#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa s SER 2 N 0.00 -0.07 0.00 0.00 0.01 -1.26 -5.01 113.70 107.36 2jpa s SER 2 Ca 0.00 -0.38 0.24 0.00 1.31 0.00 0.00 55.95 57.12 2jpa s SER 2 Cb 0.00 0.36 1.33 0.00 0.21 0.00 0.00 66.02 67.92 2jpa s SER 2 CO 0.00 -0.69 1.80 -0.62 0.41 0.00 0.00 173.24 174.15 2jpa n GLU 3 N -0.58 0.56 -2.22 12.44 -0.58 -1.26 -4.48 120.64 124.52 2jpa n GLU 3 Ca -0.05 0.03 -0.33 0.00 -0.42 0.00 0.00 57.16 56.40 2jpa n GLU 3 Cb 0.61 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.94 2jpa n GLU 3 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jpa s LYS 4 N -2.27 2.94 -0.43 3.49 -0.14 -1.26 -4.77 119.74 117.30 2jpa s LYS 4 Ca 0.30 -1.32 0.09 0.00 -1.36 0.00 0.00 55.97 53.67 2jpa s LYS 4 Cb 0.16 -5.31 0.28 0.00 -1.68 0.00 0.00 37.83 31.28 2jpa s LYS 4 CO 0.32 -3.41 0.63 0.54 -0.76 0.00 0.00 175.35 172.67 2jpa n ARG 5 N 8.38 1.17 0.04 1.68 1.74 -1.26 -4.93 116.66 123.49 2jpa n ARG 5 Ca 0.45 -3.56 -0.10 0.00 -0.77 0.00 0.00 57.85 53.87 2jpa n ARG 5 Cb 0.47 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 2jpa n ARG 5 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2jpa h PRO 6 N 3.72 0.43 -6.06 5.56 0.13 -1.86 -3.46 132.00 130.46 2jpa h PRO 6 Ca 0.10 -0.35 -0.61 0.00 -0.87 0.00 0.00 66.00 64.27 2jpa h PRO 6 Cb 0.85 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.92 2jpa h PRO 6 CO 0.54 0.98 -0.69 -0.06 -0.23 0.00 0.00 178.00 178.55 2jpa s PHE 7 N -3.64 2.42 0.09 1.56 0.08 -0.48 -5.00 117.98 112.99 2jpa s PHE 7 Ca -0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.59 2jpa s PHE 7 Cb 0.10 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2jpa s PHE 7 CO 0.84 0.61 -0.06 -1.64 -0.10 0.00 0.00 175.22 174.87 2jpa s MET 8 N -3.60 0.77 -0.23 0.44 -1.94 -1.26 -0.71 119.30 112.77 2jpa s MET 8 Ca 0.32 -1.25 -0.09 0.00 -1.71 0.00 0.00 55.69 52.96 2jpa s MET 8 Cb -0.01 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.61 2jpa s MET 8 CO 0.17 -0.02 0.10 0.00 -0.01 0.00 0.00 175.02 175.26 2jpa n ALA 10 N 4.30 2.15 -2.18 0.00 0.00 -1.26 -4.52 120.51 119.00 2jpa n ALA 10 Ca -0.16 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2jpa n ALA 10 Cb 0.52 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.88 3.36 -0.81 0.00 5.04 -1.26 -4.91 117.35 115.89 2jpa s TYR 11 Ca 0.15 1.25 -0.06 0.00 -2.44 0.00 0.00 57.07 55.96 2jpa s TYR 11 Cb 0.16 -3.51 -0.11 0.00 0.35 0.00 0.00 41.96 38.85 2jpa s TYR 11 CO 0.42 -1.60 2.58 -0.35 -1.34 0.00 0.00 175.55 175.26 2jpa n PRO 12 N 3.27 2.33 0.00 4.97 -0.04 -1.26 -3.75 135.00 140.52 2jpa n PRO 12 Ca 0.08 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2jpa n PRO 12 Cb 0.44 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.34 -1.38 3.60 0.55 0.00 -1.26 -5.18 105.19 104.86 2jpa n GLY 13 Ca 0.50 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.98 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 2.13 0.00 -0.24 0.00 -0.00 -1.95 -3.46 115.58 112.06 2jpa h ASN 15 Ca -0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 55.91 2jpa h ASN 15 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.52 2jpa h ASN 15 CO 0.38 0.01 -0.09 1.17 -0.00 0.00 0.00 177.43 178.89 2jpa n LYS 16 N -3.12 -0.72 -3.85 4.14 4.81 -1.26 -4.93 118.16 113.23 2jpa n LYS 16 Ca -0.01 0.56 -0.12 0.00 -0.87 0.00 0.00 58.31 57.87 2jpa n LYS 16 Cb 0.23 -4.33 -0.12 0.00 0.02 0.00 0.00 35.03 30.83 2jpa n LYS 16 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2jpa s ARG 17 N -1.94 0.19 0.22 1.64 3.00 -1.26 -1.98 118.95 118.82 2jpa s ARG 17 Ca 0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 55.73 54.71 2jpa s ARG 17 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 34.95 35.01 2jpa s ARG 17 CO 0.00 -0.03 0.27 0.71 0.00 0.00 0.00 175.30 176.25 