#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxj h ILE 17 N 0.00 0.83 -2.19 -0.61 2.04 -1.97 -3.47 117.51 112.14 1rxj h ILE 17 Ca 0.00 -2.43 -0.60 0.00 1.00 0.00 0.00 64.86 62.84 1rxj h ILE 17 Cb 0.00 2.65 0.06 0.00 -0.74 0.00 0.00 36.82 38.79 1rxj h ILE 17 CO 0.00 0.85 0.77 0.41 0.00 0.00 0.00 178.15 180.18 1rxj n THR 18 N -3.61 0.03 -0.10 -0.27 -1.04 -1.26 -4.77 114.28 103.26 1rxj n THR 18 Ca -0.28 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1rxj n THR 18 Cb 1.04 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1rxj n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rxj n GLY 19 N 3.37 0.90 3.56 3.41 0.00 0.17 -4.99 105.19 111.60 1rxj n GLY 19 Ca 0.17 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1rxj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rxj s THR 20 N -3.14 4.16 0.12 2.61 2.01 -1.26 -1.37 115.64 118.76 1rxj s THR 20 Ca 0.00 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1rxj s THR 20 Cb 0.00 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1rxj s THR 20 CO 0.00 0.51 -0.15 0.26 -0.69 0.00 0.00 174.62 174.55 1rxj s TRP 21 N 0.14 1.43 -0.03 4.92 0.52 0.57 -4.66 118.94 121.83 1rxj s TRP 21 Ca 0.01 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.62 1rxj s TRP 21 Cb -0.13 -0.75 0.00 0.00 -1.15 0.00 0.00 33.47 31.44 1rxj s TRP 21 CO 0.02 0.15 -0.11 0.71 0.02 0.00 0.00 176.95 177.74 1rxj s TYR 22 N -1.98 1.10 0.57 -1.98 2.02 -0.31 -0.49 117.35 116.28 1rxj s TYR 22 Ca 0.08 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1rxj s TYR 22 Cb -0.06 -0.77 0.08 0.00 -0.40 0.00 0.00 41.96 40.81 1rxj s TYR 22 CO 0.03 -0.11 0.64 0.27 -1.57 0.00 0.00 175.55 174.81 1rxj n ASN 23 N 3.25 2.41 0.23 2.29 0.23 -0.94 -0.77 115.26 121.96 1rxj n ASN 23 Ca -0.18 -2.71 0.16 0.00 -0.53 0.00 0.00 54.58 51.32 1rxj n ASN 23 Cb 0.54 -0.26 0.68 0.00 -2.08 0.00 0.00 39.78 38.66 1rxj n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1rxj h GLN 24 N 0.00 0.00 -0.01 -3.83 -0.00 -1.90 -2.10 115.11 107.26 1rxj h GLN 24 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1rxj h GLN 24 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1rxj h GLN 24 CO 0.46 0.00 -0.02 1.28 -0.00 0.00 0.00 178.83 180.55 1rxj n LEU 25 N -2.74 1.29 0.00 0.06 4.77 -1.26 -4.94 117.00 114.18 1rxj n LEU 25 Ca 0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1rxj n LEU 25 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1rxj n LEU 25 CO 0.22 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1rxj n GLY 26 N 1.17 0.60 3.79 -0.72 0.00 -0.79 -5.05 105.19 104.19 1rxj n GLY 26 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1rxj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rxj s SER 27 N -2.03 5.93 -0.17 1.61 0.01 -1.26 -4.85 113.70 112.93 1rxj s SER 27 Ca 0.00 1.98 -0.01 0.00 1.31 0.00 0.00 55.95 59.23 1rxj s SER 27 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 1rxj s SER 27 CO 0.00 -1.07 -0.13 -0.89 0.41 0.00 0.00 173.24 171.56 1rxj s THR 28 N -2.06 2.80 -0.31 1.44 2.01 -0.30 -2.21 115.64 117.00 1rxj s THR 28 Ca 0.68 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 1rxj s THR 28 Cb -0.19 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.17 1rxj s THR 28 CO 0.28 0.50 0.02 0.12 -0.69 0.00 0.00 174.62 174.84 1rxj s PHE 29 N 1.00 3.30 -0.20 4.92 5.99 0.36 -1.00 117.98 132.34 1rxj s PHE 29 Ca -0.02 -1.93 -0.05 0.00 0.00 0.00 0.00 56.93 54.93 1rxj s PHE 29 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 43.02 40.64 1rxj s PHE 29 CO -0.02 -0.82 0.01 0.42 -0.00 0.00 0.00 175.22 174.80 1rxj s ILE 30 N 1.24 3.98 -0.05 3.12 1.01 -0.15 -0.31 121.20 130.04 1rxj s ILE 30 Ca -0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1rxj s ILE 30 Cb -0.20 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1rxj s ILE 30 CO -0.01 0.42 0.19 