#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jva s LEU 2 N 0.00 3.87 -0.47 -0.89 2.96 0.11 -4.88 118.68 119.38 2jva s LEU 2 Ca 0.00 -0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 52.85 2jva s LEU 2 Cb 0.00 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2jva s LEU 2 CO 0.00 -1.60 0.92 -0.69 -1.32 0.00 0.00 176.35 173.66 2jva s VAL 3 N 4.75 4.47 -0.14 1.68 1.01 -1.26 -0.41 120.40 130.51 2jva s VAL 3 Ca 0.28 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 2jva s VAL 3 Cb -0.12 -4.44 -0.25 0.00 0.00 0.00 0.00 36.38 31.57 2jva s VAL 3 CO 0.11 -0.85 0.31 -0.38 0.00 0.00 0.00 175.10 174.29 2jva n ILE 4 N 6.40 1.74 -3.66 2.22 5.41 -1.02 -5.03 119.36 125.42 2jva n ILE 4 Ca 0.06 -0.59 -0.07 0.00 1.00 0.00 0.00 62.75 63.15 2jva n ILE 4 Cb 0.48 -1.75 -0.00 0.00 -0.71 0.00 0.00 39.64 37.67 2jva n ILE 4 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2jva n SER 5 N -3.57 -1.01 -0.14 4.38 2.88 -1.04 -5.00 113.62 110.12 2jva n SER 5 Ca -0.33 -1.99 -0.11 0.00 -1.33 0.00 0.00 58.87 55.11 2jva n SER 5 Cb 1.01 1.76 -0.01 0.00 -0.75 0.00 0.00 64.21 66.22 2jva n SER 5 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jva h ASN 6 N 1.11 0.74 -0.63 -3.46 4.21 -2.03 -2.95 115.58 112.58 2jva h ASN 6 Ca -0.17 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.00 2jva h ASN 6 Cb 0.68 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2jva h ASN 6 CO 0.22 0.91 0.00 -3.20 -1.29 0.00 0.00 177.43 174.07 2jva n ASN 7 N -4.38 3.82 -3.93 5.81 2.85 -1.26 -4.85 115.26 113.32 2jva n ASN 7 Ca -0.01 -2.00 -0.28 0.00 -0.11 0.00 0.00 54.58 52.18 2jva n ASN 7 Cb 0.33 -0.42 -0.17 0.00 1.24 0.00 0.00 39.78 40.76 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jva s VAL 8 N -1.16 1.21 -0.01 3.44 1.01 -1.12 -5.03 120.40 118.75 2jva s VAL 8 Ca 0.46 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2jva s VAL 8 Cb 0.25 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 2jva s VAL 8 CO 0.33 0.30 -0.06 -1.00 0.00 0.00 0.00 175.10 174.68 2jva s HIS 9 N 1.62 0.52 -0.23 5.22 3.76 -1.26 -2.43 115.29 122.49 2jva s HIS 9 Ca 0.03 -0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2jva s HIS 9 Cb -0.14 -0.34 0.03 0.00 1.11 0.00 0.00 32.58 33.24 2jva s HIS 9 CO -0.09 -0.01 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.17 2jva s LEU 10 N -0.11 2.86 0.47 0.89 1.43 0.46 -4.84 118.68 119.85 2jva s LEU 10 Ca 0.02 -0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 2jva s LEU 10 Cb -0.03 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.53 2jva s LEU 10 CO -0.00 -0.09 1.28 -2.84 0.23 0.00 0.00 176.35 174.93 2jva s PRO 11 N 1.30 3.64 0.31 1.29 0.02 -1.26 0.09 135.00 140.38 2jva s PRO 11 Ca 0.01 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2jva s PRO 11 Cb -0.16 -2.49 0.52 0.00 0.02 0.00 0.00 34.50 32.39 2jva s PRO 11 CO -0.07 -0.73 1.94 -0.44 -0.33 0.00 0.00 177.00 177.36 2jva h ASP 12 N 2.09 0.90 -0.09 2.53 5.19 -1.94 -2.20 116.42 122.91 2jva h ASP 12 Ca -0.50 -0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.93 2jva h ASP 12 Cb 1.26 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 2jva h ASP 12 CO 0.60 0.61 0.07 0.00 -3.12 0.00 0.00 179.24 177.40 2jva h ALA 13 N 1.51 1.87 -0.00 3.45 0.00 -2.04 -1.20 119.26 122.86 2jva h ALA 13 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2jva h ALA 13 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jva h ALA 13 CO -0.11 -0.12 -0.04 0.39 0.00 0.00 0.00 179.25 179.36 2jva n GLU 14 N -4.18 0.93 -4.02 0.00 1.02 -0.83 -4.63 120.64 108.93 2jva n GLU 14 Ca -0.01 -0.25 -0.34 0.00 -0.02 0.00 0.00 57.16 56.54 2jva n GLU 14 Cb 0.18 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.96 2jva n GLU 14 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jva