Cb 0.08 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.75 2jpa h MET 26 CO -0.12 0.77 0.62 1.25 0.23 0.00 0.00 176.91 179.66 2jpa h HIS 27 N 0.56 1.14 -0.51 1.39 -0.00 -0.17 -0.50 115.15 117.08 2jpa h HIS 27 Ca 0.12 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.55 2jpa h HIS 27 Cb 0.42 -0.38 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 2jpa h HIS 27 CO 0.03 0.63 0.34 0.66 -0.00 0.00 0.00 177.93 179.59 2jpa h SER 28 N 1.15 0.52 -0.91 3.26 4.64 -0.27 -1.09 113.55 120.86 2jpa h SER 28 Ca 0.40 -0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.81 2jpa h SER 28 Cb 0.10 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 61.99 2jpa h SER 28 CO -0.14 0.37 0.58 -0.09 -0.87 0.00 0.00 176.83 176.68 2jpa h ARG 29 N 0.61 0.85 -0.96 4.77 1.12 -0.74 -0.46 114.38 119.58 2jpa h ARG 29 Ca 0.20 -0.05 0.09 0.00 -1.11 0.00 0.00 59.98 59.11 2jpa h ARG 29 Cb 0.05 -0.19 -0.07 0.00 -0.01 0.00 0.00 29.97 29.74 2jpa h ARG 29 CO -0.05 0.56 0.62 -0.22 -3.11 0.00 0.00 179.97 177.77 2jpa h LYS 30 N 0.88 1.00 0.00 0.20 3.64 -1.21 -1.78 116.57 119.30 2jpa h LYS 30 Ca 0.43 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2jpa h LYS 30 Cb 0.46 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2jpa h LYS 30 CO -0.19 0.66 -0.05 0.45 -2.27 0.00 0.00 179.45 178.05 2jpa h HIS 31 N 1.03 0.00 0.00 1.91 3.86 -1.17 -0.30 115.15 120.48 2jpa h HIS 31 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 2jpa h HIS 31 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2jpa h HIS 31 CO -0.00 0.05 0.00 0.25 0.86 0.00 0.00 177.93 179.08 2jpa n THR 32 N -3.19 1.79 -0.38 2.45 -2.24 -0.67 -0.44 114.28 111.59 2jpa n THR 32 Ca -0.00 0.49 0.07 0.00 -2.27 0.00 0.00 64.05 62.34 2jpa n THR 32 Cb 0.28 -1.46 0.21 0.00 -2.10 0.00 0.00 70.33 67.27 2jpa n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jpa n GLY 33 N -1.29 2.95 1.11 3.38 0.00 -0.12 -4.21 105.19 107.01 2jpa n GLY 33 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.54 0.00 -1.45 1.61 1.02 0.41 -4.92 120.64 117.84 2jpa n GLU 34 Ca 0.16 0.00 -0.56 0.00 -0.02 0.00 0.00 57.16 56.75 2jpa n GLU 34 Cb 0.58 -0.45 -0.09 0.00 -0.02 0.00 0.00 31.44 31.46 2jpa n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jpa n LYS 35 N -2.96 0.73 -2.47 3.49 4.81 -0.80 -4.81 118.16 116.15 2jpa n LYS 35 Ca 0.00 0.22 -0.40 0.00 -0.87 0.00 0.00 58.31 57.26 2jpa n LYS 35 Cb 0.44 -2.06 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 2jpa n LYS 35 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jpa s PRO 36 N 5.48 3.62 -0.86 1.64 0.04 -1.26 -3.91 135.00 139.75 2jpa s PRO 36 Ca 1.10 -1.66 -0.21 0.00 0.04 0.00 0.00 61.00 60.27 2jpa s PRO 36 Cb -1.12 -5.45 0.10 0.00 0.04 0.00 0.00 34.50 28.08 2jpa s PRO 36 CO 0.59 -2.59 1.13 0.71 0.04 0.00 0.00 177.00 176.88 2jpa s TYR 37 N 5.72 2.89 0.15 0.56 2.02 -0.34 -4.91 117.35 123.44 2jpa s TYR 37 Ca 0.56 -1.05 -0.16 0.00 -0.37 0.00 0.00 57.07 56.05 2jpa s TYR 37 Cb 0.02 -4.35 -0.07 0.00 -0.40 0.00 0.00 41.96 37.16 2jpa s TYR 37 CO 0.06 -1.61 0.58 -1.14 -1.57 0.00 0.00 175.55 171.87 2jpa s GLN 38 N 3.45 4.04 0.49 -0.62 0.74 -1.26 -0.69 119.66 125.81 2jpa s GLN 38 Ca 0.31 0.57 -0.23 0.00 0.05 0.00 0.00 55.36 56.06 2jpa s GLN 38 Cb -0.08 -2.95 -0.07 0.00 1.10 0.00 0.00 33.01 31.02 2jpa s GLN 38 CO -0.03 0.48 1.29 0.00 -0.55 0.00 0.00 175.29 176.48 2jpa h ASP 40 N 1.93 0.00 -3.04 0.00 2.03 -1.97 -3.39 116.42 111.99 2jpa h ASP 40 Ca -0.50 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.27 2jpa h ASP 40 Cb 1.27 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.79 2jpa h ASP 40 CO 0.59 0.10 0.69 -0.36 -1.03 0.00 0.00 179.24 179.24 2jpa s PHE 41 N -3.49 3.27 -0.78 4.15 0.40 -1.26 -4.90 117.98 115.36 2jpa s PHE 41 Ca 0.03 1.02 0.21 0.00 -0.60 0.00 0.00 56.93 57.58 2jpa s PHE 41 Cb 0.08 -3.63 0.85 0.00 0.51 0.00 0.00 43.02 40.83 2jpa s PHE 41 CO 0.62 -2.17 1.65 1.63 0.70 0.00 0.00 175.22 177.65 2jpa n LYS 42 N 3.98 0.10 0.01 0.44 4.76 -1.26 -1.33 118.16 124.85 2jpa n LYS 42 Ca 0.11 0.28 0.12 0.00 -2.87 0.00 0.00 58.31 55.94 2jpa n LYS 42 Cb 0.43 -1.67 0.18 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.85 0.58 0.00 4.39 5.68 -1.26 -4.55 116.55 119.54 2jpa n ASP 43 Ca 0.04 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 2jpa n ASP 43 Cb 0.24 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jpa n GLU 45 N -1.99 -1.63 -3.06 0.00 -0.58 -0.71 -4.97 120.64 107.70 2jpa n GLU 45 Ca 0.00 0.83 -0.35 0.00 -0.42 0.00 0.00 57.16 57.22 2jpa n GLU 45 Cb 0.00 -5.13 -0.06 0.00 -0.57 0.00 0.00 31.44 25.68 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jpa s ARG 46 N -2.85 4.22 0.10 3.49 0.52 -1.26 -4.86 118.95 118.30 2jpa s ARG 46 Ca 0.00 0.87 0.10 0.00 -0.52 0.00 0.00 55.73 56.19 2jpa s ARG 46 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2jpa s ARG 46 CO 0.00 0.30 -0.27 -0.98 0.02 0.00 0.00 175.30 174.37 2jpa s ARG 47 N -2.32 1.52 0.26 3.54 1.04 -1.26 -1.08 118.95 120.65 2jpa s ARG 47 Ca 0.48 -1.27 0.06 0.00 -1.04 0.00 0.00 55.73 53.95 2jpa s ARG 47 Cb -0.15 -1.92 -0.06 0.00 -2.04 0.00 0.00 34.95 30.79 2jpa s ARG 47 CO 0.20 0.47 -0.05 -0.06 -0.04 0.00 0.00 175.30 175.82 2jpa s PHE 48 N -0.98 1.81 -1.46 5.89 0.40 0.14 -4.96 117.98 118.82 2jpa s PHE 48 Ca 0.13 -0.76 0.22 0.00 -0.60 0.00 0.00 56.93 55.93 2jpa s PHE 48 Cb -0.10 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 2jpa s PHE 48 CO 0.05 0.19 1.06 -1.13 0.70 0.00 0.00 175.22 176.08 2jpa n SER 49 N -0.52 1.37 -4.05 1.36 3.41 -1.25 -1.20 113.62 112.74 2jpa n SER 49 Ca -0.06 -1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 57.33 2jpa n SER 49 Cb 0.63 0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 65.16 2jpa n SER 49 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jpa s ARG 50 N -2.76 0.50 0.24 4.33 0.52 -1.26 -3.77 118.95 116.75 2jpa s ARG 50 Ca 0.13 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 2jpa s ARG 50 Cb 