#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxj n ILE 17 N 0.00 1.71 -1.70 -0.61 5.41 -1.26 -4.91 119.36 118.00 1rxj n ILE 17 Ca 0.00 -0.69 -0.44 0.00 1.00 0.00 0.00 62.75 62.63 1rxj n ILE 17 Cb 0.00 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 1rxj n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1rxj n THR 18 N -3.35 0.62 0.00 1.39 -1.04 -1.26 -4.78 114.28 105.87 1rxj n THR 18 Ca -0.30 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1rxj n THR 18 Cb 1.05 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 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 2.70 0.94 3.69 3.41 0.00 -0.17 -4.99 105.19 110.76 1rxj n GLY 19 Ca 0.12 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.58 4.63 0.09 2.61 2.01 -1.26 -1.50 115.64 119.64 1rxj s THR 20 Ca 0.00 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1rxj s THR 20 Cb 0.00 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1rxj s THR 20 CO 0.00 0.56 -0.14 0.26 -0.69 0.00 0.00 174.62 174.61 1rxj s TRP 21 N -0.43 1.26 -0.02 4.92 0.52 0.68 -4.64 118.94 121.22 1rxj s TRP 21 Ca 0.09 -0.52 0.03 0.00 0.02 0.00 0.00 56.10 55.72 1rxj s TRP 21 Cb -0.12 -0.69 -0.00 0.00 -1.15 0.00 0.00 33.47 31.51 1rxj s TRP 21 CO 0.02 0.08 -0.10 0.71 0.02 0.00 0.00 176.95 177.67 1rxj s TYR 22 N -1.75 1.04 0.58 -1.98 2.02 -0.11 -0.12 117.35 117.03 1rxj s TYR 22 Ca 0.03 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1rxj s TYR 22 Cb -0.07 -0.71 0.08 0.00 -0.40 0.00 0.00 41.96 40.85 1rxj s TYR 22 CO 0.02 -0.08 0.65 0.54 -1.57 0.00 0.00 175.55 175.12 1rxj s ASN 23 N 0.03 4.84 0.42 2.29 2.20 -0.85 -0.98 114.94 122.88 1rxj s ASN 23 Ca -0.01 -1.08 0.29 0.00 -0.94 0.00 0.00 52.86 51.13 1rxj s ASN 23 Cb -0.07 0.50 1.33 0.00 -2.00 0.00 0.00 41.25 41.01 1rxj s ASN 23 CO 0.00 -1.33 1.88 0.06 -2.94 0.00 0.00 177.10 174.78 1rxj h GLN 24 N 0.35 0.00 -0.01 3.55 -0.00 -1.91 -2.52 115.11 114.57 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 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1rxj h GLN 24 CO 0.47 0.00 -0.13 1.28 -0.00 0.00 0.00 178.83 180.45 1rxj n LEU 25 N -2.62 1.30 0.00 0.06 4.77 -1.26 -4.94 117.00 114.31 1rxj n LEU 25 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1rxj n LEU 25 Cb 0.20 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1rxj n LEU 25 CO 0.20 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1rxj n GLY 26 N 1.26 0.74 3.80 -0.72 0.00 -0.95 -4.99 105.19 104.32 1rxj n GLY 26 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 6.01 -0.14 1.61 0.01 -1.26 -4.54 113.70 112.63 1rxj s SER 27 Ca 0.00 1.92 0.02 0.00 1.31 0.00 0.00 55.95 59.21 1rxj s SER 27 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1rxj s SER 27 CO 0.00 -1.01 -0.21 -0.89 0.41 0.00 0.00 173.24 171.54 1rxj s THR 28 N -2.14 2.15 -0.28 1.44 2.01 -0.33 -2.02 115.64 116.48 1rxj s THR 28 Ca 0.67 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1rxj s THR 28 Cb -0.17 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.53 1rxj s THR 28 CO 0.28 0.55 -0.06 0.12 -0.69 0.00 0.00 174.62 174.82 1rxj s PHE 29 N 0.76 3.23 -0.21 4.92 5.36 0.84 -1.16 117.98 131.72 1rxj s PHE 29 Ca -0.08 -2.02 -0.04 0.00 -0.96 0.00 0.00 56.93 53.83 1rxj s PHE 29 Cb -0.16 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1rxj s PHE 29 CO -0.00 -0.83 -0.04 -1.50 -1.46 0.00 0.00 175.22 171.39 1rxj s ILE 30 N 1.20 3.44 -0.00 3.12 1.10 -0.07 -0.23 121.20 129.75 1rxj s ILE 30 Ca -0.06 -0.47 -0.03 0.00 -0.51 0.00 0.00 60.65 59.58 1rxj s ILE 30 Cb -0.19 -2.56 -0.01 0.00 0.15 0.00 0.00 42.46 39.85 1rxj s ILE 30 CO -0.03 0.43 0.05 0.54 -2.11 0.00 0.00 174.94 173.81 1rxj s VAL 31 N 1.38 0.07 -0.14 4.00 0.11 -0.56 -0.81 120.40 124.44 1rxj s VAL 31 Ca 0.05 