#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 -0.21 1.22 3.03 0.00 -1.26 -4.73 105.19 103.25 2jrs n GLY 2 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.31 -3.28 -2.70 1.61 -0.00 -1.26 -4.90 115.22 100.38 2jrs n HIS 3 Ca -0.04 1.80 0.01 0.00 -0.00 0.00 0.00 57.72 59.49 2jrs n HIS 3 Cb 0.57 -2.98 0.04 0.00 -0.00 0.00 0.00 29.99 27.62 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 -4.00 0.67 -1.56 4.41 1.44 -1.26 -5.02 115.22 109.90 2jrs n HIS 4 Ca -0.07 -1.54 -0.41 0.00 -2.01 0.00 0.00 57.72 53.68 2jrs n HIS 4 Cb 0.58 -0.11 -0.03 0.00 0.12 0.00 0.00 29.99 30.55 2jrs n HIS 4 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jrs n HIS 5 N -0.26 2.75 -1.85 -1.40 -0.00 -1.26 -4.29 115.22 108.91 2jrs n HIS 5 Ca 0.05 -2.24 0.04 0.00 -0.00 0.00 0.00 57.72 55.56 2jrs n HIS 5 Cb 0.92 -2.16 0.06 0.00 -0.00 0.00 0.00 29.99 28.80 2jrs n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jrs n HIS 6 N 7.87 0.00 -1.81 1.57 8.25 -1.26 -5.12 115.22 124.71 2jrs n HIS 6 Ca 0.50 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jrs n HIS 6 Cb 0.41 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2jrs n HIS 6 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jrs n HIS 7 N -0.34 -3.77 -3.16 4.41 1.44 -1.26 -5.11 115.22 107.44 2jrs n HIS 7 Ca 0.07 1.96 -0.01 0.00 -2.01 0.00 0.00 57.72 57.73 2jrs n HIS 7 Cb 0.77 -2.97 0.00 0.00 0.12 0.00 0.00 29.99 27.92 2jrs n HIS 7 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2jrs n HIS 8 N 0.40 -1.05 -1.61 -1.40 1.44 -1.26 -5.12 115.22 106.63 2jrs n HIS 8 Ca 0.00 -0.20 -0.51 0.00 -2.01 0.00 0.00 57.72 55.00 2jrs n HIS 8 Cb 0.00 0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 2jrs n HIS 8 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2jrs n SER 9 N -1.21 2.75 -4.86 4.39 7.64 -1.26 -4.98 113.62 116.10 2jrs n SER 9 Ca -0.01 0.78 -0.21 0.00 1.01 0.00 0.00 58.87 60.44 2jrs n SER 9 Cb 0.06 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 61.94 2jrs n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jrs s HIS 10 N 5.23 3.02 0.00 1.43 4.02 -1.26 -4.59 115.29 123.15 2jrs s HIS 10 Ca 1.00 -0.21 0.00 0.00 1.02 0.00 0.00 55.06 56.87 2jrs s HIS 10 Cb -0.82 -1.65 0.00 0.00 -1.02 0.00 0.00 32.58 29.09 2jrs s HIS 10 CO 0.54 0.31 0.00 -1.33 1.02 0.00 0.00 174.74 175.28 2jrs n MET 11 N -1.32 -0.15 -2.78 1.40 0.00 -1.26 -4.95 117.12 108.05 2jrs n MET 11 Ca -0.04 0.04 -0.42 0.00 0.00 0.00 0.00 57.70 57.27 2jrs n MET 11 Cb 0.59 -3.73 -0.03 0.00 0.00 0.00 0.00 33.22 30.04 2jrs n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jrs s ALA 12 N -2.14 3.51 0.19 3.04 0.00 -1.26 -4.75 121.76 120.35 2jrs s ALA 12 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2jrs s ALA 12 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2jrs s ALA 12 CO 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 175.76 174.40 2jrs n ALA 13 N 6.55 -2.34 -1.82 0.00 0.00 -1.26 -5.04 120.51 116.61 2jrs n ALA 13 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2jrs n ALA 13 Cb 0.48 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.85 1.67 -2.06 0.00 0.00 -1.26 -5.12 120.51 114.59 2jrs n ALA 14 Ca 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 2jrs n ALA 14 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 2jrs n ALA 14 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jrs s MET 15 N 0.00 4.73 -0.45 0.00 -1.94 -1.26 -4.38 119.30 116.00 2jrs s MET 15 Ca 0.00 1.41 -0.13 0.00 -1.71 0.00 0.00 55.69 55.26 2jrs s MET 15 Cb 0.00 