#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 0.64 0.00 0.00 3.41 -1.26 -2.69 113.62 113.72 2jpa n SER 2 Ca 0.00 0.69 -0.14 0.00 -0.26 0.00 0.00 58.87 59.16 2jpa n SER 2 Cb 0.00 -0.81 -0.14 0.00 -0.26 0.00 0.00 64.21 63.00 2jpa n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jpa h GLU 3 N 0.00 0.13 -2.03 4.33 3.07 -2.08 -3.49 114.58 114.50 2jpa h GLU 3 Ca 0.00 -0.21 0.08 0.00 -0.50 0.00 0.00 59.36 58.73 2jpa h GLU 3 Cb 0.28 0.08 -0.18 0.00 -0.84 0.00 0.00 28.75 28.09 2jpa h GLU 3 CO 0.00 0.84 0.48 -1.59 -1.40 0.00 0.00 179.01 177.34 2jpa s LYS 4 N -2.59 0.77 0.69 2.33 -2.85 -1.09 -5.17 119.74 111.83 2jpa s LYS 4 Ca -0.11 -0.11 -0.16 0.00 -1.00 0.00 0.00 55.97 54.60 2jpa s LYS 4 Cb 0.07 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2jpa s LYS 4 CO 0.81 -0.30 1.19 -0.98 0.10 0.00 0.00 175.35 176.17 2jpa s ARG 5 N -2.29 2.43 1.02 1.78 1.70 -1.26 -0.62 118.95 121.72 2jpa s ARG 5 Ca 0.01 1.70 -0.17 0.00 -0.47 0.00 0.00 55.73 56.80 2jpa s ARG 5 Cb -0.01 -1.88 0.22 0.00 -0.57 0.00 0.00 34.95 32.71 2jpa s ARG 5 CO -0.04 -1.59 1.24 -1.25 -1.08 0.00 0.00 175.30 172.58 2jpa s PRO 6 N -3.84 0.18 0.22 3.89 0.04 -1.26 -4.71 135.00 129.53 2jpa s PRO 6 Ca 0.73 -0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.58 2jpa s PRO 6 Cb -0.28 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2jpa s PRO 6 CO 0.42 -2.75 -0.04 -0.06 0.04 0.00 0.00 177.00 174.61 2jpa s PHE 7 N -3.57 1.57 0.08 0.56 0.40 -0.21 -4.99 117.98 111.82 2jpa s PHE 7 Ca 0.72 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2jpa s PHE 7 Cb -0.07 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 2jpa s PHE 7 CO 0.54 0.05 -0.06 0.00 0.70 0.00 0.00 175.22 176.45 2jpa s MET 8 N -3.81 0.76 0.43 0.44 0.23 -1.26 -0.21 119.30 115.87 2jpa s MET 8 Ca 0.26 -1.24 -0.23 0.00 -1.03 0.00 0.00 55.69 53.45 2jpa s MET 8 Cb 0.04 -0.15 -0.08 0.00 -1.53 0.00 0.00 34.83 33.11 2jpa s MET 8 CO 0.07 -0.02 1.10 0.00 -2.03 0.00 0.00 175.02 174.14 2jpa n ALA 10 N -0.26 3.63 -2.50 0.00 0.00 -1.26 -3.98 120.51 116.14 2jpa n ALA 10 Ca 0.06 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2jpa n ALA 10 Cb 0.49 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.51 0.00 5.04 -1.26 -4.94 117.35 115.98 2jpa s TYR 11 Ca 0.16 1.18 -0.27 0.00 -2.44 0.00 0.00 57.07 55.70 2jpa s TYR 11 Cb 0.18 -3.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 2jpa s TYR 11 CO 0.65 -1.28 2.04 -1.25 -1.34 0.00 0.00 175.55 174.37 2jpa s PRO 12 N 3.16 2.59 0.00 4.97 0.04 -1.26 -1.86 135.00 142.64 2jpa s PRO 12 Ca 0.52 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2jpa s PRO 12 Cb -0.20 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2jpa s PRO 12 CO 0.14 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.84 2jpa n GLY 13 N 5.76 2.74 0.00 0.56 0.00 -1.26 -4.99 105.19 107.99 2jpa n GLY 13 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.25 -3.40 -4.88 0.00 5.03 -1.10 -4.95 115.26 104.71 2jpa n ASN 15 Ca 0.00 0.05 -0.30 0.00 0.87 0.00 0.00 54.58 55.20 2jpa n ASN 15 Cb 0.00 -2.88 0.07 0.00 -1.02 0.00 0.00 39.78 35.94 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2jpa s LYS 16 N -5.34 2.39 0.25 3.52 1.02 -1.26 -4.39 119.74 115.93 2jpa s LYS 16 Ca 0.13 0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.50 2jpa s LYS 16 Cb -0.07 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2jpa s LYS 16 CO 0.16 -1.34 0.39 -0.98 -0.92 0.00 0.00 175.35 172.66 2jpa s ARG 17 N -5.42 3.45 0.22 1.68 1.70 -1.26 -0.03 118.95 119.30 2jpa s ARG 17 Ca 0.60 -0.65 -0.05 0.00 -0.47 0.00 0.00 55.73 55.16 2jpa s ARG 17 Cb -0.11 -2.85 -0.03 0.00 -0.57 0.00 0.00 34.95 31.39 2jpa s ARG 17 CO 0.51 0.38 0.27 0.71 -1.08 0.00 