s ILE 15 N -2.25 2.56 -0.34 -3.67 1.01 -0.45 -4.57 121.20 113.49 2jva s ILE 15 Ca 0.37 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 2jva s ILE 15 Cb 0.21 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.40 2jva s ILE 15 CO 0.41 0.23 0.94 -0.70 0.00 0.00 0.00 174.94 175.83 2jva s GLU 16 N 1.27 3.95 -0.36 2.79 2.12 -0.47 -4.94 118.70 123.06 2jva s GLU 16 Ca -0.01 0.75 -0.07 0.00 0.36 0.00 0.00 54.97 56.00 2jva s GLU 16 Cb -0.16 -3.76 0.05 0.00 0.26 0.00 0.00 34.13 30.51 2jva s GLU 16 CO -0.06 -0.87 0.14 -0.51 -0.54 0.00 0.00 175.26 173.42 2jva s LEU 17 N 3.41 4.54 0.16 2.70 2.01 -1.26 -2.60 118.68 127.64 2jva s LEU 17 Ca 0.39 -1.27 0.07 0.00 0.01 0.00 0.00 54.13 53.34 2jva s LEU 17 Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 2jva s LEU 17 CO 0.16 -0.38 -0.16 0.42 1.01 0.00 0.00 176.35 177.40 2jva s THR 18 N 1.39 1.65 -0.10 5.49 -4.23 -0.05 -4.98 115.64 114.81 2jva s THR 18 Ca -0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2jva s THR 18 Cb -0.20 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2jva s THR 18 CO 0.02 -0.43 -0.07 0.00 -0.54 0.00 0.00 174.62 173.60 2jva s ALA 19 N -2.37 2.94 -0.33 3.99 0.00 -1.26 0.55 121.76 125.28 2jva s ALA 19 Ca 0.16 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 2jva s ALA 19 Cb -0.04 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2jva s ALA 19 CO 0.06 0.42 0.13 0.42 0.00 0.00 0.00 175.76 176.79 2jva s ILE 20 N -0.31 4.22 -0.17 0.00 1.01 0.13 -4.91 121.20 121.16 2jva s ILE 20 Ca 0.04 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 2jva s ILE 20 Cb -0.13 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2jva s ILE 20 CO 0.02 -0.05 0.82 -0.60 0.00 0.00 0.00 174.94 175.13 2jva s ARG 21 N 1.52 4.29 0.08 2.79 3.52 -1.26 -4.30 118.95 125.59 2jva s ARG 21 Ca 0.02 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.62 2jva s ARG 21 Cb -0.18 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2jva s ARG 21 CO 0.04 -0.33 0.11 0.00 -0.81 0.00 0.00 175.30 174.32 2jva n ALA 22 N 5.25 0.13 -1.94 6.12 0.00 -1.26 -5.01 120.51 123.80 2jva n ALA 22 Ca 0.04 -0.27 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 2jva n ALA 22 Cb 0.49 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2jva n ALA 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jva s GLN 23 N -2.45 4.44 0.00 0.00 1.11 -1.26 -4.82 119.66 116.68 2jva s GLN 23 Ca 0.08 2.01 0.00 0.00 0.01 0.00 0.00 55.36 57.46 2jva s GLN 23 Cb -0.01 -3.18 0.00 0.00 -1.01 0.00 0.00 33.01 28.81 2jva s GLN 23 CO 0.05 -0.15 0.00 0.41 0.01 0.00 0.00 175.29 175.62 2jva n GLY 24 N 1.91 -0.21 3.71 3.09 0.00 -1.26 -5.05 105.19 107.38 2jva n GLY 24 Ca 0.04 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 2jva n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jva n ALA 25 N -0.27 -1.47 -1.23 4.61 0.00 -0.47 -4.99 120.51 116.69 2jva n ALA 25 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2jva n ALA 25 Cb 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 19.45 15.08 2jva n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jva n GLY 26 N -1.75 1.03 0.33 0.00 0.00 -0.53 -4.93 105.19 99.35 2jva n GLY 26 Ca -0.05 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 2jva n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jva h GLY 27 N 0.00 -0.81 -0.16 -0.02 0.00 -1.95 -3.37 103.07 96.76 2jva h GLY 27 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2jva h GLY 27 CO 0.00 -0.30 -0.08 -0.18 0.00 0.00 0.00 176.54 175.98 2jva n GLN 28 N -5.43 0.51 -2.73 4.80 7.27 -1.26 -5.03 117.38 115.50 2jva n GLN 28 Ca -0.12 -0.81 -0.42 0.00 0.07 0.00 0.00 57.00 55.71 2jva n GLN 28 Cb 0.33 -0.62 -0.03 0.00 2.41 0.00 0.00 30.24 32.33 2jva n GLN 28 