#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa h SER 2 N 0.00 0.00 -0.87 0.00 0.02 -1.80 0.40 113.55 111.30 2jpa h SER 2 Ca 0.00 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 2jpa h SER 2 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2jpa h SER 2 CO 0.00 0.00 0.58 -0.08 -1.14 0.00 0.00 176.83 176.19 2jpa h GLU 3 N 0.00 0.38 -0.19 3.45 4.81 -2.00 -1.09 114.58 119.95 2jpa h GLU 3 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jpa h GLU 3 Cb 0.68 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2jpa h GLU 3 CO -0.00 0.25 0.00 1.63 -0.73 0.00 0.00 179.01 180.16 2jpa n LYS 4 N -4.49 2.40 -3.07 1.92 5.02 0.04 -4.73 118.16 115.25 2jpa n LYS 4 Ca 0.18 -1.69 -0.18 0.00 -2.02 0.00 0.00 58.31 54.59 2jpa n LYS 4 Cb 0.67 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 2jpa n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jpa n ARG 5 N 0.21 0.80 -2.33 1.97 3.00 -0.44 -4.94 116.66 114.93 2jpa n ARG 5 Ca 0.07 -2.86 -0.31 0.00 -0.00 0.00 0.00 57.85 54.74 2jpa n ARG 5 Cb 0.33 -1.35 -0.02 0.00 0.00 0.00 0.00 32.46 31.42 2jpa n ARG 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2jpa s PRO 6 N -0.97 3.82 0.18 -0.14 0.04 -1.05 -4.55 135.00 132.32 2jpa s PRO 6 Ca 0.34 0.80 0.07 0.00 0.04 0.00 0.00 61.00 62.25 2jpa s PRO 6 Cb 0.23 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2jpa s PRO 6 CO -0.13 -0.31 -0.13 -0.06 0.04 0.00 0.00 177.00 176.41 2jpa s PHE 7 N -2.74 1.54 0.04 0.56 0.40 -0.21 -5.01 117.98 112.57 2jpa s PHE 7 Ca 0.56 -0.62 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2jpa s PHE 7 Cb -0.10 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 2jpa s PHE 7 CO 0.38 0.25 -0.07 -1.64 0.70 0.00 0.00 175.22 174.83 2jpa s MET 8 N -3.52 0.51 0.11 0.44 -1.94 -1.26 -0.32 119.30 113.31 2jpa s MET 8 Ca 0.19 -0.74 -0.31 0.00 -1.71 0.00 0.00 55.69 53.11 2jpa s MET 8 Cb -0.00 -0.25 -0.08 0.00 2.01 0.00 0.00 34.83 36.50 2jpa s MET 8 CO 0.04 0.04 1.41 0.00 -0.01 0.00 0.00 175.02 176.50 2jpa n ALA 10 N 4.12 1.95 -2.21 0.00 0.00 -1.26 -3.26 120.51 119.85 2jpa n ALA 10 Ca 0.12 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2jpa n ALA 10 Cb 0.42 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.93 3.11 -0.25 0.00 5.04 -1.26 -4.91 117.35 116.14 2jpa s TYR 11 Ca 0.11 0.92 0.27 0.00 -2.44 0.00 0.00 57.07 55.94 2jpa s TYR 11 Cb 0.13 -3.66 1.16 0.00 0.35 0.00 0.00 41.96 39.95 2jpa s TYR 11 CO 0.36 -2.34 1.81 -1.00 -1.34 0.00 0.00 175.55 173.04 2jpa h PRO 12 N 7.20 0.00 -0.00 4.97 0.13 -2.03 -0.69 132.00 141.58 2jpa h PRO 12 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.87 0.00 -0.46 0.41 -0.23 0.00 0.00 178.00 178.59 2jpa n GLY 13 N -0.15 -1.15 0.21 1.56 0.00 -1.26 -4.71 105.19 99.69 2jpa n GLY 13 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.76 -2.96 -4.92 0.00 6.94 -0.68 -4.96 115.26 106.93 2jpa n ASN 15 Ca 0.00 0.29 -0.27 0.00 -0.02 0.00 0.00 54.58 54.58 2jpa n ASN 15 Cb 0.00 -2.57 0.05 0.00 -2.36 0.00 0.00 39.78 34.91 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jpa s LYS 16 N -5.01 2.52 0.11 -3.83 3.01 -1.26 -4.67 119.74 110.61 2jpa s LYS 16 Ca 0.00 -0.03 -0.00 0.00 -1.01 0.00 0.00 55.97 54.93 2jpa s LYS 16 Cb 0.00 -2.16 -0.04 0.00 -1.01 0.00 0.00 37.83 34.62 2jpa s LYS 16 CO 0.00 -1.06 0.28 -0.98 0.51 0.00 0.00 175.35 174.10 2jpa s ARG 17 N -5.21 3.48 0.14 1.68 1.04 -1.26 -0.02 118.95 118.81 2jpa s ARG 17 Ca 0.58 -0.40 0.02 0.00 -1.04 0.00 0.00 55.73 54.90 2jpa s ARG 17 Cb -0.11 -2.97 -0.04 0.00 -2.04 0.00 0.00 34.95 29.79 2jpa s ARG 17 CO 0.46 0.54 -0.04 0.71 -0.04 0.00 0.00 175.30 176.93 2jpa s TYR 18 N -1.63 1.13 -0.12 5.89 2.02 0.57 -4.91 117.35 120.30 2jpa s TYR 18 Ca 0.36 -0.92 0.04 0.00 -0.37 0.00 0.00 57.07 56.19 2jpa s