2jpa s TYR 18 N -0.22 0.84 -0.05 5.12 2.02 0.11 -4.72 117.35 120.44 2jpa s TYR 18 Ca -0.03 -1.11 0.01 0.00 -0.37 0.00 0.00 57.07 55.57 2jpa s TYR 18 Cb -0.02 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.24 2jpa s TYR 18 CO 0.00 -0.79 -0.03 1.19 -1.57 0.00 0.00 175.55 174.35 2jpa n PHE 19 N -0.32 0.00 -3.96 2.71 3.01 -1.26 -1.38 117.46 116.26 2jpa n PHE 19 Ca 0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 2jpa n PHE 19 Cb 0.64 -0.22 -0.13 0.00 -0.01 0.00 0.00 39.48 39.77 2jpa n PHE 19 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2jpa s LYS 20 N -2.11 3.56 0.26 -1.08 2.47 -1.26 -4.74 119.74 116.84 2jpa s LYS 20 Ca -0.06 -0.54 -0.03 0.00 -1.56 0.00 0.00 55.97 53.78 2jpa s LYS 20 Cb 0.02 -3.12 0.52 0.00 -1.46 0.00 0.00 37.83 33.80 2jpa s LYS 20 CO 0.14 -0.09 1.68 1.37 0.16 0.00 0.00 175.35 178.61 2jpa h LEU 21 N 7.84 0.03 -0.20 5.43 -0.00 -1.99 0.16 115.31 126.58 2jpa h LEU 21 Ca -0.38 0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 57.60 2jpa h LEU 21 Cb 1.17 0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 2jpa h LEU 21 CO 0.60 -0.05 -0.08 0.28 -0.00 0.00 0.00 178.44 179.18 2jpa h SER 22 N 0.27 0.42 0.32 0.17 0.02 -1.98 0.11 113.55 112.90 2jpa h SER 22 Ca 0.45 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2jpa h SER 22 Cb 0.80 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2jpa h SER 22 CO -0.54 0.73 -0.28 1.12 -1.14 0.00 0.00 176.83 176.71 2jpa h HIS 23 N 0.12 0.00 -0.14 3.45 2.07 -1.71 0.19 115.15 119.13 2jpa h HIS 23 Ca 0.05 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.35 2jpa h HIS 23 Cb 0.56 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.55 2jpa h HIS 23 CO 0.06 0.28 -0.77 1.25 -3.07 0.00 0.00 177.93 175.69 2jpa h LEU 24 N 0.00 0.85 -1.13 6.12 7.12 -0.64 -0.19 115.31 127.44 2jpa h LEU 24 Ca -0.00 -0.56 0.05 0.00 0.13 0.00 0.00 57.88 57.50 2jpa h LEU 24 Cb 0.52 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.35 2jpa h LEU 24 CO 0.04 1.35 0.59 -0.61 -0.13 0.00 0.00 178.44 179.68 2jpa h GLN 25 N 0.49 1.06 -0.09 1.25 -0.00 0.38 0.24 115.11 118.45 2jpa h GLN 25 Ca -0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 2jpa h GLN 25 Cb 1.39 -0.24 -0.00 0.00 0.00 0.00 0.00 27.48 28.62 2jpa h GLN 25 CO 0.15 0.70 -0.04 0.52 0.00 0.00 0.00 178.83 180.17 2jpa h MET 26 N 1.10 0.19 -0.62 1.69 2.86 -0.60 -3.19 114.93 116.35 2jpa h MET 26 Ca 0.37 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 2jpa h MET 26 Cb 0.08 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2jpa h MET 26 CO -0.12 0.53 0.41 1.25 1.06 0.00 0.00 176.91 180.04 2jpa h HIS 27 N -0.16 0.64 -0.56 -0.22 -0.00 -0.29 -1.40 115.15 113.17 2jpa h HIS 27 Ca 0.02 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 2jpa h HIS 27 Cb 0.47 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 2jpa h HIS 27 CO 0.06 0.35 0.37 0.77 -0.00 0.00 0.00 177.93 179.48 2jpa h SER 28 N 0.65 0.56 -0.92 3.26 0.02 -0.53 -1.30 113.55 115.29 2jpa h SER 28 Ca 0.26 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.31 2jpa h SER 28 Cb 0.22 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 2jpa h SER 28 CO -0.08 0.39 0.59 -0.09 -1.14 0.00 0.00 176.83 176.50 2jpa h ARG 29 N 0.66 0.86 -0.41 3.45 1.12 -1.31 0.75 114.38 119.51 2jpa h ARG 29 Ca 0.22 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 59.09 2jpa h ARG 29 Cb 0.07 -0.19 -0.05 0.00 -0.01 0.00 0.00 29.97 29.79 2jpa h ARG 29 CO -0.06 0.57 0.14 -0.22 -3.11 0.00 0.00 179.97 177.29 2jpa h LYS 30 N 0.89 0.29 0.00 0.20 1.63 -1.36 -2.57 116.57 115.64 2jpa h LYS 30 Ca 0.43 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2jpa h LYS 30 Cb 0.46 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2jpa h LYS 30 CO -0.20 0.19 -0.12 0.45 -3.45 0.00 0.00 179.45 176.32 2jpa h HIS 31 N 0.30 0.00 0.00 1.91 3.86 -0.96 -2.37 115.15 117.89 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 0.