#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 3.24 3.19 -5.12 0.00 -1.26 -5.01 105.19 100.23 2jrs n GLY 2 Ca 0.00 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 2jrs n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jrs n HIS 3 N -0.68 3.29 -3.88 1.61 -0.00 -1.26 -4.81 115.22 109.49 2jrs n HIS 3 Ca -0.02 -2.40 -0.29 0.00 -0.00 0.00 0.00 57.72 55.02 2jrs n HIS 3 Cb 0.15 -2.39 -0.12 0.00 -0.00 0.00 0.00 29.99 27.64 2jrs n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrs s HIS 4 N 5.25 3.61 -0.97 -1.40 0.09 -1.26 -4.75 115.29 115.86 2jrs s HIS 4 Ca 0.55 -3.32 0.09 0.00 -0.00 0.00 0.00 55.06 52.38 2jrs s HIS 4 Cb 0.09 -2.76 0.04 0.00 -0.00 0.00 0.00 32.58 29.95 2jrs s HIS 4 CO 0.04 -0.56 0.70 1.58 -0.00 0.00 0.00 174.74 176.50 2jrs n HIS 5 N 2.00 0.00 -3.64 1.40 -0.00 -1.26 -4.98 115.22 108.74 2jrs n HIS 5 Ca 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.84 2jrs n HIS 5 Cb 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.27 2jrs n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jrs s HIS 6 N -0.92 -0.93 -0.19 1.57 -0.00 -1.26 -5.06 115.29 108.51 2jrs s HIS 6 Ca 0.09 1.93 0.05 0.00 -0.00 0.00 0.00 55.06 57.12 2jrs s HIS 6 Cb 0.07 0.52 0.11 0.00 -0.00 0.00 0.00 32.58 33.28 2jrs s HIS 6 CO 0.15 -0.46 1.08 -2.39 -0.00 0.00 0.00 174.74 173.12 2jrs n HIS 7 N 3.86 0.11 -3.79 0.38 1.44 -1.26 -5.00 115.22 110.96 2jrs n HIS 7 Ca -0.18 -0.57 -0.12 0.00 -2.01 0.00 0.00 57.72 54.83 2jrs n HIS 7 Cb 0.58 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.54 2jrs n HIS 7 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jrs s HIS 8 N -1.29 -0.08 -0.22 -1.40 4.02 -1.26 -5.18 115.29 109.88 2jrs s HIS 8 Ca 0.09 0.00 -0.18 0.00 1.02 0.00 0.00 55.06 56.00 2jrs s HIS 8 Cb 0.07 0.05 0.06 0.00 -1.02 0.00 0.00 32.58 31.74 2jrs s HIS 8 CO 0.03 -0.42 0.58 -1.54 1.02 0.00 0.00 174.74 174.41 2jrs s SER 9 N -1.73 -0.67 -0.04 1.40 1.04 -1.26 -5.01 113.70 107.43 2jrs s SER 9 Ca -0.09 1.21 0.06 0.00 0.48 0.00 0.00 55.95 57.61 2jrs s SER 9 Cb -0.03 1.17 0.09 0.00 0.10 0.00 0.00 66.02 67.35 2jrs s SER 9 CO -0.00 -0.21 0.99 1.41 0.98 0.00 0.00 173.24 176.41 2jrs n HIS 10 N 3.34 0.00 0.81 5.02 -0.00 -1.26 -4.91 115.22 118.22 2jrs n HIS 10 Ca -0.17 -0.36 -0.02 0.00 -0.00 0.00 0.00 57.72 57.17 2jrs n HIS 10 Cb 0.56 -0.08 0.02 0.00 -0.00 0.00 0.00 29.99 30.49 2jrs n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrs n MET 11 N -0.50 1.12 -0.30 -0.41 3.85 -1.26 -3.66 117.12 115.96 2jrs n MET 11 Ca 0.05 -0.26 0.07 0.00 -1.00 0.00 0.00 57.70 56.56 2jrs n MET 11 Cb 0.62 -1.12 0.11 0.00 -1.05 0.00 0.00 33.22 31.79 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 0.35 2.39 -0.05 3.17 0.00 -1.26 -4.77 120.51 120.34 2jrs n ALA 12 Ca 0.05 -2.36 -0.14 0.00 0.00 0.00 0.00 53.44 50.99 2jrs n ALA 12 Cb 0.59 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 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 0.18 -0.00 -1.59 0.00 0.00 -2.01 -3.41 119.26 112.42 2jrs h ALA 13 Ca -0.01 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 2jrs h ALA 13 Cb 1.13 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2jrs h ALA 13 CO 0.00 -0.01 0.83 0.00 0.00 0.00 0.00 179.25 180.07 2jrs s ALA 14 N -2.62 3.05 -0.55 0.00 0.00 -1.26 -4.99 121.76 115.39 2jrs s ALA 14 Ca -0.18 -2.03 -0.25 0.00 0.00 0.00 0.00 51.96 49.50 2jrs s ALA 14 Cb -0.02 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 19.08 2jrs s ALA 14 CO 0.70 -3.03 0.98 1.41 0.00 0.00 0.00 175.76 175.83 2jrs s MET 15 N 4.17 3.38 0.19 0.00 -2.45 -1.26 -4.72 119.30 118.61 2jrs s MET 15 Ca 0.30 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 2jrs s MET 15 Cb -0.10 -4.04 0.00 0.00 1.25 0.00 0.00 34.83 31.94 2jrs s MET 15 CO 0.04 -1.50 0.00 0.00 1.05 0.00 0.00 175.02 174.61 2jrs n ALA 16 N 7.61 3.00 0.00 4.11 0.00 -1.26 -5.03 120.51 128.95 2jrs n ALA 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jrs n ALA 16 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2jrs n ALA 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jrs n ASN 17 N -3.23 0.00 -4.55 0.00 3.02 -1.26 -4.90 115.26 104.34 2jrs n ASN 17 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2jrs n ASN 17 Cb 0.00 -0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 38.34 2jrs n ASN 17 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jrs n ASN 18 N 0.00 2.47 -2.79 6.41 5.15 -1.26 -1.94 115.26 123.30 2jrs n ASN 18 Ca 0.00 -0.06 -0.05 0.00 -0.60 0.00 0.00 54.58 53.86 2jrs n ASN 18 Cb 0.00 -1.48 0.01 0.00 -0.53 0.00 0.00 39.78 37.78 2jrs n ASN 18 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2jrs n LEU 19 N 13.09 -7.16 0.28 1.20 4.77 -1.26 -4.92 117.00 123.00 2jrs n LEU 19 Ca 0.37 0.34 0.17 0.00 -0.03 0.00 0.00 56.01 56.86 2jrs n LEU 19 Cb 0.42 -3.18 0.72 0.00 -2.33 0.00 0.00 43.42 39.06 2jrs n LEU 19 CO 0.72 -1.85 0.99 0.06 -1.33 0.00 0.00 177.39 175.98 2jrs h GLN 20 N 1.44 0.00 -3.97 3.23 -0.00 -1.80 -3.35 115.11 110.66 2jrs h GLN 20 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 58.65 57.98 2jrs h GLN 20 Cb 0.94 0.00 -0.38 0.00 -0.00 0.00 0.00 27.48 28.03 2jrs h GLN 20 CO 0.21 0.04 -0.58 0.15 -0.00 0.00 0.00 178.83 178.64 2jrs s LYS 21 N -3.76 1.98 0.00 0.06 1.02 -1.26 -5.02 119.74 112.75 2jrs s LYS 21 Ca 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 55.97 53.73 2jrs s LYS 21 Cb 0.10 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2jrs s LYS 21 CO 0.54 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 2jrs n GLY 22 N 3.76 -0.53 5.00 -3.33 0.00 -1.26 -5.06 105.19 103.77 2jrs n GLY 22 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.00 -3.82 1.61 2.88 -1.26 -4.68 113.62 108.35 2jrs n SER 23 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 2jrs n SER 23 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 3.53 -3.65 -1.46 0.00 -1.26 -1.23 120.51 116.43 2jrs n ALA 24 Ca 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 53.44 50.03 2jrs n ALA 24 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 19.45 15.84 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 4.83 -0.35 0.01 0.00 0.00 -1.26 -4.97 107.32 105.58 2jrs s GLY 25 Ca 0.57 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.60 2jrs s GLY 25 CO 0.08 0.13 1.37 2.56 0.00 0.00 0.00 173.10 177.23 2jrs s PRO 26 N -2.70 4.30 -0.10 2.90 0.04 -1.11 -1.35 135.00 136.99 2jrs s PRO 26 Ca 0.13 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2jrs s PRO 26 Cb 0.02 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 31.06 2jrs s PRO 26 CO -0.02 -0.53 -0.13 1.41 0.04 0.00 0.00 177.00 177.77 2jrs s MET 27 N 2.16 2.00 -0.12 4.56 1.75 0.53 -4.90 119.30 125.28 2jrs s MET 27 Ca 0.63 -0.48 -0.09 0.00 -1.25 0.00 0.00 55.69 54.50 2jrs s MET 27 Cb -0.31 -1.74 -0.04 0.00 2.84 0.00 0.00 34.83 35.58 2jrs s MET 27 CO 0.27 -0.08 0.18 0.50 -0.65 0.00 0.00 175.02 175.24 2jrs s ARG 28 N 1.03 3.65 0.07 4.11 3.52 -1.26 -0.76 118.95 129.31 2jrs s ARG 28 Ca -0.06 -0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.57 2jrs s ARG 28 Cb -0.15 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 