#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 0.00 0.00 0.02 -2.06 -3.32 113.55 108.19 2jpa h SER 2 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 2jpa h SER 2 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 2jpa h SER 2 CO 0.00 0.26 3.34 -1.84 -1.14 0.00 0.00 176.83 177.45 2jpa n GLU 3 N -3.60 3.03 -1.00 3.45 0.00 -1.26 -4.79 120.64 116.47 2jpa n GLU 3 Ca -0.01 -2.08 -0.24 0.00 0.00 0.00 0.00 57.16 54.83 2jpa n GLU 3 Cb 0.39 -2.82 -0.07 0.00 0.00 0.00 0.00 31.44 28.94 2jpa n GLU 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jpa n LYS 4 N 4.42 2.56 -3.33 3.44 5.02 -1.25 -4.60 118.16 124.42 2jpa n LYS 4 Ca 0.64 -1.52 -0.24 0.00 -2.02 0.00 0.00 58.31 55.18 2jpa n LYS 4 Cb 0.25 -2.39 -0.09 0.00 -0.02 0.00 0.00 35.03 32.78 2jpa n LYS 4 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2jpa s ARG 5 N 2.16 0.81 0.04 1.97 1.70 -1.26 -5.13 118.95 119.24 2jpa s ARG 5 Ca 0.57 -1.67 -0.30 0.00 -0.47 0.00 0.00 55.73 53.86 2jpa s ARG 5 Cb 0.19 -1.15 -0.05 0.00 -0.57 0.00 0.00 34.95 33.38 2jpa s ARG 5 CO -0.03 -1.32 1.12 -1.25 -1.08 0.00 0.00 175.30 172.74 2jpa s PRO 6 N 0.53 4.48 0.37 3.89 0.04 -1.26 -4.54 135.00 138.51 2jpa s PRO 6 Ca 0.28 1.65 0.08 0.00 0.04 0.00 0.00 61.00 63.04 2jpa s PRO 6 Cb -0.04 -3.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 2jpa s PRO 6 CO -0.12 -0.18 -0.01 -0.06 0.04 0.00 0.00 177.00 176.66 2jpa s PHE 7 N 1.05 2.49 0.09 0.56 0.08 -0.09 -4.99 117.98 117.16 2jpa s PHE 7 Ca 0.56 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 57.07 2jpa s PHE 7 Cb -0.26 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2jpa s PHE 7 CO 0.29 0.48 -0.06 0.00 -0.10 0.00 0.00 175.22 175.83 2jpa s MET 8 N -3.69 0.77 0.02 0.44 0.23 -1.26 -0.69 119.30 115.11 2jpa s MET 8 Ca 0.35 -1.25 -0.28 0.00 -1.03 0.00 0.00 55.69 53.48 2jpa s MET 8 Cb 0.05 -0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.13 2jpa s MET 8 CO 0.18 -0.02 0.91 0.00 -2.03 0.00 0.00 175.02 174.06 2jpa n ALA 10 N 3.53 2.44 -2.24 0.00 0.00 -1.26 -3.60 120.51 119.38 2jpa n ALA 10 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2jpa n ALA 10 Cb 0.51 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.74 3.05 -0.49 0.00 5.04 -1.26 -4.89 117.35 116.07 2jpa s TYR 11 Ca 0.23 0.93 0.23 0.00 -2.44 0.00 0.00 57.07 56.02 2jpa s TYR 11 Cb 0.20 -3.63 0.98 0.00 0.35 0.00 0.00 41.96 39.85 2jpa s TYR 11 CO 0.49 -2.25 1.71 -0.35 -1.34 0.00 0.00 175.55 173.81 2jpa n PRO 12 N 4.76 0.19 0.00 4.97 -0.04 -1.26 -0.99 135.00 142.63 2jpa n PRO 12 Ca 0.12 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 2jpa n PRO 12 Cb 0.44 -1.87 0.42 0.00 -0.04 0.00 0.00 33.50 32.45 2jpa n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jpa n GLY 13 N 0.01 -0.25 1.02 0.55 0.00 -1.26 -4.64 105.19 100.62 2jpa n GLY 13 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.76 -2.53 -2.58 0.00 6.94 -0.16 -4.95 115.26 109.22 2jpa n ASN 15 Ca 0.00 -0.62 -0.06 0.00 -0.02 0.00 0.00 54.58 53.88 2jpa n ASN 15 Cb 0.00 -2.15 0.03 0.00 -2.36 0.00 0.00 39.78 35.30 2jpa n ASN 15 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jpa n LYS 16 N -3.72 0.27 -4.41 -3.83 5.02 -1.26 -4.75 118.16 105.47 2jpa n LYS 16 Ca 0.05 -0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 55.45 2jpa n LYS 16 Cb 0.49 -0.20 -0.11 0.00 -0.02 0.00 0.00 35.03 35.19 2jpa n LYS 16 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jpa s ARG 17 N -3.19 1.61 0.21 1.97 1.81 -1.26 -0.89 118.95 119.20 2jpa s ARG 17 Ca 0.17 -1.51 -0.03 0.00 -1.72 0.00 0.00 55.73 52.64 2jpa s ARG 17 Cb -0.01 -1.88 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 2jpa s ARG 17 CO 0.11 0.40 0.18 0.71 -0.68 0.00 0.00 175.30 176.02 2jpa s TYR 18 N -1.75 