TYR 18 Cb -0.12 -0.63 -0.06 0.00 -0.40 0.00 0.00 41.96 40.75 2jpa s TYR 18 CO 0.28 -0.12 0.15 1.19 -1.57 0.00 0.00 175.55 175.48 2jpa n PHE 19 N -0.17 0.00 -3.82 2.71 3.01 -1.26 -1.04 117.46 116.89 2jpa n PHE 19 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.10 2jpa n PHE 19 Cb 0.62 -0.04 -0.17 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 -1.77 1.01 0.31 -1.08 1.02 -1.26 -4.56 119.74 113.42 2jpa s LYS 20 Ca 0.00 -0.40 0.08 0.00 0.02 0.00 0.00 55.97 55.67 2jpa s LYS 20 Cb 0.03 -1.89 0.88 0.00 -0.52 0.00 0.00 37.83 36.33 2jpa s LYS 20 CO 0.18 -0.49 1.66 1.25 -0.92 0.00 0.00 175.35 177.02 2jpa h LEU 21 N 8.19 0.25 -0.20 3.17 5.85 -1.93 0.35 115.31 131.00 2jpa h LEU 21 Ca -0.20 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2jpa h LEU 21 Cb 1.11 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2jpa h LEU 21 CO 0.35 -0.13 -0.08 0.28 -0.34 0.00 0.00 178.44 178.51 2jpa h SER 22 N 0.28 0.42 0.38 1.25 0.02 -1.98 0.19 113.55 114.11 2jpa h SER 22 Ca 0.64 -0.40 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 2jpa h SER 22 Cb 1.36 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2jpa h SER 22 CO -0.63 0.73 -0.33 1.12 -1.14 0.00 0.00 176.83 176.58 2jpa h HIS 23 N 0.12 0.00 -0.09 3.45 2.07 -1.34 0.38 115.15 119.74 2jpa h HIS 23 Ca 0.05 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.39 2jpa h HIS 23 Cb 0.56 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.54 2jpa h HIS 23 CO 0.06 0.33 -0.71 1.25 -3.07 0.00 0.00 177.93 175.79 2jpa h LEU 24 N 0.00 0.49 -1.01 6.12 7.12 -0.32 -1.76 115.31 125.95 2jpa h LEU 24 Ca -0.00 -0.31 0.05 0.00 0.13 0.00 0.00 57.88 57.74 2jpa h LEU 24 Cb 0.61 -0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.53 2jpa h LEU 24 CO 0.04 1.05 0.66 -0.61 -0.13 0.00 0.00 178.44 179.45 2jpa h GLN 25 N 0.29 1.21 -0.02 1.25 -0.00 0.69 0.21 115.11 118.74 2jpa h GLN 25 Ca -0.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 2jpa h GLN 25 Cb 1.28 -0.27 -0.00 0.00 0.00 0.00 0.00 27.48 28.48 2jpa h GLN 25 CO 0.12 0.80 0.01 0.52 0.00 0.00 0.00 178.83 180.28 2jpa h MET 26 N 1.25 0.02 -0.56 1.69 2.86 -0.80 -2.82 114.93 116.57 2jpa h MET 26 Ca 0.41 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.10 2jpa h MET 26 Cb 0.05 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2jpa h MET 26 CO -0.14 0.18 0.37 1.25 1.06 0.00 0.00 176.91 179.64 2jpa h HIS 27 N -0.14 0.55 -0.52 -0.22 -0.00 -0.67 -1.71 115.15 112.44 2jpa h HIS 27 Ca 0.01 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.42 2jpa h HIS 27 Cb 0.17 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 2jpa h HIS 27 CO -0.02 0.30 0.34 0.77 -0.00 0.00 0.00 177.93 179.33 2jpa h SER 28 N 0.56 0.50 -0.92 3.26 0.02 -0.34 -1.70 113.55 114.91 2jpa h SER 28 Ca 0.24 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.32 2jpa h SER 28 Cb 0.24 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.59 2jpa h SER 28 CO -0.07 0.34 0.59 0.03 -1.14 0.00 0.00 176.83 176.58 2jpa h ARG 29 N 0.58 0.77 -0.40 3.45 3.08 -1.26 0.61 114.38 121.22 2jpa h ARG 29 Ca 0.21 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.26 2jpa h ARG 29 Cb 0.12 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2jpa h ARG 29 CO -0.05 0.51 0.13 -0.22 -1.07 0.00 0.00 179.97 179.27 2jpa h LYS 30 N 0.80 0.28 0.00 0.04 1.63 -1.46 -2.71 116.57 115.14 2jpa h LYS 30 Ca 0.46 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.23 2jpa h LYS 30 Cb 0.62 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2jpa h LYS 30 CO -0.22 0.18 -0.07 0.45 -3.45 0.00 0.00 179.45 176.34 2jpa h HIS 31 N 0.29 0.00 -0.28 1.91 3.86 -1.00 -2.29 115.15 117.64 2jpa h HIS 31 Ca 0.18 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.48 2jpa h HIS 31 