#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 1.28 -2.48 -0.61 2.04 -1.97 -3.44 117.51 112.33 1rxj h ILE 17 Ca 0.00 -1.44 -0.56 0.00 1.00 0.00 0.00 64.86 63.86 1rxj h ILE 17 Cb 0.00 1.33 0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1rxj h ILE 17 CO 0.00 0.48 0.83 0.41 0.00 0.00 0.00 178.15 179.88 1rxj n THR 18 N -4.16 0.17 -1.64 -0.27 -1.04 -1.26 -4.82 114.28 101.26 1rxj n THR 18 Ca -0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1rxj n THR 18 Cb 0.48 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 3.32 0.09 3.49 3.41 0.00 -0.50 -5.00 105.19 109.99 1rxj n GLY 19 Ca 0.16 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.52 4.12 0.21 2.61 2.01 -1.26 -1.42 115.64 119.39 1rxj s THR 20 Ca 0.00 -0.26 0.11 0.00 0.31 0.00 0.00 61.69 61.84 1rxj s THR 20 Cb 0.00 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 1rxj s THR 20 CO 0.00 0.44 -0.21 0.26 -0.69 0.00 0.00 174.62 174.42 1rxj s TRP 21 N 0.79 2.14 -0.01 4.92 0.52 0.60 -4.44 118.94 123.46 1rxj s TRP 21 Ca 0.01 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1rxj s TRP 21 Cb -0.14 -1.01 -0.00 0.00 -1.15 0.00 0.00 33.47 31.17 1rxj s TRP 21 CO 0.02 0.52 -0.07 0.71 0.02 0.00 0.00 176.95 178.15 1rxj s TYR 22 N -2.12 0.70 0.58 -1.98 2.02 0.18 -0.80 117.35 115.93 1rxj s TYR 22 Ca 0.23 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.83 1rxj s TYR 22 Cb -0.06 -0.49 0.10 0.00 -0.40 0.00 0.00 41.96 41.12 1rxj s TYR 22 CO 0.10 -0.05 0.79 0.27 -1.57 0.00 0.00 175.55 175.10 1rxj n ASN 23 N 3.11 1.63 0.29 2.29 0.23 -1.01 -1.53 115.26 120.28 1rxj n ASN 23 Ca -0.16 -2.24 0.16 0.00 -0.53 0.00 0.00 54.58 51.81 1rxj n ASN 23 Cb 0.56 -0.46 0.87 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 0.00 -3.83 -0.00 -1.90 -0.57 115.11 108.81 1rxj h GLN 24 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1rxj h GLN 24 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1rxj h GLN 24 CO 0.34 0.06 -0.04 1.28 -0.00 0.00 0.00 178.83 180.46 1rxj n LEU 25 N -3.44 0.48 0.00 0.06 4.77 -1.26 -4.93 117.00 112.68 1rxj n LEU 25 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1rxj n LEU 25 Cb 0.19 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1rxj n LEU 25 CO 0.27 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1rxj n GLY 26 N 1.39 0.67 3.77 -0.72 0.00 -0.22 -4.68 105.19 105.40 1rxj n GLY 26 Ca 0.06 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.14 5.29 -0.18 1.61 0.01 -1.26 -4.58 113.70 112.45 1rxj s SER 27 Ca 0.00 2.09 -0.01 0.00 1.31 0.00 0.00 55.95 59.34 1rxj s SER 27 Cb 0.00 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1rxj s SER 27 CO 0.00 -1.51 -0.11 -0.89 0.41 0.00 0.00 173.24 171.13 1rxj s THR 28 N -2.09 2.90 -0.31 1.44 2.01 0.00 -2.39 115.64 117.20 1rxj s THR 28 Ca 0.70 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1rxj s THR 28 Cb -0.22 -2.26 0.08 0.00 0.01 0.00 0.00 72.50 70.10 1rxj s THR 28 CO 0.36 0.49 0.00 0.12 -0.69 0.00 0.00 174.62 174.90 1rxj s PHE 29 N 1.07 3.46 -0.26 4.92 5.36 0.02 -0.88 117.98 131.67 1rxj s PHE 29 Ca -0.00 -2.45 -0.07 0.00 -0.96 0.00 0.00 56.93 53.45 1rxj s PHE 29 Cb -0.15 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.08 1rxj s PHE 29 CO -0.03 -0.90 0.07 0.42 -1.46 0.00 0.00 175.22 173.32 1rxj s ILE 30 N 1.08 4.12 0.02 3.12 1.01 -0.34 -0.29 121.20 129.91 1rxj s ILE 30 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1rxj s ILE 30 Cb -0.20 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 1rxj s ILE 30 CO -0.05 0.25 -0.04 0.54 0.00 0.00 0.00 174.94 175.64 1rxj s VAL 31 N 1.57 0.25 -0.10 2.92 0.11 -0.51 -0.98 120.40 123.65 1rxj s VAL 31 Ca 0.05 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1rxj s VAL 31 Cb -0.16 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1rxj s VAL 31 CO 0.03 -0.29 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.43 1rxj s THR 32 N -0.97 1.76 -0.42 5.04 2.01 0.38 -1.42 115.64 122.03 1rxj s THR 32 Ca -0.09 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 1rxj s THR 32 Cb -0.07 -1.56 0.06 0.00 0.01 0.00 0.00 72.50 70.94 1rxj s THR 32 CO -0.00 0.49 0.28 0.00 -0.69 0.00 0.00 174.62 174.70 1rxj s ALA 33 N 0.65 3.36 0.64 7.40 0.00 -1.26 -2.04 121.76 130.51 1rxj s ALA 33 Ca -0.13 -2.