0.17 0.05 0.23 0.00 0.52 0.00 0.00 34.95 35.93 2jpa s ARG 50 CO 0.72 -0.05 1.88 0.66 0.02 0.00 0.00 175.30 178.53 2jpa h SER 51 N 3.96 1.14 0.06 0.23 4.64 -1.92 -1.67 113.55 119.98 2jpa h SER 51 Ca -0.34 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 2jpa h SER 51 Cb 1.18 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2jpa h SER 51 CO 0.52 0.88 -0.35 -2.24 -0.87 0.00 0.00 176.83 174.77 2jpa h ASP 52 N 1.30 0.42 -0.17 4.97 2.03 -1.97 0.22 116.42 123.22 2jpa h ASP 52 Ca 0.34 -0.16 -0.08 0.00 -0.73 0.00 0.00 57.03 56.39 2jpa h ASP 52 Cb -0.04 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.34 2jpa h ASP 52 CO -0.06 0.74 -0.21 1.56 -1.03 0.00 0.00 179.24 180.24 2jpa h GLN 53 N 0.34 0.44 -0.24 4.15 1.08 -1.86 0.25 115.11 119.26 2jpa h GLN 53 Ca 0.04 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2jpa h GLN 53 Cb 0.78 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 2jpa h GLN 53 CO 0.06 0.83 0.15 1.25 -0.95 0.00 0.00 178.83 180.17 2jpa h LEU 54 N 0.07 0.29 -0.79 1.46 5.85 -1.25 0.03 115.31 120.97 2jpa h LEU 54 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2jpa h LEU 54 Cb 0.77 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2jpa h LEU 54 CO 0.05 0.24 0.47 0.50 -0.34 0.00 0.00 178.44 179.36 2jpa h LYS 55 N 0.31 1.08 -0.22 1.25 1.63 -0.44 0.32 116.57 120.51 2jpa h LYS 55 Ca 0.09 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2jpa h LYS 55 Cb 0.00 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 2jpa h LYS 55 CO -0.02 0.77 0.14 -0.09 -3.45 0.00 0.00 179.45 176.80 2jpa h ARG 56 N 1.09 0.29 -0.87 1.90 2.43 -0.37 -2.90 114.38 115.95 2jpa h ARG 56 Ca 0.28 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2jpa h ARG 56 Cb -0.03 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2jpa h ARG 56 CO -0.05 0.21 0.53 1.25 -1.51 0.00 0.00 179.97 180.40 2jpa h HIS 57 N 0.28 1.14 -0.91 2.20 2.76 -0.21 -1.93 115.15 118.48 2jpa h HIS 57 Ca 0.08 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.42 2jpa h HIS 57 Cb -0.01 -0.37 -0.08 0.00 1.55 0.00 0.00 27.41 28.50 2jpa h HIS 57 CO -0.06 0.75 0.59 1.96 -1.30 0.00 0.00 177.93 179.87 2jpa h GLN 58 N 1.19 0.61 -0.65 5.26 1.08 -0.18 -0.34 115.11 122.08 2jpa h GLN 58 Ca 0.31 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.61 2jpa h GLN 58 Cb -0.06 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 2jpa h GLN 58 CO -0.06 0.40 0.44 0.00 -0.95 0.00 0.00 178.83 178.66 2jpa h ARG 59 N 0.63 0.30 -0.52 1.46 3.08 -1.29 0.40 114.38 118.44 2jpa h ARG 59 Ca 0.48 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.63 2jpa h ARG 59 Cb 0.87 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2jpa h ARG 59 CO -0.23 0.20 0.36 -0.09 -1.07 0.00 0.00 179.97 179.15 2jpa h ARG 60 N 0.31 0.18 0.01 0.04 2.43 -1.19 0.16 114.38 116.32 2jpa h ARG 60 Ca 0.31 -0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 59.11 2jpa h ARG 60 Cb 0.79 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 