1.05 0.00 -0.53 2.02 0.13 -4.88 117.35 113.39 2jpa s TYR 18 Ca 0.22 -1.29 0.00 0.00 -0.37 0.00 0.00 57.07 55.63 2jpa s TYR 18 Cb -0.08 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 41.03 2jpa s TYR 18 CO 0.11 -0.69 0.01 1.19 -1.57 0.00 0.00 175.55 174.60 2jpa n PHE 19 N -0.29 0.00 -3.80 2.71 3.72 -1.26 -0.91 117.46 117.62 2jpa n PHE 19 Ca 0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 2jpa n PHE 19 Cb 0.65 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.03 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 -0.67 0.94 0.30 -1.08 -0.14 -1.26 -4.74 119.74 113.08 2jpa s LYS 20 Ca 0.00 -0.31 0.06 0.00 -1.36 0.00 0.00 55.97 54.37 2jpa s LYS 20 Cb 0.00 -1.75 0.82 0.00 -1.68 0.00 0.00 37.83 35.22 2jpa s LYS 20 CO 0.00 -0.47 1.68 1.25 -0.76 0.00 0.00 175.35 177.05 2jpa h LEU 21 N 8.22 0.33 -0.19 3.17 5.85 -1.94 0.31 115.31 131.06 2jpa h LEU 21 Ca -0.20 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2jpa h LEU 21 Cb 1.12 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2jpa h LEU 21 CO 0.34 -0.06 -0.09 0.77 -0.34 0.00 0.00 178.44 179.06 2jpa h SER 22 N 0.35 0.40 0.43 1.25 4.64 -1.98 0.17 113.55 118.82 2jpa h SER 22 Ca 0.61 -0.41 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2jpa h SER 22 Cb 1.23 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2jpa h SER 22 CO -0.57 0.72 -0.38 1.12 -0.87 0.00 0.00 176.83 176.85 2jpa h HIS 23 N 0.08 0.00 -0.07 4.77 2.07 -1.52 0.61 115.15 121.09 2jpa h HIS 23 Ca 0.04 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.39 2jpa h HIS 23 Cb 0.57 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 2jpa h HIS 23 CO 0.06 0.38 -0.70 1.25 -3.07 0.00 0.00 177.93 175.85 2jpa h LEU 24 N 0.00 0.41 -0.69 6.12 7.12 -0.42 -1.56 115.31 126.29 2jpa h LEU 24 Ca -0.00 -0.27 0.04 0.00 0.13 0.00 0.00 57.88 57.78 2jpa h LEU 24 Cb 0.70 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.66 2jpa h LEU 24 CO 0.05 0.99 0.42 -0.61 -0.13 0.00 0.00 178.44 179.16 2jpa h GLN 25 N 0.24 0.79 -0.02 1.25 -0.00 0.68 0.27 115.11 118.32 2jpa h GLN 25 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2jpa h GLN 25 Cb 1.26 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.56 2jpa h GLN 25 CO 0.12 0.52 0.01 0.52 0.00 0.00 0.00 178.83 180.00 2jpa h MET 26 N 0.81 0.02 -0.93 1.69 2.86 -0.79 -2.64 114.93 115.96 2jpa h MET 26 Ca 0.28 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 2jpa h MET 26 Cb 0.05 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 2jpa h MET 26 CO -0.12 0.03 0.61 1.25 1.06 0.00 0.00 176.91 179.73 2jpa h HIS 27 N 0.01 1.11 -0.54 -0.22 -0.00 -0.73 -1.31 115.15 113.46 2jpa h HIS 27 Ca 0.01 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2jpa h HIS 27 Cb 0.01 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.02 2jpa h HIS 27 CO -0.07 0.62 0.36 0.77 -0.00 0.00 0.00 177.93 179.60 2jpa h SER 28 N 1.12 0.55 -0.90 3.26 0.02 -0.15 -1.29 113.55 116.16 2jpa h SER 28 Ca 0.38 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.43 2jpa h SER 28 Cb 0.09 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 2jpa h SER 28 CO -0.13 0.38 0.58 -0.09 -1.14 0.00 0.00 176.83 176.43 2jpa h ARG 29 N 0.64 0.84 -0.56 3.45 2.43 -0.90 0.53 114.38 120.81 2jpa h ARG 29 Ca 0.21 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2jpa h ARG 29 Cb 0.06 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 2jpa h ARG 29 CO -0.05 0.56 0.27 -0.22 -1.51 0.00 0.00 179.97 179.01 2jpa h LYS 30 N 0.87 0.49 0.00 0.20 3.11 -1.32 -2.56 116.57 117.36 2jpa h LYS 30 Ca 0.43 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.22 2jpa h LYS 30 Cb 0.46 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2jpa h LYS 30 CO -0.19 0.32 -0.09 0.45 -2.81 0.00 0.00 179.45 177.14 2jpa h HIS 31 N 0.50 0.00 -0.29 1.91 3.86 -0.98 -2.30 115.15 117.85 2jpa h HIS 31 Ca 0.26 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.56 2jpa h HIS 31 Cb 0.