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.71 1rxj s ALA 33 Cb -0.16 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1rxj s ALA 33 CO 0.03 -1.59 1.05 0.20 0.00 0.00 0.00 175.76 175.45 1rxj s GLY 34 N 2.05 1.81 0.56 0.00 0.00 0.16 -4.87 107.32 107.03 1rxj s GLY 34 Ca 0.03 0.14 0.24 0.00 0.00 0.00 0.00 44.72 45.13 1rxj s GLY 34 CO 0.05 0.44 2.20 0.00 0.00 0.00 0.00 173.10 175.79 1rxj h ALA 35 N -0.23 1.77 -0.00 3.20 0.00 -1.98 -2.25 119.26 119.77 1rxj h ALA 35 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rxj h ALA 35 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rxj h ALA 35 CO 0.58 -0.03 -0.21 -0.40 0.00 0.00 0.00 179.25 179.18 1rxj n ASP 36 N -4.16 0.47 0.00 0.00 3.85 -1.26 -4.91 116.55 110.54 1rxj n ASP 36 Ca -0.02 -0.33 0.00 0.00 -0.71 0.00 0.00 54.79 53.73 1rxj n ASP 36 Cb 0.11 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1rxj n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rxj n GLY 37 N 1.39 0.90 3.76 6.12 0.00 -0.85 -4.92 105.19 111.59 1rxj n GLY 37 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.37 -0.11 4.61 0.00 -1.26 -1.15 121.76 125.22 1rxj s ALA 38 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1rxj s ALA 38 Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1rxj s ALA 38 CO 0.00 0.19 -0.06 -0.51 0.00 0.00 0.00 175.76 175.38 1rxj s LEU 39 N -0.88 3.16 -0.03 0.00 1.43 -0.10 -0.67 118.68 121.60 1rxj s LEU 39 Ca 0.40 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1rxj s LEU 39 Cb -0.24 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1rxj s LEU 39 CO 0.29 0.25 0.12 -0.89 0.23 0.00 0.00 176.35 176.35 1rxj s THR 40 N -0.15 0.04 -4.83 5.49 2.01 -0.87 -1.12 115.64 116.21 1rxj s THR 40 Ca 0.02 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1rxj s THR 40 Cb -0.13 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1rxj s THR 40 CO 0.03 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1rxj n GLY 41 N 2.40 -0.50 3.09 4.40 0.00 -1.13 -0.47 105.19 112.98 1rxj n GLY 41 Ca -0.17 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.81 0.47 -0.03 2.61 -4.23 -0.15 -1.90 115.64 108.59 1rxj s THR 42 Ca 0.00 -1.44 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1rxj s THR 42 Cb 0.00 -1.04 -0.00 0.00 1.34 0.00 0.00 72.50 72.80 1rxj s THR 42 CO 0.00 -0.66 -0.13 -0.47 -0.54 0.00 0.00 174.62 172.82 1rxj s TYR 43 N -2.52 1.29 -0.20 3.99 6.14 0.13 -1.20 117.35 124.98 1rxj s TYR 43 Ca -0.01 -0.34 -0.01 0.00 0.64 0.00 0.00 57.07 57.36 1rxj s TYR 43 Cb -0.02 -0.89 0.05 0.00 0.42 0.00 0.00 41.96 41.52 1rxj s TYR 43 CO -0.03 -0.12 -0.04 -2.00 0.64 0.00 0.00 175.55 174.01 1rxj s GLU 44 N 0.07 1.35 0.07 4.97 2.12 -0.06 -0.79 118.70 126.43 1rxj s GLU 44 Ca -0.02 -0.67 -0.28 0.00 0.36 0.00 0.00 54.97 54.36 1rxj s GLU 44 Cb -0.09 -2.24 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 1rxj s GLU 44 CO 0.01 -0.53 0.87 0.45 -0.54 0.00 0.00 175.26 175.52 1rxj s SER 45 N 1.59 7.35 -1.17 -1.70 0.15 -1.26 -0.82 113.70 117.84 1rxj s SER 45 Ca -0.02 1.62 -0.19 0.00 0.70 0.00 0.00 55.95 58.06 1rxj s SER 45 Cb -0.17 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1rxj s SER 45 CO -0.07 -0.04 1.99 0.00 1.20 0.00 0.00 173.24 176.31 1rxj n ALA 46 N 2.88 3.81 -0.69 5.45 0.00 -1.26 -4.95 120.51 125.76 1rxj n ALA 46 Ca 