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1rxj s VAL 31 Cb -0.14 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1rxj s VAL 31 CO -0.02 -0.30 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.38 1rxj s THR 32 N -0.94 2.44 -0.42 5.04 2.01 0.40 -1.00 115.64 123.16 1rxj s THR 32 Ca -0.10 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.88 1rxj s THR 32 Cb -0.06 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.47 1rxj s THR 32 CO 0.00 0.53 0.40 0.00 -0.69 0.00 0.00 174.62 174.86 1rxj s ALA 33 N 0.72 3.45 0.65 7.40 0.00 -1.26 -2.11 121.76 130.61 1rxj s ALA 33 Ca -0.08 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.13 1rxj s ALA 33 Cb -0.16 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1rxj s ALA 33 CO 0.01 -1.58 1.04 0.20 0.00 0.00 0.00 175.76 175.44 1rxj s GLY 34 N 1.86 1.67 0.53 0.00 0.00 0.26 -4.86 107.32 106.79 1rxj s GLY 34 Ca 0.09 -0.01 0.20 0.00 0.00 0.00 0.00 44.72 45.01 1rxj s GLY 34 CO 0.12 0.28 2.15 0.00 0.00 0.00 0.00 173.10 175.65 1rxj h ALA 35 N -0.47 1.78 -0.26 3.20 0.00 -1.98 -2.52 119.26 119.01 1rxj h ALA 35 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1rxj h ALA 35 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rxj h ALA 35 CO 0.60 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.64 1rxj n ASP 36 N -4.25 2.98 0.00 0.00 10.43 -1.26 -4.87 116.55 119.57 1rxj n ASP 36 Ca -0.03 -1.87 0.00 0.00 2.57 0.00 0.00 54.79 55.46 1rxj n ASP 36 Cb 0.12 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 42.91 1rxj n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1rxj n GLY 37 N 1.11 0.93 3.76 0.44 0.00 -0.95 -4.79 105.19 105.69 1rxj n GLY 37 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.75 3.29 -0.14 4.61 0.00 -1.25 -0.96 121.76 125.56 1rxj s ALA 38 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1rxj s ALA 38 Cb 0.00 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 1rxj s ALA 38 CO 0.00 0.06 -0.16 -0.51 0.00 0.00 0.00 175.76 175.15 1rxj s LEU 39 N -1.64 2.48 0.05 0.00 1.02 -0.24 -0.57 118.68 119.78 1rxj s LEU 39 Ca 0.46 -0.45 0.04 0.00 0.02 0.00 0.00 54.13 54.20 1rxj s LEU 39 Cb -0.25 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 1rxj s LEU 39 CO 0.32 0.11 -0.11 -0.89 0.02 0.00 0.00 176.35 175.79 1rxj s THR 40 N 0.68 0.85 -3.42 5.49 2.01 -0.90 -1.13 115.64 119.22 1rxj s THR 40 Ca -0.08 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1rxj s THR 40 Cb -0.16 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1rxj s THR 40 CO 0.02 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 1rxj n GLY 41 N 1.49 -0.58 3.04 4.40 0.00 -0.94 -0.45 105.19 112.14 1rxj n GLY 41 Ca -0.21 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.00 0.27 -0.05 2.61 -4.23 0.01 -1.70 115.64 108.55 1rxj s THR 42 Ca 0.00 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1rxj s THR 42 Cb 0.00 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1rxj s THR 42 CO 0.00 -0.61 -0.15 -0.47 -0.54 0.00 0.00 174.62 172.85 1rxj s TYR 43 N -2.13 1.59 -0.21 3.99 6.14 0.31 -0.89 117.35 126.15 1rxj s TYR 43 Ca -0.08 -0.49 0.01 0.00 0.64 0.00 0.00 57.07 57.15 1rxj s TYR 43 Cb -0.05 -1.09 0.05 0.00 0.42 0.00 0.00 41.96 41.28 1rxj s TYR 43 CO -0.03 -0.20 -0.10 -1.21 0.64 0.00 0.00 175.55 174.65 1rxj s GLU 44 N 0.22 2.07 0.00 4.97 2.02 -0.30 -0.83 118.70 126.84 1rxj s GLU 44 Ca -0.07 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1rxj s GLU 44 Cb -0.12 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1rxj s GLU 44 CO 0.03 -0.46 0.50 0.45 0.02 0.00 0.00 175.26 175.80 1rxj n SER 45 N 4.64 0.02 0.00 -0.19 2.88 -1.22 -1.19 113.62 118.55 1rxj n SER 45 Ca -0.15 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1rxj n SER 45 Cb 0.46 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1rxj