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2jpa h HIS 31 CO -0.12 0.09 0.22 1.79 0.86 0.00 0.00 177.93 180.77 2jpa h THR 32 N 0.00 0.82 -0.02 2.45 1.35 -1.19 0.70 112.91 117.02 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 0.64 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2jpa h THR 32 CO 0.01 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 175.84 2jpa n GLY 33 N -1.59 0.58 0.12 5.82 0.00 -0.87 -3.52 105.19 105.74 2jpa n GLY 33 Ca 0.04 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 0.83 0.64 -3.37 1.61 2.13 0.18 -4.79 120.64 117.87 2jpa n GLU 34 Ca 0.15 0.40 -0.24 0.00 0.66 0.00 0.00 57.16 58.13 2jpa n GLU 34 Cb 0.51 -1.69 -0.09 0.00 0.27 0.00 0.00 31.44 30.44 2jpa n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2jpa s LYS 35 N -2.46 0.70 0.93 5.31 2.36 -0.84 -5.12 119.74 120.63 2jpa s LYS 35 Ca -0.28 -1.41 -0.12 0.00 -2.55 0.00 0.00 55.97 51.60 2jpa s LYS 35 Cb 0.07 -1.10 0.15 0.00 -1.05 0.00 0.00 37.83 35.91 2jpa s LYS 35 CO 0.64 -1.27 1.10 -1.25 1.55 0.00 0.00 175.35 176.12 2jpa s PRO 36 N 0.86 0.96 1.03 4.03 0.04 -1.23 -4.83 135.00 135.86 2jpa s PRO 36 Ca 0.23 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 2jpa s PRO 36 Cb -0.12 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.83 2jpa s PRO 36 CO -0.06 -2.40 1.12 0.71 0.04 0.00 0.00 177.00 176.41 2jpa s TYR 37 N -3.00 1.79 0.08 0.56 1.51 0.66 -4.80 117.35 114.14 2jpa s TYR 37 Ca 0.64 0.79 0.04 0.00 -1.01 0.00 0.00 57.07 57.54 2jpa s TYR 37 Cb -0.18 -3.39 -0.03 0.00 -0.11 0.00 0.00 41.96 38.26 2jpa s TYR 37 CO 0.57 -3.02 -0.12 -1.14 -1.11 0.00 0.00 175.55 170.73 2jpa s GLN 38 N -5.19 0.78 0.11 -0.62 2.00 -1.26 -1.07 119.66 114.41 2jpa s GLN 38 Ca 0.67 -0.99 -0.36 0.00 -2.00 0.00 0.00 55.36 52.68 2jpa s GLN 38 Cb -0.15 -0.63 -0.16 0.00 0.80 0.00 0.00 33.01 32.87 2jpa s GLN 38 CO 0.56 0.12 1.44 0.00 -0.50 0.00 0.00 175.29 176.92 2jpa n ASP 40 N 2.94 0.00 0.23 0.00 8.00 -1.26 -2.93 116.55 123.52 2jpa n ASP 40 Ca 0.18 0.36 0.16 0.00 0.71 0.00 0.00 54.79 56.20 2jpa n ASP 40 Cb 0.23 -0.44 0.72 0.00 -0.02 0.00 0.00 41.12 41.61 2jpa n ASP 40 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2jpa h PHE 41 N 0.00 0.00 0.00 1.24 3.57 -1.92 -3.46 116.94 116.37 2jpa h PHE 41 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpa h PHE 41 Cb 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2jpa h PHE 41 CO 0.00 0.00 0.00 1.17 -2.23 0.00 0.00 178.31 177.25 2jpa n LYS 42 N -2.68 0.00 0.11 1.11 3.00 -1.15 -4.31 118.16 114.23 2jpa n LYS 42 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2jpa n LYS 42 Cb 0.19 -0.03 0.46 0.00 0.00 0.00 0.00 35.03 35.64 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jpa n ASP 43 N 1.67 0.62 -4.92 3.14 8.00 -1.26 -4.75 116.55 119.06 2jpa n ASP 43 Ca 0.00 0.62 -0.26 0.00 0.71 0.00 0.00 54.79 55.86 2jpa n ASP 43 Cb 0.00 -0.76 0.01 0.00 -0.02 0.00 0.00 41.12 40.34 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 -2.26 0.53 -3.61 0.00 4.07 -1.26 -4.79 120.64 113.31 2jpa n GLU 45 Ca 0.01 -1.87 -0.34 0.00 -0.06 0.00 0.00 57.16 54.90 2jpa n GLU 45 Cb 0.56 -0.81 -0.05 0.00 -0.06 0.00 0.00 31.44 31.08 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 -1.15 3.72 0.08 5.31 0.52 -1.26 -4.95 118.95 121.22 2jpa s ARG 46 Ca 0.19 0.11 0.09 0.00 -0.52 0.00 0.00 55.73 55.60 2jpa s ARG 46 Cb 0.19 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 2jpa s ARG 46 CO -0.03 0.55 -0.25 1.03 0.02 0.00 0.00 175.30 176.62 2jpa s ARG 47 N -2.02 1.49 -0.01 3.54 3.00 -1.26 -0.63 118.95 123.06 2jpa s ARG 47 Ca 0.34 -1.17 0.03 0.00 0.00 0.00 0.00 55.73 54.93 2jpa s ARG 47 Cb -0.13 -1.77 -0.01 0.00 0.00 0.00 0.00 34.95 33.04 2jpa s ARG 47 CO 0.19 0.44 -0.10 -0.06 0.00 0.00 0.00 175.30 175.77 2jpa s PHE 48 N -0.94 0.93 0.25 -0.53 0.08 -0.23 -4.95 117.98 112.59 2jpa s PHE 48 Ca 0.11 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.05 2jpa s PHE 48 Cb -0.10 -0.61 0.29 0.00 -0.57 0.00 0.00 43.02 42.04 2jpa s PHE 48 CO 0.04 -0.03 1.58 0.66 -0.10 0.00 0.00 175.22 177.37 2jpa h SER 49 N 5.97 0.14 -3.11 1.36 4.64 -1.86 0.19 113.55 120.87 2jpa h SER 49 Ca -0.32 -0.08 -0.58 0.00 -0.47 0.00 0.00 61.79 60.34 2jpa h SER 49 Cb 1.17 -0.04 -0.17 0.00 -0.31 0.00 0.00 62.40 63.05 2jpa h SER 49 CO 0.49 0.72 -0.79 -0.13 -0.87 0.00 0.00 176.83 176.26 2jpa s ARG 50 N -3.67 1.45 0.35 4.77 0.52 -1.26 -4.60 118.95 116.50 2jpa s ARG 50 Ca -0.03 -1.54 0.04 0.00 -0.52 0.00 0.00 55.73 53.68 2jpa s ARG 50 Cb 0.12 -1.58 0.65 0.00 0.52 0.00 0.00 34.95 34.66 2jpa s ARG 50 CO 0.78 0.32 1.95 0.77 0.02 0.00 0.00 175.30 179.14 2jpa h SER 51 N 2.96 0.59 0.05 0.23 0.02 -1.99 -1.71 113.55 113.69 2jpa h SER 51 Ca -0.43 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 2jpa h SER 51 Cb 1.22 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2jpa h SER 51 CO 0.53 0.52 -0.41 -2.24 -1.14 0.00 0.00 176.83 174.10 2jpa h ASP 52 N 0.65 0.49 -0.40 3.07 2.03 -1.97 0.30 116.42 120.59 2jpa h ASP 52 Ca 0.16 -0.21 -0.07 0.00 -0.73 0.00 0.00 57.03 56.18 2jpa h ASP 52 Cb 0.11 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.46 2jpa h ASP 52 CO -0.02 0.84 -0.01 1.56 -1.03 0.00 0.00 179.24 180.58 2jpa h GLN 53 N 0.38 0.72 -0.44 4.15 4.20 -1.81 0.23 115.11 122.54 2jpa h GLN 53 Ca 0.03 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2jpa h GLN 53 Cb 0.88 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2jpa h GLN 53 CO 0.07 0.81 0.17 1.25 -0.67 0.00 0.00 178.83 180.47 2jpa h LEU 54 N 0.54 0.61 -0.79 1.46 5.85 -1.13 0.75 115.31 122.60 2jpa h LEU 54 Ca 0.11 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2jpa h LEU 54 Cb 0.50 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2jpa h LEU 54 CO 0.02 0.62 0.41 0.50 -0.34 0.00 0.00 178.44 179.66 2jpa h LYS 55 N 0.57 1.11 -0.31 1.25 3.64 -0.23 0.12 116.57 122.72 2jpa h LYS 55 Ca 0.15 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jpa h LYS 55 Cb 0.20 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2jpa h LYS 55 CO -0.01 0.84 0.16 -0.09 -2.27 0.00 0.00 179.45 178.08 2jpa h ARG 56 N 1.10 0.33 -0.92 1.90 2.43 -0.35 -2.86 114.38 116.00 2jpa h ARG 56 Ca 0.27 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jpa h ARG 56 Cb 0.06 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2jpa h ARG 56 CO -0.04 0.22 0.56 1.25 -1.51 0.00 0.00 179.97 180.45 2jpa h HIS 57 N 0.34 1.21 -0.94 2.20 2.76 0.10 -0.90 115.15 119.92 2jpa h HIS 57 Ca 0.13 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.45 2jpa h HIS 57 Cb 0.03 -0.40 -0.08 0.00 1.55 0.00 0.00 27.41 28.51 2jpa h HIS 57 CO -0.09 0.80 0.60 1.96 -1.30 0.00 0.00 177.93 179.90 2jpa h GLN 58 N 1.27 0.72 -0.66 5.26 1.08 -0.57 0.13 115.11 122.34 2jpa h GLN 58 Ca 0.33 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.62 2jpa h GLN 58 Cb -0.06 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.16 2jpa h GLN 58 CO -0.06 0.48 0.45 0.00 -0.95 0.00 0.00 178.83 178.74 2jpa h ARG 59 N 0.74 0.34 -0.56 1.46 2.47 -1.02 0.17 114.38 117.98 2jpa h ARG 59 Ca 0.49 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.14 2jpa h ARG 59 Cb 0.75 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 2jpa h ARG 59 CO -0.25 0.23 0.17 -0.09 0.56 0.00 0.00 179.97 180.58 2jpa h ARG 60 N 0.35 0.84 