#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 3.85 -0.49 -0.89 2.96 0.15 -4.89 118.68 119.37 2jva s LEU 2 Ca 0.00 -0.95 -0.28 0.00 -0.22 0.00 0.00 54.13 52.68 2jva s LEU 2 Cb 0.00 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.23 2jva s LEU 2 CO 0.00 -1.57 1.11 -0.69 -1.32 0.00 0.00 176.35 173.88 2jva s VAL 3 N 4.71 4.23 -0.19 1.68 1.01 -1.26 -0.64 120.40 129.94 2jva s VAL 3 Ca 0.32 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 2jva s VAL 3 Cb -0.10 -4.59 -0.21 0.00 0.00 0.00 0.00 36.38 31.48 2jva s VAL 3 CO 0.07 -1.03 0.07 -0.38 0.00 0.00 0.00 175.10 173.84 2jva n ILE 4 N 6.77 1.63 -4.12 2.22 5.41 -0.91 -5.03 119.36 125.33 2jva n ILE 4 Ca 0.11 -0.54 -0.14 0.00 1.00 0.00 0.00 62.75 63.18 2jva n ILE 4 Cb 0.49 -1.66 -0.06 0.00 -0.71 0.00 0.00 39.64 37.69 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 -6.88 0.71 0.41 4.38 0.15 -0.83 -4.97 113.70 106.67 2jva s SER 5 Ca -0.29 -1.41 0.12 0.00 0.70 0.00 0.00 55.95 55.07 2jva s SER 5 Cb 0.08 0.58 0.85 0.00 -1.71 0.00 0.00 66.02 65.82 2jva s SER 5 CO 0.67 -1.15 1.92 -1.13 1.20 0.00 0.00 173.24 174.74 2jva h ASN 6 N 2.23 0.07 -0.24 5.45 -1.24 -2.03 -2.68 115.58 117.15 2jva h ASN 6 Ca -0.29 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2jva h ASN 6 Cb 1.24 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2jva h ASN 6 CO 0.40 0.30 0.00 0.59 -1.29 0.00 0.00 177.43 177.44 2jva n ASN 7 N -4.24 2.59 -3.93 1.15 4.13 -1.26 -4.92 115.26 108.79 2jva n ASN 7 Ca -0.02 -1.86 -0.28 0.00 1.68 0.00 0.00 54.58 54.10 2jva n ASN 7 Cb 0.30 -0.16 -0.17 0.00 -1.54 0.00 0.00 39.78 38.22 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 -0.96 1.21 -0.02 2.41 1.01 -1.01 -5.02 120.40 118.01 2jva s VAL 8 Ca 0.19 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2jva s VAL 8 Cb 0.10 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2jva s VAL 8 CO 0.14 0.28 -0.02 -1.00 0.00 0.00 0.00 175.10 174.49 2jva s HIS 9 N 1.62 0.40 -0.31 5.22 3.76 -1.26 -1.96 115.29 122.75 2jva s HIS 9 Ca 0.03 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 2jva s HIS 9 Cb -0.14 -0.37 0.06 0.00 1.11 0.00 0.00 32.58 33.24 2jva s HIS 9 CO -0.08 -0.08 0.02 -0.51 -0.85 0.00 0.00 174.74 173.23 2jva s LEU 10 N 0.52 4.04 0.51 0.89 1.43 0.19 -4.67 118.68 121.59 2jva s LEU 10 Ca -0.05 -1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 51.44 2jva s LEU 10 Cb -0.09 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2jva s LEU 10 CO -0.01 -0.29 1.27 -2.16 0.23 0.00 0.00 176.35 175.40 2jva s PRO 11 N 1.22 3.39 0.42 1.29 0.04 -1.26 0.35 135.00 140.44 2jva s PRO 11 Ca -0.04 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.15 2jva s PRO 11 Cb -0.20 -2.31 0.95 0.00 0.04 0.00 0.00 34.50 32.98 2jva s PRO 11 CO -0.02 -0.93 2.00 -0.44 0.04 0.00 0.00 177.00 177.65 2jva h ASP 12 N 1.68 0.43 -0.49 6.66 5.19 -1.94 -2.08 116.42 125.87 2jva h ASP 12 Ca -0.50 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.01 2jva h ASP 12 Cb 1.28 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 2jva h ASP 12 CO 0.58 0.28 0.33 0.00 -3.12 0.00 0.00 179.24 177.32 2jva h ALA 13 N 1.70 2.16 -0.01 3.45 0.00 -2.05 -1.14 119.26 123.37 2jva h ALA 13 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jva h ALA 13 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jva h ALA 13 CO -0.07 -0.28 -0.02 0.39 0.00 0.00 0.00 179.25 179.27 2jva n GLU 14 N -4.45 1.27 -3.81 0.00 1.02 -0.78 -4.65 120.64 109.23 2jva n GLU 14 Ca 0.08 -0.48 -0.37 0.00 -0.02 0.00 0.00 57.16 56.37 2jva n GLU 14 Cb 0.40 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.06 3.75 -0.92 -3.67 1.01 -0.43 -4.07 121.20 114.82 2jva s ILE 15 