#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxk n ALA 15 N 0.00 -1.99 -0.05 -1.84 0.00 -1.26 -3.90 120.51 111.48 1rxk n ALA 15 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1rxk n ALA 15 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1rxk n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rxk n GLY 16 N 1.30 0.88 0.13 0.00 0.00 -1.26 -4.91 105.19 101.33 1rxk n GLY 16 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1rxk n GLY 16 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rxk n ILE 17 N -2.00 1.72 -1.76 -0.61 5.41 -1.25 -4.91 119.36 115.96 1rxk n ILE 17 Ca 0.00 -0.66 -0.41 0.00 1.00 0.00 0.00 62.75 62.68 1rxk n ILE 17 Cb 0.00 -1.61 -0.01 0.00 -0.71 0.00 0.00 39.64 37.32 1rxk n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1rxk n THR 18 N -3.40 1.61 0.00 1.39 -1.04 -1.26 -4.77 114.28 106.81 1rxk n THR 18 Ca -0.33 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 1rxk n THR 18 Cb 1.04 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1rxk n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rxk n GLY 19 N 1.14 0.75 3.59 3.41 0.00 0.25 -5.00 105.19 109.33 1rxk n GLY 19 Ca 0.04 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1rxk n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rxk s THR 20 N -1.67 4.08 0.05 2.61 2.01 -1.26 -1.51 115.64 119.94 1rxk s THR 20 Ca 0.00 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1rxk s THR 20 Cb 0.00 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1rxk s THR 20 CO 0.00 0.55 -0.12 0.26 -0.69 0.00 0.00 174.62 174.62 1rxk s TRP 21 N -0.28 1.06 -0.03 4.92 0.52 0.25 -4.67 118.94 120.72 1rxk s TRP 21 Ca 0.05 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.81 1rxk s TRP 21 Cb -0.12 -0.62 -0.00 0.00 -1.15 0.00 0.00 33.47 31.57 1rxk s TRP 21 CO 0.02 0.02 -0.13 0.71 0.02 0.00 0.00 176.95 177.59 1rxk s TYR 22 N -1.05 1.30 0.57 -1.98 2.02 -0.31 -0.79 117.35 117.09 1rxk s TYR 22 Ca -0.02 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1rxk s TYR 22 Cb -0.09 -0.88 0.07 0.00 -0.40 0.00 0.00 41.96 40.66 1rxk s TYR 22 CO 0.01 -0.11 0.66 0.54 -1.57 0.00 0.00 175.55 175.08 1rxk s ASN 23 N 0.04 4.93 0.58 2.29 2.20 -0.98 -1.06 114.94 122.94 1rxk s ASN 23 Ca -0.02 -1.00 0.36 0.00 -0.94 0.00 0.00 52.86 51.27 1rxk s ASN 23 Cb -0.09 0.36 1.63 0.00 -2.00 0.00 0.00 41.25 41.14 1rxk s ASN 23 CO 0.01 -1.27 2.08 0.06 -2.94 0.00 0.00 177.10 175.04 1rxk h GLN 24 N 0.37 0.00 -0.06 3.55 -0.00 -1.91 -2.82 115.11 114.24 1rxk h GLN 24 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1rxk h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1rxk h GLN 24 CO 0.46 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.58 1rxk n LEU 25 N -3.10 1.04 0.00 0.06 4.77 -1.26 -4.94 117.00 113.57 1rxk n LEU 25 Ca -0.00 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1rxk n LEU 25 Cb 0.25 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1rxk n LEU 25 CO 0.26 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1rxk n GLY 26 N 1.06 0.55 3.86 -0.72 0.00 -1.06 -4.58 105.19 104.29 1rxk n GLY 26 Ca 0.18 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1rxk n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rxk s SER 27 N -2.41 