#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 1.00 2.67 3.03 0.00 -1.26 -5.00 105.19 105.63 2jrs n GLY 2 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 2jrs n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jrs n HIS 3 N 0.00 -3.76 -2.22 1.61 -0.00 -1.26 -4.91 115.22 104.68 2jrs n HIS 3 Ca 0.00 1.65 -0.42 0.00 -0.00 0.00 0.00 57.72 58.95 2jrs n HIS 3 Cb 0.00 -3.91 -0.03 0.00 -0.00 0.00 0.00 29.99 26.05 2jrs n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jrs s HIS 4 N -1.66 2.91 -0.31 1.57 0.00 -1.26 -5.01 115.29 111.52 2jrs s HIS 4 Ca 0.03 0.85 -0.03 0.00 -3.00 0.00 0.00 55.06 52.91 2jrs s HIS 4 Cb -0.01 -3.66 0.05 0.00 -4.00 0.00 0.00 32.58 24.97 2jrs s HIS 4 CO 0.74 -2.41 0.03 -1.58 -1.00 0.00 0.00 174.74 170.53 2jrs s HIS 5 N 2.22 3.29 -0.30 0.38 2.46 -1.26 -5.06 115.29 117.02 2jrs s HIS 5 Ca 0.64 -1.85 -0.02 0.00 0.47 0.00 0.00 55.06 54.30 2jrs s HIS 5 Cb -0.32 -2.21 0.19 0.00 -0.13 0.00 0.00 32.58 30.11 2jrs s HIS 5 CO 0.27 -0.80 0.62 -1.58 -2.47 0.00 0.00 174.74 170.78 2jrs s HIS 6 N 1.27 -1.55 0.00 3.88 5.65 -1.26 -5.01 115.29 118.27 2jrs s HIS 6 Ca -0.04 1.67 0.00 0.00 0.25 0.00 0.00 55.06 56.95 2jrs s HIS 6 Cb -0.20 0.56 0.00 0.00 -1.18 0.00 0.00 32.58 31.76 2jrs s HIS 6 CO -0.01 -0.85 0.81 1.58 -0.65 0.00 0.00 174.74 175.63 2jrs n HIS 7 N 5.43 0.00 0.34 3.88 -0.00 -1.26 -4.64 115.22 118.97 2jrs n HIS 7 Ca -0.02 -0.32 0.23 0.00 -0.00 0.00 0.00 57.72 57.61 2jrs n HIS 7 Cb 0.51 -0.03 1.21 0.00 -0.00 0.00 0.00 29.99 31.68 2jrs n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jrs h HIS 8 N 0.00 0.00 -1.75 1.57 2.76 -1.95 -3.38 115.15 112.39 2jrs h HIS 8 Ca 0.00 0.00 -0.46 0.00 -2.20 0.00 0.00 60.37 57.71 2jrs h HIS 8 Cb 0.36 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 2jrs h HIS 8 CO 0.00 0.00 1.28 -1.12 -1.30 0.00 0.00 177.93 176.79 2jrs s SER 9 N -5.16 5.16 -0.69 3.26 0.01 -1.26 -4.90 113.70 110.12 2jrs s SER 9 Ca -0.05 0.26 -0.25 0.00 1.31 0.00 0.00 55.95 57.22 2jrs s SER 9 Cb 0.13 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.70 2jrs s SER 9 CO 0.41 -2.49 2.43 1.41 0.41 0.00 0.00 173.24 175.41 2jrs n HIS 10 N 13.28 1.13 -0.76 2.43 -0.00 -1.26 -4.53 115.22 125.51 2jrs n HIS 10 Ca 0.25 0.10 0.10 0.00 -0.00 0.00 0.00 57.72 58.17 2jrs n HIS 10 Cb 0.51 -2.44 -0.03 0.00 -0.00 0.00 0.00 29.99 28.04 2jrs n HIS 10 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2jrs n MET 11 N 8.61 -1.54 0.00 -0.41 0.00 -1.26 -4.87 117.12 117.66 2jrs n MET 11 Ca 0.46 1.02 0.00 0.00 0.00 0.00 0.00 57.70 59.18 2jrs n MET 11 Cb 0.42 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.76 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 -1.71 0.00 -0.18 3.04 0.00 -1.26 -4.54 120.51 115.85 2jrs n ALA 12 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2jrs n ALA 12 Cb 0.35 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.15 2jrs n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrs h ALA 13 N 0.00 1.70 0.46 0.00 0.00 -1.89 -3.13 119.26 116.40 2jrs h ALA 13 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jrs h ALA 13 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jrs h ALA 13 CO 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 179.25 179.22 2jrs h ALA 14 N 1.61 -0.70 -1.62 0.00 0.00 -1.89 -3.38 119.26 113.29 2jrs h ALA 14 Ca 0.31 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.39 2jrs h ALA 14 Cb 0.25 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.12 2jrs h ALA 14 CO -0.10 -0.65 1.25 1.41 0.00 0.00 0.00 179.25 181.16 2jrs s MET 15 N -3.63 3.81 -0.01 0.00 0.00 -1.18 -4.61 119.30 113.68 2jrs s MET 15 Ca -0.09 -1.99 0.01 0.00 0.00 0.00 0.00 55.69 53.62 2jrs s MET 15 Cb 0.01 -5.09 -0.01 0.00 0.00 0.00 0.00 34.83 29.74 2jrs s MET 15 CO 0.27 -1.88 0.00 0.00 0.00 0.00 0.00 175.02 173.41 2jrs n ALA 16 N 6.75 1.99 -2.66 4.11 0.00 -1.24 -4.75 120.51 124.70 2jrs n ALA 16 Ca 0.32 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 2jrs n ALA 16 Cb 0.47 0.23 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 2jrs n ALA 16 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jrs s ASN 17 N -3.05 7.24 0.55 0.00 3.84 -1.26 -4.94 114.94 117.32 2jrs s ASN 17 Ca -0.00 1.58 0.26 0.00 0.21 0.00 0.00 52.86 54.91 2jrs s ASN 17 Cb 0.00 -2.56 1.58 0.00 -0.55 0.00 0.00 41.25 39.73 2jrs s ASN 17 CO 0.03 -0.44 2.17 -0.55 -2.79 0.00 0.00 177.10 175.51 2jrs h ASN 18 N 7.09 0.00 0.37 -4.21 -1.07 -2.01 -1.93 115.58 113.82 2jrs h ASN 18 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.04 2jrs h ASN 18 Cb 1.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 2jrs h ASN 18 CO 0.84 0.06 -1.44 0.18 0.07 0.00 0.00 177.43 177.13 2jrs n LEU 19 N -3.89 0.43 -2.77 6.14 4.77 -1.26 -5.06 117.00 115.36 2jrs n LEU 19 Ca -0.03 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2jrs n LEU 19 Cb 0.15 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2jrs n LEU 19 CO 0.30 -0.02 -0.50 1.67 -1.33 0.00 0.00 177.39 177.50 2jrs n GLN 20 N -2.25 -3.19 -0.06 3.23 -0.06 -0.73 -4.89 117.38 109.43 2jrs n GLN 20 Ca -0.01 2.60 0.02 0.00 -2.00 0.00 0.00 57.00 57.61 2jrs n GLN 20 Cb 0.52 -4.90 0.34 0.00 -4.06 0.00 0.00 30.24 22.14 2jrs n GLN 20 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2jrs h LYS 21 N 3.16 0.67 0.00 3.69 1.57 -1.97 -3.46 116.57 120.23 2jrs h LYS 21 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2jrs h LYS 21 Cb 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jrs h LYS 21 CO 0.09 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.88 2jrs n GLY 22 N -1.30 4.53 7.00 3.86 0.00 -1.26 -5.14 105.19 112.88 2jrs n GLY 22 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.06 -2.80 0.00 1.61 2.88 -1.26 -4.91 113.62 109.08 2jrs n SER 23 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jrs n SER 23 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.67 0.00 -1.16 -1.46 0.00 -1.26 -4.88 120.51 112.43 2jrs n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jrs n ALA 24 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2jrs n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jrs n GLY 25 N -1.94 1.64 3.84 0.00 0.00 -1.26 -4.52 105.19 102.95 2jrs n GLY 25 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jrs n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jrs s PRO 26 N 0.17 2.69 -0.11 1.61 0.04 -1.19 -0.74 135.00 137.46 2jrs s PRO 26 Ca 0.00 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.57 2jrs s PRO 26 Cb 0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2jrs s PRO 26 CO 0.00 -1.20 0.30 1.41 0.04 0.00 0.00 177.00 177.56 2jrs s MET 27 N -5.21 0.38 -0.14 4.56 1.75 -0.63 -4.65 119.30 115.35 2jrs s MET 27 Ca 0.59 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 2jrs s MET 27 Cb -0.13 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.72 2jrs s MET 27 CO 0.53 -0.05 -0.14 0.50 -0.65 0.00 0.00 175.02 175.21 2jrs s ARG 28 N 0.03 3.30 0.07 4.11 3.52 -1.26 -0.46 118.95 128.27 2jrs s ARG 28 Ca -0.01 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.89 2jrs s ARG 28 Cb -0.02 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 2jrs s ARG 28 CO 0.01 0.14 0.13 -0.51 -0.81 0.00 0.00 175.30 