#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrs n GLY 2 N 0.00 2.04 5.00 -5.12 0.00 -1.26 -4.84 105.19 101.02 2jrs n GLY 2 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jrs n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jrs n HIS 3 N 0.00 0.00 -1.55 1.61 -0.00 -1.26 -4.89 115.22 109.13 2jrs n HIS 3 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 2jrs n HIS 3 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2jrs n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jrs n HIS 4 N 0.00 1.02 -3.71 4.41 1.44 -1.26 -4.87 115.22 112.25 2jrs n HIS 4 Ca 0.00 0.01 -0.30 0.00 -2.01 0.00 0.00 57.72 55.42 2jrs n HIS 4 Cb 0.00 -2.32 -0.15 0.00 0.12 0.00 0.00 29.99 27.64 2jrs n HIS 4 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jrs s HIS 5 N 12.34 1.59 -0.41 -1.40 3.76 -1.26 -4.83 115.29 125.08 2jrs s HIS 5 Ca 1.00 -1.73 0.03 0.00 -0.15 0.00 0.00 55.06 54.21 2jrs s HIS 5 Cb -0.26 -1.64 0.28 0.00 1.11 0.00 0.00 32.58 32.06 2jrs s HIS 5 CO 0.18 -0.86 1.12 -2.39 -0.85 0.00 0.00 174.74 171.94 2jrs n HIS 6 N 4.72 -1.89 -2.13 1.40 -0.00 -1.26 -4.94 115.22 111.12 2jrs n HIS 6 Ca -0.01 -1.31 -0.17 0.00 -0.00 0.00 0.00 57.72 56.24 2jrs n HIS 6 Cb 0.41 1.36 -0.03 0.00 -0.00 0.00 0.00 29.99 31.73 2jrs n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jrs n HIS 7 N 1.22 -0.90 0.00 -1.40 8.25 -1.26 -3.62 115.22 117.51 2jrs n HIS 7 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2jrs n HIS 7 Cb 0.69 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 28.53 2jrs n HIS 7 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrs n HIS 8 N -3.21 0.00 -2.10 4.41 8.25 -1.26 -4.74 115.22 116.57 2jrs n HIS 8 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 2jrs n HIS 8 Cb 0.62 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 2jrs n HIS 8 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jrs n SER 9 N 1.02 -2.95 -4.74 0.41 7.64 -1.24 -4.89 113.62 108.86 2jrs n SER 9 Ca 0.00 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.73 2jrs n SER 9 Cb 0.00 -2.64 -0.03 0.00 -1.01 0.00 0.00 64.21 60.53 2jrs n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jrs s HIS 10 N -2.25 3.32 0.23 1.43 2.46 -1.26 -4.95 115.29 114.26 2jrs s HIS 10 Ca 0.00 1.37 -0.32 0.00 0.47 0.00 0.00 55.06 56.58 2jrs s HIS 10 Cb 0.00 -3.52 -0.13 0.00 -0.13 0.00 0.00 32.58 28.80 2jrs s HIS 10 CO 0.00 -1.51 1.52 0.00 -2.47 0.00 0.00 174.74 172.28 2jrs n MET 11 N 2.17 2.29 0.00 2.88 3.85 -1.26 -4.96 117.12 122.09 2jrs n MET 11 Ca 0.04 0.82 0.00 0.00 -1.00 0.00 0.00 57.70 57.56 2jrs n MET 11 Cb 0.43 -2.55 0.00 0.00 -1.05 0.00 0.00 33.22 30.05 2jrs n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jrs n ALA 12 N 2.50 0.00 1.51 3.17 0.00 -1.26 -5.01 120.51 121.42 2jrs n ALA 12 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.57 2jrs n ALA 12 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.80 2jrs n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrs n ALA 13 N -3.00 2.53 -2.83 0.00 0.00 -1.26 -4.82 120.51 111.13 2jrs n ALA 13 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 2jrs n ALA 13 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2jrs n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrs s ALA 14 N -1.67 3.74 0.00 0.00 0.00 -1.26 -5.08 121.76 117.49 2jrs s ALA 14 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2jrs s ALA 14 Cb 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2jrs s ALA 14 CO 0.02 0.73 0.00 -1.33 0.00 0.00 0.00 175.76 175.18 2jrs n MET 15 N 0.95 0.00 -3.19 0.00 0.00 -1.26 -5.06 117.12 108.55 2jrs n MET 15 Ca -0.11 0.01 -0.00 0.00 0.00 0.00 