#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 0.95 0.00 3.03 0.00 -1.26 -4.96 105.19 102.96 2jrs n GLY 2 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.22 1.61 -0.00 -1.26 -5.03 115.22 109.32 2jrs n HIS 3 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 2jrs n HIS 3 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2jrs n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrs n HIS 4 N -0.02 -0.40 -2.42 4.41 -0.00 -1.26 -3.68 115.22 111.85 2jrs n HIS 4 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2jrs n HIS 4 Cb 0.00 -2.20 -0.01 0.00 -0.00 0.00 0.00 29.99 27.77 2jrs n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jrs n HIS 5 N -1.65 -4.78 0.30 1.57 -0.00 -1.26 -4.83 115.22 104.56 2jrs n HIS 5 Ca -0.10 2.83 0.18 0.00 -0.00 0.00 0.00 57.72 60.63 2jrs n HIS 5 Cb 0.36 -3.89 0.89 0.00 -0.00 0.00 0.00 29.99 27.35 2jrs n HIS 5 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jrs h HIS 6 N 4.24 0.00 0.00 4.41 -0.00 -1.99 -3.45 115.15 118.36 2jrs h HIS 6 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2jrs h HIS 6 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2jrs h HIS 6 CO 0.00 0.03 0.00 1.58 -0.00 0.00 0.00 177.93 179.54 2jrs n HIS 7 N -3.21 0.00 -3.15 2.45 -0.00 -1.26 -4.92 115.22 105.13 2jrs n HIS 7 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.30 2jrs n HIS 7 Cb 0.21 -1.28 -0.07 0.00 -0.00 0.00 0.00 29.99 28.85 2jrs n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrs s HIS 8 N -1.52 3.25 -0.22 1.57 4.02 -1.26 -5.05 115.29 116.07 2jrs s HIS 8 Ca 0.00 0.65 -0.04 0.00 1.02 0.00 0.00 55.06 56.69 2jrs s HIS 8 Cb 0.00 -2.87 -0.01 0.00 -1.02 0.00 0.00 32.58 28.68 2jrs s HIS 8 CO 0.00 -0.38 -0.04 -1.12 1.02 0.00 0.00 174.74 174.22 2jrs s SER 9 N 1.57 4.32 0.62 1.40 0.01 -1.26 -5.01 113.70 115.35 2jrs s SER 9 Ca 0.24 -0.39 0.40 0.00 1.31 0.00 0.00 55.95 57.51 2jrs s SER 9 Cb -0.15 -1.74 2.17 0.00 0.21 0.00 0.00 66.02 66.51 2jrs s SER 9 CO 0.10 -0.02 2.22 1.12 0.41 0.00 0.00 173.24 177.07 2jrs h HIS 10 N 8.12 0.00 -5.09 2.43 -0.00 -2.04 -3.47 115.15 115.09 2jrs h HIS 10 Ca -0.41 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 59.96 2jrs h HIS 10 Cb 1.16 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.47 2jrs h HIS 10 CO 0.59 0.00 -1.41 -0.12 -0.00 0.00 0.00 177.93 176.99 2jrs n MET 11 N -2.94 -4.22 0.00 5.12 0.00 -1.26 -5.02 117.12 108.79 2jrs n MET 11 Ca -0.03 3.23 0.00 0.00 -0.00 0.00 0.00 57.70 60.90 2jrs n MET 11 Cb 0.10 -5.00 0.00 0.00 0.00 0.00 0.00 33.22 28.32 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 1.49 0.49 -1.50 -5.12 0.00 -1.26 -5.07 120.51 109.54 2jrs n ALA 12 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 2jrs n ALA 12 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.26 0.83 -0.61 0.00 0.00 -1.26 -4.36 120.51 114.85 2jrs n ALA 13 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jrs n ALA 13 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 16.70 2jrs n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrs n ALA 14 N 12.40 0.11 -0.14 0.00 0.00 -1.26 -5.06 120.51 126.56 2jrs n ALA 14 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2jrs n ALA 14 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2jrs n ALA 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jrs n MET 15 N 0.00 0.00 -3.03 0.00 0.00 -1.26 -4.83 117.12 108.01 2jrs n MET 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 2jrs n MET 15 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.33 