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2jva s ASN 29 N -0.42 6.19 -0.11 1.69 -0.87 -1.26 -4.52 114.94 115.64 2jva s ASN 29 Ca 0.01 -0.69 -0.08 0.00 -1.57 0.00 0.00 52.86 50.53 2jva s ASN 29 Cb 0.01 -2.48 0.03 0.00 -0.02 0.00 0.00 41.25 38.79 2jva s ASN 29 CO 0.00 -1.57 0.16 0.52 -2.57 0.00 0.00 177.10 173.64 2jva n VAL 30 N 6.15-10.63 -0.61 1.60 0.31 -1.26 -1.37 118.33 112.51 2jva n VAL 30 Ca -0.00 2.19 0.10 0.00 -0.01 0.00 0.00 64.34 66.62 2jva n VAL 30 Cb 0.47 -5.76 0.35 0.00 -0.91 0.00 0.00 33.84 28.00 2jva n VAL 30 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2jva n ASN 31 N 1.32 4.67 -4.00 4.52 5.15 -1.26 -2.83 115.26 122.83 2jva n ASN 31 Ca -0.27 -2.42 -0.13 0.00 -0.60 0.00 0.00 54.58 51.16 2jva n ASN 31 Cb 0.42 -0.57 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 2jva n ASN 31 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2jva s LYS 32 N -1.79 0.41 0.35 1.20 2.20 -1.26 -5.09 119.74 115.76 2jva s LYS 32 Ca 0.50 -0.50 -0.28 0.00 -0.36 0.00 0.00 55.97 55.33 2jva s LYS 32 Cb 0.32 -0.23 -0.10 0.00 -1.51 0.00 0.00 37.83 36.32 2jva s LYS 32 CO 0.25 0.04 1.30 0.54 -0.36 0.00 0.00 175.35 177.12 2jva s VAL 33 N -0.92 2.72 0.33 4.02 0.11 -1.26 -4.88 120.40 120.51 2jva s VAL 33 Ca -0.07 0.70 -0.29 0.00 -2.93 0.00 0.00 61.98 59.39 2jva s VAL 33 Cb -0.07 -3.44 -0.12 0.00 -1.53 0.00 0.00 36.38 31.23 2jva s VAL 33 CO -0.00 0.15 1.46 -1.20 -3.33 0.00 0.00 175.10 172.18 2jva n SER 34 N 0.61 3.44 -0.62 3.54 7.64 -1.26 -4.86 113.62 122.11 2jva n SER 34 Ca 0.01 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2jva n SER 34 Cb 0.42 -1.56 0.02 0.00 -1.01 0.00 0.00 64.21 62.09 2jva n SER 34 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jva n SER 35 N 1.26 1.42 -4.58 6.43 3.41 -1.26 -4.70 113.62 115.60 2jva n SER 35 Ca 0.06 -2.06 -0.43 0.00 -0.26 0.00 0.00 58.87 56.18 2jva n SER 35 Cb 0.37 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jva s ALA 36 N -1.04 3.23 0.12 7.33 0.00 -1.25 -4.29 121.76 125.86 2jva s ALA 36 Ca 0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 2jva s ALA 36 Cb 0.03 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 2jva s ALA 36 CO 0.01 -2.07 0.32 -1.64 0.00 0.00 0.00 175.76 172.39 2jva s MET 37 N 3.93 3.55 -0.05 0.00 -1.94 0.94 0.17 119.30 125.89 2jva s MET 37 Ca 0.40 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 54.20 2jva s MET 37 Cb -0.09 -2.91 -0.01 0.00 2.01 0.00 0.00 34.83 33.83 2jva s MET 37 CO 0.27 0.50 -0.22 -1.58 -0.01 0.00 0.00 175.02 173.98 2jva s HIS 38 N -1.64 2.15 0.03 -0.03 2.46 0.19 -0.38 115.29 118.07 2jva s HIS 38 Ca 0.39 -0.61 0.07 0.00 0.47 0.00 0.00 55.06 55.38 2jva s HIS 38 Cb -0.12 -1.42 -0.02 0.00 -0.13 0.00 0.00 32.58 30.89 2jva s HIS 38 CO 0.26 -0.18 -0.22 -0.51 -2.47 0.00 0.00 174.74 171.62 2jva s LEU 39 N -0.13 2.14 -0.04 8.88 1.02 0.33 -0.87 118.68 130.01 2jva s LEU 39 Ca -0.02 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.63 2jva s LEU 39 Cb -0.12 -1.05 0.02 0.00 0.02 0.00 0.00 46.19 45.06 2jva s LEU 39 CO 0.03 0.20 -0.02 -0.60 0.02 0.00 0.00 176.35 175.98 2jva s ARG 40 N -1.03 0.59 -0.27 1.70 6.06 -1.07 -0.93 118.95 123.99 2jva s ARG 40 Ca 0.08 0.00 -0.02 0.00 -2.50 0.00 0.00 55.73 53.29 2jva s ARG 40 Cb -0.09 -0.73 0.11 0.00 0.06 0.00 0.00 34.95 34.30 2jva s ARG 40 CO 0.01 -0.14 0.22 0.12 -2.50 0.00 0.00 175.30 173.01 2jva s PHE 41 N 1.16 -0.16 -0.60 5.12 5.36 0.37 -1.37 117.98 127.85 2jva s PHE 41 Ca -0.08 -0.34 -0.27 0.00 -0.96 0.00 0.00 56.93 55.28 2jva s PHE 41 Cb -0.14 -0.59 0.01 0.00 -0.34 0.00 0.00 43.02 41.96 2jva s PHE 41 CO -0.02 -0.83 1.47 -0.51 -1.46 0.00 0.00 175.22 173.88 2jva s ASP 42 N 2.27 5.99 0.17 6.13 1.11 -1.26 -0.09 116.67 130.98 2jva s ASP 42 Ca 0.09 0.16 -0.14 