174.25 2jrs s LEU 29 N 0.52 4.00 -0.39 -0.88 1.43 0.36 -4.44 118.68 119.28 2jrs s LEU 29 Ca -0.10 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 2jrs s LEU 29 Cb -0.16 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.47 2jrs s LEU 29 CO 0.04 0.17 0.21 -0.47 0.23 0.00 0.00 176.35 176.53 2jrs s TYR 30 N -1.43 3.31 -0.21 0.29 5.04 0.47 -0.78 117.35 124.03 2jrs s TYR 30 Ca 0.31 -1.44 -0.07 0.00 -2.44 0.00 0.00 57.07 53.43 2jrs s TYR 30 Cb -0.12 -2.71 -0.03 0.00 0.35 0.00 0.00 41.96 39.44 2jrs s TYR 30 CO 0.24 -0.79 0.05 0.08 -1.34 0.00 0.00 175.55 173.79 2jrs s VAL 31 N 1.43 4.42 -0.36 3.14 1.01 0.14 -1.13 120.40 129.05 2jrs s VAL 31 Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2jrs s VAL 31 Cb -0.21 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.26 2jrs s VAL 31 CO 0.03 0.41 0.13 -0.83 0.00 0.00 0.00 175.10 174.83 2jrs s GLY 32 N 0.97 1.52 0.00 4.51 0.00 0.10 -0.34 107.32 114.08 2jrs s GLY 32 Ca 0.03 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.54 2jrs s GLY 32 CO 0.03 1.39 0.05 -1.14 0.00 0.00 0.00 173.10 173.42 2jrs n SER 33 N 4.27 0.00 -4.54 1.64 3.41 -0.24 -2.91 113.62 115.25 2jrs n SER 33 Ca 0.02 -0.80 -0.43 0.00 -0.26 0.00 0.00 58.87 57.40 2jrs n SER 33 Cb 0.40 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2jrs n SER 33 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jrs s LEU 34 N 0.00 4.19 -1.43 1.04 1.43 -0.03 -4.90 118.68 118.98 2jrs s LEU 34 Ca 0.00 -2.49 -0.14 0.00 -1.03 0.00 0.00 54.13 50.47 2jrs s LEU 34 Cb 0.00 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.75 2jrs s LEU 34 CO 0.00 -1.08 2.15 0.00 0.23 0.00 0.00 176.35 177.65 2jrs n HIS 35 N 7.61 3.67 -0.97 0.29 1.44 -1.26 -3.51 115.22 122.50 2jrs n HIS 35 Ca 0.43 -2.96 0.00 0.00 -2.01 0.00 0.00 57.72 53.18 2jrs n HIS 35 Cb 0.46 -2.55 0.00 0.00 0.12 0.00 0.00 29.99 28.02 2jrs n HIS 35 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2jrs n PHE 36 N 6.32 0.00 -0.28 -1.40 3.72 -1.26 -4.59 117.46 119.96 2jrs n PHE 36 Ca 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 2jrs n PHE 36 Cb 0.40 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.11 2jrs n PHE 36 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jrs n ASN 37 N -0.87 0.00 -4.56 4.37 5.15 -1.26 -4.86 115.26 113.24 2jrs n ASN 37 Ca 0.00 -0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 53.44 2jrs n ASN 37 Cb 0.43 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.62 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 0.00 4.85 0.51 -1.44 1.09 -1.26 -5.05 121.20 119.89 2jrs s ILE 38 Ca 0.00 0.50 0.04 0.00 -1.10 0.00 0.00 60.65 60.09 2jrs s ILE 38 Cb 0.00 -4.13 0.03 0.00 -1.06 0.00 0.00 42.46 37.30 2jrs s ILE 38 CO 0.00 -0.41 0.70 0.42 -0.10 0.00 0.00 174.94 175.55 2jrs s THR 39 N 2.81 2.76 0.23 2.92 -4.23 -1.26 -4.90 115.64 113.97 2jrs s THR 39 Ca 0.25 -0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 2jrs s THR 39 Cb -0.14 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.93 2jrs s THR 39 CO 0.16 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.67 2jrs h GLU 40 N 0.27 0.51 -0.71 3.99 5.08 -1.98 -2.44 114.58 119.31 2jrs h GLU 40 Ca -0.41 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2jrs h GLU 40 Cb 1.29 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2jrs h GLU 40 CO 0.49 0.34 0.20 -0.44 -1.00 0.00 0.00 179.01 178.60 2jrs h ASP 41 N 0.53 1.05 0.27 1.42 5.19 -1.98 -0.18 116.42 122.72 2jrs h ASP 41 Ca 0.38 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 2jrs h ASP 41 Cb 0.49 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2jrs