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.53 2jrs s MET 15 CO 0.00 0.36 0.58 0.00 -0.01 0.00 0.00 175.02 175.95 2jrs n ALA 16 N 2.21 -2.93 -2.38 3.03 0.00 -1.26 -4.88 120.51 114.29 2jrs n ALA 16 Ca -0.00 0.95 -0.43 0.00 0.00 0.00 0.00 53.44 53.96 2jrs n ALA 16 Cb 0.48 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 -0.53 4.76 -1.74 0.00 4.13 -1.26 -4.82 115.26 115.80 2jrs n ASN 17 Ca 0.10 -2.96 -0.06 0.00 1.68 0.00 0.00 54.58 53.34 2jrs n ASN 17 Cb 0.44 -1.62 -0.08 0.00 -1.54 0.00 0.00 39.78 36.98 2jrs n ASN 17 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jrs n ASN 18 N 6.10 5.26 0.17 6.41 4.13 -1.26 -4.29 115.26 131.77 2jrs n ASN 18 Ca 0.45 -2.43 0.13 0.00 1.68 0.00 0.00 54.58 54.40 2jrs n ASN 18 Cb 0.41 -1.26 0.33 0.00 -1.54 0.00 0.00 39.78 37.72 2jrs n ASN 18 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 2jrs h LEU 19 N 3.95 0.00 -8.16 3.41 8.10 -2.02 -3.41 115.31 117.18 2jrs h LEU 19 Ca 0.09 0.00 -0.70 0.00 0.11 0.00 0.00 57.88 57.38 2jrs h LEU 19 Cb 1.24 0.00 -0.19 0.00 -0.44 0.00 0.00 40.66 41.26 2jrs h LEU 19 CO 0.11 0.00 0.17 0.00 -4.11 0.00 0.00 178.44 174.61 2jrs s GLN 20 N -3.19 3.07 0.10 0.17 -2.07 -1.26 -4.90 119.66 111.58 2jrs s GLN 20 Ca 0.08 -1.32 -0.16 0.00 -1.82 0.00 0.00 55.36 52.14 2jrs s GLN 20 Cb 0.09 -4.29 -0.06 0.00 -1.09 0.00 0.00 33.01 27.66 2jrs s GLN 20 CO 0.61 -1.57 1.51 0.87 -1.32 0.00 0.00 175.29 175.39 2jrs h LYS 21 N 9.18 0.60 -2.28 9.60 1.57 -1.98 -3.46 116.57 129.80 2jrs h LYS 21 Ca -0.27 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 2jrs h LYS 21 Cb 1.08 -0.04 -0.21 0.00 0.08 0.00 0.00 32.23 33.15 2jrs h LYS 21 CO 1.10 0.77 0.02 0.20 -0.57 0.00 0.00 179.45 180.98 2jrs s GLY 22 N -3.34 -0.46 0.49 3.86 0.00 -1.26 -5.03 107.32 101.59 2jrs s GLY 22 Ca -0.13 1.47 0.32 0.00 0.00 0.00 0.00 44.72 46.38 2jrs s GLY 22 CO 0.78 1.20 1.96 1.48 0.00 0.00 0.00 173.10 178.53 2jrs h SER 23 N 4.46 0.00 -3.53 1.64 4.64 -2.02 -3.35 113.55 115.39 2jrs h SER 23 Ca -0.28 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.35 2jrs h SER 23 Cb 1.16 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.91 2jrs h SER 23 CO 0.22 0.00 -0.57 0.00 -0.87 0.00 0.00 176.83 175.61 2jrs s ALA 24 N -3.65 3.11 0.00 5.18 0.00 -1.26 -4.68 121.76 120.46 2jrs s ALA 24 Ca 0.01 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 49.54 2jrs s ALA 24 Cb 0.09 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2jrs s ALA 24 CO 0.48 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2jrs n GLY 25 N 4.59 0.85 3.55 0.00 0.00 -1.26 -4.86 105.19 108.06 2jrs n GLY 25 Ca -0.04 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2jrs n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jrs n PRO 26 N 0.00 1.06 -4.02 1.61 -0.02 -1.22 -1.63 135.00 130.77 2jrs n PRO 26 Ca 0.00 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.22 2jrs n PRO 26 Cb 0.00 -3.20 -0.06 0.00 -0.02 0.00 0.00 33.50 30.22 2jrs n PRO 26 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2jrs s MET 27 N 8.02 3.20 -0.15 -0.52 1.75 -0.63 -4.90 119.30 126.08 2jrs s MET 27 Ca 1.03 -0.43 -0.00 0.00 -1.25 0.00 0.00 55.69 55.04 2jrs s MET 27 Cb -0.33 -2.95 -0.01 0.00 2.84 0.00 0.00 34.83 34.38 2jrs s MET 27 CO 0.30 0.66 -0.13 0.50 -0.65 0.00 0.00 175.02 175.70 2jrs s ARG 28 N -1.82 3.34 0.07 4.11 3.52 -1.26 -0.71 118.95 126.20 2jrs s ARG 28 Ca 0.25 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 2jrs s ARG 28 Cb -0.12 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2jrs s ARG 28 CO 0.16 0.11 0.11 -0.51 -0.81 0.00 0.00 175.30 174.36 2jrs s LEU 29 N 0.61 3.92 -0.39 -0.88 1.43 0.54 -3.51 118.68 120.40 2jrs s LEU 29 Ca -0.07 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2jrs s LEU 29 Cb -0.16 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.52 2jrs s LEU 29 CO 0.03 0.17 0.23 -0.47 0.23 0.00 0.00 176.35 176.55 2jrs s TYR 30 N -1.41 3.25 -0.35 0.29 5.04 0.13 -1.65 117.35 122.64 2jrs s TYR 30 Ca 0.30 -0.90 -0.05 0.00 -2.44 0.00 0.00 57.07 53.98 2jrs s TYR 30 Cb -0.12 -2.49 0.06 0.00 0.35 0.00 0.00 41.96 39.75 2jrs s TYR 30 CO 0.23 -0.64 0.11 0.08 -1.34 0.00 0.00 175.55 173.98 2jrs s VAL 31 N 1.58 3.58 -0.53 3.14 1.01 -0.34 -0.94 120.40 127.89 2jrs s VAL 31 Ca 0.03 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.71 2jrs s VAL 31 Cb -0.19 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 33.22 2jrs s VAL 31 CO 0.07 -0.26 0.29 -0.83 0.00 0.00 0.00 175.10 174.37 2jrs s GLY 32 N 1.50 2.38 0.00 4.51 0.00 -0.63 -0.79 107.32 114.29 2jrs s GLY 32 Ca -0.01 -3.24 0.00 0.00 0.00 0.00 0.00 44.72 41.48 2jrs s GLY 32 CO 0.01 1.12 0.58 1.44 0.00 0.00 0.00 173.10 176.25 2jrs n SER 33 N 3.02 -0.39 -4.81 1.64 7.64 -1.14 -4.30 113.62 115.28 2jrs n SER 33 Ca 0.08 -1.17 -0.37 0.00 1.01 0.00 0.00 58.87 58.43 2jrs n SER 33 Cb 0.33 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 2jrs n SER 33 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jrs s LEU 34 N 0.00 4.37 -0.65 -3.43 1.43 -0.52 -4.97 118.68 114.91 2jrs s LEU 34 Ca 0.00 1.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2jrs s LEU 34 Cb 0.00 -3.57 0.39 0.00 0.03 0.00 0.00 46.19 43.04 2jrs s LEU 34 CO 0.00 0.05 1.63 0.00 0.23 0.00 0.00 176.35 178.26 2jrs n HIS 35 N 0.82 3.15 -0.96 0.29 1.44 -1.26 -4.70 115.22 114.00 2jrs n HIS 35 Ca -0.03 -2.67 0.00 0.00 -2.01 0.00 0.00 57.72 53.01 2jrs n HIS 35 Cb 0.51 -0.74 0.00 0.00 0.12 0.00 0.00 29.99 29.88 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 -0.56 0.00 -2.71 -1.40 7.35 -1.26 -4.74 117.46 114.15 2jrs n PHE 36 Ca 0.48 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 57.18 2jrs n PHE 36 Cb 0.47 -1.81 0.04 0.00 0.35 0.00 0.00 39.48 38.54 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 -0.85 1.06 -3.92 -2.13 4.05 -1.26 -4.96 115.26 107.25 2jrs n ASN 37 Ca 0.00 -2.03 -0.30 0.00 0.45 0.00 0.00 54.58 52.70 2jrs n ASN 37 Cb 0.42 -0.30 -0.15 0.00 1.23 0.00 0.00 39.78 40.98 2jrs n ASN 37 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2jrs s ILE 38 N -2.34 1.55 0.66 -1.44 -1.09 -1.26 -5.10 121.20 112.17 2jrs s ILE 38 Ca 0.26 -1.44 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 2jrs s ILE 38 Cb 0.34 -1.93 0.10 0.00 -1.58 0.00 0.00 42.46 39.39 2jrs s ILE 38 CO -0.08 -0.28 0.91 0.42 -1.23 0.00 0.00 174.94 174.67 2jrs s THR 39 N 1.35 2.29 0.39 2.92 -4.23 -1.26 -4.94 115.64 112.16 2jrs s THR 39 Ca -0.00 -0.66 0.13 0.00 -1.18 0.00 0.00 61.69 59.98 2jrs s THR 39 Cb -0.19 -2.62 0.35 0.00 1.34 0.00 0.00 72.50 71.38 2jrs s THR 39 CO -0.10 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 175.52 2jrs h GLU 40 N -0.27 0.52 -0.00 3.99 3.07 -1.99 -2.43 114.58 117.46 2jrs h GLU 40 Ca -0.37 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.48 2jrs h GLU 40 Cb 1.28 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 2jrs h GLU 40 CO 0.44 0.35 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.81 2jrs h ASP 41 N 0.54 -0.41 -0.14 1.42 5.19 -1.99 0.17 116.42 121.20 2jrs h ASP 41 Ca 0.45 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.91 2jrs h ASP 41 Cb 