#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 5.36 -0.44 -0.89 2.96 -0.31 -4.95 118.68 120.40 2jva s LEU 2 Ca 0.00 -1.56 -0.24 0.00 -0.22 0.00 0.00 54.13 52.12 2jva s LEU 2 Cb 0.00 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.40 2jva s LEU 2 CO 0.00 -1.10 0.82 -0.69 -1.32 0.00 0.00 176.35 174.06 2jva s VAL 3 N 2.63 4.62 -0.19 1.68 1.01 -1.26 -0.48 120.40 128.41 2jva s VAL 3 Ca 0.15 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2jva s VAL 3 Cb -0.20 -4.34 -0.21 0.00 0.00 0.00 0.00 36.38 31.63 2jva s VAL 3 CO 0.04 -0.71 0.06 -0.38 0.00 0.00 0.00 175.10 174.11 2jva n ILE 4 N 6.16 1.59 -4.02 2.22 5.41 -0.96 -5.04 119.36 124.74 2jva n ILE 4 Ca 0.03 -0.64 -0.12 0.00 1.00 0.00 0.00 62.75 63.02 2jva n ILE 4 Cb 0.48 -1.42 -0.03 0.00 -0.71 0.00 0.00 39.64 37.96 2jva n ILE 4 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2jva s SER 5 N -6.58 0.48 0.21 4.38 0.15 -0.87 -4.99 113.70 106.49 2jva s SER 5 Ca -0.26 -1.28 -0.10 0.00 0.70 0.00 0.00 55.95 55.01 2jva s SER 5 Cb 0.08 0.68 0.17 0.00 -1.71 0.00 0.00 66.02 65.24 2jva s SER 5 CO 0.69 -1.33 1.89 0.78 1.20 0.00 0.00 173.24 176.47 2jva h ASN 6 N 2.13 0.89 -0.51 5.45 4.21 -2.03 -2.64 115.58 123.08 2jva h ASN 6 Ca -0.28 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2jva h ASN 6 Cb 1.24 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 2jva h ASN 6 CO 0.38 0.64 0.00 -3.20 -1.29 0.00 0.00 177.43 173.97 2jva n ASN 7 N -4.55 3.40 -3.91 5.81 5.15 -1.26 -4.88 115.26 115.02 2jva n ASN 7 Ca 0.08 -2.02 -0.28 0.00 -0.60 0.00 0.00 54.58 51.77 2jva n ASN 7 Cb 0.02 -0.35 -0.17 0.00 -0.53 0.00 0.00 39.78 38.76 2jva n ASN 7 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jva s VAL 8 N -1.03 1.11 0.08 3.44 1.01 -1.00 -5.12 120.40 118.90 2jva s VAL 8 Ca 0.35 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2jva s VAL 8 Cb 0.18 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2jva s VAL 8 CO 0.23 0.28 -0.11 -1.00 0.00 0.00 0.00 175.10 174.50 2jva s HIS 9 N 1.66 1.01 -0.07 5.22 3.76 -1.26 -2.04 115.29 123.56 2jva s HIS 9 Ca 0.03 -0.56 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 2jva s HIS 9 Cb -0.14 -0.56 -0.00 0.00 1.11 0.00 0.00 32.58 32.99 2jva s HIS 9 CO -0.08 -0.01 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.09 2jva s LEU 10 N -2.04 1.95 0.22 0.89 1.43 0.37 -4.93 118.68 116.57 2jva s LEU 10 Ca -0.00 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2jva s LEU 10 Cb -0.07 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 2jva s LEU 10 CO 0.01 0.15 1.29 -2.84 0.23 0.00 0.00 176.35 175.19 2jva s PRO 11 N 0.21 4.40 0.27 1.29 0.02 -1.26 -1.17 135.00 138.77 2jva s PRO 11 Ca -0.11 2.06 -0.02 0.00 0.02 0.00 0.00 61.00 62.95 2jva s PRO 11 Cb -0.15 -3.18 0.43 0.00 0.02 0.00 0.00 34.50 31.62 2jva s PRO 11 CO 0.05 -0.21 1.89 -0.44 -0.33 0.00 0.00 177.00 177.96 2jva h ASP 12 N 5.02 1.02 -0.18 2.53 5.19 -1.94 -1.81 116.42 126.26 2jva h ASP 12 Ca -0.45 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.01 2jva h ASP 12 Cb 1.22 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 2jva h ASP 12 CO 0.75 0.66 0.18 0.00 -3.12 0.00 0.00 179.24 177.71 2jva h ALA 13 N 1.46 1.85 -0.19 3.45 0.00 -2.05 -0.57 119.26 123.22 2jva h ALA 13 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2jva h ALA 13 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jva h ALA 13 CO -0.16 -0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.21 2jva n GLU 14 N -3.92 1.59 -4.02 0.00 1.02 -0.68 -4.67 120.64 109.96 2jva n GLU 14 Ca 0.01 -0.89 -0.34 0.00 -0.02 0.00 0.00 57.16 55.92 2jva n GLU 14 Cb 0.30 -1.30 -0.15 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.75 