0.00 0.18 0.00 0.00 52.55 52.84 2jva s ASP 42 Cb -0.15 -2.55 0.09 0.00 1.07 0.00 0.00 42.92 41.39 2jva s ASP 42 CO -0.30 -1.85 1.82 0.40 1.18 0.00 0.00 175.17 176.42 2jva h ILE 43 N 6.40 1.07 -0.55 0.77 2.04 -1.17 -1.50 117.51 124.56 2jva h ILE 43 Ca -0.27 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.41 2jva h ILE 43 Cb 1.10 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2jva h ILE 43 CO 1.20 0.11 0.31 -1.13 0.00 0.00 0.00 178.15 178.64 2jva h ASN 44 N 0.62 0.47 -0.71 1.72 -0.73 -1.61 -2.99 115.58 112.35 2jva h ASN 44 Ca 0.20 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.39 2jva h ASN 44 Cb 0.00 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.51 2jva h ASN 44 CO -0.08 0.32 0.00 0.00 -0.37 0.00 0.00 177.43 177.30 2jva n ALA 45 N -2.31 2.60 -1.98 1.57 0.00 -1.06 -4.95 120.51 114.38 2jva n ALA 45 Ca 0.05 -1.37 -0.23 0.00 0.00 0.00 0.00 53.44 51.88 2jva n ALA 45 Cb 0.11 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 18.69 2jva n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jva s SER 46 N -0.97 4.50 -0.05 0.00 1.04 -0.59 -4.98 113.70 112.66 2jva s SER 46 Ca 0.50 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.74 2jva s SER 46 Cb 0.28 -0.23 0.23 0.00 0.10 0.00 0.00 66.02 66.39 2jva s SER 46 CO 0.31 -1.75 0.98 -1.20 0.98 0.00 0.00 173.24 172.56 2jva n SER 47 N -2.78 1.98 -4.77 7.02 7.64 -1.26 -4.91 113.62 116.54 2jva n SER 47 Ca 0.13 -2.18 -0.39 0.00 1.01 0.00 0.00 58.87 57.45 2jva n SER 47 Cb 0.60 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 2jva n SER 47 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jva s LEU 48 N -0.89 4.20 0.56 -3.43 1.43 -1.26 -4.86 118.68 114.42 2jva s LEU 48 Ca 0.16 2.46 -0.21 0.00 -1.03 0.00 0.00 54.13 55.52 2jva s LEU 48 Cb 0.11 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 2jva s LEU 48 CO 0.07 -0.75 1.27 -2.84 0.23 0.00 0.00 176.35 174.32 2jva s PRO 49 N -2.27 3.14 0.30 1.29 0.02 -1.26 -4.85 135.00 131.37 2jva s PRO 49 Ca 0.57 2.00 0.05 0.00 0.02 0.00 0.00 61.00 63.64 2jva s PRO 49 Cb -0.34 -2.14 0.71 0.00 0.02 0.00 0.00 34.50 32.76 2jva s PRO 49 CO 0.42 -1.11 1.80 -1.35 -0.33 0.00 0.00 177.00 176.43 2jva h PRO 50 N 1.29 0.78 -0.49 5.54 0.11 -1.99 -1.82 132.00 135.42 2jva h PRO 50 Ca -0.50 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jva h PRO 50 Cb 1.29 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2jva h PRO 50 CO 0.57 0.52 0.29 0.35 -0.21 0.00 0.00 178.00 179.51 2jva h PHE 51 N 0.81 0.53 -0.44 0.65 3.57 -1.99 0.21 116.94 120.27 2jva h PHE 51 Ca 0.55 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 2jva h PHE 51 Cb 0.80 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2jva h PHE 51 CO -0.00 0.30 0.25 1.88 -2.23 0.00 0.00 178.31 178.51 2jva h TYR 52 N 0.57 0.60 -0.50 0.41 -1.99 -1.72 -2.67 116.97 111.67 2jva h TYR 52 Ca 0.20 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 2jva h TYR 52 Cb 0.03 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 2jva h TYR 52 CO -0.07 0.45 0.06 0.87 -0.00 0.00 0.00 178.16 179.47 2jva h LYS 53 N 0.58 0.80 0.50 4.88 1.57 -1.02 -2.77 116.57 121.11 2jva h LYS 53 Ca 0.16 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2jva h LYS 53 Cb 0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2jva h LYS 53 CO -0.03 0.76 -0.30 1.49 -0.57 0.00 0.00 179.45 180.80 2jva h GLU 54 N 0.76 -0.73 -0.57 3.15 4.81 -0.28 0.40 114.58 122.13 2jva h GLU 54 Ca 0.16 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2jva h GLU 54 Cb 0.37 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2jva h GLU 54 CO 0.01 -0.49 0.38 0.00 -0.73 0.00 0.00 179.01 178.18 2jva h ARG 55 N -0.76 0.59 -0.07 1.92 3.08 -1.46 -1.18 114.38 116.50 2jva h ARG 55 Ca -0.06 