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2jpa h HIS 31 CO -0.15 0.12 -0.00 1.79 0.86 0.00 0.00 177.93 180.55 2jpa h THR 32 N 0.00 0.70 -0.00 2.45 1.35 -0.96 0.44 112.91 116.90 2jpa h THR 32 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2jpa h THR 32 Cb 0.88 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2jpa h THR 32 CO 0.02 0.00 -0.69 0.61 -0.25 0.00 0.00 175.52 175.21 2jpa n GLY 33 N -1.40 -0.85 0.08 5.82 0.00 -0.91 -3.71 105.19 104.22 2jpa n GLY 33 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2jpa n GLY 33 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jpa h GLU 34 N 0.54 0.03 -2.26 1.61 4.81 -0.79 -3.37 114.58 115.15 2jpa h GLU 34 Ca 0.00 -0.05 -0.62 0.00 -0.13 0.00 0.00 59.36 58.56 2jpa h GLU 34 Cb 0.54 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 29.53 2jpa h GLU 34 CO 0.00 0.67 -0.46 0.36 -0.73 0.00 0.00 179.01 178.85 2jpa n LYS 35 N -3.16 2.80 -1.84 1.92 2.85 -0.22 -5.09 118.16 115.42 2jpa n LYS 35 Ca -0.14 -4.69 -0.33 0.00 -1.05 0.00 0.00 58.31 52.10 2jpa n LYS 35 Cb 1.03 -2.28 0.04 0.00 -0.65 0.00 0.00 35.03 33.16 2jpa n LYS 35 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2jpa s PRO 36 N -2.62 2.92 0.54 -1.58 0.04 -1.24 -4.87 135.00 128.19 2jpa s PRO 36 Ca 0.40 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2jpa s PRO 36 Cb 0.15 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2jpa s PRO 36 CO -0.01 -1.16 0.80 0.71 0.04 0.00 0.00 177.00 177.38 2jpa s TYR 37 N -2.30 3.13 0.07 0.56 1.51 0.24 -4.88 117.35 115.68 2jpa s TYR 37 Ca 0.67 0.34 0.04 0.00 -1.01 0.00 0.00 57.07 57.11 2jpa s TYR 37 Cb -0.20 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 38.99 2jpa s TYR 37 CO 0.39 -0.72 -0.12 -1.14 -1.11 0.00 0.00 175.55 172.85 2jpa s GLN 38 N -4.81 0.75 0.67 -0.62 0.74 -1.26 -0.73 119.66 114.40 2jpa s GLN 38 Ca 0.53 -0.95 -0.17 0.00 0.05 0.00 0.00 55.36 54.82 2jpa s GLN 38 Cb -0.10 -0.63 0.00 0.00 1.10 0.00 0.00 33.01 33.38 2jpa s GLN 38 CO 0.41 0.13 1.23 0.00 -0.55 0.00 0.00 175.29 176.51 2jpa n ASP 40 N -2.18 0.72 -4.61 0.00 5.68 -1.26 -4.56 116.55 110.34 2jpa n ASP 40 Ca 0.14 -0.51 -0.42 0.00 -0.50 0.00 0.00 54.79 53.49 2jpa n ASP 40 Cb 0.49 0.27 -0.04 0.00 -1.14 0.00 0.00 41.12 40.70 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 -2.84 3.15 0.15 2.11 5.36 -1.26 -4.93 117.98 119.72 2jpa s PHE 41 Ca 0.15 0.78 0.34 0.00 -0.96 0.00 0.00 56.93 57.24 2jpa s PHE 41 Cb 0.18 -3.39 1.62 0.00 -0.34 0.00 0.00 43.02 41.09 2jpa s PHE 41 CO 0.66 -0.68 2.02 0.87 -1.46 0.00 0.00 175.22 176.63 2jpa h LYS 42 N 8.27 0.00 -0.03 10.12 1.57 -2.02 -0.16 116.57 134.32 2jpa h LYS 42 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2jpa h LYS 42 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2jpa h LYS 42 CO 0.92 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 176.33 2jpa n ASP 43 N -2.84 1.72 0.01 0.86 2.03 -1.26 -4.57 116.55 112.49 2jpa n ASP 43 Ca -0.01 -1.58 -0.00 0.00 0.52 0.00 0.00 54.79 53.72 2jpa n ASP 43 Cb 0.18 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.57 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jpa n GLU 45 N -2.71 -3.92 -1.96 0.00 -0.58 -0.55 -4.98 120.64 105.95 2jpa n GLU 45 Ca -0.00 0.49 -0.30 0.00 -0.42 0.00 0.00 57.16 56.93 2jpa n GLU 45 Cb 0.01 -5.26 0.03 0.00 -0.57 0.00 0.00 31.44 25.65 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 -6.40 3.16 0.05 3.49 0.52 -1.26 -4.69 118.95 113.81 2jpa s ARG 46 Ca 0.56 0.51 0.07 0.00 -0.52 0.00 0.00 55.73 56.35 2jpa s ARG 46 Cb -0.29 -2.08 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 2jpa s ARG 46 CO 0.69 -0.80 -0.20 -0.98 