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 0.14 -2.78 1.03 3.04 0.00 -1.26 -4.94 120.51 115.75 2jrs n ALA 16 Ca 0.00 0.52 0.11 0.00 0.00 0.00 0.00 53.44 54.08 2jrs n ALA 16 Cb 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 0.41 1.84 -4.34 0.00 3.02 -1.26 -4.90 115.26 110.02 2jrs n ASN 17 Ca 0.01 -1.40 -0.34 0.00 -0.03 0.00 0.00 54.58 52.82 2jrs n ASN 17 Cb 0.38 0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 2jrs n ASN 17 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2jrs s ASN 18 N -2.52 4.26 0.26 6.41 -0.87 -1.26 -4.92 114.94 116.30 2jrs s ASN 18 Ca 0.18 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 2jrs s ASN 18 Cb 0.18 -1.71 0.00 0.00 -0.02 0.00 0.00 41.25 39.71 2jrs s ASN 18 CO 0.59 0.05 0.00 -0.11 -2.57 0.00 0.00 177.10 175.06 2jrs n LEU 19 N 4.31 -0.40 -3.20 0.60 7.94 -1.26 -5.07 117.00 119.92 2jrs n LEU 19 Ca -0.18 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 2jrs n LEU 19 Cb 0.51 0.57 -0.01 0.00 0.53 0.00 0.00 43.42 45.02 2jrs n LEU 19 CO 0.30 -0.68 0.06 -1.58 -1.11 0.00 0.00 177.39 174.38 2jrs s GLN 20 N -2.00 0.62 -0.41 1.96 0.74 -1.26 -5.11 119.66 114.20 2jrs s GLN 20 Ca 0.00 0.20 -0.36 0.00 0.05 0.00 0.00 55.36 55.25 2jrs s GLN 20 Cb 0.00 0.09 -0.13 0.00 1.10 0.00 0.00 33.01 34.07 2jrs s GLN 20 CO 0.00 -1.09 2.21 0.36 -0.55 0.00 0.00 175.29 176.21 2jrs n LYS 21 N 5.08 0.83 0.00 1.67 2.85 -1.26 -0.75 118.16 126.57 2jrs n LYS 21 Ca 0.06 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2jrs n LYS 21 Cb 0.54 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 2jrs n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jrs n GLY 22 N 6.72 1.17 2.20 2.58 0.00 -1.26 -4.97 105.19 111.63 2jrs n GLY 22 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2jrs n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jrs n SER 23 N 0.00 -6.08 -0.30 1.61 3.41 0.07 -4.82 113.62 107.51 2jrs n SER 23 Ca 0.00 1.54 -0.04 0.00 -0.26 0.00 0.00 58.87 60.11 2jrs n SER 23 Cb 0.00 -3.88 0.02 0.00 -0.26 0.00 0.00 64.21 60.09 2jrs n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jrs h ALA 24 N 4.18 0.02 0.00 7.33 0.00 -1.83 -3.45 119.26 125.51 2jrs h ALA 24 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jrs h ALA 24 Cb 0.00 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jrs h ALA 24 CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 179.25 178.99 2jrs n GLY 25 N -1.45 -0.10 3.69 0.00 0.00 -1.22 -4.88 105.19 101.24 2jrs n GLY 25 Ca 0.07 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.26 -0.03 1.61 0.04 -1.26 -1.95 135.00 137.67 2jrs s PRO 26 Ca 0.00 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2jrs s PRO 26 Cb 0.00 -3.61 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 2jrs s PRO 26 CO 0.00 -0.63 -0.22 1.41 0.04 0.00 0.00 177.00 177.59 2jrs s MET 27 N 2.59 1.97 -0.10 4.56 1.75 -0.86 -4.91 119.30 124.30 2jrs s MET 27 Ca 0.66 -0.80 -0.00 0.00 -1.25 0.00 0.00 55.69 54.30 2jrs s MET 27 Cb -0.33 -1.82 -0.03 0.00 2.84 0.00 0.00 34.83 35.49 2jrs s MET 27 CO 0.28 0.43 -0.08 0.50 -0.65 0.00 0.00 175.02 175.50 2jrs s ARG 28 N -0.38 3.12 -0.09 4.11 3.52 -1.26 -0.76 118.95 127.20 2jrs s ARG 28 Ca 0.05 -0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2jrs s ARG 28 Cb -0.10 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 2jrs s ARG 28 CO 0.00 0.46 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.38 2jrs s LEU 29 N -0.25 3.21 -0.44 -0.88 1.43 0.57 -4.10 118.68 