0.54 0.00 0.00 0.00 174.94 176.08 1rxj s VAL 31 N 1.06 0.03 -0.12 2.92 0.11 -0.47 -1.19 120.40 122.73 1rxj s VAL 31 Ca 0.02 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1rxj s VAL 31 Cb -0.14 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1rxj s VAL 31 CO 0.02 -0.12 -0.15 0.28 -3.33 0.00 0.00 175.10 171.80 1rxj s THR 32 N -0.38 2.90 -0.48 5.04 -1.32 0.70 -0.66 115.64 121.44 1rxj s THR 32 Ca -0.05 -0.72 -0.17 0.00 -1.21 0.00 0.00 61.69 59.54 1rxj s THR 32 Cb -0.03 -2.20 0.06 0.00 -1.51 0.00 0.00 72.50 68.82 1rxj s THR 32 CO 0.01 0.53 0.48 0.00 -2.21 0.00 0.00 174.62 173.43 1rxj s ALA 33 N 0.30 3.48 0.62 11.08 0.00 -1.26 -1.79 121.76 134.19 1rxj s ALA 33 Ca -0.11 -1.90 -0.12 0.00 0.00 0.00 0.00 51.96 49.83 1rxj s ALA 33 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1rxj s ALA 33 CO 0.06 -1.81 1.03 0.20 0.00 0.00 0.00 175.76 175.24 1rxj s GLY 34 N 2.52 1.71 0.56 0.00 0.00 0.54 -4.86 107.32 107.79 1rxj s GLY 34 Ca 0.09 -0.04 0.25 0.00 0.00 0.00 0.00 44.72 45.02 1rxj s GLY 34 CO 0.09 0.24 2.19 0.00 0.00 0.00 0.00 173.10 175.62 1rxj h ALA 35 N -0.23 1.62 -0.05 3.20 0.00 -1.97 -1.87 119.26 119.96 1rxj h ALA 35 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1rxj h ALA 35 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rxj h ALA 35 CO 0.61 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1rxj n ASP 36 N -4.02 0.33 0.00 0.00 5.75 -1.26 -4.88 116.55 112.47 1rxj n ASP 36 Ca -0.03 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1rxj n ASP 36 Cb 0.11 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1rxj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rxj n GLY 37 N 0.73 0.74 3.82 6.12 0.00 -0.70 -5.03 105.19 110.87 1rxj n GLY 37 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1rxj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxj s ALA 38 N -2.44 3.40 -0.13 4.61 0.00 -1.25 -1.17 121.76 124.77 1rxj s ALA 38 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1rxj s ALA 38 Cb 0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1rxj s ALA 38 CO 0.00 0.33 -0.07 -0.51 0.00 0.00 0.00 175.76 175.51 1rxj s LEU 39 N -2.15 3.08 0.00 0.00 1.43 -0.07 -0.34 118.68 120.64 1rxj s LEU 39 Ca 0.45 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1rxj s LEU 39 Cb -0.16 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 1rxj s LEU 39 CO 0.20 0.21 -0.01 -0.89 0.23 0.00 0.00 176.35 176.09 1rxj s THR 40 N 0.09 0.07 -2.74 5.49 2.01 -0.74 -0.88 115.64 118.93 1rxj s THR 40 Ca -0.02 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1rxj s THR 40 Cb -0.14 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1rxj s THR 40 CO 0.03 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1rxj n GLY 41 N 2.79 -0.61 3.09 4.40 0.00 -1.00 -0.22 105.19 113.63 1rxj n GLY 41 Ca -0.14 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1rxj n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxj s THR 42 N -3.79 0.55 -0.05 2.61 -4.23 -0.33 -1.53 115.64 108.87 1rxj s THR 42 Ca 0.00 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1rxj s THR 42 Cb 0.00 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.94 1rxj s THR 42 CO 0.00 -0.53 -0.14 -0.47 -0.54 0.00 0.00 174.62 172.93 1rxj s TYR 43 N -2.05 1.52 -0.05 3.99 6.14 0.24 -0.98 117.35 126.17 1rxj s TYR 43 Ca -0.04 -0.49 0.02 0.00 0.64 0.00 0.00 57.07 57.20 1rxj s TYR 43 Cb -0.05 -1.07 0.01 0.00 0.42 0.00 0.00 41.96 41.27 1rxj s TYR 43 CO -0.01 -0.21 -0.11 -2.00 0.64 0.00 0.00 175.55 173.86 1rxj s GLU 44 N 0.33 1.39 -0.05 4.97 2.12 -0.17 -0.86 118.70 126.43 1rxj s GLU 44 Ca -0.09 -0.37 -0.25 0.00 0.36 0.00 0.00 54.97 54.63 1rxj s GLU 44 Cb -0.13 -1.21 -0.23 0.00 0.26 0.00 0.00 34.13 32.81 1rxj s GLU 44 CO 0.03 0.07 1.03 1.03 -0.54 0.00 0.00 175.26 176.88 1rxj h SER 45 N 6.73 0.21 0.00 -1.70 0.87 -1.91 -0.77 113.55 116.98 1rxj h SER 45 Ca -0.33 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.46 1rxj h SER 45 Cb 1.18 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1rxj h SER 45 CO 0.48 0.96 0.00 0.29 -0.53 0.00 0.00 176.83 178.03 1rxj n LYS 52 N -4.52 0.00 -4.18 2.24 4.01 -1.26 -4.43 118.16 110.02 1rxj n LYS 52 Ca -0.10 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.35 1rxj n LYS 52 Cb 0.50 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.93 1rxj n LYS 52 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1rxj s ARG 53 N -0.96 3.26 0.05 1.97 0.52 -1.26 -4.96 118.95 117.57 1rxj s ARG 53 Ca 0.00 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 1rxj s ARG 53 Cb 0.00 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 1rxj s ARG 53 CO 0.00 0.66 -0.12 0.71 0.02 0.00 0.00 175.30 176.57 1rxj s TYR 54 N -0.74 1.06 0.33 -0.53 1.51 -0.04 -4.80 117.35 114.14 1rxj s TYR 54 Ca 0.12 -0.42 -0.28 0.00 -1.01 0.00 0.00 57.07 55.49 1rxj s TYR 54 Cb -0.12 -0.62 -0.09 0.00 -0.11 0.00 0.00 41.96 41.02 1rxj s TYR 54 CO 0.03 0.02 1.16 0.08 -1.11 0.00 0.00 175.55 175.72 1rxj s VAL 55 N -1.10 3.24 0.14 0.71 1.01 -1.26 -0.59 120.40 122.55 1rxj s VAL 55 Ca -0.02 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1rxj s VAL 55 Cb -0.09 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1rxj s VAL 55 CO 0.01 0.23 -0.17 -1.48 0.00 0.00 0.00 175.10 173.69 1rxj s LEU 56 N -1.86 2.41 0.01 3.92 0.05 -0.58 -4.33 118.68 118.29 1rxj s LEU 56 Ca 0.49 -0.82 -0.08 0.00 0.05 0.00 0.00 54.13 53.78 1rxj s LEU 56 Cb -0.33 -0.74 0.00 0.00 -2.05 0.00 0.00 46.19 43.08 1rxj s LEU 56 CO 0.42 -0.06 0.14 0.28 -0.55 0.00 0.00 176.35 176.59 1rxj s THR 57 N -1.95 0.09 0.00 5.48 -1.32 -1.04 -2.38 115.64 114.52 1rxj s THR 57 Ca 0.12 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1rxj s THR 57 Cb -0.06 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1rxj s THR 57 CO 0.05 -0.39 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 1rxj n GLY 58 N 1.37 1.99 3.06 6.08 0.00 -0.06 -1.18 105.19 116.45 1rxj n GLY 58 Ca -0.22 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1rxj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rxj s ARG 59 N 0.36 0.46 0.06 1.61 1.81 -0.51 -0.90 118.95 121.84 1rxj s ARG 59 Ca 0.00 -0.71 -0.04 0.00 -1.72 0.00 0.00 55.73 53.26 1rxj s ARG 59 Cb 0.00 0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1rxj s ARG 59 CO 0.00 -0.10 0.06 1.52 -0.68 0.00 0.00 175.30 176.10 1rxj s TYR 60 N -2.14 0.38 -0.40 -0.53 1.13 -0.32 -1.38 117.35 114.08 1rxj s TYR 60 Ca -0.09 -0.88 -0.29 0.00 -1.41 0.00 0.00 57.07 54.40 1rxj s TYR 60 Cb -0.04 -0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.56 1rxj s TYR 60 CO -0.03 -0.44 1.47 0.34 -2.51 0.00 0.00 175.55 174.38 1rxj s ASP 61 N -2.89 6.26 0.00 -0.18 2.15 -0.49 -4.67 116.67 116.84 1rxj s ASP 61 Ca 0.06 0.89 0.30 0.00 0.43 0.00 0.00 52.55 54.23 1rxj s ASP 61 Cb 0.07 -2.54 1.46 0.00 -0.30 0.00 0.00 42.92 41.60 1rxj s ASP 61 CO -0.10 -1.49 2.00 -1.54 -0.17 0.00 0.00 175.17 173.87 1rxj n SER 62 N 9.08 0.19 -3.19 -0.34 3.41 -1.26 -3.98 113.62 117.53 1rxj n SER 62 Ca 0.17 -0.42 -0.23 0.00 -0.26 0.00 0.00 58.87 58.13 1rxj n SER 62 Cb 0.48 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1rxj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxj n ALA 63 N -1.11 2.93 -1.14 7.33 0.00 -1.26 -5.07 120.51 122.18 1rxj n ALA 63 Ca 0.16 -3.84 -0.30 0.00 0.00 0.00 0.00 53.44 49.46 1rxj n ALA 63 Cb 0.24 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 18.97 1rxj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rxj s PRO 64 N -2.14 1.39 0.68 0.00 0.04 -1.26 -5.00 135.00 128.73 1rxj s PRO 64 Ca 0.39 0.98 -0.16 0.00 0.04 0.00 0.00 61.00 62.26 1rxj s PRO 64 Cb 0.24 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.98 