n SER 45 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rxj n ALA 46 N -0.47 2.72 0.00 -1.46 0.00 -1.26 -4.60 120.51 115.44 1rxj n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rxj n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rxj n ALA 46 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rxj n ILE 51 N -2.09 0.00 -0.67 0.00 -0.00 -1.26 -3.25 119.36 112.10 1rxj n ILE 51 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.83 1rxj n ILE 51 Cb 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 39.64 39.89 1rxj n ILE 51 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1rxj n LYS 52 N 0.00 3.18 -4.04 6.28 4.01 -1.26 -4.82 118.16 121.51 1rxj n LYS 52 Ca 0.00 -2.63 -0.36 0.00 -0.51 0.00 0.00 58.31 54.82 1rxj n LYS 52 Cb 0.00 -1.70 -0.08 0.00 -0.51 0.00 0.00 35.03 32.74 1rxj n LYS 52 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1rxj s ARG 53 N -2.07 3.52 0.04 1.97 3.52 -1.26 -3.46 118.95 121.21 1rxj s ARG 53 Ca 0.39 -0.27 0.03 0.00 -0.13 0.00 0.00 55.73 55.75 1rxj s ARG 53 Cb 0.28 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 1rxj s ARG 53 CO 0.14 0.58 -0.10 0.71 -0.81 0.00 0.00 175.30 175.82 1rxj s TYR 54 N -0.50 0.89 0.31 5.12 1.51 -0.01 -4.81 117.35 119.85 1rxj s TYR 54 Ca 0.11 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1rxj s TYR 54 Cb -0.12 -0.52 -0.10 0.00 -0.11 0.00 0.00 41.96 41.11 1rxj s TYR 54 CO 0.02 -0.02 1.24 0.08 -1.11 0.00 0.00 175.55 175.76 1rxj s VAL 55 N -1.12 2.99 0.10 0.71 1.01 -1.26 -0.53 120.40 122.30 1rxj s VAL 55 Ca -0.05 0.99 0.07 0.00 0.00 0.00 0.00 61.98 62.99 1rxj s VAL 55 Cb -0.09 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1rxj s VAL 55 CO 0.01 0.23 -0.18 -1.48 0.00 0.00 0.00 175.10 173.68 1rxj s LEU 56 N -1.61 2.31 0.01 3.92 0.05 -0.69 -4.29 118.68 118.38 1rxj s LEU 56 Ca 0.48 -0.68 -0.04 0.00 0.05 0.00 0.00 54.13 53.94 1rxj s LEU 56 Cb -0.37 -0.72 -0.01 0.00 -2.05 0.00 0.00 46.19 43.04 1rxj s LEU 56 CO 0.48 -0.01 0.06 0.28 -0.55 0.00 0.00 176.35 176.61 1rxj s THR 57 N -1.33 0.10 0.00 5.48 -1.32 -1.03 -2.21 115.64 115.33 1rxj s THR 57 Ca 0.04 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1rxj s THR 57 Cb -0.09 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 1rxj s THR 57 CO 0.04 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 1rxj n GLY 58 N 1.48 2.03 3.11 6.08 0.00 -0.28 -1.14 105.19 116.47 1rxj n GLY 58 Ca -0.23 -0.72 -0.11 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 0.65 0.49 0.06 1.61 1.81 -0.56 -1.08 118.95 121.93 1rxj s ARG 59 Ca 0.00 -0.43 -0.02 0.00 -1.72 0.00 0.00 55.73 53.57 1rxj s ARG 59 Cb 0.00 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.67 1rxj s ARG 59 CO 0.00 -0.12 -0.01 1.52 -0.68 0.00 0.00 175.30 176.02 1rxj s TYR 60 N -1.47 0.51 -0.47 -0.53 1.13 -0.13 -1.24 117.35 115.15 1rxj s TYR 60 Ca -0.14 -1.04 -0.28 0.00 -1.41 0.00 0.00 57.07 54.19 1rxj s TYR 60 Cb -0.07 -0.37 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1rxj s TYR 60 CO 0.01 -0.40 1.46 0.34 -2.51 0.00 0.00 175.55 174.45 1rxj s ASP 61 N -2.92 6.19 0.00 -0.18 2.15 -0.46 -4.47 116.67 116.97 1rxj s ASP 61 Ca 0.08 0.65 0.30 0.00 0.43 0.00 0.00 52.55 54.01 1rxj s ASP 61 Cb 0.08 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.66 1rxj s ASP 61 CO -0.09 -1.59 2.02 -1.54 -0.17 0.00 0.00 175.17 173.80 1rxj n SER 62 N 9.35 0.33 -3.20 -0.34 3.41 -1.26 -4.00 113.62 117.90 1rxj n SER 62 Ca 0.16 -0.74 -0.23 0.00 -0.26 0.00 0.00 58.87 57.79 1rxj n SER 62 Cb 0.48 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.91 2.55 -0.98 7.33 0.00 -1.26 -5.01 120.51 122.23 1rxj n ALA 63 Ca 0.18 -3.56 -0.30 0.00 0.00 0.00 0.00 53.44 49.76 1rxj n ALA 63 Cb 0.22 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.62 