Ca 0.41 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 2jva s ILE 15 Cb 0.21 -2.90 0.09 0.00 0.01 0.00 0.00 42.46 39.87 2jva s ILE 15 CO 0.37 0.14 1.23 -0.70 0.00 0.00 0.00 174.94 175.98 2jva s GLU 16 N 1.48 3.51 -0.34 2.79 2.56 -0.29 -4.97 118.70 123.44 2jva s GLU 16 Ca 0.03 -1.33 -0.18 0.00 0.00 0.00 0.00 54.97 53.49 2jva s GLU 16 Cb -0.17 -4.94 -0.01 0.00 2.00 0.00 0.00 34.13 31.02 2jva s GLU 16 CO 0.01 -1.95 0.52 -0.51 -0.56 0.00 0.00 175.26 172.76 2jva s LEU 17 N 3.84 4.29 0.10 2.70 1.43 -1.26 -1.93 118.68 127.85 2jva s LEU 17 Ca 0.36 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2jva s LEU 17 Cb -0.05 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2jva s LEU 17 CO -0.06 -0.46 -0.07 0.42 0.23 0.00 0.00 176.35 176.42 2jva s THR 18 N 2.40 0.74 -0.03 5.49 -4.23 -0.53 -5.03 115.64 114.44 2jva s THR 18 Ca 0.19 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 2jva s THR 18 Cb -0.15 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2jva s THR 18 CO 0.13 -0.80 -0.09 0.00 -0.54 0.00 0.00 174.62 173.32 2jva s ALA 19 N -3.32 2.92 -0.25 3.99 0.00 -1.26 0.21 121.76 124.05 2jva s ALA 19 Ca 0.10 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 2jva s ALA 19 Cb 0.03 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2jva s ALA 19 CO -0.04 0.58 0.45 0.42 0.00 0.00 0.00 175.76 177.18 2jva s ILE 20 N -0.87 5.13 0.10 0.00 1.01 0.13 -4.77 121.20 121.94 2jva s ILE 20 Ca 0.14 0.75 -0.26 0.00 0.00 0.00 0.00 60.65 61.28 2jva s ILE 20 Cb -0.11 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 2jva s ILE 20 CO 0.04 0.14 0.79 -0.60 0.00 0.00 0.00 174.94 175.31 2jva s ARG 21 N 2.03 4.55 0.39 2.79 3.52 -1.26 -4.59 118.95 126.37 2jva s ARG 21 Ca 0.19 1.15 0.01 0.00 -0.13 0.00 0.00 55.73 56.95 2jva s ARG 21 Cb -0.16 -3.32 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 2jva s ARG 21 CO 0.09 0.39 0.53 0.00 -0.81 0.00 0.00 175.30 175.51 2jva n ALA 22 N 2.30 0.25 -3.60 6.12 0.00 -1.26 -5.03 120.51 119.29 2jva n ALA 22 Ca -0.03 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.16 2jva n ALA 22 Cb 0.49 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 20.09 2jva n ALA 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2jva s GLN 23 N -3.80 0.81 0.03 0.00 2.00 -1.26 -5.04 119.66 112.39 2jva s GLN 23 Ca 0.36 0.65 -0.26 0.00 -2.00 0.00 0.00 55.36 54.12 2jva s GLN 23 Cb -0.02 0.39 -0.14 0.00 0.80 0.00 0.00 33.01 34.04 2jva s GLN 23 CO 0.24 -0.16 1.22 0.78 -0.50 0.00 0.00 175.29 176.86 2jva h GLY 24 N 4.10 -0.96 -1.89 2.59 0.00 -1.87 -3.48 103.07 101.56 2jva h GLY 24 Ca -0.27 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2jva h GLY 24 CO 0.17 -0.35 -0.46 0.00 0.00 0.00 0.00 176.54 175.90 2jva n ALA 25 N -2.56 -1.73 -0.72 3.60 0.00 -1.26 -4.71 120.51 113.12 2jva n ALA 25 Ca -0.11 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jva n ALA 25 Cb 0.36 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.94 2.49 0.40 0.00 0.00 -1.26 -3.12 105.19 102.76 2jva n GLY 26 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 4.83 3.47 -0.02 0.00 -1.26 -4.97 105.19 107.23 2jva n GLY 27 Ca 0.00 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.99 3.39 -1.02 1.61 0.74 -1.18 -5.02 119.66 115.19 2jva s GLN 28 Ca 0.36 -0.69 -0.23 0.00 0.05 0.00 0.00 55.36 54.85 2jva s GLN 28 Cb 0.32 -3.62 0.04 0.00 1.10 0.00 0.00 33.01 30.84 2jva s GLN 28 CO 0.01 -0.41 1.54 -0.80 -0.55 0.00 0.00 175.29 175.08 2jva s ASN 29 N 1.64 6.30 -0.49 6.67 0.02 -1.26 -4.47 114.94 123.36 2jva s ASN 29 Ca 0.05 -1.39 0.06 0.00 -1.02 0.00 0.00 52.86 50.57 2jva s ASN 29 Cb -0.17 -2.57 0.22 0.00 0.02 0.00 0.00 41.25 38.75 2jva s ASN 