#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa s SER 2 N 0.00 -0.19 0.12 0.00 1.04 -1.26 -5.03 113.70 108.37 2jpa s SER 2 Ca 0.00 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 55.96 2jpa s SER 2 Cb 0.00 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 2jpa s SER 2 CO 0.00 -0.73 1.75 -0.08 0.98 0.00 0.00 173.24 175.15 2jpa h GLU 3 N 2.00 0.12 -6.25 4.02 4.81 -2.06 -3.43 114.58 113.79 2jpa h GLU 3 Ca -0.24 -0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.51 2jpa h GLU 3 Cb 1.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2jpa h GLU 3 CO 0.27 0.08 -0.40 0.15 -0.73 0.00 0.00 179.01 178.38 2jpa s LYS 4 N -6.18 2.95 -0.05 1.92 -0.14 -1.26 -5.06 119.74 111.92 2jpa s LYS 4 Ca -0.13 -1.12 -0.30 0.00 -1.36 0.00 0.00 55.97 53.06 2jpa s LYS 4 Cb 0.09 -2.66 -0.06 0.00 -1.68 0.00 0.00 37.83 33.52 2jpa s LYS 4 CO 0.68 0.12 1.71 1.03 -0.76 0.00 0.00 175.35 178.13 2jpa s ARG 5 N -4.07 4.14 0.23 1.68 3.00 -1.26 -4.92 118.95 117.75 2jpa s ARG 5 Ca 0.42 2.23 -0.03 0.00 0.00 0.00 0.00 55.73 58.35 2jpa s ARG 5 Cb -0.08 -4.02 0.05 0.00 0.00 0.00 0.00 34.95 30.90 2jpa s ARG 5 CO 0.29 -0.91 0.31 -0.35 0.00 0.00 0.00 175.30 174.64 2jpa n PRO 6 N 7.25 -0.01 -4.57 3.54 -0.04 -1.26 -5.06 135.00 134.85 2jpa n PRO 6 Ca 0.18 -0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 62.76 2jpa n PRO 6 Cb 0.43 -0.28 -0.11 0.00 -0.04 0.00 0.00 33.50 33.50 2jpa n PRO 6 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jpa s PHE 7 N -1.28 2.43 0.08 0.54 0.40 -0.19 -4.98 117.98 115.00 2jpa s PHE 7 Ca 0.19 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 2jpa s PHE 7 Cb -0.01 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2jpa s PHE 7 CO 0.13 0.50 -0.06 0.00 0.70 0.00 0.00 175.22 176.49 2jpa s MET 8 N -3.67 0.76 0.36 0.44 0.23 -1.26 -0.21 119.30 115.95 2jpa s MET 8 Ca 0.34 -1.24 -0.25 0.00 -1.03 0.00 0.00 55.69 53.51 2jpa s MET 8 Cb 0.06 -0.15 -0.10 0.00 -1.53 0.00 0.00 34.83 33.11 2jpa s MET 8 CO 0.17 -0.02 0.98 0.00 -2.03 0.00 0.00 175.02 174.11 2jpa n ALA 10 N 0.18 2.79 -2.45 0.00 0.00 -1.26 -3.67 120.51 116.10 2jpa n ALA 10 Ca 0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 2jpa n ALA 10 Cb 0.51 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.18 3.15 0.55 0.00 5.04 -1.26 -4.91 117.35 117.74 2jpa s TYR 11 Ca 0.30 1.18 0.26 0.00 -2.44 0.00 0.00 57.07 56.37 2jpa s TYR 11 Cb 0.20 -3.44 1.46 0.00 0.35 0.00 0.00 41.96 40.53 2jpa s TYR 11 CO 0.40 -1.39 2.01 -1.35 -1.34 0.00 0.00 175.55 173.87 2jpa h PRO 12 N 7.53 0.00 -0.00 4.97 0.11 -1.99 0.14 132.00 142.75 2jpa h PRO 12 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2jpa h PRO 12 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jpa h PRO 12 CO 0.89 0.00 -0.10 0.41 -0.21 0.00 0.00 178.00 178.99 2jpa n GLY 13 N -1.57 -0.81 0.00 -0.55 0.00 -1.26 -4.63 105.19 96.38 2jpa n GLY 13 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.96 -5.45 -4.89 0.00 3.02 -0.83 -4.98 115.26 101.17 2jpa n ASN 15 Ca 0.00 0.45 -0.30 0.00 -0.03 0.00 0.00 54.58 54.71 2jpa n ASN 15 Cb 0.00 -4.79 0.03 0.00 -0.61 0.00 0.00 39.78 34.41 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 -3.88 3.18 0.24 3.52 1.02 -1.26 -4.63 119.74 117.93 2jpa s LYS 16 Ca 0.00 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.48 2jpa s LYS 16 Cb 0.00 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2jpa s LYS 16 CO 0.00 -0.74 0.39 -0.98 -0.92 0.00 0.00 175.35 173.09 2jpa s ARG 17 N -5.18 3.46 0.22 1.68 1.04 -1.26 -0.07 118.95 118.84 2jpa s ARG 17 Ca 0.55 -0.62 -0.06 0.00 -1.04 0.00 0.00 55.73 54.56 2jpa s ARG 17 Cb -0.11 -2.86 -0.03 0.00 -2.04 0.00 0.00 34.95 29.92 2jpa s ARG 17 CO 0.51 0.39 0.28 0.71 -0.04 0.00 