#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa n SER 2 N 0.00 0.00 -0.01 0.00 7.64 -1.26 -4.51 113.62 115.48 2jpa n SER 2 Ca 0.00 -1.02 0.14 0.00 1.01 0.00 0.00 58.87 59.00 2jpa n SER 2 Cb 0.00 -0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.78 2jpa n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jpa n GLU 3 N 0.00 0.13 -2.64 1.43 4.71 -1.26 -4.89 120.64 118.12 2jpa n GLU 3 Ca 0.00 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.16 57.07 2jpa n GLU 3 Cb 0.50 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.41 2jpa n GLU 3 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2jpa n LYS 4 N -1.41 0.34 -3.22 3.49 3.00 -1.26 -5.12 118.16 113.97 2jpa n LYS 4 Ca 0.09 -0.95 -0.25 0.00 -0.00 0.00 0.00 58.31 57.20 2jpa n LYS 4 Cb 0.32 0.69 -0.06 0.00 0.00 0.00 0.00 35.03 35.98 2jpa n LYS 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jpa n ARG 5 N -0.20 1.97 -0.20 1.64 1.74 -1.26 -4.74 116.66 115.60 2jpa n ARG 5 Ca 0.01 -4.14 -0.01 0.00 -0.77 0.00 0.00 57.85 52.94 2jpa n ARG 5 Cb 0.17 -1.90 0.09 0.00 -1.02 0.00 0.00 32.46 29.81 2jpa n ARG 5 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2jpa h PRO 6 N 3.69 0.49 -5.03 5.56 0.11 -1.90 -3.44 132.00 131.48 2jpa h PRO 6 Ca 0.14 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.83 2jpa h PRO 6 Cb 0.73 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 31.59 2jpa h PRO 6 CO 0.68 0.32 -0.63 -0.06 -0.21 0.00 0.00 178.00 178.11 2jpa s PHE 7 N -6.10 1.63 0.08 0.65 0.08 -0.18 -4.99 117.98 109.16 2jpa s PHE 7 Ca -0.13 -1.04 0.01 0.00 0.12 0.00 0.00 56.93 55.89 2jpa s PHE 7 Cb 0.16 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2jpa s PHE 7 CO 0.75 -0.16 -0.06 0.00 -0.10 0.00 0.00 175.22 175.65 2jpa s MET 8 N -3.94 0.76 -0.11 0.44 0.23 -1.26 -0.66 119.30 114.76 2jpa s MET 8 Ca 0.34 -1.24 -0.02 0.00 -1.03 0.00 0.00 55.69 53.74 2jpa s MET 8 Cb 0.07 -0.16 -0.03 0.00 -1.53 0.00 0.00 34.83 33.18 2jpa s MET 8 CO 0.12 -0.02 -0.03 0.00 -2.03 0.00 0.00 175.02 173.06 2jpa n ALA 10 N 2.74 2.41 -2.33 0.00 0.00 -1.26 -4.33 120.51 117.74 2jpa n ALA 10 Ca -0.18 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2jpa n ALA 10 Cb 0.53 -1.44 -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 -3.04 3.12 -0.76 0.00 5.04 -1.26 -4.92 117.35 115.53 2jpa s TYR 11 Ca 0.12 1.05 0.19 0.00 -2.44 0.00 0.00 57.07 56.00 2jpa s TYR 11 Cb 0.17 -3.54 0.80 0.00 0.35 0.00 0.00 41.96 39.74 2jpa s TYR 11 CO 0.57 -1.85 1.59 -0.35 -1.34 0.00 0.00 175.55 174.17 2jpa n PRO 12 N 4.87 0.09 0.00 4.97 -0.04 -1.26 -1.86 135.00 141.78 2jpa n PRO 12 Ca 0.11 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2jpa n PRO 12 Cb 0.45 -1.67 0.20 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.07 -0.43 3.97 0.55 0.00 -1.26 -4.97 105.19 103.12 2jpa n GLY 13 Ca 0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2jpa n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpa h ASN 15 N -0.65 0.00 -0.43 0.00 -0.00 -1.93 -3.47 115.58 109.10 2jpa h ASN 15 Ca -0.40 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 55.74 2jpa h ASN 15 Cb 1.27 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.53 2jpa h ASN 15 CO 0.44 0.26 -0.15 0.29 -0.00 0.00 0.00 177.43 178.27 2jpa n LYS 16 N -3.39 -0.56 -3.95 4.14 5.02 -1.26 -4.93 118.16 113.24 2jpa n LYS 16 Ca 0.00 0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 56.92 2jpa n LYS 16 Cb 0.47 -4.59 -0.14 0.00 -0.02 0.00 0.00 35.03 30.74 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 -2.79 0.13 0.22 1.97 0.52 -1.26 -1.98 118.95 115.75 2jpa s ARG 17 Ca 0.00 -0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.05 2jpa s ARG 17 Cb 0.00 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 