#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 5.74 -0.46 -0.89 2.96 0.80 -4.91 118.68 121.92 2jva s LEU 2 Ca 0.00 -1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 52.02 2jva s LEU 2 Cb 0.00 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.45 2jva s LEU 2 CO 0.00 -1.00 1.12 -0.69 -1.32 0.00 0.00 176.35 174.45 2jva s VAL 3 N 2.21 4.25 -0.11 1.68 1.01 -1.26 -0.58 120.40 127.60 2jva s VAL 3 Ca 0.08 1.24 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 2jva s VAL 3 Cb -0.26 -4.58 -0.27 0.00 0.00 0.00 0.00 36.38 31.27 2jva s VAL 3 CO 0.05 -0.95 0.47 0.40 0.00 0.00 0.00 175.10 175.06 2jva h ILE 4 N 6.17 0.82 -3.46 2.22 2.04 -1.79 -3.49 117.51 120.02 2jva h ILE 4 Ca -0.23 -2.38 -0.09 0.00 1.00 0.00 0.00 64.86 63.17 2jva h ILE 4 Cb 1.06 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 39.68 2jva h ILE 4 CO 1.11 0.79 0.05 -0.55 0.00 0.00 0.00 178.15 179.55 2jva s SER 5 N -7.08 0.20 0.42 1.72 0.15 -0.98 -4.98 113.70 103.15 2jva s SER 5 Ca -0.21 -1.12 0.09 0.00 0.70 0.00 0.00 55.95 55.41 2jva s SER 5 Cb 0.06 0.72 0.90 0.00 -1.71 0.00 0.00 66.02 65.99 2jva s SER 5 CO 0.77 -1.41 2.03 0.78 1.20 0.00 0.00 173.24 176.61 2jva h ASN 6 N 2.09 0.32 -0.59 5.45 4.21 -2.03 -1.92 115.58 123.11 2jva h ASN 6 Ca -0.28 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2jva h ASN 6 Cb 1.25 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2jva h ASN 6 CO 0.36 0.30 0.00 0.59 -1.29 0.00 0.00 177.43 177.40 2jva n ASN 7 N -4.43 3.59 -3.74 5.81 4.13 -1.26 -4.88 115.26 114.48 2jva n ASN 7 Ca 0.01 -1.99 -0.23 0.00 1.68 0.00 0.00 54.58 54.04 2jva n ASN 7 Cb 0.13 -0.39 -0.17 0.00 -1.54 0.00 0.00 39.78 37.80 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jva s VAL 8 N -1.02 0.27 -0.03 2.41 1.01 -0.72 -4.99 120.40 117.34 2jva s VAL 8 Ca 0.40 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2jva s VAL 8 Cb 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2jva s VAL 8 CO 0.27 0.16 -0.09 -1.00 0.00 0.00 0.00 175.10 174.44 2jva s HIS 9 N 2.01 0.95 -0.40 5.22 3.76 -1.26 -2.02 115.29 123.56 2jva s HIS 9 Ca 0.04 -0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 54.64 2jva s HIS 9 Cb -0.13 -0.68 0.07 0.00 1.11 0.00 0.00 32.58 32.96 2jva s HIS 9 CO -0.05 -0.10 0.21 -0.51 -0.85 0.00 0.00 174.74 173.44 2jva s LEU 10 N 0.17 4.94 0.40 0.89 1.43 0.25 -4.68 118.68 122.08 2jva s LEU 10 Ca -0.03 -1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 51.32 2jva s LEU 10 Cb -0.08 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 2jva s LEU 10 CO 0.00 -0.48 1.36 -2.84 0.23 0.00 0.00 176.35 174.62 2jva s PRO 11 N 1.38 4.00 0.28 1.29 0.02 -1.26 -0.14 135.00 140.57 2jva s PRO 11 Ca 0.02 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.35 2jva s PRO 11 Cb -0.22 -2.83 0.66 0.00 0.02 0.00 0.00 34.50 32.13 2jva s PRO 11 CO 0.01 -0.51 1.75 -0.44 -0.33 0.00 0.00 177.00 177.49 2jva h ASP 12 N 2.78 0.58 0.28 2.53 5.19 -1.93 -1.03 116.42 124.82 2jva h ASP 12 Ca -0.50 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 2jva h ASP 12 Cb 1.25 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 2jva h ASP 12 CO 0.63 0.19 -0.04 0.00 -3.12 0.00 0.00 179.24 176.89 2jva h ALA 13 N 1.63 1.20 -0.14 3.45 0.00 -2.05 -1.91 119.26 121.44 2jva h ALA 13 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2jva h ALA 13 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jva h ALA 13 CO -0.41 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.29 2jva n GLU 14 N -3.43 1.70 -4.30 0.00 1.02 -0.39 -4.70 120.64 110.53 2jva n GLU 14 Ca -0.02 -1.05 -0.33 0.00 -0.02 0.00 0.00 57.16 55.74 2jva n GLU 14 Cb 0.17 -1.40 -0.16 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.82 