0.00 175.30 177.14 2jpa s TYR 18 N -2.00 0.84 -0.05 5.89 2.02 0.70 -4.90 117.35 119.86 2jpa s TYR 18 Ca 0.36 -1.12 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2jpa s TYR 18 Cb -0.10 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.18 2jpa s TYR 18 CO 0.30 -0.79 -0.05 1.19 -1.57 0.00 0.00 175.55 174.63 2jpa n PHE 19 N -0.32 0.00 -3.38 2.71 3.72 -1.26 -1.02 117.46 117.90 2jpa n PHE 19 Ca 0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.02 2jpa n PHE 19 Cb 0.64 -0.19 -0.09 0.00 -0.94 0.00 0.00 39.48 38.91 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2jpa s LYS 20 N -2.10 4.05 0.26 -1.08 1.02 -1.26 -4.69 119.74 115.94 2jpa s LYS 20 Ca -0.07 0.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.99 2jpa s LYS 20 Cb 0.02 -3.63 0.53 0.00 -0.52 0.00 0.00 37.83 34.23 2jpa s LYS 20 CO 0.10 -0.23 1.73 1.37 -0.92 0.00 0.00 175.35 177.40 2jpa h LEU 21 N 8.41 0.33 -0.19 3.17 -0.00 -1.99 0.13 115.31 125.17 2jpa h LEU 21 Ca -0.32 0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 57.62 2jpa h LEU 21 Cb 1.16 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 2jpa h LEU 21 CO 0.66 0.10 -0.09 0.77 -0.00 0.00 0.00 178.44 179.89 2jpa h SER 22 N 0.47 0.41 0.27 0.17 4.64 -1.98 0.21 113.55 117.73 2jpa h SER 22 Ca 0.45 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2jpa h SER 22 Cb 0.72 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2jpa h SER 22 CO -0.43 0.72 -0.24 1.12 -0.87 0.00 0.00 176.83 177.14 2jpa h HIS 23 N 0.09 0.00 -0.17 4.77 2.07 -1.71 0.20 115.15 120.40 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 0.57 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.56 2jpa h HIS 23 CO 0.06 0.24 -0.72 1.25 -3.07 0.00 0.00 177.93 175.69 2jpa h LEU 24 N 0.00 0.93 -1.16 6.12 7.12 -0.73 -1.04 115.31 126.54 2jpa h LEU 24 Ca -0.00 -0.62 0.05 0.00 0.13 0.00 0.00 57.88 57.44 2jpa h LEU 24 Cb 0.44 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.24 2jpa h LEU 24 CO 0.03 1.39 0.58 -0.61 -0.13 0.00 0.00 178.44 179.70 2jpa h GLN 25 N 0.52 1.01 -0.25 1.25 5.75 0.46 0.22 115.11 124.06 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 1.35 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 2jpa h GLN 25 CO 0.15 0.67 -0.07 1.98 -2.65 0.00 0.00 178.83 178.91 2jpa h MET 26 N 1.04 0.49 -0.52 1.69 4.05 -0.61 -2.76 114.93 118.31 2jpa h MET 26 Ca 0.37 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 2jpa h MET 26 Cb 0.13 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 2jpa h MET 26 CO -0.13 0.72 0.29 1.25 0.23 0.00 0.00 176.91 179.27 2jpa h HIS 27 N 0.23 0.54 -0.36 1.39 -0.00 0.17 -0.84 115.15 116.28 2jpa h HIS 27 Ca 0.06 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2jpa h HIS 27 Cb 0.55 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 2jpa h HIS 27 CO 0.05 0.29 0.24 0.77 -0.00 0.00 0.00 177.93 179.28 2jpa h SER 28 N 0.57 0.34 -0.89 3.26 0.02 -0.64 -1.09 113.55 115.12 2jpa h SER 28 Ca 0.22 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2jpa h SER 28 Cb 0.07 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 2jpa h SER 28 CO -0.12 0.24 0.58 -0.09 -1.14 0.00 0.00 176.83 176.29 2jpa h ARG 29 N 0.40 0.81 -0.80 3.45 1.12 -0.84 -0.09 114.38 118.43 2jpa h ARG 29 Ca 0.14 -0.05 0.09 0.00 -1.11 0.00 0.00 59.98 59.06 2jpa h ARG 29 Cb 0.08 -0.18 -0.05 0.00 -0.01 0.00 0.00 29.97 29.81 2jpa h ARG 29 CO -0.03 0.53 0.52 -0.22 -3.11 0.00 0.00 179.97 177.66 2jpa h LYS 30 N 0.83 0.73 0.00 0.20 3.11 -1.19 -1.86 116.57 118.38 2jpa h LYS 30 Ca 0.43 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.21 2jpa h LYS 30 Cb 0.50 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2jpa h LYS 30 CO -0.19 0.48 -0.05 0.45 -2.81 0.00 0.00 179.45 177.33 2jpa h HIS 31 N 0.75 0.00 -0.01 1.91 3.86 -1.11 -3.19 115.15 117.36 2jpa h HIS 31 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2jpa h HIS 31 Cb 0.