1rxj s PRO 64 CO -0.09 -2.19 1.17 0.00 0.04 0.00 0.00 177.00 175.93 1rxj s ALA 65 N -2.88 2.30 -0.51 8.56 0.00 -1.26 -4.96 121.76 123.02 1rxj s ALA 65 Ca 0.63 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1rxj s ALA 65 Cb -0.19 -3.41 0.41 0.00 0.00 0.00 0.00 23.12 19.93 1rxj s ALA 65 CO 0.57 -1.55 1.25 0.25 0.00 0.00 0.00 175.76 176.28 1rxj n THR 66 N -2.44 2.58 -0.82 0.00 -2.24 -1.26 -4.64 114.28 105.45 1rxj n THR 66 Ca 0.12 -4.85 0.08 0.00 -2.27 0.00 0.00 64.05 57.13 1rxj n THR 66 Cb 0.51 -1.27 0.12 0.00 -2.10 0.00 0.00 70.33 67.59 1rxj n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rxj n ASP 67 N -0.49 2.41 0.00 3.42 5.75 -1.26 -4.94 116.55 121.44 1rxj n ASP 67 Ca 0.41 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1rxj n ASP 67 Cb 0.59 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1rxj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rxj n GLY 68 N -1.12 0.69 3.80 6.12 0.00 -1.26 -5.07 105.19 108.35 1rxj n GLY 68 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1rxj n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rxj s SER 69 N -2.73 6.26 0.98 1.61 0.01 -1.26 -5.06 113.70 113.52 1rxj s SER 69 Ca 0.00 1.93 -0.13 0.00 1.31 0.00 0.00 55.95 59.05 1rxj s SER 69 Cb 0.00 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.85 1rxj s SER 69 CO 0.00 -0.84 1.13 -0.83 0.41 0.00 0.00 173.24 173.12 1rxj s GLY 70 N -2.05 1.59 -0.33 3.44 0.00 -1.26 -4.82 107.32 103.88 1rxj s GLY 70 Ca 0.67 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 1rxj s GLY 70 CO 0.22 0.05 0.22 -1.59 0.00 0.00 0.00 173.10 171.99 1rxj s THR 71 N -3.20 5.09 0.35 0.90 2.01 0.14 -4.75 115.64 116.19 1rxj s THR 71 Ca 0.66 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 1rxj s THR 71 Cb -0.14 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 1rxj s THR 71 CO 0.55 0.00 1.23 0.00 -0.69 0.00 0.00 174.62 175.71 1rxj s ALA 72 N 1.69 3.34 0.23 7.40 0.00 -1.26 -0.89 121.76 132.27 1rxj s ALA 72 Ca 0.06 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.92 1rxj s ALA 72 Cb -0.17 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1rxj s ALA 72 CO 0.09 -0.55 0.62 -0.48 0.00 0.00 0.00 175.76 175.45 1rxj s LEU 73 N -2.04 -0.18 0.10 0.00 2.34 -0.51 -1.40 118.68 116.99 1rxj s LEU 73 Ca 0.52 -0.48 -0.25 0.00 0.06 0.00 0.00 54.13 53.98 1rxj s LEU 73 Cb -0.35 2.46 0.07 0.00 -0.56 0.00 0.00 46.19 47.81 1rxj s LEU 73 CO 0.46 -1.18 0.64 -0.83 -1.06 0.00 0.00 176.35 174.39 1rxj s GLY 74 N -2.88 -0.60 0.17 -3.48 0.00 -0.48 -1.44 107.32 98.62 1rxj s GLY 74 Ca 0.09 0.73 -0.14 0.00 0.00 0.00 0.00 44.72 45.41 1rxj s GLY 74 CO 0.00 0.36 0.41 0.66 0.00 0.00 0.00 173.10 174.54 1rxj s TRP 75 N -3.10 0.04 -0.01 1.90 -2.14 -0.42 -1.43 118.94 113.78 1rxj s TRP 75 Ca -0.01 -0.39 0.06 0.00 2.66 0.00 0.00 56.10 58.41 1rxj s TRP 75 Cb -0.01 0.21 -0.02 0.00 -3.10 0.00 0.00 33.47 30.56 1rxj s TRP 75 CO -0.07 -0.81 -0.20 0.99 -2.66 0.00 0.00 176.95 174.20 1rxj s THR 76 N -3.89 1.55 -0.14 0.66 2.01 -0.32 -0.88 115.64 114.62 1rxj s THR 76 Ca 0.11 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1rxj s THR 76 Cb 0.01 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1rxj s THR 76 CO -0.04 0.44 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.43 1rxj s VAL 77 N -0.46 2.02 -0.17 3.82 1.01 -0.26 -2.49 120.40 123.86 1rxj s VAL 77 Ca 0.08 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 1rxj s VAL 77 Cb -0.08 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1rxj s VAL 77 CO -0.01 0.54 0.53 0.00 0.00 0.00 0.00 175.10 176.16 1rxj s ALA 78 N 0.91 3.51 -0.07 5.51 0.00 -1.26 -0.75 121.76 129.61 1rxj s ALA 78 Ca -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1rxj s ALA 78 Cb -0.15 -2.80 -0.19 0.00 0.00 0.00 0.00 23.12 19.98 1rxj s ALA 78 CO -0.04 -0.32 3.33 0.91 0.00 