0.93 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2jrs h ASP 41 CO -0.19 -0.20 0.02 -0.03 -3.12 0.00 0.00 179.24 175.72 2jrs h MET 42 N -0.24 0.24 -0.67 3.56 4.05 -1.83 -1.12 114.93 118.92 2jrs h MET 42 Ca 0.05 -0.07 0.07 0.00 -0.28 0.00 0.00 59.70 59.47 2jrs h MET 42 Cb 0.30 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 2jrs h MET 42 CO -0.14 0.43 0.36 -0.07 0.23 0.00 0.00 176.91 177.72 2jrs h LEU 43 N 0.01 0.51 -0.37 3.39 3.38 -1.36 -2.33 115.31 118.54 2jrs h LEU 43 Ca 0.04 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jrs h LEU 43 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jrs h LEU 43 CO 0.00 0.32 0.06 -0.09 0.09 0.00 0.00 178.44 178.83 2jrs h ARG 44 N 0.65 0.60 -0.35 1.13 2.43 -0.48 0.24 114.38 118.60 2jrs h ARG 44 Ca 0.31 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2jrs h ARG 44 Cb 0.24 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2jrs h ARG 44 CO -0.21 0.67 0.24 0.78 -1.51 0.00 0.00 179.97 179.94 2jrs h GLY 45 N 0.45 0.28 0.44 2.80 0.00 -0.82 0.40 103.07 106.62 2jrs h GLY 45 Ca 0.11 -0.09 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 2jrs h GLY 45 CO 0.01 0.07 -1.27 -2.22 0.00 0.00 0.00 176.54 173.12 2jrs h ILE 46 N 0.23 1.08 0.12 2.60 2.04 -1.18 -3.42 117.51 118.98 2jrs h ILE 46 Ca 0.16 -2.37 -0.27 0.00 1.00 0.00 0.00 64.86 63.38 2jrs h ILE 46 Cb 0.33 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2jrs h ILE 46 CO -0.03 0.65 -1.34 -0.26 0.00 0.00 0.00 178.15 177.16 2jrs h PHE 47 N -0.45 0.47 -0.54 1.37 -1.00 -0.78 -3.39 116.94 112.62 2jrs h PHE 47 Ca -0.28 -0.34 0.02 0.00 2.81 0.00 0.00 57.97 60.17 2jrs h PHE 47 Cb 1.64 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 41.15 2jrs h PHE 47 CO 0.13 1.52 0.36 1.49 -1.61 0.00 0.00 178.31 180.20 2jrs h GLU 48 N -0.30 0.66 -1.59 1.51 4.81 -1.11 -1.40 114.58 117.16 2jrs h GLU 48 Ca -0.28 -0.04 0.46 0.00 -0.13 0.00 0.00 59.36 59.37 2jrs h GLU 48 Cb 1.76 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.92 2jrs h GLU 48 CO 0.08 0.44 1.20 -1.35 -0.73 0.00 0.00 179.01 178.64 2jrs h PRO 49 N 0.68 0.00 0.03 0.92 0.11 -1.76 0.38 132.00 132.36 2jrs h PRO 49 Ca 0.20 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.07 2jrs h PRO 49 Cb -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 2jrs h PRO 49 CO -0.05 0.00 -1.20 0.74 -0.21 0.00 0.00 178.00 177.28 2jrs h PHE 50 N 0.00 0.11 -1.21 0.65 -1.00 -1.52 -3.48 116.94 110.50 2jrs h PHE 50 Ca 0.76 -0.08 0.17 0.00 2.81 0.00 0.00 57.97 61.63 2jrs h PHE 50 Cb 3.15 -0.00 -0.31 0.00 3.61 0.00 0.00 35.95 42.39 2jrs h PHE 50 CO 0.00 1.07 0.70 0.20 -1.61 0.00 0.00 178.31 178.67 2jrs s GLY 51 N -4.79 0.35 -0.09 -1.45 0.00 0.13 -4.80 107.32 96.67 2jrs s GLY 51 Ca -0.02 3.49 -0.38 0.00 0.00 0.00 0.00 44.72 47.82 2jrs s GLY 51 CO 0.83 2.36 1.54 -2.13 0.00 0.00 0.00 173.10 175.71 2jrs n ARG 52 N 2.59 1.17 -3.51 2.90 3.00 -1.24 -4.34 116.66 117.23 2jrs n ARG 52 Ca -0.15 0.43 -0.37 0.00 -0.00 0.00 0.00 57.85 57.76 2jrs n ARG 52 Cb 0.57 -2.09 -0.06 0.00 0.00 0.00 0.00 32.46 30.87 2jrs n ARG 52 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jrs s ILE 53 N 2.00 5.21 -0.16 5.15 1.01 -1.26 -2.03 121.20 131.12 2jrs s ILE 53 Ca 0.91 0.