0.00 57.70 57.60 2jrs n MET 15 Cb 0.52 -0.22 0.01 0.00 0.00 0.00 0.00 33.22 33.53 2jrs n MET 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jrs n ALA 16 N -1.19 -2.13 0.05 3.04 0.00 -1.26 -5.04 120.51 113.98 2jrs n ALA 16 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 2jrs n ALA 16 Cb 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 2jrs n ALA 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jrs h ASN 17 N 1.35 0.73 -3.58 0.00 2.35 -2.02 -3.44 115.58 110.96 2jrs h ASN 17 Ca -0.17 -0.57 -0.38 0.00 -0.55 0.00 0.00 56.30 54.64 2jrs h ASN 17 Cb 0.81 -0.22 -0.33 0.00 0.05 0.00 0.00 38.32 38.63 2jrs h ASN 17 CO 0.23 1.36 -0.76 0.54 -1.65 0.00 0.00 177.43 177.15 2jrs s ASN 18 N -7.17 0.76 0.01 5.81 6.03 -1.26 -5.07 114.94 114.06 2jrs s ASN 18 Ca -0.08 -0.10 -0.03 0.00 -1.03 0.00 0.00 52.86 51.62 2jrs s ASN 18 Cb 0.08 -0.31 -0.01 0.00 -3.03 0.00 0.00 41.25 37.97 2jrs s ASN 18 CO 0.89 -0.03 -0.06 -0.11 -2.03 0.00 0.00 177.10 175.76 2jrs n LEU 19 N 3.79 0.94 0.01 3.54 7.94 -1.26 -4.84 117.00 127.12 2jrs n LEU 19 Ca -0.23 0.13 -0.18 0.00 -1.11 0.00 0.00 56.01 54.63 2jrs n LEU 19 Cb 0.52 -0.32 -0.12 0.00 0.53 0.00 0.00 43.42 44.04 2jrs n LEU 19 CO 0.24 -0.39 0.23 1.56 -1.11 0.00 0.00 177.39 177.91 2jrs h GLN 20 N -0.18 0.36 -4.76 1.96 1.08 -2.01 -3.42 115.11 108.14 2jrs h GLN 20 Ca -0.05 -0.42 -0.68 0.00 -1.45 0.00 0.00 58.65 56.06 2jrs h GLN 20 Cb 0.52 0.13 -0.36 0.00 -0.05 0.00 0.00 27.48 27.72 2jrs h GLN 20 CO -0.03 1.11 -0.72 0.15 -0.95 0.00 0.00 178.83 178.39 2jrs s LYS 21 N -3.04 2.15 0.00 1.46 1.02 -1.26 -4.96 119.74 115.12 2jrs s LYS 21 Ca -0.14 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.39 2jrs s LYS 21 Cb 0.03 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2jrs s LYS 21 CO 0.81 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 2jrs n GLY 22 N 4.49 0.13 2.50 -3.33 0.00 -1.26 -4.87 105.19 102.84 2jrs n GLY 22 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2jrs n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrs n SER 23 N -0.77 -4.81 -1.65 1.61 2.88 -1.26 -4.81 113.62 104.81 2jrs n SER 23 Ca 0.00 0.32 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 2jrs n SER 23 Cb 0.00 -3.90 0.18 0.00 -0.75 0.00 0.00 64.21 59.74 2jrs n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jrs n ALA 24 N 0.98 4.09 -3.63 -1.46 0.00 -1.26 -4.82 120.51 114.41 2jrs n ALA 24 Ca -0.13 -1.65 -0.38 0.00 0.00 0.00 0.00 53.44 51.28 2jrs n ALA 24 Cb 0.54 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 2jrs n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jrs s GLY 25 N -0.51 2.00 0.72 0.00 0.00 -1.26 -5.10 107.32 103.17 2jrs s GLY 25 Ca 0.37 -2.46 -0.09 0.00 0.00 0.00 0.00 44.72 42.54 2jrs s GLY 25 CO 0.09 1.04 1.07 2.56 0.00 0.00 0.00 173.10 177.85 2jrs s PRO 26 N 1.26 2.37 -0.14 2.90 0.04 -1.26 -4.70 135.00 135.46 2jrs s PRO 26 Ca 0.06 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.16 2jrs s PRO 26 Cb -0.24 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2jrs s PRO 26 CO -0.02 -1.23 -0.16 1.41 0.04 0.00 0.00 177.00 177.03 2jrs s MET 27 N -5.34 2.45 -0.15 4.56 1.75 -0.19 -4.96 119.30 117.43 2jrs s MET 27 Ca 0.59 -0.63 -0.06 0.00 -1.25 0.00 0.00 55.69 54.34 2jrs s MET 27 Cb -0.11 -2.12 -0.04 0.00 2.84 0.00 0.00 34.83 35.40 2jrs s MET 27 CO 0.48 -0.13 0.05 0.50 -0.65 0.00 0.00 175.02 175.26 2jrs s ARG 28 N 1.17 3.67 -0.07 4.11 3.52 -1.26 -0.76 118.95 129.33 2jrs s ARG 28 Ca -0.01 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 2jrs s ARG 28 Cb -0.14 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2jrs s ARG 28 CO -0.06 0.43 