2jpa s ARG 17 CO 0.00 0.02 0.28 0.71 0.02 0.00 0.00 175.30 176.33 2jpa s TYR 18 N -0.17 0.83 -0.07 -0.53 2.02 0.17 -4.73 117.35 114.86 2jpa s TYR 18 Ca -0.01 -1.11 0.04 0.00 -0.37 0.00 0.00 57.07 55.62 2jpa s TYR 18 Cb -0.01 -0.25 -0.07 0.00 -0.40 0.00 0.00 41.96 41.23 2jpa s TYR 18 CO -0.00 -0.79 -0.02 0.34 -1.57 0.00 0.00 175.55 173.51 2jpa n PHE 19 N -0.32 0.00 -4.67 2.71 -0.00 -1.26 -1.01 117.46 112.91 2jpa n PHE 19 Ca 0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.12 2jpa n PHE 19 Cb 0.64 -0.33 -0.13 0.00 -0.00 0.00 0.00 39.48 39.66 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2jpa s LYS 20 N -2.17 3.38 0.16 -4.13 -0.14 -1.26 -4.66 119.74 110.92 2jpa s LYS 20 Ca -0.07 -0.63 -0.20 0.00 -1.36 0.00 0.00 55.97 53.71 2jpa s LYS 20 Cb 0.02 -2.69 0.06 0.00 -1.68 0.00 0.00 37.83 33.54 2jpa s LYS 20 CO 0.25 0.27 1.64 1.37 -0.76 0.00 0.00 175.35 178.12 2jpa h LEU 21 N 6.53 -0.61 -0.20 3.17 -0.00 -1.96 0.38 115.31 122.61 2jpa h LEU 21 Ca -0.30 0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2jpa h LEU 21 Cb 1.20 0.32 -0.01 0.00 -0.00 0.00 0.00 40.66 42.18 2jpa h LEU 21 CO 0.57 -0.22 -0.08 0.77 -0.00 0.00 0.00 178.44 179.48 2jpa h SER 22 N -0.14 0.42 0.16 0.17 4.64 -1.98 0.11 113.55 116.92 2jpa h SER 22 Ca 0.17 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 2jpa h SER 22 Cb 0.40 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2jpa h SER 22 CO -0.41 0.72 -0.16 1.12 -0.87 0.00 0.00 176.83 177.23 2jpa h HIS 23 N 0.11 0.01 -0.13 4.77 2.07 -1.92 0.24 115.15 120.30 2jpa h HIS 23 Ca 0.05 -0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.39 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 0.18 -0.59 1.25 -3.07 0.00 0.00 177.93 175.76 2jpa h LEU 24 N 0.01 0.74 -1.11 6.12 7.12 -0.81 -1.06 115.31 126.32 2jpa h LEU 24 Ca 0.00 -0.63 0.05 0.00 0.13 0.00 0.00 57.88 57.43 2jpa h LEU 24 Cb 0.30 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.15 2jpa h LEU 24 CO 0.02 1.25 0.61 -0.61 -0.13 0.00 0.00 178.44 179.57 2jpa h GLN 25 N 0.27 1.08 -0.28 1.25 4.15 0.65 0.13 115.11 122.37 2jpa h GLN 25 Ca -0.04 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 2jpa h GLN 25 Cb 1.22 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 2jpa h GLN 25 CO 0.12 0.71 -0.12 1.98 -1.93 0.00 0.00 178.83 179.60 2jpa h MET 26 N 1.11 0.57 -0.90 1.69 4.05 -0.61 -3.21 114.93 117.63 2jpa h MET 26 Ca 0.39 -0.24 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 2jpa h MET 26 Cb 0.11 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 2jpa h MET 26 CO -0.13 0.81 0.59 1.25 0.23 0.00 0.00 176.91 179.65 2jpa h HIS 27 N 0.32 1.06 -0.51 1.39 -0.00 0.23 -1.05 115.15 116.60 2jpa h HIS 27 Ca 0.06 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 2jpa h HIS 27 Cb 0.62 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 2jpa h HIS 27 CO 0.06 0.58 0.34 1.03 -0.00 0.00 0.00 177.93 179.93 2jpa h SER 28 N 1.06 0.49 -0.93 3.26 0.87 -0.81 -1.45 113.55 116.04 2jpa h SER 28 Ca 0.38 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 61.08 2jpa h SER 28 Cb 0.13 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 61.90 2jpa h SER 28 CO -0.13 0.34 0.59 -0.09 -0.53 0.00 0.00 176.83 177.01 2jpa h ARG 29 N 0.57 0.74 -0.40 2.24 1.12 -1.24 0.53 114.38 117.94 2jpa h ARG 29 Ca 0.20 -0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.08 2jpa h ARG 29 Cb 0.11 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 29.85 2jpa h ARG 29 CO -0.05 0.49 0.13 -0.22 -3.11 0.00 0.00 179.97 177.20 2jpa h LYS 30 N 0.76 0.27 0.00 0.20 3.64 -1.37 -2.62 116.57 117.45 2jpa h LYS 30 Ca 0.48 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 2jpa h LYS 30 Cb 0.71 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2jpa