29 CO 0.07 -1.69 0.53 1.33 0.02 0.00 0.00 177.10 177.36 2jva n VAL 30 N 7.02 0.14 -3.43 1.60 0.24 -1.26 -5.03 118.33 117.60 2jva n VAL 30 Ca 0.35 -4.25 -0.43 0.00 -2.04 0.00 0.00 64.34 57.97 2jva n VAL 30 Cb 0.50 -1.95 -0.02 0.00 -1.47 0.00 0.00 33.84 30.90 2jva n VAL 30 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2jva s ASN 31 N -1.22 6.81 -0.12 -1.34 0.01 -1.26 -3.97 114.94 113.85 2jva s ASN 31 Ca 0.34 -3.43 -0.11 0.00 -0.71 0.00 0.00 52.86 48.96 2jva s ASN 31 Cb 0.11 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.68 2jva s ASN 31 CO -0.12 -0.32 0.31 -0.75 -1.51 0.00 0.00 177.10 174.72 2jva s LYS 32 N -0.97 0.36 0.07 -0.60 2.20 -1.26 -5.09 119.74 114.45 2jva s LYS 32 Ca 0.27 0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 56.01 2jva s LYS 32 Cb -0.10 0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.31 2jva s LYS 32 CO -0.09 -0.05 1.59 0.54 -0.36 0.00 0.00 175.35 176.98 2jva s VAL 33 N 0.21 3.12 0.72 4.02 0.11 -1.26 -4.86 120.40 122.46 2jva s VAL 33 Ca -0.00 0.61 -0.11 0.00 -2.93 0.00 0.00 61.98 59.54 2jva s VAL 33 Cb -0.02 -3.39 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 2jva s VAL 33 CO -0.00 0.01 1.08 -0.44 -3.33 0.00 0.00 175.10 172.42 2jva s SER 34 N 2.11 4.96 -0.20 3.54 0.01 -1.26 -4.92 113.70 117.93 2jva s SER 34 Ca 0.71 1.77 0.01 0.00 1.31 0.00 0.00 55.95 59.76 2jva s SER 34 Cb -0.39 -2.52 0.27 0.00 0.21 0.00 0.00 66.02 63.60 2jva s SER 34 CO 0.31 -1.73 1.44 -0.24 0.41 0.00 0.00 173.24 173.42 2jva n SER 35 N -3.18 3.55 -4.61 2.44 2.88 -1.26 -4.87 113.62 108.58 2jva n SER 35 Ca 0.09 -2.70 -0.40 0.00 -1.33 0.00 0.00 58.87 54.52 2jva n SER 35 Cb 0.53 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 63.24 2jva n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jva s ALA 36 N -1.40 3.57 0.04 -1.46 0.00 -1.26 -3.82 121.76 117.43 2jva s ALA 36 Ca 0.24 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.60 2jva s ALA 36 Cb 0.20 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 2jva s ALA 36 CO 0.04 -0.88 0.01 -1.64 0.00 0.00 0.00 175.76 173.29 2jva s MET 37 N 2.42 2.72 -0.26 0.00 -1.94 0.61 -0.69 119.30 122.15 2jva s MET 37 Ca 0.23 -0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 53.45 2jva s MET 37 Cb -0.15 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.05 2jva s MET 37 CO 0.10 0.59 0.03 -1.58 -0.01 0.00 0.00 175.02 174.15 2jva s HIS 38 N -1.22 3.08 -0.22 -0.03 5.04 0.13 -1.60 115.29 120.48 2jva s HIS 38 Ca 0.23 -0.94 -0.04 0.00 -1.54 0.00 0.00 55.06 52.77 2jva s HIS 38 Cb -0.12 -2.19 -0.01 0.00 0.04 0.00 0.00 32.58 30.30 2jva s HIS 38 CO 0.15 -0.55 -0.05 -0.51 -2.34 0.00 0.00 174.74 171.44 2jva s LEU 39 N 1.49 2.87 -0.20 8.88 2.01 -0.68 -1.45 118.68 131.61 2jva s LEU 39 Ca 0.04 -0.40 0.01 0.00 0.01 0.00 0.00 54.13 53.78 2jva s LEU 39 Cb -0.16 -1.73 0.04 0.00 0.01 0.00 0.00 46.19 44.35 2jva s LEU 39 CO 0.01 -0.02 -0.11 -0.60 1.01 0.00 0.00 176.35 176.63 2jva s ARG 40 N 1.47 2.11 -0.26 1.70 3.52 -0.81 -0.87 118.95 125.81 2jva s ARG 40 Ca 0.06 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 54.72 2jva s ARG 40 Cb -0.14 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 2jva s ARG 40 CO -0.04 -0.42 0.05 0.12 -0.81 0.00 0.00 175.30 174.20 2jva s PHE 41 N 1.37 3.08 -0.83 5.12 5.36 -0.16 -1.14 117.98 130.78 2jva s PHE 41 Ca -0.01 -0.74 -0.20 0.00 -0.96 0.00 0.00 56.93 55.01 2jva s PHE 41 Cb -0.16 -2.21 0.10 0.00 -0.34 0.00 0.00 43.02 40.41 2jva s PHE 41 CO -0.08 -0.48 1.08 0.34 -1.46 0.00 0.00 175.22 174.61 2jva s ASP 42 N 1.54 6.44 0.42 6.13 -1.08 -1.26 -1.39 116.67 127.47 2jva s ASP 42 Ca 0.05 -1.61 0.11 0.00 -0.52 0.00 0.00 52.55 50.58 2jva s