1.14 0.75 0.00 0.04 -1.26 -4.98 135.00 129.07 1rxj s PRO 64 Ca 0.37 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 1rxj s PRO 64 Cb 0.21 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 33.00 1rxj s PRO 64 CO -0.10 -2.41 1.03 0.00 0.04 0.00 0.00 177.00 175.56 1rxj n ALA 65 N -4.04 -0.17 -1.56 8.56 0.00 -1.26 -4.95 120.51 117.08 1rxj n ALA 65 Ca 0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1rxj n ALA 65 Cb 0.54 -2.15 0.13 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.70 2.80 -0.45 0.00 -2.24 -1.26 -4.59 114.28 105.83 1rxj n THR 66 Ca 0.13 -3.11 0.06 0.00 -2.27 0.00 0.00 64.05 58.87 1rxj n THR 66 Cb 0.50 -0.69 0.19 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.99 3.23 0.00 3.42 5.75 -1.26 -4.94 116.55 121.76 1rxj n ASP 67 Ca 0.43 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1rxj n ASP 67 Cb 0.99 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.14 0.66 3.78 6.12 0.00 -1.26 -5.07 105.19 109.55 1rxj n GLY 68 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.93 5.39 1.07 1.61 0.01 -1.26 -5.04 113.70 112.55 1rxj s SER 69 Ca 0.00 1.99 -0.16 0.00 1.31 0.00 0.00 55.95 59.09 1rxj s SER 69 Cb 0.00 -2.55 0.23 0.00 0.21 0.00 0.00 66.02 63.90 1rxj s SER 69 CO 0.00 -1.44 1.15 -0.83 0.41 0.00 0.00 173.24 172.53 1rxj s GLY 70 N -2.46 1.61 -0.29 3.44 0.00 -1.26 -4.82 107.32 103.54 1rxj s GLY 70 Ca 0.67 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 44.49 1rxj s GLY 70 CO 0.37 -0.06 0.11 -1.59 0.00 0.00 0.00 173.10 171.93 1rxj s THR 71 N -3.21 4.35 0.38 0.90 2.01 0.08 -4.75 115.64 115.39 1rxj s THR 71 Ca 0.69 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1rxj s THR 71 Cb -0.11 -3.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.13 1rxj s THR 71 CO 0.55 0.14 1.16 0.00 -0.69 0.00 0.00 174.62 175.78 1rxj s ALA 72 N 1.58 3.20 0.25 7.40 0.00 -1.26 -0.62 121.76 132.30 1rxj s ALA 72 Ca 0.04 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 52.74 1rxj s ALA 72 Cb -0.17 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1rxj s ALA 72 CO 0.04 -0.46 0.69 -0.48 0.00 0.00 0.00 175.76 175.55 1rxj s LEU 73 N -2.35 -0.34 0.08 0.00 2.34 -0.56 -1.36 118.68 116.48 1rxj s LEU 73 Ca 0.55 -0.45 -0.26 0.00 0.06 0.00 0.00 54.13 54.03 1rxj s LEU 73 Cb -0.31 2.69 0.07 0.00 -0.56 0.00 0.00 46.19 48.08 1rxj s LEU 73 CO 0.39 -1.25 0.64 -0.83 -1.06 0.00 0.00 176.35 174.24 1rxj s GLY 74 N -2.87 -0.60 0.18 -3.48 0.00 -0.38 -1.31 107.32 98.86 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 0.02 0.48 0.41 0.66 0.00 0.00 0.00 173.10 174.66 1rxj s TRP 75 N -2.74 0.14 -0.01 1.90 -2.14 -0.44 -1.49 118.94 114.17 1rxj s TRP 75 Ca -0.04 -0.50 0.06 0.00 2.66 0.00 0.00 56.10 58.28 1rxj s TRP 75 Cb -0.01 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.53 1rxj s TRP 75 CO -0.04 -0.83 -0.18 0.99 -2.66 0.00 0.00 176.95 174.23 1rxj s THR 76 N -3.92 1.41 -0.14 0.66 2.01 -0.29 -0.95 115.64 114.42 1rxj s THR 76 Ca 0.13 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1rxj s THR 76 Cb 0.01 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1rxj s THR 76 CO -0.01 0.38 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.42 1rxj s VAL 77 N -0.44 1.89 -0.10 3.82 1.01 -0.28 -2.47 120.40 123.83 1rxj s VAL 77 Ca 0.07 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1rxj s VAL 77 Cb -0.07 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1rxj s VAL 77 CO -0.01 0.52 0.51 0.00 0.00 0.00 0.00 175.10 176.12 1rxj s ALA 78 N 0.94 3.47 -0.19 5.51 0.00 -1.26 -0.80 121.76 129.43 1rxj s ALA 78 Ca -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1rxj s ALA 78 Cb -0.15 -2.67 -0.12 0.00 0.00 0.00 0.00 23.12 20.18 1rxj s ALA 78 CO -0.03 0.03 3.20 0.91 0.00 0.00 0.00 175.76 179.86 1rxj n TRP 79 