0.00 175.30 176.09 2jpa s TYR 18 N -2.03 0.86 0.00 5.89 2.02 0.70 -4.92 117.35 119.87 2jpa s TYR 18 Ca 0.35 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 2jpa s TYR 18 Cb -0.09 -0.26 0.00 0.00 -0.40 0.00 0.00 41.96 41.21 2jpa s TYR 18 CO 0.30 -0.79 0.00 0.34 -1.57 0.00 0.00 175.55 173.83 2jpa n PHE 19 N -0.32 0.00 -2.97 2.71 7.35 -1.26 -1.04 117.46 121.92 2jpa n PHE 19 Ca 0.01 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.29 2jpa n PHE 19 Cb 0.64 0.01 -0.05 0.00 0.35 0.00 0.00 39.48 40.43 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 -1.99 4.20 0.26 -4.13 -0.14 -1.26 -4.70 119.74 111.97 2jpa s LYS 20 Ca 0.00 0.82 -0.03 0.00 -1.36 0.00 0.00 55.97 55.40 2jpa s LYS 20 Cb 0.00 -3.62 0.53 0.00 -1.68 0.00 0.00 37.83 33.06 2jpa s LYS 20 CO 0.00 -0.41 1.67 1.37 -0.76 0.00 0.00 175.35 177.23 2jpa h LEU 21 N 8.77 -0.00 -0.19 3.17 -0.00 -1.95 0.60 115.31 125.71 2jpa h LEU 21 Ca -0.27 0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 57.73 2jpa h LEU 21 Cb 1.12 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.99 2jpa h LEU 21 CO 0.83 -0.07 -0.08 0.77 -0.00 0.00 0.00 178.44 179.88 2jpa h SER 22 N 0.25 0.40 0.31 0.17 4.64 -1.98 0.16 113.55 117.51 2jpa h SER 22 Ca 0.46 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 2jpa h SER 22 Cb 0.82 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2jpa h SER 22 CO -0.56 0.72 -0.32 1.12 -0.87 0.00 0.00 176.83 176.92 2jpa h HIS 23 N 0.09 0.02 -0.14 4.77 2.07 -1.75 0.23 115.15 120.43 2jpa h HIS 23 Ca 0.04 -0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.34 2jpa h HIS 23 Cb 0.56 -0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.54 2jpa h HIS 23 CO 0.06 0.33 -0.77 1.25 -3.07 0.00 0.00 177.93 175.74 2jpa h LEU 24 N 0.02 0.87 -1.15 6.12 7.12 -0.86 -1.23 115.31 126.19 2jpa h LEU 24 Ca -0.00 -0.57 0.05 0.00 0.13 0.00 0.00 57.88 57.48 2jpa h LEU 24 Cb 0.57 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.39 2jpa h LEU 24 CO 0.04 1.36 0.58 -0.61 -0.13 0.00 0.00 178.44 179.69 2jpa h GLN 25 N 0.50 1.04 -0.17 1.25 -0.00 0.43 0.25 115.11 118.41 2jpa h GLN 25 Ca -0.05 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 2jpa h GLN 25 Cb 1.39 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 28.63 2jpa h GLN 25 CO 0.16 0.69 -0.07 1.98 0.00 0.00 0.00 178.83 181.58 2jpa h MET 26 N 1.07 0.35 -0.97 1.69 4.05 -0.54 -2.98 114.93 117.61 2jpa h MET 26 Ca 0.36 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.69 2jpa h MET 26 Cb 0.09 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 2jpa h MET 26 CO -0.12 0.64 0.63 1.25 0.23 0.00 0.00 176.91 179.55 2jpa h HIS 27 N 0.04 1.16 -0.53 1.39 -0.00 -0.55 -1.04 115.15 115.62 2jpa h HIS 27 Ca 0.04 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2jpa h HIS 27 Cb 0.53 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 2jpa h HIS 27 CO 0.06 0.64 0.35 0.77 -0.00 0.00 0.00 177.93 179.75 2jpa h SER 28 N 1.17 0.55 -0.92 3.26 0.02 -0.45 -1.16 113.55 116.02 2jpa h SER 28 Ca 0.40 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.44 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 -0.14 0.39 0.59 -0.09 -1.14 0.00 0.00 176.83 176.44 2jpa h ARG 29 N 0.65 0.88 -0.82 3.45 2.43 -1.03 0.92 114.38 120.86 2jpa h ARG 29 Ca 0.21 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 2jpa h ARG 29 Cb 0.03 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 2jpa h ARG 29 CO -0.05 0.58 0.49 -0.22 -1.51 0.00 0.00 179.97 179.26 2jpa h LYS 30 N 0.91 0.84 0.00 0.20 1.63 -1.27 -2.22 116.57 116.66 2jpa h LYS 30 Ca 0.43 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.15 2jpa h LYS 30 Cb 0.43 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2jpa h