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 53.44 49.84 1rxj n ALA 46 Cb 0.50 -3.57 0.04 0.00 0.00 0.00 0.00 19.45 16.41 1rxj n ALA 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1rxj n LYS 52 N 7.22 -0.66 -3.02 0.00 0.00 -1.26 -5.01 118.16 115.42 1rxj n LYS 52 Ca 0.49 -0.20 -0.34 0.00 0.00 0.00 0.00 58.31 58.27 1rxj n LYS 52 Cb 0.42 -1.13 -0.06 0.00 0.00 0.00 0.00 35.03 34.26 1rxj n LYS 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1rxj s ARG 53 N -2.42 4.17 0.07 1.64 0.52 -1.26 -4.60 118.95 117.06 1rxj s ARG 53 Ca 0.10 0.88 0.09 0.00 -0.52 0.00 0.00 55.73 56.29 1rxj s ARG 53 Cb -0.01 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1rxj s ARG 53 CO 0.10 0.18 -0.25 0.71 0.02 0.00 0.00 175.30 176.05 1rxj s TYR 54 N -1.90 2.15 0.31 -0.53 1.51 0.03 -4.86 117.35 114.06 1rxj s TYR 54 Ca 0.53 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 1rxj s TYR 54 Cb -0.12 -1.25 -0.10 0.00 -0.11 0.00 0.00 41.96 40.38 1rxj s TYR 54 CO 0.18 0.17 1.29 0.08 -1.11 0.00 0.00 175.55 176.16 1rxj s VAL 55 N -0.89 2.85 0.10 0.71 1.01 -1.26 -0.70 120.40 122.22 1rxj s VAL 55 Ca 0.11 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.99 1rxj s VAL 55 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1rxj s VAL 55 CO 0.03 0.19 -0.20 -1.48 0.00 0.00 0.00 175.10 173.64 1rxj s LEU 56 N -1.49 2.30 0.04 3.92 0.05 -0.80 -4.33 118.68 118.37 1rxj s LEU 56 Ca 0.50 -0.68 0.00 0.00 0.05 0.00 0.00 54.13 54.00 1rxj s LEU 56 Cb -0.39 -0.82 -0.03 0.00 -2.05 0.00 0.00 46.19 42.91 1rxj s LEU 56 CO 0.49 0.03 -0.05 0.42 -0.55 0.00 0.00 176.35 176.70 1rxj s THR 57 N -1.20 0.31 0.00 5.48 -4.23 -1.08 -2.85 115.64 112.07 1rxj s THR 57 Ca 0.05 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1rxj s THR 57 Cb -0.10 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1rxj s THR 57 CO 0.04 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1rxj n GLY 58 N 0.99 1.69 3.05 3.99 0.00 -0.27 -1.27 105.19 113.37 1rxj n GLY 58 Ca -0.20 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.50 0.47 0.07 1.61 1.81 -0.48 -0.92 118.95 121.01 1rxj s ARG 59 Ca 0.00 -0.78 -0.05 0.00 -1.72 0.00 0.00 55.73 53.18 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 -0.09 0.09 1.52 -0.68 0.00 0.00 175.30 176.14 1rxj s TYR 60 N -2.34 0.31 -0.48 -0.53 1.13 -0.30 -1.32 117.35 113.82 1rxj s TYR 60 Ca -0.08 -0.80 -0.28 0.00 -1.41 0.00 0.00 57.07 54.51 1rxj s TYR 60 Cb -0.03 -0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.64 1rxj s TYR 60 CO -0.04 -0.47 1.38 0.34 -2.51 0.00 0.00 175.55 174.26 1rxj s ASP 61 N -2.88 6.28 0.00 -0.18 2.15 -0.44 -4.57 116.67 117.03 1rxj s ASP 61 Ca 0.06 0.57 0.30 0.00 0.43 0.00 0.00 52.55 53.91 1rxj s ASP 61 Cb 0.06 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.63 1rxj s ASP 61 CO -0.11 -1.53 2.00 -1.54 -0.17 0.00 0.00 175.17 173.82 1rxj n SER 62 N 9.04 0.54 -3.19 -0.34 3.41 -1.26 -4.00 113.62 117.81 1rxj n SER 62 Ca 0.14 -1.01 -0.24 0.00 -0.26 0.00 0.00 58.87 57.50 1rxj n SER 62 Cb 0.49 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.66 2.42 -1.04 7.33 0.00 -1.26 -5.03 120.51 122.26 1rxj n ALA 63 Ca 0.20 -3.41 -0.30 0.00 0.00 0.00 0.00 53.44 49.93 1rxj n ALA 63 Cb 0.22 -0.82 0.15 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.24 1.16 0.75 0.00 0.04 -1.26 -4.98 135.00 129.47 1rxj s PRO 64 Ca 0.35 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 1rxj s PRO 64 Cb 0.18 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.97 1rxj s PRO 64 CO -0.11 -2.37 1.09 0.00 0.04 0.00 0.00 177.00 175.66 1rxj n ALA 65 N -4.00 0.01 -1.14 8.56 0.00 -1.26 -4.93 120.51 117.74 1rxj n ALA 65 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 1rxj n ALA 65 Cb 0.54 -2.19 0.26 0.00 0.00 0.00 0.00 19.45 18.06 1rxj