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 2jpa h HIS 31 CO -0.00 0.05 0.29 1.79 0.86 0.00 0.00 177.93 180.92 2jpa h THR 32 N 0.00 0.01 -0.62 2.45 1.35 -1.30 0.33 112.91 115.13 2jpa h THR 32 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2jpa h THR 32 Cb 0.61 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2jpa h THR 32 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2jpa n GLY 33 N -1.21 2.86 0.30 5.82 0.00 -1.21 -3.97 105.19 107.79 2jpa n GLY 33 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.17 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 0.93 0.83 -3.71 1.61 1.02 0.12 -4.83 120.64 116.61 2jpa n GLU 34 Ca 0.27 -2.09 -0.37 0.00 -0.02 0.00 0.00 57.16 54.95 2jpa n GLU 34 Cb 1.02 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 31.21 2jpa n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jpa s LYS 35 N -1.85 2.39 -1.21 3.49 1.02 -0.44 -5.03 119.74 118.11 2jpa s LYS 35 Ca 0.22 -2.21 -0.20 0.00 0.02 0.00 0.00 55.97 53.80 2jpa s LYS 35 Cb 0.20 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 2jpa s LYS 35 CO 0.01 -1.15 1.88 -0.35 -0.92 0.00 0.00 175.35 174.82 2jpa n PRO 36 N 4.02 2.30 -1.28 -1.68 -0.04 -1.26 -3.47 135.00 133.59 2jpa n PRO 36 Ca 0.03 -2.74 -0.30 0.00 -0.04 0.00 0.00 63.50 60.45 2jpa n PRO 36 Cb 0.40 -3.54 0.13 0.00 -0.04 0.00 0.00 33.50 30.45 2jpa n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2jpa s TYR 37 N 7.38 2.39 0.05 0.54 2.02 0.22 -4.79 117.35 125.16 2jpa s TYR 37 Ca 0.60 1.17 0.04 0.00 -0.37 0.00 0.00 57.07 58.52 2jpa s TYR 37 Cb 0.03 -3.18 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2jpa s TYR 37 CO 0.10 -2.35 -0.12 -1.14 -1.57 0.00 0.00 175.55 170.47 2jpa s GLN 38 N -5.00 0.73 0.56 -0.62 0.74 -1.26 -0.55 119.66 114.25 2jpa s GLN 38 Ca 0.63 -0.79 -0.20 0.00 0.05 0.00 0.00 55.36 55.06 2jpa s GLN 38 Cb -0.17 -0.67 -0.05 0.00 1.10 0.00 0.00 33.01 33.22 2jpa s GLN 38 CO 0.56 0.15 1.21 0.00 -0.55 0.00 0.00 175.29 176.67 2jpa n ASP 40 N -1.27 0.64 -4.63 0.00 5.75 -1.26 -4.18 116.55 111.59 2jpa n ASP 40 Ca 0.12 -0.31 -0.43 0.00 -0.01 0.00 0.00 54.79 54.16 2jpa n ASP 40 Cb 0.49 0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 41.17 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 -3.11 2.08 0.51 2.11 5.36 -1.26 -4.89 117.98 118.78 2jpa s PHE 41 Ca 0.07 0.50 0.15 0.00 -0.96 0.00 0.00 56.93 56.69 2jpa s PHE 41 Cb 0.15 -3.96 1.23 0.00 -0.34 0.00 0.00 43.02 40.10 2jpa s PHE 41 CO 0.77 -3.07 2.14 -0.22 -1.46 0.00 0.00 175.22 173.39 2jpa h LYS 42 N 10.62 0.06 -0.10 10.12 1.63 -2.02 0.87 116.57 137.75 2jpa h LYS 42 Ca -0.34 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2jpa h LYS 42 Cb 1.16 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2jpa h LYS 42 CO 0.99 0.04 0.00 -0.25 -3.45 0.00 0.00 179.45 176.78 2jpa n ASP 43 N -4.53 0.57 0.00 4.20 8.00 -1.26 -4.46 116.55 119.08 2jpa n ASP 43 Ca -0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.54 2jpa n ASP 43 Cb 0.09 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.89 -2.95 -2.21 0.00 1.02 -0.12 -4.95 120.64 109.54 2jpa n GLU 45 Ca 0.00 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.24 2jpa n GLU 45 Cb 0.00 -5.07 -0.02 0.00 -0.02 0.00 0.00 31.44 26.34 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jpa s ARG 46 N -5.77 3.74 -0.03 3.49 0.52 -1.26 -4.63 118.95 115.00 2jpa s ARG 46 Ca 0.30 0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 56.47 2jpa s ARG 46 Cb -0.16 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2jpa