2jrs s ARG 28 CO -0.02 0.67 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.44 2jrs s LEU 29 N -0.77 2.55 -0.34 -0.88 1.43 0.72 -3.04 118.68 118.35 2jrs s LEU 29 Ca 0.15 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 2jrs s LEU 29 Cb -0.13 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2jrs s LEU 29 CO 0.05 0.23 0.67 -0.47 0.23 0.00 0.00 176.35 177.05 2jrs s TYR 30 N -0.98 3.17 -0.45 0.29 5.04 0.83 -1.01 117.35 124.24 2jrs s TYR 30 Ca 0.15 0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 55.22 2jrs s TYR 30 Cb -0.10 -3.14 0.12 0.00 0.35 0.00 0.00 41.96 39.18 2jrs s TYR 30 CO 0.06 -0.59 0.27 0.08 -1.34 0.00 0.00 175.55 174.02 2jrs s VAL 31 N 2.76 3.55 -0.58 3.14 1.01 0.30 -1.53 120.40 129.05 2jrs s VAL 31 Ca 0.26 -2.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.04 2jrs s VAL 31 Cb -0.14 -3.40 0.15 0.00 0.00 0.00 0.00 36.38 32.99 2jrs s VAL 31 CO 0.14 -0.73 0.46 -0.83 0.00 0.00 0.00 175.10 174.14 2jrs s GLY 32 N 1.88 2.26 0.00 4.51 0.00 0.61 -0.70 107.32 115.88 2jrs s GLY 32 Ca 0.09 -2.84 0.00 0.00 0.00 0.00 0.00 44.72 41.97 2jrs s GLY 32 CO -0.03 1.15 0.00 -1.26 0.00 0.00 0.00 173.10 172.95 2jrs n SER 33 N 4.47 0.00 -4.56 1.64 2.88 -0.60 -2.82 113.62 114.64 2jrs n SER 33 Ca -0.01 -0.26 -0.30 0.00 -1.33 0.00 0.00 58.87 56.97 2jrs n SER 33 Cb 0.41 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.83 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 3.20 -1.23 2.46 1.43 0.79 -4.86 118.68 120.47 2jrs s LEU 34 Ca 0.00 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 2jrs s LEU 34 Cb 0.00 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 2jrs s LEU 34 CO 0.00 -2.69 2.17 0.00 0.23 0.00 0.00 176.35 176.06 2jrs n HIS 35 N 13.86 2.87 -3.90 0.29 1.44 -1.26 -4.22 115.22 124.29 2jrs n HIS 35 Ca 0.34 -2.58 -0.30 0.00 -2.01 0.00 0.00 57.72 53.17 2jrs n HIS 35 Cb 0.49 -2.25 0.02 0.00 0.12 0.00 0.00 29.99 28.37 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 6.33 -2.29 0.00 -1.40 7.35 -1.26 -4.55 117.46 121.63 2jrs n PHE 36 Ca 0.53 0.89 0.00 0.00 -0.76 0.00 0.00 57.45 58.11 2jrs n PHE 36 Cb 0.38 -3.94 0.00 0.00 0.35 0.00 0.00 39.48 36.26 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 -2.81 0.00 -4.55 -2.13 5.15 -1.26 -5.08 115.26 104.57 2jrs n ASN 37 Ca 0.04 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.74 2jrs n ASN 37 Cb 0.52 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.73 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 -0.54 3.19 0.63 -1.44 -1.09 -1.26 -4.93 121.20 115.76 2jrs s ILE 38 Ca 0.00 -0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2jrs s ILE 38 Cb 0.00 -3.46 0.12 0.00 -1.58 0.00 0.00 42.46 37.54 2jrs s ILE 38 CO 0.00 -0.44 0.86 0.35 -1.23 0.00 0.00 174.94 174.48 2jrs n THR 39 N 7.98 0.00 -0.34 2.92 -2.24 -1.26 -4.87 114.28 116.47 2jrs n THR 39 Ca 0.36 -1.36 0.10 0.00 -2.27 0.00 0.00 64.05 60.88 2jrs n THR 39 Cb 0.49 -0.96 0.27 0.00 -2.10 0.00 0.00 70.33 68.04 2jrs n THR 39 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jrs h GLU 40 N 0.00 0.79 -0.09 -0.78 3.07 -1.92 -1.79 114.58 113.86 2jrs h GLU 40 Ca -0.28 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.57 2jrs h GLU 40 Cb 1.05 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.74 2jrs h GLU 40 CO 0.31 0.52 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.83 2jrs h ASP 41 N 0.82 -0.52 0.23 1.42 5.19 -1.97 0.66 116.42 122.23 2jrs h ASP 41 Ca 0.53 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 57.02 2jrs h ASP 