#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 4.40 -0.47 -0.89 2.96 0.41 -4.88 118.68 120.21 2jva s LEU 2 Ca 0.00 -1.00 -0.26 0.00 -0.22 0.00 0.00 54.13 52.65 2jva s LEU 2 Cb 0.00 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.30 2jva s LEU 2 CO 0.00 -1.44 0.96 -0.69 -1.32 0.00 0.00 176.35 173.86 2jva s VAL 3 N 4.05 4.42 -0.02 1.68 1.01 -1.26 -0.32 120.40 129.95 2jva s VAL 3 Ca 0.22 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.81 2jva s VAL 3 Cb -0.17 -4.47 -0.33 0.00 0.00 0.00 0.00 36.38 31.42 2jva s VAL 3 CO 0.10 -0.88 0.93 0.40 0.00 0.00 0.00 175.10 175.66 2jva h ILE 4 N 6.11 1.44 -3.71 2.22 2.04 -1.69 -3.48 117.51 120.44 2jva h ILE 4 Ca -0.24 -2.58 -0.10 0.00 1.00 0.00 0.00 64.86 62.94 2jva h ILE 4 Cb 1.07 3.14 -0.08 0.00 -0.74 0.00 0.00 36.82 40.21 2jva h ILE 4 CO 1.05 0.75 -0.11 -0.44 0.00 0.00 0.00 178.15 179.39 2jva s SER 5 N -7.17 0.13 0.26 1.72 0.01 -1.09 -4.99 113.70 102.57 2jva s SER 5 Ca -0.12 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.03 2jva s SER 5 Cb 0.02 0.62 0.54 0.00 0.21 0.00 0.00 66.02 67.41 2jva s SER 5 CO 0.87 -1.21 1.63 0.78 0.41 0.00 0.00 173.24 175.72 2jva h ASN 6 N 2.21 -0.26 -0.47 2.44 4.21 -2.03 -0.29 115.58 121.39 2jva h ASN 6 Ca -0.27 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2jva h ASN 6 Cb 1.25 0.33 0.00 0.00 -1.12 0.00 0.00 38.32 38.78 2jva h ASN 6 CO 0.37 -0.18 0.00 0.59 -1.29 0.00 0.00 177.43 176.91 2jva n ASN 7 N -5.32 3.88 -4.00 5.81 4.13 -1.26 -4.87 115.26 113.63 2jva n ASN 7 Ca 0.16 -2.37 -0.30 0.00 1.68 0.00 0.00 54.58 53.75 2jva n ASN 7 Cb 0.55 -0.44 -0.16 0.00 -1.54 0.00 0.00 39.78 38.18 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 -1.69 1.58 -0.03 2.41 1.01 -0.12 -4.91 120.40 118.66 2jva s VAL 8 Ca 0.39 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2jva s VAL 8 Cb 0.25 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2jva s VAL 8 CO 0.19 0.32 -0.10 -1.00 0.00 0.00 0.00 175.10 174.51 2jva s HIS 9 N 1.46 1.05 -0.36 5.22 3.76 -1.26 -1.63 115.29 123.52 2jva s HIS 9 Ca 0.02 -0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 54.63 2jva s HIS 9 Cb -0.14 -0.74 0.08 0.00 1.11 0.00 0.00 32.58 32.89 2jva s HIS 9 CO -0.09 -0.11 0.13 -0.51 -0.85 0.00 0.00 174.74 173.30 2jva s LEU 10 N 0.17 4.70 0.51 0.89 1.43 0.56 -4.74 118.68 122.20 2jva s LEU 10 Ca -0.03 -1.66 -0.22 0.00 -1.03 0.00 0.00 54.13 51.18 2jva s LEU 10 Cb -0.09 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 2jva s LEU 10 CO 0.01 -0.42 1.25 -2.65 0.23 0.00 0.00 176.35 174.77 2jva n PRO 11 N 4.64 1.63 -0.34 1.29 -0.02 -1.26 -0.44 135.00 140.49 2jva n PRO 11 Ca -0.07 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.04 2jva n PRO 11 Cb 0.42 -2.43 0.19 0.00 -0.02 0.00 0.00 33.50 31.66 2jva n PRO 11 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jva h ASP 12 N 1.49 0.89 0.21 2.55 5.19 -1.95 -1.14 116.42 123.67 2jva h ASP 12 Ca -0.49 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 2jva h ASP 12 Cb 1.31 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 2jva h ASP 12 CO 0.57 0.53 -0.21 0.00 -3.12 0.00 0.00 179.24 177.01 2jva h ALA 13 N 1.47 1.64 -0.09 3.45 0.00 -2.05 -2.71 119.26 120.97 2jva h ALA 13 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jva h ALA 13 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jva h ALA 13 CO -0.22 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2jva n GLU 14 N -4.27 1.67 -3.35 0.00 1.02 -0.44 -4.63 120.64 110.63 2jva n GLU 14 Ca -0.02 -0.99 -0.45 0.00 -0.02 0.00 0.00 57.16 55.67 2jva n GLU 14 Cb 0.27 -1.