#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 6.00 -0.31 -0.89 2.96 0.62 -4.94 118.68 122.12 2jva s LEU 2 Ca 0.00 -2.02 -0.29 0.00 -0.22 0.00 0.00 54.13 51.60 2jva s LEU 2 Cb 0.00 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.44 2jva s LEU 2 CO 0.00 -0.87 1.12 -0.69 -1.32 0.00 0.00 176.35 174.59 2jva s VAL 3 N 1.58 4.43 -0.20 1.68 1.01 -1.26 -0.78 120.40 126.87 2jva s VAL 3 Ca 0.14 1.65 -0.17 0.00 0.00 0.00 0.00 61.98 63.60 2jva s VAL 3 Cb -0.18 -4.36 -0.14 0.00 0.00 0.00 0.00 36.38 31.70 2jva s VAL 3 CO -0.02 -0.48 0.02 -0.38 0.00 0.00 0.00 175.10 174.24 2jva n ILE 4 N 5.93 1.50 -3.19 2.22 2.08 -0.78 -5.00 119.36 122.13 2jva n ILE 4 Ca 0.13 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 2jva n ILE 4 Cb 0.47 -2.12 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 2jva n ILE 4 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2jva n SER 5 N -4.46 0.00 0.06 4.38 3.41 -0.95 -5.00 113.62 111.07 2jva n SER 5 Ca -0.28 -0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 57.59 2jva n SER 5 Cb 0.60 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2jva n SER 5 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2jva h ASN 6 N 0.00 -0.40 -0.39 4.04 4.21 -2.04 -3.19 115.58 117.81 2jva h ASN 6 Ca 0.00 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.57 2jva h ASN 6 Cb 0.00 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2jva h ASN 6 CO 0.00 -0.20 0.00 0.59 -1.29 0.00 0.00 177.43 176.53 2jva n ASN 7 N -5.27 3.50 -4.00 5.81 4.13 -1.26 -4.87 115.26 113.30 2jva n ASN 7 Ca -0.06 -2.34 -0.30 0.00 1.68 0.00 0.00 54.58 53.57 2jva n ASN 7 Cb 0.19 -0.38 -0.16 0.00 -1.54 0.00 0.00 39.78 37.89 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 -1.61 1.55 -0.03 2.41 1.01 -1.21 -5.06 120.40 117.46 2jva s VAL 8 Ca 0.33 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2jva s VAL 8 Cb 0.22 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2jva s VAL 8 CO 0.16 0.31 -0.06 -1.00 0.00 0.00 0.00 175.10 174.51 2jva s HIS 9 N 1.47 0.77 -0.31 5.22 3.76 -1.26 -1.86 115.29 123.07 2jva s HIS 9 Ca 0.02 -0.20 -0.06 0.00 -0.15 0.00 0.00 55.06 54.67 2jva s HIS 9 Cb -0.14 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 32.96 2jva s HIS 9 CO -0.09 -0.13 0.09 -0.51 -0.85 0.00 0.00 174.74 173.24 2jva s LEU 10 N 0.51 4.01 0.42 0.89 1.43 0.04 -4.82 118.68 121.17 2jva s LEU 10 Ca -0.07 -0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 51.88 2jva s LEU 10 Cb -0.11 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 2jva s LEU 10 CO 0.00 -0.24 1.41 -2.84 0.23 0.00 0.00 176.35 174.91 2jva s PRO 11 N 1.46 3.87 0.30 1.29 0.02 -1.26 -0.28 135.00 140.40 2jva s PRO 11 Ca 0.01 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.45 2jva s PRO 11 Cb -0.18 -2.77 0.61 0.00 0.02 0.00 0.00 34.50 32.18 2jva s PRO 11 CO 0.02 -0.66 1.86 -0.44 -0.33 0.00 0.00 177.00 177.46 2jva h ASP 12 N 2.60 0.86 0.41 2.53 3.32 -1.94 -0.84 116.42 123.36 2jva h ASP 12 Ca -0.50 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2jva h ASP 12 Cb 1.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2jva h ASP 12 CO 0.62 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.62 2jva n ALA 13 N -2.38 1.47 1.30 3.45 0.00 -1.26 -1.19 120.51 121.90 2jva n ALA 13 Ca 0.17 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.77 2jva n ALA 13 Cb 0.34 -1.24 0.50 0.00 0.00 0.00 0.00 19.45 19.06 2jva n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jva n GLU 14 N -1.77 0.67 -3.75 0.00 1.02 -0.32 -4.67 120.64 111.82 2jva n GLU 14 Ca 0.02 -0.30 -0.38 0.00 -0.02 0.00 0.00 57.16 56.48 2jva n GLU 14 Cb 0.14 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.54 