2jpa h ARG 60 CO -0.08 0.12 -2.29 0.72 -1.51 0.00 0.00 179.97 176.93 2jpa n HIS 61 N -4.44 0.22 -3.01 2.20 8.25 0.48 -4.82 115.22 114.11 2jpa n HIS 61 Ca 0.09 0.07 -0.15 0.00 -0.26 0.00 0.00 57.72 57.47 2jpa n HIS 61 Cb 0.46 -1.04 0.01 0.00 1.12 0.00 0.00 29.99 30.55 2jpa n HIS 61 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2jpa n THR 62 N -2.96 -0.15 -3.58 1.59 5.66 0.11 -5.12 114.28 109.83 2jpa n THR 62 Ca -0.34 -3.30 -0.06 0.00 -3.05 0.00 0.00 64.05 57.30 2jpa n THR 62 Cb 1.10 0.29 0.02 0.00 -1.55 0.00 0.00 70.33 70.19 2jpa n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jpa n GLY 63 N 0.49 1.25 0.00 1.09 0.00 0.51 -4.38 105.19 104.14 2jpa n GLY 63 Ca 0.17 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2jpa n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jpa n VAL 64 N -0.39 0.00 -3.77 1.61 0.24 -1.26 -4.88 118.33 109.89 2jpa n VAL 64 Ca -0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.91 2jpa n VAL 64 Cb 0.43 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 2jpa n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jpa s LYS 65 N -1.66 2.76 0.36 7.34 1.02 -1.26 -4.57 119.74 123.74 2jpa s LYS 65 Ca 0.00 -3.10 0.22 0.00 0.02 0.00 0.00 55.97 53.11 2jpa s LYS 65 Cb 0.00 -3.68 0.23 0.00 -0.52 0.00 0.00 37.83 33.86 2jpa s LYS 65 CO 0.00 -1.24 1.45 -1.00 -0.92 0.00 0.00 175.35 173.64 2jpa h PRO 66 N 6.05 0.00 -6.03 -1.68 0.13 -1.85 -3.37 132.00 125.25 2jpa h PRO 66 Ca 0.10 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.67 2jpa h PRO 66 Cb 0.83 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 2jpa h PRO 66 CO 0.77 0.05 1.45 -0.06 -0.23 0.00 0.00 178.00 179.98 2jpa s PHE 67 N -3.22 2.45 -0.16 1.56 0.08 -0.40 -4.90 117.98 113.39 2jpa s PHE 67 Ca 0.05 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 2jpa s PHE 67 Cb 0.06 -4.61 -0.05 0.00 -0.57 0.00 0.00 43.02 37.86 2jpa s PHE 67 CO 0.71 -1.89 0.14 -1.14 -0.10 0.00 0.00 175.22 172.94 2jpa s GLN 68 N 5.21 3.81 0.18 0.44 0.74 -1.26 -0.31 119.66 128.47 2jpa s GLN 68 Ca 0.50 -0.16 -0.31 0.00 0.05 0.00 0.00 55.36 55.44 2jpa s GLN 68 Cb -0.01 -3.30 -0.10 0.00 1.10 0.00 0.00 33.01 30.70 2jpa s GLN 68 CO -0.07 0.54 1.53 0.00 -0.55 0.00 0.00 175.29 176.75 2jpa h LYS 70 N 6.41 0.00 0.00 0.00 1.63 -1.96 -2.34 116.57 120.31 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 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2jpa h LYS 70 CO 0.88 0.00 0.00 2.41 -3.45 0.00 0.00 179.45 179.29 2jpa n THR 71 N -2.65 0.00 1.21 1.00 -1.04 -1.26 -4.67 114.28 106.87 2jpa n THR 71 Ca 0.01 0.24 0.13 0.00 -2.04 0.00 0.00 64.05 62.39 2jpa n THR 71 Cb 0.26 -0.99 0.34 0.00 -1.82 0.00 0.00 70.33 68.12 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 -0.70 -0.88 -1.89 0.00 1.13 -0.88 -4.99 117.38 109.17 2jpa n GLN 73 Ca 0.11 0.92 -0.41 0.00 -1.94 0.00 0.00 57.00 55.69 2jpa n GLN 73 Cb 0.35 -4.96 -0.00 0.00 0.11 0.00 0.00 30.24 25.74 