0.09 0.04 2.43 -1.02 0.29 114.38 117.39 2jpa h ARG 60 Ca 0.32 -0.16 -0.31 0.00 -0.81 0.00 0.00 59.98 59.02 2jpa h ARG 60 Cb 0.76 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2jpa h ARG 60 CO -0.09 0.74 -1.66 0.45 -1.51 0.00 0.00 179.97 177.90 2jpa h HIS 61 N 0.82 0.33 0.00 2.20 3.86 -1.08 -3.35 115.15 117.93 2jpa h HIS 61 Ca 0.19 -0.24 -0.15 0.00 -1.16 0.00 0.00 60.37 59.01 2jpa h HIS 61 Cb 0.25 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2jpa h HIS 61 CO 0.02 1.37 -0.81 1.79 0.86 0.00 0.00 177.93 181.15 2jpa h THR 62 N 0.05 0.99 -0.01 2.45 1.35 -0.74 -3.48 112.91 113.52 2jpa h THR 62 Ca -0.29 -2.46 -0.00 0.00 -0.55 0.00 0.00 66.41 63.11 2jpa h THR 62 Cb 2.01 2.45 -0.00 0.00 -1.73 0.00 0.00 68.15 70.88 2jpa h THR 62 CO 0.12 0.56 -0.00 0.61 -0.25 0.00 0.00 175.52 176.56 2jpa n GLY 63 N 1.29 0.47 3.63 5.82 0.00 1.00 -5.00 105.19 112.40 2jpa n GLY 63 Ca -0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.97 4.15 -0.56 1.61 1.01 -1.16 -4.98 120.40 118.50 2jpa s VAL 64 Ca 0.00 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.31 2jpa s VAL 64 Cb 0.00 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.34 2jpa s VAL 64 CO 0.00 -0.51 0.34 -0.54 0.00 0.00 0.00 175.10 174.39 2jpa s LYS 65 N 4.19 2.00 0.35 2.72 1.02 -1.26 -4.54 119.74 124.22 2jpa s LYS 65 Ca 0.56 -2.76 0.23 0.00 0.02 0.00 0.00 55.97 54.02 2jpa s LYS 65 Cb -0.16 -3.15 0.36 0.00 -0.52 0.00 0.00 37.83 34.36 2jpa s LYS 65 CO 0.23 -1.18 1.54 -1.00 -0.92 0.00 0.00 175.35 174.02 2jpa h PRO 66 N 6.14 0.00 -5.45 -1.68 0.13 -1.88 -3.40 132.00 125.85 2jpa h PRO 66 Ca 0.01 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.50 2jpa h PRO 66 Cb 0.85 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.84 2jpa h PRO 66 CO 0.66 0.00 0.95 -0.06 -0.23 0.00 0.00 178.00 179.32 2jpa s PHE 67 N -3.21 2.83 -0.15 1.56 0.08 -0.55 -4.95 117.98 113.59 2jpa s PHE 67 Ca 0.06 -1.00 -0.07 0.00 0.12 0.00 0.00 56.93 56.04 2jpa s PHE 67 Cb 0.07 -4.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.07 2jpa s PHE 67 CO 0.68 -1.67 0.10 -1.14 -0.10 0.00 0.00 175.22 173.09 2jpa s GLN 68 N 3.71 3.71 0.21 0.44 0.74 -1.26 -0.26 119.66 126.94 2jpa s GLN 68 Ca 0.34 -0.24 -0.31 0.00 0.05 0.00 0.00 55.36 55.20 2jpa s GLN 68 Cb -0.06 -3.21 -0.10 0.00 1.10 0.00 0.00 33.01 30.74 2jpa s GLN 68 CO -0.04 0.52 1.51 0.00 -0.55 0.00 0.00 175.29 176.73 2jpa h LYS 70 N 5.93 0.00 0.00 0.00 5.09 -1.96 -2.45 116.57 123.17 2jpa h LYS 70 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.30 2jpa h LYS 70 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 2jpa h LYS 70 CO 0.85 0.08 0.00 2.41 -2.09 0.00 0.00 179.45 180.69 2jpa n THR 71 N -3.56 0.00 1.27 0.07 -1.04 -1.26 -4.67 114.28 105.10 2jpa n THR 71 Ca -0.02 0.27 0.13 0.00 -2.04 0.00 0.00 64.05 62.39 2jpa n THR 71 Cb 0.20 -1.10 0.43 0.00 -1.82 0.00 0.00 70.33 68.04 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 -0.74 -1.12 -2.05 0.00 1.13 -0.92 -4.98 117.38 108.71 2jpa n GLN 73 Ca 0.13 1.04 -0.41 0.00 -1.94 0.00 0.00 57.00 55.82 2jpa n GLN 73 Cb 0.33 -5.23 -0.02 0.00 0.11 0.00 0.00 30.24 25.43 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 -3.43 4.30 -0.10 -1.09 6.06 -1.26 -4.58 118.95 118.85 2jpa s ARG 74 Ca 0.00 2.29 0.01 0.00 -2.50 0.00 0.00 55.73 55.52 2jpa s ARG 74 Cb 0.00 -3.06 -0.02 0.00 0.06 0.00 0.00 34.95 31.92 2jpa s ARG 74 CO 0.00 -0.28 -0.10 0.15 -2.50 0.00 0.00 175.30 172.56 2jpa s LYS 75 N -1.59 3.02 0.14 5.12 1.02 -1.26 -0.16 119.74 126.04 2jpa s LYS 75 Ca 0.51 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.92 2jpa s LYS 75 Cb -0.41 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2jpa s LYS 75 CO 0.53 0.45 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.24 