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.02 2jrs s ILE 53 Cb -1.01 -3.67 -0.20 0.00 0.01 0.00 0.00 42.46 37.59 2jrs s ILE 53 CO 0.56 0.45 0.47 -0.33 0.00 0.00 0.00 174.94 176.09 2jrs h GLU 54 N 5.94 0.00 -2.75 2.79 4.39 -1.33 -3.47 114.58 120.15 2jrs h GLU 54 Ca -0.45 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.11 2jrs h GLU 54 Cb 1.19 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.58 2jrs h GLU 54 CO 0.70 0.87 -0.32 -1.12 -1.16 0.00 0.00 179.01 177.98 2jrs s SER 55 N -6.36 -0.44 -0.37 1.42 0.01 -1.18 -5.05 113.70 101.74 2jrs s SER 55 Ca -0.21 0.80 -0.07 0.00 1.31 0.00 0.00 55.95 57.78 2jrs s SER 55 Cb 0.01 0.72 0.06 0.00 0.21 0.00 0.00 66.02 67.01 2jrs s SER 55 CO 0.57 -0.17 0.16 -0.63 0.41 0.00 0.00 173.24 173.59 2jrs s ILE 56 N 1.03 3.90 -0.29 1.44 1.01 -1.26 -1.16 121.20 125.87 2jrs s ILE 56 Ca -0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 60.65 59.20 2jrs s ILE 56 Cb -0.07 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2jrs s ILE 56 CO -0.08 -0.32 0.16 -1.58 0.00 0.00 0.00 174.94 173.12 2jrs s GLN 57 N 1.39 3.71 -0.10 2.79 0.74 0.11 -4.94 119.66 123.36 2jrs s GLN 57 Ca 0.01 -0.47 -0.09 0.00 0.05 0.00 0.00 55.36 54.86 2jrs s GLN 57 Cb -0.21 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 2jrs s GLN 57 CO 0.02 -0.26 0.20 -0.51 -0.55 0.00 0.00 175.29 174.19 2jrs s LEU 58 N 1.70 4.40 -0.62 3.68 1.02 -1.26 0.85 118.68 128.45 2jrs s LEU 58 Ca 0.06 0.58 -0.20 0.00 0.02 0.00 0.00 54.13 54.59 2jrs s LEU 58 Cb -0.16 -2.19 0.10 0.00 0.02 0.00 0.00 46.19 43.95 2jrs s LEU 58 CO 0.08 0.38 0.78 -0.32 0.02 0.00 0.00 176.35 177.29 2jrs s MET 59 N -0.99 3.08 0.66 1.70 1.75 -0.85 -4.95 119.30 119.70 2jrs s MET 59 Ca 0.17 -1.23 -0.07 0.00 -1.25 0.00 0.00 55.69 53.31 2jrs s MET 59 Cb -0.13 -4.27 0.14 0.00 2.84 0.00 0.00 34.83 33.41 2jrs s MET 59 CO 0.06 -1.61 0.90 -1.33 -0.65 0.00 0.00 175.02 172.38 2jrs n MET 60 N 6.64 -0.50 0.08 4.11 2.81 -1.26 -1.85 117.12 127.15 2jrs n MET 60 Ca -0.07 -1.81 0.13 0.00 -1.81 0.00 0.00 57.70 54.14 2jrs n MET 60 Cb 0.43 -0.79 0.46 0.00 -0.71 0.00 0.00 33.22 32.61 2jrs n MET 60 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jrs n ASP 61 N -3.31 0.60 -1.18 7.83 5.75 0.11 -4.62 116.55 121.73 2jrs n ASP 61 Ca 0.13 0.56 -0.15 0.00 -0.01 0.00 0.00 54.79 55.32 2jrs n ASP 61 Cb 0.45 -0.72 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 2jrs n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jrs n SER 62 N -2.07 -5.45 0.04 -1.12 3.41 -1.26 -4.76 113.62 102.41 2jrs n SER 62 Ca 0.06 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 59.03 2jrs n SER 62 Cb 0.40 -4.38 -0.00 0.00 -0.26 0.00 0.00 64.21 59.97 2jrs n SER 62 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2jrs n GLU 63 N -1.49 0.03 -0.04 4.33 2.13 -1.26 -4.93 120.64 119.42 2jrs n GLU 63 Ca -0.15 0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.65 2jrs n GLU 63 Cb 0.62 -0.50 -0.06 0.00 0.27 0.00 0.00 31.44 31.77 2jrs n GLU 63 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jrs n THR 64 N -3.44 0.48 0.00 6.31 -2.24 -1.26 -5.04 114.28 109.10 2jrs n THR 64 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2jrs n THR 64 Cb 0.03 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2jrs n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jrs n GLY 65 N 2.52 1.18 3.71 3.38 0.00 -1.26 -5.10 105.19 109.61 2jrs n GLY 65 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.02 2.53 -0.15 1.61 0.52 -1.26 -4.92 118.95 117.26 2jrs s ARG 66 Ca 0.00 -1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 53.78 2jrs s ARG 66 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 2jrs s ARG 66 CO 0.00 0.39 0.45 -1.12 0.02 0.00 0.00 175.30 175.03 2jrs s SER 67 N -3.66 6.60 0.40 0.23 0.01 -1.26 0.07 113.70 116.08 2jrs s SER 67 Ca 0.32 0.71 0.20 0.00 1.31 0.00 0.00 