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.89 5.20 -0.62 -3.67 1.01 -1.03 -4.68 121.20 115.52 2jva s ILE 15 Ca 0.35 -1.30 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 2jva s ILE 15 Cb 0.19 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.47 2jva s ILE 15 CO 0.30 -0.73 1.14 -0.70 0.00 0.00 0.00 174.94 174.95 2jva s GLU 16 N 1.61 3.37 -0.11 2.79 2.56 -1.06 -4.99 118.70 122.87 2jva s GLU 16 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.97 54.94 2jva s GLU 16 Cb -0.27 -4.08 -0.03 0.00 2.00 0.00 0.00 34.13 31.76 2jva s GLU 16 CO 0.05 -1.75 -0.06 -0.51 -0.56 0.00 0.00 175.26 172.42 2jva s LEU 17 N 4.85 3.14 0.05 2.70 1.43 -1.26 -0.93 118.68 128.65 2jva s LEU 17 Ca 0.37 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2jva s LEU 17 Cb -0.09 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2jva s LEU 17 CO 0.21 0.26 -0.04 0.42 0.23 0.00 0.00 176.35 177.42 2jva s THR 18 N -0.19 0.30 -0.11 5.49 -4.23 0.70 -5.01 115.64 112.59 2jva s THR 18 Ca 0.02 -1.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 2jva s THR 18 Cb -0.13 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.62 2jva s THR 18 CO 0.03 -0.78 -0.21 0.00 -0.54 0.00 0.00 174.62 173.12 2jva s ALA 19 N -2.92 2.05 -0.40 3.99 0.00 -1.26 0.46 121.76 123.67 2jva s ALA 19 Ca -0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 2jva s ALA 19 Cb 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2jva s ALA 19 CO -0.06 0.12 0.73 0.42 0.00 0.00 0.00 175.76 176.98 2jva s ILE 20 N 0.61 4.75 0.58 0.00 1.01 0.84 -4.94 121.20 124.05 2jva s ILE 20 Ca -0.13 0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.93 2jva s ILE 20 Cb -0.17 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2jva s ILE 20 CO 0.04 -0.52 1.03 -0.13 0.00 0.00 0.00 174.94 175.36 2jva s ARG 21 N 3.04 3.50 -0.28 2.79 0.52 -1.26 -4.34 118.95 122.92 2jva s ARG 21 Ca 0.28 1.10 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 2jva s ARG 21 Cb -0.13 -2.06 0.06 0.00 0.52 0.00 0.00 34.95 33.33 2jva s ARG 21 CO 0.19 -0.65 -0.05 0.00 0.02 0.00 0.00 175.30 174.80 2jva s ALA 22 N -2.57 2.70 -0.05 2.13 0.00 -1.26 -5.02 121.76 117.69 2jva s ALA 22 Ca 0.61 -1.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 2jva s ALA 22 Cb -0.14 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 2jva s ALA 22 CO 0.37 -1.26 0.26 -0.65 0.00 0.00 0.00 175.76 174.47 2jva s GLN 23 N 1.16 3.62 -0.08 0.00 -0.21 -1.26 -4.84 119.66 118.04 2jva s GLN 23 Ca -0.06 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.37 2jva s GLN 23 Cb -0.20 -3.17 0.02 0.00 1.00 0.00 0.00 33.01 30.66 2jva s GLN 23 CO -0.03 0.72 -0.08 0.20 -2.12 0.00 0.00 175.29 173.97 2jva s GLY 24 N -1.22 0.73 0.22 3.09 0.00 -1.26 -5.13 107.32 103.74 2jva s GLY 24 Ca 0.21 -0.39 0.11 0.00 0.00 0.00 0.00 44.72 44.64 2jva s GLY 24 CO 0.10 0.55 -0.17 0.00 0.00 0.00 0.00 173.10 173.58 2jva s ALA 25 N 1.26 2.77 0.00 3.20 0.00 -1.26 -4.98 121.76 122.74 2jva s ALA 25 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2jva s ALA 25 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2jva s ALA 25 CO -0.03 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2jva n GLY 26 N -0.13 0.51 2.57 0.00 0.00 -1.26 -4.67 105.19 102.21 2jva n GLY 26 Ca -0.10 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 3.64 3.36 -0.02 0.00 -1.26 -5.07 105.19 105.84 2jva n GLY 27 Ca 0.00 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 2jva n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jva s GLN 28 N -3.34 1.35 -0.46 1.61 2.00 -1.26 -5.07 119.66 114.50 2jva s GLN 28 Ca 0.37 -1.49 -0.28 0.00 -2.00 0.00 0.00 55.36 51.96 2jva s GLN 28 Cb 0.43 -1.39 -0.02 0.00 0.80 0.00 0.00 33.01 32.83 2jva s GLN 28 CO -0.07 0.27 1.82 1.21 -0.50 0.00 