ASP 42 Cb -0.16 -2.41 0.91 0.00 -1.46 0.00 0.00 42.92 39.80 2jva s ASP 42 CO 0.01 -1.23 1.99 0.40 0.52 0.00 0.00 175.17 176.86 2jva h ILE 43 N 5.95 1.13 0.21 4.11 2.04 -0.89 -0.97 117.51 129.08 2jva h ILE 43 Ca -0.01 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2jva h ILE 43 Cb 1.04 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2jva h ILE 43 CO 1.15 0.17 -0.10 -1.13 0.00 0.00 0.00 178.15 178.25 2jva h ASN 44 N 0.20 -0.24 0.86 1.72 -0.73 -1.71 -3.31 115.58 112.36 2jva h ASN 44 Ca 0.04 -0.23 -0.21 0.00 1.87 0.00 0.00 56.30 57.78 2jva h ASN 44 Cb 0.24 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2jva h ASN 44 CO 0.01 0.12 -1.00 0.00 -0.37 0.00 0.00 177.43 176.19 2jva h ALA 45 N 0.07 0.38 -2.64 1.57 0.00 -1.83 -3.47 119.26 113.33 2jva h ALA 45 Ca -0.03 -0.86 -0.54 0.00 0.00 0.00 0.00 54.91 53.48 2jva h ALA 45 Cb 0.45 -0.12 0.18 0.00 0.00 0.00 0.00 17.79 18.31 2jva h ALA 45 CO 0.05 1.13 0.21 -1.13 0.00 0.00 0.00 179.25 179.51 2jva n SER 46 N -3.45 0.71 -1.28 0.00 3.41 -0.38 -4.83 113.62 107.79 2jva n SER 46 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2jva n SER 46 Cb 0.91 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2jva n SER 46 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jva n SER 47 N -2.56 3.52 -4.81 4.04 7.64 -1.26 -4.86 113.62 115.33 2jva n SER 47 Ca 0.13 -1.94 -0.37 0.00 1.01 0.00 0.00 58.87 57.70 2jva n SER 47 Cb 0.50 -0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.00 4.39 0.51 -3.43 1.43 -1.26 -4.60 118.68 115.72 2jva s LEU 48 Ca 0.00 1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 54.35 2jva s LEU 48 Cb 0.00 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 2jva s LEU 48 CO 0.00 0.07 1.26 -2.84 0.23 0.00 0.00 176.35 175.07 2jva s PRO 49 N -1.80 3.42 0.49 1.29 0.02 -1.26 -4.84 135.00 132.31 2jva s PRO 49 Ca 0.41 2.00 0.21 0.00 0.02 0.00 0.00 61.00 63.64 2jva s PRO 49 Cb -0.18 -2.31 1.25 0.00 0.02 0.00 0.00 34.50 33.29 2jva s PRO 49 CO 0.22 -0.90 1.96 -1.00 -0.33 0.00 0.00 177.00 176.96 2jva h PRO 50 N 1.69 0.17 -0.61 5.54 0.13 -1.98 -0.76 132.00 136.18 2jva h PRO 50 Ca -0.50 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.74 2jva h PRO 50 Cb 1.28 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 2jva h PRO 50 CO 0.58 0.11 0.12 0.35 -0.23 0.00 0.00 178.00 178.94 2jva h PHE 51 N 0.18 0.18 -0.02 1.56 3.57 -2.00 0.10 116.94 120.50 2jva h PHE 51 Ca 0.30 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 2jva h PHE 51 Cb 0.94 0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.70 2jva h PHE 51 CO -0.00 -0.05 -0.39 1.88 -2.23 0.00 0.00 178.31 177.52 2jva h TYR 52 N 0.24 0.44 -1.00 0.41 -1.99 -1.53 -3.18 116.97 110.36 2jva h TYR 52 Ca 0.32 -0.22 0.06 0.00 2.00 0.00 0.00 58.73 60.89 2jva h TYR 52 Cb 0.49 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.10 2jva h TYR 52 CO -0.26 1.01 0.65 0.87 -0.00 0.00 0.00 178.16 180.43 2jva h LYS 53 N -0.25 1.16 0.57 4.88 1.57 -1.04 -0.58 116.57 122.89 2jva h LYS 53 Ca -0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2jva h LYS 53 Cb 1.09 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2jva h LYS 53 CO 0.08 0.77 -0.36 1.49 -0.57 0.00 0.00 179.45 180.86 2jva h GLU 54 N 1.20 -0.86 0.00 3.15 4.81 -0.88 0.43 114.58 122.43 2jva h GLU 54 Ca 0.42 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 2jva h GLU 54 Cb 0.12 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jva h GLU 54 CO -0.16 -0.57 -0.17 0.00 -0.73 0.00 0.00 179.01 177.38 2jva h ARG 55 N -0.89 0.00 -0.11 1.92 3.08 -1.44 0.27 114.38 117.21 2jva h ARG 55 Ca -0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2jva h ARG 55 