0.00 0.00 175.76 179.64 1rxj n TRP 79 N 4.47 0.25 -5.22 0.00 7.02 -0.23 -4.73 117.44 119.00 1rxj n TRP 79 Ca -0.05 -1.52 -0.32 0.00 -1.02 0.00 0.00 57.50 54.59 1rxj n TRP 79 Cb 0.51 -1.45 -0.17 0.00 -2.42 0.00 0.00 31.31 27.77 1rxj n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1rxj s LYS 80 N 0.47 2.97 0.00 -0.99 2.20 -1.26 -1.16 119.74 121.98 1rxj s LYS 80 Ca 0.59 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1rxj s LYS 80 Cb 0.30 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 1rxj s LYS 80 CO -0.03 0.21 0.00 0.27 -0.36 0.00 0.00 175.35 175.44 1rxj n ASN 81 N 3.44 1.05 0.20 1.43 0.23 -0.44 -4.72 115.26 116.45 1rxj n ASN 81 Ca -0.19 -0.29 0.14 0.00 -0.53 0.00 0.00 54.58 53.71 1rxj n ASN 81 Cb 0.53 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.78 1rxj n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1rxj h ASN 82 N 0.00 0.00 0.00 0.53 -0.26 -2.00 -3.31 115.58 110.53 1rxj h ASN 82 Ca 0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 1rxj h ASN 82 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1rxj h ASN 82 CO 0.00 0.00 -1.70 -1.22 -1.06 0.00 0.00 177.43 173.45 1rxj n TYR 83 N -2.68 0.00 -4.02 1.19 4.01 -1.26 -5.07 117.16 109.34 1rxj n TYR 83 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1rxj n TYR 83 Cb 0.30 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 38.74 1rxj n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1rxj s ARG 84 N -2.30 0.59 -0.26 -0.72 1.81 -1.25 -5.15 118.95 111.67 1rxj s ARG 84 Ca -0.05 -1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 52.91 1rxj s ARG 84 Cb 0.03 0.21 0.14 0.00 -0.45 0.00 0.00 34.95 34.89 1rxj s ARG 84 CO 0.43 -0.13 0.48 1.21 -0.68 0.00 0.00 175.30 176.62 1rxj s ASN 85 N -2.54 -0.51 0.00 0.23 3.84 -1.26 -1.32 114.94 113.39 1rxj s ASN 85 Ca 0.01 0.75 0.28 0.00 0.21 0.00 0.00 52.86 54.11 1rxj s ASN 85 Cb 0.03 1.62 1.05 0.00 -0.55 0.00 0.00 41.25 43.40 1rxj s ASN 85 CO -0.08 -0.26 1.74 0.00 -2.79 0.00 0.00 177.10 175.71 1rxj n ALA 86 N 5.40 2.71 -3.59 1.71 0.00 -0.31 -4.96 120.51 121.48 1rxj n ALA 86 Ca -0.05 -0.41 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 1rxj n ALA 86 Cb 0.50 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.80 1rxj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rxj n HIS 87 N -0.18 -2.03 -3.68 0.00 8.25 -1.26 -4.87 115.22 111.45 1rxj n HIS 87 Ca 0.17 0.59 -0.07 0.00 -0.26 0.00 0.00 57.72 58.15 1rxj n HIS 87 Cb 0.33 -3.69 -0.02 0.00 1.12 0.00 0.00 29.99 27.73 1rxj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1rxj s SER 88 N -3.55 -0.33 -0.12 0.41 1.04 -1.26 -1.39 113.70 108.50 1rxj s SER 88 Ca 0.42 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 1rxj s SER 88 Cb -0.12 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1rxj s SER 88 CO 0.83 -1.05 0.32 0.00 0.98 0.00 0.00 173.24 174.32 1rxj s ALA 89 N -3.61 -0.78 -0.10 5.32 0.00 -0.27 -1.06 121.76 121.25 1rxj s ALA 89 Ca 0.08 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 1rxj s ALA 89 Cb -0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1rxj s ALA 89 CO -0.01 -0.17 -0.07 0.99 0.00 0.00 0.00 175.76 176.50 1rxj s THR 90 N 0.47 3.66 -0.11 0.00 2.01 0.07 -0.98 115.64 120.76 1rxj s THR 90 Ca -0.02 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1rxj s THR 90 Cb -0.04 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1rxj s THR 90 CO -0.02 0.56 -0.11 0.42 -0.69 0.00 0.00 174.62 174.78 1rxj s THR 91 N -0.37 3.25 -0.18 -0.82 -4.23 -0.29 -1.10 115.64 111.90 1rxj s THR 91 Ca 0.05 -0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 1rxj s THR 91 Cb -0.12 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1rxj s THR 91 CO 0.02 0.54 0.03 0.26 -0.54 0.00 0.00 174.62 174.93 1rxj s TRP 92 N -0.02 3.16 -0.10 3.99 0.51 -0.06 -1.27 118.94 125.15 1rxj s TRP 92 