N 3.52 0.69 -5.19 0.00 7.02 -0.01 -4.74 117.44 118.73 1rxj n TRP 79 Ca -0.07 -1.68 -0.31 0.00 -1.02 0.00 0.00 57.50 54.42 1rxj n TRP 79 Cb 0.52 -1.47 -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 -0.21 2.83 0.00 -0.99 2.20 -1.26 -1.12 119.74 121.19 1rxj s LYS 80 Ca 0.61 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1rxj s LYS 80 Cb 0.34 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1rxj s LYS 80 CO -0.09 0.22 0.00 0.27 -0.36 0.00 0.00 175.35 175.39 1rxj n ASN 81 N 3.39 0.68 0.15 1.43 0.23 -0.38 -4.72 115.26 116.03 1rxj n ASN 81 Ca -0.19 -0.57 0.13 0.00 -0.53 0.00 0.00 54.58 53.42 1rxj n ASN 81 Cb 0.53 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.76 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 2.35 -1.94 -3.29 115.58 113.22 1rxj h ASN 82 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rxj h ASN 82 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1rxj h ASN 82 CO 0.00 0.00 -0.66 -1.22 -1.65 0.00 0.00 177.43 173.90 1rxj n TYR 83 N -2.34 0.00 -3.64 1.19 4.02 -1.26 -5.05 117.16 110.07 1rxj n TYR 83 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 1rxj n TYR 83 Cb 0.22 -0.04 -0.08 0.00 -0.02 0.00 0.00 39.34 39.42 1rxj n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1rxj s ARG 84 N -1.80 0.81 -0.18 -0.72 3.00 -1.24 -5.13 118.95 113.69 1rxj s ARG 84 Ca 0.00 0.35 -0.05 0.00 -1.00 0.00 0.00 55.73 55.03 1rxj s ARG 84 Cb 0.03 0.38 0.06 0.00 0.00 0.00 0.00 34.95 35.42 1rxj s ARG 84 CO 0.16 -0.20 0.09 1.21 0.00 0.00 0.00 175.30 176.55 1rxj s ASN 85 N -0.66 2.53 0.00 -2.12 3.84 -1.26 -1.25 114.94 116.01 1rxj s ASN 85 Ca -0.07 -0.70 0.29 0.00 0.21 0.00 0.00 52.86 52.58 1rxj s ASN 85 Cb -0.03 -0.30 1.30 0.00 -0.55 0.00 0.00 41.25 41.67 1rxj s ASN 85 CO 0.05 -0.35 1.89 0.00 -2.79 0.00 0.00 177.10 175.89 1rxj n ALA 86 N 5.25 2.67 -3.64 1.71 0.00 -0.28 -4.95 120.51 121.27 1rxj n ALA 86 Ca -0.07 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 1rxj n ALA 86 Cb 0.48 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.39 -1.97 -3.67 0.00 -0.00 -1.26 -4.86 115.22 103.07 1rxj n HIS 87 Ca 0.19 0.54 -0.08 0.00 -0.00 0.00 0.00 57.72 58.37 1rxj n HIS 87 Cb 0.27 -3.60 -0.02 0.00 -0.00 0.00 0.00 29.99 26.65 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 -3.55 -0.34 -0.10 0.41 1.04 -1.26 -1.27 113.70 108.62 1rxj s SER 88 Ca 0.42 -0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 1rxj s SER 88 Cb -0.14 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1rxj s SER 88 CO 0.84 -1.05 0.26 0.00 0.98 0.00 0.00 173.24 174.28 1rxj s ALA 89 N -3.63 -0.64 -0.07 5.32 0.00 -0.28 -0.83 121.76 121.63 1rxj s ALA 89 Ca 0.08 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1rxj s ALA 89 Cb -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1rxj s ALA 89 CO -0.02 -0.13 -0.13 0.99 0.00 0.00 0.00 175.76 176.48 1rxj s THR 90 N 0.18 3.14 -0.09 0.00 2.01 0.02 -0.83 115.64 120.07 1rxj s THR 90 Ca -0.00 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1rxj s THR 90 Cb -0.02 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1rxj s THR 90 CO 0.00 0.57 -0.15 0.42 -0.69 0.00 0.00 174.62 174.78 1rxj s THR 91 N -0.46 2.97 -0.15 -0.82 -4.23 -0.30 -1.12 115.64 111.52 1rxj s THR 91 Ca 0.06 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1rxj s THR 91 Cb -0.12 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1rxj s THR 91 CO 0.02 0.56 -0.02 0.26 -0.54 0.00 0.00 174.62 174.90 1rxj s TRP 92 N -0.18 3.08 -0.09 3.99 0.51 -0.12 -1.31 118.94 124.82 1rxj s TRP 92 Ca -0.00 -0.19 0.03 0.00 -2.12 0.00 0.00 56.10 53.82 1rxj s TRP 92 Cb -0.13 -1.96 0.00 0.00 -0.81 0.00 0.00 33.47 30.57 1rxj s TRP 92 CO 0.03 0.04 -0.19 0.45 -0.51 0.00 0.00 176.95 176.77 1rxj s SER 93 N 0.25 2.57 0.00 2.95 