n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxj n THR 66 N -2.72 2.58 -0.49 0.00 -2.24 -1.26 -4.62 114.28 105.53 1rxj n THR 66 Ca 0.14 -2.05 0.09 0.00 -2.27 0.00 0.00 64.05 59.95 1rxj n THR 66 Cb 0.50 -0.31 0.28 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.60 3.94 0.00 3.42 5.68 -1.26 -4.92 116.55 122.82 1rxj n ASP 67 Ca 0.32 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1rxj n ASP 67 Cb 1.10 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1rxj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rxj n GLY 68 N 0.81 0.58 3.83 6.12 0.00 -1.26 -5.08 105.19 110.18 1rxj n GLY 68 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.95 6.13 1.04 1.61 0.01 -1.26 -5.02 113.70 113.26 1rxj s SER 69 Ca 0.00 1.65 -0.16 0.00 1.31 0.00 0.00 55.95 58.75 1rxj s SER 69 Cb 0.00 -2.51 0.22 0.00 0.21 0.00 0.00 66.02 63.93 1rxj s SER 69 CO 0.00 -0.93 1.19 -0.83 0.41 0.00 0.00 173.24 173.09 1rxj s GLY 70 N -3.15 1.65 -0.31 3.44 0.00 -1.26 -4.82 107.32 102.87 1rxj s GLY 70 Ca 0.60 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 44.31 1rxj s GLY 70 CO 0.38 -0.17 0.13 -1.59 0.00 0.00 0.00 173.10 171.85 1rxj s THR 71 N -3.40 4.36 0.38 0.90 2.01 0.14 -4.75 115.64 115.28 1rxj s THR 71 Ca 0.70 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 1rxj s THR 71 Cb -0.09 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1rxj s THR 71 CO 0.54 0.05 1.24 0.00 -0.69 0.00 0.00 174.62 175.77 1rxj s ALA 72 N 1.57 3.29 0.23 7.40 0.00 -1.26 -0.67 121.76 132.32 1rxj s ALA 72 Ca 0.04 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 1rxj s ALA 72 Cb -0.17 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1rxj s ALA 72 CO 0.05 -0.63 0.64 -0.48 0.00 0.00 0.00 175.76 175.33 1rxj s LEU 73 N -2.22 -0.27 0.07 0.00 2.34 -0.49 -1.33 118.68 116.78 1rxj s LEU 73 Ca 0.54 -0.41 -0.26 0.00 0.06 0.00 0.00 54.13 54.06 1rxj s LEU 73 Cb -0.36 2.55 0.08 0.00 -0.56 0.00 0.00 46.19 47.90 1rxj s LEU 73 CO 0.46 -1.17 0.68 -0.83 -1.06 0.00 0.00 176.35 174.43 1rxj s GLY 74 N -2.86 -0.57 0.18 -3.48 0.00 -0.43 -1.28 107.32 98.88 1rxj s GLY 74 Ca 0.08 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 45.50 1rxj s GLY 74 CO -0.01 0.41 0.40 0.66 0.00 0.00 0.00 173.10 174.56 1rxj s TRP 75 N -2.95 0.17 -0.01 1.90 -2.14 -0.45 -1.38 118.94 114.07 1rxj s TRP 75 Ca -0.01 -0.52 0.05 0.00 2.66 0.00 0.00 56.10 58.27 1rxj s TRP 75 Cb -0.01 0.16 -0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1rxj s TRP 75 CO -0.06 -0.82 -0.16 0.99 -2.66 0.00 0.00 176.95 174.23 1rxj s THR 76 N -3.93 1.25 -0.14 0.66 2.01 -0.40 -0.94 115.64 114.16 1rxj s THR 76 Ca 0.14 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1rxj s THR 76 Cb 0.01 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1rxj s THR 76 CO -0.01 0.35 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.38 1rxj s VAL 77 N -0.35 1.99 -0.14 3.82 1.01 -0.26 -2.63 120.40 123.84 1rxj s VAL 77 Ca 0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 1rxj s VAL 77 Cb -0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1rxj s VAL 77 CO -0.00 0.54 0.52 0.00 0.00 0.00 0.00 175.10 176.15 1rxj s ALA 78 N 0.90 3.48 -0.14 5.51 0.00 -1.26 -0.74 121.76 129.52 1rxj s ALA 78 Ca -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1rxj s ALA 78 Cb -0.15 -2.74 -0.15 0.00 0.00 0.00 0.00 23.12 20.08 1rxj s ALA 78 CO -0.03 -0.16 3.29 0.91 0.00 0.00 0.00 175.76 179.76 1rxj n TRP 79 N 4.07 0.50 -4.93 0.00 7.02 -0.15 -4.73 117.44 119.22 1rxj n TRP 79 Ca -0.06 -1.62 -0.31 0.00 -1.02 0.00 0.00 57.50 54.49 1rxj n TRP 79 Cb 0.51 -1.48 -0.17 0.00 -2.42 0.00 0.00 31.31 27.75 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 0.11 2.84 0.00 -0.99 2.20 -1.26 -1.22 119.74 121.41 1rxj s LYS 80 Ca 0.62 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1rxj