h LYS 30 CO -0.24 0.18 -0.04 0.45 -2.27 0.00 0.00 179.45 177.53 2jpa h HIS 31 N 0.28 0.00 0.00 1.91 3.86 -1.00 -1.16 115.15 119.04 2jpa h HIS 31 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2jpa h HIS 31 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2jpa h HIS 31 CO -0.16 0.04 0.04 0.25 0.86 0.00 0.00 177.93 178.96 2jpa n THR 32 N -3.18 0.96 0.08 2.45 -2.24 -0.99 -0.12 114.28 111.24 2jpa n THR 32 Ca -0.00 0.75 0.11 0.00 -2.27 0.00 0.00 64.05 62.64 2jpa n THR 32 Cb 0.29 -1.75 0.23 0.00 -2.10 0.00 0.00 70.33 67.00 2jpa n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jpa n GLY 33 N -1.29 1.95 0.00 3.38 0.00 -0.44 -3.98 105.19 104.81 2jpa n GLY 33 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.39 0.56 -3.62 1.61 1.02 0.82 -4.95 120.64 117.48 2jpa n GLU 34 Ca 0.19 -0.61 -0.38 0.00 -0.02 0.00 0.00 57.16 56.33 2jpa n GLU 34 Cb 0.58 -0.67 -0.07 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.23 3.04 -0.94 3.49 2.20 -0.88 -5.04 119.74 121.37 2jpa s LYS 35 Ca 0.00 -2.81 -0.24 0.00 -0.36 0.00 0.00 55.97 52.56 2jpa s LYS 35 Cb 0.00 -3.95 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 2jpa s LYS 35 CO 0.00 -1.23 1.48 -1.25 -0.36 0.00 0.00 175.35 174.00 2jpa s PRO 36 N -0.53 3.38 1.10 4.03 0.04 -1.26 -4.06 135.00 137.70 2jpa s PRO 36 Ca 0.21 -0.82 -0.15 0.00 0.04 0.00 0.00 61.00 60.29 2jpa s PRO 36 Cb -0.14 -5.08 0.24 0.00 0.04 0.00 0.00 34.50 29.56 2jpa s PRO 36 CO -0.07 -2.34 1.08 0.71 0.04 0.00 0.00 177.00 176.42 2jpa s TYR 37 N 5.79 1.45 0.10 0.56 2.02 0.66 -4.75 117.35 123.19 2jpa s TYR 37 Ca 0.47 0.83 0.04 0.00 -0.37 0.00 0.00 57.07 58.05 2jpa s TYR 37 Cb -0.03 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 2jpa s TYR 37 CO -0.04 -3.40 -0.11 -0.65 -1.57 0.00 0.00 175.55 169.79 2jpa s GLN 38 N -5.04 0.89 0.47 -0.62 -0.21 -1.26 -0.99 119.66 112.89 2jpa s GLN 38 Ca 0.67 -1.19 -0.24 0.00 0.02 0.00 0.00 55.36 54.62 2jpa s GLN 38 Cb -0.17 -0.59 -0.08 0.00 1.00 0.00 0.00 33.01 33.18 2jpa s GLN 38 CO 0.58 0.09 1.36 0.00 -2.12 0.00 0.00 175.29 175.20 2jpa n ASP 40 N -0.26 0.43 -4.68 0.00 5.68 -1.26 -4.87 116.55 111.59 2jpa n ASP 40 Ca 0.07 -0.19 -0.42 0.00 -0.50 0.00 0.00 54.79 53.74 2jpa n ASP 40 Cb 0.42 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2jpa s PHE 41 N -2.85 2.44 -1.06 2.11 5.36 -1.26 -4.88 117.98 117.84 2jpa s PHE 41 Ca 0.16 0.51 0.05 0.00 -0.96 0.00 0.00 56.93 56.69 2jpa s PHE 41 Cb 0.19 -3.80 0.24 0.00 -0.34 0.00 0.00 43.02 39.30 2jpa s PHE 41 CO 0.60 -3.17 1.15 1.63 -1.46 0.00 0.00 175.22 173.97 2jpa n LYS 42 N 6.20 0.01 -0.03 10.12 5.02 -1.26 -1.42 118.16 136.79 2jpa n LYS 42 Ca 0.15 0.38 0.01 0.00 -2.02 0.00 0.00 58.31 56.84 2jpa n LYS 42 Cb 0.43 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jpa n ASP 43 N -1.47 2.00 -4.99 4.39 8.00 -1.26 -5.05 116.55 118.16 2jpa n ASP 43 Ca 0.01 -1.79 -0.19 0.00 0.71 0.00 0.00 54.79 53.53 2jpa n ASP 43 Cb 0.06 -0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.92 0.00 -3.12 0.00 0.00 -1.26 -4.96 120.64 109.37 2jpa n GLU 45 Ca 0.09 -1.23 -0.24 0.00 0.00 0.00 0.00 57.16 55.78 2jpa n GLU 45 Cb 0.60 0.27 -0.00 0.00 0.00 0.00 0.00 31.44 32.31 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2jpa s ARG 46 N 0.00 3.38 -0.01 5.31 3.00 -1.26 -4.97 118.95 124.40 2jpa s ARG 46 Ca 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 55.73 55.53 2jpa s ARG 46 Cb 0.12 -2.57 -0.00 0.00 0.00 0.00 0.00 34.95 32.49 2jpa s ARG 46 CO -0.05 -0.04 0.08 -0.98 0.00 0.00 0.00 175.30 174.31 2jpa s ARG 47 N -4.47 0.27 -0.00 3.54 1.70 -1.26 -1.51 118.95 117.22 2jpa s ARG 47 Ca 0.44 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.50 2jpa s ARG 47 Cb -0.10 0.11 -0.00 0.00 -0.57 0.00 0.00 34.95 34.39 2jpa s ARG 47 CO 0.38 -0.05 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.45 2jpa s PHE 48 N -0.76 0.35 -0.21 5.89 0.08 -0.16 -4.93 117.98 118.24 2jpa s PHE 48 Ca -0.08 -0.07 0.28 0.00 0.12 0.00 0.00 56.93 57.18 2jpa s PHE 48 Cb -0.05 -0.24 0.91 0.00 -0.57 0.00 0.00 43.02 43.08 2jpa s PHE 48 CO 0.00 -0.01 1.81 0.66 -0.10 0.00 0.00 175.22 177.58 2jpa h SER 49 N 6.10 0.00 -4.21 1.36 4.64 -1.84 0.19 113.55 119.79 2jpa h SER 49 Ca -0.27 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.63 2jpa h SER 49 Cb 1.19 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.09 2jpa h SER 49 CO 0.50 0.00 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.57 2jpa s ARG 50 N -3.43 0.95 0.49 4.77 0.52 -1.26 -3.90 118.95 117.10 2jpa s ARG 50 Ca 0.04 -1.14 0.18 0.00 -0.52 0.00 0.00 55.73 54.29 2jpa s ARG 50 Cb 0.08 -0.88 1.21 0.00 0.52 0.00 0.00 34.95 35.88 2jpa s ARG 50 CO 0.58 0.18 2.07 0.66 0.02 0.00 0.00 175.30 178.81 2jpa h SER 51 N 3.79 0.00 -0.38 0.23 4.64 -1.91 -1.54 113.55 118.39 2jpa h SER 51 Ca -0.40 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 2jpa h SER 51 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2jpa h SER 51 CO 0.47 0.11 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.66 2jpa h ASP 52 N 0.00 0.74 -0.38 4.97 3.58 -1.98 0.25 116.42 123.60 2jpa h ASP 52 Ca -0.00 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.04 2jpa h ASP 52 Cb 0.22 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2jpa h ASP 52 CO 0.01 0.94 0.10 1.56 -2.88 0.00 0.00 179.24 178.98 2jpa h GLN 53 N 0.54 0.61 -0.55 0.28 4.20 -1.81 0.13 115.11 118.51 2jpa h GLN 53 Ca 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2jpa h GLN 53 Cb 0.63 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2jpa h GLN 53 CO 0.04 0.64 0.27 1.25 -0.67 0.00 0.00 178.83 180.36 2jpa h LEU 54 N 0.47 0.71 -0.41 1.46 5.85 -1.23 0.47 115.31 122.63 2jpa h LEU 54 Ca 0.12 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2jpa h LEU 54 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2jpa h LEU 54 CO 0.00 0.63 0.19 0.50 -0.34 0.00 0.00 178.44 179.42 2jpa h LYS 55 N 0.73 0.59 -0.38 1.25 3.64 -0.23 0.90 116.57 123.07 2jpa h LYS 55 Ca 0.19 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2jpa h LYS 55 Cb 0.10 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2jpa h LYS 55 CO -0.03 0.52 0.13 0.00 -2.27 0.00 0.00 179.45 177.81 2jpa h ARG 56 N 0.52 0.28 -0.80 1.90 3.08 -0.58 -2.76 114.38 116.01 2jpa h ARG 56 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2jpa h ARG 56 Cb 0.13 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2jpa h ARG 56 CO -0.02 0.18 0.50 1.25 -1.07 0.00 0.00 179.97 180.82 2jpa h HIS 57 N 0.28 1.04 -0.96 3.04 2.76 -0.35 -1.47 115.15 119.49 2jpa h HIS 57 Ca 0.18 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.51 2jpa h HIS 57 Cb 0.16 -0.34 -0.08 0.00 1.55 0.00 0.00 27.41 28.69 2jpa h HIS 57 CO -0.15 0.68 0.61 0.37 -1.30 0.00 0.00 177.93 178.14 2jpa h GLN 58 N 1.09 0.77 -0.55 5.26 4.15 -0.55 -0.34 115.11 124.94 2jpa h GLN 58 Ca 0.29 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.75 2jpa h GLN 58 Cb -0.07 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 2jpa h GLN 58 CO -0.06 0.51 0.37 0.00 -1.93 0.00 0.00 178.83 177.72 2jpa h ARG 59 N 0.80 0.38 -0.06 1.69 2.47 -1.15 0.56 114.38 119.07 2jpa h ARG 59 Ca 0.50 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 59.09 2jpa h ARG 59 Cb 0.73 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2jpa h ARG 59 CO -0.27 0.25 -0.45 0.07 0.56 0.00 0.00 179.97 180.13 2jpa h ARG 60 N 0.39 0.15 0.16 0.04 -0.00 -1.12 0.10 114.38 114.11 2jpa h ARG 60 Ca 0.25 -0.08 -0.24 0.00 -0.00 0.00 0.00 59.98 59.91 2jpa h ARG 60 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.46 2jpa h ARG 60 CO -0.07 0.58 -1.12 0.45 -0.00 0.00 0.00 179.97 179.81 2jpa h HIS 61 N 0.12 0.62 -0.00 4.08 3.86 -1.01 -3.34 115.15 119.48 2jpa h HIS 61 Ca 0.01 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2jpa h HIS 61 Cb 0.85 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2jpa h HIS 61 CO 0.01 1.43 -0.14 -2.37 0.86 0.00 0.00 177.93 177.72 2jpa n THR 62 N -3.98 0.00 -1.01 2.45 5.66 -0.01 -4.93 114.28 112.47 2jpa n THR 62 Ca -0.17 -0.05 -0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2jpa n THR 62 Cb 0.91 -0.09 -0.00 0.00 -1.55 0.00 0.00 70.33 69.59 2jpa n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jpa n GLY 63 N 1.33 0.29 3.62 1.09 0.00 0.34 -4.96 105.19 106.91 2jpa n GLY 63 Ca 0.13 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.57 4.08 -0.62 1.61 1.01 -1.06 -4.98 120.40 118.88 2jpa s VAL 64 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.20 2jpa s VAL 64 Cb 0.00 -4.16 0.15 0.00 0.00 0.00 0.00 36.38 32.38 2jpa s VAL 64 CO 0.00 -0.53 0.40 -0.54 0.00 0.00 0.00 175.10 174.43 2jpa s LYS 65 N 4.33 2.35 0.24 2.72 3.01 -1.26 -4.57 119.74 126.56 2jpa s LYS 65 Ca 0.57 -2.78 0.23 0.00 -1.01 0.00 0.00 55.97 52.99 2jpa s LYS 65 Cb -0.16 -3.52 0.13 0.00 -1.01 0.00 0.00 37.83 33.26 2jpa s LYS 65 CO 0.25 -1.17 1.21 -1.00 0.51 0.00 0.00 175.35 175.15 2jpa h PRO 66 N 6.43 0.00 -6.04 -1.68 0.13 -1.81 -3.39 132.00 125.64 2jpa h PRO 66 Ca -0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.55 2jpa h PRO 66 Cb 0.88 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.91 2jpa h PRO 66 CO 0.72 0.00 0.94 -0.06 -0.23 0.00 0.00 178.00 179.36 2jpa s PHE 67 N -3.30 2.44 -0.13 1.56 0.08 -0.47 -4.91 117.98 113.24 2jpa s PHE 67 Ca 0.02 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2jpa s PHE 67 Cb 0.09 -4.53 -0.05 0.00 -0.57 0.00 0.00 43.02 37.97 2jpa s PHE 67 CO 0.75 -1.93 0.22 -1.14 -0.10 0.00 0.00 175.22 173.02 2jpa s GLN 68 N 5.11 3.90 0.21 0.44 0.74 -1.26 -0.07 119.66 128.74 2jpa s GLN 68 Ca 0.32 -0.01 -0.31 0.00 0.05 0.00 0.00 55.36 55.41 2jpa s GLN 68 Cb -0.10 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.60 2jpa s GLN 68 CO 0.11 0.51 1.50 0.00 -0.55 0.00 0.00 175.29 176.86 2jpa h LYS 70 N 5.84 0.00 0.00 0.00 1.57 -1.96 -2.31 116.57 119.72 2jpa h LYS 70 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2jpa h LYS 70 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2jpa h LYS 70 CO 0.84 0.00 0.00 2.41 -0.57 0.00 0.00 179.45 182.13 2jpa n THR 71 N -2.84 0.00 1.28 -0.16 -1.04 -1.26 -4.67 114.28 105.59 2jpa n THR 71 Ca 0.01 0.32 0.13 0.00 -2.04 0.00 0.00 64.05 62.48 2jpa n THR 71 Cb 0.27 -1.21 0.46 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 -0.83 -1.11 -2.40 0.00 1.13 -0.87 -4.99 117.38 108.32 2jpa n GLN 73 Ca 0.12 0.86 -0.37 0.00 -1.94 0.00 0.00 57.00 55.68 2jpa n GLN 73 Cb 0.32 -4.96 -0.02 0.00 0.11 0.00 0.00 30.24 25.68 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 -2.81 3.95 -0.08 -1.09 3.52 -1.26 -4.60 118.95 116.58 2jpa s ARG 74 Ca 0.00 1.64 -0.00 0.00 -0.13 0.00 0.00 55.73 57.24 2jpa s ARG 74 Cb 0.00 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.90 2jpa s ARG 74 CO 0.00 -0.36 -0.05 0.15 -0.81 0.00 0.00 175.30 174.23 2jpa s LYS 75 N -2.62 2.91 0.18 5.12 1.02 -1.26 0.01 119.74 125.09 2jpa s LYS 75 Ca 0.61 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.14 2jpa s LYS 75 Cb -0.25 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 2jpa s LYS 75 CO 0.31 0.62 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.19 2jpa s PHE 76 N -0.68 1.47 -2.32 3.18 0.08 0.90 -4.98 117.98 115.63 2jpa s PHE 76 Ca 