0.00 175.29 178.02 2jva s ASN 29 N -2.88 5.62 -0.43 6.67 3.04 -1.26 -4.91 114.94 120.79 2jva s ASN 29 Ca 0.19 0.87 0.02 0.00 0.04 0.00 0.00 52.86 53.98 2jva s ASN 29 Cb -0.05 -2.53 0.14 0.00 -1.54 0.00 0.00 41.25 37.27 2jva s ASN 29 CO 0.08 -2.00 0.24 0.68 -3.04 0.00 0.00 177.10 173.06 2jva s VAL 30 N 7.86 1.18 -0.04 -5.21 -7.23 -1.26 -4.93 120.40 110.77 2jva s VAL 30 Ca 0.74 -2.43 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2jva s VAL 30 Cb -0.18 -1.83 0.10 0.00 0.56 0.00 0.00 36.38 35.03 2jva s VAL 30 CO 0.28 -0.92 0.99 -3.20 -0.31 0.00 0.00 175.10 171.94 2jva n ASN 31 N 3.60 0.95 -4.70 4.85 2.85 -1.26 -4.88 115.26 116.67 2jva n ASN 31 Ca 0.10 -2.23 -0.35 0.00 -0.11 0.00 0.00 54.58 51.98 2jva n ASN 31 Cb 0.35 -0.23 -0.09 0.00 1.24 0.00 0.00 39.78 41.05 2jva n ASN 31 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2jva s LYS 32 N -1.04 3.06 -0.14 1.20 2.20 -1.26 -4.99 119.74 118.76 2jva s LYS 32 Ca 0.11 -0.38 0.04 0.00 -0.36 0.00 0.00 55.97 55.38 2jva s LYS 32 Cb 0.09 -2.84 0.33 0.00 -1.51 0.00 0.00 37.83 33.90 2jva s LYS 32 CO 0.01 0.70 1.20 1.55 -0.36 0.00 0.00 175.35 178.45 2jva n VAL 33 N 2.16 1.53 -1.19 4.02 3.14 -1.26 -4.75 118.33 121.98 2jva n VAL 33 Ca -0.19 -0.71 0.15 0.00 -2.96 0.00 0.00 64.34 60.63 2jva n VAL 33 Cb 0.54 -0.55 -0.06 0.00 -1.06 0.00 0.00 33.84 32.70 2jva n VAL 33 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2jva n SER 34 N 0.07 -6.97 0.00 6.55 2.88 -1.26 -4.67 113.62 110.22 2jva n SER 34 Ca 0.18 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2jva n SER 34 Cb 0.81 -3.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.38 2jva n SER 34 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jva n SER 35 N -3.98 0.46 -4.54 -3.46 7.64 -1.26 -4.70 113.62 103.79 2jva n SER 35 Ca -0.04 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.22 2jva n SER 35 Cb 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.20 2.93 -0.03 -0.43 0.00 -1.26 -4.51 121.76 118.27 2jva s ALA 36 Ca 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 2jva s ALA 36 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 2jva s ALA 36 CO 0.00 -2.91 0.28 -1.64 0.00 0.00 0.00 175.76 171.50 2jva s MET 37 N 5.03 3.66 -0.13 0.00 -1.94 0.07 -0.11 119.30 125.88 2jva s MET 37 Ca 0.35 0.10 0.03 0.00 -1.71 0.00 0.00 55.69 54.45 2jva s MET 37 Cb -0.10 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.59 2jva s MET 37 CO 0.18 0.70 -0.21 -1.58 -0.01 0.00 0.00 175.02 174.10 2jva s HIS 38 N -1.14 2.66 -0.07 -0.03 2.46 0.17 0.81 115.29 120.15 2jva s HIS 38 Ca 0.22 -1.18 0.03 0.00 0.47 0.00 0.00 55.06 54.61 2jva s HIS 38 Cb -0.14 -1.79 -0.02 0.00 -0.13 0.00 0.00 32.58 30.50 2jva s HIS 38 CO 0.11 -0.51 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.20 2jva s LEU 39 N 0.64 2.59 -0.11 8.88 1.02 -0.33 -0.21 118.68 131.15 2jva s LEU 39 Ca -0.11 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 53.76 2jva s LEU 39 Cb -0.16 -1.53 0.02 0.00 0.02 0.00 0.00 46.19 44.54 2jva s LEU 39 CO 0.02 0.29 -0.13 -0.60 0.02 0.00 0.00 176.35 175.94 2jva s ARG 40 N -0.38 2.04 -0.33 1.70 3.52 -0.11 -1.64 118.95 123.76 2jva s ARG 40 Ca 0.04 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 2jva s ARG 40 Cb -0.12 -1.80 0.10 0.00 -1.56 0.00 0.00 34.95 31.57 2jva s ARG 40 CO 0.02 -0.10 0.05 0.12 -0.81 0.00 0.00 175.30 174.57 2jva s PHE 41 N 1.12 3.58 -0.85 5.12 5.36 0.10 -2.57 117.98 129.84 2jva s PHE 41 Ca -0.04 -2.87 -0.25 0.00 -0.96 0.00 0.00 56.93 52.80 2jva s PHE 41 Cb -0.14 -2.78 -0.02 0.00 -0.34 0.00 0.00 43.02 39.73 2jva s PHE 41 CO -0.03 -0.94 1.82 -0.51 -1.46 0.00 0.00 175.22 174.10 2jva s ASP 42 N 0.97 5.43 0.34 6.13 