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.35 2jrs s LEU 29 N -0.09 3.54 -0.32 -0.88 1.43 0.63 -3.10 118.68 119.89 2jrs s LEU 29 Ca 0.06 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 2jrs s LEU 29 Cb -0.12 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2jrs s LEU 29 CO 0.01 0.37 0.27 -0.47 0.23 0.00 0.00 176.35 176.75 2jrs s TYR 30 N -0.90 3.22 -0.11 0.29 5.04 0.11 -0.65 117.35 124.34 2jrs s TYR 30 Ca 0.14 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 2jrs s TYR 30 Cb -0.11 -2.50 -0.01 0.00 0.35 0.00 0.00 41.96 39.68 2jrs s TYR 30 CO 0.03 -0.31 -0.16 0.08 -1.34 0.00 0.00 175.55 173.85 2jrs s VAL 31 N 1.83 2.78 -0.25 3.14 1.01 0.02 -0.74 120.40 128.18 2jrs s VAL 31 Ca 0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2jrs s VAL 31 Cb -0.17 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.15 2jrs s VAL 31 CO 0.11 0.54 0.05 -0.83 0.00 0.00 0.00 175.10 174.97 2jrs s GLY 32 N 0.26 0.96 0.00 4.51 0.00 0.25 -0.66 107.32 112.63 2jrs s GLY 32 Ca -0.11 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2jrs s GLY 32 CO 0.06 1.44 0.08 -1.26 0.00 0.00 0.00 173.10 173.41 2jrs n SER 33 N 4.90 0.00 -4.48 1.64 2.88 -0.28 -3.13 113.62 115.14 2jrs n SER 33 Ca -0.06 -0.25 -0.43 0.00 -1.33 0.00 0.00 58.87 56.80 2jrs n SER 33 Cb 0.44 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 2jrs n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jrs s LEU 34 N 0.00 4.67 -1.60 2.46 1.43 -0.13 -4.91 118.68 120.61 2jrs s LEU 34 Ca 0.00 -2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 50.85 2jrs s LEU 34 Cb 0.00 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 2jrs s LEU 34 CO 0.00 -1.09 2.86 0.00 0.23 0.00 0.00 176.35 178.35 2jrs n HIS 35 N 6.95 2.53 -0.83 0.29 1.44 -1.26 -3.49 115.22 120.85 2jrs n HIS 35 Ca 0.30 -3.07 0.00 0.00 -2.01 0.00 0.00 57.72 52.94 2jrs n HIS 35 Cb 0.48 -2.46 0.00 0.00 0.12 0.00 0.00 29.99 28.13 2jrs n HIS 35 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2jrs n PHE 36 N 3.69 0.00 -0.25 -1.40 7.35 -1.26 -4.64 117.46 120.96 2jrs n PHE 36 Ca 0.75 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 2jrs n PHE 36 Cb 0.25 -1.77 0.00 0.00 0.35 0.00 0.00 39.48 38.31 2jrs n PHE 36 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2jrs n ASN 37 N -0.44 0.47 -4.41 -2.13 5.15 -1.26 -4.96 115.26 107.68 2jrs n ASN 37 Ca 0.00 -0.81 -0.35 0.00 -0.60 0.00 0.00 54.58 52.82 2jrs n ASN 37 Cb 0.39 0.18 -0.13 0.00 -0.53 0.00 0.00 39.78 39.70 2jrs n ASN 37 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2jrs s ILE 38 N -0.18 3.90 0.31 -1.44 -1.09 -1.26 -5.11 121.20 116.33 2jrs s ILE 38 Ca 0.00 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 2jrs s ILE 38 Cb 0.00 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.08 2jrs s ILE 38 CO 0.00 0.40 0.46 0.42 -1.23 0.00 0.00 174.94 175.00 2jrs s THR 39 N 1.27 4.77 0.40 2.92 -4.23 -1.26 -4.92 115.64 114.58 2jrs s THR 39 Ca 0.04 -0.83 0.10 0.00 -1.18 0.00 0.00 61.69 59.82 2jrs s THR 39 Cb -0.15 -3.70 0.32 0.00 1.34 0.00 0.00 72.50 70.31 2jrs s THR 39 CO 0.01 -0.33 1.95 -0.33 -0.54 0.00 0.00 174.62 175.38 2jrs h GLU 40 N 0.92 0.56 -0.66 3.99 3.07 -1.99 -1.36 114.58 119.11 2jrs h GLU 40 Ca -0.49 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.26 2jrs h GLU 40 Cb 1.24 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 2jrs h GLU 40 CO 0.58 0.37 0.12 0.22 -1.40 0.00 0.00 179.01 178.90 2jrs h ASP 41 N 0.58 1.04 -0.27 1.42 3.58 -1.98 0.10 116.42 120.87 2jrs h ASP 41 Ca 0.32 -0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 2jrs h ASP 41 Cb 0.49 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2jrs