118.23 2jrs s LEU 29 Ca 0.03 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 2jrs s LEU 29 Cb -0.13 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2jrs s LEU 29 CO 0.03 0.32 0.72 -0.47 0.23 0.00 0.00 176.35 177.18 2jrs s TYR 30 N -0.55 3.03 -0.41 0.29 5.04 0.97 -1.22 117.35 124.49 2jrs s TYR 30 Ca 0.08 0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.75 2jrs s TYR 30 Cb -0.12 -3.50 0.10 0.00 0.35 0.00 0.00 41.96 38.79 2jrs s TYR 30 CO 0.02 -0.92 0.23 0.08 -1.34 0.00 0.00 175.55 173.62 2jrs s VAL 31 N 3.06 3.64 -0.62 3.14 1.01 0.09 -0.98 120.40 129.73 2jrs s VAL 31 Ca 0.27 -1.82 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 2jrs s VAL 31 Cb -0.13 -3.38 0.16 0.00 0.00 0.00 0.00 36.38 33.03 2jrs s VAL 31 CO 0.21 -0.63 0.43 -0.83 0.00 0.00 0.00 175.10 174.28 2jrs s GLY 32 N 2.02 2.53 0.00 4.51 0.00 -0.17 -0.01 107.32 116.20 2jrs s GLY 32 Ca 0.06 -3.31 0.00 0.00 0.00 0.00 0.00 44.72 41.46 2jrs s GLY 32 CO -0.02 1.09 0.38 -1.26 0.00 0.00 0.00 173.10 173.29 2jrs n SER 33 N 3.34 -0.08 -4.48 1.64 2.88 -0.81 -3.58 113.62 112.53 2jrs n SER 33 Ca 0.08 -0.76 -0.42 0.00 -1.33 0.00 0.00 58.87 56.43 2jrs n SER 33 Cb 0.37 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.82 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 4.04 -1.01 2.46 1.43 -0.18 -4.77 118.68 120.65 2jrs s LEU 34 Ca 0.00 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 52.02 2jrs s LEU 34 Cb 0.00 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.64 2jrs s LEU 34 CO 0.00 -1.55 1.92 0.00 0.23 0.00 0.00 176.35 176.95 2jrs n HIS 35 N 8.18 2.39 -1.02 0.29 1.44 -1.26 -4.10 115.22 121.14 2jrs n HIS 35 Ca -0.01 -1.60 -0.07 0.00 -2.01 0.00 0.00 57.72 54.03 2jrs n HIS 35 Cb 0.47 -2.24 -0.03 0.00 0.12 0.00 0.00 29.99 28.30 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 11.60 -0.30 0.00 -1.40 3.72 -1.26 -4.34 117.46 125.47 2jrs n PHE 36 Ca 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 2jrs n PHE 36 Cb 0.44 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.06 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 0.19 0.00 -4.60 4.37 4.05 -1.26 -4.89 115.26 113.12 2jrs n ASN 37 Ca -0.07 0.00 -0.51 0.00 0.45 0.00 0.00 54.58 54.46 2jrs n ASN 37 Cb 0.32 0.04 -0.05 0.00 1.23 0.00 0.00 39.78 41.32 2jrs n ASN 37 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2jrs n ILE 38 N -1.90 0.17 -2.86 -1.44 2.08 -1.26 -4.97 119.36 109.17 2jrs n ILE 38 Ca 0.00 -0.04 -0.19 0.00 0.56 0.00 0.00 62.75 63.08 2jrs n ILE 38 Cb 0.00 -0.93 0.02 0.00 -0.75 0.00 0.00 39.64 37.98 2jrs n ILE 38 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2jrs s THR 39 N 0.41 2.83 0.27 1.39 -4.23 -1.26 -4.98 115.64 110.07 2jrs s THR 39 Ca 0.81 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 2jrs s THR 39 Cb -0.89 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.17 2jrs s THR 39 CO 0.47 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 176.07 2jrs h GLU 40 N 0.39 0.99 -0.57 3.99 3.07 -1.96 -3.04 114.58 117.44 2jrs h GLU 40 Ca -0.40 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.24 2jrs h GLU 40 Cb 1.29 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 29.00 2jrs h GLU 40 CO 0.47 0.79 0.11 -0.44 -1.40 0.00 0.00 179.01 178.54 2jrs h ASP 41 N 0.97 0.85 0.04 1.42 5.19 -1.98 0.81 116.42 123.73 2jrs h ASP 41 Ca 0.23 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2jrs h ASP 41 Cb 0.16 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2jrs h ASP 41 CO -0.02 0.85 -0.02 -0.03 -3.12 0.00 0.00 179.24 176.90 2jrs h MET 42 N 0.86 -0.05 0.07 3.56 4.05 -1.94 0.46 114.93 121.95 2jrs h MET 42 Ca 0.18 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 2jrs h MET 42 Cb 0.36 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 2jrs h MET 42 CO 0.01 0.12 -0.20 -0.07 0.23 0.00 0.00 176.91 177.00 2jrs h LEU 43 N -0.22 -0.56 -0.97 3.39 3.38 -1.42 -1.98 115.31 116.93 2jrs h LEU 43 Ca -0.01 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.19 2jrs h LEU 43 Cb 0.20 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 2jrs h LEU 43 CO 0.01 -0.27 0.58 -0.09 0.09 0.00 0.00 178.44 178.75 2jrs h ARG 44 N -0.36 0.79 -0.44 1.13 2.43 -0.79 0.15 114.38 117.29 2jrs h ARG 44 Ca 0.04 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2jrs h ARG 44 Cb 0.39 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2jrs h ARG 44 CO -0.13 0.52 0.29 0.78 -1.51 0.00 0.00 179.97 179.92 2jrs h GLY 45 N 0.81 0.57 0.56 2.80 0.00 -0.17 0.84 103.07 108.48 2jrs h GLY 45 Ca 0.52 -0.21 -0.26 0.00 0.00 0.00 0.00 47.33 47.39 2jrs h GLY 45 CO -0.34 0.19 -1.30 -2.22 0.00 0.00 0.00 176.54 172.87 2jrs h ILE 46 N 0.53 1.11 0.04 2.60 2.04 -0.56 -3.41 117.51 119.86 2jrs h ILE 46 Ca 0.17 -2.42 -0.24 0.00 1.00 0.00 0.00 64.86 63.38 2jrs h ILE 46 Cb 0.03 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 2jrs h ILE 46 CO -0.04 0.70 -1.13 -0.26 0.00 0.00 0.00 178.15 177.42 2jrs h PHE 47 N -0.34 0.15 -0.51 1.37 -1.00 -0.68 -3.36 116.94 112.58 2jrs h PHE 47 Ca -0.28 -0.11 0.07 0.00 2.81 0.00 0.00 57.97 60.47 2jrs h PHE 47 Cb 1.72 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 41.22 2jrs h PHE 47 CO 0.14 1.09 0.16 1.49 -1.61 0.00 0.00 178.31 179.58 2jrs h GLU 48 N 0.02 0.32 0.00 1.51 4.57 -1.04 -1.19 114.58 118.77 2jrs h GLU 48 Ca -0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2jrs h GLU 48 Cb 1.85 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.37 2jrs h GLU 48 CO 0.15 0.21 0.37 -1.35 -1.18 0.00 0.00 179.01 177.21 2jrs h PRO 49 N 0.33 0.00 0.00 0.92 0.11 -1.80 0.02 132.00 131.58 2jrs h PRO 49 Ca 0.25 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.13 2jrs h PRO 49 Cb 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 2jrs h PRO 49 CO -0.27 0.00 -1.16 0.74 -0.21 0.00 0.00 178.00 177.10 2jrs h PHE 50 N 0.00 0.00 0.00 0.65 0.04 -1.44 -3.49 116.94 112.70 2jrs h PHE 50 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jrs h PHE 50 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2jrs h PHE 50 CO 0.00 0.98 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 2jrs n GLY 51 N 1.40 -1.07 3.64 -1.45 0.00 -0.01 -4.73 105.19 102.97 2jrs n GLY 51 Ca -0.04 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 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 0.92 0.54 -0.18 1.61 3.52 -1.25 -4.91 118.95 119.21 2jrs s ARG 52 Ca 0.00 0.73 -0.13 0.00 -0.13 0.00 0.00 55.73 56.19 2jrs s ARG 52 Cb 0.00 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.57 2jrs s ARG 52 CO 0.00 -0.08 0.27 0.42 -0.81 0.00 0.00 175.30 175.10 2jrs s ILE 53 N 0.61 5.32 -0.10 4.11 1.09 -1.26 -1.59 121.20 129.39 2jrs s ILE 53 Ca -0.01 0.48 -0.16 0.00 -1.10 0.00 0.00 60.65 59.86 2jrs s ILE 53 Cb -0.05 -3.61 -0.13 0.00 -1.06 0.00 0.00 42.46 37.62 2jrs s ILE 53 CO -0.08 0.38 0.51 -0.33 -0.10 0.00 0.00 174.94 175.32 2jrs h GLU 54 N 6.80 -0.08 -2.96 2.79 5.08 -0.82 -3.47 114.58 121.92 2jrs h GLU 54 Ca -0.40 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 2jrs h GLU 54 