2.15 -0.42 -3.67 1.01 -0.72 -4.01 121.20 113.71 2jva s ILE 15 Ca 0.33 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 2jva s ILE 15 Cb 0.18 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.79 2jva s ILE 15 CO 0.27 0.54 0.34 -0.70 0.00 0.00 0.00 174.94 175.39 2jva s GLU 16 N 1.13 2.99 -0.25 2.79 2.56 -0.25 -4.98 118.70 122.69 2jva s GLU 16 Ca 0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 54.97 53.83 2jva s GLU 16 Cb -0.14 -4.01 -0.05 0.00 2.00 0.00 0.00 34.13 31.93 2jva s GLU 16 CO -0.09 -0.82 0.19 -0.51 -0.56 0.00 0.00 175.26 173.47 2jva s LEU 17 N 1.76 4.10 0.18 2.70 2.01 -1.26 -0.94 118.68 127.22 2jva s LEU 17 Ca 0.06 0.12 0.08 0.00 0.01 0.00 0.00 54.13 54.40 2jva s LEU 17 Cb -0.20 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.81 2jva s LEU 17 CO 0.10 0.02 -0.16 -0.89 1.01 0.00 0.00 176.35 176.43 2jva s THR 18 N 1.25 1.73 -0.08 5.49 2.01 0.11 -5.02 115.64 121.13 2jva s THR 18 Ca 0.09 -2.06 0.03 0.00 0.31 0.00 0.00 61.69 60.06 2jva s THR 18 Cb -0.14 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 2jva s THR 18 CO 0.06 -0.48 -0.17 0.00 -0.69 0.00 0.00 174.62 173.34 2jva s ALA 19 N -2.56 2.49 -0.51 7.40 0.00 -1.26 0.08 121.76 127.40 2jva s ALA 19 Ca 0.19 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 2jva s ALA 19 Cb -0.03 -0.96 0.09 0.00 0.00 0.00 0.00 23.12 22.22 2jva s ALA 19 CO 0.06 0.41 0.50 0.42 0.00 0.00 0.00 175.76 177.16 2jva s ILE 20 N -0.19 5.11 -0.24 0.00 1.01 0.12 -4.82 121.20 122.19 2jva s ILE 20 Ca -0.01 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 2jva s ILE 20 Cb -0.13 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2jva s ILE 20 CO 0.03 -0.76 0.11 -0.60 0.00 0.00 0.00 174.94 173.72 2jva s ARG 21 N 1.96 3.85 0.24 2.79 3.52 -1.26 -4.03 118.95 126.03 2jva s ARG 21 Ca 0.07 -0.38 -0.19 0.00 -0.13 0.00 0.00 55.73 55.10 2jva s ARG 21 Cb -0.25 -3.41 -0.08 0.00 -1.56 0.00 0.00 34.95 29.65 2jva s ARG 21 CO 0.07 -0.05 0.73 0.00 -0.81 0.00 0.00 175.30 175.24 2jva s ALA 22 N 1.29 3.39 0.16 6.12 0.00 -1.26 -4.98 121.76 126.47 2jva s ALA 22 Ca 0.06 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2jva s ALA 22 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2jva s ALA 22 CO 0.05 0.32 0.21 1.14 0.00 0.00 0.00 175.76 177.48 2jva s GLN 23 N -2.15 3.18 -0.02 0.00 -2.07 -1.26 -4.86 119.66 112.47 2jva s GLN 23 Ca 0.45 -0.73 -0.05 0.00 -1.82 0.00 0.00 55.36 53.21 2jva s GLN 23 Cb -0.16 -2.81 -0.03 0.00 -1.09 0.00 0.00 33.01 28.92 2jva s GLN 23 CO 0.20 0.50 0.39 0.78 -1.32 0.00 0.00 175.29 175.84 2jva h GLY 24 N 2.28 -0.20 -2.51 2.60 0.00 -1.96 -3.47 103.07 99.81 2jva h GLY 24 Ca -0.48 0.07 0.29 0.00 0.00 0.00 0.00 47.33 47.21 2jva h GLY 24 CO 0.66 -0.07 -0.56 0.00 0.00 0.00 0.00 176.54 176.56 2jva n ALA 25 N -2.34 -2.85 -0.95 3.60 0.00 -1.26 -4.28 120.51 112.43 2jva n ALA 25 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2jva n ALA 25 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.70 3.42 2.01 0.00 0.00 -1.26 -1.57 105.19 104.10 2jva n GLY 26 Ca -0.01 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2jva n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jva n GLY 27 N 0.00 5.54 0.85 -0.02 0.00 -1.26 -5.01 105.19 105.29 2jva n GLY 27 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2jva n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jva n GLN 28 N -0.96 -2.10 -3.15 1.61 0.00 -0.61 -5.06 117.38 107.11 2jva n GLN 28 Ca 0.53 1.60 -0.02 0.00 -0.00 0.00 0.00 57.00 59.11 2jva n GLN 28 Cb 0.99 -1.65 -0.01 0.00 0.00 0.00 0.00 30.24 29.57 2jva n GLN 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2jva s ASN 29 N -1.03 -1.27 -0.19 1.69 3.04 -1.26 -4.92 114.94 