2.64 -0.43 -3.67 1.01 -0.22 -4.14 121.20 114.63 2jva s ILE 15 Ca 0.26 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 2jva s ILE 15 Cb 0.13 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.44 2jva s ILE 15 CO 0.20 0.43 0.35 -0.70 0.00 0.00 0.00 174.94 175.22 2jva s GLU 16 N 1.35 3.00 -0.37 2.79 2.56 -0.43 -4.99 118.70 122.61 2jva s GLU 16 Ca 0.04 -1.05 -0.11 0.00 0.00 0.00 0.00 54.97 53.84 2jva s GLU 16 Cb -0.14 -4.02 0.02 0.00 2.00 0.00 0.00 34.13 31.99 2jva s GLU 16 CO -0.08 -0.84 0.22 -0.51 -0.56 0.00 0.00 175.26 173.48 2jva s LEU 17 N 1.77 4.73 0.16 2.70 1.02 -1.26 -0.92 118.68 126.89 2jva s LEU 17 Ca 0.06 -0.94 0.09 0.00 0.02 0.00 0.00 54.13 53.37 2jva s LEU 17 Cb -0.20 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 2jva s LEU 17 CO 0.10 -0.38 -0.15 -0.89 0.02 0.00 0.00 176.35 175.05 2jva s THR 18 N 1.58 2.95 -0.18 5.49 2.01 0.13 -4.98 115.64 122.63 2jva s THR 18 Ca 0.03 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.30 2jva s THR 18 Cb -0.19 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2jva s THR 18 CO 0.07 -0.05 -0.01 0.00 -0.69 0.00 0.00 174.62 173.94 2jva s ALA 19 N -1.54 3.04 -0.24 7.40 0.00 -1.26 0.47 121.76 129.63 2jva s ALA 19 Ca 0.22 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 2jva s ALA 19 Cb -0.09 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2jva s ALA 19 CO 0.13 -0.01 0.96 0.42 0.00 0.00 0.00 175.76 177.26 2jva s ILE 20 N 0.74 4.73 0.15 0.00 1.01 0.12 -4.89 121.20 123.07 2jva s ILE 20 Ca -0.00 1.84 -0.14 0.00 0.00 0.00 0.00 60.65 62.35 2jva s ILE 20 Cb -0.14 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 2jva s ILE 20 CO 0.02 -0.15 0.55 -0.13 0.00 0.00 0.00 174.94 175.22 2jva s ARG 21 N 3.09 3.97 0.22 2.79 1.81 -1.26 -4.03 118.95 125.54 2jva s ARG 21 Ca 0.41 0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 54.76 2jva s ARG 21 Cb -0.15 -2.92 -0.08 0.00 -0.45 0.00 0.00 34.95 31.35 2jva s ARG 21 CO 0.07 0.47 0.61 0.00 -0.68 0.00 0.00 175.30 175.78 2jva s ALA 22 N -1.48 3.50 0.26 2.13 0.00 -1.26 -4.96 121.76 119.95 2jva s ALA 22 Ca 0.38 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 2jva s ALA 22 Cb -0.15 -2.59 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 2jva s ALA 22 CO 0.19 0.43 0.91 -0.65 0.00 0.00 0.00 175.76 176.64 2jva s GLN 23 N -2.45 4.71 -0.97 0.00 -0.21 -1.26 -4.95 119.66 114.53 2jva s GLN 23 Ca 0.45 1.37 -0.01 0.00 0.02 0.00 0.00 55.36 57.19 2jva s GLN 23 Cb -0.13 -3.10 0.33 0.00 1.00 0.00 0.00 33.01 31.11 2jva s GLN 23 CO 0.20 0.44 1.87 0.41 -2.12 0.00 0.00 175.29 176.09 2jva n GLY 24 N 1.16 5.96 3.31 3.09 0.00 -1.26 -4.71 105.19 112.73 2jva n GLY 24 Ca -0.01 -2.55 -0.16 0.00 0.00 0.00 0.00 46.02 43.29 2jva n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jva s ALA 25 N -4.25 1.71 0.00 4.61 0.00 -1.26 -4.98 121.76 117.60 2jva s ALA 25 Ca 0.43 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2jva s ALA 25 Cb 0.27 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.52 2jva s ALA 25 CO -0.22 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2jva n GLY 26 N -0.47 1.33 0.00 0.00 0.00 -1.26 -4.86 105.19 99.93 2jva n GLY 26 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 5.13 2.32 -0.02 0.00 -1.26 -5.17 105.19 106.19 2jva n GLY 27 Ca 0.00 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2jva n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jva n GLN 28 N 0.00 0.86 0.00 1.61 10.64 -1.26 -4.59 117.38 124.64 2jva n GLN 28 Ca 0.00 -1.96 0.00 0.00 -1.83 0.00 0.00 57.00 53.21 2jva n GLN 28 Cb 0.00 0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.39 2jva n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2jva