LYS 30 CO -0.19 0.56 -0.38 0.45 -3.45 0.00 0.00 179.45 176.44 2jpa h HIS 31 N 0.87 0.00 0.00 1.91 3.86 -1.01 -3.21 115.15 117.58 2jpa h HIS 31 Ca 0.37 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 2jpa h HIS 31 Cb 0.23 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2jpa h HIS 31 CO -0.05 0.15 -0.05 0.00 0.86 0.00 0.00 177.93 178.84 2jpa h THR 32 N 0.00 0.44 -0.55 2.45 1.03 -0.28 0.20 112.91 116.20 2jpa h THR 32 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 2jpa h THR 32 Cb 1.12 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2jpa h THR 32 CO 0.02 0.05 0.00 0.61 -0.01 0.00 0.00 175.52 176.19 2jpa n GLY 33 N -0.97 1.75 0.00 2.99 0.00 -1.20 -4.05 105.19 103.72 2jpa n GLY 33 Ca -0.02 -0.62 0.00 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 1.07 0.61 -2.32 1.61 1.02 0.65 -4.58 120.64 118.70 2jpa n GLU 34 Ca 0.19 -0.78 -0.43 0.00 -0.02 0.00 0.00 57.16 56.12 2jpa n GLU 34 Cb 0.53 -0.89 -0.02 0.00 -0.02 0.00 0.00 31.44 31.04 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 -0.35 3.91 -0.42 3.49 2.36 -0.41 -4.94 119.74 123.38 2jpa s LYS 35 Ca 0.00 1.43 -0.28 0.00 -2.55 0.00 0.00 55.97 54.56 2jpa s LYS 35 Cb 0.00 -3.92 -0.00 0.00 -1.05 0.00 0.00 37.83 32.86 2jpa s LYS 35 CO 0.00 -1.13 1.60 -1.25 1.55 0.00 0.00 175.35 176.12 2jpa s PRO 36 N 4.26 3.35 0.26 4.03 0.04 -1.26 -3.46 135.00 142.22 2jpa s PRO 36 Ca 0.61 1.02 0.09 0.00 0.04 0.00 0.00 61.00 62.75 2jpa s PRO 36 Cb -0.20 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 2jpa s PRO 36 CO 0.24 -1.85 0.07 0.71 0.04 0.00 0.00 177.00 176.22 2jpa s TYR 37 N 6.44 2.85 0.03 0.56 2.02 0.09 -4.97 117.35 124.36 2jpa s TYR 37 Ca 0.68 -0.18 0.04 0.00 -0.37 0.00 0.00 57.07 57.23 2jpa s TYR 37 Cb -0.16 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 2jpa s TYR 37 CO 0.31 0.58 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.62 2jpa s GLN 38 N -3.74 0.75 0.20 -0.62 2.00 -1.26 -0.67 119.66 116.32 2jpa s GLN 38 Ca 0.32 -0.64 -0.33 0.00 -2.00 0.00 0.00 55.36 52.72 2jpa s GLN 38 Cb -0.07 -0.70 -0.14 0.00 0.80 0.00 0.00 33.01 32.90 2jpa s GLN 38 CO 0.22 0.17 1.50 0.00 -0.50 0.00 0.00 175.29 176.68 2jpa n ASP 40 N 2.82 0.13 -4.66 0.00 2.03 -1.26 -4.78 116.55 110.83 2jpa n ASP 40 Ca 0.14 -0.62 -0.42 0.00 0.52 0.00 0.00 54.79 54.41 2jpa n ASP 40 Cb 0.30 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 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 -2.29 2.15 -1.42 -0.67 5.36 -1.26 -4.87 117.98 114.97 2jpa s PHE 41 Ca 0.37 0.36 0.08 0.00 -0.96 0.00 0.00 56.93 56.78 2jpa s PHE 41 Cb 0.21 -3.84 0.38 0.00 -0.34 0.00 0.00 43.02 39.43 2jpa s PHE 41 CO 0.42 -3.41 1.11 1.63 -1.46 0.00 0.00 175.22 173.51 2jpa n LYS 42 N 7.05 0.10 -0.00 10.12 4.76 -1.26 -1.35 118.16 137.58 2jpa n LYS 42 Ca 0.17 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2jpa n LYS 42 Cb 0.43 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jpa n ASP 43 N -1.29 1.90 -5.01 4.39 8.00 -1.26 -5.05 116.55 118.22 2jpa n ASP 43 Ca 0.04 -1.96 -0.17 0.00 0.71 0.00 0.00 54.79 53.40 2jpa n ASP 43 Cb 0.06 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.90 0.70 -4.40 0.00 0.28 -1.26 -4.97 120.64 109.09 2jpa n GLU 45 Ca 0.09 -1.79 -0.33 0.00 -0.16 0.00 0.00 57.16 54.97 2jpa n GLU 45 Cb 0.59 -0.05 -0.10 0.00 1.43 0.00 0.00 31.44 33.31 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jpa s ARG 46 N -0.72 2.76 0.09 3.44 0.52 -1.26 -5.02 118.95 118.76 2jpa s ARG 46 Ca 0.16 -0.59 0.09 0.00 -0.52 0.00 0.00 55.73 54.87 2jpa s ARG 46 Cb 0.27 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 2jpa s ARG 46 CO -0.08 0.64 -0.25 1.03 0.02 0.00 0.00 175.30 176.66 2jpa s ARG 47 N -1.27 1.42 0.27 3.54 0.52 -1.26 -1.02 118.95 121.15 2jpa s ARG 47 Ca 0.17 -1.20 0.06 0.00 -0.52 0.00 0.00 55.73 54.24 2jpa s ARG 47 Cb -0.11 -1.74 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 2jpa s ARG 47 CO 0.07 0.42 -0.06 -0.06 0.02 0.00 0.00 175.30 175.69 2jpa s PHE 48 N -0.99 1.90 -1.90 -0.53 0.08 0.15 -4.97 117.98 111.72 2jpa s PHE 48 Ca 0.11 -0.71 0.16 0.00 0.12 0.00 0.00 56.93 56.61 2jpa s PHE 48 Cb -0.10 -1.08 0.20 0.00 -0.57 0.00 0.00 43.02 41.47 2jpa s PHE 48 CO 0.04 0.25 1.09 -1.13 -0.10 0.00 0.00 175.22 175.38 2jpa n SER 49 N -0.56 2.57 -3.66 1.36 3.41 -1.26 -0.73 113.62 114.76 2jpa n SER 49 Ca -0.05 -1.75 -0.14 0.00 -0.26 0.00 0.00 58.87 56.67 2jpa n SER 49 Cb 0.63 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 2jpa n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jpa s ARG 50 N -1.29 0.89 0.23 4.33 3.52 -1.22 -1.29 118.95 124.12 2jpa s ARG 50 Ca 0.22 -0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.54 2jpa s ARG 50 Cb 0.14 0.40 0.27 0.00 -1.56 0.00 0.00 34.95 34.20 2jpa s ARG 50 CO 0.21 -0.29 1.86 0.77 -0.81 0.00 0.00 175.30 177.04 2jpa h SER 51 N 3.21 0.83 0.10 -2.12 0.02 -1.87 -1.90 113.55 111.83 2jpa h SER 51 Ca -0.30 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.53 2jpa h SER 51 Cb 1.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2jpa h SER 51 CO 0.42 0.56 -0.42 -2.24 -1.14 0.00 0.00 176.83 174.01 2jpa h ASP 52 N 0.98 0.42 -0.13 3.07 2.03 -1.97 0.14 116.42 120.96 2jpa h ASP 52 Ca 0.34 -0.19 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 2jpa h ASP 52 Cb 0.07 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2jpa h ASP 52 CO -0.14 0.80 0.06 1.56 -1.03 0.00 0.00 179.24 180.49 2jpa h GLN 53 N 0.33 0.20 -0.01 4.15 4.20 -1.84 0.17 115.11 122.30 2jpa h GLN 53 Ca 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2jpa h GLN 53 Cb 0.88 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 2jpa h GLN 53 CO 0.07 0.27 0.01 1.25 -0.67 0.00 0.00 178.83 179.76 2jpa h LEU 54 N 0.07 0.02 -0.65 1.46 5.85 -1.17 0.39 115.31 121.28 2jpa h LEU 54 Ca 0.04 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2jpa h LEU 54 Cb 0.15 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2jpa h LEU 54 CO -0.00 0.13 0.37 0.11 -0.34 0.00 0.00 178.44 178.70 2jpa h LYS 55 N -0.09 0.66 -0.47 1.25 1.57 -0.65 0.33 116.57 119.17 2jpa h LYS 55 Ca 0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jpa h LYS 55 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2jpa h LYS 55 CO -0.00 0.44 0.27 -0.09 -0.57 0.00 0.00 179.45 179.50 2jpa h ARG 56 N 0.68 0.53 -0.67 3.15 2.43 -0.53 -2.68 114.38 117.30 2jpa h ARG 56 Ca 0.29 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jpa h ARG 56 Cb 0.16 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2jpa h ARG 56 CO -0.17 0.35 0.40 1.25 -1.51 0.00 0.00 179.97 180.30 2jpa h HIS 57 N 0.55 0.86 -0.95 2.20 2.76 0.45 -1.39 115.15 119.64 2jpa h HIS 57 Ca 0.19 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.52 2jpa h HIS 57 Cb 0.03 -0.29 -0.08 0.00 1.55 0.00 0.00 27.41 28.62 2jpa h HIS 57 CO -0.07 0.57 0.60 1.96 -1.30 0.00 0.00 177.93 179.69 2jpa h GLN 58 N 0.91 0.73 -0.63 5.26 1.08 -0.64 -0.22 115.11 121.60 2jpa h GLN 58 Ca 0.24 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.52 2jpa h GLN 58 Cb -0.04 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 2jpa h GLN 58 CO -0.05 0.48 0.43 0.00 -0.95 0.00 0.00 178.83 178.75 2jpa h ARG 59 N 0.75 0.32 -0.72 1.46 -0.00 -1.25 0.63 114.38 115.57 2jpa h ARG 59 Ca 0.49 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.95 2jpa h ARG 59 Cb 0.75 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.61 2jpa h ARG 59 CO -0.25 0.21 0.43 -0.09 0.00 0.00 0.00 179.97 