111.00 2jva s ASN 29 Ca 0.00 -1.04 -0.00 0.00 0.04 0.00 0.00 52.86 51.86 2jva s ASN 29 Cb 0.00 1.82 0.05 0.00 -1.54 0.00 0.00 41.25 41.58 2jva s ASN 29 CO 0.00 -0.16 -0.05 0.68 -3.04 0.00 0.00 177.10 174.54 2jva s VAL 30 N 1.63 1.22 -0.76 -5.21 -7.23 -1.26 -3.75 120.40 105.03 2jva s VAL 30 Ca 0.19 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 2jva s VAL 30 Cb -0.04 -1.45 0.38 0.00 0.56 0.00 0.00 36.38 35.82 2jva s VAL 30 CO -0.06 0.02 2.05 -3.20 -0.31 0.00 0.00 175.10 173.60 2jva n ASN 31 N 4.81 7.56 -0.57 4.85 5.15 -1.26 -5.00 115.26 130.80 2jva n ASN 31 Ca -0.12 -3.79 0.07 0.00 -0.60 0.00 0.00 54.58 50.14 2jva n ASN 31 Cb 0.46 -1.04 -0.03 0.00 -0.53 0.00 0.00 39.78 38.65 2jva n ASN 31 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2jva n LYS 32 N -0.63 -1.23 -1.59 1.20 4.81 -1.26 -4.83 118.16 114.63 2jva n LYS 32 Ca 0.57 0.92 -0.50 0.00 -0.87 0.00 0.00 58.31 58.43 2jva n LYS 32 Cb 0.41 -1.47 -0.05 0.00 0.02 0.00 0.00 35.03 33.94 2jva n LYS 32 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2jva n VAL 33 N -3.19 0.44 -1.81 3.15 3.14 -1.26 -4.93 118.33 113.88 2jva n VAL 33 Ca -0.01 -0.11 -0.33 0.00 -2.96 0.00 0.00 64.34 60.93 2jva n VAL 33 Cb 0.27 -0.88 0.04 0.00 -1.06 0.00 0.00 33.84 32.20 2jva n VAL 33 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2jva s SER 34 N 0.27 5.33 -0.05 6.55 0.01 -1.26 -4.97 113.70 119.58 2jva s SER 34 Ca 0.78 1.89 0.18 0.00 1.31 0.00 0.00 55.95 60.11 2jva s SER 34 Cb -0.89 -2.54 0.58 0.00 0.21 0.00 0.00 66.02 63.39 2jva s SER 34 CO 0.49 -1.48 1.49 -1.54 0.41 0.00 0.00 173.24 172.61 2jva n SER 35 N -2.42 3.97 -4.69 2.44 3.41 -1.26 -4.79 113.62 110.27 2jva n SER 35 Ca 0.09 -2.22 -0.39 0.00 -0.26 0.00 0.00 58.87 56.09 2jva n SER 35 Cb 0.52 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.41 3.48 0.13 7.33 0.00 -1.26 -3.66 121.76 126.37 2jva s ALA 36 Ca 0.43 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.26 2jva s ALA 36 Cb 0.25 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2jva s ALA 36 CO 0.24 -0.29 0.08 -1.64 0.00 0.00 0.00 175.76 174.15 2jva s MET 37 N 1.28 2.75 -0.15 0.00 -1.94 0.20 0.13 119.30 121.58 2jva s MET 37 Ca 0.29 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.43 2jva s MET 37 Cb -0.16 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.09 2jva s MET 37 CO 0.12 0.51 -0.20 -1.58 -0.01 0.00 0.00 175.02 173.86 2jva s HIS 38 N -1.58 2.59 -0.11 -0.03 5.04 0.11 -0.11 115.29 121.21 2jva s HIS 38 Ca 0.29 -1.40 0.01 0.00 -1.54 0.00 0.00 55.06 52.42 2jva s HIS 38 Cb -0.11 -1.79 -0.02 0.00 0.04 0.00 0.00 32.58 30.70 2jva s HIS 38 CO 0.21 -0.67 -0.13 -0.51 -2.34 0.00 0.00 174.74 171.30 2jva s LEU 39 N 1.05 2.73 -0.25 8.88 1.02 -0.74 0.09 118.68 131.46 2jva s LEU 39 Ca -0.02 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.87 2jva s LEU 39 Cb -0.14 -1.60 0.06 0.00 0.02 0.00 0.00 46.19 44.53 2jva s LEU 39 CO -0.06 0.22 -0.08 -0.60 0.02 0.00 0.00 176.35 175.85 2jva s ARG 40 N 0.01 1.96 -0.35 1.70 3.52 -0.12 -2.23 118.95 123.45 2jva s ARG 40 Ca -0.04 -1.22 -0.07 0.00 -0.13 0.00 0.00 55.73 54.27 2jva s ARG 40 Cb -0.14 -2.77 0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2jva s ARG 40 CO 0.04 -0.60 0.12 0.12 -0.81 0.00 0.00 175.30 174.18 2jva s PHE 41 N 1.22 3.27 -1.07 5.12 5.36 -0.84 -1.09 117.98 129.95 2jva s PHE 41 Ca -0.07 -1.46 -0.22 0.00 -0.96 0.00 0.00 56.93 54.22 2jva s PHE 41 Cb -0.19 -2.37 0.03 0.00 -0.34 0.00 0.00 43.02 40.15 2jva s PHE 41 CO -0.06 -0.75 1.61 -0.51 -1.46 0.00 0.00 175.22 174.05 2jva s ASP 42 N 1.48 6.31 0.27 6.13 1.01 -1.26 -1.73 116.67 128.87 2jva s ASP 42 Ca -0.01 -1.57 -0.02 0.00 0.71 0.00 0.00 52.55 51.66 2jva s ASP 42 Cb -0.20 -2.57 0.44 0.00 1.01 0.00 0.00 42.92 41.60 2jva s ASP 42 CO 0.03 -1.69 1.86 0.40 0.21 0.00 0.00 175.17 175.97 2jva h ILE 43 N 6.57 1.02 0.04 0.77 2.04 -1.38 0.21 117.51 126.78 2jva h ILE 43 Ca 0.24 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2jva h ILE 43 Cb 0.98 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2jva h ILE 43 CO 1.39 0.20 -0.16 -1.13 0.00 0.00 0.00 178.15 178.45 2jva h ASN 44 N 1.07 -0.47 1.57 1.72 -0.73 -1.16 -3.10 115.58 114.49 2jva h ASN 44 Ca 0.44 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.62 2jva h ASN 44 Cb 0.27 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 2jva h ASN 44 CO -0.20 -0.23 -0.44 0.00 -0.37 0.00 0.00 177.43 176.19 2jva h ALA 45 N 0.60 0.79 -2.26 1.57 0.00 -1.68 -3.47 119.26 114.81 2jva h ALA 45 Ca 0.04 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.20 2jva h ALA 45 Cb 0.34 -0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.33 2jva h ALA 45 CO -0.13 0.29 0.16 -1.13 0.00 0.00 0.00 179.25 178.45 2jva n SER 46 N -3.06 0.12 -0.30 0.00 3.41 0.70 -4.87 113.62 109.61 2jva n SER 46 Ca 0.02 0.40 0.01 0.00 -0.26 0.00 0.00 58.87 59.03 2jva n SER 46 Cb 0.63 -1.46 0.02 0.00 -0.26 0.00 0.00 64.21 63.15 2jva n SER 46 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jva n SER 47 N -4.10 0.71 -4.77 4.04 2.88 -1.26 -4.90 113.62 106.22 2jva n SER 47 Ca 0.11 -2.03 -0.40 0.00 -1.33 0.00 0.00 58.87 55.23 2jva n SER 47 Cb 0.52 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2jva n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jva s LEU 48 N -0.65 4.23 0.62 2.46 1.43 -1.26 -4.81 118.68 120.70 2jva s LEU 48 Ca 0.03 2.85 -0.18 0.00 -1.03 0.00 0.00 54.13 55.80 2jva s LEU 48 Cb 0.02 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 2jva s LEU 48 CO 0.02 -0.93 1.24 -2.84 0.23 0.00 0.00 176.35 174.07 2jva s PRO 49 N -2.22 2.75 0.31 1.29 0.02 -1.26 -4.80 135.00 131.08 2jva s PRO 49 Ca 0.56 1.90 0.05 0.00 0.02 0.00 0.00 61.00 63.54 2jva s PRO 49 Cb -0.42 -1.89 0.71 0.00 0.02 0.00 0.00 34.50 32.91 2jva s PRO 49 CO 0.55 -1.40 1.81 -1.35 -0.33 0.00 0.00 177.00 176.29 2jva h PRO 50 N 0.66 0.79 -0.57 5.54 0.11 -1.99 -1.39 132.00 135.15 2jva h PRO 50 Ca -0.50 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.66 2jva h PRO 50 Cb 1.31 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 2jva h PRO 50 CO 0.54 0.53 0.16 0.35 -0.21 0.00 0.00 178.00 179.37 2jva h PHE 51 N 0.82 0.27 -0.17 0.65 3.57 -2.00 0.65 116.94 120.72 2jva h PHE 51 Ca 0.53 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.96 2jva h PHE 51 Cb 0.75 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2jva h PHE 51 CO -0.00 0.03 -0.29 1.88 -2.23 0.00 0.00 178.31 177.69 2jva h TYR 52 N 0.31 0.63 0.33 0.41 -1.99 -1.65 -3.25 116.97 111.77 2jva h TYR 52 Ca 0.29 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 2jva h TYR 52 Cb 0.39 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.01 2jva h TYR 52 CO -0.21 0.93 -0.16 0.87 -0.00 0.00 0.00 178.16 179.59 2jva h LYS 53 N 0.14 -0.44 -0.68 4.88 1.57 -0.83 -2.81 116.57 118.41 2jva h LYS 53 Ca 0.01 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2jva h LYS 53 Cb 0.88 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.22 2jva h LYS 53 CO 0.07 -0.29 0.35 0.93 -0.57 0.00 0.00 179.45 179.94 2jva h GLU 54 N -0.45 0.60 -0.05 3.15 4.39 -0.98 0.28 114.58 121.52 2jva h GLU 54 Ca -0.04 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 2jva h GLU 54 Cb 0.35 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jva h GLU 54 CO 0.07 0.40 -0.57 0.00 -1.16 0.00 0.00 179.01 177.75 2jva h ARG 55 N 0.62 0.15 -0.08 2.33 3.08 -1.58 -0.83 114.38 118.06 2jva h ARG 55 Ca 0.32 