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 -3.17 4.07 -0.04 -1.09 1.81 -1.26 -4.61 118.95 114.66 2jpa s ARG 74 Ca 0.00 2.44 0.03 0.00 -1.72 0.00 0.00 55.73 56.48 2jpa s ARG 74 Cb 0.00 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.56 2jpa s ARG 74 CO 0.00 -0.51 -0.12 0.15 -0.68 0.00 0.00 175.30 174.14 2jpa s LYS 75 N -2.11 2.52 0.08 3.54 1.02 -1.26 0.06 119.74 123.58 2jpa s LYS 75 Ca 0.54 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.85 2jpa s LYS 75 Cb -0.44 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2jpa s LYS 75 CO 0.59 0.62 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.52 2jpa s PHE 76 N -0.80 0.76 -1.65 3.18 0.08 0.58 -4.98 117.98 115.16 2jpa s PHE 76 Ca 0.13 -0.87 0.14 0.00 0.12 0.00 0.00 56.93 56.45 2jpa s PHE 76 Cb -0.11 -0.46 0.20 0.00 -0.57 0.00 0.00 43.02 42.08 2jpa s PHE 76 CO 0.02 -0.19 1.08 -1.13 -0.10 0.00 0.00 175.22 174.90 2jpa n SER 77 N 0.26 2.52 -3.84 1.36 3.41 -1.26 -1.27 113.62 114.80 2jpa n SER 77 Ca -0.14 -1.73 -0.15 0.00 -0.26 0.00 0.00 58.87 56.59 2jpa n SER 77 Cb 0.60 -0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.15 0.14 0.31 4.33 0.52 -1.26 -4.93 118.95 116.89 2jpa s ARG 78 Ca 0.21 0.05 0.08 0.00 -0.52 0.00 0.00 55.73 55.55 2jpa s ARG 78 Cb 0.13 -0.26 0.50 0.00 0.52 0.00 0.00 34.95 35.83 2jpa s ARG 78 CO 0.19 -0.07 1.72 0.66 0.02 0.00 0.00 175.30 177.82 2jpa h SER 79 N 6.77 0.19 -0.28 0.23 4.64 -1.98 -1.28 113.55 121.84 2jpa h SER 79 Ca -0.36 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 2jpa h SER 79 Cb 1.16 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2jpa h SER 79 CO 0.49 0.59 -0.11 -2.24 -0.87 0.00 0.00 176.83 174.70 2jpa h ASP 80 N 0.15 0.67 -0.24 4.97 2.03 -1.98 0.17 116.42 122.19 2jpa h ASP 80 Ca 0.01 -0.19 -0.06 0.00 -0.73 0.00 0.00 57.03 56.06 2jpa h ASP 80 Cb 0.81 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 2jpa h ASP 80 CO 0.06 0.81 -0.09 0.45 -1.03 0.00 0.00 179.24 179.44 2jpa h HIS 81 N 0.62 0.55 -0.19 4.15 3.86 -1.91 -1.25 115.15 120.99 2jpa h HIS 81 Ca 0.11 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2jpa h HIS 81 Cb 0.55 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2jpa h HIS 81 CO 0.02 0.73 0.08 1.25 0.86 0.00 0.00 177.93 180.87 2jpa h LEU 82 N 0.20 0.26 -1.32 2.43 6.46 -0.97 0.31 115.31 122.68 2jpa h LEU 82 Ca 0.06 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2jpa h LEU 82 Cb 0.57 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2jpa h LEU 82 CO 0.03 0.35 0.08 0.50 -0.62 0.00 0.00 178.44 178.77 2jpa h LYS 83 N 0.15 0.54 -0.02 1.25 3.64 -0.72 0.42 116.57 121.83 2jpa h LYS 83 Ca 0.06 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2jpa h LYS 83 Cb 0.17 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jpa h LYS 83 CO -0.01 0.51 -0.01 1.15 -2.27 0.00 0.00 179.45 178.83 2jpa h THR 84 N 0.53 1.31 -0.37 1.00 2.02 -0.86 -3.08 112.91 113.45 2jpa h THR 84 Ca 0.12 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2jpa