h ASP 41 CO -0.11 1.02 -0.18 0.24 -2.88 0.00 0.00 179.24 177.33 2jrs h MET 42 N 1.02 0.60 -0.79 0.28 2.86 -1.74 -1.08 114.93 116.08 2jrs h MET 42 Ca 0.20 -0.28 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2jrs h MET 42 Cb 0.42 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 2jrs h MET 42 CO 0.01 0.87 0.46 -0.07 1.06 0.00 0.00 176.91 179.24 2jrs h LEU 43 N 0.34 0.69 -0.01 1.22 3.38 -1.07 -1.49 115.31 118.36 2jrs h LEU 43 Ca 0.06 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jrs h LEU 43 Cb 0.71 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jrs h LEU 43 CO 0.05 0.43 0.01 -0.09 0.09 0.00 0.00 178.44 178.92 2jrs h ARG 44 N 0.82 0.02 -0.56 1.13 2.43 -0.66 -1.05 114.38 116.52 2jrs h ARG 44 Ca 0.36 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.61 2jrs h ARG 44 Cb 0.25 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2jrs h ARG 44 CO -0.20 0.04 0.37 0.78 -1.51 0.00 0.00 179.97 179.45 2jrs h GLY 45 N -0.01 0.55 1.14 2.80 0.00 -0.64 0.23 103.07 107.14 2jrs h GLY 45 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 47.33 46.85 2jrs h GLY 45 CO -0.00 0.11 -1.42 -2.22 0.00 0.00 0.00 176.54 173.01 2jrs h ILE 46 N 0.41 1.28 0.00 2.60 1.08 -1.06 -3.38 117.51 118.43 2jrs h ILE 46 Ca 0.25 -2.66 -0.16 0.00 -0.39 0.00 0.00 64.86 61.90 2jrs h ILE 46 Cb 0.46 3.04 -0.03 0.00 -3.07 0.00 0.00 36.82 37.22 2jrs h ILE 46 CO -0.07 0.80 -1.08 -0.26 -0.69 0.00 0.00 178.15 176.85 2jrs h PHE 47 N 0.07 0.00 -0.84 1.37 -1.00 -0.86 -3.37 116.94 112.31 2jrs h PHE 47 Ca -0.25 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.55 2jrs h PHE 47 Cb 2.09 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 41.61 2jrs h PHE 47 CO 0.14 0.64 0.56 0.93 -1.61 0.00 0.00 178.31 178.96 2jrs h GLU 48 N 0.00 1.05 -0.09 1.51 5.08 -0.71 -1.46 114.58 119.95 2jrs h GLU 48 Ca -0.10 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2jrs h GLU 48 Cb 1.58 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2jrs h GLU 48 CO 0.07 0.69 0.73 -1.35 -1.00 0.00 0.00 179.01 178.15 2jrs h PRO 49 N 1.08 0.00 0.00 2.33 0.11 -1.77 0.95 132.00 134.70 2jrs h PRO 49 Ca 0.33 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.11 2jrs h PRO 49 Cb -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 2jrs h PRO 49 CO -0.09 0.00 -2.10 1.19 -0.21 0.00 0.00 178.00 176.79 2jrs n PHE 50 N -2.77 0.39 -0.26 0.65 3.72 -0.55 -5.08 117.46 113.56 2jrs n PHE 50 Ca 0.01 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2jrs n PHE 50 Cb 0.78 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 2jrs n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jrs n GLY 51 N 1.65 3.04 0.10 1.37 0.00 0.33 -4.82 105.19 106.86 2jrs n GLY 51 Ca -0.26 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 2jrs n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jrs n ARG 52 N 0.00 0.63 -1.83 1.61 0.63 -1.26 -4.59 116.66 111.85 2jrs n ARG 52 Ca 0.00 0.11 -0.01 0.00 -0.92 0.00 0.00 57.85 57.03 2jrs n ARG 52 Cb 0.00 -1.43 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 2jrs n ARG 52 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2jrs n ILE 53 N -3.06 -8.35 0.11 5.15 5.41 -1.26 -4.89 119.36 112.47 2jrs n ILE 53 Ca -0.37 1.69 -0.24 0.00 1.00 0.00 0.00 62.75 64.84 2jrs n ILE 53 Cb 0.92 -4.83 -0.15 0.00 -0.71 0.00 0.00 39.64 34.87 2jrs n ILE 53 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2jrs h GLU 54 N 2.32 0.47 -2.77 0.38 4.39 -1.21 -3.47 114.58 114.67 2jrs h GLU 54 Ca -0.08 -0.80 -0.12 0.00 0.34 0.00 0.00 59.36 58.70 2jrs h GLU 54 Cb 0.18 0.30 -0.23 0.00 -0.10 0.00 0.00 28.75 28.90 2jrs h GLU 54 CO 0.00 