0.02 0.00 0.00 175.30 174.03 2jpa s ARG 47 N -5.24 1.30 -0.01 3.54 1.70 -1.26 0.00 118.95 118.99 2jpa s ARG 47 Ca 0.56 -0.92 0.04 0.00 -0.47 0.00 0.00 55.73 54.94 2jpa s ARG 47 Cb -0.11 -1.41 -0.01 0.00 -0.57 0.00 0.00 34.95 32.86 2jpa s ARG 47 CO 0.52 0.36 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.90 2jpa s PHE 48 N -0.82 1.25 -0.61 5.89 0.08 0.09 -4.96 117.98 118.89 2jpa s PHE 48 Ca 0.06 -0.25 0.07 0.00 0.12 0.00 0.00 56.93 56.93 2jpa s PHE 48 Cb -0.09 -0.81 0.42 0.00 -0.57 0.00 0.00 43.02 41.97 2jpa s PHE 48 CO 0.02 -0.04 1.14 -1.13 -0.10 0.00 0.00 175.22 175.11 2jpa n SER 49 N 2.81 3.41 -3.60 1.36 3.41 -1.26 -0.59 113.62 119.16 2jpa n SER 49 Ca -0.15 -2.48 -0.16 0.00 -0.26 0.00 0.00 58.87 55.82 2jpa n SER 49 Cb 0.55 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 2jpa n SER 49 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jpa s ARG 50 N -1.89 0.92 0.17 4.33 0.52 -1.26 -3.90 118.95 117.84 2jpa s ARG 50 Ca 0.28 0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.62 2jpa s ARG 50 Cb 0.21 0.43 0.08 0.00 0.52 0.00 0.00 34.95 36.19 2jpa s ARG 50 CO 0.08 -0.26 1.74 0.66 0.02 0.00 0.00 175.30 177.54 2jpa h SER 51 N 3.54 0.81 -0.06 0.23 4.64 -1.94 -1.78 113.55 118.98 2jpa h SER 51 Ca -0.28 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 2jpa h SER 51 Cb 1.15 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2jpa h SER 51 CO 0.35 0.74 -0.17 -2.24 -0.87 0.00 0.00 176.83 174.64 2jpa h ASP 52 N 0.83 0.41 -0.37 4.97 2.03 -1.98 0.04 116.42 122.35 2jpa h ASP 52 Ca 0.20 -0.11 -0.05 0.00 -0.73 0.00 0.00 57.03 56.34 2jpa h ASP 52 Cb 0.17 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.54 2jpa h ASP 52 CO -0.02 0.60 0.04 1.56 -1.03 0.00 0.00 179.24 180.40 2jpa h GLN 53 N 0.39 0.63 -0.34 4.15 1.08 -1.83 0.30 115.11 119.48 2jpa h GLN 53 Ca 0.07 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2jpa h GLN 53 Cb 0.52 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2jpa h GLN 53 CO 0.03 0.70 0.12 1.25 -0.95 0.00 0.00 178.83 179.99 2jpa h LEU 54 N 0.46 0.48 -0.72 1.46 5.85 -1.11 0.91 115.31 122.65 2jpa h LEU 54 Ca 0.11 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jpa h LEU 54 Cb 0.39 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2jpa h LEU 54 CO 0.01 0.54 0.44 0.11 -0.34 0.00 0.00 178.44 179.20 2jpa h LYS 55 N 0.40 0.98 -0.24 1.25 1.57 -0.80 0.21 116.57 119.94 2jpa h LYS 55 Ca 0.11 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jpa h LYS 55 Cb 0.22 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2jpa h LYS 55 CO -0.01 0.69 0.13 -0.09 -0.57 0.00 0.00 179.45 179.61 2jpa h ARG 56 N 0.98 0.33 -0.66 3.15 1.12 -0.29 -2.88 114.38 116.13 2jpa h ARG 56 Ca 0.26 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.09 2jpa h ARG 56 Cb -0.04 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.82 2jpa h ARG 56 CO -0.05 0.29 0.39 1.25 -3.11 0.00 0.00 179.97 178.74 2jpa h HIS 57 N 0.28 0.86 -0.90 2.20 2.76 -0.18 -1.72 115.15 118.45 2jpa h HIS 57 Ca 0.08 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.42 2jpa h HIS 57 Cb 0.05 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 28.66 2jpa h HIS 57 CO -0.04 0.58 0.58 0.37 -1.30 0.00 0.00 177.93 178.12 2jpa h GLN 58 N 0.90 0.59 -0.64 5.26 4.15 -0.39 -0.36 115.11 124.63 2jpa h GLN 58 Ca 0.24 -0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.75 2jpa h GLN 58 Cb -0.03 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 2jpa h GLN 58 CO -0.04 0.39 0.43 0.00 -1.93 0.00 0.00 178.83 177.68 2jpa h ARG 59 N 0.60 0.29 -0.88 1.69 2.47 -1.31 -0.08 114.38 117.17 2jpa h ARG 59 Ca 0.47 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.26 2jpa h ARG 59 Cb 0.88 -0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 29.07 2jpa