h THR 84 Cb 0.22 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2jpa h THR 84 CO -0.00 0.25 0.15 -0.74 0.37 0.00 0.00 175.52 175.54 2jpa h HIS 85 N -0.34 0.51 -0.93 3.16 -0.00 -0.03 -1.82 115.15 115.70 2jpa h HIS 85 Ca 0.01 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.48 2jpa h HIS 85 Cb 0.40 -0.16 -0.08 0.00 -0.00 0.00 0.00 27.41 27.57 2jpa h HIS 85 CO 0.06 0.40 0.55 1.15 -0.00 0.00 0.00 177.93 180.09 2jpa h THR 86 N 0.52 0.88 0.00 6.26 2.02 -0.09 -0.33 112.91 122.16 2jpa h THR 86 Ca 0.13 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2jpa h THR 86 Cb 0.10 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2jpa h THR 86 CO -0.01 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.04 2jpa h ARG 87 N 0.87 0.00 -0.89 6.66 3.08 -1.28 -0.27 114.38 122.55 2jpa h ARG 87 Ca 0.47 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.65 2jpa h ARG 87 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 2jpa h ARG 87 CO -0.28 0.03 0.57 1.15 -1.07 0.00 0.00 179.97 180.37 2jpa h THR 88 N 0.00 0.86 0.00 2.04 2.02 -1.16 0.33 112.91 117.01 2jpa h THR 88 Ca -0.00 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 2jpa h THR 88 Cb 0.12 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2jpa h THR 88 CO 0.00 0.13 -1.26 0.45 0.37 0.00 0.00 175.52 175.22 2jpa h HIS 89 N 0.73 0.00 -0.01 3.16 3.86 -1.18 -3.35 115.15 118.36 2jpa h HIS 89 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 2jpa h HIS 89 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2jpa h HIS 89 CO -0.00 0.43 -0.37 0.25 0.86 0.00 0.00 177.93 179.10 2jpa n THR 90 N -2.86 0.00 -0.96 2.45 -2.24 -0.79 -4.94 114.28 104.94 2jpa n THR 90 Ca -0.07 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2jpa n THR 90 Cb 0.76 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2jpa n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jpa n GLY 91 N 1.39 0.21 3.55 3.38 0.00 0.04 -4.92 105.19 108.84 2jpa n GLY 91 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2jpa n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jpa s GLU 92 N -1.18 2.63 -0.70 1.61 2.02 -1.17 -4.90 118.70 117.00 2jpa s GLU 92 Ca 0.00 0.42 0.05 0.00 0.02 0.00 0.00 54.97 55.46 2jpa s GLU 92 Cb 0.00 -4.51 0.18 0.00 0.10 0.00 0.00 34.13 29.90 2jpa s GLU 92 CO 0.00 -2.84 0.54 1.63 0.02 0.00 0.00 175.26 174.61 2jpa n LYS 93 N 9.13 1.96 0.08 1.61 5.02 -1.26 -4.39 118.16 130.31 2jpa n LYS 93 Ca 0.24 -4.53 0.13 0.00 -2.02 0.00 0.00 58.31 52.13 2jpa n LYS 93 Cb 0.51 -2.29 0.33 0.00 -0.02 0.00 0.00 35.03 33.56 2jpa n LYS 93 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jpa n PRO 94 N 1.78 0.25 -2.53 1.97 -0.04 -1.06 -4.33 135.00 131.04 2jpa n PRO 94 Ca 0.21 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 2jpa n PRO 94 Cb 0.36 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.13 4.28 -3.02 0.54 3.72 -0.38 -4.91 117.46 115.56 2jpa n PHE 95 Ca 0.05 -3.03 -0.35 0.00 -0.05 0.00 0.00 57.45 