n ASN 29 N -2.31 0.00 -3.64 2.61 5.15 -1.26 -4.83 115.26 110.98 2jva n ASN 29 Ca 0.05 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.62 2jva n ASN 29 Cb 0.37 -0.46 -0.00 0.00 -0.53 0.00 0.00 39.78 39.15 2jva n ASN 29 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2jva n VAL 30 N -1.74 4.90 -1.66 3.44 0.24 -1.26 -4.20 118.33 118.04 2jva n VAL 30 Ca 0.00 -4.41 0.02 0.00 -2.04 0.00 0.00 64.34 57.91 2jva n VAL 30 Cb 0.00 -2.18 0.02 0.00 -1.47 0.00 0.00 33.84 30.21 2jva n VAL 30 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jva n ASN 31 N 2.53 0.46 -4.82 -1.34 4.13 -1.26 -4.02 115.26 110.94 2jva n ASN 31 Ca 0.52 -2.07 -0.37 0.00 1.68 0.00 0.00 54.58 54.34 2jva n ASN 31 Cb 0.29 -0.21 -0.06 0.00 -1.54 0.00 0.00 39.78 38.26 2jva n ASN 31 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jva s LYS 32 N -0.52 4.13 -0.02 3.52 -0.14 -1.26 -5.05 119.74 120.41 2jva s LYS 32 Ca 0.05 0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 55.04 2jva s LYS 32 Cb 0.05 -3.07 -0.03 0.00 -1.68 0.00 0.00 37.83 33.10 2jva s LYS 32 CO 0.01 0.54 1.12 0.54 -0.76 0.00 0.00 175.35 176.79 2jva s VAL 33 N -1.31 4.42 0.57 3.17 0.11 -1.26 -4.34 120.40 121.77 2jva s VAL 33 Ca 0.35 1.73 -0.13 0.00 -2.93 0.00 0.00 61.98 61.00 2jva s VAL 33 Cb -0.17 -4.11 -0.06 0.00 -1.53 0.00 0.00 36.38 30.51 2jva s VAL 33 CO 0.20 0.07 1.00 -0.55 -3.33 0.00 0.00 175.10 172.49 2jva s SER 34 N 1.19 6.39 0.00 3.54 0.15 -1.26 -4.96 113.70 118.76 2jva s SER 34 Ca 0.54 1.46 0.22 0.00 0.70 0.00 0.00 55.95 58.88 2jva s SER 34 Cb -0.24 -2.48 0.54 0.00 -1.71 0.00 0.00 66.02 62.13 2jva s SER 34 CO 0.25 -0.75 1.47 -1.20 1.20 0.00 0.00 173.24 174.21 2jva n SER 35 N -2.26 3.51 -4.64 5.45 7.64 -1.26 -4.79 113.62 117.27 2jva n SER 35 Ca 0.06 -1.98 -0.43 0.00 1.01 0.00 0.00 58.87 57.53 2jva n SER 35 Cb 0.54 -0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jva s ALA 36 N -1.30 3.51 0.04 -0.43 0.00 -1.26 -4.15 121.76 118.17 2jva s ALA 36 Ca 0.42 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 2jva s ALA 36 Cb 0.23 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2jva s ALA 36 CO 0.31 -1.46 0.23 -1.64 0.00 0.00 0.00 175.76 173.20 2jva s MET 37 N 3.74 3.48 -0.19 0.00 -1.94 -0.18 -0.70 119.30 123.51 2jva s MET 37 Ca 0.51 -0.30 -0.05 0.00 -1.71 0.00 0.00 55.69 54.14 2jva s MET 37 Cb -0.16 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2jva s MET 37 CO 0.17 0.62 0.00 -1.58 -0.01 0.00 0.00 175.02 174.22 2jva s HIS 38 N -1.43 3.07 -0.11 -0.03 5.04 0.18 -0.10 115.29 121.91 2jva s HIS 38 Ca 0.32 -0.31 0.03 0.00 -1.54 0.00 0.00 55.06 53.56 2jva s HIS 38 Cb -0.13 -2.06 0.00 0.00 0.04 0.00 0.00 32.58 30.44 2jva s HIS 38 CO 0.22 -0.12 -0.23 -1.17 -2.34 0.00 0.00 174.74 171.11 2jva s LEU 39 N 0.74 2.05 -0.23 8.88 2.96 -0.51 0.17 118.68 132.75 2jva s LEU 39 Ca 0.00 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2jva s LEU 39 Cb -0.14 -1.37 0.05 0.00 0.50 0.00 0.00 46.19 45.23 2jva s LEU 39 CO 0.02 0.13 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.45 2jva s ARG 40 N 0.49 2.32 -0.37 1.98 3.52 -0.09 -1.78 118.95 125.02 2jva s ARG 40 Ca -0.16 -1.10 -0.05 0.00 -0.13 0.00 0.00 55.73 54.29 2jva s ARG 40 Cb -0.17 -2.70 0.07 0.00 -1.56 0.00 0.00 34.95 30.60 2jva s ARG 40 CO 0.06 -0.46 0.15 0.12 -0.81 0.00 0.00 175.30 174.36 2jva s PHE 41 N 1.23 3.38 -0.15 5.12 5.36 0.12 -1.31 117.98 131.72 2jva s PHE 41 Ca -0.04 -1.84 -0.29 0.00 -0.96 0.00 0.00 56.93 53.80 2jva s PHE 41 Cb -0.18 -2.70 -0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2jva s PHE 41 CO -0.08 -0.85 1.31 0.34 -1.46 0.00 0.00 175.22 174.49 2jva s ASP 42 N 1.69 6.91 0.05 6.13 -1.08 -1.26 0.16 116.67 