s ARG 46 CO 0.37 -0.45 0.02 1.03 0.02 0.00 0.00 175.30 176.28 2jpa s ARG 47 N -4.31 2.91 -0.01 3.54 1.81 -1.26 -0.36 118.95 121.26 2jpa s ARG 47 Ca 0.59 -0.51 0.04 0.00 -1.72 0.00 0.00 55.73 54.13 2jpa s ARG 47 Cb -0.11 -2.75 -0.01 0.00 -0.45 0.00 0.00 34.95 31.63 2jpa s ARG 47 CO 0.37 0.66 -0.13 -0.06 -0.68 0.00 0.00 175.30 175.46 2jpa s PHE 48 N -1.04 1.22 -1.49 -0.53 0.08 0.28 -4.96 117.98 111.53 2jpa s PHE 48 Ca 0.18 -0.24 0.29 0.00 0.12 0.00 0.00 56.93 57.28 2jpa s PHE 48 Cb -0.12 -0.79 1.31 0.00 -0.57 0.00 0.00 43.02 42.86 2jpa s PHE 48 CO 0.08 -0.04 1.92 -1.13 -0.10 0.00 0.00 175.22 175.96 2jpa n SER 49 N 2.82 0.26 -3.87 1.36 3.41 -1.25 -0.61 113.62 115.74 2jpa n SER 49 Ca -0.15 -0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.03 2jpa n SER 49 Cb 0.55 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.57 0.61 0.23 4.33 3.52 -1.23 -1.32 118.95 122.52 2jpa s ARG 50 Ca 0.27 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2jpa s ARG 50 Cb 0.20 0.25 0.27 0.00 -1.56 0.00 0.00 34.95 34.11 2jpa s ARG 50 CO 0.48 -0.16 1.86 1.03 -0.81 0.00 0.00 175.30 177.70 2jpa h SER 51 N 3.76 0.84 -0.70 -2.12 0.87 -1.86 -1.68 113.55 112.66 2jpa h SER 51 Ca -0.32 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2jpa h SER 51 Cb 1.19 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2jpa h SER 51 CO 0.46 0.56 0.41 -0.78 -0.53 0.00 0.00 176.83 176.95 2jpa h ASP 52 N 0.98 0.85 -0.02 6.23 3.58 -1.97 0.19 116.42 126.26 2jpa h ASP 52 Ca 0.34 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 2jpa h ASP 52 Cb 0.08 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 2jpa h ASP 52 CO -0.14 0.67 0.01 1.56 -2.88 0.00 0.00 179.24 178.46 2jpa h GLN 53 N 0.95 0.03 -0.34 0.28 4.20 -1.80 0.18 115.11 118.62 2jpa h GLN 53 Ca 0.25 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2jpa h GLN 53 Cb -0.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2jpa h GLN 53 CO -0.05 0.11 0.16 1.25 -0.67 0.00 0.00 178.83 179.64 2jpa h LEU 54 N -0.05 0.44 -0.47 1.46 5.85 -1.15 0.14 115.31 121.53 2jpa h LEU 54 Ca 0.01 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2jpa h LEU 54 Cb 0.09 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2jpa h LEU 54 CO -0.00 0.44 0.30 0.50 -0.34 0.00 0.00 178.44 179.34 2jpa h LYS 55 N 0.41 0.59 -0.23 1.25 3.64 -0.47 0.29 116.57 122.05 2jpa h LYS 55 Ca 0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2jpa h LYS 55 Cb 0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2jpa h LYS 55 CO -0.01 0.39 0.12 -0.09 -2.27 0.00 0.00 179.45 177.58 2jpa h ARG 56 N 0.61 0.32 -0.93 1.90 2.43 -0.52 -3.06 114.38 115.13 2jpa h ARG 56 Ca 0.18 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2jpa h ARG 56 Cb -0.03 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 2jpa h ARG 56 CO -0.06 0.31 0.57 1.25 -1.51 0.00 0.00 179.97 180.54 2jpa h HIS 57 N 0.25 1.21 -0.90 2.20 2.76 -0.18 -1.25 115.15 119.24 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 0.09 -0.40 -0.07 0.00 1.55 0.00 0.00 27.41 28.58 2jpa h HIS 57 CO -0.03 0.79 0.58 1.96 -1.30 0.00 0.00 177.93 179.94 2jpa h GLN 58 N 1.28 0.59 -0.66 5.26 1.08 -0.34 -0.43 115.11 121.87 2jpa h GLN 58 Ca 0.34 -0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.64 2jpa h GLN 58 Cb -0.08 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 2jpa h GLN 58 CO -0.07 0.39 0.45 -0.09 -0.95 0.00 0.00 178.83 178.56 2jpa h ARG 59 N 0.60 0.31 -0.93 1.46 9.65 -1.20 0.53 114.38 124.81 2jpa h ARG 59 Ca 0.46 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.43 2jpa h ARG 59 Cb 0.87 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 29.31 2jpa h ARG 59 CO -0.21 0.20 0.60 -0.09 2.80 0.00 0.00 