h ARG 59 CO -0.22 0.19 0.53 -0.09 0.56 0.00 0.00 179.97 180.94 2jpa h ARG 60 N 0.30 0.87 0.01 0.04 2.43 -1.19 0.12 114.38 116.96 2jpa h ARG 60 Ca 0.31 -0.05 -0.32 0.00 -0.81 0.00 0.00 59.98 59.10 2jpa h ARG 60 Cb 0.79 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 2jpa h ARG 60 CO -0.07 0.58 -1.97 0.72 -1.51 0.00 0.00 179.97 177.71 2jpa n HIS 61 N -4.67 0.67 0.14 2.20 8.25 -0.21 -4.05 115.22 117.54 2jpa n HIS 61 Ca 0.14 0.23 0.02 0.00 -0.26 0.00 0.00 57.72 57.85 2jpa n HIS 61 Cb 0.26 -1.12 0.08 0.00 1.12 0.00 0.00 29.99 30.33 2jpa n HIS 61 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2jpa h THR 62 N 0.01 1.00 0.00 1.59 1.35 -1.05 -3.47 112.91 112.33 2jpa h THR 62 Ca -0.39 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 2jpa h THR 62 Cb 2.09 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.87 2jpa h THR 62 CO 0.06 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2jpa n GLY 63 N 0.98 1.68 3.67 5.82 0.00 0.42 -5.01 105.19 112.74 2jpa n GLY 63 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jpa n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpa s VAL 64 N -2.63 4.10 -0.54 1.61 0.11 -1.24 -4.99 120.40 116.82 2jpa s VAL 64 Ca 0.00 1.37 0.04 0.00 -2.93 0.00 0.00 61.98 60.46 2jpa s VAL 64 Cb 0.00 -3.88 0.14 0.00 -1.53 0.00 0.00 36.38 31.11 2jpa s VAL 64 CO 0.00 -0.09 0.31 -0.54 -3.33 0.00 0.00 175.10 171.45 2jpa s LYS 65 N 3.25 1.89 0.46 1.54 1.02 -1.26 -4.78 119.74 121.87 2jpa s LYS 65 Ca 0.59 -2.62 0.25 0.00 0.02 0.00 0.00 55.97 54.21 2jpa s LYS 65 Cb -0.25 -3.06 0.55 0.00 -0.52 0.00 0.00 37.83 34.55 2jpa s LYS 65 CO 0.19 -1.17 1.69 -1.00 -0.92 0.00 0.00 175.35 174.15 2jpa h PRO 66 N 6.29 0.00 -5.70 -1.68 0.13 -1.89 -3.38 132.00 125.78 2jpa h PRO 66 Ca -0.01 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.47 2jpa h PRO 66 Cb 0.87 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.88 2jpa h PRO 66 CO 0.64 0.01 1.57 -0.06 -0.23 0.00 0.00 178.00 179.92 2jpa s PHE 67 N -3.30 2.81 -0.09 1.56 0.08 -0.44 -4.92 117.98 113.68 2jpa s PHE 67 Ca 0.06 -1.30 -0.15 0.00 0.12 0.00 0.00 56.93 55.65 2jpa s PHE 67 Cb 0.06 -4.60 -0.05 0.00 -0.57 0.00 0.00 43.02 37.86 2jpa s PHE 67 CO 0.64 -1.76 0.37 -1.14 -0.10 0.00 0.00 175.22 173.23 2jpa s GLN 68 N 3.98 4.11 0.13 0.44 0.74 -1.26 -0.22 119.66 127.59 2jpa s GLN 68 Ca 0.46 0.28 -0.31 0.00 0.05 0.00 0.00 55.36 55.83 2jpa s GLN 68 Cb -0.00 -3.35 -0.09 0.00 1.10 0.00 0.00 33.01 30.67 2jpa s GLN 68 CO -0.04 0.40 1.57 0.00 -0.55 0.00 0.00 175.29 176.68 2jpa h LYS 70 N 7.19 0.00 0.00 0.00 6.56 -1.96 -1.81 116.57 126.55 2jpa h LYS 70 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 2jpa h LYS 70 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jpa h LYS 70 CO 0.91 0.00 0.00 2.41 -2.06 0.00 0.00 179.45 180.71 2jpa n THR 71 N -2.50 0.00 1.18 -0.16 -1.04 -1.26 -4.65 114.28 105.85 2jpa n THR 71 Ca 0.02 0.40 0.12 0.00 -2.04 0.00 0.00 64.05 62.56 2jpa n THR 71 Cb 0.28 -1.29 0.26 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.24 -0.99 -2.15 0.00 1.13 -0.68 -4.99 117.38 109.46 2jpa n GLN 73 Ca 0.12 0.96 -0.41 0.00 -1.94 0.00 0.00 57.00 55.74 2jpa n GLN 73 Cb 0.40 -5.05 -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 -3.10 4.38 -0.13 -1.09 6.06 -1.26 -4.64 118.95 119.17 2jpa s ARG 74 Ca 0.00 2.18 -0.01 0.00 -2.50 0.00 0.00 55.73 55.39 2jpa s ARG 74 Cb 0.00 -3.09 -0.02 0.00 0.06 0.00 0.00 34.95 31.90 2jpa s ARG 74 CO 0.00 -0.16 -0.08 0.15 -2.50 0.00 0.00 175.30 172.71 2jpa s LYS 75 N -1.67 3.35 0.23 5.12 1.02 -1.26 0.00 119.74 126.54 2jpa s LYS 75 Ca 0.49 -0.59 0.09 0.00 0.02 0.00 0.00 55.97 55.98 2jpa s LYS 75 Cb -0.39 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 2jpa s LYS 75 CO 0.51 0.32 -0.16 -0.06 -0.92 0.00 0.00 175.35 175.04 