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2jva h ARG 55 CO 0.06 0.17 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.99 2jva h LEU 56 N 0.00 0.26 -1.38 3.04 3.38 -0.91 -2.95 115.31 116.75 2jva h LEU 56 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2jva h LEU 56 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jva h LEU 56 CO 0.02 0.64 0.00 -0.07 0.09 0.00 0.00 178.44 179.12 2jva h LEU 57 N -0.12 0.00 -2.52 1.67 3.38 0.10 -2.02 115.31 115.81 2jva h LEU 57 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jva h LEU 57 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jva h LEU 57 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2jva n ALA 58 N -1.95 2.73 -1.92 1.53 0.00 0.87 -4.94 120.51 116.83 2jva n ALA 58 Ca 0.01 -1.23 -0.27 0.00 0.00 0.00 0.00 53.44 51.94 2jva n ALA 58 Cb 0.23 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.34 2.69 -0.13 0.00 1.43 -0.76 -4.98 118.68 115.59 2jva s LEU 59 Ca 0.43 0.64 0.16 0.00 -1.03 0.00 0.00 54.13 54.33 2jva s LEU 59 Cb 0.25 -3.24 0.62 0.00 0.03 0.00 0.00 46.19 43.86 2jva s LEU 59 CO 0.25 -1.70 1.54 -3.20 0.23 0.00 0.00 176.35 173.46 2jva n ASN 60 N -3.09 4.40 -4.75 2.29 5.15 -1.26 -4.97 115.26 113.03 2jva n ASN 60 Ca 0.08 -2.61 -0.39 0.00 -0.60 0.00 0.00 54.58 51.07 2jva n ASN 60 Cb 0.60 -0.53 -0.06 0.00 -0.53 0.00 0.00 39.78 39.27 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 -1.18 6.88 0.22 1.20 -1.08 -1.26 -4.96 116.67 116.48 2jva s ASP 61 Ca 0.45 1.05 0.26 0.00 -0.52 0.00 0.00 52.55 53.79 2jva s ASP 61 Cb 0.31 -2.34 0.80 0.00 -1.46 0.00 0.00 42.92 40.24 2jva s ASP 61 CO 0.18 0.06 1.77 -0.24 0.52 0.00 0.00 175.17 177.46 2jva n SER 62 N 3.09 0.83 0.21 -0.34 2.88 -1.26 -2.95 113.62 116.08 2jva n SER 62 Ca -0.07 0.58 0.08 0.00 -1.33 0.00 0.00 58.87 58.14 2jva n SER 62 Cb 0.51 -0.80 0.40 0.00 -0.75 0.00 0.00 64.21 63.57 2jva n SER 62 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jva h ARG 63 N 0.00 0.00 -6.54 -1.46 3.08 -1.92 -3.40 114.38 104.13 2jva h ARG 63 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2jva h ARG 63 Cb 0.74 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.70 2jva h ARG 63 CO 0.00 0.27 0.82 0.42 -1.07 0.00 0.00 179.97 180.42 2jva s ILE 64 N -3.59 4.29 0.57 2.04 1.01 -1.15 -3.23 121.20 121.13 2jva s ILE 64 Ca 0.01 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 61.68 2jva s ILE 64 Cb 0.10 -4.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 2jva s ILE 64 CO 0.66 -0.95 0.89 0.42 0.00 0.00 0.00 174.94 175.96 2jva s THR 65 N 4.23 4.10 -0.28 2.92 -4.23 0.04 -4.96 115.64 117.46 2jva s THR 65 Ca 0.45 0.18 0.27 0.00 -1.18 0.00 0.00 61.69 61.40 2jva s THR 65 Cb -0.08 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.44 2jva s THR 65 CO 0.30 -0.65 1.80 0.28 -0.54 0.00 0.00 174.62 175.80 2jva h SER 66 N -0.11 0.00 0.72 3.99 0.02 -1.96 -1.39 113.55 114.82 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 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2jva h SER 66 CO 0.61 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.77 2jva n ASP 67 N -2.49 0.00 0.00 3.07 9.92 -1.26 -4.88 116.55 120.92 2jva n ASP 67 Ca 0.01 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 2jva n ASP 67 Cb 0.24 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2jva n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jva n GLY 68 N 0.88 0.74 3.20 0.44 0.00 -0.52 -4.74 105.19 105.19 2jva n GLY 68 Ca 0.07 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 1.70 -0.14 1.61 1.01 -1.25 -0.12 120.40 121.21 2jva s VAL 69 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2jva s VAL 69 