1.11 -1.26 0.20 116.67 129.59 2jva s ASP 42 Ca 0.10 -0.56 0.04 0.00 0.18 0.00 0.00 52.55 52.31 2jva s ASP 42 Cb -0.19 -2.55 0.67 0.00 1.07 0.00 0.00 42.92 41.92 2jva s ASP 42 CO -0.09 -2.43 1.94 0.40 1.18 0.00 0.00 175.17 176.17 2jva h ILE 43 N 7.04 1.03 -0.24 0.77 2.04 -1.02 0.12 117.51 127.26 2jva h ILE 43 Ca 0.01 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2jva h ILE 43 Cb 1.04 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2jva h ILE 43 CO 1.25 0.16 -0.16 -1.13 0.00 0.00 0.00 178.15 178.27 2jva h ASN 44 N 0.85 0.56 1.14 1.72 -0.73 -1.42 -3.32 115.58 114.38 2jva h ASN 44 Ca 0.34 -0.43 -0.07 0.00 1.87 0.00 0.00 56.30 58.00 2jva h ASN 44 Cb 0.25 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2jva h ASN 44 CO -0.12 0.87 -0.89 0.00 -0.37 0.00 0.00 177.43 176.92 2jva h ALA 45 N 0.70 0.66 -2.26 1.57 0.00 -1.70 -3.47 119.26 114.76 2jva h ALA 45 Ca 0.05 -0.36 -0.50 0.00 0.00 0.00 0.00 54.91 54.10 2jva h ALA 45 Cb 0.68 0.08 0.19 0.00 0.00 0.00 0.00 17.79 18.74 2jva h ALA 45 CO 0.04 0.41 0.19 -1.54 0.00 0.00 0.00 179.25 178.36 2jva s SER 46 N -5.83 2.72 -0.13 0.00 1.04 0.38 -4.90 113.70 106.99 2jva s SER 46 Ca 0.01 2.01 0.04 0.00 0.48 0.00 0.00 55.95 58.49 2jva s SER 46 Cb 0.08 -2.50 0.32 0.00 0.10 0.00 0.00 66.02 64.02 2jva s SER 46 CO 0.77 -3.19 1.14 -1.54 0.98 0.00 0.00 173.24 171.39 2jva n SER 47 N -4.28 3.09 -4.77 7.02 3.41 -1.26 -4.93 113.62 111.89 2jva n SER 47 Ca 0.10 -2.48 -0.36 0.00 -0.26 0.00 0.00 58.87 55.87 2jva n SER 47 Cb 0.53 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2jva n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jva s LEU 48 N -1.22 3.86 0.41 1.04 1.43 -1.26 -4.93 118.68 118.01 2jva s LEU 48 Ca 0.23 2.30 -0.27 0.00 -1.03 0.00 0.00 54.13 55.36 2jva s LEU 48 Cb 0.18 -4.41 -0.10 0.00 0.03 0.00 0.00 46.19 41.89 2jva s LEU 48 CO 0.06 -1.15 1.46 -2.84 0.23 0.00 0.00 176.35 174.11 2jva s PRO 49 N -3.00 3.91 0.33 1.29 0.02 -1.26 -4.82 135.00 131.48 2jva s PRO 49 Ca 0.69 2.51 0.09 0.00 0.02 0.00 0.00 61.00 64.32 2jva s PRO 49 Cb -0.28 -2.82 0.84 0.00 0.02 0.00 0.00 34.50 32.26 2jva s PRO 49 CO 0.33 -0.67 1.79 -1.00 -0.33 0.00 0.00 177.00 177.11 2jva h PRO 50 N 2.68 0.64 -0.30 5.54 0.13 -1.98 -1.40 132.00 137.31 2jva h PRO 50 Ca -0.51 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2jva h PRO 50 Cb 1.25 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2jva h PRO 50 CO 0.63 0.42 0.00 0.35 -0.23 0.00 0.00 178.00 179.17 2jva h PHE 51 N 0.66 -0.01 -0.22 1.56 3.57 -2.00 0.58 116.94 121.08 2jva h PHE 51 Ca 0.57 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.93 2jva h PHE 51 Cb 1.03 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2jva h PHE 51 CO -0.00 -0.05 -0.51 1.88 -2.23 0.00 0.00 178.31 177.39 2jva h TYR 52 N 0.09 0.75 -0.85 0.41 0.05 -1.66 -2.89 116.97 112.87 2jva h TYR 52 Ca 0.14 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.70 2jva h TYR 52 Cb 0.19 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 2jva h TYR 52 CO -0.22 0.99 0.55 0.87 -1.05 0.00 0.00 178.16 179.30 2jva h LYS 53 N 0.47 1.05 -0.41 4.88 1.57 -0.74 -1.30 116.57 122.10 2jva h LYS 53 Ca 0.02 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2jva h LYS 53 Cb 1.06 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2jva h LYS 53 CO 0.10 0.69 0.26 0.93 -0.57 0.00 0.00 179.45 180.87 2jva h GLU 54 N 1.08 0.52 -0.53 3.15 5.08 -0.71 0.46 114.58 123.63 2jva h GLU 54 Ca 0.34 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 2jva h GLU 54 Cb -0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2jva h GLU 54 CO -0.11 0.34 0.21 0.00 -1.00 0.00 0.00 179.01 178.46 2jva h ARG 55 N 0.54 0.76 -0.06 2.33 2.47 -1.26 0.17 114.38 119.32 2jva h ARG 55 Ca 0.15 -0.11 -0.09 0.00 -1.26 0.00 0.00 59.98 58.68 2jva h ARG 55 Cb -0.05 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 2jva h ARG 55 CO -0.04 0.63 -0.29 -0.07 0.56 0.00 0.00 179.97 180.75 2jva h LEU 56 N 0.75 0.37 -0.89 3.04 3.38 -0.61 -2.78 115.31 118.57 2jva h LEU 56 Ca 0.18 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2jva h LEU 56 Cb 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2jva h LEU 56 CO -0.02 0.96 0.29 -0.07 0.09 0.00 0.00 178.44 179.69 2jva h LEU 57 N -0.20 1.02 -4.48 1.67 3.38 0.10 -2.79 115.31 114.01 2jva h LEU 57 Ca -0.02 -0.15 -0.71 0.00 0.09 0.00 0.00 57.88 57.09 2jva h LEU 57 Cb 0.95 -0.26 -0.30 0.00 0.09 0.00 0.00 40.66 41.13 2jva h LEU 57 CO 0.06 0.90 0.73 0.00 0.09 0.00 0.00 178.44 180.23 2jva n ALA 58 N -2.44 6.25 -1.70 1.53 0.00 0.57 -4.98 120.51 119.75 2jva n ALA 58 Ca 0.07 -3.86 -0.07 0.00 0.00 0.00 0.00 53.44 49.58 2jva n ALA 58 Cb 0.18 -1.69 0.06 0.00 0.00 0.00 0.00 19.45 18.00 2jva n ALA 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jva n LEU 59 N -0.70 0.00 -0.51 0.00 4.77 -1.05 -4.63 117.00 114.88 2jva n LEU 59 Ca 0.56 -0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 2jva n LEU 59 Cb 0.48 -0.29 0.17 0.00 -2.33 0.00 0.00 43.42 41.46 2jva n LEU 59 CO 0.61 -0.75 0.63 -3.20 -1.33 0.00 0.00 177.39 173.34 2jva n ASN 60 N -3.16 3.02 -4.74 -1.43 5.15 -1.26 -4.99 115.26 107.85 2jva n ASN 60 Ca 0.05 -2.66 -0.25 0.00 -0.60 0.00 0.00 54.58 51.12 2jva n ASN 60 Cb 0.19 -0.37 0.09 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.82 4.48 -0.00 1.20 2.15 -1.26 -5.03 116.67 116.39 2jva s ASP 61 Ca 0.29 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.44 2jva s ASP 61 Cb 0.23 -0.67 -0.00 0.00 -0.30 0.00 0.00 42.92 42.17 2jva s ASP 61 CO 0.08 -1.79 0.01 -1.20 -0.17 0.00 0.00 175.17 172.09 2jva n SER 62 N -2.96 3.40 0.03 -0.34 7.64 -1.26 -4.60 113.62 115.53 2jva n SER 62 Ca 0.11 -0.16 0.11 0.00 1.01 0.00 0.00 58.87 59.94 2jva n SER 62 Cb 0.60 1.01 0.02 0.00 -1.01 0.00 0.00 64.21 64.83 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 -1.35 0.31 -1.67 1.43 1.74 -1.26 -4.80 116.66 111.06 2jva n ARG 63 Ca -0.00 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2jva n ARG 63 Cb 0.01 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.21 3.07 0.65 0.55 1.01 -1.26 -4.33 121.20 117.67 2jva s ILE 64 Ca 0.03 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 2jva s ILE 64 Cb 0.14 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 2jva s ILE 64 CO 0.80 -0.03 1.04 -0.89 0.00 0.00 0.00 174.94 175.87 2jva s THR 65 N 6.51 4.11 -1.95 2.92 2.01 -0.40 -4.95 115.64 123.90 2jva s THR 65 Ca 0.93 0.63 0.08 0.00 0.31 0.00 0.00 61.69 63.64 2jva s THR 65 Cb -0.36 -3.67 0.22 0.00 0.01 0.00 0.00 72.50 68.70 2jva s THR 65 CO 0.37 -0.87 1.17 -1.20 -0.69 0.00 0.00 174.62 173.41 2jva n SER 66 N -2.84 1.40 -0.64 3.53 7.64 -1.26 -2.15 113.62 119.30 2jva n SER 66 Ca 0.06 -2.01 0.08 0.00 1.01 0.00 0.00 58.87 58.01 2jva n SER 66 Cb 0.56 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.64 2jva n SER 66 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jva n ASP 67 N 0.23 2.34 -0.47 6.43 2.03 -1.26 -4.99 116.55 120.87 2jva n ASP 67 Ca 0.08 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.73 2jva n ASP 67 Cb 0.23 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2jva n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jva n GLY 68 N 0.89 0.64 2.86 0.27 0.00 -0.91 -4.62 105.19 104.32 2jva n GLY 68 Ca 0.09 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.01 0.14 -0.15 1.61 1.01 -1.23 -0.31 120.40 119.46 2jva s VAL 