h ASP 41 CO -0.33 0.98 -0.13 0.24 -3.12 0.00 0.00 179.24 176.88 2jrs h MET 42 N 1.06 -0.35 0.12 3.56 2.86 -1.84 0.56 114.93 120.90 2jrs h MET 42 Ca 0.23 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2jrs h MET 42 Cb 0.33 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2jrs h MET 42 CO -0.00 -0.15 -0.30 -0.07 1.06 0.00 0.00 176.91 177.44 2jrs h LEU 43 N -0.49 -0.86 -0.69 1.22 3.38 -1.38 -2.41 115.31 114.08 2jrs h LEU 43 Ca -0.04 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2jrs h LEU 43 Cb 0.37 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2jrs h LEU 43 CO 0.06 -0.39 0.35 -0.09 0.09 0.00 0.00 178.44 178.46 2jrs h ARG 44 N -0.52 0.59 0.00 1.13 2.43 -0.98 -0.57 114.38 116.47 2jrs h ARG 44 Ca 0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2jrs h ARG 44 Cb 0.55 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2jrs h ARG 44 CO -0.18 0.39 -0.01 0.78 -1.51 0.00 0.00 179.97 179.45 2jrs h GLY 45 N 0.61 0.00 1.38 2.80 0.00 -0.59 0.11 103.07 107.39 2jrs h GLY 45 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.38 2jrs h GLY 45 CO -0.25 0.00 -1.43 -2.22 0.00 0.00 0.00 176.54 172.64 2jrs h ILE 46 N 0.00 1.26 0.04 2.60 2.04 -0.71 -3.39 117.51 119.35 2jrs h ILE 46 Ca -0.00 -2.91 -0.27 0.00 1.00 0.00 0.00 64.86 62.67 2jrs h ILE 46 Cb 0.01 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2jrs h ILE 46 CO 0.00 0.82 -1.45 -0.26 0.00 0.00 0.00 178.15 177.27 2jrs h PHE 47 N 0.06 0.16 -0.48 1.37 -1.00 -0.59 -3.37 116.94 113.09 2jrs h PHE 47 Ca -0.20 -0.12 -0.03 0.00 2.81 0.00 0.00 57.97 60.44 2jrs h PHE 47 Cb 1.98 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.51 2jrs h PHE 47 CO 0.05 1.15 0.19 0.93 -1.61 0.00 0.00 178.31 179.02 2jrs h GLU 48 N 0.02 0.69 -0.97 1.51 5.08 -0.99 -1.32 114.58 118.60 2jrs h GLU 48 Ca -0.19 -0.10 0.28 0.00 -1.00 0.00 0.00 59.36 58.35 2jrs h GLU 48 Cb 1.94 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.03 2jrs h GLU 48 CO 0.12 0.57 0.94 -1.35 -1.00 0.00 0.00 179.01 178.29 2jrs h PRO 49 N 0.68 0.00 0.06 2.33 0.11 -1.77 0.66 132.00 134.07 2jrs h PRO 49 Ca 0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 2jrs h PRO 49 Cb 0.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2jrs h PRO 49 CO -0.02 0.00 -0.36 0.74 -0.21 0.00 0.00 178.00 178.16 2jrs h PHE 50 N 0.00 0.22 0.00 0.65 -1.00 -1.49 -3.50 116.94 111.83 2jrs h PHE 50 Ca 0.46 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 61.08 2jrs h PHE 50 Cb 2.33 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.88 2jrs h PHE 50 CO 0.00 1.14 0.00 0.41 -1.61 0.00 0.00 178.31 178.25 2jrs n GLY 51 N 1.63 -0.10 3.58 -1.45 0.00 0.22 -4.99 105.19 104.08 2jrs n GLY 51 Ca -0.12 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 2jrs n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jrs s ARG 52 N 1.15 0.75 -0.15 1.61 3.52 -1.26 -4.69 118.95 119.88 2jrs s ARG 52 Ca 0.00 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 55.98 2jrs s ARG 52 Cb 0.00 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 2jrs s ARG 52 CO 0.00 -0.18 -0.03 0.42 -0.81 0.00 0.00 175.30 174.69 2jrs s ILE 53 N -0.59 3.94 -0.13 4.11 1.09 -1.26 -4.15 121.20 124.21 2jrs s ILE 53 Ca -0.03 -0.34 -0.28 0.00 -1.10 0.00 0.00 60.65 58.89 2jrs s ILE 53 Cb -0.02 -2.72 -0.26 0.00 -1.06 0.00 0.00 42.46 38.39 2jrs s ILE 53 CO 0.02 0.50 0.80 -0.33 -0.10 0.00 0.00 174.94 175.83 2jrs h GLU 54 N 6.60 0.03 -2.85 2.79 4.39 -1.56 -3.48 114.58 120.50 2jrs h GLU 54 Ca -0.32 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 2jrs h GLU 54 Cb 1.19 0.02 -0.22 0.00 -0.10 0.00 0.00 28.75 29.64 2jrs h GLU 54 CO 0.63 1.01 -0.24 -1.54 -1.16 0.00 0.00 179.01 177.70 2jrs s SER 55 N -6.29 -0.34 -0.24 1.42 1.04 -1.22 -5.05 113.70 103.02 2jrs s SER 55 Ca -0.18 0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.76 2jrs s SER 55 Cb -0.02 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2jrs s SER 55 CO 0.71 -0.27 -0.07 -0.63 0.98 0.00 0.00 173.24 173.95 2jrs s ILE 56 N -0.43 2.79 -0.38 -1.02 1.01 -1.26 -1.43 121.20 120.48 2jrs s ILE 56 Ca -0.06 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.50 2jrs s ILE 56 Cb -0.03 -2.41 0.07 0.00 0.01 0.00 0.00 42.46 40.10 2jrs s ILE 56 CO 0.02 0.22 0.17 -1.10 0.00 0.00 0.00 174.94 174.25 2jrs s GLN 57 N 1.32 2.43 0.04 2.79 -1.52 0.25 -5.01 119.66 119.95 2jrs s GLN 57 Ca 0.00 -1.45 -0.04 0.00 -1.95 0.00 0.00 55.36 51.92 2jrs s GLN 57 Cb -0.16 -3.56 -0.05 0.00 -0.22 0.00 0.00 33.01 29.02 2jrs s GLN 57 CO -0.05 -0.86 0.26 -0.51 -0.25 0.00 0.00 175.29 173.88 2jrs s LEU 58 N 1.32 4.35 -0.43 2.90 1.43 -1.26 0.56 118.68 127.56 2jrs s LEU 58 Ca 0.02 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.40 2jrs s LEU 58 Cb -0.22 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2jrs s LEU 58 CO 0.00 0.20 0.56 -0.04 0.23 0.00 0.00 176.35 177.30 2jrs s MET 59 N -2.08 3.21 0.02 1.70 -1.94 -0.29 -4.95 119.30 114.97 2jrs s MET 59 Ca 0.31 -0.53 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 2jrs s MET 59 Cb -0.13 -3.96 -0.02 0.00 2.01 0.00 0.00 34.83 32.74 2jrs s MET 59 CO 0.20 -0.94 -0.16 0.00 -0.01 0.00 0.00 175.02 174.11 2jrs s MET 60 N 2.53 1.12 -0.91 2.03 0.23 -1.26 -1.21 119.30 121.82 2jrs s MET 60 Ca 0.18 -0.71 -0.25 0.00 -1.03 0.00 0.00 55.69 53.88 2jrs s MET 60 Cb -0.15 -1.13 -0.09 0.00 -1.53 0.00 0.00 34.83 31.93 2jrs s MET 60 CO 0.17 0.29 2.08 -0.51 -2.03 0.00 0.00 175.02 175.02 2jrs s ASP 61 N -0.86 4.68 0.25 -1.18 1.01 0.38 -4.75 116.67 116.21 2jrs s ASP 61 Ca 0.04 -0.60 0.16 0.00 0.71 0.00 0.00 52.55 52.86 2jrs s ASP 61 Cb -0.07 -2.56 0.87 0.00 1.01 0.00 0.00 42.92 42.17 2jrs s ASP 61 CO 0.01 -3.21 1.48 -0.24 0.21 0.00 0.00 175.17 173.42 2jrs n SER 62 N 15.65 0.42 -0.32 0.27 2.88 -1.26 0.64 113.62 131.90 2jrs n SER 62 Ca 0.43 0.69 -0.04 0.00 -1.33 0.00 0.00 58.87 58.61 2jrs n SER 62 Cb 0.46 -0.73 0.08 0.00 -0.75 0.00 0.00 64.21 63.27 2jrs n SER 62 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2jrs h GLU 63 N 0.00 1.16 0.00 -1.46 4.57 -1.95 -3.36 114.58 113.54 2jrs h GLU 63 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2jrs h GLU 63 Cb 0.04 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 2jrs h GLU 63 CO 0.00 0.81 0.00 -2.37 -1.18 0.00 0.00 179.01 176.27 2jrs n THR 64 N -4.43 0.00 -1.58 0.32 5.66 -0.76 -5.06 114.28 108.44 2jrs n THR 64 Ca 0.09 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2jrs n THR 64 Cb 0.05 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 2jrs n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jrs n GLY 65 N 0.27 0.59 3.17 1.09 0.00 0.21 -5.09 105.19 105.43 2jrs n GLY 65 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2jrs n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jrs s ARG 66 N -3.14 0.87 -0.09 1.61 0.52 -1.06 -4.97 118.95 112.70 2jrs s ARG 66 Ca 0.00 -1.38 -0.25 0.00 -0.52 0.00 0.00 55.73 53.58 2jrs s ARG 66 Cb 0.00 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 2jrs s ARG 66 CO 0.00 -0.10 0.77 -1.12 0.02 0.00 0.00 175.30 174.87 2jrs s SER 67 N -3.05 7.02 0.27 0.23 0.01 -1.26 0.15 113.70 117.07 2jrs s SER 67 Ca 0.16 1.24 0.07 0.00 1.31 0.00 0.00 55.95 58.74 2jrs s SER 