6.65 -0.13 1.61 0.01 -1.26 -3.60 113.70 114.58 1rxk s SER 27 Ca 0.00 1.28 0.02 0.00 1.31 0.00 0.00 55.95 58.56 1rxk s SER 27 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1rxk s SER 27 CO 0.00 -0.35 -0.20 -0.89 0.41 0.00 0.00 173.24 172.21 1rxk s THR 28 N -2.25 2.26 -0.22 1.44 2.01 0.01 -2.33 115.64 116.57 1rxk s THR 28 Ca 0.54 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 1rxk s THR 28 Cb -0.10 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1rxk s THR 28 CO 0.25 0.54 -0.11 0.12 -0.69 0.00 0.00 174.62 174.74 1rxk s PHE 29 N 0.65 2.97 -0.21 4.92 5.36 0.03 -0.34 117.98 131.36 1rxk s PHE 29 Ca -0.10 -1.52 0.01 0.00 -0.96 0.00 0.00 56.93 54.36 1rxk s PHE 29 Cb -0.16 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1rxk s PHE 29 CO 0.02 -0.73 -0.16 0.42 -1.46 0.00 0.00 175.22 173.31 1rxk s ILE 30 N 1.33 2.17 0.02 3.12 1.01 -0.01 -0.58 121.20 128.25 1rxk s ILE 30 Ca 0.02 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.57 1rxk s ILE 30 Cb -0.15 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1rxk s ILE 30 CO -0.07 0.36 -0.08 0.54 0.00 0.00 0.00 174.94 175.69 1rxk s VAL 31 N 1.24 0.62 -0.17 2.92 0.11 -0.57 -1.19 120.40 123.37 1rxk s VAL 31 Ca 0.01 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 58.39 1rxk s VAL 31 Cb -0.15 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1rxk s VAL 31 CO -0.10 -0.03 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.73 1rxk s THR 32 N -0.62 3.91 -0.38 5.04 2.01 0.45 -0.58 115.64 125.48 1rxk s THR 32 Ca -0.01 -0.34 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 1rxk s THR 32 Cb -0.06 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.73 1rxk s THR 32 CO 0.00 0.47 0.27 0.00 -0.69 0.00 0.00 174.62 174.68 1rxk s ALA 33 N 0.55 3.48 0.63 7.40 0.00 -1.26 -2.20 121.76 130.36 1rxk s ALA 33 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 1rxk s ALA 33 Cb -0.14 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1rxk s ALA 33 CO 0.02 -1.24 1.04 0.20 0.00 0.00 0.00 175.76 175.79 1rxk s GLY 34 N 1.70 1.83 0.51 0.00 0.00 0.56 -4.88 107.32 107.04 1rxk s GLY 34 Ca 0.05 0.13 0.24 0.00 0.00 0.00 0.00 44.72 45.14 1rxk s GLY 34 CO 0.10 0.43 2.09 0.00 0.00 0.00 0.00 173.10 175.71 1rxk h ALA 35 N -0.11 1.47 -0.18 3.20 0.00 -1.98 -2.65 119.26 119.02 1rxk h ALA 35 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1rxk h ALA 35 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rxk h ALA 35 CO 0.59 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 1rxk n ASP 36 N -3.91 3.05 0.00 0.00 10.43 -1.26 -4.91 116.55 119.96 1rxk n ASP 36 Ca -0.02 -1.93 0.00 0.00 2.57 0.00 0.00 54.79 55.41 1rxk n ASP 36 Cb 0.21 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.06 1rxk n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1rxk n GLY 37 N 1.29 0.53 3.78 0.44 0.00 -1.00 -4.79 105.19 105.44 1rxk n GLY 37 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1rxk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxk s ALA 38 N -1.40 3.25 -0.11 4.61 0.00 -1.25 -1.02 121.76 125.84 1rxk s ALA 38 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1rxk s ALA 38 Cb 0.00 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1rxk s ALA 38 CO 0.00 0.19 -0.20 -0.51 0.00 0.00 0.00 175.76 175.24 1rxk s LEU 39 N -1.91 2.29 0.02 0.00 1.43 -0.35 -0.32 118.68 119.83 1rxk s LEU 39 Ca 0.48 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1rxk s LEU 39 Cb -0.20 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1rxk s LEU 39 CO 0.25 0.15 0.00 0.42 0.23 0.00 0.00 176.35 177.40 1rxk s THR 40 N 0.38 0.10 -3.91 5.49 -4.23 -0.94 -1.08 115.64 111.46 1rxk s THR 40 Ca -0.16 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1rxk s THR 40 Cb -0.17 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1rxk s THR 40 CO 0.07 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1rxk n GLY 41 N 1.66 -0.52 3.12 3.99 0.00 -1.03 -0.41 105.19 112.00 1rxk n GLY 41 Ca -0.23 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 1rxk n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxk s THR 42 N -3.23 0.90 -0.09 2.61 -4.23 -0.33 -1.64 115.64 109.63 1rxk s THR 42 Ca 0.00 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1rxk s THR 42 Cb 0.00 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.98 1rxk s THR 42 CO 0.00 -0.17 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.29 1rxk s TYR 43 N -1.07 1.90 -0.12 3.99 6.14 0.07 -0.83 117.35 127.42 1rxk s TYR 43 Ca -0.03 -0.80 0.02 0.00 0.64 0.00 0.00 57.07 56.90 1rxk s TYR 43 Cb -0.09 -1.35 0.01 0.00 0.42 0.00 0.00 41.96 40.96 1rxk s TYR 43 CO 0.01 -0.39 -0.18 -2.00 0.64 0.00 0.00 175.55 173.64 1rxk s GLU 44 N 0.73 2.55 0.62 4.97 2.12 0.54 -0.36 118.70 129.87 1rxk s GLU 44 Ca -0.12 -0.68 -0.15 0.00 0.36 0.00 0.00 54.97 54.37 1rxk s GLU 44 Cb -0.16 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 1rxk s GLU 44 CO 0.03 -0.05 1.08 -1.12 -0.54 0.00 0.00 175.26 174.66 1rxk s SER 45 N 0.93 5.50 0.27 -1.70 0.01 -0.90 -0.81 113.70 117.00 1rxk s SER 45 Ca -0.07 1.88 -0.30 0.00 1.31 0.00 0.00 55.95 58.77 1rxk s SER 45 Cb -0.15 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.42 1rxk s SER 45 CO -0.02 -1.36 1.48 0.00 0.41 0.00 0.00 173.24 173.75 1rxk n ALA 46 N -2.23 1.73 -2.51 1.44 0.00 -1.24 -4.83 120.51 112.87 1rxk n ALA 46 Ca 0.09 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 1rxk n ALA 46 Cb 0.53 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.50 1rxk n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rxk s VAL 47 N -0.12 1.69 0.00 0.00 -7.23 -1.26 -5.05 120.40 108.43 1rxk s VAL 47 Ca 0.65 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1rxk s VAL 47 Cb -0.58 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1rxk s VAL 47 CO 0.50 -0.20 0.00 1.07 -0.31 0.00 0.00 175.10 176.16 1rxk n THR 48 N 0.74 0.00 0.02 5.32 5.66 -1.26 -4.88 114.28 119.87 1rxk n THR 48 Ca -0.17 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.76 1rxk n THR 48 Cb 0.55 -0.82 0.10 0.00 -1.55 0.00 0.00 70.33 68.61 1rxk n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rxk h ALA 49 N 0.00 0.81 -2.50 1.79 0.00 -2.05 -3.46 119.26 113.84 1rxk h ALA 49 Ca 0.00 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 1rxk h ALA 49 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rxk h ALA 49 CO 0.00 0.67 0.19 0.99 0.00 0.00 0.00 179.25 181.10 1rxk s THR 50 N -4.08 4.44 0.33 0.00 2.01 -1.26 -5.04 115.64 112.03 1rxk s THR 50 