69 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2jva s VAL 69 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2jva s VAL 69 CO 0.00 0.09 0.22 -0.63 0.00 0.00 0.00 175.10 174.77 2jva s ILE 70 N 0.45 5.36 -0.05 2.22 -1.09 0.13 -1.27 121.20 126.95 2jva s ILE 70 Ca -0.04 0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.78 2jva s ILE 70 Cb -0.07 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2jva s ILE 70 CO -0.01 0.47 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.42 2jva s VAL 71 N -0.03 0.66 0.12 2.92 1.01 -1.26 0.02 120.40 123.84 2jva s VAL 71 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2jva s VAL 71 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2jva s VAL 71 CO 0.03 0.25 0.09 -0.76 0.00 0.00 0.00 175.10 174.71 2jva s LEU 72 N 0.84 1.71 -0.22 3.92 1.02 -0.65 -4.89 118.68 120.41 2jva s LEU 72 Ca -0.12 -1.10 -0.04 0.00 0.02 0.00 0.00 54.13 52.89 2jva s LEU 72 Cb -0.15 0.47 0.09 0.00 0.02 0.00 0.00 46.19 46.62 2jva s LEU 72 CO 0.01 -0.74 0.17 -1.59 0.02 0.00 0.00 176.35 174.22 2jva s LYS 73 N -4.01 0.17 -0.60 1.70 -2.85 -1.26 -1.19 119.74 111.69 2jva s LYS 73 Ca 0.20 -0.10 -0.22 0.00 -1.00 0.00 0.00 55.97 54.85 2jva s LYS 73 Cb 0.07 -1.33 0.07 0.00 -2.06 0.00 0.00 37.83 34.58 2jva s LYS 73 CO -0.01 -0.79 0.86 0.00 0.10 0.00 0.00 175.35 175.52 2jva s ALA 74 N 2.22 3.21 -0.33 0.59 0.00 0.24 -4.82 121.76 122.86 2jva s ALA 74 Ca 0.06 -1.77 0.15 0.00 0.00 0.00 0.00 51.96 50.40 2jva s ALA 74 Cb -0.16 -3.70 0.46 0.00 0.00 0.00 0.00 23.12 19.72 2jva s ALA 74 CO -0.20 -2.51 1.05 0.00 0.00 0.00 0.00 175.76 174.10 2jva n GLN 75 N 7.20 2.11 -0.08 0.00 10.64 -1.26 -0.75 117.38 135.24 2jva n GLN 75 Ca -0.04 -3.72 -0.13 0.00 -1.83 0.00 0.00 57.00 51.28 2jva n GLN 75 Cb 0.45 -1.69 -0.07 0.00 -0.86 0.00 0.00 30.24 28.08 2jva n GLN 75 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2jva n GLN 76 N -0.35 0.37 -2.65 2.61 -0.06 -1.26 -4.96 117.38 111.07 2jva n GLN 76 Ca 0.20 0.11 -0.22 0.00 -2.00 0.00 0.00 57.00 55.09 2jva n GLN 76 Cb 0.79 -1.23 0.03 0.00 -4.06 0.00 0.00 30.24 25.78 2jva n GLN 76 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 2jva s TYR 77 N -2.30 2.94 0.10 3.69 6.14 -1.26 -5.02 117.35 121.64 2jva s TYR 77 Ca -0.21 0.09 -0.15 0.00 0.64 0.00 0.00 57.07 57.44 2jva s TYR 77 Cb 0.06 -2.72 -0.07 0.00 0.42 0.00 0.00 41.96 39.66 2jva s TYR 77 CO 0.33 -0.83 1.46 -0.09 0.64 0.00 0.00 175.55 177.06 2jva h ARG 78 N 0.06 0.70 -6.23 4.97 2.43 -1.96 -3.46 114.38 110.89 2jva h ARG 78 Ca -0.43 -0.33 -0.55 0.00 -0.81 0.00 0.00 59.98 57.86 2jva h ARG 78 Cb 1.29 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.75 2jva h ARG 78 CO 0.54 0.93 -0.60 0.95 -1.51 0.00 0.00 179.97 180.29 2jva s THR 79 N -4.52 4.01 0.15 0.20 -4.23 -1.26 -4.77 115.64 105.22 2jva s THR 79 Ca -0.13 -1.49 -0.13 0.00 -1.18 0.00 0.00 61.69 58.76 2jva s THR 79 Cb 0.09 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.86 2jva s THR 79 CO 0.82 -0.26 1.68 1.56 -0.54 0.00 0.00 174.62 177.88 2jva h GLN 80 N 2.04 0.78 -0.64 3.99 4.20 -1.84 -2.70 115.11 120.95 2jva h GLN 80 Ca -0.47 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.05 2jva h GLN 80 Cb 1.23 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2jva h GLN 80 CO 0.60 0.72 0.28 0.93 -0.67 0.00 0.00 178.83 180.69 2jva h GLU 81 N 0.69 0.92 -0.33 1.46 4.39 -1.96 0.36 114.58 120.11 2jva h GLU 81 Ca 0.17 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 2jva h GLU 81 Cb 0.26 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2jva h GLU 81 CO -0.01 0.73 -0.48 1.96 -1.16 0.00 0.00 179.01 180.06 2jva h GLN 82 N 0.91 0.89 -0.43 2.33 1.08 -1.94 0.15 115.11 