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 2jva h ARG 55 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2jva h ARG 55 CO -0.23 0.68 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.91 2jva h LEU 56 N 0.11 0.45 -1.00 3.04 3.38 -1.02 -2.83 115.31 117.44 2jva h LEU 56 Ca -0.00 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.34 2jva h LEU 56 Cb 1.04 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2jva h LEU 56 CO 0.08 1.02 0.66 -0.07 0.09 0.00 0.00 178.44 180.22 2jva h LEU 57 N -0.09 1.12 -3.83 1.67 3.38 -0.39 -2.09 115.31 115.08 2jva h LEU 57 Ca -0.02 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.44 2jva h LEU 57 Cb 1.01 -0.27 -0.28 0.00 0.09 0.00 0.00 40.66 41.21 2jva h LEU 57 CO 0.07 0.79 0.62 0.00 0.09 0.00 0.00 178.44 180.02 2jva n ALA 58 N -2.37 5.43 -2.05 1.53 0.00 -0.33 -4.90 120.51 117.81 2jva n ALA 58 Ca 0.13 -2.70 -0.29 0.00 0.00 0.00 0.00 53.44 50.58 2jva n ALA 58 Cb 0.05 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 -3.06 3.31 0.00 0.00 2.96 -0.79 -4.95 118.68 116.15 2jva s LEU 59 Ca 0.53 1.06 0.18 0.00 -0.22 0.00 0.00 54.13 55.68 2jva s LEU 59 Cb 0.44 -3.99 0.84 0.00 0.50 0.00 0.00 46.19 43.98 2jva s LEU 59 CO 0.09 -0.89 1.57 -3.20 -1.32 0.00 0.00 176.35 172.60 2jva n ASN 60 N -2.59 0.85 -4.63 3.68 5.15 -1.26 -4.82 115.26 111.64 2jva n ASN 60 Ca 0.04 -1.61 -0.42 0.00 -0.60 0.00 0.00 54.58 51.99 2jva n ASN 60 Cb 0.56 -0.06 -0.04 0.00 -0.53 0.00 0.00 39.78 39.70 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 -1.51 6.77 0.00 1.20 -1.08 -1.26 -4.90 116.67 115.89 2jva s ASP 61 Ca 0.28 0.85 0.25 0.00 -0.52 0.00 0.00 52.55 53.42 2jva s ASP 61 Cb 0.14 -2.44 1.51 0.00 -1.46 0.00 0.00 42.92 40.67 2jva s ASP 61 CO 0.22 -0.63 1.88 -1.20 0.52 0.00 0.00 175.17 175.96 2jva n SER 62 N 6.25 0.00 -0.23 -0.34 7.64 -1.26 -1.81 113.62 123.87 2jva n SER 62 Ca 0.06 -0.84 0.12 0.00 1.01 0.00 0.00 58.87 59.22 2jva n SER 62 Cb 0.48 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.93 2jva n SER 62 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jva n ARG 63 N -0.99 0.70 -3.47 1.43 1.74 -1.26 -4.73 116.66 110.08 2jva n ARG 63 Ca 0.19 -0.47 -0.41 0.00 -0.77 0.00 0.00 57.85 56.40 2jva n ARG 63 Cb 0.09 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 2jva n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jva s ILE 64 N -2.62 5.24 0.55 0.55 1.01 -0.75 -2.93 121.20 122.25 2jva s ILE 64 Ca 0.20 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 2jva s ILE 64 Cb 0.19 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 2jva s ILE 64 CO 0.58 -0.06 1.02 0.42 0.00 0.00 0.00 174.94 176.91 2jva s THR 65 N 1.85 4.14 -2.00 2.92 -4.23 -0.39 -4.92 115.64 113.00 2jva s THR 65 Ca 0.08 1.03 0.22 0.00 -1.18 0.00 0.00 61.69 61.85 2jva s THR 65 Cb -0.17 -3.54 0.63 0.00 1.34 0.00 0.00 72.50 70.76 2jva s THR 65 CO 0.11 -0.58 1.70 -1.20 -0.54 0.00 0.00 174.62 174.11 2jva n SER 66 N -1.79 0.00 -0.28 3.99 7.64 -1.26 -1.43 113.62 120.48 2jva n SER 66 Ca 0.08 -0.73 0.12 0.00 1.01 0.00 0.00 58.87 59.35 2jva n SER 66 Cb 0.53 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.98 2jva n SER 66 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jva n ASP 67 N -0.99 1.26 -0.11 6.43 8.00 -1.26 -4.95 116.55 124.93 2jva n ASP 67 Ca 0.17 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2jva n ASP 67 Cb 0.08 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 2jva n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jva n GLY 68 N 1.38 1.14 3.01 0.44 0.00 -0.52 -4.70 105.19 105.94 2jva n GLY 68 Ca 0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.22 0.99 -0.19 1.61 1.01 -1.25 -0.64 120.40 119.72 2jva s VAL 69 