s LYS 80 Cb 0.33 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1rxj s LYS 80 CO -0.07 0.09 0.00 0.27 -0.36 0.00 0.00 175.35 175.28 1rxj n ASN 81 N 3.77 0.46 0.28 1.43 0.23 -0.34 -4.76 115.26 116.34 1rxj n ASN 81 Ca -0.20 -0.35 0.15 0.00 -0.53 0.00 0.00 54.58 53.66 1rxj n ASN 81 Cb 0.52 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.07 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 -3.29 115.58 110.55 1rxj h ASN 82 Ca 0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.42 1rxj h ASN 82 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.20 1rxj h ASN 82 CO 0.00 0.06 -2.22 -1.22 -1.06 0.00 0.00 177.43 172.99 1rxj n TYR 83 N -3.61 0.00 -3.74 1.19 4.01 -1.26 -5.05 117.16 108.70 1rxj n TYR 83 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 1rxj n TYR 83 Cb 0.17 -0.87 -0.07 0.00 -0.31 0.00 0.00 39.34 38.25 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 -2.46 0.79 -0.20 -0.72 1.81 -1.24 -5.13 118.95 111.79 1rxj s ARG 84 Ca -0.09 -0.40 -0.04 0.00 -1.72 0.00 0.00 55.73 53.48 1rxj s ARG 84 Cb 0.06 0.35 0.09 0.00 -0.45 0.00 0.00 34.95 34.99 1rxj s ARG 84 CO 0.74 -0.25 0.18 1.21 -0.68 0.00 0.00 175.30 176.50 1rxj s ASN 85 N -1.86 1.78 0.00 0.23 3.84 -1.26 -1.19 114.94 116.48 1rxj s ASN 85 Ca -0.07 -0.41 0.29 0.00 0.21 0.00 0.00 52.86 52.88 1rxj s ASN 85 Cb -0.02 0.16 1.26 0.00 -0.55 0.00 0.00 41.25 42.10 1rxj s ASN 85 CO -0.01 -0.34 1.87 0.00 -2.79 0.00 0.00 177.10 175.83 1rxj n ALA 86 N 5.30 2.74 -3.60 1.71 0.00 -0.36 -4.96 120.51 121.35 1rxj n ALA 86 Ca -0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 53.44 52.84 1rxj n ALA 86 Cb 0.49 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.80 -2.02 -3.65 0.00 -0.00 -1.26 -4.86 115.22 102.62 1rxj n HIS 87 Ca 0.16 0.64 -0.09 0.00 -0.00 0.00 0.00 57.72 58.44 1rxj n HIS 87 Cb 0.27 -3.83 -0.02 0.00 -0.00 0.00 0.00 29.99 26.42 1rxj n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1rxj s SER 88 N -3.70 -0.38 -0.11 0.41 1.04 -1.26 -1.30 113.70 108.40 1rxj s SER 88 Ca 0.34 -0.30 -0.09 0.00 0.48 0.00 0.00 55.95 56.38 1rxj s SER 88 Cb -0.10 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1rxj s SER 88 CO 0.82 -1.09 0.28 0.00 0.98 0.00 0.00 173.24 174.23 1rxj s ALA 89 N -3.72 -0.70 -0.08 5.32 0.00 -0.22 -0.98 121.76 121.39 1rxj s ALA 89 Ca 0.07 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1rxj s ALA 89 Cb -0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1rxj s ALA 89 CO -0.03 -0.14 -0.11 0.99 0.00 0.00 0.00 175.76 176.47 1rxj s THR 90 N 0.27 3.33 -0.09 0.00 2.01 0.08 -0.83 115.64 120.41 1rxj s THR 90 Ca -0.01 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1rxj s THR 90 Cb -0.03 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1rxj s THR 90 CO -0.01 0.58 -0.16 0.42 -0.69 0.00 0.00 174.62 174.76 1rxj s THR 91 N -0.50 2.80 -0.17 -0.82 -4.23 -0.24 -1.10 115.64 111.38 1rxj s THR 91 Ca 0.07 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1rxj s THR 91 Cb -0.12 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 1rxj s THR 91 CO 0.02 0.55 0.01 0.26 -0.54 0.00 0.00 174.62 174.92 1rxj s TRP 92 N -0.02 3.14 -0.10 3.99 0.51 -0.11 -1.28 118.94 125.07 1rxj s TRP 92 Ca -0.05 -0.11 0.03 0.00 -2.12 0.00 0.00 56.10 53.86 1rxj s TRP 92 Cb -0.14 -2.01 0.01 0.00 -0.81 0.00 0.00 33.47 30.51 1rxj s TRP 92 CO 0.04 0.07 -0.19 0.45 -0.51 0.00 0.00 176.95 176.81 1rxj s SER 93 N 0.34 2.63 0.00 2.95 0.15 0.15 -1.35 113.70 118.58 1rxj s SER 93 Ca -0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1rxj s SER 93 Cb -0.13 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1rxj s SER 93 CO 0.02 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1rxj n GLY 94 N 3.75 1.66 3.07 9.45 0.00 -0.40 -1.20 105.19 121.51 