Ca -0.07 1.47 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 1rxk s THR 50 Cb 0.12 -3.91 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 1rxk s THR 50 CO 0.82 0.18 1.46 -0.55 -0.69 0.00 0.00 174.62 175.84 1rxk s SER 50 N -1.65 6.50 0.19 3.53 0.15 -1.26 -4.83 113.70 116.34 1rxk s SER 50 Ca 0.46 2.88 -0.12 0.00 0.70 0.00 0.00 55.95 59.86 1rxk s SER 50 Cb -0.17 -2.65 0.21 0.00 -1.71 0.00 0.00 66.02 61.70 1rxk s SER 50 CO 0.22 -0.77 1.71 0.78 1.20 0.00 0.00 173.24 176.37 1rxk h ASN 50 N 3.82 -0.02 0.44 5.45 2.35 -1.97 -1.99 115.58 123.65 1rxk h ASN 50 Ca -0.49 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.34 1rxk h ASN 50 Cb 1.23 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.73 1rxk h ASN 50 CO 0.70 0.01 -0.08 1.05 -1.65 0.00 0.00 177.43 177.46 1rxk h GLU 50 N 0.22 0.00 0.00 0.81 9.09 -1.96 -1.62 114.58 121.13 1rxk h GLU 50 Ca 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.67 1rxk h GLU 50 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1rxk h GLU 50 CO -0.35 0.08 -0.00 0.82 0.05 0.00 0.00 179.01 179.61 1rxk h ILE 51 N 0.00 0.02 -0.25 -1.06 2.04 -1.74 -2.74 117.51 113.77 1rxk h ILE 51 Ca -0.00 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 1rxk h ILE 51 Cb 0.32 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1rxk h ILE 51 CO 0.01 0.00 -0.20 0.29 0.00 0.00 0.00 178.15 178.25 1rxk n LYS 52 N -3.10 1.76 -4.35 2.37 5.02 -0.61 -4.77 118.16 114.49 1rxk n LYS 52 Ca -0.01 -3.23 -0.34 0.00 -2.02 0.00 0.00 58.31 52.72 1rxk n LYS 52 Cb 0.23 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.38 1rxk n LYS 52 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rxk s ARG 53 N -3.25 3.42 0.06 1.97 0.52 -1.04 -2.12 118.95 118.52 1rxk s ARG 53 Ca 0.43 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1rxk s ARG 53 Cb 0.40 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1rxk s ARG 53 CO -0.02 0.43 -0.10 0.71 0.02 0.00 0.00 175.30 176.34 1rxk s TYR 54 N -0.15 0.89 0.32 -0.53 1.51 0.52 -4.84 117.35 115.07 1rxk s TYR 54 Ca 0.04 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.30 1rxk s TYR 54 Cb -0.13 -0.51 -0.10 0.00 -0.11 0.00 0.00 41.96 41.11 1rxk s TYR 54 CO 0.02 -0.03 1.25 0.08 -1.11 0.00 0.00 175.55 175.76 1rxk s VAL 55 N -1.48 2.92 0.08 0.71 1.01 -1.26 -0.75 120.40 121.63 1rxk s VAL 55 Ca -0.06 0.93 0.06 0.00 0.00 0.00 0.00 61.98 62.91 1rxk s VAL 55 Cb -0.09 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1rxk s VAL 55 CO 0.01 0.22 -0.15 -1.48 0.00 0.00 0.00 175.10 173.69 1rxk s LEU 56 N -1.74 2.30 0.03 3.92 0.05 -0.65 -4.35 118.68 118.23 1rxk s LEU 56 Ca 0.48 -0.66 0.01 0.00 0.05 0.00 0.00 54.13 54.01 1rxk s LEU 56 Cb -0.37 -0.57 -0.02 0.00 -2.05 0.00 0.00 46.19 43.17 1rxk s LEU 56 CO 0.49 -0.07 -0.04 0.28 -0.55 0.00 0.00 176.35 176.46 1rxk s THR 57 N -1.39 0.25 0.00 5.48 -1.32 -1.10 -2.45 115.64 115.11 1rxk s THR 57 Ca 0.01 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1rxk s THR 57 Cb -0.09 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1rxk s THR 57 CO 0.03 -0.50 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 1rxk n GLY 58 N 1.45 1.89 3.12 6.08 0.00 -0.24 -1.07 105.19 116.43 1rxk n GLY 58 Ca -0.23 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1rxk