67 Cb 0.06 -2.44 0.37 0.00 0.21 0.00 0.00 66.02 64.22 2jrs s SER 67 CO -0.03 -0.22 1.63 0.11 0.41 0.00 0.00 173.24 175.15 2jrs h LYS 68 N 6.94 0.14 0.00 12.44 1.57 -1.44 -3.38 116.57 132.85 2jrs h LYS 68 Ca -0.38 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2jrs h LYS 68 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jrs h LYS 68 CO 0.78 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 180.72 2jrs n GLY 69 N 0.10 1.08 3.04 3.86 0.00 -1.23 -4.97 105.19 107.07 2jrs n GLY 69 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.56 0.54 0.09 1.61 -0.85 -1.26 -0.85 117.35 116.08 2jrs s TYR 70 Ca 0.00 -0.54 -0.14 0.00 -0.52 0.00 0.00 57.07 55.87 2jrs s TYR 70 Cb 0.00 -0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.02 2jrs s TYR 70 CO 0.00 -0.13 0.34 0.20 -1.52 0.00 0.00 175.55 174.44 2jrs s GLY 71 N -1.63 -0.16 -0.23 5.49 0.00 0.53 -1.14 107.32 110.18 2jrs s GLY 71 Ca -0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 44.72 44.39 2jrs s GLY 71 CO -0.01 -0.37 0.12 -1.36 0.00 0.00 0.00 173.10 171.49 2jrs s PHE 72 N -3.45 3.25 -0.20 1.90 0.40 0.19 -0.68 117.98 119.40 2jrs s PHE 72 Ca 0.01 0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2jrs s PHE 72 Cb 0.02 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 2jrs s PHE 72 CO -0.09 0.00 -0.05 0.42 0.70 0.00 0.00 175.22 176.20 2jrs s ILE 73 N 1.00 3.45 -0.29 0.64 1.01 0.04 -0.58 121.20 126.47 2jrs s ILE 73 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 2jrs s ILE 73 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2jrs s ILE 73 CO 0.04 0.45 0.22 -0.89 0.00 0.00 0.00 174.94 174.75 2jrs s THR 74 N 1.12 5.29 0.07 2.92 2.01 -0.52 -0.49 115.64 126.05 2jrs s THR 74 Ca 0.02 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2jrs s THR 74 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2jrs s THR 74 CO -0.01 0.20 0.20 -0.36 -0.69 0.00 0.00 174.62 173.96 2jrs s PHE 75 N 1.79 3.46 0.15 4.92 0.40 0.39 -1.35 117.98 127.75 2jrs s PHE 75 Ca 0.08 0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.69 2jrs s PHE 75 Cb -0.16 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.56 2jrs s PHE 75 CO 0.11 0.57 1.35 1.03 0.70 0.00 0.00 175.22 178.98 2jrs h SER 76 N 3.00 0.00 -3.61 1.36 0.87 -1.84 -1.69 113.55 111.64 2jrs h SER 76 Ca -0.46 -0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.44 2jrs h SER 76 Cb 1.16 -0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.88 2jrs h SER 76 CO 0.73 0.92 -0.62 -0.62 -0.53 0.00 0.00 176.83 176.72 2jrs s ASP 77 N -6.74 5.16 0.09 6.23 2.15 -1.26 -3.18 116.67 119.11 2jrs s ASP 77 Ca 0.00 -0.46 -0.27 0.00 0.43 0.00 0.00 52.55 52.25 2jrs s ASP 77 Cb 0.11 -1.91 -0.16 0.00 -0.30 0.00 0.00 42.92 40.66 2jrs s ASP 77 CO 0.81 -0.12 1.69 0.77 -0.17 0.00 0.00 175.17 178.14 2jrs h SER 78 N 8.25 -0.36 -0.71 -0.34 4.64 -1.17 -1.53 113.55 122.33 2jrs h SER 78 Ca -0.35 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.08 2jrs h SER 78 Cb 1.15 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2jrs h SER 78 CO 0.60 -0.24 0.37 -0.08 -0.87 0.00 0.00 176.83 176.60 2jrs h GLU 79 N -0.39 0.61 -0.40 4.77 4.57 -1.87 0.17 114.58 122.03 2jrs h GLU 79 Ca -0.03 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2jrs h GLU 79 Cb 0.32 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2jrs h GLU 79 CO 0.04 0.41 0.17 0.00 -1.18 0.00 0.00 179.01 178.45 2jrs h ALA 81 N 1.02 0.73 -0.77 0.00 0.00 -0.53 -0.09 119.26 119.61 2jrs h ALA 81 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jrs h ALA 81 Cb 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jrs