2jpa s PHE 76 N -0.24 1.26 -1.38 3.18 0.08 0.64 -4.99 117.98 116.53 2jpa s PHE 76 Ca 0.02 -0.75 0.15 0.00 0.12 0.00 0.00 56.93 56.48 2jpa s PHE 76 Cb -0.13 -0.64 0.41 0.00 -0.57 0.00 0.00 43.02 42.09 2jpa s PHE 76 CO 0.03 0.08 1.34 0.43 -0.10 0.00 0.00 175.22 177.00 2jpa n SER 77 N -0.15 3.25 -3.73 1.36 7.64 -1.26 -1.48 113.62 119.24 2jpa n SER 77 Ca -0.11 -1.97 -0.16 0.00 1.01 0.00 0.00 58.87 57.64 2jpa n SER 77 Cb 0.60 -0.31 -0.16 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.02 -0.04 0.31 1.43 0.52 -1.26 -4.94 118.95 113.95 2jpa s ARG 78 Ca 0.32 0.27 0.05 0.00 -0.52 0.00 0.00 55.73 55.85 2jpa s ARG 78 Cb 0.17 -0.32 0.53 0.00 0.52 0.00 0.00 34.95 35.84 2jpa s ARG 78 CO 0.22 -0.22 1.78 0.66 0.02 0.00 0.00 175.30 177.76 2jpa h SER 79 N 7.68 0.38 -0.68 0.23 4.64 -1.97 -1.48 113.55 122.34 2jpa h SER 79 Ca -0.34 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2jpa h SER 79 Cb 1.12 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2jpa h SER 79 CO 0.37 0.61 0.30 -2.24 -0.87 0.00 0.00 176.83 175.00 2jpa h ASP 80 N 0.35 0.94 -0.24 4.97 2.03 -1.98 0.14 116.42 122.62 2jpa h ASP 80 Ca 0.06 -0.12 -0.07 0.00 -0.73 0.00 0.00 57.03 56.16 2jpa h ASP 80 Cb 0.59 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.84 2jpa h ASP 80 CO 0.04 0.82 -0.12 0.45 -1.03 0.00 0.00 179.24 179.40 2jpa h HIS 81 N 1.01 0.58 -0.19 4.15 3.86 -1.89 -1.46 115.15 121.21 2jpa h HIS 81 Ca 0.24 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2jpa h HIS 81 Cb 0.16 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2jpa h HIS 81 CO 0.01 0.78 0.03 1.25 0.86 0.00 0.00 177.93 180.86 2jpa h LEU 82 N 0.23 0.30 -1.24 2.43 6.46 -0.92 0.39 115.31 122.95 2jpa h LEU 82 Ca 0.05 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 2jpa h LEU 82 Cb 0.62 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 2jpa h LEU 82 CO 0.04 0.47 0.13 0.50 -0.62 0.00 0.00 178.44 178.96 2jpa h LYS 83 N 0.11 0.65 -0.02 1.25 3.64 -0.80 0.36 116.57 121.75 2jpa h LYS 83 Ca 0.06 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jpa h LYS 83 Cb 0.30 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jpa h LYS 83 CO 0.00 0.58 -0.00 1.15 -2.27 0.00 0.00 179.45 178.91 2jpa h THR 84 N 0.64 1.27 -0.25 1.00 2.02 -1.01 -3.13 112.91 113.45 2jpa h THR 84 Ca 0.15 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 2jpa h THR 84 Cb 0.21 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2jpa h THR 84 CO -0.01 0.22 0.03 -0.74 0.37 0.00 0.00 175.52 175.39 2jpa h HIS 85 N -0.29 0.36 -0.94 3.16 -0.00 0.14 -1.61 115.15 115.97 2jpa h HIS 85 Ca 0.01 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.48 2jpa h HIS 85 Cb 0.35 -0.11 -0.08 0.00 -0.00 0.00 0.00 27.41 27.57 2jpa h HIS 85 CO 0.04 0.35 0.57 1.15 -0.00 0.00 0.00 177.93 180.04 2jpa h THR 86 N 0.35 0.88 0.00 6.26 2.02 -0.24 -0.58 112.91 121.60 2jpa h THR 86 Ca 0.08 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2jpa h THR 86 Cb 0.19 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2jpa h THR 86 CO 0.00 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.05 2jpa h ARG 87 N 0.89 0.00 0.00 6.66 3.08 -1.29 0.01 114.38 123.73 2jpa h ARG 87 Ca 0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 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 0.03 -0.08 1.79 -1.07 0.00 0.00 179.97 180.36 2jpa h THR 88 N 0.00 0.71 0.00 2.04 1.35 -1.20 0.14 112.91 115.95 2jpa h THR 88 Ca -0.00 -0.33 -0.29 0.00 -0.55 0.00 0.00 66.41 65.24 2jpa h THR 88 Cb 0.14 1.