0.15 0.03 -1.32 113.70 118.33 1rxj s SER 93 Ca -0.01 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1rxj s SER 93 Cb -0.14 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1rxj s SER 93 CO 0.02 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1rxj n GLY 94 N 3.62 1.59 3.01 9.45 0.00 -0.43 -1.28 105.19 121.15 1rxj n GLY 94 Ca -0.20 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 0.23 -0.01 1.61 -2.07 -0.72 -1.50 119.66 118.42 1rxj s GLN 95 Ca 0.00 -0.09 -0.23 0.00 -1.82 0.00 0.00 55.36 53.22 1rxj s GLN 95 Cb 0.00 0.10 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 1rxj s GLN 95 CO 0.00 -0.04 0.70 -0.47 -1.32 0.00 0.00 175.29 174.16 1rxj s TYR 96 N -0.49 3.67 -0.18 9.60 5.04 0.20 -1.56 117.35 133.63 1rxj s TYR 96 Ca -0.06 1.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 1rxj s TYR 96 Cb -0.04 -2.76 0.03 0.00 0.35 0.00 0.00 41.96 39.54 1rxj s TYR 96 CO 0.00 0.23 -0.15 0.08 -1.34 0.00 0.00 175.55 174.37 1rxj s VAL 97 N 0.22 1.81 0.00 3.14 1.01 0.29 -0.74 120.40 126.12 1rxj s VAL 97 Ca 0.36 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1rxj s VAL 97 Cb -0.19 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1rxj s VAL 97 CO 0.20 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1rxj n GLY 98 N 4.67 -1.58 0.00 4.51 0.00 -1.26 -1.32 105.19 110.21 1rxj n GLY 98 Ca -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 4.03 -2.12 0.24 -0.02 0.00 -1.26 -4.44 105.19 101.61 1rxj n GLY 99 Ca 0.00 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.90 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 1.52 -2.00 4.61 0.00 -2.06 -2.92 119.26 118.41 1rxj h ALA 100 Ca 0.00 -0.15 -0.65 0.00 0.00 0.00 0.00 54.91 54.11 1rxj h ALA 100 Cb 0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.38 1rxj h ALA 100 CO 0.00 0.21 -0.20 -0.85 0.00 0.00 0.00 179.25 178.41 1rxj n GLU 101 N -4.05 3.81 -1.67 0.00 -0.00 -1.26 -5.07 120.64 112.40 1rxj n GLU 101 Ca -0.02 -4.80 -0.40 0.00 -0.00 0.00 0.00 57.16 51.94 1rxj n GLU 101 Cb 0.25 -2.30 0.02 0.00 -0.00 0.00 0.00 31.44 29.41 1rxj n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rxj n ALA 102 N -0.21 0.93 -2.91 -1.84 0.00 -1.11 -4.96 120.51 110.42 1rxj n ALA 102 Ca 0.35 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 1rxj n ALA 102 Cb 0.36 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 1rxj n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1rxj s ARG 103 N -2.29 0.52 -0.26 0.00 1.70 -0.44 -4.13 118.95 114.05 1rxj s ARG 103 Ca 0.64 -0.59 0.01 0.00 -0.47 0.00 0.00 55.73 55.32 1rxj s ARG 103 Cb -0.50 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.13 1rxj s ARG 103 CO 0.56 -0.12 -0.08 0.42 -1.08 0.00 0.00 175.30 174.99 1rxj s ILE 104 N -1.98 2.50 -0.24 4.99 1.01 -0.29 -0.55 121.20 126.63 1rxj s ILE 104 Ca -0.10 -1.39 -0.13 0.00 0.00 0.00 0.00 60.65 59.03 1rxj s ILE 104 Cb -0.05 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1rxj s ILE 104 CO -0.02 0.05 0.28 0.20 0.00 0.00 0.00 174.94 175.46 1rxj s ASN 105 N 1.20 6.23 0.14 3.58 0.01 -0.60 -0.79 114.94 124.70 1rxj s ASN 105 Ca -0.05 0.25 0.05 0.00 -0.71 0.00 0.00 52.86 52.40 1rxj s ASN 105 Cb -0.19 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 1rxj s ASN 105 CO -0.05 -0.05 -0.11 0.42 -1.51 0.00 0.00 177.10 175.80 1rxj s THR 106 N 1.44 1.21 0.14 1.60 -4.23 -0.33 -1.75 115.64 113.72 1rxj s THR 106 Ca 0.12 -1.90 0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1rxj s THR 106 Cb -0.15 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1rxj s THR 106 CO 0.08 -0.61 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.19 1rxj s GLN 107 N -3.28 1.46 0.07 3.99 -0.21 -0.41 -2.33 119.66 118.96 1rxj s GLN 107 Ca 0.13 -1.35 0.02 0.00 0.02 0.00 0.00 55.36 54.17 