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 2jva h ARG 55 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2jva h ARG 55 CO 0.06 0.39 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.01 2jva h LEU 56 N 0.60 0.35 -2.26 3.04 3.38 -1.17 -2.29 115.31 116.96 2jva h LEU 56 Ca 0.24 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2jva h LEU 56 Cb 0.18 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jva h LEU 56 CO -0.07 0.93 -0.04 -0.07 0.09 0.00 0.00 178.44 179.29 2jva h LEU 57 N -0.21 0.00 -3.07 1.67 3.38 0.36 -2.03 115.31 115.41 2jva h LEU 57 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2jva h LEU 57 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2jva h LEU 57 CO 0.06 0.04 -0.48 0.00 0.09 0.00 0.00 178.44 178.14 2jva n ALA 58 N -2.16 3.80 -2.42 1.53 0.00 -0.50 -4.83 120.51 115.93 2jva n ALA 58 Ca -0.02 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 49.82 2jva n ALA 58 Cb 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 2jva n ALA 58 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jva s LEU 59 N -3.26 3.96 -0.02 0.00 0.20 -0.77 -2.31 118.68 116.49 2jva s LEU 59 Ca 0.39 0.83 0.05 0.00 0.69 0.00 0.00 54.13 56.09 2jva s LEU 59 Cb 0.38 -3.67 0.18 0.00 -0.43 0.00 0.00 46.19 42.64 2jva s LEU 59 CO -0.06 -0.29 1.02 -3.20 -0.29 0.00 0.00 176.35 173.53 2jva n ASN 60 N -1.20 1.40 -4.79 3.68 5.15 -1.24 -4.54 115.26 113.72 2jva n ASN 60 Ca -0.01 -2.08 -0.39 0.00 -0.60 0.00 0.00 54.58 51.51 2jva n ASN 60 Cb 0.54 -0.27 -0.06 0.00 -0.53 0.00 0.00 39.78 39.46 2jva n ASN 60 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jva s ASP 61 N -0.72 7.29 0.00 1.20 2.15 -1.26 -4.96 116.67 120.37 2jva s ASP 61 Ca 0.13 1.56 0.24 0.00 0.43 0.00 0.00 52.55 54.91 2jva s ASP 61 Cb 0.08 -2.47 0.15 0.00 -0.30 0.00 0.00 42.92 40.38 2jva s ASP 61 CO 0.07 0.19 1.22 -1.20 -0.17 0.00 0.00 175.17 175.28 2jva n SER 62 N 1.46 2.80 0.12 -0.34 7.64 -1.26 -3.93 113.62 120.10 2jva n SER 62 Ca -0.06 -1.90 -0.19 0.00 1.01 0.00 0.00 58.87 57.73 2jva n SER 62 Cb 0.49 0.10 -0.14 0.00 -1.01 0.00 0.00 64.21 63.65 2jva n SER 62 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jva h ARG 63 N 4.23 0.38 -6.18 1.43 2.47 -1.96 -3.42 114.38 111.33 2jva h ARG 63 Ca 0.00 -0.64 -0.57 0.00 -1.26 0.00 0.00 59.98 57.51 2jva h ARG 63 Cb 0.95 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 2jva h ARG 63 CO 0.00 1.30 1.32 0.42 0.56 0.00 0.00 179.97 183.57 2jva s ILE 64 N -2.67 3.27 0.74 2.04 1.01 -1.25 -4.58 121.20 119.76 2jva s ILE 64 Ca -0.06 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 2jva s ILE 64 Cb 0.06 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.26 2jva s ILE 64 CO 0.91 -0.15 1.08 0.42 0.00 0.00 0.00 174.94 177.20 2jva s THR 65 N 6.59 3.48 0.50 2.92 -4.23 -0.92 -4.92 115.64 119.06 2jva s THR 65 Ca 0.87 0.48 0.26 0.00 -1.18 0.00 0.00 61.69 62.12 2jva s THR 65 Cb -0.31 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.54 2jva s THR 65 CO 0.34 -0.63 2.14 0.28 -0.54 0.00 0.00 174.62 176.22 2jva h SER 66 N -0.86 0.00 1.31 3.99 0.02 -1.94 0.15 113.55 116.21 2jva h SER 66 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2jva h SER 66 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2jva h SER 66 CO 0.60 0.07 0.00 -0.78 -1.14 0.00 0.00 176.83 175.58 2jva h ASP 67 N 0.00 0.00 -1.07 3.07 1.82 -2.01 -3.47 116.42 114.76 2jva h ASP 67 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jva h ASP 67 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2jva h ASP 67 CO 0.01 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 2jva n GLY 68 N 0.87 0.62 3.11 -0.78 0.00 0.04 -4.65 105.19 104.40 2jva n GLY 68 Ca 0.04 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2jva