179.97 183.27 2jpa h ARG 60 N 0.32 0.89 0.00 0.20 2.43 -1.18 0.63 114.38 117.66 2jpa h ARG 60 Ca 0.32 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2jpa h ARG 60 Cb 0.81 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2jpa h ARG 60 CO -0.08 0.59 -0.76 0.45 -1.51 0.00 0.00 179.97 178.65 2jpa h HIS 61 N 0.92 0.00 -0.02 2.20 3.86 -1.04 -3.27 115.15 117.79 2jpa h HIS 61 Ca 0.44 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.48 2jpa h HIS 61 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2jpa h HIS 61 CO -0.00 0.44 -0.76 1.79 0.86 0.00 0.00 177.93 180.26 2jpa h THR 62 N 0.00 1.46 0.00 2.45 1.35 -0.70 -3.47 112.91 113.99 2jpa h THR 62 Ca -0.05 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 2jpa h THR 62 Cb 1.38 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2jpa h THR 62 CO 0.05 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 2jpa n GLY 63 N 0.61 2.20 3.73 5.82 0.00 0.10 -4.99 105.19 112.65 2jpa n GLY 63 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.02 3.58 -0.52 1.61 1.01 -1.25 -5.01 120.40 116.80 2jpa s VAL 64 Ca 0.00 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2jpa s VAL 64 Cb 0.00 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.75 2jpa s VAL 64 CO 0.00 0.14 0.32 -0.54 0.00 0.00 0.00 175.10 175.02 2jpa s LYS 65 N 0.42 1.66 0.37 2.72 1.02 -1.26 -4.63 119.74 120.05 2jpa s LYS 65 Ca 0.58 -2.47 0.23 0.00 0.02 0.00 0.00 55.97 54.32 2jpa s LYS 65 Cb -0.33 -2.68 0.29 0.00 -0.52 0.00 0.00 37.83 34.59 2jpa s LYS 65 CO 0.33 -1.21 1.49 -1.00 -0.92 0.00 0.00 175.35 174.04 2jpa h PRO 66 N 6.21 0.00 -5.81 -1.68 0.13 -1.84 -3.38 132.00 125.63 2jpa h PRO 66 Ca 0.05 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.55 2jpa h PRO 66 Cb 0.87 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.89 2jpa h PRO 66 CO 0.57 0.00 1.45 -0.06 -0.23 0.00 0.00 178.00 179.72 2jpa s PHE 67 N -3.24 2.72 -0.06 1.56 0.08 -0.43 -4.91 117.98 113.70 2jpa s PHE 67 Ca 0.06 -1.10 -0.15 0.00 0.12 0.00 0.00 56.93 55.85 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 0.69 -1.81 0.40 -1.14 -0.10 0.00 0.00 175.22 173.27 2jpa s GLN 68 N 4.29 4.07 0.34 0.44 0.74 -1.26 -0.24 119.66 128.04 2jpa s GLN 68 Ca 0.44 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.93 2jpa s GLN 68 Cb -0.01 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.69 2jpa s GLN 68 CO -0.07 0.48 1.37 0.00 -0.55 0.00 0.00 175.29 176.52 2jpa h LYS 70 N 3.37 0.00 0.00 0.00 6.56 -1.96 -2.90 116.57 121.63 2jpa h LYS 70 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2jpa h LYS 70 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2jpa h LYS 70 CO 0.66 0.08 0.00 2.41 -2.06 0.00 0.00 179.45 180.54 2jpa n THR 71 N -3.23 0.00 1.26 -0.16 -1.04 -1.26 -4.68 114.28 105.16 2jpa n THR 71 Ca 0.00 0.26 0.13 0.00 -2.04 0.00 0.00 64.05 62.41 2jpa n THR 71 Cb 0.34 -1.19 0.49 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.03 -1.06 -2.05 0.00 1.13 -1.10 -4.98 117.38 108.30 2jpa n GLN 73 Ca 0.12 1.03 -0.41 0.00 -1.94 0.00 0.00 57.00 55.79 2jpa n GLN 73 Cb 0.31 -5.17 -0.02 0.00 0.11 0.00 0.00 30.24 25.47 2jpa n GLN 73 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2jpa s ARG 74 N -3.26 4.29 -0.12 -1.09 6.06 -1.26 -4.54 118.95 119.03 2jpa s ARG 74 Ca 0.00 2.26 -0.04 0.00 -2.50 0.00 0.00 55.73 55.44 2jpa s ARG 74 Cb 0.00 -3.12 -0.04 0.00 0.06 0.00 0.00 34.95 31.86 2jpa s ARG 74 CO 0.00 -0.37 0.05 0.15 -2.50 0.00 0.00 175.30 172.63 2jpa s LYS 75 N -0.49 3.33 0.19 5.12 1.02 -1.26 -0.11 119.74 127.53 2jpa s LYS 75 Ca 0.58 -0.32 0.06 0.00 0.02 0.00 0.00 55.97 56.31 2jpa s LYS 75 Cb -0.41 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 2jpa s LYS 75 CO 0.44 0.62 