1rxj s GLN 107 Cb -0.01 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 32.05 1rxj s GLN 107 CO 0.02 0.45 -0.06 1.67 -2.12 0.00 0.00 175.29 175.24 1rxj s TRP 108 N -1.16 0.74 -0.11 0.91 1.48 0.10 -0.79 118.94 120.12 1rxj s TRP 108 Ca 0.15 -0.76 0.01 0.00 -1.06 0.00 0.00 56.10 54.44 1rxj s TRP 108 Cb -0.10 -0.45 0.02 0.00 -1.16 0.00 0.00 33.47 31.79 1rxj s TRP 108 CO 0.07 -0.15 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.19 1rxj s LEU 109 N -2.43 1.46 -0.34 -4.66 1.43 -0.43 -1.92 118.68 111.79 1rxj s LEU 109 Ca 0.02 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1rxj s LEU 109 Cb -0.01 -0.93 0.07 0.00 0.03 0.00 0.00 46.19 45.35 1rxj s LEU 109 CO -0.03 -0.05 0.08 -0.22 0.23 0.00 0.00 176.35 176.35 1rxj s LEU 110 N 1.31 4.39 -0.22 1.79 2.96 0.04 -1.15 118.68 127.79 1rxj s LEU 110 Ca -0.02 -1.50 -0.10 0.00 -0.22 0.00 0.00 54.13 52.29 1rxj s LEU 110 Cb -0.14 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1rxj s LEU 110 CO -0.05 -0.36 0.15 -0.89 -1.32 0.00 0.00 176.35 173.88 1rxj s THR 111 N 1.23 5.38 0.03 3.68 2.01 -0.01 -0.87 115.64 127.10 1rxj s THR 111 Ca -0.00 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.09 1rxj s THR 111 Cb -0.21 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1rxj s THR 111 CO -0.02 0.38 0.35 -0.44 -0.69 0.00 0.00 174.62 174.20 1rxj s SER 112 N 0.79 6.61 0.05 3.53 0.01 -0.07 -1.12 113.70 123.50 1rxj s SER 112 Ca 0.08 0.74 -0.30 0.00 1.31 0.00 0.00 55.95 57.77 1rxj s SER 112 Cb -0.13 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 1rxj s SER 112 CO 0.02 0.23 1.69 -0.83 0.41 0.00 0.00 173.24 174.77 1rxj s GLY 113 N -1.59 1.53 0.22 3.44 0.00 -0.40 -4.84 107.32 105.69 1rxj s GLY 113 Ca 0.29 1.18 0.01 0.00 0.00 0.00 0.00 44.72 46.20 1rxj s GLY 113 CO 0.16 2.98 0.06 -0.51 0.00 0.00 0.00 173.10 175.79 1rxj s THR 114 N 3.05 0.55 0.83 0.90 -4.23 -1.26 -5.01 115.64 110.48 1rxj s THR 114 Ca 0.75 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1rxj s THR 114 Cb -0.39 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.11 1rxj s THR 114 CO 0.33 -0.18 1.09 0.42 -0.54 0.00 0.00 174.62 175.74 1rxj s THR 115 N -3.76 2.97 0.33 3.99 -4.23 -1.26 -4.85 115.64 108.83 1rxj s THR 115 Ca 0.33 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 61.18 1rxj s THR 115 Cb 0.07 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.28 1rxj s THR 115 CO 0.10 -0.41 1.96 -0.33 -0.54 0.00 0.00 174.62 175.39 1rxj h GLU 116 N -1.28 0.89 -0.14 3.99 5.08 -2.01 -1.58 114.58 119.52 1rxj h GLU 116 Ca -0.47 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1rxj h GLU 116 Cb 1.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1rxj h GLU 116 CO 0.56 0.59 -0.00 0.00 -1.00 0.00 0.00 179.01 179.15 1rxj h ALA 117 N 1.56 1.74 -0.49 3.43 0.00 -2.07 -2.54 119.26 120.90 1rxj h ALA 117 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1rxj h ALA 117 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rxj h ALA 117 CO -0.10 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1rxj n ASN 118 N -4.42 3.52 0.23 0.00 3.02 -0.78 -4.60 115.26 112.24 1rxj n ASN 118 Ca -0.01 -1.97 0.06 0.00 -0.03 0.00 0.00 54.58 52.63 1rxj n ASN 118 Cb 0.16 -0.32 0.54 0.00 -0.61 0.00 0.00 39.78 39.55 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 4.08 1.64 -0.05 5.41 0.00 -0.86 -2.10 119.26 127.39 1rxj h ALA 119 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1rxj h ALA 119 Cb 0.94 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1rxj h ALA 119 CO 0.00 0.21 0.04 0.11 0.00 0.00 0.00 179.25 179.62 1rxj h TRP 120 N 0.00 0.00 -0.47 0.00 5.08 -1.81 -1.79 115.95 116.95 1rxj h TRP 120 Ca -0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 1rxj h TRP 120 Cb 0.31 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.34 