55.95 58.48 2jrs s SER 67 Cb -0.07 -2.27 0.78 0.00 0.21 0.00 0.00 66.02 64.67 2jrs s SER 67 CO 0.22 -0.03 1.78 0.11 0.41 0.00 0.00 173.24 175.73 2jrs h LYS 68 N 6.93 0.00 0.00 12.44 1.57 -1.62 -3.47 116.57 132.41 2jrs h LYS 68 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2jrs h LYS 68 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2jrs h LYS 68 CO 0.75 0.33 0.00 0.41 -0.57 0.00 0.00 179.45 180.37 2jrs n GLY 69 N 0.10 1.06 3.13 3.86 0.00 -1.26 -5.06 105.19 107.02 2jrs n GLY 69 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.60 0.70 0.02 1.61 -0.85 -1.26 -1.44 117.35 114.52 2jrs s TYR 70 Ca 0.00 -1.00 -0.04 0.00 -0.52 0.00 0.00 57.07 55.51 2jrs s TYR 70 Cb 0.00 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.88 2jrs s TYR 70 CO 0.00 -0.27 0.06 0.20 -1.52 0.00 0.00 175.55 174.02 2jrs s GLY 71 N -2.98 0.17 -0.31 5.49 0.00 0.03 -2.00 107.32 107.72 2jrs s GLY 71 Ca 0.09 -0.45 -0.09 0.00 0.00 0.00 0.00 44.72 44.27 2jrs s GLY 71 CO -0.08 -0.56 0.13 -1.36 0.00 0.00 0.00 173.10 171.24 2jrs s PHE 72 N -1.85 3.17 -0.19 1.90 0.08 0.25 -1.20 117.98 120.14 2jrs s PHE 72 Ca -0.12 -0.66 -0.07 0.00 0.12 0.00 0.00 56.93 56.21 2jrs s PHE 72 Cb -0.06 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2jrs s PHE 72 CO -0.01 -0.48 0.05 0.42 -0.10 0.00 0.00 175.22 175.10 2jrs s ILE 73 N 1.59 4.60 -0.23 0.64 1.01 -0.66 -0.71 121.20 127.44 2jrs s ILE 73 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 2jrs s ILE 73 Cb -0.17 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2jrs s ILE 73 CO 0.05 0.44 0.02 -0.89 0.00 0.00 0.00 174.94 174.57 2jrs s THR 74 N 0.57 3.98 0.12 2.92 2.01 -0.31 -0.34 115.64 124.59 2jrs s THR 74 Ca 0.02 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 2jrs s THR 74 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2jrs s THR 74 CO 0.01 0.39 0.29 -0.36 -0.69 0.00 0.00 174.62 174.26 2jrs s PHE 75 N 1.40 3.50 -0.65 4.92 0.40 0.12 -0.91 117.98 126.76 2jrs s PHE 75 Ca 0.05 0.31 0.20 0.00 -0.60 0.00 0.00 56.93 56.88 2jrs s PHE 75 Cb -0.15 -1.81 0.85 0.00 0.51 0.00 0.00 43.02 42.42 2jrs s PHE 75 CO 0.01 0.51 1.61 0.45 0.70 0.00 0.00 175.22 178.50 2jrs n SER 76 N -0.06 0.43 -4.14 1.36 2.88 -0.86 -1.60 113.62 111.63 2jrs n SER 76 Ca -0.05 0.61 -0.14 0.00 -1.33 0.00 0.00 58.87 57.96 2jrs n SER 76 Cb 0.52 -0.70 -0.11 0.00 -0.75 0.00 0.00 64.21 63.17 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 -3.80 1.31 -0.06 -3.46 -1.08 -1.24 -3.46 116.67 104.88 2jrs s ASP 77 Ca 0.05 -0.72 -0.24 0.00 -0.52 0.00 0.00 52.55 51.11 2jrs s ASP 77 Cb 0.09 0.01 -0.19 0.00 -1.46 0.00 0.00 42.92 41.37 2jrs s ASP 77 CO 0.33 -0.23 0.99 0.77 0.52 0.00 0.00 175.17 177.55 2jrs h SER 78 N 3.90 -0.08 1.22 -0.34 4.64 -1.58 -3.01 113.55 118.29 2jrs h SER 78 Ca -0.37 -0.52 -0.05 0.00 -0.47 0.00 0.00 61.79 60.38 2jrs h SER 78 Cb 1.19 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2jrs h SER 78 CO 0.48 0.54 -0.22 -0.33 -0.87 0.00 0.00 176.83 176.43 2jrs h GLU 79 N -0.75 0.00 -0.69 4.77 5.08 -1.89 -0.66 114.58 120.44 2jrs h GLU 79 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jrs h GLU 79 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2jrs h GLU 79 CO 0.02 0.22 0.42 0.00 -1.00 0.00 0.00 179.01 178.67 2jrs h ALA 81 N 1.22 0.24 -0.48 0.00 0.00 -1.29 -2.64 119.26 116.31 2jrs h ALA 81 Ca 0.25 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2jrs h ALA 81 Cb -0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2jrs h ALA 81 CO -0.05 -0.02 0.08 -0.22 0.00 0.00 0.00 179.25 