Ca -0.02 -0.09 0.03 0.00 -2.12 0.00 0.00 56.10 53.90 1rxj s TRP 92 Cb -0.14 -2.05 0.01 0.00 -0.81 0.00 0.00 33.47 30.48 1rxj s TRP 92 CO 0.04 0.05 -0.21 0.45 -0.51 0.00 0.00 176.95 176.77 1rxj s SER 93 N 0.46 2.78 0.00 2.95 0.15 -0.02 -1.31 113.70 118.72 1rxj s SER 93 Ca 0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1rxj s SER 93 Cb -0.13 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1rxj s SER 93 CO 0.01 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1rxj n GLY 94 N 3.73 1.66 3.07 9.45 0.00 -0.52 -1.19 105.19 121.39 1rxj n GLY 94 Ca -0.20 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1rxj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rxj s GLN 95 N 1.25 0.26 -0.00 1.61 -2.07 -0.61 -1.43 119.66 118.67 1rxj s GLN 95 Ca 0.00 0.15 -0.26 0.00 -1.82 0.00 0.00 55.36 53.43 1rxj s GLN 95 Cb 0.00 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 1rxj s GLN 95 CO 0.00 -0.04 0.80 -0.47 -1.32 0.00 0.00 175.29 174.26 1rxj s TYR 96 N -0.15 3.66 -0.22 9.60 5.04 -0.07 -1.34 117.35 133.88 1rxj s TYR 96 Ca -0.02 1.46 0.02 0.00 -2.44 0.00 0.00 57.07 56.08 1rxj s TYR 96 Cb -0.02 -2.90 0.04 0.00 0.35 0.00 0.00 41.96 39.43 1rxj s TYR 96 CO 0.00 0.13 -0.15 0.08 -1.34 0.00 0.00 175.55 174.28 1rxj s VAL 97 N 0.51 2.07 0.59 3.14 1.01 0.66 -0.68 120.40 127.70 1rxj s VAL 97 Ca 0.42 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1rxj s VAL 97 Cb -0.20 -2.05 0.13 0.00 0.00 0.00 0.00 36.38 34.26 1rxj s VAL 97 CO 0.23 0.22 0.80 0.61 0.00 0.00 0.00 175.10 176.96 1rxj n GLY 98 N 4.53 -0.89 0.00 4.51 0.00 -1.26 -1.11 105.19 110.98 1rxj n GLY 98 Ca -0.17 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1rxj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rxj n GLY 99 N -0.38 -0.44 0.25 -0.02 0.00 -1.26 -4.53 105.19 98.81 1rxj n GLY 99 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1rxj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxj h ALA 100 N 0.00 1.35 -2.20 4.61 0.00 -2.06 -3.09 119.26 117.86 1rxj h ALA 100 Ca 0.00 -0.24 -0.63 0.00 0.00 0.00 0.00 54.91 54.04 1rxj h ALA 100 Cb 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.27 1rxj h ALA 100 CO 0.00 0.44 -0.42 -1.91 0.00 0.00 0.00 179.25 177.36 1rxj n GLU 101 N -4.23 2.75 -1.91 0.00 2.13 -1.26 -5.09 120.64 113.03 1rxj n GLU 101 Ca 0.00 -4.66 -0.38 0.00 0.66 0.00 0.00 57.16 52.78 1rxj n GLU 101 Cb 0.30 -2.29 0.02 0.00 0.27 0.00 0.00 31.44 29.74 1rxj n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rxj s ALA 102 N -2.47 2.95 0.04 4.31 0.00 -1.17 -4.94 121.76 120.47 1rxj s ALA 102 Ca 0.38 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.56 1rxj s ALA 102 Cb 0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1rxj s ALA 102 CO -0.00 -1.15 0.05 1.03 0.00 0.00 0.00 175.76 175.69 1rxj s ARG 103 N -2.74 0.53 -0.24 0.00 1.81 -0.26 -4.13 118.95 113.92 1rxj s ARG 103 Ca 0.67 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.90 1rxj s ARG 103 Cb -0.38 0.20 0.04 0.00 -0.45 0.00 0.00 34.95 34.36 1rxj s ARG 103 CO 0.46 -0.12 -0.11 0.42 -0.68 0.00 0.00 175.30 175.28 1rxj s ILE 104 N -2.55 2.48 -0.27 1.52 1.01 -0.31 -0.25 121.20 122.84 1rxj s ILE 104 Ca -0.06 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 1rxj s ILE 104 Cb -0.02 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1rxj s ILE 104 CO -0.05 0.19 0.18 0.20 0.00 0.00 0.00 174.94 175.47 1rxj s ASN 105 N 1.25 6.06 0.14 3.58 0.01 -0.45 -0.79 114.94 124.73 1rxj s ASN 105 Ca -0.02 0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 1rxj s ASN 105 Cb -0.17 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1rxj s ASN 105 CO -0.06 -0.01 -0.12 0.42 -1.51 0.00 0.00 177.10 175.81 1rxj s THR 106 N 1.52 1.32 0.16 1.60 -4.23 -0.33 -1.57 115.64 114.11 1rxj s THR 106 Ca 0.07 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1rxj