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2jva s VAL 69 CO 0.00 0.48 -0.14 -0.51 0.00 0.00 0.00 175.10 174.93 2jva s ILE 70 N -0.14 2.86 -0.03 2.22 2.07 -0.49 -0.78 121.20 126.91 2jva s ILE 70 Ca -0.01 -0.72 0.06 0.00 -1.41 0.00 0.00 60.65 58.57 2jva s ILE 70 Cb -0.12 -2.20 -0.01 0.00 0.13 0.00 0.00 42.46 40.26 2jva s ILE 70 CO 0.02 0.52 -0.20 0.54 -1.91 0.00 0.00 174.94 173.91 2jva s VAL 71 N 0.57 1.64 0.14 4.00 0.11 -1.20 -0.99 120.40 124.67 2jva s VAL 71 Ca -0.09 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 2jva s VAL 71 Cb -0.16 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 2jva s VAL 71 CO 0.03 0.46 0.01 -0.76 -3.33 0.00 0.00 175.10 171.52 2jva s LEU 72 N -0.27 2.05 -0.27 2.54 1.02 -0.05 -4.86 118.68 118.84 2jva s LEU 72 Ca 0.02 -1.16 0.01 0.00 0.02 0.00 0.00 54.13 53.03 2jva s LEU 72 Cb -0.10 0.09 0.07 0.00 0.02 0.00 0.00 46.19 46.27 2jva s LEU 72 CO 0.01 -0.62 -0.01 -0.54 0.02 0.00 0.00 176.35 175.20 2jva s LYS 73 N -3.96 1.51 -0.54 1.70 1.02 -1.26 -1.69 119.74 116.52 2jva s LYS 73 Ca 0.22 -1.22 -0.20 0.00 0.02 0.00 0.00 55.97 54.79 2jva s LYS 73 Cb 0.07 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.79 2jva s LYS 73 CO 0.01 -0.73 0.69 0.00 -0.92 0.00 0.00 175.35 174.41 2jva s ALA 74 N 1.30 3.36 0.00 5.17 0.00 -0.63 -4.77 121.76 126.19 2jva s ALA 74 Ca -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.12 2jva s ALA 74 Cb -0.19 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.48 2jva s ALA 74 CO -0.09 -2.17 1.00 0.94 0.00 0.00 0.00 175.76 175.43 2jva n GLN 75 N 6.40 0.00 -0.02 0.00 7.27 -1.25 -0.29 117.38 129.49 2jva n GLN 75 Ca -0.07 -1.01 -0.17 0.00 0.07 0.00 0.00 57.00 55.82 2jva n GLN 75 Cb 0.45 -0.49 -0.14 0.00 2.41 0.00 0.00 30.24 32.47 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 0.02 0.13 -7.41 3.69 5.75 -1.86 -3.46 115.11 111.97 2jva h GLN 76 Ca -0.00 -0.22 -0.46 0.00 -0.15 0.00 0.00 58.65 57.82 2jva h GLN 76 Cb 1.41 0.08 0.11 0.00 1.07 0.00 0.00 27.48 30.15 2jva h GLN 76 CO 0.00 1.11 0.24 -0.47 -2.65 0.00 0.00 178.83 177.06 2jva s TYR 77 N -2.33 1.85 0.27 3.99 5.04 -1.26 -4.99 117.35 119.92 2jva s TYR 77 Ca -0.18 0.08 0.07 0.00 -2.44 0.00 0.00 57.07 54.59 2jva s TYR 77 Cb -0.00 -3.44 0.37 0.00 0.35 0.00 0.00 41.96 39.23 2jva s TYR 77 CO 0.74 -1.99 1.63 -0.09 -1.34 0.00 0.00 175.55 174.50 2jva h ARG 78 N -0.95 0.18 -6.01 4.97 1.12 -1.95 -3.45 114.38 108.30 2jva h ARG 78 Ca -0.41 -0.11 -0.53 0.00 -1.11 0.00 0.00 59.98 57.82 2jva h ARG 78 Cb 1.26 0.01 -0.22 0.00 -0.01 0.00 0.00 29.97 31.02 2jva h ARG 78 CO 0.43 0.67 -0.82 0.95 -3.11 0.00 0.00 179.97 178.09 2jva s THR 79 N -3.89 1.60 0.17 0.20 -4.23 -1.26 -4.79 115.64 103.44 2jva s THR 79 Ca -0.04 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2jva s THR 79 Cb 0.13 -1.46 0.01 0.00 1.34 0.00 0.00 72.50 72.52 2jva s THR 79 CO 0.78 -0.08 1.57 1.56 -0.54 0.00 0.00 174.62 177.91 2jva h GLN 80 N 4.15 0.93 -0.86 3.99 4.20 -1.87 -0.69 115.11 124.96 2jva h GLN 80 Ca -0.45 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 57.85 2jva h GLN 80 Cb 1.18 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.89 2jva h GLN 80 CO 0.40 1.06 0.48 1.49 -0.67 0.00 0.00 178.83 181.58 2jva h GLU 81 N 0.80 1.20 -0.19 1.46 4.81 -1.96 0.39 114.58 121.09 2jva h GLU 81 Ca 0.10 -0.14 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 2jva h GLU 81 Cb 0.80 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2jva h GLU 81 CO 0.07 0.87 -0.66 1.96 -0.73 0.00 0.00 179.01 180.52 2jva h GLN 82 N 1.20 0.73 -0.55 1.92 1.08 -1.95 -1.97 115.11 115.57 2jva h GLN 82 Ca 0.30 -0.53 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2jva h GLN 82 Cb 0.02 