54.06 2jpa n PHE 95 Cb 0.42 -2.35 -0.06 0.00 -0.94 0.00 0.00 39.48 36.56 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 2.97 7.05 0.80 4.37 1.04 -1.26 -0.97 113.70 127.69 2jpa s SER 96 Ca 0.46 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 2jpa s SER 96 Cb 0.04 -2.45 0.07 0.00 0.10 0.00 0.00 66.02 63.78 2jpa s SER 96 CO 0.01 -0.06 1.09 0.00 0.98 0.00 0.00 173.24 175.26 2jpa n ARG 98 N -3.57 -0.40 -1.52 0.00 3.00 -1.26 -4.47 116.66 108.43 2jpa n ARG 98 Ca 0.08 -0.63 -0.33 0.00 -0.01 0.00 0.00 57.85 56.96 2jpa n ARG 98 Cb 0.54 -0.99 0.07 0.00 0.00 0.00 0.00 32.46 32.08 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 -0.14 2.43 -0.01 -1.55 0.52 -1.26 -4.91 118.94 114.01 2jpa s TRP 99 Ca 0.00 1.58 -0.36 0.00 0.02 0.00 0.00 56.10 57.34 2jpa s TRP 99 Cb 0.00 -3.22 -0.14 0.00 -1.15 0.00 0.00 33.47 28.96 2jpa s TRP 99 CO 0.00 -1.97 1.63 -2.30 0.02 0.00 0.00 176.95 174.33 2jpa n PRO 100 N -2.82 1.70 -1.60 4.98 -0.02 -1.26 -1.33 135.00 134.65 2jpa n PRO 100 Ca 0.11 0.62 -0.18 0.00 -2.02 0.00 0.00 63.50 62.03 2jpa n PRO 100 Cb 0.52 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 2jpa n PRO 100 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jpa n SER 101 N 4.42 -5.16 -4.48 2.55 2.88 -1.26 -4.99 113.62 107.58 2jpa n SER 101 Ca 0.21 0.40 -0.25 0.00 -1.33 0.00 0.00 58.87 57.89 2jpa n SER 101 Cb 0.23 -4.24 -0.10 0.00 -0.75 0.00 0.00 64.21 59.35 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 -0.22 0.00 -1.95 0.00 -0.06 -1.26 -4.54 117.38 109.34 2jpa n GLN 103 Ca -0.09 -0.89 -0.41 0.00 -2.00 0.00 0.00 57.00 53.61 2jpa n GLN 103 Cb 0.58 0.50 -0.02 0.00 -4.06 0.00 0.00 30.24 27.24 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2jpa s LYS 104 N 0.00 4.23 0.07 3.69 1.02 -1.26 -4.39 119.74 123.09 2jpa s LYS 104 Ca 0.00 2.38 0.06 0.00 0.02 0.00 0.00 55.97 58.43 2jpa s LYS 104 Cb 0.00 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2jpa s LYS 104 CO 0.00 -0.45 -0.08 0.15 -0.92 0.00 0.00 175.35 174.04 2jpa s LYS 105 N -0.76 2.29 0.13 1.68 1.02 -1.26 -0.32 119.74 122.52 2jpa s LYS 105 Ca 0.58 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.68 2jpa s LYS 105 Cb -0.43 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2jpa s LYS 105 CO 0.48 0.54 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.32 2jpa s PHE 106 N -1.15 1.08 -2.68 3.18 0.08 -0.14 -4.94 117.98 113.41 2jpa s PHE 106 Ca 0.20 -0.88 0.24 0.00 0.12 0.00 0.00 56.93 56.61 2jpa s PHE 106 Cb -0.11 -0.59 0.34 0.00 -0.57 0.00 0.00 43.02 42.09 2jpa s PHE 106 CO 0.12 -0.08 1.35 0.00 -0.10 0.00 0.00 175.22 176.51 2jpa n ALA 107 N -0.13 2.44 -2.77 5.36 0.00 -1.26 -1.25 120.51 122.89 2jpa n ALA 107 Ca -0.10 -0.88 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 2jpa n ALA 107 Cb 0.61 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.69 0.42 0.12 0.00 0.52 -1.26 -4.88 118.95 112.18 2jpa s ARG 108 Ca 0.35 -0.23 -0.21 0.00 -0.52 0.00 0.00 55.73 55.12 2jpa s