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.31 2jpa s PHE 76 N -0.63 1.53 -2.03 3.18 0.08 0.67 -4.97 117.98 115.80 2jpa s PHE 76 Ca 0.11 -0.68 0.17 0.00 0.12 0.00 0.00 56.93 56.65 2jpa s PHE 76 Cb -0.12 -0.75 0.19 0.00 -0.57 0.00 0.00 43.02 41.77 2jpa s PHE 76 CO 0.02 0.22 1.10 -1.13 -0.10 0.00 0.00 175.22 175.33 2jpa n SER 77 N -0.32 2.58 -3.84 1.36 3.41 -1.26 -1.31 113.62 114.23 2jpa n SER 77 Ca -0.09 -1.76 -0.16 0.00 -0.26 0.00 0.00 58.87 56.61 2jpa n SER 77 Cb 0.61 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.36 0.22 0.30 4.33 0.52 -1.26 -4.92 118.95 116.78 2jpa s ARG 78 Ca 0.22 0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 2jpa s ARG 78 Cb 0.15 -0.35 0.49 0.00 0.52 0.00 0.00 34.95 35.75 2jpa s ARG 78 CO 0.22 -0.08 1.75 0.66 0.02 0.00 0.00 175.30 177.88 2jpa h SER 79 N 6.86 0.39 -0.21 0.23 4.64 -1.97 -1.42 113.55 122.08 2jpa h SER 79 Ca -0.38 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 2jpa h SER 79 Cb 1.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2jpa h SER 79 CO 0.49 0.65 -0.13 -2.24 -0.87 0.00 0.00 176.83 174.73 2jpa h ASP 80 N 0.35 0.59 -0.33 4.97 2.03 -1.98 0.18 116.42 122.22 2jpa h ASP 80 Ca 0.05 -0.16 -0.10 0.00 -0.73 0.00 0.00 57.03 56.08 2jpa h ASP 80 Cb 0.64 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 2jpa h ASP 80 CO 0.05 0.74 -0.20 0.45 -1.03 0.00 0.00 179.24 179.25 2jpa h HIS 81 N 0.55 0.84 -0.17 4.15 3.86 -1.90 -0.94 115.15 121.54 2jpa h HIS 81 Ca 0.10 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 2jpa h HIS 81 Cb 0.54 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2jpa h HIS 81 CO 0.02 0.95 0.03 1.25 0.86 0.00 0.00 177.93 181.04 2jpa h LEU 82 N 0.49 0.26 -1.30 2.43 6.46 -0.93 0.32 115.31 123.05 2jpa h LEU 82 Ca 0.07 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2jpa h LEU 82 Cb 0.75 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 2jpa h LEU 82 CO 0.06 0.45 0.31 0.50 -0.62 0.00 0.00 178.44 179.14 2jpa h LYS 83 N 0.06 0.79 -0.02 1.25 3.64 -0.70 0.41 116.57 122.01 2jpa h LYS 83 Ca 0.05 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jpa h LYS 83 Cb 0.30 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2jpa h LYS 83 CO 0.00 0.59 -0.00 1.15 -2.27 0.00 0.00 179.45 178.92 2jpa h THR 84 N 0.80 1.27 -0.19 1.00 2.02 -0.91 -3.09 112.91 113.82 2jpa h THR 84 Ca 0.21 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 2jpa h THR 84 Cb 0.03 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2jpa h THR 84 CO -0.03 0.22 -0.05 -0.74 0.37 0.00 0.00 175.52 175.28 2jpa h HIS 85 N -0.30 0.30 -0.92 3.16 -0.00 0.00 -1.69 115.15 115.70 2jpa h HIS 85 Ca 0.01 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.47 2jpa h HIS 85 Cb 0.35 -0.09 -0.08 0.00 -0.00 0.00 0.00 27.41 27.59 2jpa h HIS 85 CO 0.04 0.35 0.55 1.15 -0.00 0.00 0.00 177.93 180.03 2jpa h THR 86 N 0.28 0.87 0.00 6.26 2.02 -0.10 -0.48 112.91 121.76 2jpa h THR 86 Ca 0.06 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2jpa h THR 86 Cb 0.28 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2jpa h THR 86 CO 0.01 0.16 -0.06 0.03 0.37 0.00 0.00 175.52 176.03 2jpa h ARG 87 N 0.86 0.00 0.00 6.66 3.08 -1.27 -0.21 114.38 123.50 2jpa h ARG 87 Ca 0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.50 2jpa h ARG 87 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jpa h ARG 87 CO -0.28 0.06 -0.08 1.79 -1.07 0.00 0.00 179.97 180.38 2jpa h THR 88 N 0.00 0.66 0.00 2.04 1.35 -1.17 0.11 112.91 115.90 2jpa h THR 88 Ca -0.00 -0.35 -0.28 0.00 -0.55 0.00 0.00 66.41 65.23 2jpa h THR 88 Cb 0.23 1.21 -0.05 0.00 -1.73 0.00 0.00 68.15 67.81 2jpa h THR 88 CO 0.01 0.08 -1.90 1.41 -0.25 0.00 0.00 175.52 174.87 2jpa n HIS 