n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rxk s ARG 59 N 0.47 0.54 0.07 1.61 1.81 -0.51 -1.21 118.95 121.73 1rxk s ARG 59 Ca 0.00 -0.51 -0.05 0.00 -1.72 0.00 0.00 55.73 53.45 1rxk s ARG 59 Cb 0.00 0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 1rxk s ARG 59 CO 0.00 -0.14 0.09 1.52 -0.68 0.00 0.00 175.30 176.10 1rxk s TYR 60 N -1.83 0.31 -0.46 -0.53 1.13 -0.19 -1.34 117.35 114.45 1rxk s TYR 60 Ca -0.11 -0.79 -0.28 0.00 -1.41 0.00 0.00 57.07 54.48 1rxk s TYR 60 Cb -0.05 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.61 1rxk s TYR 60 CO -0.00 -0.47 1.51 0.34 -2.51 0.00 0.00 175.55 174.42 1rxk s ASP 61 N -2.86 6.11 0.00 -0.18 2.15 -0.34 -4.49 116.67 117.06 1rxk s ASP 61 Ca 0.05 0.69 0.25 0.00 0.43 0.00 0.00 52.55 53.97 1rxk s ASP 61 Cb 0.06 -2.54 1.22 0.00 -0.30 0.00 0.00 42.92 41.36 1rxk s ASP 61 CO -0.10 -1.64 1.82 -1.54 -0.17 0.00 0.00 175.17 173.53 1rxk n SER 62 N 9.61 0.70 -3.16 -0.34 3.41 -1.26 -4.05 113.62 118.52 1rxk n SER 62 Ca 0.17 -1.39 -0.23 0.00 -0.26 0.00 0.00 58.87 57.15 1rxk n SER 62 Cb 0.48 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 1rxk n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxk n ALA 63 N -0.39 2.14 -1.07 7.33 0.00 -1.26 -4.92 120.51 122.34 1rxk n ALA 63 Ca 0.18 -3.23 -0.31 0.00 0.00 0.00 0.00 53.44 50.08 1rxk n ALA 63 Cb 0.20 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 18.92 1rxk n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rxk s PRO 64 N -0.99 1.66 0.31 0.00 0.04 -1.26 -4.98 135.00 129.78 1rxk s PRO 64 Ca 0.35 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1rxk s PRO 64 Cb 0.17 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.78 1rxk s PRO 64 CO -0.12 -2.08 1.25 0.00 0.04 0.00 0.00 177.00 176.09 1rxk s ALA 65 N -2.82 3.47 -0.69 8.56 0.00 -1.26 -4.92 121.76 124.09 1rxk s ALA 65 Ca 0.63 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.74 1rxk s ALA 65 Cb -0.19 -3.44 0.39 0.00 0.00 0.00 0.00 23.12 19.89 1rxk s ALA 65 CO 0.57 -0.50 1.81 0.25 0.00 0.00 0.00 175.76 177.89 1rxk n THR 66 N 1.01 3.32 -1.07 0.00 -2.24 -1.26 -4.12 114.28 109.91 1rxk n THR 66 Ca -0.00 -4.08 0.06 0.00 -2.27 0.00 0.00 64.05 57.76 1rxk n THR 66 Cb 0.43 -1.22 0.25 0.00 -2.10 0.00 0.00 70.33 67.69 1rxk n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rxk n ASP 67 N -0.63 3.72 0.00 3.42 5.75 -1.26 -4.92 116.55 122.63 1rxk n ASP 67 Ca 0.53 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1rxk n ASP 67 Cb 0.46 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1rxk n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rxk n GLY 68 N -0.60 0.58 3.86 6.12 0.00 -1.26 -5.06 105.19 108.84 1rxk n GLY 68 Ca 0.24 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1rxk n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rxk s SER 69 N -2.20 6.47 1.01 1.61 0.01 -1.26 -5.06 113.70 114.28 1rxk s SER 69 Ca 0.00 1.39 -0.14 0.00 1.31 0.00 0.00 55.95 58.51 1rxk s SER 69 Cb 0.00 -2.44 0.19 0.00 0.21 0.00 0.00 66.02 63.98 1rxk s SER 69 CO 0.00 -0.63 1.14 -0.83 0.41 0.00 0.00 173.24 173.33 1rxk s GLY 70 N -3.47 1.60 -0.34 3.44 0.00 -1.26 -4.87 107.32 102.41 1rxk s GLY 70 Ca 0.55 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 