n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jva s VAL 69 N -2.38 1.15 -0.19 1.61 1.01 -1.25 -0.55 120.40 119.80 2jva s VAL 69 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2jva s VAL 69 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2jva s VAL 69 CO 0.00 0.33 0.04 -0.63 0.00 0.00 0.00 175.10 174.83 2jva s ILE 70 N -0.30 4.45 -0.06 2.22 -1.09 0.87 -2.16 121.20 125.14 2jva s ILE 70 Ca 0.05 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 2jva s ILE 70 Cb -0.06 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 2jva s ILE 70 CO -0.00 0.45 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.32 2jva s VAL 71 N 0.61 1.28 0.17 2.92 1.01 -1.26 -0.48 120.40 124.66 2jva s VAL 71 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2jva s VAL 71 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2jva s VAL 71 CO 0.02 0.38 -0.09 -0.76 0.00 0.00 0.00 175.10 174.65 2jva s LEU 72 N 0.37 2.46 -0.23 3.92 1.02 -0.11 -4.97 118.68 121.14 2jva s LEU 72 Ca -0.10 -1.06 -0.05 0.00 0.02 0.00 0.00 54.13 52.94 2jva s LEU 72 Cb -0.14 -0.38 0.12 0.00 0.02 0.00 0.00 46.19 45.82 2jva s LEU 72 CO 0.03 -0.35 0.44 -1.59 0.02 0.00 0.00 176.35 174.90 2jva s LYS 73 N -3.76 0.38 -0.20 1.70 -2.85 -1.26 -0.51 119.74 113.24 2jva s LYS 73 Ca 0.20 0.88 -0.03 0.00 -1.00 0.00 0.00 55.97 56.02 2jva s LYS 73 Cb 0.03 0.09 -0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2jva s LYS 73 CO 0.03 -0.44 -0.08 0.00 0.10 0.00 0.00 175.35 174.97 2jva s ALA 74 N 2.64 2.72 -0.04 0.59 0.00 0.48 -4.91 121.76 123.24 2jva s ALA 74 Ca 0.06 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.95 2jva s ALA 74 Cb -0.14 -1.56 0.10 0.00 0.00 0.00 0.00 23.12 21.52 2jva s ALA 74 CO -0.15 -0.33 1.04 0.00 0.00 0.00 0.00 175.76 176.32 2jva n GLN 75 N 4.60 0.46 0.25 0.00 -0.00 -1.26 -0.04 117.38 121.38 2jva n GLN 75 Ca -0.19 -1.53 -0.12 0.00 -0.00 0.00 0.00 57.00 55.17 2jva n GLN 75 Cb 0.51 -0.84 -0.06 0.00 -0.00 0.00 0.00 30.24 29.85 2jva n GLN 75 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2jva h GLN 76 N 0.00 -0.66 -7.57 2.61 4.15 -1.92 -3.46 115.11 108.27 2jva h GLN 76 Ca 0.00 0.04 -0.47 0.00 0.77 0.00 0.00 58.65 59.00 2jva h GLN 76 Cb 1.25 0.15 0.10 0.00 0.21 0.00 0.00 27.48 29.18 2jva h GLN 76 CO 0.00 -0.39 0.38 0.71 -1.93 0.00 0.00 178.83 177.60 2jva s TYR 77 N -4.08 2.94 -0.60 3.99 2.02 -1.26 -4.97 117.35 115.39 2jva s TYR 77 Ca -0.12 0.69 0.25 0.00 -0.37 0.00 0.00 57.07 57.53 2jva s TYR 77 Cb 0.01 -3.45 0.86 0.00 -0.40 0.00 0.00 41.96 38.98 2jva s TYR 77 CO 0.37 -1.72 1.76 0.00 -1.57 0.00 0.00 175.55 174.39 2jva h ARG 78 N -0.98 0.00 -6.80 -0.62 -0.00 -1.94 -3.45 114.38 100.59 2jva h ARG 78 Ca -0.46 0.00 -0.68 0.00 -0.50 0.00 0.00 59.98 58.34 2jva h ARG 78 Cb 1.33 0.00 -0.21 0.00 0.00 0.00 0.00 29.97 31.09 2jva h ARG 78 CO 0.65 0.00 -0.84 0.95 0.00 0.00 0.00 179.97 180.73 2jva s THR 79 N -3.20 2.54 0.27 2.04 -4.23 -1.26 -4.72 115.64 107.09 2jva s THR 79 Ca 0.08 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 2jva s THR 79 Cb 0.11 -2.14 -0.00 0.00 1.34 0.00 0.00 72.50 71.81 2jva s THR 79 CO 0.54 0.13 1.64 1.56 -0.54 0.00 0.00 174.62 177.94 2jva h GLN 80 N 3.91 0.17 0.18 3.99 4.20 -1.86 -2.96 115.11 122.74 2jva h GLN 80 Ca -0.50 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.10 2jva h GLN 80 Cb 1.17 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2jva h GLN 80 CO 0.43 0.65 -0.09 1.49 -0.67 0.00 0.00 178.83 180.64 2jva h GLU 81 N 0.13 -0.24 -0.26 1.46 4.81 -1.95 0.23 114.58 118.77 2jva h GLU 81 Ca 0.00 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2jva h GLU 81 Cb 0.97 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2jva h GLU 81 CO 0.08 -0.07 -0.27 1.96 -0.73 0.00 0.00 179.01 179.99 2jva h