0.10 -0.70 0.19 0.00 0.12 0.00 0.00 56.93 56.64 2jpa s PHE 76 Cb -0.11 -0.73 0.13 0.00 -0.57 0.00 0.00 43.02 41.73 2jpa s PHE 76 CO 0.02 0.18 1.09 -1.13 -0.10 0.00 0.00 175.22 175.28 2jpa n SER 77 N -0.29 2.49 -3.89 1.36 3.41 -1.26 -1.36 113.62 114.07 2jpa n SER 77 Ca -0.09 -1.75 -0.13 0.00 -0.26 0.00 0.00 58.87 56.64 2jpa n SER 77 Cb 0.61 0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.70 0.14 0.26 4.33 0.52 -1.26 -4.87 118.95 116.37 2jpa s ARG 78 Ca 0.22 -0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.37 2jpa s ARG 78 Cb 0.16 -0.14 0.35 0.00 0.52 0.00 0.00 34.95 35.83 2jpa s ARG 78 CO 0.28 0.02 1.72 0.66 0.02 0.00 0.00 175.30 178.01 2jpa h SER 79 N 6.18 0.65 -0.12 0.23 4.64 -1.98 -1.33 113.55 121.83 2jpa h SER 79 Ca -0.26 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 2jpa h SER 79 Cb 1.20 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2jpa h SER 79 CO 0.51 0.81 -0.22 -2.24 -0.87 0.00 0.00 176.83 174.81 2jpa h ASP 80 N 0.60 0.55 -0.21 4.97 2.03 -1.98 0.18 116.42 122.56 2jpa h ASP 80 Ca 0.10 -0.18 -0.06 0.00 -0.73 0.00 0.00 57.03 56.15 2jpa h ASP 80 Cb 0.58 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 2jpa h ASP 80 CO 0.04 0.78 -0.12 0.45 -1.03 0.00 0.00 179.24 179.36 2jpa h HIS 81 N 0.49 0.53 -0.19 4.15 3.86 -1.93 -1.25 115.15 120.81 2jpa h HIS 81 Ca 0.07 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2jpa h HIS 81 Cb 0.66 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2jpa h HIS 81 CO 0.02 0.75 0.07 1.25 0.86 0.00 0.00 177.93 180.88 2jpa h LEU 82 N 0.16 0.26 -1.00 2.43 6.46 -0.98 0.28 115.31 122.93 2jpa h LEU 82 Ca 0.05 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 2jpa h LEU 82 Cb 0.62 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 2jpa h LEU 82 CO 0.03 0.38 0.53 0.50 -0.62 0.00 0.00 178.44 179.27 2jpa h LYS 83 N 0.14 1.23 -0.01 1.25 3.64 -0.70 0.47 116.57 122.59 2jpa h LYS 83 Ca 0.06 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jpa h LYS 83 Cb 0.20 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2jpa h LYS 83 CO -0.00 0.87 0.00 1.15 -2.27 0.00 0.00 179.45 179.19 2jpa h THR 84 N 1.25 1.19 -0.73 1.00 2.02 -0.97 -2.72 112.91 113.94 2jpa h THR 84 Ca 0.32 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2jpa h THR 84 Cb -0.04 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2jpa h THR 84 CO -0.06 0.15 0.29 -0.74 0.37 0.00 0.00 175.52 175.53 2jpa h HIS 85 N -0.22 1.10 -0.89 3.16 -0.00 -0.14 -1.74 115.15 116.42 2jpa h HIS 85 Ca 0.00 -0.08 0.11 0.00 -0.00 0.00 0.00 60.37 60.41 2jpa h HIS 85 Cb 0.24 -0.33 -0.08 0.00 -0.00 0.00 0.00 27.41 27.23 2jpa h HIS 85 CO 0.01 0.84 0.52 1.15 -0.00 0.00 0.00 177.93 180.44 2jpa h THR 86 N 1.06 0.87 0.00 6.26 2.02 0.02 -0.58 112.91 122.56 2jpa h THR 86 Ca 0.24 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2jpa h THR 86 Cb 0.21 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2jpa h THR 86 CO -0.02 0.15 -0.12 0.03 0.37 0.00 0.00 175.52 175.93 2jpa h ARG 87 N 0.82 0.00 -0.28 6.66 3.08 -0.99 -1.52 114.38 122.14 2jpa h ARG 87 Ca 0.44 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.51 2jpa h ARG 87 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2jpa h ARG 87 CO -0.28 0.12 0.19 1.79 -1.07 0.00 0.00 179.97 180.72 2jpa h THR 88 N 0.00 1.03 0.00 2.04 1.35 -1.04 0.78 112.91 117.07 2jpa h THR 88 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2jpa h THR 88 Cb 0.52 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2jpa h THR 88 CO 0.02 0.06 0.00 0.45 -0.25 0.00 0.00 175.52 175.79 2jpa h HIS 89 N 0.32 0.00 -0.01 4.73 3.86 -1.34 -3.18 115.15 119.53 2jpa h HIS 89 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2jpa h HIS 89 