41 Cb 0.71 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2jrs h ASP 41 CO -0.34 -0.22 -0.11 0.24 -3.12 0.00 0.00 179.24 175.69 2jrs h MET 42 N -0.23 -0.29 -0.24 3.56 2.86 -1.71 -1.62 114.93 117.25 2jrs h MET 42 Ca 0.08 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2jrs h MET 42 Cb 0.35 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2jrs h MET 42 CO -0.23 -0.11 -0.06 -0.07 1.06 0.00 0.00 176.91 177.50 2jrs h LEU 43 N -0.42 -0.21 -0.09 1.22 3.38 -1.32 -2.40 115.31 115.46 2jrs h LEU 43 Ca -0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2jrs h LEU 43 Cb 0.32 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2jrs h LEU 43 CO 0.05 -0.07 -0.06 -0.09 0.09 0.00 0.00 178.44 178.36 2jrs h ARG 44 N 0.00 -0.06 -0.36 1.13 2.43 -0.78 -0.10 114.38 116.64 2jrs h ARG 44 Ca 0.11 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2jrs h ARG 44 Cb 0.17 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2jrs h ARG 44 CO -0.24 -0.04 0.25 0.78 -1.51 0.00 0.00 179.97 179.21 2jrs h GLY 45 N -0.07 0.17 1.07 2.80 0.00 -1.03 0.02 103.07 106.04 2jrs h GLY 45 Ca 0.06 -0.05 -0.33 0.00 0.00 0.00 0.00 47.33 47.01 2jrs h GLY 45 CO -0.13 0.04 -1.65 -2.22 0.00 0.00 0.00 176.54 172.58 2jrs h ILE 46 N 0.13 1.03 0.04 2.60 2.04 -0.95 -3.40 117.51 119.01 2jrs h ILE 46 Ca 0.16 -2.65 -0.27 0.00 1.00 0.00 0.00 64.86 63.10 2jrs h ILE 46 Cb 0.48 2.74 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2jrs h ILE 46 CO -0.02 0.83 -1.44 -0.26 0.00 0.00 0.00 178.15 177.25 2jrs h PHE 47 N 0.08 0.17 -0.72 1.37 -1.00 -0.59 -3.36 116.94 112.89 2jrs h PHE 47 Ca -0.30 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.37 2jrs h PHE 47 Cb 2.06 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 41.57 2jrs h PHE 47 CO 0.08 1.16 0.47 0.93 -1.61 0.00 0.00 178.31 179.34 2jrs h GLU 48 N 0.03 0.91 0.00 1.51 5.08 -1.21 -1.08 114.58 119.82 2jrs h GLU 48 Ca -0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2jrs h GLU 48 Cb 1.94 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2jrs h GLU 48 CO 0.12 0.60 0.64 -1.35 -1.00 0.00 0.00 179.01 178.03 2jrs h PRO 49 N 0.94 0.00 0.06 2.33 0.11 -1.78 0.32 132.00 133.98 2jrs h PRO 49 Ca 0.27 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.04 2jrs h PRO 49 Cb -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2jrs h PRO 49 CO -0.06 0.00 -1.90 1.19 -0.21 0.00 0.00 178.00 177.01 2jrs n PHE 50 N -2.62 1.08 0.00 0.65 3.72 -0.41 -5.08 117.46 114.80 2jrs n PHE 50 Ca -0.01 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 2jrs n PHE 50 Cb 0.67 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 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 1.81 0.82 3.18 1.37 0.00 0.11 -4.97 105.19 107.50 2jrs n GLY 51 Ca -0.26 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 3.31 0.30 0.09 1.61 3.00 -1.26 -4.53 118.95 121.46 2jrs s ARG 52 Ca 0.00 0.72 -0.22 0.00 -1.00 0.00 0.00 55.73 55.24 2jrs s ARG 52 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 34.95 34.86 2jrs s ARG 52 CO 0.00 -0.18 0.65 0.42 0.00 0.00 0.00 175.30 176.19 2jrs s ILE 53 N 1.56 4.65 -0.13 4.11 1.09 -1.26 -4.07 121.20 127.14 2jrs s ILE 53 Ca -0.08 1.40 -0.26 0.00 -1.10 0.00 0.00 60.65 60.61 2jrs s ILE 53 Cb -0.10 -3.99 -0.26 0.00 -1.06 0.00 0.00 42.46 37.05 2jrs s ILE 53 CO -0.11 0.52 0.72 -0.33 -0.10 0.00 0.00 174.94 175.64 2jrs h GLU 54 N 4.69 0.07 -3.00 2.79 5.08 -1.05 -3.48 114.58 119.68 2jrs h GLU 54 Ca -0.48 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 57.62 2jrs h GLU 54 Cb 1.21 