GLN 82 N -0.36 0.51 -0.49 1.92 7.50 -1.98 0.17 115.11 122.38 2jva h GLN 82 Ca -0.03 -0.20 -0.09 0.00 0.50 0.00 0.00 58.65 58.84 2jva h GLN 82 Cb 0.28 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 2jva h GLN 82 CO 0.04 0.73 -0.05 -0.91 -1.50 0.00 0.00 178.83 177.15 2jva h ASN 83 N 0.45 0.84 0.16 1.46 2.35 -1.40 -0.95 115.58 118.49 2jva h ASN 83 Ca 0.06 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2jva h ASN 83 Cb 0.70 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2jva h ASN 83 CO 0.05 0.93 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.60 2jva h ARG 84 N 0.79 -0.21 -0.59 0.81 2.43 0.22 -0.71 114.38 117.12 2jva h ARG 84 Ca 0.14 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2jva h ARG 84 Cb 0.54 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2jva h ARG 84 CO 0.03 0.07 0.36 0.00 -1.51 0.00 0.00 179.97 178.92 2jva h ALA 85 N 0.31 0.76 -0.15 2.80 0.00 -0.65 -0.90 119.26 121.43 2jva h ALA 85 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jva h ALA 85 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jva h ALA 85 CO 0.04 0.10 0.06 0.22 0.00 0.00 0.00 179.25 179.67 2jva h ASP 86 N 0.72 0.20 -0.95 0.00 3.58 -1.15 -2.49 116.42 116.33 2jva h ASP 86 Ca 0.24 -0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.58 2jva h ASP 86 Cb 0.01 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2jva h ASP 86 CO -0.10 0.31 0.61 0.00 -2.88 0.00 0.00 179.24 177.18 2jva h ALA 87 N 0.90 1.29 -0.40 -0.78 0.00 -0.79 0.48 119.26 119.97 2jva h ALA 87 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jva h ALA 87 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jva h ALA 87 CO -0.00 0.42 0.14 -0.07 0.00 0.00 0.00 179.25 179.73 2jva h LEU 88 N 1.13 0.58 -0.32 0.00 3.38 -1.02 0.37 115.31 119.43 2jva h LEU 88 Ca 0.40 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2jva h LEU 88 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jva h LEU 88 CO -0.16 0.61 -0.09 0.25 0.09 0.00 0.00 178.44 179.14 2jva h LEU 89 N 0.51 0.63 -0.94 1.67 7.12 -0.96 -2.04 115.31 121.30 2jva h LEU 89 Ca 0.13 -0.37 0.01 0.00 0.13 0.00 0.00 57.88 57.78 2jva h LEU 89 Cb 0.23 -0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 40.14 2jva h LEU 89 CO -0.01 0.86 0.62 -0.09 -0.13 0.00 0.00 178.44 179.69 2jva h ARG 90 N 0.39 1.23 0.10 1.25 2.43 0.17 0.88 114.38 120.84 2jva h ARG 90 Ca 0.08 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2jva h ARG 90 Cb 0.59 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2jva h ARG 90 CO 0.03 0.81 -0.05 1.25 -1.51 0.00 0.00 179.97 180.51 2jva h LEU 91 N 1.26 -0.12 -0.83 3.80 5.85 -0.16 0.02 115.31 125.14 2jva h LEU 91 Ca 0.35 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2jva h LEU 91 Cb -0.14 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2jva h LEU 91 CO -0.08 0.24 0.44 0.77 -0.34 0.00 0.00 178.44 179.47 2jva h SER 92 N -0.49 1.04 -0.47 1.25 4.64 -1.22 0.32 113.55 118.63 2jva h SER 92 Ca -0.01 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2jva h SER 92 Cb 0.40 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2jva h SER 92 CO 0.02 0.85 0.27 -0.08 -0.87 0.00 0.00 176.83 177.02 2jva h GLU 93 N 1.15 0.51 -0.91 4.77 4.22 -0.79 -2.07 114.58 121.48 2jva h GLU 93 Ca 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.68 2jva h GLU 93 Cb 0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2jva h GLU 93 CO -0.04 0.34 0.50 1.25 -2.18 0.00 0.00 179.01 178.88 2jva h LEU 94 N 0.53 1.13 -0.51 1.64 5.85 -0.08 -0.49 115.31 123.37 2jva h LEU 94 Ca 0.19 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2jva h LEU 94 Cb 0.05 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2jva h LEU 94 CO -0.10 0.90 0.30 0.40 -0.34 0.00 0.00 178.44 