s THR 106 Cb -0.15 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1rxj s THR 106 CO 0.09 -0.58 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.26 1rxj s GLN 107 N -3.25 1.58 0.07 3.99 -0.21 -0.33 -2.21 119.66 119.30 1rxj s GLN 107 Ca 0.14 -1.38 0.01 0.00 0.02 0.00 0.00 55.36 54.15 1rxj s GLN 107 Cb -0.01 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1rxj s GLN 107 CO 0.03 0.43 -0.06 1.67 -2.12 0.00 0.00 175.29 175.24 1rxj s TRP 108 N -1.39 0.72 -0.10 0.91 1.48 0.09 -0.84 118.94 119.81 1rxj s TRP 108 Ca 0.19 -0.84 0.00 0.00 -1.06 0.00 0.00 56.10 54.39 1rxj s TRP 108 Cb -0.09 -0.44 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1rxj s TRP 108 CO 0.09 -0.19 -0.10 -0.51 -4.06 0.00 0.00 176.95 172.18 1rxj s LEU 109 N -2.63 1.37 -0.34 -4.66 1.43 -0.39 -1.89 118.68 111.57 1rxj s LEU 109 Ca 0.05 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1rxj s LEU 109 Cb 0.02 -0.86 0.07 0.00 0.03 0.00 0.00 46.19 45.44 1rxj s LEU 109 CO -0.05 -0.07 0.07 -0.22 0.23 0.00 0.00 176.35 176.32 1rxj s LEU 110 N 1.36 4.36 -0.22 1.79 2.96 0.09 -1.14 118.68 127.89 1rxj s LEU 110 Ca -0.01 -1.51 -0.09 0.00 -0.22 0.00 0.00 54.13 52.29 1rxj s LEU 110 Cb -0.14 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1rxj s LEU 110 CO -0.05 -0.35 0.12 -0.89 -1.32 0.00 0.00 176.35 173.86 1rxj s THR 111 N 1.22 5.14 0.07 3.68 2.01 -0.15 -0.80 115.64 126.81 1rxj s THR 111 Ca -0.00 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1rxj s THR 111 Cb -0.21 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1rxj s THR 111 CO -0.02 0.40 0.42 -0.44 -0.69 0.00 0.00 174.62 174.29 1rxj s SER 112 N 0.76 6.69 0.09 3.53 0.01 -0.06 -1.12 113.70 123.61 1rxj s SER 112 Ca 0.06 0.86 -0.31 0.00 1.31 0.00 0.00 55.95 57.87 1rxj s SER 112 Cb -0.13 -2.20 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 1rxj s SER 112 CO 0.02 0.19 1.58 -0.83 0.41 0.00 0.00 173.24 174.61 1rxj s GLY 113 N -1.64 1.62 0.25 3.44 0.00 -0.48 -4.84 107.32 105.67 1rxj s GLY 113 Ca 0.32 1.21 0.03 0.00 0.00 0.00 0.00 44.72 46.28 1rxj s GLY 113 CO 0.17 2.74 0.03 -0.51 0.00 0.00 0.00 173.10 175.53 1rxj s THR 114 N 2.10 0.91 0.93 0.90 -4.23 -1.26 -5.00 115.64 109.99 1rxj s THR 114 Ca 0.71 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1rxj s THR 114 Cb -0.40 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1rxj s THR 114 CO 0.31 -0.20 1.09 0.42 -0.54 0.00 0.00 174.62 175.70 1rxj s THR 115 N -3.50 2.48 0.30 3.99 -4.23 -1.26 -4.87 115.64 108.54 1rxj s THR 115 Ca 0.32 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1rxj s THR 115 Cb 0.07 -2.61 0.17 0.00 1.34 0.00 0.00 72.50 71.46 1rxj s THR 115 CO 0.11 -0.20 1.85 -0.33 -0.54 0.00 0.00 174.62 175.51 1rxj h GLU 116 N -1.69 0.78 0.00 3.99 5.08 -2.01 -1.99 114.58 118.74 1rxj h GLU 116 Ca -0.51 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 1rxj h GLU 116 Cb 1.30 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1rxj h GLU 116 CO 0.55 0.70 -0.16 0.00 -1.00 0.00 0.00 179.01 179.10 1rxj h ALA 117 N 1.40 1.48 -0.33 3.43 0.00 -2.06 -2.59 119.26 120.59 1rxj h ALA 117 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxj h ALA 117 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rxj h ALA 117 CO -0.01 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.53 1rxj n ASN 118 N -3.97 3.19 0.25 0.00 3.02 -0.94 -4.61 115.26 112.20 1rxj n ASN 118 Ca -0.02 -1.92 0.08 0.00 -0.03 0.00 0.00 54.58 52.69 1rxj n ASN 118 Cb 0.24 -0.21 0.62 0.00 -0.61 0.00 0.00 39.78 39.82 1rxj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rxj h ALA 119 N 3.84 1.62 0.00 5.41 0.00 -0.96 -2.08 119.26 127.09 1rxj h ALA 119 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rxj h ALA 119 Cb 0.88 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rxj h ALA 119 CO 0.00 0.16 -0.04 