2jpa s PHE 76 N 0.10 1.90 -1.00 3.18 0.08 0.70 -4.97 117.98 117.97 2jpa s PHE 76 Ca -0.03 -0.50 0.11 0.00 0.12 0.00 0.00 56.93 56.63 2jpa s PHE 76 Cb -0.14 -0.86 0.30 0.00 -0.57 0.00 0.00 43.02 41.74 2jpa s PHE 76 CO 0.04 0.47 1.23 -1.13 -0.10 0.00 0.00 175.22 175.73 2jpa n SER 77 N -0.46 2.88 -3.68 1.36 3.41 -1.26 -1.32 113.62 114.55 2jpa n SER 77 Ca -0.07 -1.96 -0.15 0.00 -0.26 0.00 0.00 58.87 56.43 2jpa n SER 77 Cb 0.60 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 2jpa n SER 77 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jpa s ARG 78 N -1.00 0.08 0.52 4.33 3.52 -1.26 -4.96 118.95 120.18 2jpa s ARG 78 Ca 0.23 0.59 0.18 0.00 -0.13 0.00 0.00 55.73 56.60 2jpa s ARG 78 Cb 0.12 -0.20 1.32 0.00 -1.56 0.00 0.00 34.95 34.64 2jpa s ARG 78 CO 0.16 -0.28 2.15 1.03 -0.81 0.00 0.00 175.30 177.55 2jpa h SER 79 N 8.19 0.00 -0.76 -2.12 0.87 -1.97 -1.21 113.55 116.55 2jpa h SER 79 Ca -0.17 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 2jpa h SER 79 Cb 1.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 2jpa h SER 79 CO 0.18 0.01 0.27 -0.78 -0.53 0.00 0.00 176.83 175.98 2jpa h ASP 80 N 0.00 1.08 0.12 6.23 3.58 -1.98 0.14 116.42 125.58 2jpa h ASP 80 Ca -0.00 -0.19 -0.24 0.00 0.42 0.00 0.00 57.03 57.02 2jpa h ASP 80 Cb 0.02 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 40.80 2jpa h ASP 80 CO 0.00 0.98 -0.94 0.45 -2.88 0.00 0.00 179.24 176.86 2jpa h HIS 81 N 1.12 0.86 -0.17 0.28 3.86 -1.72 -1.27 115.15 118.10 2jpa h HIS 81 Ca 0.25 -0.44 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 2jpa h HIS 81 Cb 0.27 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2jpa h HIS 81 CO 0.02 1.27 0.02 1.25 0.86 0.00 0.00 177.93 181.35 2jpa h LEU 82 N 0.35 0.28 -0.69 2.43 6.46 -1.08 0.35 115.31 123.41 2jpa h LEU 82 Ca -0.09 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.36 2jpa h LEU 82 Cb 1.58 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.40 2jpa h LEU 82 CO 0.18 0.49 0.34 0.50 -0.62 0.00 0.00 178.44 179.33 2jpa h LYS 83 N 0.06 0.99 -0.06 1.25 3.64 -0.80 0.43 116.57 122.08 2jpa h LYS 83 Ca 0.05 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2jpa h LYS 83 Cb 0.34 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2jpa h LYS 83 CO 0.01 0.78 0.03 1.15 -2.27 0.00 0.00 179.45 179.14 2jpa h THR 84 N 0.96 1.00 -0.67 1.00 2.02 -1.09 -1.96 112.91 114.17 2jpa h THR 84 Ca 0.24 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.34 2jpa h THR 84 Cb 0.11 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2jpa h THR 84 CO -0.03 0.01 0.20 -0.74 0.37 0.00 0.00 175.52 175.34 2jpa h HIS 85 N 0.07 1.06 -0.89 3.16 -0.00 -0.03 -1.13 115.15 117.40 2jpa h HIS 85 Ca 0.02 -0.10 0.10 0.00 -0.00 0.00 0.00 60.37 60.40 2jpa h HIS 85 Cb -0.00 -0.31 -0.08 0.00 -0.00 0.00 0.00 27.41 27.02 2jpa h HIS 85 CO -0.08 0.85 0.53 1.15 -0.00 0.00 0.00 177.93 180.38 2jpa h THR 86 N 0.99 0.91 0.00 6.26 2.02 0.15 0.25 112.91 123.49 2jpa h THR 86 Ca 0.22 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2jpa h THR 86 Cb 0.29 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2jpa h THR 86 CO -0.01 0.16 -0.14 0.03 0.37 0.00 0.00 175.52 175.93 2jpa h ARG 87 N 0.87 0.00 -0.22 6.66 3.08 -0.43 0.68 114.38 125.03 2jpa h ARG 87 Ca 0.44 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.37 2jpa h ARG 87 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2jpa h ARG 87 CO -0.25 0.14 -0.37 1.79 -1.07 0.00 0.00 179.97 180.20 2jpa h THR 88 N 0.00 1.30 0.00 2.04 1.35 -0.65 -0.89 112.91 116.06 2jpa h THR 88 Ca -0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2jpa h THR 88 Cb 0.57 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2jpa h THR 88 CO 0.02 0.47 -0.12 0.45 -0.25 0.00 0.00 175.52 176.08 2jpa h HIS 89 N 0.41 0.00 -0.01 4.73 3.86 -0.75 -3.17 115.15 120.21 2jpa h HIS 89 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2jpa h HIS 89 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2jpa h HIS 89 CO 0.03 0.00 -0.36 2.41 0.86 0.00 0.00 177.93 180.87 2jpa n THR 90 N -2.92 0.00 -1.16 2.45 -1.04 0.09 -4.94 114.28 106.75 2jpa n THR 90 Ca 0.04 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.05 61.88 2jpa n THR 90 Cb 0.52 0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 69.49 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 0.72 3.57 3.41 0.00 -0.52 -4.95 105.19 108.80 2jpa n GLY 91 Ca 0.10 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.03 3.44 -0.60 1.61 2.12 -0.45 -4.95 118.70 117.84 2jpa s GLU 92 Ca 0.00 0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.48 2jpa s GLU 92 Cb 0.00 -4.04 0.16 0.00 0.26 0.00 0.00 34.13 30.51 2jpa s GLU 92 CO 0.00 -1.72 0.41 0.15 -0.54 0.00 0.00 175.26 173.57 2jpa s LYS 93 N 4.91 1.95 0.14 4.30 1.02 -1.26 -4.39 119.74 126.42 2jpa s LYS 93 Ca 0.40 -2.87 0.25 0.00 0.02 0.00 0.00 55.97 53.77 2jpa s LYS 93 Cb -0.08 -2.85 0.49 0.00 -0.52 0.00 0.00 37.83 34.86 2jpa s LYS 93 CO 0.23 -1.28 1.46 -0.35 -0.92 0.00 0.00 175.35 174.49 2jpa n PRO 94 N 2.42 0.28 -2.53 -1.68 -0.04 -0.98 -4.32 135.00 128.14 2jpa n PRO 94 Ca 0.20 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 2jpa n PRO 94 Cb 0.38 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2jpa n PRO 94 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jpa n PHE 95 N -2.14 4.40 -2.74 0.54 3.72 -0.26 -4.90 117.46 116.09 2jpa n PHE 95 Ca 0.04 -3.01 -0.36 0.00 -0.05 0.00 0.00 57.45 54.07 2jpa n PHE 95 Cb 0.43 -2.42 -0.06 0.00 -0.94 0.00 0.00 39.48 36.49 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 3.29 7.17 0.68 4.37 0.15 -1.26 -0.96 113.70 127.13 2jpa s SER 96 Ca 0.48 1.85 -0.14 0.00 0.70 0.00 0.00 55.95 58.84 2jpa s SER 96 Cb 0.04 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2jpa s SER 96 CO 0.02 -0.20 1.10 0.00 1.20 0.00 0.00 173.24 175.37 2jpa n ARG 98 N -2.63 0.71 -1.80 0.00 5.12 -1.26 -4.53 116.66 112.27 2jpa n ARG 98 Ca 0.10 -0.82 -0.37 0.00 -1.93 0.00 0.00 57.85 54.84 2jpa n ARG 98 Cb 0.52 -0.89 0.06 0.00 -1.16 0.00 0.00 32.46 30.99 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 -0.37 2.16 -0.67 -1.55 0.52 -1.26 -4.86 118.94 112.90 2jpa s TRP 99 Ca 0.00 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.62 2jpa s TRP 99 Cb 0.00 -3.63 0.00 0.00 -1.15 0.00 0.00 33.47 28.69 2jpa s TRP 99 CO 0.00 -2.72 0.43 -0.35 0.02 0.00 0.00 176.95 174.33 2jpa n PRO 100 N -1.86 0.65 -0.62 4.98 -0.04 -1.26 -2.19 135.00 134.65 2jpa n PRO 100 Ca 0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.59 2jpa n PRO 100 Cb 0.49 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.34 -0.29 -4.10 3.54 7.64 -1.26 -5.15 113.62 114.34 2jpa n SER 101 Ca 0.00 -1.21 -0.11 0.00 1.01 0.00 0.00 58.87 58.56 2jpa n SER 101 Cb 0.21 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.27 0.00 -2.18 0.00 -0.06 -1.26 -4.49 117.38 109.13 2jpa n GLN 103 Ca -0.01 -0.74 -0.39 0.00 -2.00 0.00 0.00 57.00 53.86 2jpa n GLN 103 Cb 0.64 0.48 -0.01 0.00 -4.06 0.00 0.00 30.24 27.29 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2jpa s LYS 104 N 0.00 3.98 -0.06 3.69 -0.14 -1.26 -4.58 119.74 121.37 2jpa s LYS 104 Ca 0.00 1.98 0.04 0.00 -1.36 0.00 0.00 55.97 56.64 2jpa s LYS 104 Cb 0.00 -2.69 -0.00 0.00 -1.68 0.00 0.00 37.83 33.46 2jpa s LYS 104 CO 0.00 -0.43 -0.20 0.15 -0.76 0.00 0.00 175.35 174.11 2jpa s LYS 105 N -2.30 2.17 0.32 1.68 1.02 -1.26 0.12 119.74 121.49 2jpa s LYS 105 Ca 0.58 -0.71 0.09 0.00 0.02 0.00 0.00 55.97 55.95 2jpa s LYS 105 Cb -0.34 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 2jpa s LYS 105 CO 0.43 0.24 