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2jpa h HIS 31 CO -0.16 0.07 0.25 1.79 0.86 0.00 0.00 177.93 180.75 2jpa h THR 32 N 0.00 0.60 -0.01 2.45 1.35 -1.25 0.76 112.91 116.81 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 0.58 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2jpa h THR 32 CO 0.01 0.00 -0.49 0.61 -0.25 0.00 0.00 175.52 175.40 2jpa n GLY 33 N -1.50 -0.51 0.12 5.82 0.00 -0.86 -3.38 105.19 104.88 2jpa n GLY 33 Ca 0.04 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.66 0.70 -3.34 1.61 1.02 0.18 -4.73 120.64 115.41 2jpa n GLU 34 Ca 0.09 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.22 2jpa n GLU 34 Cb 0.39 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.55 0.76 0.84 3.49 2.20 -0.68 -5.12 119.74 118.67 2jpa s LYS 35 Ca -0.18 -1.50 -0.11 0.00 -0.36 0.00 0.00 55.97 53.81 2jpa s LYS 35 Cb 0.07 -1.08 0.10 0.00 -1.51 0.00 0.00 37.83 35.41 2jpa s LYS 35 CO 0.76 -1.29 1.09 -1.25 -0.36 0.00 0.00 175.35 174.30 2jpa s PRO 36 N 0.74 1.71 0.77 4.03 0.04 -1.22 -4.79 135.00 136.28 2jpa s PRO 36 Ca 0.25 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 2jpa s PRO 36 Cb -0.08 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.64 2jpa s PRO 36 CO -0.09 -1.91 1.08 0.71 0.04 0.00 0.00 177.00 176.83 2jpa s TYR 37 N -3.03 2.84 0.01 0.56 1.51 0.50 -4.84 117.35 114.91 2jpa s TYR 37 Ca 0.62 1.29 0.03 0.00 -1.01 0.00 0.00 57.07 58.00 2jpa s TYR 37 Cb -0.16 -3.04 -0.01 0.00 -0.11 0.00 0.00 41.96 38.63 2jpa s TYR 37 CO 0.56 -1.67 -0.10 -1.14 -1.11 0.00 0.00 175.55 172.09 2jpa s GLN 38 N -5.07 0.75 0.61 -0.62 0.74 -1.26 -0.82 119.66 113.98 2jpa s GLN 38 Ca 0.60 -0.52 -0.18 0.00 0.05 0.00 0.00 55.36 55.32 2jpa s GLN 38 Cb -0.15 -0.70 -0.03 0.00 1.10 0.00 0.00 33.01 33.23 2jpa s GLN 38 CO 0.55 0.18 1.17 0.00 -0.55 0.00 0.00 175.29 176.64 2jpa n ASP 40 N -1.77 2.35 -4.63 0.00 2.03 -1.26 -4.21 116.55 109.06 2jpa n ASP 40 Ca 0.13 -1.68 -0.43 0.00 0.52 0.00 0.00 54.79 53.33 2jpa n ASP 40 Cb 0.50 0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 41.06 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2jpa s PHE 41 N -1.88 2.29 0.35 -0.67 5.36 -1.26 -4.89 117.98 117.28 2jpa s PHE 41 Ca 0.21 0.66 0.39 0.00 -0.96 0.00 0.00 56.93 57.22 2jpa s PHE 41 Cb 0.16 -3.99 1.89 0.00 -0.34 0.00 0.00 43.02 40.74 2jpa s PHE 41 CO 0.34 -2.50 2.16 0.87 -1.46 0.00 0.00 175.22 174.64 2jpa h LYS 42 N 10.39 0.00 -0.27 10.12 6.56 -2.02 0.17 116.57 141.52 2jpa h LYS 42 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 2jpa h LYS 42 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2jpa h LYS 42 CO 1.02 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 178.16 2jpa n ASP 43 N -3.02 1.55 0.00 0.86 9.92 -1.26 -4.58 116.55 120.02 2jpa n ASP 43 Ca -0.01 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 2jpa n ASP 43 Cb 0.17 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jpa n GLU 45 N -1.80 -2.41 -2.36 0.00 -0.58 -0.03 -4.96 120.64 108.51 2jpa n GLU 45 Ca 0.00 0.62 -0.31 0.00 -0.42 0.00 0.00 57.16 57.05 2jpa n GLU 45 Cb 0.00 -5.25 -0.02 0.00 -0.57 0.00 0.00 31.44 25.60 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 -5.15 3.81 -0.03 3.49 1.81 -1.26 -4.65 118.95 116.97 2jpa s ARG 46 Ca 0.05 0.78 0.03 0.00 -1.72 0.00 0.00 55.73 54.87 2jpa s ARG 46 Cb -0.03 -2.18 -0.03 0.00 -0.45 0.00 0.00 34.95 32.27 2jpa s ARG 46 CO 0.06 -0.30 -0.11 -0.98 -0.68 0.00 0.00 175.30 173.29 2jpa s ARG 47 N -4.34 2.52 -0.01 3.54 3.03 -1.26 -0.37 118.95 122.06 2jpa s ARG 47 Ca 0.56 -0.70 0.02 0.00 2.03 0.00 0.00 55.73 57.64 2jpa s ARG 47 Cb -0.10 -2.43 -0.00 0.00 -1.03 0.00 0.00 34.95 31.38 2jpa s ARG 47 CO 0.38 0.62 -0.07 -0.06 -1.13 0.00 0.00 175.30 175.03 2jpa s PHE 48 N -0.83 0.69 0.16 5.89 0.08 