1rxk s GLY 70 CO 0.39 0.01 0.17 -1.59 0.00 0.00 0.00 173.10 172.07 1rxk s THR 71 N -3.21 4.53 0.37 0.90 2.01 0.07 -4.78 115.64 115.52 1rxk s THR 71 Ca 0.67 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.74 1rxk s THR 71 Cb -0.13 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 1rxk s THR 71 CO 0.55 -0.08 1.34 0.00 -0.69 0.00 0.00 174.62 175.74 1rxk s ALA 72 N 1.57 3.43 0.21 7.40 0.00 -1.26 -1.08 121.76 132.03 1rxk s ALA 72 Ca 0.03 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.07 1rxk s ALA 72 Cb -0.18 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.48 1rxk s ALA 72 CO 0.06 -0.78 0.70 -0.48 0.00 0.00 0.00 175.76 175.26 1rxk s LEU 73 N -2.07 -0.37 0.08 0.00 0.05 -0.44 -1.20 118.68 114.72 1rxk s LEU 73 Ca 0.52 -0.35 -0.24 0.00 0.05 0.00 0.00 54.13 54.12 1rxk s LEU 73 Cb -0.40 2.60 0.06 0.00 -2.05 0.00 0.00 46.19 46.40 1rxk s LEU 73 CO 0.53 -1.14 0.57 -0.83 -0.55 0.00 0.00 176.35 174.93 1rxk s GLY 74 N -2.84 -0.52 0.19 -3.48 0.00 -0.45 -1.31 107.32 98.91 1rxk s GLY 74 Ca 0.07 0.64 -0.13 0.00 0.00 0.00 0.00 44.72 45.29 1rxk s GLY 74 CO -0.01 0.32 0.42 0.66 0.00 0.00 0.00 173.10 174.48 1rxk s TRP 75 N -2.84 0.15 -0.00 1.90 -2.14 -0.52 -1.43 118.94 114.05 1rxk s TRP 75 Ca -0.03 -0.50 0.06 0.00 2.66 0.00 0.00 56.10 58.28 1rxk s TRP 75 Cb -0.00 0.19 -0.02 0.00 -3.10 0.00 0.00 33.47 30.53 1rxk s TRP 75 CO -0.05 -0.85 -0.19 0.99 -2.66 0.00 0.00 176.95 174.20 1rxk s THR 76 N -3.93 1.48 -0.16 0.66 2.01 -0.23 -0.89 115.64 114.58 1rxk s THR 76 Ca 0.14 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1rxk s THR 76 Cb 0.01 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1rxk s THR 76 CO -0.00 0.35 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.40 1rxk s VAL 77 N -0.52 1.93 -0.11 3.82 1.01 -0.38 -2.70 120.40 123.46 1rxk s VAL 77 Ca 0.07 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1rxk s VAL 77 Cb -0.07 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1rxk s VAL 77 CO -0.00 0.52 0.68 0.00 0.00 0.00 0.00 175.10 176.29 1rxk s ALA 78 N 1.23 3.41 -0.12 5.51 0.00 -1.26 -0.82 121.76 129.72 1rxk s ALA 78 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1rxk s ALA 78 Cb -0.13 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1rxk s ALA 78 CO -0.10 -0.24 2.81 0.91 0.00 0.00 0.00 175.76 179.15 1rxk n TRP 79 N 4.17 0.47 -4.86 0.00 7.02 -0.24 -4.73 117.44 119.28 1rxk n TRP 79 Ca -0.01 -1.50 -0.31 0.00 -1.02 0.00 0.00 57.50 54.66 1rxk n TRP 79 Cb 0.51 -1.17 -0.17 0.00 -2.42 0.00 0.00 31.31 28.06 1rxk n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1rxk s LYS 80 N -0.11 2.87 0.00 -0.99 2.20 -1.26 -1.07 119.74 121.37 1rxk s LYS 80 Ca 0.42 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1rxk s LYS 80 Cb 0.23 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1rxk s LYS 80 CO -0.04 0.06 0.00 0.27 -0.36 0.00 0.00 175.35 175.28 1rxk n ASN 81 N 3.85 0.74 0.00 1.43 0.23 -0.10 -4.74 115.26 116.66 1rxk n ASN 81 Ca -0.20 -0.63 0.11 0.00 -0.53 0.00 0.00 54.58 53.34 1rxk n ASN 81 Cb 0.52 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.80 1rxk n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rxk n ASN 82 N -1.42 0.00 -0.01 0.53 3.02 -1.26 -3.65 115.26 