0.11 0.00 0.00 0.00 179.25 179.47 1rxj h TRP 120 N 0.00 0.00 -0.51 0.00 5.08 -1.81 -2.08 115.95 116.63 1rxj h TRP 120 Ca -0.00 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.70 1rxj h TRP 120 Cb 0.25 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.25 1rxj h TRP 120 CO 0.00 0.04 0.08 0.36 -1.28 0.00 0.00 178.44 177.64 1rxj n LYS 121 N -4.31 1.94 0.23 0.12 2.85 -0.79 -4.70 118.16 113.50 1rxj n LYS 121 Ca -0.03 -3.17 0.12 0.00 -1.05 0.00 0.00 58.31 54.19 1rxj n LYS 121 Cb 0.12 -1.91 0.37 0.00 -0.65 0.00 0.00 35.03 32.97 1rxj n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rxj h SER 122 N 1.01 0.00 -3.20 -5.58 4.64 -1.37 -3.46 113.55 105.60 1rxj h SER 122 Ca 0.32 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.07 1rxj h SER 122 Cb 1.93 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.66 1rxj h SER 122 CO 0.57 0.09 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.91 1rxj s THR 123 N -3.40 1.34 0.20 2.95 2.01 -1.26 -0.88 115.64 116.60 1rxj s THR 123 Ca 0.04 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 1rxj s THR 123 Cb 0.07 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 1rxj s THR 123 CO 0.63 0.36 0.48 -0.76 -0.69 0.00 0.00 174.62 174.64 1rxj s LEU 124 N 1.57 4.20 0.03 4.42 1.43 0.02 -4.92 118.68 125.43 1rxj s LEU 124 Ca 0.04 0.79 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1rxj s LEU 124 Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1rxj s LEU 124 CO -0.09 -0.03 -0.16 0.54 0.23 0.00 0.00 176.35 176.83 1rxj s VAL 125 N -1.76 1.31 0.00 -1.59 0.11 -1.26 -0.73 120.40 116.48 1rxj s VAL 125 Ca 0.45 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1rxj s VAL 125 Cb -0.12 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1rxj s VAL 125 CO 0.23 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1rxj n GLY 126 N 2.09 2.12 3.08 6.54 0.00 -0.79 -4.99 105.19 113.23 1rxj n GLY 126 Ca -0.17 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1rxj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1rxj s HIS 127 N -6.78 -0.32 -0.03 1.61 -3.43 -1.26 -0.74 115.29 104.34 1rxj s HIS 127 Ca 0.00 0.77 0.06 0.00 -0.80 0.00 0.00 55.06 55.09 1rxj s HIS 127 Cb 0.00 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.20 1rxj s HIS 127 CO 0.00 -0.21 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.81 1rxj s ASP 128 N 0.99 2.46 -0.17 7.38 1.01 -0.94 -4.99 116.67 122.41 1rxj s ASP 128 Ca -0.07 -0.39 -0.03 0.00 0.71 0.00 0.00 52.55 52.77 1rxj s ASP 128 Cb -0.08 -0.41 -0.02 0.00 1.01 0.00 0.00 42.92 43.42 1rxj s ASP 128 CO -0.06 0.23 -0.06 -0.89 0.21 0.00 0.00 175.17 174.60 1rxj s THR 129 N -0.34 3.58 -0.09 -1.27 2.01 -1.26 -1.18 115.64 117.08 1rxj s THR 129 Ca 0.04 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1rxj s THR 129 Cb -0.09 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1rxj s THR 129 CO 0.00 0.48 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.05 1rxj s PHE 130 N 0.66 3.13 0.18 4.92 0.40 0.02 -3.32 117.98 123.98 1rxj s PHE 130 Ca -0.03 0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 1rxj s PHE 130 Cb -0.15 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 1rxj s PHE 130 CO 0.02 0.44 -0.12 0.95 0.70 0.00 0.00 175.22 177.21 1rxj s THR 131 N -0.83 1.46 -0.78 0.64 -4.23 0.05 -1.16 115.64 110.79 1rxj s THR 131 Ca 0.13 -2.14 0.27 0.00 -1.18 0.00 0.00 61.69 58.76 1rxj s THR 131 Cb -0.11 -1.96 0.28 0.00 1.34 0.00 0.00 72.50 72.04 1rxj s THR 131 CO 0.02 -0.66 1.80 0.29 -0.54 0.00 0.00 174.62 175.53 1rxj n LYS 132 N -0.30 0.21 0.00 3.99 5.02 -1.26 -1.16 118.16 124.67 1rxj n LYS 132 Ca -0.09 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.43 1rxj n LYS 132 Cb 0.61 -1.75 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1rxj n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16