Cb 1.16 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.24 2jrs h GLU 54 CO 0.75 0.35 -0.22 -1.54 -1.00 0.00 0.00 179.01 177.35 2jrs s SER 55 N -5.70 -0.23 -0.13 1.42 1.04 -1.23 -5.05 113.70 103.83 2jrs s SER 55 Ca -0.10 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.48 2jrs s SER 55 Cb -0.01 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2jrs s SER 55 CO 0.36 -0.48 -0.22 -0.63 0.98 0.00 0.00 173.24 173.24 2jrs s ILE 56 N -1.45 2.10 -0.29 -1.02 1.01 -1.26 -1.10 121.20 119.18 2jrs s ILE 56 Ca -0.12 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2jrs s ILE 56 Cb -0.04 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2jrs s ILE 56 CO 0.04 0.55 0.17 -1.58 0.00 0.00 0.00 174.94 174.12 2jrs s GLN 57 N 0.63 3.71 -0.17 2.79 2.00 0.19 -4.99 119.66 123.82 2jrs s GLN 57 Ca -0.12 -0.48 -0.11 0.00 -2.00 0.00 0.00 55.36 52.66 2jrs s GLN 57 Cb -0.16 -3.61 -0.05 0.00 0.80 0.00 0.00 33.01 29.98 2jrs s GLN 57 CO 0.02 -0.27 0.20 -1.17 -0.50 0.00 0.00 175.29 173.57 2jrs s LEU 58 N 1.70 4.25 -0.81 3.68 1.98 -1.26 0.50 118.68 128.72 2jrs s LEU 58 Ca 0.06 0.38 -0.19 0.00 -2.89 0.00 0.00 54.13 51.50 2jrs s LEU 58 Cb -0.16 -2.21 0.13 0.00 0.66 0.00 0.00 46.19 44.61 2jrs s LEU 58 CO 0.09 0.17 0.96 -0.32 -1.89 0.00 0.00 176.35 175.36 2jrs s MET 59 N 0.24 3.42 0.22 1.98 -2.45 0.64 -4.98 119.30 118.37 2jrs s MET 59 Ca 0.12 -1.65 0.02 0.00 -1.25 0.00 0.00 55.69 52.94 2jrs s MET 59 Cb -0.12 -4.61 -0.05 0.00 1.25 0.00 0.00 34.83 31.30 2jrs s MET 59 CO 0.01 -1.66 0.02 0.00 1.05 0.00 0.00 175.02 174.45 2jrs s MET 60 N 2.49 1.29 -0.48 4.11 0.23 -1.26 -1.16 119.30 124.52 2jrs s MET 60 Ca 0.25 -1.66 -0.16 0.00 -1.03 0.00 0.00 55.69 53.09 2jrs s MET 60 Cb -0.11 -0.44 0.08 0.00 -1.53 0.00 0.00 34.83 32.83 2jrs s MET 60 CO -0.03 -0.15 0.41 0.34 -2.03 0.00 0.00 175.02 173.56 2jrs s ASP 61 N -3.27 6.15 0.00 -1.18 -1.08 0.63 -4.85 116.67 113.07 2jrs s ASP 61 Ca 0.29 -1.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.14 2jrs s ASP 61 Cb 0.06 -2.19 0.90 0.00 -1.46 0.00 0.00 42.92 40.23 2jrs s ASP 61 CO 0.08 -0.67 1.58 -1.54 0.52 0.00 0.00 175.17 175.15 2jrs n SER 62 N 5.25 0.14 -0.11 -0.34 3.41 -1.26 -1.42 113.62 119.29 2jrs n SER 62 Ca -0.12 -1.54 -0.17 0.00 -0.26 0.00 0.00 58.87 56.78 2jrs n SER 62 Cb 0.43 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2jrs n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jrs n GLU 63 N -0.65 0.54 0.10 4.33 -0.58 -1.26 -4.63 120.64 118.49 2jrs n GLU 63 Ca 0.12 0.34 0.08 0.00 -0.42 0.00 0.00 57.16 57.27 2jrs n GLU 63 Cb 0.07 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2jrs n GLU 63 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2jrs h THR 64 N -1.00 0.22 -1.13 2.62 1.35 -2.01 -3.48 112.91 109.47 2jrs h THR 64 Ca -0.29 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2jrs h THR 64 Cb 1.17 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2jrs h THR 64 CO -0.18 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 2jrs n GLY 65 N 1.23 0.63 3.58 5.82 0.00 -0.51 -5.10 105.19 110.84 2jrs n GLY 65 Ca -0.02 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.74 2.04 -0.01 1.61 0.52 -1.01 -4.99 118.95 114.37 2jrs s ARG 66 Ca 0.00 -2.28 0.06 0.00 -0.52 0.00 0.00 55.73 53.00 2jrs s ARG 66 Cb 0.00 -0.77 -0.02 0.00 0.52 0.00 0.00 34.95 34.68 2jrs s ARG 66 CO 0.00 -0.50 -0.20 -1.12 0.02 0.00 0.00 175.30 173.50 2jrs s SER 67 N -3.69 2.34 0.02 0.23 0.01 -1.26 -0.27 113.70 111.07 2jrs s SER 67 Ca 0.18 