ARG 108 Cb 0.22 -0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.24 2jpa s ARG 108 CO 0.31 0.10 1.72 0.66 0.02 0.00 0.00 175.30 178.11 2jpa h SER 109 N 5.89 -0.12 -0.19 0.23 4.64 -1.96 -1.95 113.55 120.09 2jpa h SER 109 Ca -0.28 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2jpa h SER 109 Cb 1.19 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2jpa h SER 109 CO 0.49 -0.04 0.02 -2.24 -0.87 0.00 0.00 176.83 174.19 2jpa h ASP 110 N 0.01 0.41 -0.60 4.97 2.03 -1.98 0.11 116.42 121.37 2jpa h ASP 110 Ca 0.07 -0.06 -0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2jpa h ASP 110 Cb 0.11 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 2jpa h ASP 110 CO -0.15 0.46 0.37 -0.33 -1.03 0.00 0.00 179.24 178.56 2jpa h GLU 111 N 0.43 0.81 -0.61 4.15 5.08 -1.85 0.19 114.58 122.78 2jpa h GLU 111 Ca 0.10 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2jpa h GLU 111 Cb 0.26 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2jpa h GLU 111 CO 0.01 0.57 -0.00 1.25 -1.00 0.00 0.00 179.01 179.84 2jpa h LEU 112 N 0.81 1.06 -0.62 1.33 5.85 -0.58 -0.42 115.31 122.74 2jpa h LEU 112 Ca 0.22 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2jpa h LEU 112 Cb -0.03 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2jpa h LEU 112 CO -0.04 1.11 0.37 0.58 -0.34 0.00 0.00 178.44 180.12 2jpa h VAL 113 N 0.99 1.05 -0.29 1.05 2.07 -0.35 -0.31 116.25 120.45 2jpa h VAL 113 Ca 0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2jpa h VAL 113 Cb 0.57 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2jpa h VAL 113 CO 0.03 0.13 0.14 -0.09 0.02 0.00 0.00 177.57 177.80 2jpa h ARG 114 N 0.71 0.41 -0.32 1.57 2.43 -0.41 -2.02 114.38 116.75 2jpa h ARG 114 Ca 0.25 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 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 -0.03 1.25 -1.51 0.00 0.00 179.97 179.95 2jpa h HIS 115 N 0.33 -0.07 -0.98 2.20 2.76 -0.46 0.44 115.15 119.36 2jpa h HIS 115 Ca 0.10 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 2jpa h HIS 115 Cb 0.12 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.09 2jpa h HIS 115 CO -0.02 -0.09 0.63 0.45 -1.30 0.00 0.00 177.93 177.60 2jpa h HIS 116 N 0.06 1.15 0.00 5.26 3.86 -0.95 0.06 115.15 124.59 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 0.22 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jpa h HIS 116 CO -0.26 0.57 0.00 -0.91 0.86 0.00 0.00 177.93 178.19 2jpa h ASN 117 N 1.10 0.00 -0.30 2.45 2.35 -0.21 -1.88 115.58 119.10 2jpa h ASN 117 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 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 -0.18 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.83 2jpa n MET 118 N -2.39 2.14 0.00 0.81 2.81 -0.16 -5.09 117.12 115.25 2jpa n MET 118 Ca 0.03 -1.93 0.11 0.00 -1.81 0.00 0.00 57.70 54.10 2jpa n MET 118 Cb 0.28 -1.34 0.68 0.00 -0.71 0.00 0.00 33.22 32.13 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06