1.38 -0.23 -1.54 -1.16 0.00 0.00 179.01 177.47 2jrs s SER 55 N -7.41 -0.39 -0.28 1.42 1.04 -1.19 -5.02 113.70 101.87 2jrs s SER 55 Ca -0.11 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.02 2jrs s SER 55 Cb 0.04 0.73 0.08 0.00 0.10 0.00 0.00 66.02 66.96 2jrs s SER 55 CO 0.91 -0.22 -0.02 -0.63 0.98 0.00 0.00 173.24 174.26 2jrs s ILE 56 N -0.12 1.80 -0.40 -1.02 1.01 -1.26 -0.74 121.20 120.48 2jrs s ILE 56 Ca -0.03 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 58.84 2jrs s ILE 56 Cb -0.03 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.32 2jrs s ILE 56 CO 0.02 -0.28 0.30 -1.58 0.00 0.00 0.00 174.94 173.39 2jrs s GLN 57 N 1.22 3.07 -0.14 2.79 2.00 0.09 -4.97 119.66 123.72 2jrs s GLN 57 Ca -0.00 -0.93 -0.11 0.00 -2.00 0.00 0.00 55.36 52.32 2jrs s GLN 57 Cb -0.19 -3.95 -0.05 0.00 0.80 0.00 0.00 33.01 29.63 2jrs s GLN 57 CO -0.09 -0.70 0.22 -1.17 -0.50 0.00 0.00 175.29 173.05 2jrs s LEU 58 N 1.72 4.30 -0.38 3.68 0.20 -1.26 0.01 118.68 126.95 2jrs s LEU 58 Ca 0.06 0.46 -0.20 0.00 0.69 0.00 0.00 54.13 55.14 2jrs s LEU 58 Cb -0.19 -2.23 0.01 0.00 -0.43 0.00 0.00 46.19 43.35 2jrs s LEU 58 CO 0.10 0.23 0.60 -0.04 -0.29 0.00 0.00 176.35 176.96 2jrs s MET 59 N -0.12 3.54 -0.00 1.98 -1.94 -0.66 -5.00 119.30 117.10 2jrs s MET 59 Ca 0.14 -0.13 0.01 0.00 -1.71 0.00 0.00 55.69 54.00 2jrs s MET 59 Cb -0.13 -3.85 0.00 0.00 2.01 0.00 0.00 34.83 32.87 2jrs s MET 59 CO 0.03 -0.79 -0.02 0.00 -0.01 0.00 0.00 175.02 174.23 2jrs s MET 60 N 2.65 0.17 -1.11 2.03 0.23 -1.26 -1.02 119.30 120.98 2jrs s MET 60 Ca 0.22 -0.06 -0.22 0.00 -1.03 0.00 0.00 55.69 54.60 2jrs s MET 60 Cb -0.15 -0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 32.94 2jrs s MET 60 CO 0.16 0.03 1.85 -0.51 -2.03 0.00 0.00 175.02 174.52 2jrs s ASP 61 N 0.05 5.51 0.38 -1.18 1.01 0.29 -4.79 116.67 117.94 2jrs s ASP 61 Ca -0.00 -1.50 0.21 0.00 0.71 0.00 0.00 52.55 51.96 2jrs s ASP 61 Cb -0.02 -2.58 1.13 0.00 1.01 0.00 0.00 42.92 42.47 2jrs s ASP 61 CO -0.00 -2.51 1.60 0.28 0.21 0.00 0.00 175.17 174.75 2jrs h SER 62 N 9.80 0.00 -0.44 0.27 0.02 -1.96 0.60 113.55 121.84 2jrs h SER 62 Ca 0.22 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 2jrs h SER 62 Cb 0.95 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 2jrs h SER 62 CO 1.28 0.00 0.02 -0.33 -1.14 0.00 0.00 176.83 176.66 2jrs h GLU 63 N 0.00 0.13 0.00 3.45 4.39 -1.98 -3.45 114.58 117.12 2jrs h GLU 63 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jrs h GLU 63 Cb 0.30 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2jrs h GLU 63 CO 0.00 0.09 0.00 -2.37 -1.16 0.00 0.00 179.01 175.57 2jrs n THR 64 N -5.19 0.00 0.20 1.13 5.66 0.03 -5.00 114.28 111.11 2jrs n THR 64 Ca 0.04 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.12 2jrs n THR 64 Cb 0.23 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.37 2jrs n THR 64 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jrs h GLY 65 N 0.00 0.00 0.00 1.09 0.00 -1.40 -3.49 103.07 99.27 2jrs h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jrs h GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2jrs n ARG 66 N -3.38 0.00 -1.58 4.80 1.74 -0.41 -4.69 116.66 113.13 2jrs n ARG 66 Ca 0.00 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.56 2jrs n ARG 66 Cb 0.50 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.87 2jrs n ARG 66 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jrs n SER 67 N -1.37 2.49 0.13 0.55 2.88 -1.26 -0.55 113.62 116.48 2jrs n SER 67 Ca 0.00 0.76 -0.02 0.00 -1.33 0.00 0.00 58.87 58.28 2jrs n SER 67 Cb 0.00 -1.24 0.19 0.00 -0.75 0.00 0.00 64.21 62.41 2jrs n SER 67 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jrs h LYS 68 N 9.92 0.07 0.00 -1.46 1.57 -1.37 -3.40 116.57 121.90 2jrs h LYS 68 Ca -0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2jrs h LYS 68 Cb 1.