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.15 2jrs s SER 67 Cb 0.01 -0.26 -0.23 0.00 0.21 0.00 0.00 66.02 65.75 2jrs s SER 67 CO 0.12 0.24 0.91 0.11 0.41 0.00 0.00 173.24 175.03 2jrs h LYS 68 N 5.63 0.05 0.00 12.44 1.79 -1.47 -3.46 116.57 131.56 2jrs h LYS 68 Ca -0.39 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2jrs h LYS 68 Cb 1.14 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2jrs h LYS 68 CO 0.48 0.80 0.00 0.41 -1.08 0.00 0.00 179.45 180.06 2jrs n GLY 69 N 1.51 1.06 3.44 3.86 0.00 -1.20 -4.97 105.19 108.90 2jrs n GLY 69 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2jrs n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jrs s TYR 70 N -2.00 2.14 -0.15 1.61 2.02 -1.26 -1.01 117.35 118.70 2jrs s TYR 70 Ca 0.00 -0.42 -0.09 0.00 -0.37 0.00 0.00 57.07 56.20 2jrs s TYR 70 Cb 0.00 -0.97 0.05 0.00 -0.40 0.00 0.00 41.96 40.64 2jrs s TYR 70 CO 0.00 0.60 0.37 0.20 -1.57 0.00 0.00 175.55 175.15 2jrs s GLY 71 N -3.47 -0.28 -0.45 0.71 0.00 0.98 -0.26 107.32 104.55 2jrs s GLY 71 Ca 0.28 1.39 -0.16 0.00 0.00 0.00 0.00 44.72 46.23 2jrs s GLY 71 CO 0.13 1.55 0.40 -1.36 0.00 0.00 0.00 173.10 173.82 2jrs s PHE 72 N 1.31 3.21 -0.21 1.90 0.40 0.18 -0.73 117.98 124.04 2jrs s PHE 72 Ca -0.09 -0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 55.41 2jrs s PHE 72 Cb -0.09 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.39 2jrs s PHE 72 CO -0.11 -0.75 0.16 0.42 0.70 0.00 0.00 175.22 175.64 2jrs s ILE 73 N 1.82 5.37 -0.24 0.64 1.01 -0.36 -0.64 121.20 128.80 2jrs s ILE 73 Ca 0.06 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 2jrs s ILE 73 Cb -0.21 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2jrs s ILE 73 CO 0.09 0.39 0.11 -0.89 0.00 0.00 0.00 174.94 174.64 2jrs s THR 74 N 0.67 4.80 0.10 2.92 2.01 -0.26 -0.31 115.64 125.57 2jrs s THR 74 Ca 0.09 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2jrs s THR 74 Cb -0.12 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2jrs s THR 74 CO 0.01 0.34 0.26 -0.36 -0.69 0.00 0.00 174.62 174.18 2jrs s PHE 75 N 1.31 3.50 -1.43 4.92 0.40 0.06 -0.12 117.98 126.62 2jrs s PHE 75 Ca 0.06 0.26 0.26 0.00 -0.60 0.00 0.00 56.93 56.90 2jrs s PHE 75 Cb -0.15 -1.77 1.29 0.00 0.51 0.00 0.00 43.02 42.91 2jrs s PHE 75 CO 0.05 0.54 1.86 0.45 0.70 0.00 0.00 175.22 178.82 2jrs n SER 76 N 0.01 0.00 -3.90 1.36 2.88 -0.62 -2.02 113.62 111.33 2jrs n SER 76 Ca -0.05 -0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 2jrs n SER 76 Cb 0.52 -0.28 -0.11 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.57 0.07 0.07 -3.46 2.15 -1.22 -3.37 116.67 108.34 2jrs s ASP 77 Ca 0.24 -0.21 -0.16 0.00 0.43 0.00 0.00 52.55 52.85 2jrs s ASP 77 Cb 0.17 0.17 -0.15 0.00 -0.30 0.00 0.00 42.92 42.81 2jrs s ASP 77 CO 0.39 -0.27 1.30 0.77 -0.17 0.00 0.00 175.17 177.19 2jrs h SER 78 N 4.81 0.71 -0.26 -0.34 4.64 -1.69 -3.14 113.55 118.28 2jrs h SER 78 Ca -0.30 -0.59 -0.14 0.00 -0.47 0.00 0.00 61.79 60.30 2jrs h SER 78 Cb 1.20 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2jrs h SER 78 CO 0.42 1.17 -0.34 -0.33 -0.87 0.00 0.00 176.83 176.88 2jrs h GLU 79 N 0.29 0.79 -0.58 4.77 5.08 -1.98 -0.78 114.58 122.17 2jrs h GLU 79 Ca -0.01 -0.38 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 2jrs h GLU 79 Cb 1.09 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 2jrs h GLU 79 CO 0.10 1.01 0.26 0.00 -1.00 0.00 0.00 179.01 179.38 2jrs h ALA 81 N 1.36 0.63 -0.59 0.00 0.00 -1.45 -2.17 119.26 117.03 2jrs h ALA 81 Ca 0.28 