89 N -3.85 0.62 1.15 4.73 8.25 -0.15 -4.32 115.22 121.65 2jpa n HIS 89 Ca -0.02 0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.78 2jpa n HIS 89 Cb 0.18 -1.08 0.28 0.00 1.12 0.00 0.00 29.99 30.50 2jpa n HIS 89 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jpa n THR 90 N -2.88 0.00 -1.04 1.59 -2.24 -0.86 -4.94 114.28 103.90 2jpa n THR 90 Ca -0.20 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2jpa n THR 90 Cb 1.03 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.25 3.55 3.38 0.00 0.34 -4.91 105.19 109.20 2jpa n GLY 91 Ca 0.10 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.75 2.68 -0.64 1.61 2.12 -1.18 -4.90 118.70 116.63 2jpa s GLU 92 Ca 0.00 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.64 2jpa s GLU 92 Cb 0.00 -4.57 0.17 0.00 0.26 0.00 0.00 34.13 29.99 2jpa s GLU 92 CO 0.00 -2.84 0.45 0.15 -0.54 0.00 0.00 175.26 172.49 2jpa s LYS 93 N 6.87 2.16 0.25 4.30 1.02 -1.26 -4.40 119.74 128.68 2jpa s LYS 93 Ca 0.65 -3.08 0.25 0.00 0.02 0.00 0.00 55.97 53.81 2jpa s LYS 93 Cb -0.10 -3.07 0.64 0.00 -0.52 0.00 0.00 37.83 34.78 2jpa s LYS 93 CO 0.14 -1.29 1.68 -1.00 -0.92 0.00 0.00 175.35 173.96 2jpa h PRO 94 N 5.52 0.00 -4.68 -1.68 0.13 -1.82 -3.39 132.00 126.07 2jpa h PRO 94 Ca 0.15 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.56 2jpa h PRO 94 Cb 0.79 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.79 2jpa h PRO 94 CO 0.65 0.00 1.97 1.19 -0.23 0.00 0.00 178.00 181.59 2jpa n PHE 95 N -2.45 4.27 -2.71 1.56 3.72 -0.30 -4.91 117.46 116.63 2jpa n PHE 95 Ca 0.05 -3.05 -0.41 0.00 -0.05 0.00 0.00 57.45 53.99 2jpa n PHE 95 Cb 0.46 -2.31 -0.05 0.00 -0.94 0.00 0.00 39.48 36.64 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 2.84 7.54 0.18 4.37 1.04 -1.26 -0.99 113.70 127.41 2jpa s SER 96 Ca 0.46 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.50 2jpa s SER 96 Cb 0.04 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 2jpa s SER 96 CO 0.01 0.02 1.29 0.00 0.98 0.00 0.00 173.24 175.55 2jpa n ARG 98 N 2.80 2.59 -1.72 0.00 5.12 -1.26 -4.30 116.66 119.88 2jpa n ARG 98 Ca 0.06 -2.22 -0.39 0.00 -1.93 0.00 0.00 57.85 53.37 2jpa n ARG 98 Cb 0.43 -1.40 0.04 0.00 -1.16 0.00 0.00 32.46 30.37 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 1.05 2.04 0.67 -1.55 7.02 -1.26 -4.85 117.44 120.56 2jpa n TRP 99 Ca 0.17 0.44 0.00 0.00 -1.02 0.00 0.00 57.50 57.09 2jpa n TRP 99 Cb 0.51 -2.33 0.00 0.00 -2.42 0.00 0.00 31.31 27.07 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 -0.90 0.67 -0.68 -0.99 -0.04 -1.26 -2.15 135.00 129.64 2jpa n PRO 100 Ca 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2jpa n PRO 100 Cb 0.44 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.51 -0.42 -4.14 3.54 7.64 -1.26 -5.15 113.62 114.34 2jpa n SER 101 Ca 0.00 -1.31 -0.12 0.00 1.01 0.00 0.00 58.87 58.44 2jpa n SER 101 Cb 0.28 0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.30 0.00 -2.37 0.00 -0.06 -1.26 -4.70 117.38 108.69 2jpa n GLN 103 Ca 0.02 -0.49 -0.33 0.00 -2.00 0.00 0.00 57.00 54.20 2jpa n GLN 103 Cb 0.66 0.36 -0.02 0.00 -4.06 0.00 0.00 30.24 27.18 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 3.65 -0.07 3.69 3.01 -1.26 -4.77 119.74 123.99 2jpa s LYS 104 Ca 0.00 1.29 0.02 0.00 -1.01 0.00 0.00 55.97 56.27 2jpa s LYS 104 Cb 0.00 -2.08 0.01 0.00 -1.01 0.00 0.00 37.83 34.76 2jpa s LYS 104 CO 0.00 -0.55 -0.12 0.15 0.51 0.00 0.00 175.35 175.33 2jpa s LYS 105 N -3.55 1.74 0.29 1.68 1.02 -1.26 -0.20 119.74 119.45 2jpa s LYS 105 Ca 0.66 -0.42 0.11 0.00 0.02 0.00 0.00 55.97 56.33 2jpa s LYS 105 Cb -0.16 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.66 2jpa s LYS 105 CO 0.26 0.02 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.52 