0.00 -4.96 117.98 119.00 2jpa s PHE 48 Ca 0.13 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.95 2jpa s PHE 48 Cb -0.11 -0.46 -0.00 0.00 -0.57 0.00 0.00 43.02 41.88 2jpa s PHE 48 CO 0.03 -0.02 1.52 0.66 -0.10 0.00 0.00 175.22 177.30 2jpa h SER 49 N 6.04 1.00 -3.37 1.36 4.64 -1.85 0.14 113.55 121.51 2jpa h SER 49 Ca -0.30 -0.42 -0.65 0.00 -0.47 0.00 0.00 61.79 59.95 2jpa h SER 49 Cb 1.18 -0.28 -0.16 0.00 -0.31 0.00 0.00 62.40 62.84 2jpa h SER 49 CO 0.50 1.21 -0.74 -0.60 -0.87 0.00 0.00 176.83 176.33 2jpa s ARG 50 N -4.53 2.04 0.28 4.77 3.52 -1.26 -4.48 118.95 119.29 2jpa s ARG 50 Ca -0.11 -1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 54.33 2jpa s ARG 50 Cb 0.12 -2.21 0.45 0.00 -1.56 0.00 0.00 34.95 31.75 2jpa s ARG 50 CO 0.87 0.47 1.90 0.77 -0.81 0.00 0.00 175.30 178.51 2jpa h SER 51 N 3.35 0.99 -0.56 -2.12 0.02 -2.00 -1.69 113.55 111.54 2jpa h SER 51 Ca -0.48 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 2jpa h SER 51 Cb 1.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2jpa h SER 51 CO 0.52 0.64 -0.02 -0.78 -1.14 0.00 0.00 176.83 176.05 2jpa h ASP 52 N 1.12 0.98 -0.33 3.07 3.58 -1.98 0.11 116.42 122.99 2jpa h ASP 52 Ca 0.41 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2jpa h ASP 52 Cb 0.16 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2jpa h ASP 52 CO -0.16 1.06 0.19 1.56 -2.88 0.00 0.00 179.24 179.01 2jpa h GLN 53 N 0.88 0.45 -0.15 0.28 4.20 -1.76 0.15 115.11 119.17 2jpa h GLN 53 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2jpa h GLN 53 Cb 0.56 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2jpa h GLN 53 CO 0.03 0.37 0.07 1.25 -0.67 0.00 0.00 178.83 179.88 2jpa h LEU 54 N 0.41 0.20 -0.55 1.46 5.85 -1.21 -0.96 115.31 120.51 2jpa h LEU 54 Ca 0.12 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2jpa h LEU 54 Cb 0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2jpa h LEU 54 CO -0.02 0.26 0.33 0.11 -0.34 0.00 0.00 178.44 178.78 2jpa h LYS 55 N 0.11 0.63 -0.32 1.25 1.57 -0.43 0.16 116.57 119.55 2jpa h LYS 55 Ca 0.05 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2jpa h LYS 55 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2jpa h LYS 55 CO -0.01 0.42 0.21 0.00 -0.57 0.00 0.00 179.45 179.50 2jpa h ARG 56 N 0.65 0.41 -0.68 3.15 3.08 -0.66 -2.90 114.38 117.43 2jpa h ARG 56 Ca 0.22 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2jpa h ARG 56 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2jpa h ARG 56 CO -0.10 0.27 0.41 1.25 -1.07 0.00 0.00 179.97 180.73 2jpa h HIS 57 N 0.42 0.88 -0.94 3.04 -0.00 -0.11 -1.71 115.15 116.73 2jpa h HIS 57 Ca 0.12 0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.66 2jpa h HIS 57 Cb -0.04 -0.29 -0.08 0.00 -0.00 0.00 0.00 27.41 27.00 2jpa h HIS 57 CO -0.06 0.58 0.60 1.96 -0.00 0.00 0.00 177.93 181.01 2jpa h GLN 58 N 0.93 0.70 -0.66 5.26 1.08 -0.51 -0.65 115.11 121.27 2jpa h GLN 58 Ca 0.24 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.53 2jpa h GLN 58 Cb -0.05 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 2jpa h GLN 58 CO -0.05 0.46 0.45 0.00 -0.95 0.00 0.00 178.83 178.74 2jpa h ARG 59 N 0.72 0.33 -0.40 1.46 3.08 -1.34 -1.29 114.38 116.94 2jpa h ARG 59 Ca 0.49 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.60 2jpa h ARG 59 Cb 0.80 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2jpa h ARG 59 CO -0.26 0.22 0.27 -0.09 -1.07 0.00 0.00 179.97 179.04 2jpa h ARG 60 N 0.34 0.21 -1.70 0.04 2.43 -1.25 0.40 114.38 114.85 2jpa h ARG 60 Ca 0.32 -0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.98 2jpa h ARG 60 Cb 0.77 -0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 29.86 2jpa h ARG 60 CO -0.08 0.14 -1.00 -2.39 -1.51 0.00 0.00 179.97 175.13 2jpa n HIS 61 