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2jpa h HIS 89 CO -0.00 0.00 -0.51 0.25 0.86 0.00 0.00 177.93 178.53 2jpa n THR 90 N -2.89 0.00 -1.10 2.45 -2.24 0.14 -4.96 114.28 105.69 2jpa n THR 90 Ca 0.04 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2jpa n THR 90 Cb 0.47 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.42 0.40 3.57 3.38 0.00 -0.45 -4.91 105.19 108.59 2jpa n GLY 91 Ca 0.09 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.05 2.96 -0.63 1.61 2.56 -1.16 -4.93 118.70 117.06 2jpa s GLU 92 Ca 0.00 0.83 0.05 0.00 0.00 0.00 0.00 54.97 55.85 2jpa s GLU 92 Cb 0.00 -4.28 0.16 0.00 2.00 0.00 0.00 34.13 32.00 2jpa s GLU 92 CO 0.00 -2.33 0.40 0.15 -0.56 0.00 0.00 175.26 172.93 2jpa s LYS 93 N 6.35 2.21 0.18 4.30 1.02 -1.26 -4.42 119.74 128.13 2jpa s LYS 93 Ca 0.68 -3.03 0.24 0.00 0.02 0.00 0.00 55.97 53.89 2jpa s LYS 93 Cb -0.15 -3.28 0.44 0.00 -0.52 0.00 0.00 37.83 34.32 2jpa s LYS 93 CO 0.25 -1.23 1.44 -1.00 -0.92 0.00 0.00 175.35 173.90 2jpa h PRO 94 N 5.80 0.00 -5.17 -1.68 0.13 -1.82 -3.39 132.00 125.87 2jpa h PRO 94 Ca 0.07 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.50 2jpa h PRO 94 Cb 0.81 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.83 2jpa h PRO 94 CO 0.69 0.00 2.03 1.19 -0.23 0.00 0.00 178.00 181.68 2jpa n PHE 95 N -2.29 4.53 -2.68 1.56 3.72 -0.30 -4.91 117.46 117.09 2jpa n PHE 95 Ca 0.04 -3.01 -0.40 0.00 -0.05 0.00 0.00 57.45 54.02 2jpa n PHE 95 Cb 0.46 -2.45 -0.05 0.00 -0.94 0.00 0.00 39.48 36.50 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 3.47 7.52 0.16 4.37 1.04 -1.26 -0.95 113.70 128.05 2jpa s SER 96 Ca 0.49 1.97 -0.30 0.00 0.48 0.00 0.00 55.95 58.58 2jpa s SER 96 Cb 0.03 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 2jpa s SER 96 CO 0.03 0.03 1.30 0.00 0.98 0.00 0.00 173.24 175.58 2jpa n ARG 98 N 3.02 1.64 -2.06 0.00 5.12 -1.26 -3.85 116.66 119.27 2jpa n ARG 98 Ca 0.07 -1.02 -0.42 0.00 -1.93 0.00 0.00 57.85 54.55 2jpa n ARG 98 Cb 0.43 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 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 -2.07 2.33 0.15 -1.55 0.52 -1.26 -4.93 118.94 112.13 2jpa s TRP 99 Ca 0.35 0.41 -0.19 0.00 0.02 0.00 0.00 56.10 56.68 2jpa s TRP 99 Cb 0.21 -3.85 0.04 0.00 -1.15 0.00 0.00 33.47 28.72 2jpa s TRP 99 CO 0.36 -3.42 1.67 -1.35 0.02 0.00 0.00 176.95 174.23 2jpa h PRO 100 N 8.78 -0.08 -2.35 4.98 0.11 -2.03 -2.52 132.00 138.88 2jpa h PRO 100 Ca -0.39 0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.37 2jpa h PRO 100 Cb 1.18 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2jpa h PRO 100 CO 0.94 -0.05 1.12 -1.13 -0.21 0.00 0.00 178.00 178.66 2jpa n SER 101 N -5.30 6.49 0.00 -2.05 3.41 -1.26 -4.21 113.62 110.70 2jpa n SER 101 Ca -0.00 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 2jpa n SER 101 Cb 0.22 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 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 -0.78 -5.32 -1.48 0.00 1.13 -0.97 -4.99 117.38 104.96 2jpa n GLN 103 Ca 0.00 0.59 -0.29 0.00 -1.94 0.00 0.00 57.00 55.36 2jpa n GLN 103 Cb 0.00 -5.47 0.13 0.00 0.11 0.00 0.00 30.24 25.01 2jpa n GLN 103 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2jpa s LYS 104 N -6.58 1.22 0.01 -1.09 2.47 -1.26 -4.73 119.74 109.77 2jpa s LYS 104 Ca 0.65 0.39 0.05 0.00 -1.56 0.00 0.00 55.97 55.50 2jpa s LYS 104 Cb -0.33 -1.84 -0.02 0.00 -1.46 0.00 0.00 37.83 34.19 2jpa s LYS 104 CO 0.80 -2.17 -0.15 0.15 0.16 0.00 0.00 175.35 174.15 2jpa s LYS 105 N -5.21 1.12 0.16 4.03 3.01 -1.26 -0.21 119.74 121.37 2jpa s LYS 105 Ca 0.63 -0.64 0.06 0.00 -1.01 0.00 0.00 55.97 55.02 2jpa s LYS 105 Cb -0.15 -1.11 -0.04 0.00 -1.01 0.00 0.00 37.83 35.51 2jpa s LYS 105 CO 0.54 0.29 -0.13 -0.06 