3.88 -0.59 -3.67 1.01 -0.34 -4.01 121.20 114.95 2jva s ILE 15 Ca 0.25 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 2jva s ILE 15 Cb 0.20 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.59 2jva s ILE 15 CO 0.51 -0.09 0.96 -0.70 0.00 0.00 0.00 174.94 175.62 2jva s GLU 16 N 1.44 3.27 -0.42 2.79 2.56 0.13 -4.99 118.70 123.48 2jva s GLU 16 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 54.97 54.39 2jva s GLU 16 Cb -0.19 -4.10 0.02 0.00 2.00 0.00 0.00 34.13 31.86 2jva s GLU 16 CO 0.03 -1.60 0.45 -0.51 -0.56 0.00 0.00 175.26 173.07 2jva s LEU 17 N 4.05 4.80 0.19 2.70 1.43 -1.26 -1.41 118.68 129.19 2jva s LEU 17 Ca 0.28 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2jva s LEU 17 Cb -0.13 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2jva s LEU 17 CO 0.17 -0.58 -0.12 -0.89 0.23 0.00 0.00 176.35 175.16 2jva s THR 18 N 2.18 3.04 -0.07 5.49 2.01 -0.33 -5.00 115.64 122.96 2jva s THR 18 Ca 0.13 -1.77 0.04 0.00 0.31 0.00 0.00 61.69 60.40 2jva s THR 18 Cb -0.17 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.83 2jva s THR 18 CO 0.14 -0.14 -0.20 0.00 -0.69 0.00 0.00 174.62 173.72 2jva s ALA 19 N -1.78 1.81 -0.21 7.40 0.00 -1.26 0.06 121.76 127.78 2jva s ALA 19 Ca 0.25 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 2jva s ALA 19 Cb -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2jva s ALA 19 CO 0.15 0.28 -0.10 0.42 0.00 0.00 0.00 175.76 176.50 2jva s ILE 20 N 0.23 2.87 0.59 0.00 1.01 -0.16 -4.90 121.20 120.83 2jva s ILE 20 Ca -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2jva s ILE 20 Cb -0.15 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2jva s ILE 20 CO 0.05 0.44 0.88 0.00 0.00 0.00 0.00 174.94 176.31 2jva s ARG 21 N 1.40 2.85 0.15 2.79 1.70 -1.26 -3.97 118.95 122.60 2jva s ARG 21 Ca 0.05 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 54.90 2jva s ARG 21 Cb -0.14 -2.30 -0.07 0.00 -0.57 0.00 0.00 34.95 31.87 2jva s ARG 21 CO -0.07 -0.71 1.05 0.00 -1.08 0.00 0.00 175.30 174.49 2jva s ALA 22 N -2.96 3.32 -0.12 7.88 0.00 -1.25 -4.71 121.76 123.92 2jva s ALA 22 Ca 0.54 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 2jva s ALA 22 Cb -0.10 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2jva s ALA 22 CO 0.44 -0.13 0.25 -1.14 0.00 0.00 0.00 175.76 175.17 2jva s GLN 23 N -0.23 3.93 -0.37 0.00 -0.44 -1.26 -4.87 119.66 116.42 2jva s GLN 23 Ca 0.48 0.04 0.12 0.00 -2.50 0.00 0.00 55.36 53.51 2jva s GLN 23 Cb -0.27 -3.31 0.35 0.00 -1.64 0.00 0.00 33.01 28.14 2jva s GLN 23 CO 0.33 0.50 0.74 0.41 0.50 0.00 0.00 175.29 177.77 2jva n GLY 24 N 2.67 3.54 3.97 2.59 0.00 -1.26 -4.91 105.19 111.79 2jva n GLY 24 Ca -0.15 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.36 4.02 0.00 4.61 0.00 -1.26 -3.86 121.76 122.90 2jva s ALA 25 Ca 0.40 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2jva s ALA 25 Cb 0.35 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2jva s ALA 25 CO -0.08 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2jva n GLY 26 N -1.74 0.96 0.02 0.00 0.00 -1.26 -4.40 105.19 98.77 2jva n GLY 26 Ca -0.01 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.41 2.79 -0.02 0.00 -1.26 -4.63 105.19 100.66 2jva n GLY 27 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.04 0.92 -0.55 1.61 0.74 -1.26 -5.09 119.66 112.99 2jva s GLN 28 Ca 0.11 -0.65 -0.17 0.00 0.05 0.00 0.00 55.36 54.70 2jva s GLN 28 Cb 0.17 -2.23 0.11 0.00 1.10 0.00 0.00 33.01 32.16 2jva s GLN 28 CO 0.63 -0.67 0.57 -0.80 -0.55 0.00 0.00 175.29 174.47 2jva s ASN 29 N 1.71 6.18 -0.41 6.67 0.02 -1.25 -4.15 114.94 123.71 2jva s ASN 29 Ca -0.01 -1.53 -0.08 0.00 -1.02 