h ALA 81 CO -0.01 0.21 0.40 -0.22 0.00 0.00 0.00 179.25 179.62 2jrs h LYS 82 N 0.77 1.08 -0.22 0.00 3.64 -0.48 -0.31 116.57 121.05 2jrs h LYS 82 Ca 0.20 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2jrs h LYS 82 Cb -0.02 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2jrs h LYS 82 CO -0.04 0.80 0.03 -0.22 -2.27 0.00 0.00 179.45 177.76 2jrs h LYS 83 N 1.08 0.36 -0.33 1.90 3.64 -0.53 0.10 116.57 122.79 2jrs h LYS 83 Ca 0.27 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2jrs h LYS 83 Cb 0.06 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2jrs h LYS 83 CO -0.04 0.51 0.09 0.00 -2.27 0.00 0.00 179.45 177.74 2jrs h ALA 84 N 0.84 0.37 -0.16 5.00 0.00 -0.70 -0.82 119.26 123.79 2jrs h ALA 84 Ca 0.07 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jrs h ALA 84 Cb 0.32 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2jrs h ALA 84 CO 0.00 -0.31 -0.09 1.25 0.00 0.00 0.00 179.25 180.10 2jrs h LEU 85 N 0.22 -0.30 -1.59 0.00 6.46 -0.97 0.78 115.31 119.93 2jrs h LEU 85 Ca 0.15 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2jrs h LEU 85 Cb 0.15 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2jrs h LEU 85 CO -0.18 -0.12 -0.00 -0.08 -0.62 0.00 0.00 178.44 177.44 2jrs h GLU 86 N -0.08 0.26 0.05 1.25 4.81 -0.16 -0.94 114.58 119.76 2jrs h GLU 86 Ca 0.09 -0.04 -0.36 0.00 -0.13 0.00 0.00 59.36 58.92 2jrs h GLU 86 Cb 0.22 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2jrs h GLU 86 CO -0.21 0.29 -2.16 1.04 -0.73 0.00 0.00 179.01 177.23 2jrs n GLN 87 N -4.38 0.69 0.13 1.92 6.02 -0.37 -4.53 117.38 116.85 2jrs n GLN 87 Ca -0.00 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2jrs n GLN 87 Cb 0.18 -1.63 0.03 0.00 1.02 0.00 0.00 30.24 29.83 2jrs n GLN 87 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2jrs h LEU 88 N 0.03 0.00 -8.77 1.08 3.38 -0.76 -3.43 115.31 106.84 2jrs h LEU 88 Ca -0.47 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.96 2jrs h LEU 88 Cb 2.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2jrs h LEU 88 CO 0.02 0.01 1.44 0.21 0.09 0.00 0.00 178.44 180.21 2jrs s ASN 89 N -5.54 5.29 0.00 -0.43 3.84 -0.37 -1.09 114.94 116.65 2jrs s ASN 89 Ca 0.01 1.23 0.00 0.00 0.21 0.00 0.00 52.86 54.31 2jrs s ASN 89 Cb 0.09 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 2jrs s ASN 89 CO 0.77 -2.19 0.00 0.61 -2.79 0.00 0.00 177.10 173.49 2jrs n GLY 90 N 5.71 0.93 3.72 1.21 0.00 0.81 -4.95 105.19 112.62 2jrs n GLY 90 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 3.25 -0.57 1.61 5.36 -0.25 -4.28 117.98 121.11 2jrs s PHE 91 Ca 0.00 1.02 -0.22 0.00 -0.96 0.00 0.00 56.93 56.77 2jrs s PHE 91 Cb 0.00 -3.66 0.06 0.00 -0.34 0.00 0.00 43.02 39.08 2jrs s PHE 91 CO 0.00 -2.25 0.85 -1.83 -1.46 0.00 0.00 175.22 170.54 2jrs s GLU 92 N 0.86 3.21 -0.02 10.12 -1.05 -1.26 0.31 118.70 130.87 2jrs s GLU 92 Ca 0.63 -0.62 -0.01 0.00 -0.15 0.00 0.00 54.97 54.82 2jrs s GLU 92 Cb -0.37 -4.12 -0.00 0.00 -0.44 0.00 0.00 34.13 29.20 2jrs s GLU 92 CO 0.32 -1.50 -0.02 1.25 0.95 0.00 0.00 175.26 176.25 2jrs h LEU 93 N 10.69 0.00 -4.46 1.83 5.85 -1.86 -3.42 115.31 123.95 2jrs h LEU 93 Ca -0.27 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.76 2jrs h LEU 93 Cb 1.08 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.85 2jrs h LEU 93 CO 1.08 0.10 0.89 0.00 -0.34 0.00 0.00 178.44 180.17 2jrs n ALA 94 N -2.37 6.36 -1.89 1.25 0.00 -1.26 -4.75 120.51 117.85 2jrs n ALA 94 Ca -0.01 -3.61 -0.12 0.00 0.00 0.00 0.00 53.44 49.70 2jrs n ALA 94 Cb 0.03 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.51 