180.27 2jpa h ARG 60 N 0.33 0.97 0.14 0.04 2.43 -1.14 0.25 114.38 117.39 2jpa h ARG 60 Ca 0.30 -0.08 -0.35 0.00 -0.81 0.00 0.00 59.98 59.04 2jpa h ARG 60 Cb 0.73 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2jpa h ARG 60 CO -0.08 0.68 -1.82 0.45 -1.51 0.00 0.00 179.97 177.69 2jpa h HIS 61 N 0.98 0.53 0.00 2.20 3.86 -1.12 -3.35 115.15 118.26 2jpa h HIS 61 Ca 0.26 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2jpa h HIS 61 Cb -0.04 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2jpa h HIS 61 CO 0.00 1.62 -0.06 1.79 0.86 0.00 0.00 177.93 182.14 2jpa h THR 62 N 0.08 0.11 0.00 2.45 1.35 -0.93 -3.47 112.91 112.50 2jpa h THR 62 Ca -0.36 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2jpa h THR 62 Cb 2.06 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2jpa h THR 62 CO 0.13 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2jpa n GLY 63 N 0.94 1.02 3.68 5.82 0.00 0.86 -4.98 105.19 112.53 2jpa n GLY 63 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.64 3.75 -0.58 1.61 1.01 -1.20 -4.99 120.40 116.37 2jpa s VAL 64 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.12 2jpa s VAL 64 Cb 0.00 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.82 2jpa s VAL 64 CO 0.00 -0.02 0.34 -0.54 0.00 0.00 0.00 175.10 174.88 2jpa s LYS 65 N 2.64 2.16 0.29 2.72 1.02 -1.26 -4.71 119.74 122.59 2jpa s LYS 65 Ca 0.64 -2.80 0.24 0.00 0.02 0.00 0.00 55.97 54.07 2jpa s LYS 65 Cb -0.31 -3.39 0.45 0.00 -0.52 0.00 0.00 37.83 34.07 2jpa s LYS 65 CO 0.26 -1.16 1.55 -1.00 -0.92 0.00 0.00 175.35 174.08 2jpa h PRO 66 N 6.26 0.00 -5.24 -1.68 0.13 -1.82 -3.39 132.00 126.27 2jpa h PRO 66 Ca -0.02 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.44 2jpa h PRO 66 Cb 0.86 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.83 2jpa h PRO 66 CO 0.70 0.00 0.95 -0.06 -0.23 0.00 0.00 178.00 179.36 2jpa s PHE 67 N -3.19 2.99 -0.06 1.56 0.08 -0.41 -4.93 117.98 114.03 2jpa s PHE 67 Ca 0.07 -1.26 -0.10 0.00 0.12 0.00 0.00 56.93 55.77 2jpa s PHE 67 Cb 0.09 -4.36 -0.05 0.00 -0.57 0.00 0.00 43.02 38.14 2jpa s PHE 67 CO 0.67 -1.58 0.26 -1.14 -0.10 0.00 0.00 175.22 173.33 2jpa s GLN 68 N 3.16 3.63 0.33 0.44 0.74 -1.26 -0.22 119.66 126.48 2jpa s GLN 68 Ca 0.35 0.07 -0.28 0.00 0.05 0.00 0.00 55.36 55.54 2jpa s GLN 68 Cb -0.04 -3.18 -0.10 0.00 1.10 0.00 0.00 33.01 30.79 2jpa s GLN 68 CO -0.09 0.73 1.26 0.00 -0.55 0.00 0.00 175.29 176.64 2jpa n LYS 70 N 0.78 0.15 -0.05 0.00 4.01 -1.26 -2.42 118.16 119.38 2jpa n LYS 70 Ca 0.00 0.11 -0.04 0.00 -0.51 0.00 0.00 58.31 57.87 2jpa n LYS 70 Cb 0.43 -1.66 -0.01 0.00 -0.51 0.00 0.00 35.03 33.27 2jpa n LYS 70 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2jpa n THR 71 N -1.92 0.91 1.04 -0.18 -1.04 -1.26 -4.68 114.28 107.15 2jpa n THR 71 Ca 0.06 0.30 0.11 0.00 -2.04 0.00 0.00 64.05 62.48 2jpa n THR 71 Cb 0.39 -2.04 0.07 0.00 -1.82 0.00 0.00 70.33 66.93 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 0.07 -1.42 -2.45 0.00 1.13 -1.02 -4.98 117.38 108.71 2jpa n GLN 73 Ca 0.10 1.18 -0.37 0.00 -1.94 0.00 0.00 57.00 55.98 2jpa n GLN 73 Cb 0.47 -5.56 -0.03 0.00 0.11 0.00 0.00 30.24 25.22 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 -3.84 4.02 0.03 -1.09 6.06 -1.26 -4.62 118.95 118.25 2jpa s ARG 74 Ca 0.00 1.59 -0.01 0.00 -2.50 0.00 0.00 55.73 54.81 2jpa s ARG 74 Cb 0.00 -2.48 -0.04 0.00 0.06 0.00 0.00 34.95 32.49 2jpa s ARG 74 CO 0.00 -0.29 0.18 0.15 -2.50 0.00 0.00 175.30 172.84 2jpa s LYS 75 N -2.59 3.35 0.04 5.12 -0.14 -1.26 -0.09 119.74 124.17 2jpa s LYS 75 Ca 0.60 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.78 2jpa s LYS 75 Cb -0.24 -3.01 -0.03 0.00 -1.68 0.00 0.00 37.83 32.87 2jpa s LYS 75 CO 0.30 