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.95 2jpa s PHE 106 N 0.11 2.26 -2.32 3.18 0.08 -0.13 -4.94 117.98 116.22 2jpa s PHE 106 Ca -0.07 -0.54 0.23 0.00 0.12 0.00 0.00 56.93 56.66 2jpa s PHE 106 Cb -0.14 -1.27 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 2jpa s PHE 106 CO 0.04 0.51 1.14 0.00 -0.10 0.00 0.00 175.22 176.80 2jpa n ALA 107 N -0.71 3.25 -2.63 5.36 0.00 -1.26 -1.10 120.51 123.42 2jpa n ALA 107 Ca -0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 2jpa n ALA 107 Cb 0.63 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.34 1.01 0.14 0.00 0.52 -1.26 -4.87 118.95 112.15 2jpa s ARG 108 Ca 0.21 -0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 54.81 2jpa s ARG 108 Cb 0.19 -0.97 0.03 0.00 0.52 0.00 0.00 34.95 34.71 2jpa s ARG 108 CO 0.49 0.26 1.74 0.66 0.02 0.00 0.00 175.30 178.48 2jpa h SER 109 N 5.87 0.08 -0.11 0.23 4.64 -1.96 -1.59 113.55 120.71 2jpa h SER 109 Ca -0.33 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 2jpa h SER 109 Cb 1.17 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2jpa h SER 109 CO 0.49 0.08 -0.08 -2.24 -0.87 0.00 0.00 176.83 174.21 2jpa h ASP 110 N 0.22 0.38 -0.68 4.97 2.03 -1.98 0.10 116.42 121.47 2jpa h ASP 110 Ca 0.14 -0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2jpa h ASP 110 Cb 0.12 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.48 2jpa h ASP 110 CO -0.15 0.51 0.42 -0.33 -1.03 0.00 0.00 179.24 178.66 2jpa h GLU 111 N 0.39 0.91 -0.55 4.15 5.08 -1.80 0.16 114.58 122.91 2jpa h GLU 111 Ca 0.08 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2jpa h GLU 111 Cb 0.39 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2jpa h GLU 111 CO 0.02 0.63 -0.07 1.25 -1.00 0.00 0.00 179.01 179.84 2jpa h LEU 112 N 0.92 1.02 -0.33 1.33 5.85 -0.48 0.38 115.31 123.99 2jpa h LEU 112 Ca 0.24 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2jpa h LEU 112 Cb -0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 2jpa h LEU 112 CO -0.05 1.11 0.16 0.58 -0.34 0.00 0.00 178.44 179.90 2jpa h VAL 113 N 0.91 0.97 -0.31 1.05 2.07 -0.45 0.14 116.25 120.63 2jpa h VAL 113 Ca 0.15 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2jpa h VAL 113 Cb 0.63 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2jpa h VAL 113 CO 0.04 0.06 0.19 -0.09 0.02 0.00 0.00 177.57 177.79 2jpa h ARG 114 N 0.33 0.42 -0.35 1.57 2.43 -0.54 -1.95 114.38 116.29 2jpa h ARG 114 Ca 0.14 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2jpa h ARG 114 Cb 0.06 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2jpa h ARG 114 CO -0.10 0.33 0.15 1.25 -1.51 0.00 0.00 179.97 180.08 2jpa h HIS 115 N 0.40 0.27 -0.58 2.20 2.76 -0.50 -0.16 115.15 119.54 2jpa h HIS 115 Ca 0.11 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.39 2jpa h HIS 115 Cb 0.01 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 2jpa h HIS 115 CO -0.04 0.13 0.39 0.45 -1.30 0.00 0.00 177.93 177.56 2jpa h HIS 116 N 0.31 0.43 0.00 5.26 3.86 -0.52 0.74 115.15 125.23 2jpa h HIS 116 Ca 0.15 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2jpa h HIS 116 Cb 0.10 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2jpa h HIS 116 CO -0.12 0.21 0.00 -0.97 0.86 0.00 0.00 177.93 177.91 2jpa h ASN 117 N 0.41 0.00 1.70 2.45 -0.00 -0.23 -1.17 115.58 118.74 2jpa h ASN 117 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.56 2jpa h ASN 117 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 2jpa h ASN 117 CO -0.07 0.00 -0.09 0.24 -0.00 0.00 0.00 177.43 177.51 2jpa h MET 118 N 0.00 0.00 -0.01 6.67 2.86 -0.63 -3.51 114.93 120.31 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 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2jpa h MET 118 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69