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2jrs h LYS 68 CO 0.99 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 180.90 2jrs n GLY 69 N 0.12 1.06 3.01 3.86 0.00 -1.23 -4.97 105.19 107.05 2jrs n GLY 69 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2jrs n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jrs s TYR 70 N -1.52 0.30 0.12 1.61 -0.85 -1.26 -0.95 117.35 114.80 2jrs s TYR 70 Ca 0.00 -0.63 -0.13 0.00 -0.52 0.00 0.00 57.07 55.79 2jrs s TYR 70 Cb 0.00 -0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.13 2jrs s TYR 70 CO 0.00 -0.24 0.32 0.20 -1.52 0.00 0.00 175.55 174.32 2jrs s GLY 71 N -1.77 -0.11 -0.21 5.49 0.00 0.16 -1.66 107.32 109.23 2jrs s GLY 71 Ca -0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 2jrs s GLY 71 CO -0.03 -0.51 -0.03 -1.36 0.00 0.00 0.00 173.10 171.17 2jrs s PHE 72 N -3.83 2.98 -0.23 1.90 0.40 0.10 -0.80 117.98 118.49 2jrs s PHE 72 Ca 0.04 -0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 55.57 2jrs s PHE 72 Cb 0.03 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 2jrs s PHE 72 CO -0.11 -0.43 -0.01 0.42 0.70 0.00 0.00 175.22 175.79 2jrs s ILE 73 N 1.31 3.67 -0.23 0.64 1.01 0.18 -0.73 121.20 127.03 2jrs s ILE 73 Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 2jrs s ILE 73 Cb -0.14 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 2jrs s ILE 73 CO -0.01 0.39 0.15 -0.89 0.00 0.00 0.00 174.94 174.59 2jrs s THR 74 N 1.52 5.33 -0.01 2.92 2.01 0.08 -0.27 115.64 127.24 2jrs s THR 74 Ca 0.06 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2jrs s THR 74 Cb -0.15 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2jrs s THR 74 CO -0.01 0.36 0.04 -0.36 -0.69 0.00 0.00 174.62 173.95 2jrs s PHE 75 N 0.98 3.17 0.29 4.92 0.40 0.06 -0.60 117.98 127.20 2jrs s PHE 75 Ca 0.07 0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.61 2jrs s PHE 75 Cb -0.13 -1.70 0.43 0.00 0.51 0.00 0.00 43.02 42.12 2jrs s PHE 75 CO 0.04 0.50 1.69 1.03 0.70 0.00 0.00 175.22 179.18 2jrs h SER 76 N 4.26 0.27 -3.34 1.36 0.87 -1.96 -0.48 113.55 114.54 2jrs h SER 76 Ca -0.49 -0.12 -0.65 0.00 -1.23 0.00 0.00 61.79 59.31 2jrs h SER 76 Cb 1.18 -0.08 -0.20 0.00 -0.44 0.00 0.00 62.40 62.87 2jrs h SER 76 CO 0.59 0.67 -0.65 -0.62 -0.53 0.00 0.00 176.83 176.29 2jrs s ASP 77 N -6.88 4.94 0.20 6.23 2.15 -1.26 -4.28 116.67 117.77 2jrs s ASP 77 Ca -0.05 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 52.87 2jrs s ASP 77 Cb 0.13 -1.69 0.15 0.00 -0.30 0.00 0.00 42.92 41.21 2jrs s ASP 77 CO 0.78 0.22 1.52 -1.28 -0.17 0.00 0.00 175.17 176.24 2jrs h SER 78 N 6.31 0.54 -0.28 -0.34 0.87 -1.84 -2.78 113.55 116.03 2jrs h SER 78 Ca -0.36 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 59.85 2jrs h SER 78 Cb 1.19 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2jrs h SER 78 CO 0.61 0.98 -0.06 -0.33 -0.53 0.00 0.00 176.83 177.50 2jrs h GLU 79 N 0.37 0.54 -0.62 2.24 5.08 -1.99 -0.09 114.58 120.12 2jrs h GLU 79 Ca 0.01 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2jrs h GLU 79 Cb 1.