0.00 0.00 52.86 50.22 2jva s ASN 29 Cb -0.18 -2.25 0.08 0.00 0.02 0.00 0.00 41.25 38.93 2jva s ASN 29 CO -0.10 -0.93 0.24 0.68 0.02 0.00 0.00 177.10 177.02 2jva s VAL 30 N 2.08 4.09 -0.19 1.60 -7.23 -1.25 -4.96 120.40 114.53 2jva s VAL 30 Ca 0.07 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2jva s VAL 30 Cb -0.26 -3.51 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2jva s VAL 30 CO 0.05 -0.49 2.66 0.59 -0.31 0.00 0.00 175.10 177.61 2jva n ASN 31 N 4.88 5.88 -4.45 4.85 4.13 -1.26 -4.53 115.26 124.76 2jva n ASN 31 Ca -0.10 -2.79 -0.23 0.00 1.68 0.00 0.00 54.58 53.14 2jva n ASN 31 Cb 0.43 -1.22 -0.10 0.00 -1.54 0.00 0.00 39.78 37.35 2jva n ASN 31 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2jva s LYS 32 N -0.60 1.61 0.48 3.52 -2.85 -1.26 -5.13 119.74 115.51 2jva s LYS 32 Ca 0.42 -1.73 -0.16 0.00 -1.00 0.00 0.00 55.97 53.50 2jva s LYS 32 Cb 0.25 -1.66 -0.08 0.00 -2.06 0.00 0.00 37.83 34.27 2jva s LYS 32 CO -0.06 0.31 0.94 0.54 0.10 0.00 0.00 175.35 177.18 2jva s VAL 33 N -2.54 4.55 0.23 1.79 0.11 -1.26 -3.80 120.40 119.48 2jva s VAL 33 Ca 0.28 1.16 0.06 0.00 -2.93 0.00 0.00 61.98 60.55 2jva s VAL 33 Cb -0.04 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 2jva s VAL 33 CO 0.13 -0.59 0.22 -0.55 -3.33 0.00 0.00 175.10 170.98 2jva s SER 34 N -2.93 5.71 0.00 3.54 0.15 -1.26 -4.67 113.70 114.24 2jva s SER 34 Ca 0.58 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 57.32 2jva s SER 34 Cb -0.10 -1.52 0.47 0.00 -1.71 0.00 0.00 66.02 63.16 2jva s SER 34 CO 0.28 -0.02 1.42 -1.54 1.20 0.00 0.00 173.24 174.58 2jva n SER 35 N -1.03 2.83 -4.58 5.45 3.41 -1.26 -4.65 113.62 113.80 2jva n SER 35 Ca -0.08 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 2jva n SER 35 Cb 0.57 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.75 2.54 -0.02 7.33 0.00 -1.25 -4.56 121.76 124.06 2jva s ALA 36 Ca 0.34 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 2jva s ALA 36 Cb 0.21 -4.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.14 2jva s ALA 36 CO 0.30 -3.19 0.30 -1.64 0.00 0.00 0.00 175.76 171.53 2jva s MET 37 N 6.31 3.68 -0.29 0.00 -1.94 -0.07 -0.99 119.30 126.00 2jva s MET 37 Ca 0.77 0.11 -0.08 0.00 -1.71 0.00 0.00 55.69 54.77 2jva s MET 37 Cb -0.19 -3.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 2jva s MET 37 CO 0.29 0.69 0.12 -1.58 -0.01 0.00 0.00 175.02 174.52 2jva s HIS 38 N -1.17 3.15 -0.27 -0.03 2.46 0.11 -0.31 115.29 119.23 2jva s HIS 38 Ca 0.24 -0.62 -0.11 0.00 0.47 0.00 0.00 55.06 55.04 2jva s HIS 38 Cb -0.14 -2.30 -0.05 0.00 -0.13 0.00 0.00 32.58 29.96 2jva s HIS 38 CO 0.12 -0.46 0.18 -1.17 -2.47 0.00 0.00 174.74 170.94 2jva s LEU 39 N 1.59 3.96 -0.28 8.88 2.96 -0.85 -1.18 118.68 133.76 2jva s LEU 39 Ca 0.05 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2jva s LEU 39 Cb -0.17 -2.10 0.06 0.00 0.50 0.00 0.00 46.19 44.48 2jva s LEU 39 CO 0.05 -0.04 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.37 2jva s ARG 40 N 1.70 2.30 -0.33 1.98 3.52 -0.50 -2.74 118.95 124.88 2jva s ARG 40 Ca 0.07 -1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 54.31 2jva s ARG 40 Cb -0.16 -3.00 0.05 0.00 -1.56 0.00 0.00 34.95 30.29 2jva s ARG 40 CO 0.10 -0.59 0.07 0.12 -0.81 0.00 0.00 175.30 174.19 2jva s PHE 41 N 1.15 3.30 -0.74 5.12 5.36 -0.73 -0.70 117.98 130.75 2jva s PHE 41 Ca -0.07 -1.74 -0.26 0.00 -0.96 0.00 0.00 56.93 53.90 2jva s PHE 41 Cb -0.20 -2.33 -0.00 0.00 -0.34 0.00 0.00 43.02 40.15 2jva s PHE 41 CO -0.04 -0.79 1.67 -0.51 -1.46 0.00 0.00 175.22 174.09 2jva s ASP 42 N 1.41 5.63 0.29 6.13 1.11 -1.26 0.23 116.67 130.21 2jva s ASP 42 Ca -0.02 -0.24 0.02 0.00 0.18 0.00 0.00 52.55 52.48 