2jpa s PHE 106 N 0.68 2.41 -2.43 3.18 0.08 -0.16 -4.93 117.98 116.81 2jpa s PHE 106 Ca -0.14 -0.33 0.23 0.00 0.12 0.00 0.00 56.93 56.82 2jpa s PHE 106 Cb -0.16 -1.10 0.11 0.00 -0.57 0.00 0.00 43.02 41.30 2jpa s PHE 106 CO 0.04 0.67 1.18 0.00 -0.10 0.00 0.00 175.22 177.01 2jpa n ALA 107 N -0.72 3.09 -2.68 5.36 0.00 -1.26 -1.15 120.51 123.14 2jpa n ALA 107 Ca -0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 2jpa n ALA 107 Cb 0.60 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.28 0.86 0.16 0.00 0.52 -1.26 -4.85 118.95 112.10 2jpa s ARG 108 Ca 0.23 -0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 54.91 2jpa s ARG 108 Cb 0.19 -0.83 0.06 0.00 0.52 0.00 0.00 34.95 34.89 2jpa s ARG 108 CO 0.46 0.21 1.76 1.03 0.02 0.00 0.00 175.30 178.78 2jpa h SER 109 N 5.93 0.16 -0.03 0.23 0.87 -1.96 -1.74 113.55 117.01 2jpa h SER 109 Ca -0.32 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 2jpa h SER 109 Cb 1.17 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2jpa h SER 109 CO 0.49 0.13 -0.16 -2.24 -0.53 0.00 0.00 176.83 174.52 2jpa h ASP 110 N 0.30 0.36 -0.88 6.23 2.03 -1.97 0.32 116.42 122.80 2jpa h ASP 110 Ca 0.16 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 2jpa h ASP 110 Cb 0.13 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.49 2jpa h ASP 110 CO -0.16 0.55 0.56 -0.33 -1.03 0.00 0.00 179.24 178.83 2jpa h GLU 111 N 0.35 1.18 -0.37 4.15 5.08 -1.80 0.20 114.58 123.37 2jpa h GLU 111 Ca 0.06 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2jpa h GLU 111 Cb 0.49 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jpa h GLU 111 CO 0.03 0.81 -0.36 1.25 -1.00 0.00 0.00 179.01 179.73 2jpa h LEU 112 N 1.20 0.96 -0.85 1.33 5.85 -0.52 -0.79 115.31 122.50 2jpa h LEU 112 Ca 0.32 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2jpa h LEU 112 Cb -0.09 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 2jpa h LEU 112 CO -0.06 1.23 0.55 -0.37 -0.34 0.00 0.00 178.44 179.45 2jpa h VAL 113 N 0.70 1.22 -0.23 1.05 -1.51 0.21 0.19 116.25 117.89 2jpa h VAL 113 Ca 0.06 -0.41 -0.03 0.00 -1.23 0.00 0.00 66.70 65.09 2jpa h VAL 113 Cb 0.96 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2jpa h VAL 113 CO 0.09 0.21 0.03 -0.09 -1.23 0.00 0.00 177.57 176.58 2jpa h ARG 114 N 1.15 0.39 -0.59 5.19 2.43 -0.62 -2.90 114.38 119.43 2jpa h ARG 114 Ca 0.31 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2jpa h ARG 114 Cb -0.12 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 2jpa h ARG 114 CO -0.07 0.54 0.30 1.25 -1.51 0.00 0.00 179.97 180.48 2jpa h HIS 115 N 0.18 0.54 -0.56 2.20 2.76 -0.33 0.28 115.15 120.22 2jpa h HIS 115 Ca 0.07 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.32 2jpa h HIS 115 Cb 0.35 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2jpa h HIS 115 CO 0.03 0.24 0.37 0.45 -1.30 0.00 0.00 177.93 177.72 2jpa h HIS 116 N 0.56 0.51 0.00 5.26 3.86 -0.63 0.44 115.15 125.15 2jpa h HIS 116 Ca 0.27 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2jpa h HIS 116 Cb 0.20 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2jpa h HIS 116 CO -0.10 0.28 0.00 -0.91 0.86 0.00 0.00 177.93 178.05 2jpa h ASN 117 N 0.51 0.00 1.46 2.45 2.35 -0.74 -1.51 115.58 120.09 2jpa h ASN 117 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2jpa h ASN 117 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2jpa h ASN 117 CO -0.07 0.00 0.00 0.24 -1.65 0.00 0.00 177.43 175.95 2jpa h MET 118 N 0.00 0.00 -0.02 0.81 2.86 -0.49 -3.51 114.93 114.58 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 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2jpa h MET 118 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69