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jrs h ALA 81 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jrs h ALA 81 CO -0.24 0.58 0.35 -0.22 0.00 0.00 0.00 179.25 179.73 2jrs h LYS 82 N 0.75 0.67 -0.04 0.00 3.64 -0.64 -0.99 116.57 119.96 2jrs h LYS 82 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2jrs h LYS 82 Cb 0.75 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2jrs h LYS 82 CO 0.06 0.44 0.01 -0.22 -2.27 0.00 0.00 179.45 177.47 2jrs h LYS 83 N 0.69 0.06 -0.47 1.90 3.64 -0.95 -0.93 116.57 120.52 2jrs h LYS 83 Ca 0.24 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2jrs h LYS 83 Cb 0.05 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 2jrs h LYS 83 CO -0.12 0.30 0.11 0.00 -2.27 0.00 0.00 179.45 177.47 2jrs h ALA 84 N 0.76 0.53 -0.06 5.00 0.00 -1.20 -1.68 119.26 122.60 2jrs h ALA 84 Ca 0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2jrs h ALA 84 Cb 0.27 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jrs h ALA 84 CO 0.00 -0.30 -0.06 1.25 0.00 0.00 0.00 179.25 180.14 2jrs h LEU 85 N 0.25 -0.20 -1.49 0.00 6.46 -1.15 0.70 115.31 119.87 2jrs h LEU 85 Ca 0.23 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.18 2jrs h LEU 85 Cb 0.29 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 2jrs h LEU 85 CO -0.29 -0.09 0.53 -0.08 -0.62 0.00 0.00 178.44 177.89 2jrs h GLU 86 N -0.08 0.47 0.06 1.25 4.22 -0.28 -0.14 114.58 120.08 2jrs h GLU 86 Ca 0.05 -0.03 -0.36 0.00 0.08 0.00 0.00 59.36 59.10 2jrs h GLU 86 Cb 0.15 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2jrs h GLU 86 CO -0.11 0.31 -2.02 1.04 -2.18 0.00 0.00 179.01 176.05 2jrs n GLN 87 N -4.50 0.68 0.10 1.92 6.02 -0.79 -4.58 117.38 116.22 2jrs n GLN 87 Ca 0.16 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.56 2jrs n GLN 87 Cb 0.53 -1.65 0.12 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.25 0.00 -8.76 1.08 3.38 -0.62 -3.41 115.31 106.72 2jrs h LEU 88 Ca -0.47 -0.11 -0.56 0.00 0.09 0.00 0.00 57.88 56.83 2jrs h LEU 88 Cb 1.83 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 2jrs h LEU 88 CO -0.06 0.05 1.21 0.21 0.09 0.00 0.00 178.44 179.95 2jrs s ASN 89 N -4.85 5.95 0.00 -0.43 2.47 -0.08 -1.34 114.94 116.65 2jrs s ASN 89 Ca 0.04 0.93 0.00 0.00 0.42 0.00 0.00 52.86 54.25 2jrs s ASN 89 Cb 0.11 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 2jrs s ASN 89 CO 0.73 -1.73 0.00 0.61 -3.72 0.00 0.00 177.10 172.99 2jrs n GLY 90 N 5.35 1.50 3.74 1.21 0.00 0.39 -4.93 105.19 112.45 2jrs n GLY 90 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.23 3.03 -0.80 1.61 5.36 -0.45 -4.27 117.98 120.23 2jrs s PHE 91 Ca 0.00 1.05 -0.25 0.00 -0.96 0.00 0.00 56.93 56.77 2jrs s PHE 91 Cb 0.00 -3.80 -0.01 0.00 -0.34 0.00 0.00 43.02 38.87 2jrs s PHE 91 CO 0.00 -2.59 1.70 -1.83 -1.46 0.00 0.00 175.22 171.04 2jrs s GLU 92 N -0.39 2.90 0.00 10.12 -1.05 -1.26 0.26 118.70 129.28 2jrs s GLU 92 Ca 0.59 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 2jrs s GLU 92 Cb -0.41 -4.74 0.00 0.00 -0.44 0.00 0.00 34.13 28.53 2jrs s GLU 92 CO 0.43 -2.72 0.40 -0.11 0.95 0.00 0.00 175.26 174.22 2jrs n LEU 93 N 11.73 0.80 -2.55 1.83 7.94 0.12 -4.30 117.00 132.57 2jrs n LEU 93 Ca 0.26 0.45 -0.33 0.00 -1.11 0.00 0.00 56.01 55.28 2jrs n LEU 93 Cb 0.50 -0.14 0.04 0.00 0.53 0.00 0.00 43.42 44.34 2jrs n LEU 93 CO 0.67 -0.14 0.98 0.00 -1.11 0.00 0.00 177.39 177.79 2jrs n ALA 94 N -0.92 5.89 -0.80 1.96 0.00 -1.26 -4.75 120.51 120.63 2jrs n ALA 94 Ca 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.45 