2jva s ASP 42 Cb -0.20 -2.55 0.56 0.00 1.07 0.00 0.00 42.92 41.80 2jva s ASP 42 CO 0.00 -2.19 1.84 0.40 1.18 0.00 0.00 175.17 176.40 2jva h ILE 43 N 6.69 0.92 0.51 0.77 2.04 -0.35 -0.13 117.51 127.97 2jva h ILE 43 Ca -0.16 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2jva h ILE 43 Cb 1.09 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jva h ILE 43 CO 1.26 0.18 -0.25 -1.13 0.00 0.00 0.00 178.15 178.21 2jva h ASN 44 N 0.99 -0.58 1.65 1.72 -1.24 -1.45 -3.30 115.58 113.36 2jva h ASN 44 Ca 0.50 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.42 2jva h ASN 44 Cb 0.49 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.69 2jva h ASN 44 CO -0.26 -0.22 -0.08 0.00 -1.29 0.00 0.00 177.43 175.57 2jva h ALA 45 N -0.73 0.96 -2.56 1.57 0.00 -1.78 -3.46 119.26 113.25 2jva h ALA 45 Ca -0.07 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 2jva h ALA 45 Cb 0.61 -0.01 0.16 0.00 0.00 0.00 0.00 17.79 18.55 2jva h ALA 45 CO 0.12 0.11 0.35 -1.54 0.00 0.00 0.00 179.25 178.29 2jva s SER 46 N -6.14 4.07 0.00 0.00 1.04 -0.07 -4.88 113.70 107.72 2jva s SER 46 Ca 0.05 2.25 0.04 0.00 0.48 0.00 0.00 55.95 58.78 2jva s SER 46 Cb 0.07 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.86 2jva s SER 46 CO 0.65 -2.34 0.96 -0.24 0.98 0.00 0.00 173.24 173.24 2jva n SER 47 N -3.03 0.00 -4.76 7.02 2.88 -1.26 -4.84 113.62 109.63 2jva n SER 47 Ca 0.13 -1.41 -0.41 0.00 -1.33 0.00 0.00 58.87 55.85 2jva n SER 47 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.17 4.40 0.72 2.46 1.43 -1.26 -4.91 118.68 120.34 2jva s LEU 48 Ca 0.06 2.71 -0.16 0.00 -1.03 0.00 0.00 54.13 55.71 2jva s LEU 48 Cb 0.03 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2jva s LEU 48 CO 0.05 -0.64 0.80 -0.81 0.23 0.00 0.00 176.35 175.98 2jva n PRO 49 N 1.49 0.43 -0.17 1.29 -0.04 -1.26 -4.77 135.00 131.98 2jva n PRO 49 Ca 0.03 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2jva n PRO 49 Cb 0.41 -2.07 0.47 0.00 -0.04 0.00 0.00 33.50 32.27 2jva n PRO 49 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2jva h PRO 50 N -0.28 0.46 -0.54 0.54 0.11 -1.97 -1.38 132.00 128.94 2jva h PRO 50 Ca -0.47 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 2jva h PRO 50 Cb 1.34 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 2jva h PRO 50 CO 0.45 0.31 0.17 0.35 -0.21 0.00 0.00 178.00 179.07 2jva h PHE 51 N 0.48 0.28 -0.23 0.65 3.57 -2.00 0.23 116.94 119.92 2jva h PHE 51 Ca 0.36 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.72 2jva h PHE 51 Cb 0.74 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2jva h PHE 51 CO -0.00 0.06 -0.55 1.88 -2.23 0.00 0.00 178.31 177.47 2jva h TYR 52 N 0.33 0.87 -0.60 0.41 -1.99 -1.62 -2.51 116.97 111.86 2jva h TYR 52 Ca 0.27 -0.31 0.04 0.00 2.00 0.00 0.00 58.73 60.73 2jva h TYR 52 Cb 0.33 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 2jva h TYR 52 CO -0.19 1.09 0.35 0.87 -0.00 0.00 0.00 178.16 180.28 2jva h LYS 53 N 0.53 0.66 -0.34 4.88 1.57 -0.83 -1.98 116.57 121.07 2jva h LYS 53 Ca 0.01 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2jva h LYS 53 Cb 1.12 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 2jva h LYS 53 CO 0.11 0.44 0.12 0.93 -0.57 0.00 0.00 179.45 180.47 2jva h GLU 54 N 0.68 0.25 -0.22 3.15 5.08 -0.37 0.70 114.58 123.85 2jva h GLU 54 Ca 0.25 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2jva h GLU 54 Cb 0.08 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2jva h GLU 54 CO -0.13 0.17 0.06 0.00 -1.00 0.00 0.00 179.01 178.11 2jva h ARG 55 N 0.26 0.15 -0.31 2.33 2.47 -1.17 0.58 114.38 118.68 2jva h ARG 55 Ca 0.15 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 2jva