179.60 2jva h ILE 95 N 1.27 1.05 -0.41 4.05 2.04 -0.49 0.27 117.51 125.29 2jva h ILE 95 Ca 0.32 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2jva h ILE 95 Cb 0.02 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2jva h ILE 95 CO -0.05 0.11 0.14 0.58 0.00 0.00 0.00 178.15 178.93 2jva h VAL 96 N 0.60 1.21 -0.77 1.67 2.07 -0.91 -2.74 116.25 117.39 2jva h VAL 96 Ca 0.20 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jva h VAL 96 Cb 0.02 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2jva h VAL 96 CO -0.09 0.24 0.46 0.78 0.02 0.00 0.00 177.57 178.98 2jva h ASN 97 N 0.52 0.92 -0.23 0.57 2.35 -0.58 -2.53 115.58 116.60 2jva h ASN 97 Ca 0.13 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2jva h ASN 97 Cb 0.24 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2jva h ASN 97 CO -0.01 0.70 0.08 0.00 -1.65 0.00 0.00 177.43 176.55 2jva h ALA 98 N 1.45 1.57 0.00 -0.83 0.00 -0.18 -0.13 119.26 121.15 2jva h ALA 98 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jva h ALA 98 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jva h ALA 98 CO -0.05 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2jva h ALA 99 N 1.66 1.00 0.00 0.00 0.00 -1.28 -3.06 119.26 117.57 2jva h ALA 99 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2jva h ALA 99 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2jva h ALA 99 CO -0.00 0.00 -1.86 1.63 0.00 0.00 0.00 179.25 179.02 2jva n LYS 100 N -2.37 0.65 -2.95 0.00 5.02 -0.19 -4.98 118.16 113.34 2jva n LYS 100 Ca 0.04 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 2jva n LYS 100 Cb 0.35 -1.65 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 2jva n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jva s LEU 101 N -5.39 3.57 -0.25 -0.35 1.43 -0.42 -4.85 118.68 112.42 2jva s LEU 101 Ca -0.06 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2jva s LEU 101 Cb 0.09 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.39 2jva s LEU 101 CO 0.84 -0.82 0.01 1.21 0.23 0.00 0.00 176.35 177.82 2jva n GLU 102 N -2.06 -2.86 -3.72 1.70 4.07 -1.26 -4.93 120.64 111.56 2jva n GLU 102 Ca 0.04 2.38 -0.12 0.00 -0.06 0.00 0.00 57.16 59.40 2jva n GLU 102 Cb 0.59 -4.60 -0.10 0.00 -0.06 0.00 0.00 31.44 27.27 2jva n GLU 102 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2jva s HIS 103 N -1.34 -0.49 -1.51 4.31 -3.43 -1.26 -4.84 115.29 106.72 2jva s HIS 103 Ca 0.00 1.14 0.00 0.00 -0.80 0.00 0.00 55.06 55.40 2jva s HIS 103 Cb -0.00 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2jva s HIS 103 CO 0.64 -0.26 0.00 1.58 -2.00 0.00 0.00 174.74 174.71 2jva n HIS 104 N 3.37 0.00 0.00 0.38 -0.00 -1.26 -4.74 115.22 112.97 2jva n HIS 104 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2jva n HIS 104 Cb 0.56 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 2jva n HIS 104 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jva n HIS 105 N -2.47 0.00 -2.53 1.57 -0.00 -1.26 -5.14 115.22 105.39 2jva n HIS 105 Ca -0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.55 2jva n HIS 105 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.49 2jva n HIS 105 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jva n HIS 106 N -0.76 -3.82 -3.97 1.57 -0.00 -1.26 -5.01 115.22 101.97 2jva n HIS 106 Ca 0.00 2.25 -0.31 0.00 -0.00 0.00 0.00 57.72 59.66 2jva n HIS 106 Cb 0.00 -3.38 -0.15 0.00 -0.00 0.00 0.00 29.99 26.46 2jva n HIS 106 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jva s HIS 107 N -0.52 2.91 -2.80 4.41 5.65 -0.98 -5.00 115.29 118.97 2jva s HIS 107 Ca -0.14 -2.23 0.22 0.00 0.25 0.00 0.00 55.06 53.16 2jva s HIS 107 Cb 0.01 -2.04 0.18 0.00 -1.18 0.00 0.00 32.58 29.54 2jva s HIS 107 CO 0.38 -0.86 1.21 1.58 -0.65 0.00 0.00 174.74 176.40