2jrs n ALA 94 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.63 0.80 3.12 0.00 0.00 -1.26 -5.04 105.19 102.17 2jrs n GLY 95 Ca 0.51 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.20 1.21 0.26 1.61 0.52 -1.26 -5.04 118.95 116.04 2jrs s ARG 96 Ca 0.00 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 54.38 2jrs s ARG 96 Cb 0.00 -1.16 -0.13 0.00 0.52 0.00 0.00 34.95 34.18 2jrs s ARG 96 CO 0.00 0.31 1.52 -0.35 0.02 0.00 0.00 175.30 176.79 2jrs n PRO 97 N 2.75 2.38 -3.54 3.54 -0.04 -1.26 -0.70 135.00 138.13 2jrs n PRO 97 Ca -0.15 0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 63.78 2jrs n PRO 97 Cb 0.55 -2.58 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 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 -0.30 4.02 -0.65 0.54 1.75 0.14 -4.81 119.30 119.98 2jrs s MET 98 Ca 0.67 -0.17 -0.23 0.00 -1.25 0.00 0.00 55.69 54.71 2jrs s MET 98 Cb -0.57 -3.62 0.07 0.00 2.84 0.00 0.00 34.83 33.54 2jrs s MET 98 CO 0.48 -0.13 0.97 0.15 -0.65 0.00 0.00 175.02 175.84 2jrs s LYS 99 N 1.62 3.13 -0.40 4.11 -0.14 -1.23 -0.46 119.74 126.36 2jrs s LYS 99 Ca 0.10 -0.76 -0.04 0.00 -1.36 0.00 0.00 55.97 53.91 2jrs s LYS 99 Cb -0.15 -4.21 0.10 0.00 -1.68 0.00 0.00 37.83 31.89 2jrs s LYS 99 CO 0.09 -1.80 0.20 0.08 -0.76 0.00 0.00 175.35 173.16 2jrs s VAL 100 N 4.12 3.49 -0.03 3.17 1.01 -1.25 -1.00 120.40 129.91 2jrs s VAL 100 Ca 0.23 -1.83 0.07 0.00 0.00 0.00 0.00 61.98 60.46 2jrs s VAL 100 Cb -0.16 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2jrs s VAL 100 CO 0.11 -0.59 -0.26 -0.83 0.00 0.00 0.00 175.10 173.54 2jrs s GLY 101 N 1.88 1.27 -0.41 4.51 0.00 -0.15 -4.69 107.32 109.71 2jrs s GLY 101 Ca 0.05 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 2jrs s GLY 101 CO -0.02 -0.85 2.92 -2.39 0.00 0.00 0.00 173.10 172.75 2jrs n HIS 102 N 2.57 0.61 -3.43 1.90 1.44 -1.26 -0.02 115.22 117.04 2jrs n HIS 102 Ca -0.16 -1.66 -0.28 0.00 -2.01 0.00 0.00 57.72 53.61 2jrs n HIS 102 Cb 0.51 -1.62 0.02 0.00 0.12 0.00 0.00 29.99 29.03 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 2.98 -5.49 -2.14 0.61 0.31 -1.26 -4.89 118.33 108.45 2jrs n VAL 103 Ca 0.44 0.18 -0.36 0.00 -0.01 0.00 0.00 64.34 64.60 2jrs n VAL 103 Cb 0.58 -4.31 0.01 0.00 -0.91 0.00 0.00 33.84 29.21 2jrs n VAL 103 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2jrs s THR 104 N -2.09 2.89 0.42 2.52 -4.23 -1.26 -4.90 115.64 108.98 2jrs s THR 104 Ca 0.26 0.58 0.14 0.00 -1.18 0.00 0.00 61.69 61.49 2jrs s THR 104 Cb -0.03 -3.25 0.35 0.00 1.34 0.00 0.00 72.50 70.90 2jrs s THR 104 CO 0.85 -0.10 1.92 1.05 -0.54 0.00 0.00 174.62 177.81 2jrs h GLU 105 N 1.23 0.45 0.00 3.99 9.09 -2.03 0.56 114.58 127.87 2jrs h GLU 105 Ca -0.50 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.88 2jrs h GLU 105 Cb 1.28 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2jrs h GLU 105 CO 0.57 0.30 -0.56 0.00 0.05 0.00 0.00 179.01 179.37 2jrs h ARG 106 N 0.47 0.00 0.00 1.06 2.47 -2.02 -3.47 114.38 112.88 2jrs h ARG 106 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2jrs h ARG 106 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2jrs h ARG 106 CO -0.12 0.00 0.00 2.41 0.56 0.00 0.00 179.97 182.82 2jrs n THR 107 N -2.30 0.00 -0.72 2.04 -1.04 0.19 -5.25 114.28 107.19 2jrs n THR 107 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2jrs n THR 107 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2jrs n THR 107 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90