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2jva s VAL 69 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2jva s VAL 69 CO 0.00 0.31 0.06 -0.51 0.00 0.00 0.00 175.10 174.96 2jva s ILE 70 N 0.54 4.69 -0.09 2.22 2.07 -0.71 -1.26 121.20 128.67 2jva s ILE 70 Ca -0.11 -0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.11 2jva s ILE 70 Cb -0.14 -3.12 -0.01 0.00 0.13 0.00 0.00 42.46 39.33 2jva s ILE 70 CO 0.02 0.45 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.59 2jva s VAL 71 N 0.46 2.24 0.06 4.00 1.01 -1.15 -1.99 120.40 125.03 2jva s VAL 71 Ca 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2jva s VAL 71 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2jva s VAL 71 CO 0.01 0.56 0.03 -1.48 0.00 0.00 0.00 175.10 174.22 2jva s LEU 72 N 0.13 2.19 -0.27 3.92 2.34 -0.95 -4.88 118.68 121.17 2jva s LEU 72 Ca -0.12 -0.86 0.00 0.00 0.06 0.00 0.00 54.13 53.22 2jva s LEU 72 Cb -0.16 0.41 0.08 0.00 -0.56 0.00 0.00 46.19 45.96 2jva s LEU 72 CO 0.06 -0.61 0.02 -0.54 -1.06 0.00 0.00 176.35 174.22 2jva s LYS 73 N -3.68 1.24 -0.58 1.48 1.02 -1.26 -1.79 119.74 116.17 2jva s LYS 73 Ca 0.04 -1.10 -0.21 0.00 0.02 0.00 0.00 55.97 54.73 2jva s LYS 73 Cb 0.06 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 34.96 2jva s LYS 73 CO -0.09 -0.77 0.82 0.00 -0.92 0.00 0.00 175.35 174.39 2jva s ALA 74 N 1.43 3.26 -0.05 5.17 0.00 0.84 -4.77 121.76 127.63 2jva s ALA 74 Ca 0.02 -1.77 0.14 0.00 0.00 0.00 0.00 51.96 50.36 2jva s ALA 74 Cb -0.18 -3.63 0.28 0.00 0.00 0.00 0.00 23.12 19.58 2jva s ALA 74 CO -0.12 -2.41 1.12 0.00 0.00 0.00 0.00 175.76 174.36 2jva n GLN 75 N 6.97 0.45 -0.04 0.00 -0.00 -1.26 -0.63 117.38 122.87 2jva n GLN 75 Ca -0.05 -1.99 -0.15 0.00 -0.00 0.00 0.00 57.00 54.81 2jva n GLN 75 Cb 0.45 -0.64 -0.08 0.00 -0.00 0.00 0.00 30.24 29.98 2jva n GLN 75 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2jva h GLN 76 N 0.55 0.53 -7.00 2.61 1.08 -1.91 -3.46 115.11 107.52 2jva h GLN 76 Ca -0.09 -0.40 -0.46 0.00 -1.45 0.00 0.00 58.65 56.26 2jva h GLN 76 Cb 1.47 0.07 0.07 0.00 -0.05 0.00 0.00 27.48 29.04 2jva h GLN 76 CO 0.04 1.02 0.05 -0.47 -0.95 0.00 0.00 178.83 178.52 2jva s TYR 77 N -3.81 2.14 0.19 2.96 5.04 -1.26 -5.02 117.35 117.59 2jva s TYR 77 Ca -0.13 -0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.38 2jva s TYR 77 Cb 0.06 -2.88 0.08 0.00 0.35 0.00 0.00 41.96 39.57 2jva s TYR 77 CO 0.82 -1.35 1.44 -0.09 -1.34 0.00 0.00 175.55 175.03 2jva h ARG 78 N -0.27 0.19 -5.61 4.97 9.65 -1.93 -3.47 114.38 117.92 2jva h ARG 78 Ca -0.39 -0.18 -0.51 0.00 -1.10 0.00 0.00 59.98 57.80 2jva h ARG 78 Cb 1.28 0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 29.77 2jva h ARG 78 CO 0.46 0.89 -0.69 0.95 2.80 0.00 0.00 179.97 184.38 2jva s THR 79 N -3.37 1.77 0.04 0.20 -4.23 -1.26 -4.71 115.64 104.08 2jva s THR 79 Ca -0.03 -2.16 -0.28 0.00 -1.18 0.00 0.00 61.69 58.04 2jva s THR 79 Cb 0.11 -2.42 -0.17 0.00 1.34 0.00 0.00 72.50 71.36 2jva s THR 79 CO 0.82 -0.33 1.38 1.56 -0.54 0.00 0.00 174.62 177.51 2jva h GLN 80 N 2.28 -0.69 -0.67 3.99 4.20 -1.87 -1.90 115.11 120.46 2jva h GLN 80 Ca -0.40 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.48 2jva h GLN 80 Cb 1.24 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 2jva h GLN 80 CO 0.67 -0.39 0.45 1.49 -0.67 0.00 0.00 178.83 180.37 2jva h GLU 81 N -0.90 0.40 0.02 1.46 4.81 -1.98 0.40 114.58 118.79 2jva h GLU 81 Ca -0.07 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.86 2jva h GLU 81 Cb 0.61 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.93 2jva h GLU 81 CO 0.12 0.26 -1.07 1.96 -0.73 0.00 0.00 179.01 179.55 2jva h GLN 82 N 0.41 0.69 0.00 1.92 1.08 -1.96 -3.02 115.11 114.24 2jva h GLN 82 Ca 0.32 -0.77 -0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2jva h GLN 82 Cb 0.68 0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2jva h GLN 82 CO -0.09 1.34 -0.12 -0.91 -0.95 0.00 0.00 178.83 178.10 2jva h ASN 83 N 0.37 0.00 0.34 1.46 2.35 -0.13 0.54 115.58 120.52 2jva h ASN 83 Ca -0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2jva h ASN 83 Cb 1.