129.27 2jva s ASP 42 Ca 0.02 1.77 -0.10 0.00 -0.52 0.00 0.00 52.55 53.72 2jva s ASP 42 Cb -0.21 -2.54 -0.32 0.00 -1.46 0.00 0.00 42.92 38.39 2jva s ASP 42 CO -0.00 -0.78 1.06 0.40 0.52 0.00 0.00 175.17 176.37 2jva h ILE 43 N 5.48 1.38 0.72 4.11 2.04 -1.08 -2.90 117.51 127.26 2jva h ILE 43 Ca -0.28 -2.88 -0.04 0.00 1.00 0.00 0.00 64.86 62.66 2jva h ILE 43 Cb 1.11 2.98 0.01 0.00 -0.74 0.00 0.00 36.82 40.19 2jva h ILE 43 CO 0.96 0.85 -0.34 -1.13 0.00 0.00 0.00 178.15 178.49 2jva h ASN 44 N 0.11 -0.82 -0.38 1.72 -0.73 -1.58 -3.09 115.58 110.82 2jva h ASN 44 Ca -0.20 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.98 2jva h ASN 44 Cb 2.07 0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.87 2jva h ASN 44 CO 0.24 -0.53 0.00 0.00 -0.37 0.00 0.00 177.43 176.76 2jva n ALA 45 N -2.56 2.77 -1.77 1.57 0.00 -1.26 -4.93 120.51 114.33 2jva n ALA 45 Ca -0.14 -0.86 -0.37 0.00 0.00 0.00 0.00 53.44 52.07 2jva n ALA 45 Cb 0.40 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.78 6.07 0.00 0.00 1.04 -1.10 -4.89 113.70 114.05 2jva s SER 46 Ca 0.29 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.10 2jva s SER 46 Cb 0.18 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2jva s SER 46 CO 0.15 -0.99 0.56 -1.20 0.98 0.00 0.00 173.24 172.74 2jva n SER 47 N -0.51 0.47 -4.68 7.02 7.64 -1.26 -4.81 113.62 117.50 2jva n SER 47 Ca 0.07 -1.60 -0.42 0.00 1.01 0.00 0.00 58.87 57.93 2jva n SER 47 Cb 0.47 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.41 4.21 0.96 -3.43 1.43 -1.26 -5.01 118.68 115.18 2jva s LEU 48 Ca 0.00 1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 54.43 2jva s LEU 48 Cb 0.00 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.71 2jva s LEU 48 CO 0.00 -0.49 0.26 -2.65 0.23 0.00 0.00 176.35 173.69 2jva n PRO 49 N 5.33 -0.33 -0.21 1.29 -0.02 -1.26 -4.57 135.00 135.22 2jva n PRO 49 Ca 0.09 -0.06 0.27 0.00 -2.02 0.00 0.00 63.50 61.78 2jva n PRO 49 Cb 0.48 -1.76 0.67 0.00 -0.02 0.00 0.00 33.50 32.87 2jva n PRO 49 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jva h PRO 50 N -1.54 0.10 -0.31 0.52 0.11 -1.98 0.04 132.00 128.95 2jva h PRO 50 Ca -0.44 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.73 2jva h PRO 50 Cb 1.29 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 2jva h PRO 50 CO 0.33 0.07 -0.08 0.35 -0.21 0.00 0.00 178.00 178.46 2jva h PHE 51 N 0.11 -0.17 -0.34 0.65 3.57 -2.00 0.58 116.94 119.33 2jva h PHE 51 Ca 0.45 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.83 2jva h PHE 51 Cb 1.62 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.48 2jva h PHE 51 CO -0.00 -0.14 -0.37 1.88 -2.23 0.00 0.00 178.31 177.46 2jva h TYR 52 N -0.00 1.02 -0.32 0.41 -1.99 -1.32 -3.03 116.97 111.74 2jva h TYR 52 Ca 0.15 -0.31 0.07 0.00 2.00 0.00 0.00 58.73 60.64 2jva h TYR 52 Cb 0.23 -0.21 -0.08 0.00 2.00 0.00 0.00 36.73 38.67 2jva h TYR 52 CO -0.30 1.12 -0.25 0.87 -0.00 0.00 0.00 178.16 179.60 2jva h LYS 53 N 0.64 -0.21 -0.42 4.88 1.79 -0.92 -2.17 116.57 120.15 2jva h LYS 53 Ca 0.05 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.59 2jva h LYS 53 Cb 0.96 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.61 2jva h LYS 53 CO 0.09 -0.14 0.13 0.93 -1.08 0.00 0.00 179.45 179.38 2jva h GLU 54 N -0.22 0.28 -0.94 3.15 4.39 -0.84 0.19 114.58 120.59 2jva h GLU 54 Ca 0.16 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2jva h GLU 54 Cb 0.48 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 2jva h GLU 54 CO -0.45 0.19 0.59 0.00 -1.16 0.00 0.00 179.01 178.18 2jva h ARG 55 N 0.29 1.26 -0.04 2.33 2.47 -1.36 -0.56 114.38 118.77 2jva h ARG 55 Ca 0.20 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2jva