118.10 2jva h GLN 82 Ca 0.22 -0.52 -0.10 0.00 -1.45 0.00 0.00 58.65 56.80 2jva h GLN 82 Cb 0.14 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2jva h GLN 82 CO -0.02 1.16 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.98 2jva h ASN 83 N 0.70 0.78 -0.10 1.46 2.35 -1.10 0.11 115.58 119.78 2jva h ASN 83 Ca 0.03 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2jva h ASN 83 Cb 1.08 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 2jva h ASN 83 CO 0.11 0.92 0.04 -0.09 -1.65 0.00 0.00 177.43 176.77 2jva h ARG 84 N 0.70 0.15 -0.42 0.81 2.43 -0.03 -0.32 114.38 117.69 2jva h ARG 84 Ca 0.11 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2jva h ARG 84 Cb 0.62 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2jva h ARG 84 CO 0.04 0.24 0.04 0.00 -1.51 0.00 0.00 179.97 178.79 2jva h ALA 85 N 0.90 0.57 0.05 2.80 0.00 -0.62 -1.73 119.26 121.23 2jva h ALA 85 Ca 0.03 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2jva h ALA 85 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jva h ALA 85 CO -0.00 0.31 -0.17 0.22 0.00 0.00 0.00 179.25 179.61 2jva h ASP 86 N 0.57 -0.49 -0.60 0.00 3.58 -0.86 0.12 116.42 118.74 2jva h ASP 86 Ca 0.13 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2jva h ASP 86 Cb 0.42 0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 2jva h ASP 86 CO 0.01 -0.24 0.38 0.00 -2.88 0.00 0.00 179.24 176.51 2jva h ALA 87 N 0.57 0.77 -0.54 -0.78 0.00 -1.00 0.14 119.26 118.42 2jva h ALA 87 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jva h ALA 87 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jva h ALA 87 CO -0.13 0.13 0.10 -0.07 0.00 0.00 0.00 179.25 179.29 2jva h LEU 88 N 0.75 0.84 0.16 0.00 3.38 -1.03 0.24 115.31 119.64 2jva h LEU 88 Ca 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jva h LEU 88 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2jva h LEU 88 CO -0.09 0.88 -0.08 0.25 0.09 0.00 0.00 178.44 179.49 2jva h LEU 89 N 0.77 -0.18 -0.61 1.67 6.46 -0.33 -0.89 115.31 122.20 2jva h LEU 89 Ca 0.17 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2jva h LEU 89 Cb 0.38 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 2jva h LEU 89 CO 0.01 -0.12 0.28 -0.09 -0.62 0.00 0.00 178.44 177.90 2jva h ARG 90 N -0.22 0.89 -0.16 1.25 2.43 -0.59 -1.04 114.38 116.93 2jva h ARG 90 Ca -0.02 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2jva h ARG 90 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2jva h ARG 90 CO 0.04 0.73 0.08 1.25 -1.51 0.00 0.00 179.97 180.55 2jva h LEU 91 N 0.84 0.21 -0.86 3.80 6.46 -0.41 0.19 115.31 125.53 2jva h LEU 91 Ca 0.21 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 2jva h LEU 91 Cb 0.15 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2jva h LEU 91 CO -0.02 0.26 0.29 -1.28 -0.62 0.00 0.00 178.44 177.07 2jva h SER 92 N 0.14 1.05 -0.35 1.25 0.87 -0.99 -1.35 113.55 114.16 2jva h SER 92 Ca 0.06 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 2jva h SER 92 Cb 0.10 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2jva h SER 92 CO -0.01 0.93 -0.06 -0.08 -0.53 0.00 0.00 176.83 177.09 2jva h GLU 93 N 1.10 0.66 -0.69 2.24 4.81 -0.93 -2.80 114.58 118.98 2jva h GLU 93 Ca 0.25 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2jva h GLU 93 Cb 0.22 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2jva h GLU 93 CO -0.02 0.81 0.35 1.25 -0.73 0.00 0.00 179.01 180.67 2jva h LEU 94 N 0.45 0.49 -0.17 1.64 7.12 -0.23 0.31 115.31 124.92 2jva h LEU 94 Ca 0.09 0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.17 2jva h LEU 94 Cb 0.55 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2jva h LEU 94 CO 0.03 0.29 0.02 