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2jrs h GLU 79 CO 0.10 0.74 0.38 0.00 -1.00 0.00 0.00 179.01 179.23 2jrs h ALA 81 N 1.58 0.43 -0.26 0.00 0.00 -1.18 -1.80 119.26 118.04 2jrs h ALA 81 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jrs h ALA 81 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jrs h ALA 81 CO -0.04 0.21 0.16 0.87 0.00 0.00 0.00 179.25 180.45 2jrs h LYS 82 N 0.37 0.36 -0.72 0.00 1.57 -0.58 0.82 116.57 118.38 2jrs h LYS 82 Ca 0.09 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2jrs h LYS 82 Cb 0.47 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 2jrs h LYS 82 CO 0.02 0.27 0.45 -0.22 -0.57 0.00 0.00 179.45 179.40 2jrs h LYS 83 N 0.34 0.84 0.27 3.15 3.64 -1.06 0.80 116.57 124.55 2jrs h LYS 83 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jrs h LYS 83 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2jrs h LYS 83 CO -0.02 0.56 -0.13 0.00 -2.27 0.00 0.00 179.45 177.59 2jrs h ALA 84 N 1.32 -0.36 -0.09 5.00 0.00 -1.11 -2.34 119.26 121.68 2jrs h ALA 84 Ca 0.30 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2jrs h ALA 84 Cb 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2jrs h ALA 84 CO -0.12 -0.61 -0.24 1.25 0.00 0.00 0.00 179.25 179.53 2jrs h LEU 85 N -0.54 -0.72 -1.00 0.00 6.46 -0.55 0.53 115.31 119.50 2jrs h LEU 85 Ca -0.04 0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.75 2jrs h LEU 85 Cb 0.40 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2jrs h LEU 85 CO 0.06 -0.29 -0.19 -0.08 -0.62 0.00 0.00 178.44 177.31 2jrs h GLU 86 N -0.32 0.50 0.00 1.25 4.81 -0.90 -0.89 114.58 119.02 2jrs h GLU 86 Ca 0.09 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 2jrs h GLU 86 Cb 0.45 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2jrs h GLU 86 CO -0.27 0.67 -1.17 1.96 -0.73 0.00 0.00 179.01 179.47 2jrs h GLN 87 N 0.45 0.00 0.00 1.92 7.50 -1.19 -3.34 115.11 120.45 2jrs h GLN 87 Ca 0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 2jrs h GLN 87 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 2jrs h GLN 87 CO 0.04 0.28 -1.06 1.28 -1.50 0.00 0.00 178.83 177.87 2jrs n LEU 88 N -2.92 0.63 -4.54 1.46 4.77 0.16 -4.67 117.00 111.88 2jrs n LEU 88 Ca -0.06 -0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.43 2jrs n LEU 88 Cb 0.78 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 2jrs n LEU 88 CO 0.42 0.09 2.02 0.59 -1.33 0.00 0.00 177.39 179.18 2jrs n ASN 89 N -1.86 2.13 -0.01 -1.43 3.02 -0.35 -1.00 115.26 115.75 2jrs n ASN 89 Ca 0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2jrs n ASN 89 Cb 0.42 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 2jrs n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrs n GLY 90 N 6.09 1.23 3.45 7.41 0.00 -0.11 -4.95 105.19 118.32 2jrs n GLY 90 Ca 0.41 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2jrs n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jrs s PHE 91 N -2.03 2.96 -1.04 1.61 5.36 -0.17 -4.67 117.98 120.00 2jrs s PHE 91 Ca 0.00 -0.53 -0.23 0.00 -0.96 0.00 0.00 56.93 55.20 2jrs s PHE 91 Cb 0.00 -3.79 -0.05 0.00 -0.34 0.00 0.00 43.02 38.84 2jrs s PHE 91 CO 0.00 -1.19 1.90 -1.21 -1.46 0.00 0.00 175.22 173.25 2jrs s GLU 92 N 2.99 2.68 -0.01 10.12 8.01 -1.26 -3.43 118.70 137.80 2jrs s GLU 92 Ca 0.18 -0.79 -0.02 0.00 0.01 0.00 0.00 54.97 54.35 2jrs s GLU 92 Cb -0.19 -5.18 -0.01 0.00 -4.31 0.00 0.00 34.13 24.44 2jrs s GLU 92 CO 0.12 -3.48 0.30 1.25 0.01 0.00 0.00 175.26 173.45 2jrs h LEU 93 N 17.20 -0.05 -3.21 1.80 5.85 -1.92 -3.34 115.31 131.63 2jrs h LEU 93 Ca 0.17 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.68 2jrs h LEU 93 Cb 0.97 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 2jrs h LEU 93 CO 1.24 0.02 0.28 0.00 -0.34 0.00 0.00 178.44 179.64 2jrs n ALA 94 N -2.13 4.54 -1.63 1.25 0.00 -1.26 -4.71 120.51 116.57 2jrs n ALA 94 Ca -0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 53.44 52.16 2jrs n ALA 94 Cb 0.03 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 2jrs