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2jva h GLN 82 CO -0.05 1.15 0.31 -0.91 -0.95 0.00 0.00 178.83 178.37 2jva h ASN 83 N 0.53 0.67 0.62 1.46 2.35 -0.63 0.22 115.58 120.79 2jva h ASN 83 Ca -0.02 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2jva h ASN 83 Cb 1.27 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 2jva h ASN 83 CO 0.13 0.54 -0.44 -0.09 -1.65 0.00 0.00 177.43 175.92 2jva h ARG 84 N 0.76 -0.98 -0.91 0.81 2.43 0.06 0.27 114.38 116.81 2jva h ARG 84 Ca 0.20 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2jva h ARG 84 Cb 0.01 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2jva h ARG 84 CO -0.03 -0.66 0.60 0.00 -1.51 0.00 0.00 179.97 178.37 2jva h ALA 85 N -0.81 1.18 -0.02 2.80 0.00 -1.02 -0.73 119.26 120.66 2jva h ALA 85 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jva h ALA 85 Cb 0.85 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jva h ALA 85 CO 0.04 0.51 0.01 0.22 0.00 0.00 0.00 179.25 180.02 2jva h ASP 86 N 1.20 0.02 -0.97 0.00 1.82 -0.44 -1.51 116.42 116.54 2jva h ASP 86 Ca 0.35 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 2jva h ASP 86 Cb -0.08 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 2jva h ASP 86 CO -0.09 0.21 0.64 0.00 -1.61 0.00 0.00 179.24 178.38 2jva h ALA 87 N 0.82 1.31 -0.55 -0.78 0.00 -0.19 0.24 119.26 120.11 2jva h ALA 87 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jva h ALA 87 Cb 0.19 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2jva h ALA 87 CO -0.00 0.64 0.09 -0.07 0.00 0.00 0.00 179.25 179.90 2jva h LEU 88 N 1.31 0.83 -0.29 0.00 3.38 -1.00 0.42 115.31 119.96 2jva h LEU 88 Ca 0.36 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2jva h LEU 88 Cb -0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 2jva h LEU 88 CO -0.08 0.84 -0.01 0.25 0.09 0.00 0.00 178.44 179.53 2jva h LEU 89 N 0.83 0.50 -0.92 1.67 6.46 -0.28 0.48 115.31 124.06 2jva h LEU 89 Ca 0.17 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2jva h LEU 89 Cb 0.37 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 2jva h LEU 89 CO 0.01 0.70 0.39 -0.09 -0.62 0.00 0.00 178.44 178.83 2jva h ARG 90 N 0.30 1.17 0.14 1.25 2.43 -0.18 -0.09 114.38 119.39 2jva h ARG 90 Ca 0.08 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2jva h ARG 90 Cb 0.45 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2jva h ARG 90 CO 0.02 0.90 -0.07 1.25 -1.51 0.00 0.00 179.97 180.56 2jva h LEU 91 N 1.16 -0.15 -1.02 3.80 5.85 -0.02 -1.16 115.31 123.76 2jva h LEU 91 Ca 0.28 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2jva h LEU 91 Cb 0.11 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2jva h LEU 91 CO -0.04 0.24 0.51 0.77 -0.34 0.00 0.00 178.44 179.59 2jva h SER 92 N -0.58 1.05 0.03 1.25 4.64 -0.79 -0.52 113.55 118.62 2jva h SER 92 Ca -0.02 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2jva h SER 92 Cb 0.45 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jva h SER 92 CO 0.03 0.82 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.72 2jva h GLU 93 N 1.20 -0.03 -0.71 4.77 4.22 -1.02 -2.63 114.58 120.38 2jva h GLU 93 Ca 0.31 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.83 2jva h GLU 93 Cb -0.03 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2jva h GLU 93 CO -0.06 0.03 0.38 1.25 -2.18 0.00 0.00 179.01 178.44 2jva h LEU 94 N -0.09 0.53 -0.22 1.64 6.46 -0.45 0.63 115.31 123.81 2jva h LEU 94 Ca -0.00 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2jva h LEU 94 Cb 0.08 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2jva h LEU 94 CO 0.01 0.32 0.10 0.40 -0.62 0.00 0.00 178.44 178.65 2jva h ILE 95 N 0.67 0.99 -0.05 4.05 2.04 -0.99 -0.77 117.51 123.45 2jva h ILE 95 Ca 0.33 -0.08 -0.19 0.00 1.00 0.00 0.00 64.86 65.93 2jva h ILE 95 Cb 0.29 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2jva h ILE 95 CO -0.23 0.04 -0.79 0.58 0.00 0.00 0.00 178.15 177.75 2jva h VAL 96 N 0.22 1.40 -0.65 1.67 2.07 -1.05 -3.19 116.25 116.73 2jva h VAL 96 Ca 0.09 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.33 2jva h VAL 96 Cb 0.03 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2jva h VAL 96 CO -0.07 0.68 0.34 -1.13 0.02 0.00 0.00 177.57 177.41 2jva h ASN 97 N 0.24 0.81 0.27 0.57 -0.73 0.61 -0.04 115.58 117.31 2jva h ASN 97 Ca -0.04 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 2jva h ASN 97 Cb 1.38 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.76 2jva h ASN 97 CO 0.13 0.67 -0.13 0.00 -0.37 0.00 0.00 177.43 177.73 2jva h ALA 98 N 1.46 1.43 0.00 1.57 0.00 -1.13 -0.33 119.26 122.26 2jva h ALA 98 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jva h ALA 98 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jva h ALA 98 CO -0.03 0.16 -0.33 0.00 0.00 0.00 0.00 179.25 179.04 2jva n ALA 99 N -2.35 2.92 0.05 0.00 0.00 -0.10 -3.42 120.51 117.61 2jva n ALA 99 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 2jva n ALA 99 Cb 0.23 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 2jva n ALA 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jva h LYS 100 N 0.00 0.00 -6.07 0.00 1.57 -0.36 -3.45 116.57 108.26 2jva h LYS 100 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2jva h LYS 100 Cb 0.59 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.79 2jva h LYS 100 CO 0.00 0.39 0.57 -0.51 -0.57 0.00 0.00 179.45 179.33 2jva s LEU 101 N -6.01 4.03 0.00 2.94 1.43 -0.83 -5.01 118.68 115.24 2jva s LEU 101 Ca -0.01 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2jva s LEU 101 Cb 0.08 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.21 2jva s LEU 101 CO 0.80 -1.09 0.00 -0.62 0.23 0.00 0.00 176.35 175.67 2jva n GLU 102 N 7.23 3.69 0.00 1.70 1.02 -1.26 -4.97 120.64 128.04 2jva n GLU 102 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2jva n GLU 102 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 2jva n GLU 102 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jva n HIS 103 N 0.00 -1.08 0.00 -0.32 8.25 -1.26 -4.67 115.22 116.14 2jva n HIS 103 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jva n HIS 103 Cb 0.00 0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2jva n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jva n HIS 104 N -0.55 0.00 0.00 4.41 8.25 -1.26 -5.07 115.22 121.00 2jva n HIS 104 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jva n HIS 104 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jva n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jva n HIS 105 N -1.33 0.00 -3.51 4.41 -0.00 -1.26 -4.43 115.22 109.10 2jva n HIS 105 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jva n HIS 105 Cb 0.12 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.94 2jva n HIS 105 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jva s HIS 106 N 0.00 -0.62 -1.07 1.57 3.76 -1.26 -5.01 115.29 112.67 2jva s HIS 106 Ca 0.00 1.13 0.20 0.00 -0.15 0.00 0.00 55.06 56.24 2jva s HIS 106 Cb 0.00 0.37 -0.19 0.00 1.11 0.00 0.00 32.58 33.87 2jva s HIS 106 CO 0.00 -0.30 0.87 0.72 -0.85 0.00 0.00 174.74 175.18 2jva n HIS 107 N 4.39 0.00 -0.68 1.40 8.25 -1.26 -4.91 115.22 122.41 2jva n HIS 107 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2jva n HIS 107 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2jva n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70