0.05 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 2jrs h GLU 54 CO 0.65 1.06 -0.33 -1.54 -1.00 0.00 0.00 179.01 177.86 2jrs s SER 55 N -6.48 -0.28 -0.30 1.42 1.04 -1.23 -5.03 113.70 102.84 2jrs s SER 55 Ca -0.19 0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2jrs s SER 55 Cb -0.01 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.73 2jrs s SER 55 CO 0.71 -0.22 -0.02 -0.63 0.98 0.00 0.00 173.24 174.06 2jrs s ILE 56 N -0.34 2.08 -0.37 -1.02 1.01 -1.26 -1.02 121.20 120.27 2jrs s ILE 56 Ca -0.05 -1.91 -0.12 0.00 0.00 0.00 0.00 60.65 58.57 2jrs s ILE 56 Cb -0.03 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 40.07 2jrs s ILE 56 CO 0.02 -0.34 0.22 -1.10 0.00 0.00 0.00 174.94 173.74 2jrs s GLN 57 N 1.07 3.04 -0.10 2.79 -1.52 0.28 -4.94 119.66 120.28 2jrs s GLN 57 Ca 0.02 -0.95 -0.09 0.00 -1.95 0.00 0.00 55.36 52.39 2jrs s GLN 57 Cb -0.19 -3.77 -0.04 0.00 -0.22 0.00 0.00 33.01 28.78 2jrs s GLN 57 CO -0.08 -0.63 0.20 -0.51 -0.25 0.00 0.00 175.29 174.02 2jrs s LEU 58 N 1.62 4.40 -0.59 2.90 1.02 -1.26 0.53 118.68 127.29 2jrs s LEU 58 Ca 0.04 0.57 -0.19 0.00 0.02 0.00 0.00 54.13 54.57 2jrs s LEU 58 Cb -0.19 -2.19 0.10 0.00 0.02 0.00 0.00 46.19 43.94 2jrs s LEU 58 CO 0.08 0.38 0.72 -0.04 0.02 0.00 0.00 176.35 177.51 2jrs s MET 59 N -1.00 3.05 -0.21 1.70 -1.94 -0.87 -4.98 119.30 115.06 2jrs s MET 59 Ca 0.17 -1.25 -0.04 0.00 -1.71 0.00 0.00 55.69 52.86 2jrs s MET 59 Cb -0.13 -4.25 0.11 0.00 2.01 0.00 0.00 34.83 32.56 2jrs s MET 59 CO 0.06 -1.55 0.32 0.00 -0.01 0.00 0.00 175.02 173.84 2jrs s MET 60 N 2.80 0.27 -1.34 2.03 0.23 -1.26 -1.07 119.30 120.97 2jrs s MET 60 Ca 0.13 0.53 -0.17 0.00 -1.03 0.00 0.00 55.69 55.15 2jrs s MET 60 Cb -0.23 -0.52 0.06 0.00 -1.53 0.00 0.00 34.83 32.61 2jrs s MET 60 CO 0.07 -0.55 1.85 -0.25 -2.03 0.00 0.00 175.02 174.11 2jrs n ASP 61 N 5.35 4.70 -0.26 -1.18 9.92 -0.81 -4.78 116.55 129.49 2jrs n ASP 61 Ca -0.05 -2.90 0.33 0.00 -0.53 0.00 0.00 54.79 51.64 2jrs n ASP 61 Cb 0.50 -1.73 0.72 0.00 -0.64 0.00 0.00 41.12 39.97 2jrs n ASP 61 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2jrs h SER 62 N 7.20 0.00 -0.51 -2.24 0.02 -1.93 0.21 113.55 116.30 2jrs h SER 62 Ca 0.48 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.48 2jrs h SER 62 Cb 0.82 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 2jrs h SER 62 CO 1.56 0.00 0.22 -0.08 -1.14 0.00 0.00 176.83 177.39 2jrs h GLU 63 N 0.00 0.42 0.00 3.45 4.81 -1.97 -3.44 114.58 117.84 2jrs h GLU 63 Ca 0.52 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2jrs h GLU 63 Cb 2.23 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.51 2jrs h GLU 63 CO -0.01 0.28 0.00 -2.37 -0.73 0.00 0.00 179.01 176.18 2jrs n THR 64 N -4.94 0.00 0.14 0.32 5.66 -0.08 -4.95 114.28 110.43 2jrs n THR 64 Ca 0.05 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.04 2jrs n THR 64 Cb 0.17 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 69.13 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 -0.09 1.09 0.00 -1.03 -3.49 103.07 99.55 2jrs h GLY 65 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2jrs h GLY 65 CO 0.00 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 177.07 2jrs n ARG 66 N -3.74 -0.08 -1.61 4.80 1.74 0.45 -4.61 116.66 113.61 2jrs n ARG 66 Ca -0.01 0.05 -0.45 0.00 -0.77 0.00 0.00 57.85 56.67 2jrs n ARG 66 Cb 0.62 -0.10 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 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 -2.36 3.34 0.00 0.55 2.88 -1.26 -1.93 113.62 114.84 2jrs n SER 67 Ca 0.00 