1rxj n GLY 94 Ca -0.20 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 1.21 0.32 -0.05 1.61 -2.07 -0.70 -1.40 119.66 118.58 1rxj s GLN 95 Ca 0.00 -0.08 -0.27 0.00 -1.82 0.00 0.00 55.36 53.19 1rxj s GLN 95 Cb 0.00 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 1rxj s GLN 95 CO 0.00 -0.06 0.86 -0.47 -1.32 0.00 0.00 175.29 174.30 1rxj s TYR 96 N -0.61 3.60 -0.32 9.60 5.04 0.16 -1.72 117.35 133.11 1rxj s TYR 96 Ca -0.07 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.08 1rxj s TYR 96 Cb -0.04 -3.00 0.09 0.00 0.35 0.00 0.00 41.96 39.36 1rxj s TYR 96 CO 0.01 -0.01 0.00 0.08 -1.34 0.00 0.00 175.55 174.29 1rxj s VAL 97 N 1.09 2.25 0.36 3.14 1.01 0.83 -0.69 120.40 128.40 1rxj s VAL 97 Ca 0.45 -2.12 -0.28 0.00 0.00 0.00 0.00 61.98 60.03 1rxj s VAL 97 Cb -0.19 -2.56 -0.12 0.00 0.00 0.00 0.00 36.38 33.51 1rxj s VAL 97 CO 0.22 -0.42 1.38 0.61 0.00 0.00 0.00 175.10 176.89 1rxj n GLY 98 N 4.31 0.86 3.91 4.51 0.00 -1.26 -1.75 105.19 115.76 1rxj n GLY 98 Ca -0.02 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.33 1rxj n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rxj s GLY 99 N -0.24 -0.13 0.25 -0.02 0.00 -1.26 -4.90 107.32 101.02 1rxj s GLY 99 Ca 0.55 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1rxj s GLY 99 CO 0.63 4.16 1.72 0.00 0.00 0.00 0.00 173.10 179.61 1rxj h ALA 100 N 2.00 1.06 -3.31 3.20 0.00 -2.06 -3.15 119.26 117.01 1rxj h ALA 100 Ca -0.24 0.13 -0.68 0.00 0.00 0.00 0.00 54.91 54.12 1rxj h ALA 100 Cb 1.19 0.12 -0.37 0.00 0.00 0.00 0.00 17.79 18.74 1rxj h ALA 100 CO 0.32 -0.25 -0.56 -1.21 0.00 0.00 0.00 179.25 177.55 1rxj s GLU 101 N -6.02 2.00 0.48 0.00 2.02 -1.26 -5.10 118.70 110.81 1rxj s GLU 101 Ca -0.12 -2.10 -0.24 0.00 0.02 0.00 0.00 54.97 52.53 1rxj s GLU 101 Cb 0.21 -3.49 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 1rxj s GLU 101 CO 0.76 -1.07 1.36 0.00 0.02 0.00 0.00 175.26 176.33 1rxj s ALA 102 N 0.63 3.08 0.06 5.21 0.00 -1.19 -4.98 121.76 124.56 1rxj s ALA 102 Ca 0.12 1.33 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1rxj s ALA 102 Cb -0.22 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1rxj s ALA 102 CO -0.04 -1.14 -0.14 1.03 0.00 0.00 0.00 175.76 175.47 1rxj s ARG 103 N -2.59 0.81 -0.26 0.00 1.81 -0.72 -4.41 118.95 113.60 1rxj s ARG 103 Ca 0.64 -0.89 0.01 0.00 -1.72 0.00 0.00 55.73 53.77 1rxj s ARG 103 Cb -0.40 -0.80 0.05 0.00 -0.45 0.00 0.00 34.95 33.34 1rxj s ARG 103 CO 0.50 0.18 -0.08 0.42 -0.68 0.00 0.00 175.30 175.64 1rxj s ILE 104 N -1.19 2.47 -0.23 1.52 1.01 -0.38 -0.12 121.20 124.29 1rxj s ILE 104 Ca -0.02 -1.42 -0.11 0.00 0.00 0.00 0.00 60.65 59.09 1rxj s ILE 104 Cb -0.09 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1rxj s ILE 104 CO 0.02 0.03 0.19 0.20 0.00 0.00 0.00 174.94 175.39 1rxj s ASN 105 N 1.19 6.18 0.13 3.58 0.01 -0.70 -0.42 114.94 124.91 1rxj s ASN 105 Ca -0.06 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.33 1rxj s ASN 105 Cb -0.19 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1rxj s ASN 105 CO -0.05 0.06 -0.10 0.42 -1.51 0.00 0.00 177.10 175.93 1rxj s THR 106 N 0.99 1.06 0.15 1.60 -4.23 -0.23 -1.73 115.64 113.26 1rxj s THR 106 Ca 0.09 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1rxj s THR 106 Cb -0.13 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1rxj s THR 106 CO 0.04 -0.72 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.05 1rxj s GLN 107 N -3.55 1.49 0.07 3.99 -0.21 -0.34 -2.15 119.66 118.95 1rxj s GLN 107 Ca 0.14 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 54.15 1rxj s GLN 107 Cb 0.02 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.08 1rxj s GLN 107 CO -0.00 0.44 -0.06 1.67 -2.12 0.00 0.00 175.29 175.22 1rxj s TRP 108 N -1.24 0.72 -0.11 0.91 1.48 0.00 -0.67 118.94 120.03 