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 2jpa h THR 88 CO 0.00 0.08 -1.86 1.41 -0.25 0.00 0.00 175.52 174.90 2jpa n HIS 89 N -3.93 0.71 1.15 4.73 8.25 -0.05 -4.31 115.22 121.76 2jpa n HIS 89 Ca -0.02 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 57.81 2jpa n HIS 89 Cb 0.17 -1.11 0.28 0.00 1.12 0.00 0.00 29.99 30.45 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 -2.93 0.00 -1.19 1.59 -2.24 -0.88 -4.94 114.28 103.69 2jpa n THR 90 Ca -0.20 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 2jpa n THR 90 Cb 1.05 0.49 -0.03 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 0.75 3.55 3.38 0.00 0.44 -4.93 105.19 109.77 2jpa n GLY 91 Ca 0.10 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.21 2.85 -0.77 1.61 2.02 -1.16 -4.92 118.70 116.12 2jpa s GLU 92 Ca 0.00 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.40 2jpa s GLU 92 Cb 0.00 -4.30 0.19 0.00 0.10 0.00 0.00 34.13 30.11 2jpa s GLU 92 CO 0.00 -2.49 0.60 0.15 0.02 0.00 0.00 175.26 173.54 2jpa s LYS 93 N 6.52 2.76 0.19 1.61 3.01 -1.26 -4.40 119.74 128.18 2jpa s LYS 93 Ca 0.57 -3.31 0.25 0.00 -1.01 0.00 0.00 55.97 52.48 2jpa s LYS 93 Cb -0.11 -3.62 0.66 0.00 -1.01 0.00 0.00 37.83 33.74 2jpa s LYS 93 CO 0.20 -1.27 1.64 -1.00 0.51 0.00 0.00 175.35 175.43 2jpa h PRO 94 N 5.66 0.00 -4.66 -1.68 0.13 -1.81 -3.39 132.00 126.25 2jpa h PRO 94 Ca 0.14 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.55 2jpa h PRO 94 Cb 0.78 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.79 2jpa h PRO 94 CO 0.77 0.00 2.04 1.19 -0.23 0.00 0.00 178.00 181.77 2jpa n PHE 95 N -2.26 4.20 -2.98 1.56 3.72 -0.33 -4.92 117.46 116.46 2jpa n PHE 95 Ca 0.05 -3.03 -0.38 0.00 -0.05 0.00 0.00 57.45 54.04 2jpa n PHE 95 Cb 0.44 -2.32 -0.06 0.00 -0.94 0.00 0.00 39.48 36.59 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 7.25 0.49 4.37 1.04 -1.26 -0.98 113.70 127.45 2jpa s SER 96 Ca 0.46 1.60 -0.21 0.00 0.48 0.00 0.00 55.95 58.28 2jpa s SER 96 Cb 0.05 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 2jpa s SER 96 CO 0.01 0.08 1.14 0.00 0.98 0.00 0.00 173.24 175.45 2jpa n ARG 98 N -0.81 1.52 -1.92 0.00 5.12 -1.26 -3.92 116.66 115.38 2jpa n ARG 98 Ca 0.09 -0.95 -0.36 0.00 -1.93 0.00 0.00 57.85 54.70 2jpa n ARG 98 Cb 0.49 -1.36 0.04 0.00 -1.16 0.00 0.00 32.46 30.48 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2jpa s TRP 99 N -2.09 2.28 -0.96 -1.55 0.52 -1.26 -4.87 118.94 111.01 2jpa s TRP 99 Ca 0.16 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.78 2jpa s TRP 99 Cb 0.15 -3.57 0.00 0.00 -1.15 0.00 0.00 33.47 28.90 2jpa s TRP 99 CO 0.45 -2.48 0.41 -0.35 0.02 0.00 0.00 176.95 175.01 2jpa n PRO 100 N -1.65 0.79 -2.68 4.98 -0.04 -1.26 -3.70 135.00 131.44 2jpa n PRO 100 Ca 0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2jpa n PRO 100 Cb 0.49 -1.38 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 2jpa n PRO 100 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jpa n SER 101 N 0.12 -1.57 0.00 3.54 3.41 -1.26 -5.08 113.62 112.78 2jpa n SER 101 Ca 0.00 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2jpa n SER 101 Cb 0.21 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jpa n GLN 103 N -0.68 -1.55 -1.98 0.00 3.00 -1.25 -4.98 117.38 109.94 2jpa n GLN 103 Ca 0.00 1.11 -0.38 0.00 -0.01 0.00 0.00 57.00 57.72 2jpa n GLN 103 Cb 0.00 -5.63 0.02 0.00 0.00 0.00 0.00 30.24 24.63 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 -4.41 3.40 -0.08 -1.09 3.01 -1.26 -4.35 119.74 114.94 2jpa s LYS 104 Ca 0.00 2.05 0.04 0.00 -1.01 0.00 0.00 55.97 57.05 2jpa s LYS 104 Cb 0.00 -2.32 -0.00 0.00 -1.01 0.00 0.00 37.83 34.50 2jpa s LYS 104 CO 0.00 -0.93 -0.23 0.15 0.51 0.00 0.00 175.35 174.86 2jpa s LYS 105 N -2.82 2.74 0.33 1.68 1.02 -1.26 -0.18 119.74 121.25 2jpa s LYS 105 Ca 0.68 -0.82 0.10 0.00 0.02 0.00 0.00 55.97 55.95 2jpa s LYS 105 Cb -0.36 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.75 2jpa