0.54 0.13 0.00 -1.33 0.00 0.00 58.87 58.21 2jrs n SER 67 Cb 0.02 -1.47 0.58 0.00 -0.75 0.00 0.00 64.21 62.58 2jrs n SER 67 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jrs n LYS 68 N 7.99 0.08 -0.23 -1.46 5.02 -0.23 -4.91 118.16 124.43 2jrs n LYS 68 Ca 0.28 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2jrs n LYS 68 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2jrs n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jrs n GLY 69 N 1.12 0.68 3.06 0.72 0.00 -1.26 -5.02 105.19 104.49 2jrs n GLY 69 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.35 0.09 0.02 1.61 1.13 -1.26 -0.15 117.35 116.45 2jrs s TYR 70 Ca 0.00 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.46 2jrs s TYR 70 Cb 0.00 -0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.76 2jrs s TYR 70 CO 0.00 -0.24 -0.04 0.20 -2.51 0.00 0.00 175.55 172.96 2jrs s GLY 71 N -1.27 0.27 -0.27 5.49 0.00 0.12 -2.05 107.32 109.62 2jrs s GLY 71 Ca -0.14 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 2jrs s GLY 71 CO 0.01 -0.52 0.18 -1.36 0.00 0.00 0.00 173.10 171.41 2jrs s PHE 72 N -0.98 3.25 -0.19 1.90 0.40 0.19 -0.54 117.98 122.01 2jrs s PHE 72 Ca -0.09 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 2jrs s PHE 72 Cb -0.07 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 2jrs s PHE 72 CO -0.00 -0.09 -0.04 0.42 0.70 0.00 0.00 175.22 176.21 2jrs s ILE 73 N 1.51 3.65 -0.27 0.64 1.01 -0.18 -0.55 121.20 127.01 2jrs s ILE 73 Ca 0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 2jrs s ILE 73 Cb -0.15 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2jrs s ILE 73 CO 0.09 0.45 0.16 -0.89 0.00 0.00 0.00 174.94 174.75 2jrs s THR 74 N 0.93 5.10 0.10 2.92 2.01 -0.19 -0.20 115.64 126.30 2jrs s THR 74 Ca -0.00 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.11 2jrs s THR 74 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2jrs s THR 74 CO 0.01 0.28 0.24 -0.36 -0.69 0.00 0.00 174.62 174.10 2jrs s PHE 75 N 1.65 3.50 -0.64 4.92 0.40 0.06 -0.37 117.98 127.49 2jrs s PHE 75 Ca 0.07 0.19 0.25 0.00 -0.60 0.00 0.00 56.93 56.84 2jrs s PHE 75 Cb -0.16 -1.72 0.90 0.00 0.51 0.00 0.00 43.02 42.55 2jrs s PHE 75 CO 0.09 0.56 1.75 0.45 0.70 0.00 0.00 175.22 178.76 2jrs n SER 76 N -0.06 0.70 -3.94 1.36 2.88 -1.26 -0.35 113.62 112.96 2jrs n SER 76 Ca -0.06 0.61 -0.16 0.00 -1.33 0.00 0.00 58.87 57.93 2jrs n SER 76 Cb 0.52 -0.78 -0.15 0.00 -0.75 0.00 0.00 64.21 63.06 2jrs n SER 76 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jrs s ASP 77 N -4.31 0.55 0.38 -3.46 2.15 -1.21 -2.75 116.67 108.03 2jrs s ASP 77 Ca 0.08 -0.08 0.17 0.00 0.43 0.00 0.00 52.55 53.15 2jrs s ASP 77 Cb 0.11 -0.09 0.76 0.00 -0.30 0.00 0.00 42.92 43.40 2jrs s ASP 77 CO 0.50 0.04 1.79 -1.28 -0.17 0.00 0.00 175.17 176.05 2jrs h SER 78 N 6.17 0.00 0.22 -0.34 0.87 0.12 0.11 113.55 120.70 2jrs h SER 78 Ca -0.29 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.96 2jrs h SER 78 Cb 1.19 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.18 2jrs h SER 78 CO 0.50 0.37 -1.41 -0.08 -0.53 0.00 0.00 176.83 175.68 2jrs h GLU 79 N 0.00 0.47 -0.85 2.24 4.57 -1.89 -0.08 114.58 119.04 2jrs h GLU 79 Ca -0.00 -0.81 -0.02 0.00 -1.18 0.00 0.00 59.36 57.35 2jrs h GLU 79 Cb 0.78 0.30 -0.04 0.00 -0.16 0.00 0.00 28.75 29.64 2jrs h GLU 79 CO 0.05 1.39 0.47 0.00 -1.18 0.00 0.00 179.01 179.74 2jrs h ALA 81 N 1.33 0.16 0.00 0.00 0.00 -0.77 -1.83 119.26 118.15 2jrs h ALA 81 Ca 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jrs h ALA 81 