179.04 2jrs h LYS 82 N 0.05 0.20 -0.51 0.00 3.64 -0.93 0.20 116.57 119.22 2jrs h LYS 82 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jrs h LYS 82 Cb 0.44 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2jrs h LYS 82 CO 0.01 0.13 0.32 -0.22 -2.27 0.00 0.00 179.45 177.43 2jrs h LYS 83 N 0.21 0.67 -1.00 1.90 3.64 -0.85 -0.59 116.57 120.56 2jrs h LYS 83 Ca 0.24 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2jrs h LYS 83 Cb 0.33 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 2jrs h LYS 83 CO -0.33 0.46 0.65 0.00 -2.27 0.00 0.00 179.45 177.97 2jrs h ALA 84 N 1.17 1.31 0.74 5.00 0.00 -1.04 -2.60 119.26 123.84 2jrs h ALA 84 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jrs h ALA 84 Cb -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.38 2jrs h ALA 84 CO -0.04 0.57 -0.36 1.25 0.00 0.00 0.00 179.25 180.68 2jrs h LEU 85 N 1.28 -0.84 -2.12 0.00 6.46 -0.13 -0.26 115.31 119.70 2jrs h LEU 85 Ca 0.39 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 2jrs h LEU 85 Cb -0.04 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2jrs h LEU 85 CO -0.11 -0.55 -0.06 1.05 -0.62 0.00 0.00 178.44 178.15 2jrs h GLU 86 N -1.08 0.00 0.06 1.25 4.11 -1.08 0.32 114.58 118.15 2jrs h GLU 86 Ca -0.10 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.00 2jrs h GLU 86 Cb 0.78 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2jrs h GLU 86 CO 0.17 0.06 -1.86 1.04 0.07 0.00 0.00 179.01 178.48 2jrs n GLN 87 N -4.01 0.69 0.01 1.06 3.00 -0.99 -4.47 117.38 112.67 2jrs n GLN 87 Ca -0.03 0.27 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 2jrs n GLN 87 Cb 0.15 -1.75 -0.08 0.00 0.00 0.00 0.00 30.24 28.56 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 -3.24 0.59 -4.58 1.08 4.77 -0.11 -4.55 117.00 110.96 2jrs n LEU 88 Ca -0.24 -0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.24 2jrs n LEU 88 Cb 1.05 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 42.05 2jrs n LEU 88 CO 0.44 0.11 1.54 0.21 -1.33 0.00 0.00 177.39 178.36 2jrs s ASN 89 N -3.72 5.22 0.00 -1.43 2.47 0.11 -0.90 114.94 116.69 2jrs s ASN 89 Ca 0.02 -1.69 0.00 0.00 0.42 0.00 0.00 52.86 51.61 2jrs s ASN 89 Cb 0.15 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2jrs s ASN 89 CO 0.85 -2.87 0.00 0.61 -3.72 0.00 0.00 177.10 171.98 2jrs n GLY 90 N 5.83 0.27 3.77 1.21 0.00 0.21 -4.85 105.19 111.63 2jrs n GLY 90 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 2jrs n GLY 90 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jrs n PHE 91 N 0.00 2.96 -2.24 1.61 7.35 -0.07 -4.15 117.46 122.92 2jrs n PHE 91 Ca 0.00 0.45 -0.33 0.00 -0.76 0.00 0.00 57.45 56.81 2jrs n PHE 91 Cb 0.00 -2.53 -0.04 0.00 0.35 0.00 0.00 39.48 37.26 2jrs n PHE 91 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jrs s GLU 92 N -2.11 2.97 -0.33 -4.13 0.41 -1.26 -0.20 118.70 114.06 2jrs s GLU 92 Ca 0.53 -1.04 -0.20 0.00 -0.41 0.00 0.00 54.97 53.85 2jrs s GLU 92 Cb -0.48 -5.26 -0.00 0.00 -1.78 0.00 0.00 34.13 26.61 2jrs s GLU 92 CO 0.64 -3.18 0.63 -1.17 -0.49 0.00 0.00 175.26 171.69 2jrs s LEU 93 N 8.47 4.20 -1.50 1.80 2.96 0.17 -4.20 118.68 130.57 2jrs s LEU 93 Ca 0.62 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 2jrs s LEU 93 Cb -0.02 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.88 2jrs s LEU 93 CO 0.04 -0.54 0.00 0.00 -1.32 0.00 0.00 176.35 174.53 2jrs n ALA 94 N 5.96 -0.22 -0.11 5.97 0.00 -1.26 -0.74 120.51 130.12 2jrs n ALA 94 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jrs n ALA 94 Cb 0.49 