1rxj h TRP 120 CO 0.00 0.00 0.07 0.36 -1.28 0.00 0.00 178.44 177.59 1rxj n LYS 121 N -4.22 2.13 0.20 0.12 2.85 -0.79 -4.69 118.16 113.76 1rxj n LYS 121 Ca -0.02 -3.11 0.10 0.00 -1.05 0.00 0.00 58.31 54.23 1rxj n LYS 121 Cb 0.14 -1.90 0.26 0.00 -0.65 0.00 0.00 35.03 32.88 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 1.17 0.00 -3.22 -5.58 4.64 -1.34 -3.46 113.55 105.77 1rxj h SER 122 Ca 0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.02 1rxj h SER 122 Cb 1.88 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.60 1rxj h SER 122 CO 0.51 0.19 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.96 1rxj s THR 123 N -3.29 1.34 0.22 2.95 2.01 -1.26 -0.90 115.64 116.72 1rxj s THR 123 Ca 0.04 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.36 1rxj s THR 123 Cb 0.07 -1.35 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 1rxj s THR 123 CO 0.67 0.33 0.55 -0.76 -0.69 0.00 0.00 174.62 174.72 1rxj s LEU 124 N 1.56 4.18 0.02 4.42 1.43 -0.04 -4.91 118.68 125.33 1rxj s LEU 124 Ca 0.03 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.11 1rxj s LEU 124 Cb -0.14 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1rxj s LEU 124 CO -0.09 -0.06 -0.16 0.54 0.23 0.00 0.00 176.35 176.80 1rxj s VAL 125 N -1.79 1.30 0.00 -1.59 0.11 -1.26 -0.78 120.40 116.38 1rxj s VAL 125 Ca 0.47 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1rxj s VAL 125 Cb -0.11 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 1rxj s VAL 125 CO 0.21 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 1rxj n GLY 126 N 2.26 2.26 3.09 6.54 0.00 -0.81 -5.00 105.19 113.54 1rxj n GLY 126 Ca -0.16 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -6.40 -0.32 -0.04 1.61 -3.43 -1.26 -0.72 115.29 104.73 1rxj s HIS 127 Ca 0.00 0.77 0.05 0.00 -0.80 0.00 0.00 55.06 55.08 1rxj s HIS 127 Cb 0.00 0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1rxj s HIS 127 CO 0.00 -0.21 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.84 1rxj s ASP 128 N 0.92 2.30 -0.17 7.38 1.01 -0.98 -4.99 116.67 122.14 1rxj s ASP 128 Ca -0.06 -0.37 -0.02 0.00 0.71 0.00 0.00 52.55 52.80 1rxj s ASP 128 Cb -0.08 -0.52 -0.01 0.00 1.01 0.00 0.00 42.92 43.32 1rxj s ASP 128 CO -0.06 0.19 -0.08 0.42 0.21 0.00 0.00 175.17 175.85 1rxj s THR 129 N -0.14 3.28 -0.12 -1.27 -4.23 -1.26 -1.18 115.64 110.72 1rxj s THR 129 Ca -0.00 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1rxj s THR 129 Cb -0.11 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1rxj s THR 129 CO 0.01 0.48 0.06 -0.36 -0.54 0.00 0.00 174.62 174.28 1rxj s PHE 130 N 0.81 3.33 0.26 3.99 0.08 0.03 -3.51 117.98 122.97 1rxj s PHE 130 Ca -0.03 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.34 1rxj s PHE 130 Cb -0.15 -1.91 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 1rxj s PHE 130 CO 0.01 0.48 0.00 0.95 -0.10 0.00 0.00 175.22 176.57 1rxj s THR 131 N -0.63 1.18 -0.75 0.64 -4.23 -0.15 -1.14 115.64 110.57 1rxj s THR 131 Ca 0.11 -2.04 0.26 0.00 -1.18 0.00 0.00 61.69 58.84 1rxj s THR 131 Cb -0.12 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.51 1rxj s THR 131 CO 0.02 -0.23 1.78 0.29 -0.54 0.00 0.00 174.62 175.95 1rxj n LYS 132 N -0.52 0.21 -4.44 3.99 4.76 -1.26 -0.94 118.16 119.96 1rxj n LYS 132 Ca -0.04 0.21 -0.25 0.00 -2.87 0.00 0.00 58.31 55.36 1rxj n LYS 132 Cb 0.64 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.97 1rxj n LYS 132 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1rxj s VAL 133 N -3.11 2.35 -2.00 -0.18 1.01 -1.26 -4.85 120.40 112.36 1rxj s VAL 133 Ca 0.10 -2.23 0.23 0.00 0.00 0.00 0.00 61.98 60.09 1rxj s VAL 133 Cb 0.13 -2.19 0.66 0.00 0.00 0.00 0.00 36.38 34.98 1rxj s VAL 133 CO 0.55 -0.30 1.76 0.29 0.00 0.00 0.00 175.10 177.40