0.40 3.30 0.00 0.00 -1.26 -5.01 105.19 102.10 2jrs n GLY 95 Ca 0.56 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2jrs n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jrs s ARG 96 N -3.99 0.43 0.63 1.61 3.52 -1.26 -5.09 118.95 114.81 2jrs s ARG 96 Ca 0.00 0.74 -0.18 0.00 -0.13 0.00 0.00 55.73 56.16 2jrs s ARG 96 Cb 0.00 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 2jrs s ARG 96 CO 0.00 -0.13 0.88 -2.30 -0.81 0.00 0.00 175.30 172.94 2jrs n PRO 97 N 3.82 0.72 -3.37 5.12 -0.02 -1.26 -2.77 135.00 137.24 2jrs n PRO 97 Ca -0.20 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 2jrs n PRO 97 Cb 0.56 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 2jrs n PRO 97 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2jrs s MET 98 N -2.81 3.03 -0.65 -0.52 1.75 0.15 -4.68 119.30 115.56 2jrs s MET 98 Ca 0.75 -1.02 -0.22 0.00 -1.25 0.00 0.00 55.69 53.95 2jrs s MET 98 Cb -0.40 -4.03 0.07 0.00 2.84 0.00 0.00 34.83 33.32 2jrs s MET 98 CO 0.49 -0.90 0.94 0.15 -0.65 0.00 0.00 175.02 175.04 2jrs s LYS 99 N 1.91 3.11 -0.30 4.11 -0.14 -1.15 -0.13 119.74 127.15 2jrs s LYS 99 Ca 0.08 -0.87 0.01 0.00 -1.36 0.00 0.00 55.97 53.83 2jrs s LYS 99 Cb -0.20 -4.23 0.07 0.00 -1.68 0.00 0.00 37.83 31.79 2jrs s LYS 99 CO 0.10 -1.79 -0.03 0.08 -0.76 0.00 0.00 175.35 172.96 2jrs s VAL 100 N 3.95 2.57 0.21 3.17 1.01 -1.25 0.03 120.40 130.08 2jrs s VAL 100 Ca 0.21 -1.67 0.11 0.00 0.00 0.00 0.00 61.98 60.64 2jrs s VAL 100 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2jrs s VAL 100 CO 0.10 -0.18 -0.22 -0.83 0.00 0.00 0.00 175.10 173.96 2jrs s GLY 101 N 1.18 1.70 -0.08 4.51 0.00 -0.28 -4.78 107.32 109.57 2jrs s GLY 101 Ca -0.04 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 42.98 2jrs s GLY 101 CO -0.04 -1.71 2.98 -2.39 0.00 0.00 0.00 173.10 171.94 2jrs n HIS 102 N 0.10 0.31 0.00 1.90 1.44 -1.26 -0.40 115.22 117.31 2jrs n HIS 102 Ca -0.11 -1.46 0.00 0.00 -2.01 0.00 0.00 57.72 54.14 2jrs n HIS 102 Cb 0.57 -1.24 0.00 0.00 0.12 0.00 0.00 29.99 29.44 2jrs n HIS 102 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2jrs n VAL 103 N 1.88 0.00 -3.11 0.61 0.31 -1.26 -4.71 118.33 112.05 2jrs n VAL 103 Ca 0.31 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.25 2jrs n VAL 103 Cb 0.74 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.62 2jrs n VAL 103 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2jrs s THR 104 N 0.00 5.08 0.02 2.52 -1.32 -1.26 -4.87 115.64 115.80 2jrs s THR 104 Ca 0.00 1.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.80 2jrs s THR 104 Cb 0.00 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 2jrs s THR 104 CO 0.00 0.26 0.00 -0.62 -2.21 0.00 0.00 174.62 172.05 2jrs n GLU 105 N 3.82 0.00 -2.56 7.08 1.02 -1.26 -4.97 120.64 123.76 2jrs n GLU 105 Ca -0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.96 2jrs n GLU 105 Cb 0.51 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.96 2jrs n GLU 105 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2jrs n ARG 106 N -2.55 2.21 0.18 3.49 1.85 -1.26 -4.88 116.66 115.70 2jrs n ARG 106 Ca 0.00 -3.79 -0.10 0.00 -1.00 0.00 0.00 57.85 52.97 2jrs n ARG 106 Cb 0.00 -1.72 -0.05 0.00 -1.05 0.00 0.00 32.46 29.63 2jrs n ARG 106 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 2jrs h THR 107 N 3.15 0.00 0.00 8.89 1.35 -1.93 -3.50 112.91 120.86 2jrs h THR 107 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2jrs h THR 107 Cb 1.15 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2jrs h THR 107 CO 0.59 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.19