n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jrs n GLY 95 N 0.57 1.30 2.90 0.00 0.00 -1.26 -4.99 105.19 103.72 2jrs n GLY 95 Ca 0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2jrs n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jrs s ARG 96 N -3.66 0.12 0.37 1.61 0.52 -1.26 -5.04 118.95 111.61 2jrs s ARG 96 Ca 0.00 -0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 54.81 2jrs s ARG 96 Cb 0.00 -0.05 -0.12 0.00 0.52 0.00 0.00 34.95 35.30 2jrs s ARG 96 CO 0.00 0.01 1.08 -0.35 0.02 0.00 0.00 175.30 176.07 2jrs n PRO 97 N 2.80 1.55 -3.58 3.54 -0.04 -1.26 -3.37 135.00 134.64 2jrs n PRO 97 Ca -0.14 0.55 -0.37 0.00 -0.04 0.00 0.00 63.50 63.49 2jrs n PRO 97 Cb 0.59 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 2jrs n PRO 97 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2jrs s MET 98 N -1.89 4.04 -0.51 0.54 1.75 -1.22 -4.79 119.30 117.21 2jrs s MET 98 Ca 0.60 -0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.69 2jrs s MET 98 Cb -0.59 -3.59 0.11 0.00 2.84 0.00 0.00 34.83 33.60 2jrs s MET 98 CO 0.59 -0.06 0.46 0.15 -0.65 0.00 0.00 175.02 175.51 2jrs s LYS 99 N 1.40 2.99 -0.28 4.11 1.02 -1.18 -0.93 119.74 126.86 2jrs s LYS 99 Ca 0.09 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.55 2jrs s LYS 99 Cb -0.15 -4.23 0.07 0.00 -0.52 0.00 0.00 37.83 33.00 2jrs s LYS 99 CO 0.07 -1.20 -0.05 0.08 -0.92 0.00 0.00 175.35 173.33 2jrs s VAL 100 N 1.63 2.39 0.12 3.17 1.01 -1.26 -0.58 120.40 126.89 2jrs s VAL 100 Ca 0.04 -1.70 0.06 0.00 0.00 0.00 0.00 61.98 60.38 2jrs s VAL 100 Cb -0.27 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2jrs s VAL 100 CO 0.05 -0.15 -0.15 -0.83 0.00 0.00 0.00 175.10 174.02 2jrs s GLY 101 N 1.13 1.09 0.47 4.51 0.00 0.08 -4.81 107.32 109.79 2jrs s GLY 101 Ca -0.05 -1.28 -0.22 0.00 0.00 0.00 0.00 44.72 43.17 2jrs s GLY 101 CO -0.05 -1.34 1.14 -2.38 0.00 0.00 0.00 173.10 170.48 2jrs s HIS 102 N -2.04 2.87 0.32 1.90 -3.43 -1.26 0.04 115.29 113.70 2jrs s HIS 102 Ca 0.08 1.55 -0.29 0.00 -0.80 0.00 0.00 55.06 55.60 2jrs s HIS 102 Cb -0.05 -3.32 -0.11 0.00 -1.43 0.00 0.00 32.58 27.67 2jrs s HIS 102 CO 0.03 -1.41 1.48 0.14 -2.00 0.00 0.00 174.74 172.99 2jrs s VAL 103 N -1.63 2.27 0.22 -5.38 -7.23 -1.18 -4.75 120.40 102.73 2jrs s VAL 103 Ca 0.65 0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 60.77 2jrs s VAL 103 Cb -0.26 -3.16 -0.09 0.00 0.56 0.00 0.00 36.38 33.43 2jrs s VAL 103 CO 0.32 0.05 0.98 0.42 -0.31 0.00 0.00 175.10 176.56 2jrs s THR 104 N -0.59 4.02 0.00 5.32 -4.23 -1.26 -4.90 115.64 114.01 2jrs s THR 104 Ca 0.56 1.96 0.00 0.00 -1.18 0.00 0.00 61.69 63.03 2jrs s THR 104 Cb -0.45 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.14 2jrs s THR 104 CO 0.53 0.43 0.00 1.21 -0.54 0.00 0.00 174.62 176.26 2jrs n GLU 105 N 1.70 0.00 0.00 3.99 0.00 -1.26 -5.01 120.64 120.06 2jrs n GLU 105 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2jrs n GLU 105 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.91 2jrs n GLU 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2jrs n ARG 106 N 0.00 0.08 0.16 5.31 0.63 -1.26 -4.79 116.66 116.79 2jrs n ARG 106 Ca 0.00 -0.45 0.12 0.00 -0.92 0.00 0.00 57.85 56.59 2jrs n ARG 106 Cb 0.00 -0.52 0.08 0.00 0.45 0.00 0.00 32.46 32.48 2jrs n ARG 106 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2jrs h THR 107 N 2.60 0.02 0.00 5.15 1.35 -1.95 -3.57 112.91 116.51 2jrs h THR 107 Ca 0.00 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2jrs h THR 107 Cb 0.91 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2jrs h THR 107 CO 0.00 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 175.75