h ARG 55 Cb 0.20 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2jva h ARG 55 CO -0.22 0.86 -0.16 -0.07 0.56 0.00 0.00 179.97 180.94 2jva h LEU 56 N 1.29 0.22 -1.91 3.04 3.38 -0.76 -3.03 115.31 117.53 2jva h LEU 56 Ca 0.34 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2jva h LEU 56 Cb -0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jva h LEU 56 CO -0.07 0.81 -0.11 -0.07 0.09 0.00 0.00 178.44 179.10 2jva h LEU 57 N -0.36 0.00 -3.25 1.67 3.38 -0.47 -1.99 115.31 114.28 2jva h LEU 57 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jva h LEU 57 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jva h LEU 57 CO 0.03 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2jva n ALA 58 N -2.43 3.29 -2.36 1.53 0.00 -0.23 -4.97 120.51 115.35 2jva n ALA 58 Ca -0.02 -1.69 -0.28 0.00 0.00 0.00 0.00 53.44 51.45 2jva n ALA 58 Cb 0.19 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2jva n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jva s LEU 59 N -2.08 3.82 -0.14 0.00 1.43 -0.75 -4.97 118.68 115.99 2jva s LEU 59 Ca 0.53 0.87 0.17 0.00 -1.03 0.00 0.00 54.13 54.67 2jva s LEU 59 Cb 0.35 -3.76 0.75 0.00 0.03 0.00 0.00 46.19 43.56 2jva s LEU 59 CO 0.23 -0.41 1.66 -3.20 0.23 0.00 0.00 176.35 174.86 2jva n ASN 60 N -1.68 5.01 -4.82 2.29 4.05 -1.26 -4.97 115.26 113.89 2jva n ASN 60 Ca -0.00 -2.57 -0.36 0.00 0.45 0.00 0.00 54.58 52.10 2jva n ASN 60 Cb 0.55 -0.61 -0.06 0.00 1.23 0.00 0.00 39.78 40.89 2jva n ASN 60 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jva s ASP 61 N -0.89 7.04 0.22 1.20 -1.08 -1.26 -4.69 116.67 117.20 2jva s ASP 61 Ca 0.52 1.38 0.25 0.00 -0.52 0.00 0.00 52.55 54.19 2jva s ASP 61 Cb 0.35 -2.41 0.88 0.00 -1.46 0.00 0.00 42.92 40.28 2jva s ASP 61 CO 0.23 0.05 1.76 -1.20 0.52 0.00 0.00 175.17 176.52 2jva n SER 62 N 0.77 0.75 0.22 -0.34 7.64 -1.26 -2.61 113.62 118.79 2jva n SER 62 Ca -0.03 0.60 0.08 0.00 1.01 0.00 0.00 58.87 60.54 2jva n SER 62 Cb 0.51 -0.79 0.52 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.00 0.00 -6.36 1.43 2.47 -1.97 -3.41 114.38 106.54 2jva h ARG 63 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 2jva h ARG 63 Cb 0.61 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.87 2jva h ARG 63 CO 0.00 0.24 0.91 0.42 0.56 0.00 0.00 179.97 182.10 2jva s ILE 64 N -4.03 4.31 0.25 2.04 -1.09 -1.07 -4.49 121.20 117.11 2jva s ILE 64 Ca -0.02 1.48 0.07 0.00 -2.23 0.00 0.00 60.65 59.95 2jva s ILE 64 Cb 0.13 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 2jva s ILE 64 CO 0.65 -0.52 0.16 0.42 -1.23 0.00 0.00 174.94 174.42 2jva s THR 65 N 4.06 4.30 0.22 2.92 -4.23 -1.26 -4.97 115.64 116.67 2jva s THR 65 Ca 0.51 -1.46 0.20 0.00 -1.18 0.00 0.00 61.69 59.76 2jva s THR 65 Cb -0.14 -3.31 0.17 0.00 1.34 0.00 0.00 72.50 70.56 2jva s THR 65 CO 0.20 -0.34 1.81 0.77 -0.54 0.00 0.00 174.62 176.52 2jva h SER 66 N 1.61 0.00 0.49 3.99 4.64 -1.95 -2.27 113.55 120.06 2jva h SER 66 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 2jva h SER 66 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2jva h SER 66 CO 0.61 0.31 -0.50 -0.78 -0.87 0.00 0.00 176.83 175.60 2jva h ASP 67 N 0.00 0.02 -0.38 4.97 3.58 -2.01 -3.47 116.42 119.13 2jva h ASP 67 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jva h ASP 67 Cb 0.77 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2jva h ASP 67 CO 0.04 0.52 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 2jva n GLY 68 N -0.08 1.01 2.89 -0.78 0.00 -0.85 -4.84 105.19 102.53 2jva n GLY 68 Ca -0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.01 -0.48 1.61 1.01 -1.26 -0.41 120.40 118.48 2jva s VAL 69 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2jva