N -4.47 1.84 0.00 2.20 1.44 -0.51 -4.50 115.22 111.23 2jpa n HIS 61 Ca 0.05 -3.45 0.00 0.00 -2.01 0.00 0.00 57.72 52.32 2jpa n HIS 61 Cb 0.31 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.06 2jpa n HIS 61 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2jpa n THR 62 N -0.06 0.00 -0.23 0.61 -2.24 -1.07 -4.99 114.28 106.30 2jpa n THR 62 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2jpa n THR 62 Cb 0.65 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2jpa n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jpa n GLY 63 N -0.56 0.90 5.00 3.38 0.00 -1.02 -5.06 105.19 107.82 2jpa n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jpa n GLY 63 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jpa n VAL 64 N -0.11 0.00 -3.31 1.61 0.31 0.14 -4.46 118.33 112.50 2jpa n VAL 64 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2jpa n VAL 64 Cb 0.06 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.93 2jpa n VAL 64 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2jpa s LYS 65 N 0.00 0.52 0.17 5.55 -2.85 -1.26 -4.36 119.74 117.50 2jpa s LYS 65 Ca 0.00 -0.21 0.20 0.00 -1.00 0.00 0.00 55.97 54.96 2jpa s LYS 65 Cb 0.00 -0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 35.34 2jpa s LYS 65 CO 0.00 -1.10 1.02 -1.00 0.10 0.00 0.00 175.35 174.37 2jpa h PRO 66 N 7.73 0.00 -5.96 1.78 0.13 -1.67 -3.39 132.00 130.62 2jpa h PRO 66 Ca -0.04 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.52 2jpa h PRO 66 Cb 1.11 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 2jpa h PRO 66 CO 0.23 0.14 1.58 -0.06 -0.23 0.00 0.00 178.00 179.66 2jpa s PHE 67 N -3.17 2.48 -0.15 1.56 0.08 -0.15 -4.87 117.98 113.77 2jpa s PHE 67 Ca -0.01 -0.81 -0.19 0.00 0.12 0.00 0.00 56.93 56.04 2jpa s PHE 67 Cb 0.09 -4.60 -0.04 0.00 -0.57 0.00 0.00 43.02 37.90 2jpa s PHE 67 CO 0.79 -1.84 0.52 -1.14 -0.10 0.00 0.00 175.22 173.45 2jpa s GLN 68 N 5.10 4.29 0.44 0.44 0.74 -1.26 -0.66 119.66 128.74 2jpa s GLN 68 Ca 0.52 0.49 -0.25 0.00 0.05 0.00 0.00 55.36 56.17 2jpa s GLN 68 Cb 0.00 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.54 2jpa s GLN 68 CO -0.03 0.01 1.31 0.00 -0.55 0.00 0.00 175.29 176.04 2jpa n LYS 70 N -0.14 0.18 -0.03 0.00 3.00 -1.26 -2.91 118.16 116.99 2jpa n LYS 70 Ca 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 58.31 58.36 2jpa n LYS 70 Cb 0.44 -1.57 -0.00 0.00 0.00 0.00 0.00 35.03 33.89 2jpa n LYS 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2jpa h THR 71 N 0.00 0.00 -0.17 3.15 2.02 -1.97 -3.40 112.91 112.54 2jpa h THR 71 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2jpa h THR 71 Cb 0.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2jpa h THR 71 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2jpa n GLN 73 N 1.26 -1.26 -1.17 0.00 1.13 -1.15 -4.99 117.38 111.20 2jpa n GLN 73 Ca 0.17 1.02 -0.29 0.00 -1.94 0.00 0.00 57.00 55.96 2jpa n GLN 73 Cb 0.57 -5.26 0.20 0.00 0.11 0.00 0.00 30.24 25.86 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 -3.24 -0.29 0.01 -1.09 1.81 -1.26 -4.71 118.95 110.18 2jpa s ARG 74 Ca 0.00 0.21 0.01 0.00 -1.72 0.00 0.00 55.73 54.24 2jpa s ARG 74 Cb 0.00 -1.68 -0.01 0.00 -0.45 0.00 0.00 34.95 32.81 2jpa s ARG 74 CO 0.00 -3.15 -0.04 0.15 -0.68 0.00 0.00 175.30 171.58 2jpa s LYS 75 N -5.19 0.33 0.15 3.54 1.02 -1.26 -0.40 119.74 117.93 2jpa s LYS 75 Ca 0.68 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 56.40 2jpa s LYS 75 Cb -0.14 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 2jpa s LYS 75 CO 0.57 0.06 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.95 2jpa s PHE 76 N -0.47 1.16 -0.92 3.18 0.08 0.17 -4.96 117.98 116.22 2jpa s PHE 76 Ca -0.03 -0.91 0.22 0.00 0.12 0.00 0.00 56.93 56.33 2jpa s PHE 76 