h ARG 55 Cb 0.13 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2jva h ARG 55 CO -0.16 0.10 0.07 -0.07 0.56 0.00 0.00 179.97 180.47 2jva h LEU 56 N 0.15 0.48 -1.23 3.04 3.38 -1.05 -2.76 115.31 117.32 2jva h LEU 56 Ca 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2jva h LEU 56 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2jva h LEU 56 CO -0.12 0.60 -0.04 -0.07 0.09 0.00 0.00 178.44 178.90 2jva h LEU 57 N 0.35 0.45 -2.18 1.67 4.07 -0.71 -2.38 115.31 116.56 2jva h LEU 57 Ca 0.10 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2jva h LEU 57 Cb 0.31 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2jva h LEU 57 CO 0.00 0.55 0.00 0.00 -1.08 0.00 0.00 178.44 177.91 2jva n ALA 58 N -2.48 3.12 -1.82 1.53 0.00 0.18 -4.92 120.51 116.12 2jva n ALA 58 Ca 0.01 -0.93 -0.32 0.00 0.00 0.00 0.00 53.44 52.21 2jva n ALA 58 Cb 0.26 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.34 3.43 -0.14 0.00 2.96 -0.90 -4.80 118.68 117.89 2jva s LEU 59 Ca 0.27 1.54 0.15 0.00 -0.22 0.00 0.00 54.13 55.87 2jva s LEU 59 Cb 0.20 -4.50 0.67 0.00 0.50 0.00 0.00 46.19 43.07 2jva s LEU 59 CO 0.09 -0.80 1.56 0.59 -1.32 0.00 0.00 176.35 176.47 2jva n ASN 60 N -2.16 4.58 -4.72 3.68 5.03 -1.25 -4.90 115.26 115.52 2jva n ASN 60 Ca 0.07 -2.53 -0.35 0.00 0.87 0.00 0.00 54.58 52.63 2jva n ASN 60 Cb 0.54 -0.59 -0.08 0.00 -1.02 0.00 0.00 39.78 38.63 2jva n ASN 60 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2jva s ASP 61 N -0.79 5.88 0.00 6.41 -1.08 -1.24 -2.76 116.67 123.09 2jva s ASP 61 Ca 0.46 0.21 0.29 0.00 -0.52 0.00 0.00 52.55 53.00 2jva s ASP 61 Cb 0.32 -1.95 1.61 0.00 -1.46 0.00 0.00 42.92 41.44 2jva s ASP 61 CO 0.19 0.26 2.04 -1.20 0.52 0.00 0.00 175.17 176.99 2jva n SER 62 N 2.97 0.00 -0.03 -0.34 7.64 -1.26 -1.92 113.62 120.68 2jva n SER 62 Ca -0.18 -0.56 0.14 0.00 1.01 0.00 0.00 58.87 59.29 2jva n SER 62 Cb 0.53 -0.13 0.67 0.00 -1.01 0.00 0.00 64.21 64.27 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 -1.13 0.40 -2.85 1.43 1.74 -1.26 -4.65 116.66 110.33 2jva n ARG 63 Ca 0.18 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2jva n ARG 63 Cb 0.16 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.65 4.63 0.12 0.55 -1.09 -0.81 -3.61 121.20 118.35 2jva s ILE 64 Ca 0.25 1.08 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 2jva s ILE 64 Cb 0.20 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2jva s ILE 64 CO 0.49 -0.52 0.27 0.42 -1.23 0.00 0.00 174.94 174.38 2jva s THR 65 N 3.37 5.33 -0.16 2.92 -4.23 -1.20 -4.98 115.64 116.69 2jva s THR 65 Ca 0.36 -0.53 0.27 0.00 -1.18 0.00 0.00 61.69 60.61 2jva s THR 65 Cb -0.12 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.30 2jva s THR 65 CO 0.18 -0.02 1.82 0.28 -0.54 0.00 0.00 174.62 176.34 2jva h SER 66 N 2.47 0.00 0.54 3.99 0.02 -1.96 -0.75 113.55 117.85 2jva h SER 66 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2jva h SER 66 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2jva h SER 66 CO 0.71 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.87 2jva n ASP 67 N -2.47 0.00 -1.79 3.07 9.92 -1.26 -4.87 116.55 119.15 2jva n ASP 67 Ca 0.00 0.39 -0.07 0.00 -0.53 0.00 0.00 54.79 54.58 2jva n ASP 67 Cb 0.15 -0.45 0.03 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.29 0.24 2.92 0.44 0.00 -0.29 -4.68 105.19 104.12 2jva n GLY 68 Ca 0.05 -0.30 -0.17 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 -3.12 0.43 -0.29 1.61 1.01 -1.25 0.45 120.40 119.23 2jva s VAL 69 Ca 0.08 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 2jva s VAL 69 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2jva s VAL 69 CO 0.26 0.16 0.84 -0.63 0.00 0.00 0.00 175.10 175.73 2jva s ILE 70 N 0.36 4.77 -0.15 2.22 -1.09 0.13 -3.23 121.20 124.22 2jva s ILE 70 Ca -0.04 1.