s VAL 69 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 36.38 36.33 2jva s VAL 69 CO 0.00 0.02 0.97 -0.63 0.00 0.00 0.00 175.10 175.46 2jva s ILE 70 N 0.27 4.40 -0.14 2.22 -1.09 0.12 -4.33 121.20 122.65 2jva s ILE 70 Ca -0.02 0.77 0.01 0.00 -2.23 0.00 0.00 60.65 59.18 2jva s ILE 70 Cb -0.03 -4.48 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 2jva s ILE 70 CO -0.01 -0.92 -0.18 -0.69 -1.23 0.00 0.00 174.94 171.92 2jva s VAL 71 N 3.93 2.47 0.12 2.92 1.01 -1.26 -0.70 120.40 128.88 2jva s VAL 71 Ca 0.38 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2jva s VAL 71 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2jva s VAL 71 CO 0.26 0.53 0.15 -1.48 0.00 0.00 0.00 175.10 174.56 2jva s LEU 72 N 0.69 1.54 -0.22 3.92 2.34 -0.74 -5.02 118.68 121.20 2jva s LEU 72 Ca -0.08 -0.92 -0.03 0.00 0.06 0.00 0.00 54.13 53.15 2jva s LEU 72 Cb -0.16 0.76 0.07 0.00 -0.56 0.00 0.00 46.19 46.30 2jva s LEU 72 CO 0.01 -0.76 0.08 -0.54 -1.06 0.00 0.00 176.35 174.08 2jva s LYS 73 N -3.95 0.39 -0.28 1.48 1.02 -1.26 -1.42 119.74 115.71 2jva s LYS 73 Ca 0.14 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 2jva s LYS 73 Cb 0.06 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 2jva s LYS 73 CO -0.04 -0.78 0.01 0.00 -0.92 0.00 0.00 175.35 173.62 2jva s ALA 74 N 1.96 2.88 -0.20 5.17 0.00 0.86 -4.86 121.76 127.57 2jva s ALA 74 Ca 0.03 -1.50 0.12 0.00 0.00 0.00 0.00 51.96 50.61 2jva s ALA 74 Cb -0.17 -1.93 0.42 0.00 0.00 0.00 0.00 23.12 21.44 2jva s ALA 74 CO -0.17 -0.93 1.22 0.94 0.00 0.00 0.00 175.76 176.82 2jva n GLN 75 N 4.75 1.56 -0.34 0.00 7.27 -1.26 -1.01 117.38 128.34 2jva n GLN 75 Ca -0.15 -3.26 0.02 0.00 0.07 0.00 0.00 57.00 53.68 2jva n GLN 75 Cb 0.47 -1.55 0.16 0.00 2.41 0.00 0.00 30.24 31.73 2jva n GLN 75 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2jva h GLN 76 N 1.03 1.05 -6.21 3.69 4.15 -1.92 -3.42 115.11 113.49 2jva h GLN 76 Ca -0.00 -0.06 -0.47 0.00 0.77 0.00 0.00 58.65 58.88 2jva h GLN 76 Cb 1.07 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 2jva h GLN 76 CO 0.03 0.70 -0.45 -0.47 -1.93 0.00 0.00 178.83 176.70 2jva s TYR 77 N -6.05 3.27 0.17 3.99 6.14 -1.26 -5.02 117.35 118.59 2jva s TYR 77 Ca -0.13 -0.09 -0.11 0.00 0.64 0.00 0.00 57.07 57.39 2jva s TYR 77 Cb 0.19 -1.59 0.07 0.00 0.42 0.00 0.00 41.96 41.05 2jva s TYR 77 CO 0.80 0.39 1.67 -0.09 0.64 0.00 0.00 175.55 178.97 2jva h ARG 78 N 1.23 0.96 -5.88 4.97 1.12 -1.97 -3.44 114.38 111.37 2jva h ARG 78 Ca -0.50 -0.24 -0.65 0.00 -1.11 0.00 0.00 59.98 57.48 2jva h ARG 78 Cb 1.24 -0.12 -0.07 0.00 -0.01 0.00 0.00 29.97 31.00 2jva h ARG 78 CO 0.60 0.89 -0.53 0.95 -3.11 0.00 0.00 179.97 178.77 2jva s THR 79 N -5.27 5.13 0.20 0.20 -4.23 -1.26 -4.81 115.64 105.60 2jva s THR 79 Ca -0.12 -0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 2jva s THR 79 Cb 0.13 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 2jva s THR 79 CO 0.82 0.36 1.57 -0.61 -0.54 0.00 0.00 174.62 176.22 2jva h GLN 80 N 4.02 0.66 -0.82 3.99 4.15 -1.85 -2.41 115.11 122.85 2jva h GLN 80 Ca -0.49 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 58.63 2jva h GLN 80 Cb 1.19 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 2jva h GLN 80 CO 0.65 0.94 0.54 0.93 -1.93 0.00 0.00 178.83 179.96 2jva h GLU 81 N 0.54 0.97 -0.05 1.69 3.07 -1.95 0.13 114.58 118.99 2jva h GLU 81 Ca 0.05 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.61 2jva h GLU 81 Cb 0.91 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2jva h GLU 81 CO 0.08 0.64 -0.94 1.96 -1.40 0.00 0.00 179.01 179.35 2jva h GLN 82 N 1.00 0.66 -0.99 2.33 1.08 -1.94 -2.99 115.11 114.26 2jva h GLN 82 Ca 0.33 -0.65 0.07 0.00 -1.45 0.00 0.00 58.65 56.95 2jva h GLN 82 Cb 0.07 0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 27.60 2jva h GLN 82 CO -0.10 1.25 0.64 -0.91 -0.95 0.00 0.00 178.83 178.76 2jva h ASN 83 N 0.40 1.00 0.39 1.46 2.35 -0.78 0.34 115.58 120.74 2jva h ASN 83 Ca -0.10 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2jva h ASN 83 Cb 1.58 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 2jva h ASN 83 CO 0.18 0.63 -0.39 -0.09 -1.65 0.00 0.00 177.43 176.11 2jva h ARG 84 N 1.13 -0.77 -0.19 0.81 2.43 -0.70 0.17 114.38 117.26 2jva h ARG 84 Ca 0.44 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.53 2jva h ARG 84 Cb 0.22 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2jva h ARG 84 CO -0.18 -0.51 -0.43 0.00 -1.51 0.00 0.00 179.97 177.33 2jva h ALA 85 N -0.40 0.91 0.27 2.80 0.00 -1.33 -2.73 119.26 118.78 2jva h ALA 85 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2jva h ALA 85 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jva h ALA 85 CO -0.06 0.64 -0.13 0.22 0.00 0.00 0.00 179.25 179.92 2jva h ASP 86 N 0.37 -0.31 -0.42 0.00 1.82 -0.19 -1.70 116.42 115.99 2jva h ASP 86 Ca 0.03 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2jva h ASP 86 Cb 0.91 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.98 2jva h ASP 86 CO 0.08 -0.09 0.26 0.00 -1.61 0.00 0.00 179.24 177.88 2jva h ALA 87 N 0.18 0.53 -0.43 -0.78 0.00 -0.97 -1.81 119.26 115.98 2jva h ALA 87 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jva h ALA 87 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jva h ALA 87 CO 0.06 0.00 0.12 -0.07 0.00 0.00 0.00 179.25 179.36 2jva h LEU 88 N 0.56 0.59 0.23 0.00 3.38 -1.47 0.91 115.31 119.51 2jva h LEU 88 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jva h LEU 88 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2jva h LEU 88 CO -0.03 0.58 -0.11 0.25 0.09 0.00 0.00 178.44 179.22 2jva h LEU 89 N 0.63 -0.26 -1.34 1.67 7.12 -0.82 -1.91 115.31 120.38 2jva h LEU 89 Ca 0.15 -0.18 -0.07 0.00 0.13 0.00 0.00 57.88 57.91 2jva h LEU 89 Cb 0.22 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2jva h LEU 89 CO -0.01 0.04 -0.32 0.03 -0.13 0.00 0.00 178.44 178.06 2jva h ARG 90 N -0.59 0.00 0.08 1.25 3.08 -1.13 0.48 114.38 117.55 2jva h ARG 90 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2jva h ARG 90 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2jva h ARG 90 CO 0.05 0.32 -0.04 1.25 -1.07 0.00 0.00 179.97 180.48 2jva h LEU 91 N 0.00 -0.09 -0.94 3.04 7.12 -0.72 0.21 115.31 123.93 2jva h LEU 91 Ca -0.00 -0.07 -0.07 0.00 0.13 0.00 0.00 57.88 57.86 2jva h LEU 91 Cb 0.62 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 2jva h LEU 91 CO 0.04 0.01 -0.03 -1.28 -0.13 0.00 0.00 178.44 177.05 2jva h SER 92 N -0.19 0.71 -0.18 1.25 0.87 -0.81 -2.46 113.55 112.74 2jva h SER 92 Ca -0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2jva h SER 92 Cb 0.15 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2jva h SER 92 CO 0.02 0.80 0.07 -0.08 -0.53 0.00 0.00 176.83 177.11 2jva h GLU 93 N 0.69 0.26 -0.96 2.24 4.22 -0.70 -2.94 114.58 117.39 2jva h GLU 93 Ca 0.13 -0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.60 2jva h GLU 93 Cb 0.47 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2jva h GLU 93 CO 0.02 0.33 0.61 1.25 -2.18 0.00 0.00 179.01 179.04 2jva h LEU 94 N 0.14 0.95 -0.26 1.64 7.12 -0.30 0.81 115.31 125.41 2jva h LEU 94 Ca 0.06 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.13 2jva h LEU 94 Cb 0.16 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.07 2jva h LEU 94 CO -0.01 0.59 0.03 0.40 -0.13 0.00 0.00 178.44 179.33 2jva h ILE 95 N 1.08 0.85 0.01 4.05 2.04 -1.28 0.42 117.51 124.69 2jva h ILE 95 Ca 0.43 -0.04 -0.22 0.00 1.00 0.00 0.00 64.86 66.03 2jva h ILE 95 Cb 0.23 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2jva h ILE 95 CO -0.19 0.02 -0.94 0.58 0.00 0.00 0.00 178.15 177.62 2jva h VAL 96 N 0.13 1.46 -0.00 1.67 2.07 -1.24 -3.27 116.25 117.07 2jva h VAL 96 Ca 0.12 -2.61 0.03 0.00 0.82 0.00 0.00 66.70 65.07 2jva h VAL 96 Cb 0.14 2.