1rxj s TRP 108 Ca 0.16 -0.81 0.01 0.00 -1.06 0.00 0.00 56.10 54.40 1rxj s TRP 108 Cb -0.10 -0.44 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1rxj s TRP 108 CO 0.08 -0.18 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.16 1rxj s LEU 109 N -2.53 1.53 -0.34 -4.66 1.43 -0.40 -1.92 118.68 111.80 1rxj s LEU 109 Ca 0.03 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1rxj s LEU 109 Cb 0.01 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.31 1rxj s LEU 109 CO -0.04 -0.04 0.07 -0.22 0.23 0.00 0.00 176.35 176.35 1rxj s LEU 110 N 1.26 4.36 -0.22 1.79 2.96 0.05 -1.08 118.68 127.81 1rxj s LEU 110 Ca -0.02 -1.49 -0.09 0.00 -0.22 0.00 0.00 54.13 52.31 1rxj s LEU 110 Cb -0.14 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 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 1.24 5.12 0.04 3.68 2.01 -0.01 -0.83 115.64 126.89 1rxj s THR 111 Ca -0.01 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 1rxj s THR 111 Cb -0.21 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1rxj s THR 111 CO -0.02 0.40 0.38 -0.44 -0.69 0.00 0.00 174.62 174.25 1rxj s SER 112 N 0.75 6.68 0.14 3.53 0.01 -0.16 -1.05 113.70 123.60 1rxj s SER 112 Ca 0.06 0.82 -0.31 0.00 1.31 0.00 0.00 55.95 57.83 1rxj s SER 112 Cb -0.13 -2.19 -0.10 0.00 0.21 0.00 0.00 66.02 63.81 1rxj s SER 112 CO 0.02 0.25 1.64 -0.83 0.41 0.00 0.00 173.24 174.72 1rxj s GLY 113 N -1.47 1.49 0.19 3.44 0.00 -0.42 -4.83 107.32 105.72 1rxj s GLY 113 Ca 0.28 1.36 0.01 0.00 0.00 0.00 0.00 44.72 46.37 1rxj s GLY 113 CO 0.15 2.79 0.04 -0.51 0.00 0.00 0.00 173.10 175.57 1rxj s THR 114 N 1.74 0.52 0.95 0.90 -4.23 -1.26 -5.00 115.64 109.25 1rxj s THR 114 Ca 0.73 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1rxj s THR 114 Cb -0.44 -2.26 0.16 0.00 1.34 0.00 0.00 72.50 71.30 1rxj s THR 114 CO 0.32 -0.33 1.09 0.42 -0.54 0.00 0.00 174.62 175.58 1rxj s THR 115 N -3.77 2.43 0.28 3.99 -4.23 -1.26 -4.86 115.64 108.22 1rxj s THR 115 Ca 0.28 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1rxj s THR 115 Cb 0.07 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.51 1rxj s THR 115 CO 0.06 -0.18 1.85 -0.33 -0.54 0.00 0.00 174.62 175.49 1rxj h GLU 116 N -1.74 0.89 -0.09 3.99 4.39 -2.01 -1.91 114.58 118.09 1rxj h GLU 116 Ca -0.52 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.01 1rxj h GLU 116 Cb 1.30 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1rxj h GLU 116 CO 0.55 0.75 -0.07 0.00 -1.16 0.00 0.00 179.01 179.07 1rxj h ALA 117 N 1.37 1.72 -0.43 3.43 0.00 -2.06 -2.48 119.26 120.80 1rxj h ALA 117 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rxj h ALA 117 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rxj h ALA 117 CO -0.01 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.54 1rxj n ASN 118 N -4.38 3.52 0.24 0.00 3.02 -0.86 -4.58 115.26 112.22 1rxj n ASN 118 Ca -0.01 -1.99 0.08 0.00 -0.03 0.00 0.00 54.58 52.62 1rxj n ASN 118 Cb 0.19 -0.28 0.59 0.00 -0.61 0.00 0.00 39.78 39.68 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 4.43 1.61 0.00 5.41 0.00 -0.88 -1.92 119.26 127.91 1rxj h ALA 119 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rxj h ALA 119 Cb 0.99 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1rxj h ALA 119 CO 0.00 0.18 -0.02 0.11 0.00 0.00 0.00 179.25 179.52 1rxj h TRP 120 N 0.00 0.00 -0.49 0.00 5.08 -1.81 -2.15 115.95 116.58 1rxj h TRP 120 Ca -0.00 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.73 1rxj h TRP 120 Cb 0.28 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.30 1rxj h TRP 120 CO 0.00 0.02 0.08 0.36 -1.28 0.00 0.00 178.44 177.63 1rxj n LYS 121 N -4.43 2.04 0.22 0.12 2.85 -0.73 -4.68 118.16 113.55 1rxj n LYS 121 Ca -0.03 -3.13 0.11 0.00 -1.05 0.00 0.00 58.31 54.20 1rxj n LYS 121 Cb 0.11 -1.91 