Cb -0.04 -0.65 -0.09 0.00 -0.57 0.00 0.00 43.02 41.68 2jpa s PHE 76 CO -0.00 -0.10 0.98 0.43 -0.10 0.00 0.00 175.22 176.42 2jpa n SER 77 N -0.19 0.83 -3.88 1.36 7.64 -1.26 -0.97 113.62 117.15 2jpa n SER 77 Ca -0.09 -0.75 -0.11 0.00 1.01 0.00 0.00 58.87 58.93 2jpa n SER 77 Cb 0.62 0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 64.62 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 -3.04 0.40 0.33 1.43 0.52 -1.26 -4.81 118.95 112.52 2jpa s ARG 78 Ca 0.07 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.05 2jpa s ARG 78 Cb 0.16 0.17 0.59 0.00 0.52 0.00 0.00 34.95 36.38 2jpa s ARG 78 CO 0.84 -0.09 1.77 1.03 0.02 0.00 0.00 175.30 178.87 2jpa h SER 79 N 4.62 0.14 -0.60 0.23 0.87 -1.97 -0.98 113.55 115.85 2jpa h SER 79 Ca -0.30 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.16 2jpa h SER 79 Cb 1.20 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 2jpa h SER 79 CO 0.41 0.51 0.21 -2.24 -0.53 0.00 0.00 176.83 175.18 2jpa h ASP 80 N 0.12 0.88 0.04 6.23 3.04 -1.99 0.16 116.42 124.91 2jpa h ASP 80 Ca 0.01 -0.14 -0.16 0.00 -3.24 0.00 0.00 57.03 53.49 2jpa h ASP 80 Cb 0.72 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.77 2jpa h ASP 80 CO 0.05 0.82 -0.57 0.45 -2.04 0.00 0.00 179.24 177.95 2jpa h HIS 81 N 0.93 0.69 -0.14 4.15 3.86 -1.89 -1.70 115.15 121.06 2jpa h HIS 81 Ca 0.21 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2jpa h HIS 81 Cb 0.25 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2jpa h HIS 81 CO 0.02 0.99 -0.02 1.25 0.86 0.00 0.00 177.93 181.03 2jpa h LEU 82 N 0.42 0.25 -0.96 2.43 6.46 -0.52 0.27 115.31 123.66 2jpa h LEU 82 Ca 0.00 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.40 2jpa h LEU 82 Cb 1.12 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 2jpa h LEU 82 CO 0.11 0.53 0.47 0.11 -0.62 0.00 0.00 178.44 179.04 2jpa h LYS 83 N -0.04 1.20 -0.04 1.25 1.57 -0.75 0.41 116.57 120.17 2jpa h LYS 83 Ca 0.04 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jpa h LYS 83 Cb 0.41 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jpa h LYS 83 CO 0.01 0.88 0.02 1.15 -0.57 0.00 0.00 179.45 180.94 2jpa h THR 84 N 1.21 1.06 -0.26 -0.16 2.02 -1.14 -2.58 112.91 113.05 2jpa h THR 84 Ca 0.30 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2jpa h THR 84 Cb 0.02 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2jpa h THR 84 CO -0.05 0.05 0.04 -0.74 0.37 0.00 0.00 175.52 175.19 2jpa h HIS 85 N -0.00 0.37 -0.96 3.16 -0.00 -0.03 -1.87 115.15 115.81 2jpa h HIS 85 Ca 0.01 -0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.50 2jpa h HIS 85 Cb 0.06 -0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 27.27 2jpa h HIS 85 CO -0.06 0.35 0.61 1.15 -0.00 0.00 0.00 177.93 179.98 2jpa h THR 86 N 0.37 0.88 0.00 6.26 2.02 0.21 0.34 112.91 122.99 2jpa h THR 86 Ca 0.09 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2jpa h THR 86 Cb 0.18 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2jpa h THR 86 CO -0.00 0.16 -0.02 0.03 0.37 0.00 0.00 175.52 176.06 2jpa h ARG 87 N 0.88 0.00 -0.48 6.66 3.08 -1.21 -1.04 114.38 122.25 2jpa h ARG 87 Ca 0.48 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.61 2jpa h ARG 87 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 2jpa h ARG 87 CO -0.25 0.02 0.13 1.15 -1.07 0.00 0.00 179.97 179.95 2jpa h THR 88 N 0.00 0.77 0.00 2.04 2.02 -1.04 0.11 112.91 116.81 2jpa h THR 88 Ca -0.00 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 2jpa h THR 88 Cb 0.10 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2jpa h THR 88 CO 0.00 0.05 -0.54 0.45 0.37 0.00 0.00 175.52 175.86 2jpa h HIS 89 N 0.28 0.00 -0.01 3.16 3.86 -1.33 -3.25 115.15 117.86 2jpa h HIS 89 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2jpa