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2jva h VAL 96 CO -0.18 0.77 -0.29 -1.13 0.02 0.00 0.00 177.57 176.75 2jva h ASN 97 N 0.15 -0.88 -0.52 0.57 -0.73 0.11 -1.69 115.58 112.59 2jva h ASN 97 Ca -0.07 0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.32 2jva h ASN 97 Cb 1.59 0.36 -0.03 0.00 0.27 0.00 0.00 38.32 40.50 2jva h ASN 97 CO 0.15 -0.36 0.36 0.00 -0.37 0.00 0.00 177.43 177.21 2jva h ALA 98 N 0.33 2.14 0.00 1.57 0.00 -1.00 0.04 119.26 122.33 2jva h ALA 98 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jva h ALA 98 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jva h ALA 98 CO -0.25 -0.26 -0.24 0.00 0.00 0.00 0.00 179.25 178.50 2jva h ALA 99 N 1.74 0.99 0.00 0.00 0.00 -1.37 -3.08 119.26 117.54 2jva h ALA 99 Ca 0.24 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2jva h ALA 99 Cb 0.61 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2jva h ALA 99 CO -0.05 0.30 -1.11 0.87 0.00 0.00 0.00 179.25 179.26 2jva h LYS 100 N 0.00 0.00 -6.22 0.00 1.57 -0.59 -3.43 116.57 107.90 2jva h LYS 100 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2jva h LYS 100 Cb 0.80 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.04 2jva h LYS 100 CO 0.03 0.47 0.72 -0.51 -0.57 0.00 0.00 179.45 179.59 2jva s LEU 101 N -6.14 3.94 -0.05 2.94 1.02 -1.05 -4.93 118.68 114.41 2jva s LEU 101 Ca -0.00 0.76 -0.03 0.00 0.02 0.00 0.00 54.13 54.88 2jva s LEU 101 Cb 0.08 -3.39 -0.01 0.00 0.02 0.00 0.00 46.19 42.89 2jva s LEU 101 CO 0.79 -0.89 -0.05 -0.08 0.02 0.00 0.00 176.35 176.14 2jva h GLU 102 N 8.37 0.00 -2.88 1.70 4.57 -1.85 -3.45 114.58 121.04 2jva h GLU 102 Ca -0.22 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.35 2jva h GLU 102 Cb 1.07 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.26 2jva h GLU 102 CO 1.01 0.00 -0.73 -1.58 -1.18 0.00 0.00 179.01 176.53 2jva s HIS 103 N -1.41 2.48 -0.10 0.92 2.46 -1.26 -5.06 115.29 113.32 2jva s HIS 103 Ca -0.04 -2.83 -0.03 0.00 0.47 0.00 0.00 55.06 52.63 2jva s HIS 103 Cb 0.01 -2.03 0.04 0.00 -0.13 0.00 0.00 32.58 30.47 2jva s HIS 103 CO 0.06 -0.69 0.07 -1.01 -2.47 0.00 0.00 174.74 170.70 2jva s HIS 104 N -0.52 0.18 0.44 3.88 3.76 -1.26 -5.14 115.29 116.63 2jva s HIS 104 Ca 0.25 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2jva s HIS 104 Cb -0.09 -0.60 -0.00 0.00 1.11 0.00 0.00 32.58 33.01 2jva s HIS 104 CO -0.12 -0.33 0.65 -1.01 -0.85 0.00 0.00 174.74 173.08 2jva s HIS 105 N 2.14 3.16 -0.19 1.40 3.76 -1.26 -4.66 115.29 119.64 2jva s HIS 105 Ca 0.04 0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 55.04 2jva s HIS 105 Cb -0.14 -2.31 0.02 0.00 1.11 0.00 0.00 32.58 31.26 2jva s HIS 105 CO -0.06 -0.36 0.09 1.58 -0.85 0.00 0.00 174.74 175.14 2jva n HIS 106 N -2.04 -3.15 -0.00 1.40 -0.00 -1.26 -4.99 115.22 105.18 2jva n HIS 106 Ca 0.02 1.61 0.00 0.00 -0.00 0.00 0.00 57.72 59.35 2jva n HIS 106 Cb 0.58 -3.35 0.00 0.00 -0.00 0.00 0.00 29.99 27.22 2jva n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jva n HIS 107 N 0.86 0.00 -0.46 1.57 -0.00 -1.26 -5.12 115.22 110.81 2jva n HIS 107 Ca -0.14 -0.34 0.00 0.00 -0.00 0.00 0.00 57.72 57.23 2jva n HIS 107 Cb 0.22 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 2jva n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06