s LYS 105 CO 0.42 0.21 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.89 2jpa s PHE 106 N 0.25 2.36 -2.30 3.18 0.08 -0.16 -4.92 117.98 116.47 2jpa s PHE 106 Ca -0.14 -0.48 0.22 0.00 0.12 0.00 0.00 56.93 56.65 2jpa s PHE 106 Cb -0.17 -1.30 0.06 0.00 -0.57 0.00 0.00 43.02 41.04 2jpa s PHE 106 CO 0.07 0.60 1.12 0.00 -0.10 0.00 0.00 175.22 176.91 2jpa n ALA 107 N -0.75 3.15 -2.78 5.36 0.00 -1.26 -1.19 120.51 123.04 2jpa n ALA 107 Ca -0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 2jpa n ALA 107 Cb 0.63 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.25 0.59 0.11 0.00 0.52 -1.26 -4.85 118.95 111.81 2jpa s ARG 108 Ca 0.21 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.62 2jpa s ARG 108 Cb 0.18 -0.48 -0.08 0.00 0.52 0.00 0.00 34.95 35.09 2jpa s ARG 108 CO 0.46 0.11 1.72 0.66 0.02 0.00 0.00 175.30 178.27 2jpa h SER 109 N 5.05 -0.14 -0.24 0.23 4.64 -1.97 -1.93 113.55 119.20 2jpa h SER 109 Ca -0.34 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2jpa h SER 109 Cb 1.19 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2jpa h SER 109 CO 0.44 -0.06 0.09 -2.24 -0.87 0.00 0.00 176.83 174.19 2jpa h ASP 110 N -0.03 0.40 -0.65 4.97 3.04 -1.97 0.29 116.42 122.47 2jpa h ASP 110 Ca 0.05 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2jpa h ASP 110 Cb 0.11 -0.10 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2jpa h ASP 110 CO -0.11 0.40 0.40 -0.33 -2.04 0.00 0.00 179.24 177.57 2jpa h GLU 111 N 0.44 0.87 -0.49 4.15 5.08 -1.84 0.23 114.58 123.03 2jpa h GLU 111 Ca 0.11 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2jpa h GLU 111 Cb 0.15 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2jpa h GLU 111 CO -0.01 0.61 -0.16 1.25 -1.00 0.00 0.00 179.01 179.70 2jpa h LEU 112 N 0.88 0.98 -0.77 1.33 5.85 -0.54 -0.94 115.31 122.09 2jpa h LEU 112 Ca 0.23 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2jpa h LEU 112 Cb -0.05 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2jpa h LEU 112 CO -0.05 1.13 0.42 -0.37 -0.34 0.00 0.00 178.44 179.24 2jpa h VAL 113 N 0.82 1.23 -0.21 1.05 -1.51 0.12 0.15 116.25 117.89 2jpa h VAL 113 Ca 0.12 -0.58 -0.03 0.00 -1.23 0.00 0.00 66.70 64.98 2jpa h VAL 113 Cb 0.73 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2jpa h VAL 113 CO 0.06 0.26 0.00 -0.09 -1.23 0.00 0.00 177.57 176.57 2jpa h ARG 114 N 1.07 0.37 -0.56 5.19 2.43 -0.54 -2.82 114.38 119.52 2jpa h ARG 114 Ca 0.27 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 2jpa h ARG 114 Cb 0.03 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2jpa h ARG 114 CO -0.04 0.56 0.22 1.25 -1.51 0.00 0.00 179.97 180.45 2jpa h HIS 115 N 0.13 0.40 -0.55 2.20 2.76 -0.67 0.38 115.15 119.80 2jpa h HIS 115 Ca 0.06 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 2jpa h HIS 115 Cb 0.39 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 2jpa h HIS 115 CO 0.03 0.13 0.37 0.45 -1.30 0.00 0.00 177.93 177.61 2jpa h HIS 116 N 0.42 0.43 0.00 5.26 3.86 -0.67 0.62 115.15 125.07 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 0.29 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2jpa h HIS 116 CO -0.15 0.22 0.00 -0.97 0.86 0.00 0.00 177.93 177.89 2jpa h ASN 117 N 0.42 0.00 1.77 2.45 -0.00 -0.66 -1.08 115.58 118.49 2jpa h ASN 117 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 2jpa h ASN 117 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.74 2jpa h ASN 117 CO -0.07 0.00 0.00 0.24 -0.00 0.00 0.00 177.43 177.60 2jpa h MET 118 N 0.00 0.00 -0.01 6.67 2.86 -0.71 -3.52 114.93 120.22 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 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2jpa h MET 118 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69