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jrs h ALA 81 CO -0.05 -0.34 -0.21 0.87 0.00 0.00 0.00 179.25 179.53 2jrs h LYS 82 N 0.15 0.00 0.47 0.00 1.57 -0.74 0.17 116.57 118.20 2jrs h LYS 82 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2jrs h LYS 82 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2jrs h LYS 82 CO -0.01 0.21 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.64 2jrs h LYS 83 N 0.00 -0.60 0.18 3.15 3.64 -0.13 0.18 116.57 122.98 2jrs h LYS 83 Ca -0.00 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jrs h LYS 83 Cb 0.58 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2jrs h LYS 83 CO 0.03 -0.32 -0.09 0.00 -2.27 0.00 0.00 179.45 176.80 2jrs h ALA 84 N -0.36 -0.24 -0.05 5.00 0.00 -1.21 -2.42 119.26 119.98 2jrs h ALA 84 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jrs h ALA 84 Cb 0.56 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2jrs h ALA 84 CO 0.10 -0.62 -0.33 1.25 0.00 0.00 0.00 179.25 179.65 2jrs h LEU 85 N -0.28 -1.05 -1.89 0.00 6.46 -0.68 0.68 115.31 118.55 2jrs h LEU 85 Ca -0.02 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2jrs h LEU 85 Cb 0.21 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2jrs h LEU 85 CO 0.04 -0.31 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.19 2jrs h GLU 86 N -0.38 0.00 0.00 1.25 4.39 -0.69 0.56 114.58 119.70 2jrs h GLU 86 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jrs h GLU 86 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jrs h GLU 86 CO -0.25 0.03 -1.10 1.04 -1.16 0.00 0.00 179.01 177.57 2jrs n GLN 87 N -3.18 0.30 -0.00 2.33 3.00 -0.91 -4.48 117.38 114.43 2jrs n GLN 87 Ca -0.01 -0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 2jrs n GLN 87 Cb 0.25 -1.58 -0.07 0.00 0.00 0.00 0.00 30.24 28.83 2jrs n GLN 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2jrs n LEU 88 N -1.96 0.26 -4.55 1.08 4.77 0.21 -4.70 117.00 112.10 2jrs n LEU 88 Ca 0.02 -0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.38 2jrs n LEU 88 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2jrs n LEU 88 CO 0.41 0.06 1.55 0.54 -1.33 0.00 0.00 177.39 178.62 2jrs s ASN 89 N -2.57 5.18 0.00 -1.43 2.20 0.10 -1.00 114.94 117.42 2jrs s ASN 89 Ca 0.00 0.08 0.00 0.00 -0.94 0.00 0.00 52.86 52.01 2jrs s ASN 89 Cb 0.07 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.79 2jrs s ASN 89 CO 0.44 -2.52 0.00 0.61 -2.94 0.00 0.00 177.10 172.69 2jrs n GLY 90 N 6.04 0.93 3.70 0.45 0.00 0.37 -4.90 105.19 111.78 2jrs n GLY 90 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 2.73 -0.81 1.61 5.36 -0.17 -4.49 117.98 120.21 2jrs s PHE 91 Ca 0.00 0.49 -0.26 0.00 -0.96 0.00 0.00 56.93 56.20 2jrs s PHE 91 Cb 0.00 -3.93 0.02 0.00 -0.34 0.00 0.00 43.02 38.77 2jrs s PHE 91 CO 0.00 -3.57 1.51 -2.00 -1.46 0.00 0.00 175.22 169.70 2jrs s GLU 92 N 1.95 3.11 -0.27 10.12 2.12 -1.26 0.20 118.70 134.68 2jrs s GLU 92 Ca 0.72 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.61 2jrs s GLU 92 Cb -0.41 -4.63 -0.05 0.00 0.26 0.00 0.00 34.13 29.31 2jrs s GLU 92 CO 0.32 -2.42 0.26 -1.17 -0.54 0.00 0.00 175.26 171.70 2jrs s LEU 93 N 6.68 4.04 -2.04 2.70 2.96 0.11 -4.38 118.68 128.75 2jrs s LEU 93 Ca 0.48 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2jrs s LEU 93 Cb -0.07 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2jrs s LEU 93 CO 0.08 -0.08 0.00 0.00 -1.32 0.00 0.00 176.35 175.02 2jrs n ALA 94 N 5.05 -0.30 -0.21 5.97 0.00 -1.26 -0.71 120.51 129.05 2jrs n ALA 94 Ca -0.12 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jrs