0.51 0.00 0.00 175.35 176.50 2jpa s PHE 106 N -0.55 1.47 -2.52 3.18 0.08 -0.13 -4.95 117.98 114.55 2jpa s PHE 106 Ca 0.04 -0.62 0.24 0.00 0.12 0.00 0.00 56.93 56.72 2jpa s PHE 106 Cb -0.07 -0.73 0.33 0.00 -0.57 0.00 0.00 43.02 41.99 2jpa s PHE 106 CO 0.00 0.20 1.32 0.00 -0.10 0.00 0.00 175.22 176.64 2jpa n ALA 107 N 0.04 2.85 -2.75 5.36 0.00 -1.26 -1.14 120.51 123.61 2jpa n ALA 107 Ca -0.12 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 2jpa n ALA 107 Cb 0.59 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.19 0.55 0.17 0.00 0.52 -1.26 -4.85 118.95 111.89 2jpa s ARG 108 Ca 0.27 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 54.97 2jpa s ARG 108 Cb 0.20 -0.50 0.10 0.00 0.52 0.00 0.00 34.95 35.27 2jpa s ARG 108 CO 0.41 0.13 1.77 0.66 0.02 0.00 0.00 175.30 178.29 2jpa h SER 109 N 5.63 0.29 -0.01 0.23 4.64 -1.96 -1.87 113.55 120.50 2jpa h SER 109 Ca -0.31 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.96 2jpa h SER 109 Cb 1.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2jpa h SER 109 CO 0.48 0.21 -0.21 -2.24 -0.87 0.00 0.00 176.83 174.19 2jpa h ASP 110 N 0.42 0.38 -0.54 4.97 2.03 -1.98 0.94 116.42 122.64 2jpa h ASP 110 Ca 0.20 -0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.38 2jpa h ASP 110 Cb 0.12 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.49 2jpa h ASP 110 CO -0.15 0.61 0.34 -0.33 -1.03 0.00 0.00 179.24 178.67 2jpa h GLU 111 N 0.35 0.73 -0.63 4.15 5.08 -1.84 0.17 114.58 122.59 2jpa h GLU 111 Ca 0.06 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jpa h GLU 111 Cb 0.57 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2jpa h GLU 111 CO 0.04 0.52 0.16 1.25 -1.00 0.00 0.00 179.01 179.98 2jpa h LEU 112 N 0.73 0.95 -0.42 1.33 5.85 -0.78 -0.47 115.31 122.50 2jpa h LEU 112 Ca 0.20 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jpa h LEU 112 Cb -0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 2jpa h LEU 112 CO -0.04 0.93 0.22 0.58 -0.34 0.00 0.00 178.44 179.79 2jpa h VAL 113 N 0.92 1.00 -0.30 1.05 2.07 -0.33 -0.38 116.25 120.28 2jpa h VAL 113 Ca 0.20 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2jpa h VAL 113 Cb 0.34 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2jpa h VAL 113 CO 0.00 0.08 0.17 -0.09 0.02 0.00 0.00 177.57 177.75 2jpa h ARG 114 N 0.45 0.41 -0.32 1.57 2.43 -0.49 -2.06 114.38 116.38 2jpa h ARG 114 Ca 0.18 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2jpa h ARG 114 Cb 0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2jpa h ARG 114 CO -0.11 0.35 -0.02 1.25 -1.51 0.00 0.00 179.97 179.93 2jpa h HIS 115 N 0.37 -0.05 -0.84 2.20 2.76 -0.56 0.31 115.15 119.34 2jpa h HIS 115 Ca 0.11 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 2jpa h HIS 115 Cb 0.05 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 2jpa h HIS 115 CO -0.03 -0.07 0.55 0.45 -1.30 0.00 0.00 177.93 177.52 2jpa h HIS 116 N 0.07 0.94 0.00 5.26 3.86 -0.93 -0.03 115.15 124.33 2jpa h HIS 116 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2jpa h HIS 116 Cb 0.21 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2jpa h HIS 116 CO -0.24 0.49 0.00 -0.91 0.86 0.00 0.00 177.93 178.13 2jpa h ASN 117 N 0.93 0.00 -0.02 2.45 2.35 -0.25 -1.69 115.58 119.35 2jpa h ASN 117 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2jpa h ASN 117 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2jpa h ASN 117 CO -0.13 0.00 -0.15 0.23 -1.65 0.00 0.00 177.43 175.73 2jpa n MET 118 N -2.41 1.78 0.00 0.81 2.81 -0.15 -5.09 117.12 114.87 2jpa n MET 118 Ca 0.03 -1.49 0.10 0.00 -1.81 0.00 0.00 57.70 54.53 2jpa n MET 118 Cb 0.29 -1.41 0.62 0.00 -0.71 0.00 0.00 33.22 32.01 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06