0.32 0.00 -0.65 0.00 0.00 35.03 32.91 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 1.10 0.00 -3.28 -5.58 4.64 -1.37 -3.46 113.55 105.60 1rxj h SER 122 Ca 0.30 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.02 1rxj h SER 122 Cb 1.92 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.64 1rxj h SER 122 CO 0.54 0.17 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.96 1rxj s THR 123 N -3.37 1.53 0.25 2.95 2.01 -1.26 -0.98 115.64 116.77 1rxj s THR 123 Ca 0.03 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1rxj s THR 123 Cb 0.08 -1.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.96 1rxj s THR 123 CO 0.65 0.29 0.59 -0.76 -0.69 0.00 0.00 174.62 174.70 1rxj s LEU 124 N 1.47 4.14 0.02 4.42 1.43 -0.01 -4.91 118.68 125.25 1rxj s LEU 124 Ca 0.02 1.01 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 1rxj s LEU 124 Cb -0.15 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 1rxj s LEU 124 CO -0.09 -0.10 -0.16 0.54 0.23 0.00 0.00 176.35 176.77 1rxj s VAL 125 N -1.85 1.26 0.00 -1.59 0.11 -1.26 -0.77 120.40 116.30 1rxj s VAL 125 Ca 0.49 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1rxj s VAL 125 Cb -0.11 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1rxj s VAL 125 CO 0.20 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1rxj n GLY 126 N 2.18 2.26 3.09 6.54 0.00 -0.81 -4.99 105.19 113.46 1rxj n GLY 126 Ca -0.16 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -6.13 -0.37 -0.05 1.61 -3.43 -1.26 -0.82 115.29 104.85 1rxj s HIS 127 Ca 0.00 0.85 0.05 0.00 -0.80 0.00 0.00 55.06 55.16 1rxj s HIS 127 Cb 0.00 0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.23 1rxj s HIS 127 CO 0.00 -0.24 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.78 1rxj s ASP 128 N 1.22 2.51 -0.11 7.38 1.01 -0.92 -4.99 116.67 122.78 1rxj s ASP 128 Ca -0.09 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.77 1rxj s ASP 128 Cb -0.10 -0.70 -0.02 0.00 1.01 0.00 0.00 42.92 43.12 1rxj s ASP 128 CO -0.09 0.19 -0.15 0.28 0.21 0.00 0.00 175.17 175.61 1rxj s THR 129 N -0.04 2.92 -0.07 -1.27 -1.32 -1.26 -1.07 115.64 113.54 1rxj s THR 129 Ca -0.04 -0.72 0.03 0.00 -1.21 0.00 0.00 61.69 59.75 1rxj s THR 129 Cb -0.12 -2.20 -0.02 0.00 -1.51 0.00 0.00 72.50 68.64 1rxj s THR 129 CO 0.03 0.54 -0.14 -0.36 -2.21 0.00 0.00 174.62 172.48 1rxj s PHE 130 N 0.15 2.74 0.23 9.09 0.40 0.43 -3.11 117.98 127.90 1rxj s PHE 130 Ca -0.08 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1rxj s PHE 130 Cb -0.15 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 1rxj s PHE 130 CO 0.05 0.11 0.00 0.95 0.70 0.00 0.00 175.22 177.03 1rxj s THR 131 N -0.50 0.98 -1.79 0.64 -4.23 -0.58 -1.24 115.64 108.92 1rxj s THR 131 Ca 0.07 -2.03 0.29 0.00 -1.18 0.00 0.00 61.69 58.84 1rxj s THR 131 Cb -0.12 -2.35 0.72 0.00 1.34 0.00 0.00 72.50 72.09 1rxj s THR 131 CO 0.02 -0.31 2.07 0.29 -0.54 0.00 0.00 174.62 176.14 1rxj n LYS 132 N -0.41 0.74 -4.47 3.99 5.02 -1.26 -0.65 118.16 121.12 1rxj n LYS 132 Ca -0.05 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 1rxj n LYS 132 Cb 0.64 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 1rxj n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rxj s VAL 133 N -2.21 3.75 -0.02 -0.18 1.01 -1.26 -4.85 120.40 116.65 1rxj s VAL 133 Ca 0.38 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1rxj s VAL 133 Cb 0.20 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1rxj s VAL 133 CO 0.38 0.50 1.20 -0.75 0.00 0.00 0.00 175.10 176.42 1rxj s LYS 134 N 0.35 4.38 0.00 2.72 2.20 -1.26 -4.74 119.74 123.39 1rxj s LYS 134 Ca -0.05 1.70 0.15 0.00 -0.36 0.00 0.00 55.97 57.41 1rxj s LYS 134 Cb -0.14 -3.49 0.90 0.00 -1.51 0.00 0.00 37.83 33.58 1rxj s LYS 134 CO 0.03 -0.38 1.32 -2.30 -0.36 0.00 0.00 175.35 173.66