n ALA 94 Cb 0.52 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.37 0.84 3.00 0.00 0.00 -1.26 -5.08 105.19 102.31 2jrs n GLY 95 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 1.28 0.26 1.61 3.52 0.11 -5.08 118.95 119.86 2jrs s ARG 96 Ca 0.00 -0.33 -0.31 0.00 -0.13 0.00 0.00 55.73 54.96 2jrs s ARG 96 Cb 0.00 -1.13 -0.12 0.00 -1.56 0.00 0.00 34.95 32.14 2jrs s ARG 96 CO 0.00 0.05 1.64 -0.35 -0.81 0.00 0.00 175.30 175.83 2jrs n PRO 97 N 3.64 2.71 -3.51 5.12 -0.04 -1.26 0.07 135.00 141.73 2jrs n PRO 97 Ca -0.22 0.97 -0.40 0.00 -0.04 0.00 0.00 63.50 63.81 2jrs n PRO 97 Cb 0.52 -2.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 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 0.15 3.67 -0.57 0.54 1.75 0.13 -4.77 119.30 120.20 2jrs s MET 98 Ca 0.69 -0.46 -0.22 0.00 -1.25 0.00 0.00 55.69 54.45 2jrs s MET 98 Cb -0.51 -3.76 0.06 0.00 2.84 0.00 0.00 34.83 33.47 2jrs s MET 98 CO 0.42 -0.38 0.83 0.15 -0.65 0.00 0.00 175.02 175.39 2jrs s LYS 99 N 1.82 3.19 -0.28 4.11 1.02 -1.13 -0.48 119.74 127.99 2jrs s LYS 99 Ca 0.08 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.35 2jrs s LYS 99 Cb -0.17 -4.13 0.03 0.00 -0.52 0.00 0.00 37.83 33.05 2jrs s LYS 99 CO 0.11 -1.49 -0.01 0.08 -0.92 0.00 0.00 175.35 173.11 2jrs s VAL 100 N 3.45 3.09 -0.47 3.17 1.01 -1.25 -0.29 120.40 129.12 2jrs s VAL 100 Ca 0.22 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 61.12 2jrs s VAL 100 Cb -0.17 -2.66 0.19 0.00 0.00 0.00 0.00 36.38 33.74 2jrs s VAL 100 CO 0.13 0.05 0.59 0.61 0.00 0.00 0.00 175.10 176.48 2jrs n GLY 101 N 4.68 0.69 6.70 4.51 0.00 -0.58 -4.53 105.19 116.65 2jrs n GLY 101 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2jrs n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jrs n HIS 102 N 2.66 -0.21 -2.66 1.61 1.44 -1.26 -4.14 115.22 112.66 2jrs n HIS 102 Ca 0.22 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.50 2jrs n HIS 102 Cb 0.54 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 2jrs n HIS 102 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2jrs s VAL 103 N 0.00 4.51 0.00 0.61 1.01 -1.17 -0.12 120.40 125.24 2jrs s VAL 103 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2jrs s VAL 103 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2jrs s VAL 103 CO 0.00 -0.50 0.15 0.35 0.00 0.00 0.00 175.10 175.10 2jrs n THR 104 N 5.91 0.00 -2.22 3.92 -2.24 -1.26 -4.83 114.28 113.55 2jrs n THR 104 Ca 0.11 0.65 -0.32 0.00 -2.27 0.00 0.00 64.05 62.22 2jrs n THR 104 Cb 0.47 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.27 2jrs n THR 104 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2jrs s GLU 105 N -0.29 3.76 0.00 -0.78 0.41 -1.26 -5.08 118.70 115.45 2jrs s GLU 105 Ca 0.00 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 55.52 2jrs s GLU 105 Cb 0.00 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 2jrs s GLU 105 CO 0.00 -0.43 0.00 2.89 -0.49 0.00 0.00 175.26 177.23 2jrs n ARG 106 N -1.90 0.26 -2.41 1.61 1.85 -1.26 -5.07 116.66 109.73 2jrs n ARG 106 Ca 0.07 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.55 2jrs n ARG 106 Cb 0.54 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.92 2jrs n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jrs s THR 107 N -1.47 3.82 0.00 8.89 2.01 -1.26 -5.32 115.64 122.31 2jrs s THR 107 Ca 0.00 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.11 2jrs s THR 107 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.69 2jrs s THR 107 CO 0.00 -1.67 0.00 -0.67 -0.69 0.00 0.00 174.62 171.59