h HIS 89 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2jpa h HIS 89 CO -0.20 0.54 -0.36 2.41 0.86 0.00 0.00 177.93 181.18 2jpa n THR 90 N -3.55 0.00 -1.93 2.45 -1.04 -0.68 -4.94 114.28 104.59 2jpa n THR 90 Ca -0.00 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 2jpa n THR 90 Cb 0.62 0.48 -0.06 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.97 3.65 3.41 0.00 0.29 -4.95 105.19 109.96 2jpa n GLY 91 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.30 4.18 -0.44 1.61 2.12 -1.01 -5.03 118.70 115.83 2jpa s GLU 92 Ca 0.00 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.80 2jpa s GLU 92 Cb 0.00 -3.58 0.14 0.00 0.26 0.00 0.00 34.13 30.95 2jpa s GLU 92 CO 0.00 -0.21 0.26 0.15 -0.54 0.00 0.00 175.26 174.93 2jpa s LYS 93 N 1.82 1.16 0.30 4.30 3.01 -1.26 -4.45 119.74 124.62 2jpa s LYS 93 Ca 0.25 -1.97 0.24 0.00 -1.01 0.00 0.00 55.97 53.48 2jpa s LYS 93 Cb -0.16 -2.07 0.34 0.00 -1.01 0.00 0.00 37.83 34.94 2jpa s LYS 93 CO 0.10 -1.21 1.46 -1.00 0.51 0.00 0.00 175.35 175.21 2jpa h PRO 94 N 6.55 0.00 -5.12 -1.68 0.13 -1.80 -3.40 132.00 126.68 2jpa h PRO 94 Ca 0.05 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.47 2jpa h PRO 94 Cb 0.92 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.93 2jpa h PRO 94 CO 0.44 0.00 1.96 1.19 -0.23 0.00 0.00 178.00 181.36 2jpa n PHE 95 N -2.73 4.56 -2.70 1.56 3.72 -0.32 -4.90 117.46 116.65 2jpa n PHE 95 Ca 0.03 -3.04 -0.39 0.00 -0.05 0.00 0.00 57.45 54.00 2jpa n PHE 95 Cb 0.51 -2.42 -0.06 0.00 -0.94 0.00 0.00 39.48 36.57 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 3.37 7.39 0.80 4.37 0.15 -1.26 -0.84 113.70 127.67 2jpa s SER 96 Ca 0.48 1.97 -0.11 0.00 0.70 0.00 0.00 55.95 58.99 2jpa s SER 96 Cb 0.03 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2jpa s SER 96 CO 0.03 -0.04 1.09 0.00 1.20 0.00 0.00 173.24 175.52 2jpa n ARG 98 N -3.57 0.00 -1.03 0.00 3.00 -1.26 -4.59 116.66 109.20 2jpa n ARG 98 Ca 0.08 0.00 0.14 0.00 -0.01 0.00 0.00 57.85 58.06 2jpa n ARG 98 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.96 2jpa n ARG 98 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2jpa n TRP 99 N -0.49 -3.18 -0.29 -1.55 7.02 -1.26 -1.70 117.44 115.99 2jpa n TRP 99 Ca 0.00 1.29 0.11 0.00 -1.02 0.00 0.00 57.50 57.88 2jpa n TRP 99 Cb 0.00 -2.38 0.27 0.00 -2.42 0.00 0.00 31.31 26.78 2jpa n TRP 99 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 2jpa h PRO 100 N 0.00 0.33 0.00 -0.99 0.11 -2.01 -3.37 132.00 126.07 2jpa h PRO 100 Ca 0.02 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2jpa h PRO 100 Cb 0.94 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.85 2jpa h PRO 100 CO 0.01 0.22 -0.15 0.43 -0.21 0.00 0.00 178.00 178.30 2jpa n SER 101 N -5.10 -1.73 -4.50 -2.05 7.64 -1.25 -5.17 113.62 101.45 2jpa n SER 101 Ca 0.20 -2.44 -0.26 0.00 1.01 0.00 0.00 58.87 57.38 2jpa n SER 101 Cb 0.60 1.30 0.13 0.00 -1.01 0.00 0.00 64.21 65.24 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 -3.15 0.00 -2.71 0.00 -0.06 -1.26 -4.88 117.38 105.32 2jpa n GLN 103 Ca 0.15 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.74 2jpa n GLN 103 Cb 0.60 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.73 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 4.77 -0.05 3.69 3.01 -1.26 -4.87 119.74 125.03 2jpa s LYS 104 Ca 0.00 1.51 0.03 0.00 -1.01 0.00 0.00 55.97 56.50 2jpa s LYS 104 Cb 0.00 -3.31 0.01 0.00 -1.01 0.00 0.00 37.83 33.51 2jpa s LYS 104 CO 0.00 0.35 -0.13 0.15 0.51 0.00 0.00 175.35 176.23 2jpa s LYS 105 N -0.66 1.60 0.35 1.68 1.02 -1.26 -0.43 119.74 122.04 2jpa s LYS 105 Ca 0.44 -0.45 0.09 0.00 0.02 0.00 0.00 55.97 56.07 2jpa s LYS 105 Cb -0.25 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 2jpa s LYS 105 CO 0.32 