0.63 -0.03 -0.06 -0.76 0.00 0.00 175.35 175.43 2jpa s PHE 76 N -1.40 0.42 -1.24 3.18 0.08 0.70 -4.97 117.98 114.74 2jpa s PHE 76 Ca 0.30 -0.86 0.22 0.00 0.12 0.00 0.00 56.93 56.71 2jpa s PHE 76 Cb -0.13 -0.31 -0.13 0.00 -0.57 0.00 0.00 43.02 41.88 2jpa s PHE 76 CO 0.23 -0.31 0.98 -1.13 -0.10 0.00 0.00 175.22 174.88 2jpa n SER 77 N 0.68 1.21 -3.96 1.36 3.41 -1.26 -1.29 113.62 113.77 2jpa n SER 77 Ca -0.18 -1.08 -0.15 0.00 -0.26 0.00 0.00 58.87 57.21 2jpa n SER 77 Cb 0.59 0.84 -0.14 0.00 -0.26 0.00 0.00 64.21 65.24 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 -2.88 0.36 0.36 4.33 0.52 -1.26 -4.82 118.95 115.57 2jpa s ARG 78 Ca 0.11 -0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.15 2jpa s ARG 78 Cb 0.17 -0.31 0.70 0.00 0.52 0.00 0.00 34.95 36.03 2jpa s ARG 78 CO 0.79 0.08 1.88 0.66 0.02 0.00 0.00 175.30 178.73 2jpa h SER 79 N 5.79 0.30 -0.27 0.23 4.64 -1.96 -1.32 113.55 120.95 2jpa h SER 79 Ca -0.28 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 60.88 2jpa h SER 79 Cb 1.20 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2jpa h SER 79 CO 0.49 0.46 -0.14 -2.24 -0.87 0.00 0.00 176.83 174.53 2jpa h ASP 80 N 0.30 0.68 0.24 4.97 3.04 -1.98 0.20 116.42 123.87 2jpa h ASP 80 Ca 0.06 -0.21 -0.22 0.00 -3.24 0.00 0.00 57.03 53.42 2jpa h ASP 80 Cb 0.41 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 2jpa h ASP 80 CO 0.02 0.84 -0.90 0.45 -2.04 0.00 0.00 179.24 177.62 2jpa h HIS 81 N 0.63 0.69 -0.16 4.15 3.86 -1.89 -0.50 115.15 121.92 2jpa h HIS 81 Ca 0.10 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 2jpa h HIS 81 Cb 0.59 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2jpa h HIS 81 CO 0.03 1.17 0.01 1.25 0.86 0.00 0.00 177.93 181.25 2jpa h LEU 82 N 0.29 0.26 -1.28 2.43 6.46 -1.03 0.32 115.31 122.76 2jpa h LEU 82 Ca -0.07 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.36 2jpa h LEU 82 Cb 1.52 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 2jpa h LEU 82 CO 0.16 0.48 0.04 0.50 -0.62 0.00 0.00 178.44 179.00 2jpa h LYS 83 N 0.03 0.53 -0.03 1.25 3.64 -0.64 0.43 116.57 121.78 2jpa h LYS 83 Ca 0.05 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jpa h LYS 83 Cb 0.34 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jpa h LYS 83 CO 0.01 0.53 -0.00 1.15 -2.27 0.00 0.00 179.45 178.86 2jpa h THR 84 N 0.51 1.27 -0.15 1.00 2.02 -0.88 -3.07 112.91 113.61 2jpa h THR 84 Ca 0.12 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 2jpa h THR 84 Cb 0.27 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2jpa h THR 84 CO 0.00 0.22 -0.10 -0.74 0.37 0.00 0.00 175.52 175.28 2jpa h HIS 85 N -0.28 0.23 -0.93 3.16 -0.00 0.01 -1.56 115.15 115.77 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 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.61 2jpa h HIS 85 CO 0.04 0.32 0.56 1.15 -0.00 0.00 0.00 177.93 180.01 2jpa h THR 86 N 0.22 0.88 0.00 6.26 2.02 -0.07 0.37 112.91 122.59 2jpa h THR 86 Ca 0.05 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2jpa h THR 86 Cb 0.31 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2jpa h THR 86 CO 0.02 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.06 2jpa h ARG 87 N 0.88 0.00 -0.56 6.66 3.08 -1.21 -0.36 114.38 122.87 2jpa h ARG 87 Ca 0.47 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.54 2jpa h ARG 87 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2jpa h ARG 87 CO -0.28 0.03 0.34 1.15 -1.07 0.00 0.00 179.97 180.15 2jpa h THR 88 N 0.00 1.08 0.00 2.04 2.02 -1.00 0.17 112.91 117.23 2jpa h THR 88 Ca -0.00 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 2jpa h THR 88 Cb 0.13 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2jpa h THR 88 CO 0.00 0.13 -0.48 0.45 0.37 0.00 0.00 175.52 175.99 2jpa h HIS 89 N 0.69 0.00 -0.01 3.16 3.86 -1.19 -3.28 115.15 118.38 2jpa h HIS 89 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2jpa h HIS 89 Cb -0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2jpa h HIS 89 CO -0.05 0.25 -0.37 2.41 0.86 0.00 0.00 177.93 181.02 2jpa n THR 90 N -3.07 0.00 -1.59 2.45 -1.04 -0.32 -4.94 114.28 105.77 2jpa n THR 90 Ca 0.01 -0.11 -0.20 0.00 -2.04 0.00 0.00 64.05 61.71 2jpa n THR 90 Cb 0.64 0.50 -0.08 0.00 -1.82 0.00 0.00 70.33 69.56 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 1.88 3.49 3.41 0.00 0.54 -4.92 105.19 110.97 2jpa n GLY 91 Ca 0.10 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.72 3.20 -0.52 1.61 -6.30 -0.82 -4.97 118.70 107.18 2jpa s GLU 92 Ca 0.00 -0.58 0.04 0.00 -2.50 0.00 0.00 54.97 51.93 2jpa s GLU 92 Cb 0.00 -4.16 0.14 0.00 0.00 0.00 0.00 34.13 30.11 2jpa s GLU 92 CO 0.00 -1.71 0.30 0.15 0.02 0.00 0.00 175.26 174.02 2jpa s LYS 93 N 4.13 1.81 0.16 4.30 1.02 -1.26 -4.41 119.74 125.49 2jpa s LYS 93 Ca 0.26 -2.55 0.24 0.00 0.02 0.00 0.00 55.97 53.94 2jpa s LYS 93 Cb -0.15 -2.96 0.34 0.00 -0.52 0.00 0.00 37.83 34.54 2jpa s LYS 93 CO 0.14 -1.17 1.34 -1.00 -0.92 0.00 0.00 175.35 173.74 2jpa h PRO 94 N 6.34 0.00 -4.69 -1.68 0.13 -1.82 -3.40 132.00 126.87 2jpa h PRO 94 Ca -0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.40 2jpa h PRO 94 Cb 0.88 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.88 2jpa h PRO 94 CO 0.62 0.00 1.98 1.19 -0.23 0.00 0.00 178.00 181.56 2jpa n PHE 95 N -2.26 4.27 -2.73 1.56 3.72 -0.28 -4.91 117.46 116.83 2jpa n PHE 95 Ca 0.03 -3.05 -0.36 0.00 -0.05 0.00 0.00 57.45 54.02 2jpa n PHE 95 Cb 0.46 -2.32 -0.06 0.00 -0.94 0.00 0.00 39.48 36.62 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 2.85 7.15 0.79 4.37 1.04 -1.26 -1.02 113.70 127.63 2jpa s SER 96 Ca 0.46 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.64 2jpa s SER 96 Cb 0.04 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.65 2jpa s SER 96 CO 0.01 -0.20 1.09 0.00 0.98 0.00 0.00 173.24 175.12 2jpa n ARG 98 N -3.57 0.86 -1.73 0.00 3.00 -1.26 -4.74 116.66 109.21 2jpa n ARG 98 Ca 0.08 -0.83 -0.38 0.00 -0.01 0.00 0.00 57.85 56.72 2jpa n ARG 98 Cb 0.54 -0.85 0.06 0.00 0.00 0.00 0.00 32.46 32.20 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 -0.20 2.05 0.68 -1.55 7.02 -1.26 -4.83 117.44 119.34 2jpa n TRP 99 Ca 0.00 0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.90 2jpa n TRP 99 Cb 0.21 -2.30 0.00 0.00 -2.42 0.00 0.00 31.31 26.80 2jpa n TRP 99 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2jpa n PRO 100 N -1.52 0.68 -0.42 -0.99 -0.04 -1.26 -2.00 135.00 129.44 2jpa n PRO 100 Ca 0.14 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2jpa n PRO 100 Cb 0.47 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.53 -0.04 -4.63 3.54 7.64 -1.26 -5.16 113.62 114.24 2jpa n SER 101 Ca 0.00 -0.83 -0.27 0.00 1.01 0.00 0.00 58.87 58.78 2jpa n SER 101 Cb 0.29 0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.99 0.00 -3.11 0.00 0.00 -1.26 -4.84 117.38 107.18 2jpa n GLN 103 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 57.00 56.62 2jpa n GLN 103 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.84 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jpa s LYS 104 N 0.00 4.11 0.07 2.61 1.02 -1.26 -4.85 119.74 121.43 2jpa s LYS 104 Ca 0.00 0.76 0.06 0.00 0.02 0.00 0.00 55.97 56.81 2jpa s LYS 104 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2jpa s LYS 104 CO 0.00 0.24 -0.16 0.15 -0.92 0.00 0.00 175.35 174.65 2jpa s LYS 105 N -2.62 0.97 0.16 1.68 1.02 -1.26 -0.55 119.74 119.14 2jpa s LYS 105 Ca 0.50 