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.77 2jva s ILE 70 Cb -0.08 -4.18 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2jva s ILE 70 CO -0.00 -0.23 -0.18 0.54 -1.23 0.00 0.00 174.94 173.84 2jva s VAL 71 N 3.02 1.82 0.33 2.92 0.11 -1.24 -1.77 120.40 125.59 2jva s VAL 71 Ca 0.35 -0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 58.47 2jva s VAL 71 Cb -0.14 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.08 2jva s VAL 71 CO 0.11 0.50 0.60 -1.48 -3.33 0.00 0.00 175.10 171.51 2jva s LEU 72 N 1.13 0.38 -0.10 2.54 2.34 -1.11 -4.89 118.68 118.97 2jva s LEU 72 Ca -0.01 -1.14 -0.03 0.00 0.06 0.00 0.00 54.13 53.01 2jva s LEU 72 Cb -0.14 2.12 0.04 0.00 -0.56 0.00 0.00 46.19 47.65 2jva s LEU 72 CO -0.07 -1.39 0.04 -0.54 -1.06 0.00 0.00 176.35 173.34 2jva s LYS 73 N -3.16 0.30 -0.49 1.48 1.02 -1.26 -2.01 119.74 115.63 2jva s LYS 73 Ca 0.22 0.06 -0.20 0.00 0.02 0.00 0.00 55.97 56.07 2jva s LYS 73 Cb -0.03 -1.20 0.05 0.00 -0.52 0.00 0.00 37.83 36.13 2jva s LYS 73 CO 0.13 -0.44 0.64 0.00 -0.92 0.00 0.00 175.35 174.76 2jva s ALA 74 N 2.04 3.36 -0.12 5.17 0.00 0.58 -4.85 121.76 127.95 2jva s ALA 74 Ca 0.03 -1.56 0.15 0.00 0.00 0.00 0.00 51.96 50.58 2jva s ALA 74 Cb -0.14 -3.35 0.27 0.00 0.00 0.00 0.00 23.12 19.90 2jva s ALA 74 CO -0.06 -1.96 1.14 0.00 0.00 0.00 0.00 175.76 174.88 2jva n GLN 75 N 6.26 1.07 0.10 0.00 10.64 -1.26 -0.90 117.38 133.30 2jva n GLN 75 Ca -0.05 -2.42 -0.13 0.00 -1.83 0.00 0.00 57.00 52.57 2jva n GLN 75 Cb 0.46 -1.29 -0.08 0.00 -0.86 0.00 0.00 30.24 28.47 2jva n GLN 75 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2jva h GLN 76 N 0.21 -0.23 -6.71 2.61 5.75 -1.88 -3.46 115.11 111.41 2jva h GLN 76 Ca -0.01 0.02 -0.44 0.00 -0.15 0.00 0.00 58.65 58.07 2jva h GLN 76 Cb 1.11 0.05 0.04 0.00 1.07 0.00 0.00 27.48 29.75 2jva h GLN 76 CO 0.00 0.02 -0.11 0.71 -2.65 0.00 0.00 178.83 176.81 2jva s TYR 77 N -5.25 2.63 0.08 3.99 2.02 -1.26 -5.03 117.35 114.52 2jva s TYR 77 Ca -0.15 -0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.17 2jva s TYR 77 Cb 0.03 -2.60 -0.14 0.00 -0.40 0.00 0.00 41.96 38.86 2jva s TYR 77 CO 0.62 -0.81 1.32 -0.09 -1.57 0.00 0.00 175.55 175.03 2jva h ARG 78 N 0.22 0.63 -6.12 -0.62 2.43 -1.96 -3.45 114.38 105.52 2jva h ARG 78 Ca -0.40 -0.43 -0.51 0.00 -0.81 0.00 0.00 59.98 57.83 2jva h ARG 78 Cb 1.29 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2jva h ARG 78 CO 0.48 1.05 -0.44 0.95 -1.51 0.00 0.00 179.97 180.50 2jva s THR 79 N -3.99 5.29 0.14 0.20 -4.23 -1.26 -4.52 115.64 107.27 2jva s THR 79 Ca -0.12 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 2jva s THR 79 Cb 0.07 -3.79 -0.06 0.00 1.34 0.00 0.00 72.50 70.07 2jva s THR 79 CO 0.84 -0.20 1.45 1.56 -0.54 0.00 0.00 174.62 177.73 2jva h GLN 80 N 1.75 0.92 0.00 3.99 4.20 -1.88 -3.10 115.11 120.99 2jva h GLN 80 Ca -0.50 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 57.66 2jva h GLN 80 Cb 1.21 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 2jva h GLN 80 CO 0.66 1.17 -0.14 0.93 -0.67 0.00 0.00 178.83 180.78 2jva h GLU 81 N 0.74 0.00 -0.09 1.46 3.07 -1.95 0.43 114.58 118.24 2jva h GLU 81 Ca 0.05 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 2jva h GLU 81 Cb 1.