0.40 -0.13 0.00 0.00 178.44 179.06 2jva h ILE 95 N 0.62 0.91 -0.51 4.05 2.04 -1.10 0.12 117.51 123.65 2jva h ILE 95 Ca 0.33 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 66.07 2jva h ILE 95 Cb 0.30 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2jva h ILE 95 CO -0.24 0.02 -0.02 0.58 0.00 0.00 0.00 178.15 178.49 2jva h VAL 96 N 0.09 1.27 -0.36 1.67 2.07 -1.17 -3.00 116.25 116.82 2jva h VAL 96 Ca 0.08 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2jva h VAL 96 Cb 0.08 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2jva h VAL 96 CO -0.11 0.40 0.04 -1.13 0.02 0.00 0.00 177.57 176.79 2jva h ASN 97 N 0.79 0.51 -0.22 0.57 -0.73 0.02 -2.11 115.58 114.41 2jva h ASN 97 Ca 0.14 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2jva h ASN 97 Cb 0.55 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2jva h ASN 97 CO 0.03 0.55 0.14 0.00 -0.37 0.00 0.00 177.43 177.78 2jva h ALA 98 N 1.52 1.84 0.00 1.57 0.00 -0.61 0.79 119.26 124.37 2jva h ALA 98 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jva h ALA 98 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jva h ALA 98 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2jva h ALA 99 N 1.86 1.00 0.00 0.00 0.00 -1.42 -2.53 119.26 118.17 2jva h ALA 99 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jva h ALA 99 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jva h ALA 99 CO -0.02 0.00 -1.60 1.63 0.00 0.00 0.00 179.25 179.26 2jva n LYS 100 N -2.89 0.64 -2.73 0.00 4.01 0.14 -4.89 118.16 112.44 2jva n LYS 100 Ca 0.01 -0.02 -0.43 0.00 -0.51 0.00 0.00 58.31 57.36 2jva n LYS 100 Cb 0.30 -1.66 -0.03 0.00 -0.51 0.00 0.00 35.03 33.12 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 -5.02 3.86 -0.78 -0.35 1.43 -0.45 -4.97 118.68 112.39 2jva s LEU 101 Ca -0.05 0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 2jva s LEU 101 Cb 0.11 -3.31 0.03 0.00 0.03 0.00 0.00 46.19 43.06 2jva s LEU 101 CO 0.85 -1.15 1.30 -1.61 0.23 0.00 0.00 176.35 175.97 2jva s GLU 102 N 4.06 3.24 -0.39 1.70 0.41 -1.26 -4.95 118.70 121.51 2jva s GLU 102 Ca 0.41 -0.38 -0.28 0.00 -0.41 0.00 0.00 54.97 54.32 2jva s GLU 102 Cb -0.09 -4.34 -0.02 0.00 -1.78 0.00 0.00 34.13 27.89 2jva s GLU 102 CO 0.28 -2.15 1.88 -1.58 -0.49 0.00 0.00 175.26 173.20 2jva s HIS 103 N 5.59 1.69 -1.19 1.61 5.65 -1.26 -4.91 115.29 122.48 2jva s HIS 103 Ca 0.36 0.71 -0.17 0.00 0.25 0.00 0.00 55.06 56.21 2jva s HIS 103 Cb -0.07 -4.07 0.11 0.00 -1.18 0.00 0.00 32.58 27.37 2jva s HIS 103 CO 0.11 -2.87 1.52 -1.58 -0.65 0.00 0.00 174.74 171.27 2jva s HIS 104 N 7.75 3.04 -0.30 3.88 2.46 -1.26 -4.79 115.29 126.07 2jva s HIS 104 Ca 0.80 -1.67 -0.16 0.00 0.47 0.00 0.00 55.06 54.49 2jva s HIS 104 Cb -0.21 -4.54 0.19 0.00 -0.13 0.00 0.00 32.58 27.90 2jva s HIS 104 CO 0.31 -1.64 1.19 -1.58 -2.47 0.00 0.00 174.74 170.54 2jva s HIS 105 N 3.22 -0.20 0.33 3.88 5.65 -1.26 -5.16 115.29 121.74 2jva s HIS 105 Ca 0.46 0.41 -0.27 0.00 0.25 0.00 0.00 55.06 55.91 2jva s HIS 105 Cb 0.00 0.14 -0.09 0.00 -1.18 0.00 0.00 32.58 31.45 2jva s HIS 105 CO 0.01 -0.10 1.04 -1.01 -0.65 0.00 0.00 174.74 174.02 2jva s HIS 106 N 1.07 3.52 0.00 3.88 0.09 -1.26 -4.36 115.29 118.24 2jva s HIS 106 Ca -0.08 1.72 0.00 0.00 -0.00 0.00 0.00 55.06 56.70 2jva s HIS 106 Cb -0.03 -3.13 0.00 0.00 -0.00 0.00 0.00 32.58 29.42 2jva s HIS 106 CO -0.11 -0.35 0.00 0.72 -0.00 0.00 0.00 174.74 175.00 2jva n HIS 107 N 0.64 0.00 -1.19 1.40 8.25 -1.26 -5.27 115.22 117.79 2jva n HIS 107 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jva n HIS 107 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2jva n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70