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 2jva h ASN 83 CO 0.21 0.12 -0.27 -0.09 -1.65 0.00 0.00 177.43 175.75 2jva h ARG 84 N 0.00 -0.60 -0.17 0.81 2.43 -0.19 0.33 114.38 116.99 2jva h ARG 84 Ca -0.00 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2jva h ARG 84 Cb 0.22 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2jva h ARG 84 CO 0.02 -0.40 -0.46 0.00 -1.51 0.00 0.00 179.97 177.62 2jva h ALA 85 N -0.04 0.88 0.27 2.80 0.00 -1.36 -2.61 119.26 119.21 2jva h ALA 85 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2jva h ALA 85 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jva h ALA 85 CO -0.01 0.65 -0.13 0.22 0.00 0.00 0.00 179.25 179.98 2jva h ASP 86 N 0.35 -0.31 -0.59 0.00 1.82 -0.73 -2.08 116.42 114.88 2jva h ASP 86 Ca 0.02 -0.12 0.04 0.00 -0.39 0.00 0.00 57.03 56.59 2jva h ASP 86 Cb 0.95 0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.99 2jva h ASP 86 CO 0.08 -0.06 0.33 0.00 -1.61 0.00 0.00 179.24 177.99 2jva h ALA 87 N 0.10 0.78 -0.58 -0.78 0.00 -0.35 0.70 119.26 119.13 2jva h ALA 87 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jva h ALA 87 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2jva h ALA 87 CO 0.06 0.02 0.25 -0.07 0.00 0.00 0.00 179.25 179.51 2jva h LEU 88 N 0.64 0.76 -0.19 0.00 3.38 -1.45 0.30 115.31 118.74 2jva h LEU 88 Ca 0.26 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2jva h LEU 88 Cb 0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jva h LEU 88 CO -0.15 0.67 -0.28 0.25 0.09 0.00 0.00 178.44 179.01 2jva h LEU 89 N 0.83 0.58 -0.96 1.67 5.85 -0.57 -1.98 115.31 120.72 2jva h LEU 89 Ca 0.20 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.30 2jva h LEU 89 Cb 0.13 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2jva h LEU 89 CO -0.02 0.99 -0.51 0.03 -0.34 0.00 0.00 178.44 178.59 2jva h ARG 90 N 0.20 0.00 0.09 1.25 3.08 -0.59 -2.02 114.38 116.39 2jva h ARG 90 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jva h ARG 90 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2jva h ARG 90 CO 0.07 0.51 -0.04 1.25 -1.07 0.00 0.00 179.97 180.68 2jva h LEU 91 N 0.00 -0.11 -0.57 3.04 5.85 -0.35 -0.81 115.31 122.36 2jva h LEU 91 Ca -0.01 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2jva h LEU 91 Cb 0.92 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2jva h LEU 91 CO 0.07 0.33 0.37 0.77 -0.34 0.00 0.00 178.44 179.64 2jva h SER 92 N -0.57 0.66 -0.99 1.25 4.64 -1.35 -1.77 113.55 115.42 2jva h SER 92 Ca -0.01 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2jva h SER 92 Cb 0.47 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 2jva h SER 92 CO 0.02 0.49 0.66 -0.33 -0.87 0.00 0.00 176.83 176.80 2jva h GLU 93 N 0.77 1.31 -0.38 4.77 4.39 -1.39 -2.48 114.58 121.56 2jva h GLU 93 Ca 0.21 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.84 2jva h GLU 93 Cb -0.08 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.26 2jva h GLU 93 CO -0.04 0.86 0.23 1.25 -1.16 0.00 0.00 179.01 180.15 2jva h LEU 94 N 1.35 0.38 -0.36 1.33 6.46 -0.30 0.38 115.31 124.55 2jva h LEU 94 Ca 0.36 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 2jva h LEU 94 Cb -0.15 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 2jva h LEU 94 CO -0.08 0.27 0.22 0.40 -0.62 0.00 0.00 178.44 178.63 2jva