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2jva h GLU 81 CO 0.10 0.14 -0.15 1.96 -1.40 0.00 0.00 179.01 179.67 2jva h GLN 82 N 0.00 0.26 0.00 2.33 1.08 -1.95 -2.20 115.11 114.62 2jva h GLN 82 Ca -0.00 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 56.98 2jva h GLN 82 Cb 0.26 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2jva h GLN 82 CO 0.02 0.73 -0.29 -0.91 -0.95 0.00 0.00 178.83 177.43 2jva h ASN 83 N -0.19 0.00 -0.03 1.46 2.35 -1.37 0.18 115.58 117.98 2jva h ASN 83 Ca 0.01 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2jva h ASN 83 Cb 0.72 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 2jva h ASN 83 CO 0.03 0.29 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.80 2jva h ARG 84 N 0.00 -0.31 -0.21 0.81 2.43 -0.04 0.14 114.38 117.19 2jva h ARG 84 Ca -0.00 0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 2jva h ARG 84 Cb 0.56 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2jva h ARG 84 CO 0.04 -0.20 -0.55 0.00 -1.51 0.00 0.00 179.97 177.75 2jva h ALA 85 N 0.59 0.64 0.14 2.80 0.00 -0.90 -3.03 119.26 119.51 2jva h ALA 85 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2jva h ALA 85 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jva h ALA 85 CO -0.22 0.69 -0.22 0.22 0.00 0.00 0.00 179.25 179.72 2jva h ASP 86 N 0.49 -0.60 -0.80 0.00 3.58 -0.36 0.21 116.42 118.95 2jva h ASP 86 Ca 0.01 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.58 2jva h ASP 86 Cb 1.11 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 42.32 2jva h ASP 86 CO 0.11 -0.31 0.49 0.00 -2.88 0.00 0.00 179.24 176.65 2jva h ALA 87 N 0.34 1.08 -0.55 -0.78 0.00 -0.79 -0.35 119.26 118.21 2jva h ALA 87 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2jva h ALA 87 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jva h ALA 87 CO -0.10 0.23 0.09 -0.07 0.00 0.00 0.00 179.25 179.39 2jva h LEU 88 N 0.90 0.88 -0.04 0.00 3.38 -1.33 -0.20 115.31 118.90 2jva h LEU 88 Ca 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jva h LEU 88 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2jva h LEU 88 CO -0.16 0.92 0.01 0.25 0.09 0.00 0.00 178.44 179.55 2jva h LEU 89 N 0.80 0.06 -1.54 1.67 5.85 -0.33 -1.23 115.31 120.60 2jva h LEU 89 Ca 0.17 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2jva h LEU 89 Cb 0.41 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2jva h LEU 89 CO 0.01 0.22 -0.23 0.03 -0.34 0.00 0.00 178.44 178.13 2jva h ARG 90 N -0.11 0.00 0.12 1.25 3.08 -1.01 -0.71 114.38 117.01 2jva h ARG 90 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2jva h ARG 90 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2jva h ARG 90 CO -0.00 0.23 -0.06 1.25 -1.07 0.00 0.00 179.97 180.33 2jva h LEU 91 N 0.00 -0.14 -1.15 3.04 5.85 -0.71 -0.70 115.31 121.50 2jva h LEU 91 Ca -0.00 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2jva h LEU 91 Cb 0.42 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2jva h LEU 91 CO 0.03 0.19 0.29 0.77 -0.34 0.00 0.00 178.44 179.38 2jva h SER 92 N -0.48 0.80 -0.67 1.25 4.64 -0.86 -1.83 113.55 116.40 2jva h SER 92 Ca -0.02 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 2jva h SER 92 Cb 0.39 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 2jva h SER 92 CO 0.03 0.69 0.17 -0.33 -0.87 0.00 0.00 176.83 176.52 2jva h GLU 93 N 0.89 1.07 -0.93 4.77 5.08 -1.08 -2.89 114.58 121.49 2jva h GLU 93 Ca 0.22 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jva h GLU 93 Cb 0.11 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2jva h GLU 93 CO -0.03 0.95 0.56 1.25 -1.00 0.00 0.00 179.01 180.75 2jva h LEU 94 N 1.00 1.11 -0.60 1.33 5.85 -0.32 0.25 115.31 123.94 2jva h LEU 94 Ca 0.21 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jva h LEU 94 Cb 0.36 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2jva h LEU 94 CO 0.00 0.85 0.37 0.40 -0.34 0.00 0.00 178.44 179.72 2jva h ILE 95 N 1.28 1.08 -0.05 4.05 2.04 -1.20 0.10 117.51 124.81 2jva h ILE 95 Ca 0.33 -0.25 -0.22 0.00 1.00 0.00 0.00 64.86 65.73 2jva h ILE 95 Cb -0.06 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2jva h ILE 95 CO -0.06 0.13 -0.86 0.58 0.00 0.00 0.00 178.15 177.94 2jva h VAL 96 N 0.72 1.35 -0.44 1.67 2.07 -1.30 -3.19 116.25 117.14 2jva h VAL 96 Ca 0.24 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 2jva h VAL 96 Cb 0.01 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2jva h VAL 96 CO -0.10 0.68 0.26 0.78 0.02 0.00 0.00 177.57 179.22 2jva h ASN 97 N 0.33 0.52 0.61 0.57 2.35 -0.03 -2.04 115.58 117.90 2jva h ASN 97 Ca -0.07 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2jva h ASN 97 Cb 1.47 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2jva h ASN 97 CO 0.16 0.42 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 2jva h ALA 98 N 1.12 1.00 0.01 -0.83 0.00 -0.86 0.01 119.26 119.71 2jva h ALA 98 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 2jva h ALA 98 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jva h ALA 98 CO -0.03 0.00 -1.08 0.00 0.00 0.00 0.00 179.25 178.14 2jva h ALA 99 N 2.10 0.38 0.00 0.00 0.00 -1.36 -3.33 119.26 117.06 2jva h ALA 99 Ca 0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 54.91 53.77 2jva h ALA 99 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2jva h ALA 99 CO 0.00 1.27 -1.56 1.63 0.00 0.00 0.00 179.25 180.60 2jva n LYS 100 N -3.33 0.63 -2.77 0.00 5.02 -0.67 -4.97 118.16 112.07 2jva n LYS 100 Ca -0.02 0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 2jva n LYS 100 Cb 0.95 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.19 2jva n LYS 100 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jva n LEU 101 N -2.83 0.00 0.20 -0.35 4.77 -0.10 -5.06 117.00 113.63 2jva n LEU 101 Ca -0.12 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 2jva n LEU 101 Cb 0.86 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2jva n LEU 101 CO 0.43 -0.30 0.00 1.21 -1.33 0.00 0.00 177.39 177.40 2jva n GLU 102 N -0.82 0.00 -3.12 3.23 2.13 -1.26 -4.76 120.64 116.04 2jva n GLU 102 Ca -0.04 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.34 2jva n GLU 102 Cb 0.27 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.92 2jva n GLU 102 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jva s HIS 103 N -2.00 3.02 -0.36 4.31 3.76 -1.26 -3.92 115.29 118.84 2jva s HIS 103 Ca 0.00 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2jva s HIS 103 Cb 0.00 -3.56 0.13 0.00 1.11 0.00 0.00 32.58 30.26 2jva s HIS 103 CO 0.00 -1.04 0.19 -1.58 -0.85 0.00 0.00 174.74 171.46 2jva s HIS 104 N 2.80 1.15 -0.48 1.40 2.46 -1.26 -4.99 115.29 116.37 2jva s HIS 104 Ca 0.18 -1.76 -0.29 0.00 0.47 0.00 0.00 55.06 53.66 2jva s HIS 104 Cb -0.18 -1.29 0.02 0.00 -0.13 0.00 0.00 32.58 31.00 2jva s HIS 104 CO 0.14 -0.82 1.25 -1.58 -2.47 0.00 0.00 174.74 171.25 2jva s HIS 105 N 1.09 2.62 -0.10 3.88 2.46 -1.26 -3.62 115.29 120.35 2jva s HIS 105 Ca 0.15 0.64 -0.06 0.00 0.47 0.00 0.00 55.06 56.26 2jva s HIS 105 Cb -0.22 -4.41 -0.05 0.00 -0.13 0.00 0.00 32.58 27.77 2jva s HIS 105 CO -0.08 -1.59 -0.16 1.58 -2.47 0.00 0.00 174.74 172.03 2jva n HIS 106 N 8.37 0.00 -0.46 3.88 -0.00 -1.11 -5.01 115.22 120.89 2jva n HIS 106 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2jva n HIS 106 Cb 0.49 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 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 -3.62 0.00 -0.56 1.57 -0.00 -1.25 -4.96 115.22 106.40 2jva n HIS 107 Ca -0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.97 2jva n HIS 107 Cb 0.59 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 2jva n HIS 107 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38