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.59 2jpa s LYS 105 Cb -0.13 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.09 2jpa s LYS 105 CO 0.19 0.25 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.68 2jpa s PHE 106 N -1.11 1.43 -2.51 3.18 0.08 -0.19 -4.94 117.98 113.93 2jpa s PHE 106 Ca 0.02 -0.67 0.25 0.00 0.12 0.00 0.00 56.93 56.65 2jpa s PHE 106 Cb -0.09 -0.70 0.51 0.00 -0.57 0.00 0.00 43.02 42.16 2jpa s PHE 106 CO 0.03 0.19 1.43 0.00 -0.10 0.00 0.00 175.22 176.76 2jpa n ALA 107 N -0.18 2.77 -2.89 5.36 0.00 -1.26 -1.13 120.51 123.18 2jpa n ALA 107 Ca -0.10 -0.56 -0.18 0.00 0.00 0.00 0.00 53.44 52.59 2jpa n ALA 107 Cb 0.60 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.15 0.72 0.18 0.00 0.52 -1.26 -4.87 118.95 112.09 2jpa s ARG 108 Ca 0.29 -0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 2jpa s ARG 108 Cb 0.20 -0.70 0.13 0.00 0.52 0.00 0.00 34.95 35.10 2jpa s ARG 108 CO 0.39 0.13 1.78 1.03 0.02 0.00 0.00 175.30 178.65 2jpa h SER 109 N 6.19 0.34 0.02 0.23 0.87 -1.96 -1.72 113.55 117.53 2jpa h SER 109 Ca -0.32 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 2jpa h SER 109 Cb 1.18 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2jpa h SER 109 CO 0.49 0.24 -0.25 -2.24 -0.53 0.00 0.00 176.83 174.55 2jpa h ASP 110 N 0.48 0.37 -0.67 6.23 2.03 -1.98 0.96 116.42 123.84 2jpa h ASP 110 Ca 0.22 -0.12 -0.00 0.00 -0.73 0.00 0.00 57.03 56.40 2jpa h ASP 110 Cb 0.13 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.50 2jpa h ASP 110 CO -0.16 0.62 0.41 -0.33 -1.03 0.00 0.00 179.24 178.76 2jpa h GLU 111 N 0.33 0.90 -0.61 4.15 5.08 -1.82 0.14 114.58 122.75 2jpa h GLU 111 Ca 0.05 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2jpa h GLU 111 Cb 0.62 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2jpa h GLU 111 CO 0.04 0.63 0.03 1.25 -1.00 0.00 0.00 179.01 179.96 2jpa h LEU 112 N 0.90 1.03 -0.60 1.33 5.85 -0.72 0.07 115.31 123.17 2jpa h LEU 112 Ca 0.24 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2jpa h LEU 112 Cb -0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2jpa h LEU 112 CO -0.05 1.07 0.35 0.58 -0.34 0.00 0.00 178.44 180.06 2jpa h VAL 113 N 0.96 1.04 -0.29 1.05 2.07 -0.37 -0.64 116.25 120.07 2jpa h VAL 113 Ca 0.18 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2jpa h VAL 113 Cb 0.53 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2jpa h VAL 113 CO 0.03 0.13 0.14 -0.09 0.02 0.00 0.00 177.57 177.79 2jpa h ARG 114 N 0.69 0.42 -0.34 1.57 2.43 -0.49 -2.31 114.38 116.35 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 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2jpa h ARG 114 CO -0.12 0.40 -0.02 1.25 -1.51 0.00 0.00 179.97 179.97 2jpa h HIS 115 N 0.34 -0.05 -0.99 2.20 2.76 -0.39 0.64 115.15 119.65 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 29.08 2jpa h HIS 115 CO -0.02 -0.08 0.64 0.45 -1.30 0.00 0.00 177.93 177.62 2jpa h HIS 116 N 0.07 1.17 0.00 5.26 3.86 -1.04 0.14 115.15 124.61 2jpa h HIS 116 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2jpa h HIS 116 Cb 0.23 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jpa h HIS 116 CO -0.26 0.58 0.00 -0.91 0.86 0.00 0.00 177.93 178.20 2jpa h ASN 117 N 1.12 0.00 -0.32 2.45 2.35 -0.35 -1.88 115.58 118.95 2jpa h ASN 117 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 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 -0.19 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.82 2jpa n MET 118 N -2.39 2.30 0.00 0.81 2.81 -0.19 -5.09 117.12 115.36 2jpa n MET 118 Ca 0.03 -1.96 0.12 0.00 -1.81 0.00 0.00 57.70 54.08 2jpa n MET 118 Cb 0.28 -1.32 0.72 0.00 -0.71 0.00 0.00 33.22 32.19 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06