0.10 0.05 -0.06 -0.92 0.00 0.00 175.35 174.84 2jpa s PHE 106 N 0.41 2.58 -2.22 3.18 0.08 -0.02 -4.89 117.98 117.09 2jpa s PHE 106 Ca -0.10 -0.44 0.23 0.00 0.12 0.00 0.00 56.93 56.74 2jpa s PHE 106 Cb -0.13 -1.56 0.11 0.00 -0.57 0.00 0.00 43.02 40.87 2jpa s PHE 106 CO 0.03 0.43 1.17 0.00 -0.10 0.00 0.00 175.22 176.75 2jpa n ALA 107 N -1.01 3.29 -2.72 5.36 0.00 -1.26 -1.17 120.51 122.99 2jpa n ALA 107 Ca -0.04 -0.63 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 2jpa n ALA 107 Cb 0.62 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.37 0.63 0.14 0.00 0.52 -1.26 -4.85 118.95 111.76 2jpa s ARG 108 Ca 0.21 -0.37 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 2jpa s ARG 108 Cb 0.19 -0.59 0.02 0.00 0.52 0.00 0.00 34.95 35.08 2jpa s ARG 108 CO 0.51 0.16 1.74 0.66 0.02 0.00 0.00 175.30 178.39 2jpa h SER 109 N 5.70 0.07 -0.21 0.23 4.64 -1.96 -1.78 113.55 120.23 2jpa h SER 109 Ca -0.31 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 2jpa h SER 109 Cb 1.19 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2jpa h SER 109 CO 0.48 0.07 0.03 -2.24 -0.87 0.00 0.00 176.83 174.31 2jpa h ASP 110 N 0.20 0.42 -0.71 4.97 3.04 -1.98 0.91 116.42 123.28 2jpa h ASP 110 Ca 0.13 -0.06 -0.00 0.00 -3.24 0.00 0.00 57.03 53.86 2jpa h ASP 110 Cb 0.12 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2jpa h ASP 110 CO -0.15 0.46 0.43 -0.33 -2.04 0.00 0.00 179.24 177.61 2jpa h GLU 111 N 0.45 0.96 -0.49 4.15 5.08 -1.81 0.16 114.58 123.08 2jpa h GLU 111 Ca 0.10 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2jpa h GLU 111 Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2jpa h GLU 111 CO 0.00 0.68 -0.15 1.25 -1.00 0.00 0.00 179.01 179.79 2jpa h LEU 112 N 0.96 0.95 -0.49 1.33 5.85 -0.48 0.07 115.31 123.50 2jpa h LEU 112 Ca 0.25 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2jpa h LEU 112 Cb -0.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2jpa h LEU 112 CO -0.05 1.09 0.27 0.58 -0.34 0.00 0.00 178.44 179.99 2jpa h VAL 113 N 0.83 1.01 -0.32 1.05 2.07 -0.36 0.34 116.25 120.88 2jpa h VAL 113 Ca 0.12 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2jpa h VAL 113 Cb 0.70 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2jpa h VAL 113 CO 0.05 0.10 0.18 -0.09 0.02 0.00 0.00 177.57 177.83 2jpa h ARG 114 N 0.53 0.44 -0.31 1.57 2.43 -0.49 -1.36 114.38 117.20 2jpa h ARG 114 Ca 0.20 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2jpa h ARG 114 Cb 0.06 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2jpa h ARG 114 CO -0.12 0.37 -0.04 1.25 -1.51 0.00 0.00 179.97 179.92 2jpa h HIS 115 N 0.40 -0.09 -0.99 2.20 2.76 -0.41 0.79 115.15 119.81 2jpa h HIS 115 Ca 0.11 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.39 2jpa h HIS 115 Cb 0.05 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 2jpa h HIS 115 CO -0.03 -0.09 0.64 0.45 -1.30 0.00 0.00 177.93 177.59 2jpa h HIS 116 N 0.05 1.17 0.00 5.26 3.86 -0.76 -0.30 115.15 124.42 2jpa h HIS 116 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2jpa h HIS 116 Cb 0.21 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2jpa h HIS 116 CO -0.26 0.57 0.00 -0.97 0.86 0.00 0.00 177.93 178.13 2jpa h ASN 117 N 1.11 0.00 -0.16 2.45 -0.00 0.29 -1.88 115.58 117.39 2jpa h ASN 117 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.74 2jpa h ASN 117 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 2jpa h ASN 117 CO -0.19 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.47 2jpa n MET 118 N -2.41 2.10 0.00 6.67 2.81 -0.28 -5.08 117.12 120.93 2jpa n MET 118 Ca 0.01 -1.58 0.09 0.00 -1.81 0.00 0.00 57.70 54.41 2jpa n MET 118 Cb 0.22 -1.16 0.55 0.00 -0.71 0.00 0.00 33.22 32.12 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06