h ILE 95 N 0.47 1.11 -0.11 4.05 2.04 -1.13 0.04 117.51 123.98 2jva h ILE 95 Ca 0.15 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 65.56 2jva h ILE 95 Cb -0.01 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2jva h ILE 95 CO -0.06 0.11 -0.71 0.58 0.00 0.00 0.00 178.15 178.08 2jva h VAL 96 N 0.47 1.35 -0.15 1.67 2.07 -1.10 -3.03 116.25 117.52 2jva h VAL 96 Ca 0.13 -2.05 -0.11 0.00 0.82 0.00 0.00 66.70 65.49 2jva h VAL 96 Cb -0.00 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2jva h VAL 96 CO -0.02 0.63 -0.40 0.78 0.02 0.00 0.00 177.57 178.57 2jva h ASN 97 N 0.35 0.36 0.53 0.57 2.35 -0.09 -2.63 115.58 117.02 2jva h ASN 97 Ca -0.03 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2jva h ASN 97 Cb 1.28 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 2jva h ASN 97 CO 0.13 0.73 -0.12 0.00 -1.65 0.00 0.00 177.43 176.52 2jva h ALA 98 N 1.29 1.17 0.00 -0.83 0.00 -0.87 -2.20 119.26 117.82 2jva h ALA 98 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jva h ALA 98 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jva h ALA 98 CO 0.07 0.15 -0.18 0.00 0.00 0.00 0.00 179.25 179.28 2jva h ALA 99 N 1.88 1.14 0.00 0.00 0.00 -1.38 -2.10 119.26 118.80 2jva h ALA 99 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jva h ALA 99 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jva h ALA 99 CO 0.02 0.23 -0.11 1.63 0.00 0.00 0.00 179.25 181.01 2jva n LYS 100 N -3.51 0.09 -2.65 0.00 4.01 -0.83 -4.73 118.16 110.53 2jva n LYS 100 Ca -0.01 0.06 -0.42 0.00 -0.51 0.00 0.00 58.31 57.43 2jva n LYS 100 Cb 0.34 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.24 2jva n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jva s LEU 101 N -3.48 3.59 -0.18 -0.35 1.43 -0.79 -4.79 118.68 114.10 2jva s LEU 101 Ca 0.12 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 2jva s LEU 101 Cb 0.17 -2.86 -0.22 0.00 0.03 0.00 0.00 46.19 43.30 2jva s LEU 101 CO 0.58 -1.53 0.12 -1.84 0.23 0.00 0.00 176.35 173.91 2jva n GLU 102 N 8.44 0.68 -1.98 1.70 0.28 -1.26 -4.81 120.64 123.68 2jva n GLU 102 Ca 0.05 0.15 -0.28 0.00 -0.16 0.00 0.00 57.16 56.92 2jva n GLU 102 Cb 0.48 -1.60 -0.05 0.00 1.43 0.00 0.00 31.44 31.70 2jva n GLU 102 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2jva s HIS 103 N -2.53 1.69 -0.40 -1.84 -3.43 -1.26 -4.91 115.29 102.60 2jva s HIS 103 Ca -0.21 0.83 -0.05 0.00 -0.80 0.00 0.00 55.06 54.83 2jva s HIS 103 Cb 0.07 -3.98 0.09 0.00 -1.43 0.00 0.00 32.58 27.33 2jva s HIS 103 CO 0.73 -1.87 0.20 -1.58 -2.00 0.00 0.00 174.74 170.22 2jva s HIS 104 N 10.43 3.43 0.24 0.38 5.04 -1.26 -5.03 115.29 128.52 2jva s HIS 104 Ca 0.73 -1.95 -0.05 0.00 -1.54 0.00 0.00 55.06 52.25 2jva s HIS 104 Cb -0.09 -2.94 0.02 0.00 0.04 0.00 0.00 32.58 29.61 2jva s HIS 104 CO 0.05 -0.90 0.40 0.72 -2.34 0.00 0.00 174.74 172.68 2jva n HIS 105 N 4.74 -1.42 -2.71 3.88 8.25 -1.26 -5.07 115.22 121.63 2jva n HIS 105 Ca -0.07 -1.43 -0.42 0.00 -0.26 0.00 0.00 57.72 55.53 2jva n HIS 105 Cb 0.42 0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.97 2jva n HIS 105 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jva s HIS 106 N -3.98 2.76 0.24 4.41 3.76 -1.26 -4.80 115.29 116.42 2jva s HIS 106 Ca 0.16 -1.04 0.13 0.00 -0.15 0.00 0.00 55.06 54.16 2jva s HIS 106 Cb -0.02 -4.53 0.47 0.00 1.11 0.00 0.00 32.58 29.61 2jva s HIS 106 CO 0.11 -1.76 1.66 1.25 -0.85 0.00 0.00 174.74 175.15 2jva h HIS 107 N 9.43 0.00 0.00 1.40 6.17 -1.95 -3.54 115.15 126.65 2jva h HIS 107 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.25 2jva h HIS 107 Cb 1.02 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.95 2jva h HIS 107 CO 1.23 0.54 0.00 -2.39 0.71 0.00 0.00 177.93 178.01