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 0.04 0.94 3.03 0.00 0.00 -1.26 -5.09 105.19 102.85 2jrs n GLY 95 Ca -0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.77 0.87 0.23 1.61 0.52 0.08 -5.06 118.95 116.43 2jrs s ARG 96 Ca 0.00 -0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 2jrs s ARG 96 Cb 0.00 -0.83 -0.12 0.00 0.52 0.00 0.00 34.95 34.52 2jrs s ARG 96 CO 0.00 0.18 1.69 -1.25 0.02 0.00 0.00 175.30 175.94 2jrs s PRO 97 N -0.08 4.12 -0.29 3.54 0.04 -1.25 0.41 135.00 141.49 2jrs s PRO 97 Ca 0.01 2.61 -0.14 0.00 0.04 0.00 0.00 61.00 63.52 2jrs s PRO 97 Cb -0.06 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 2jrs s PRO 97 CO -0.00 -0.72 0.33 1.41 0.04 0.00 0.00 177.00 178.05 2jrs s MET 98 N 0.71 3.90 -0.56 4.56 1.75 0.72 -4.86 119.30 125.53 2jrs s MET 98 Ca 0.72 -0.14 -0.23 0.00 -1.25 0.00 0.00 55.69 54.79 2jrs s MET 98 Cb -0.49 -3.69 0.05 0.00 2.84 0.00 0.00 34.83 33.54 2jrs s MET 98 CO 0.37 -0.31 0.87 0.15 -0.65 0.00 0.00 175.02 175.45 2jrs s LYS 99 N 1.99 3.25 -0.31 4.11 -0.14 -1.26 0.67 119.74 128.05 2jrs s LYS 99 Ca 0.12 -0.49 -0.04 0.00 -1.36 0.00 0.00 55.97 54.20 2jrs s LYS 99 Cb -0.16 -4.09 0.04 0.00 -1.68 0.00 0.00 37.83 31.94 2jrs s LYS 99 CO 0.11 -1.47 0.05 0.08 -0.76 0.00 0.00 175.35 173.35 2jrs s VAL 100 N 3.66 3.46 0.06 3.17 1.01 -1.26 -1.61 120.40 128.89 2jrs s VAL 100 Ca 0.26 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2jrs s VAL 100 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2jrs s VAL 100 CO 0.16 -0.07 -0.10 -0.83 0.00 0.00 0.00 175.10 174.26 2jrs s GLY 101 N 1.36 0.68 0.43 4.51 0.00 -0.12 -4.72 107.32 109.46 2jrs s GLY 101 Ca -0.02 -0.91 -0.25 0.00 0.00 0.00 0.00 44.72 43.54 2jrs s GLY 101 CO 0.01 -0.96 1.25 -2.38 0.00 0.00 0.00 173.10 171.03 2jrs s HIS 102 N -1.51 2.84 0.49 1.90 -3.43 -1.26 0.17 115.29 114.48 2jrs s HIS 102 Ca -0.05 1.46 -0.22 0.00 -0.80 0.00 0.00 55.06 55.45 2jrs s HIS 102 Cb -0.09 -3.57 -0.07 0.00 -1.43 0.00 0.00 32.58 27.42 2jrs s HIS 102 CO 0.01 -1.89 1.19 0.08 -2.00 0.00 0.00 174.74 172.12 2jrs s VAL 103 N -1.34 2.96 0.49 -5.38 1.01 -1.23 -4.75 120.40 112.17 2jrs s VAL 103 Ca 0.59 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 63.07 2jrs s VAL 103 Cb -0.35 -3.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2jrs s VAL 103 CO 0.44 -0.04 1.04 -0.89 0.00 0.00 0.00 175.10 175.66 2jrs s THR 104 N -1.55 3.76 0.15 3.92 2.01 -1.26 -4.98 115.64 117.68 2jrs s THR 104 Ca 0.67 1.08 -0.19 0.00 0.31 0.00 0.00 61.69 63.56 2jrs s THR 104 Cb -0.29 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 68.81 2jrs s THR 104 CO 0.35 -0.25 1.69 -0.33 -0.69 0.00 0.00 174.62 175.39 2jrs h GLU 105 N 1.48 -0.00 -5.80 4.92 5.08 -2.04 -3.27 114.58 114.95 2jrs h GLU 105 Ca -0.49 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.20 2jrs h GLU 105 Cb 1.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 2jrs h GLU 105 CO 0.59 -0.00 1.86 1.03 -1.00 0.00 0.00 179.01 181.49 2jrs s ARG 106 N -6.21 3.86 -0.08 2.33 0.52 -1.26 -4.66 118.95 113.46 2jrs s ARG 106 Ca -0.14 -1.78 0.16 0.00 -0.52 0.00 0.00 55.73 53.45 2jrs s ARG 106 Cb 0.12 -5.42 -0.23 0.00 0.52 0.00 0.00 34.95 29.95 2jrs s ARG 106 CO 0.70 -2.18 0.47 -2.37 0.02 0.00 0.00 175.30 171.93 2jrs n THR 107 N 6.34 1.34 -0.64 0.02 5.66 -1.24 -5.22 114.28 120.55 2jrs n THR 107 Ca 0.42 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2jrs n THR 107 Cb 0.47 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 2jrs n THR 107 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35