112.47 1rxk n ASN 82 Ca 0.00 -0.17 -0.01 0.00 -0.03 0.00 0.00 54.58 54.37 1rxk n ASN 82 Cb 0.00 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1rxk n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rxk n TYR 83 N -1.23 0.00 -3.66 3.10 4.01 -1.26 -5.08 117.16 113.04 1rxk n TYR 83 Ca 0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1rxk n TYR 83 Cb 0.16 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 38.95 1rxk n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1rxk s ARG 84 N -2.17 0.90 -0.20 -0.72 0.52 -1.24 -5.14 118.95 110.90 1rxk s ARG 84 Ca -0.02 -0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1rxk s ARG 84 Cb 0.02 0.41 0.10 0.00 0.52 0.00 0.00 34.95 35.99 1rxk s ARG 84 CO 0.18 -0.30 0.28 1.21 0.02 0.00 0.00 175.30 176.69 1rxk s ASN 85 N -1.83 0.80 0.00 0.23 3.84 -1.26 -0.93 114.94 115.79 1rxk s ASN 85 Ca -0.07 0.09 0.27 0.00 0.21 0.00 0.00 52.86 53.36 1rxk s ASN 85 Cb -0.01 0.69 0.86 0.00 -0.55 0.00 0.00 41.25 42.24 1rxk s ASN 85 CO -0.00 -0.30 1.63 0.00 -2.79 0.00 0.00 177.10 175.64 1rxk n ALA 86 N 5.34 2.86 -3.59 1.71 0.00 -0.24 -4.96 120.51 121.64 1rxk n ALA 86 Ca -0.05 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 1rxk n ALA 86 Cb 0.50 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.86 1rxk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rxk n HIS 87 N -0.26 -2.04 -3.79 0.00 8.25 -1.26 -4.87 115.22 111.26 1rxk n HIS 87 Ca 0.15 0.76 -0.09 0.00 -0.26 0.00 0.00 57.72 58.28 1rxk n HIS 87 Cb 0.36 -4.17 -0.03 0.00 1.12 0.00 0.00 29.99 27.27 1rxk n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1rxk s SER 88 N -3.96 -0.28 -0.14 0.41 1.04 -1.26 -0.80 113.70 108.70 1rxk s SER 88 Ca 0.20 -0.53 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 1rxk s SER 88 Cb -0.05 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.76 1rxk s SER 88 CO 0.80 -1.20 0.39 0.00 0.98 0.00 0.00 173.24 174.21 1rxk s ALA 89 N -3.90 -0.95 -0.05 5.32 0.00 -0.33 -1.08 121.76 120.77 1rxk s ALA 89 Ca 0.11 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1rxk s ALA 89 Cb -0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1rxk s ALA 89 CO 0.02 -0.19 -0.17 0.99 0.00 0.00 0.00 175.76 176.42 1rxk s THR 90 N 0.15 2.85 -0.05 0.00 2.01 0.00 -0.80 115.64 119.80 1rxk s THR 90 Ca -0.00 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1rxk s THR 90 Cb -0.03 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1rxk s THR 90 CO 0.01 0.59 -0.21 0.42 -0.69 0.00 0.00 174.62 174.73 1rxk s THR 91 N -0.64 2.40 -0.14 -0.82 -4.23 -0.40 -1.25 115.64 110.56 1rxk s THR 91 Ca 0.10 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1rxk s THR 91 Cb -0.11 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1rxk s THR 91 CO 0.01 0.57 -0.01 0.26 -0.54 0.00 0.00 174.62 174.91 1rxk s TRP 92 N -0.36 3.09 -0.06 3.99 0.51 -0.07 -1.36 118.94 124.68 1rxk s TRP 92 Ca 0.03 -0.10 0.04 0.00 -2.12 0.00 0.00 56.10 53.95 1rxk s TRP 92 Cb -0.12 -1.93 0.00 0.00 -0.81 0.00 0.00 33.47 30.61 1rxk s TRP 92 CO 0.02 0.13 -0.19 0.45 -0.51 0.00 0.00 176.95 176.86 1rxk s SER 93 N 0.02 2.43 0.00 2.95 0.15 -0.26 -1.45 113.70 117.54 1rxk s SER 93 Ca 0.02 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1rxk s SER 93 Cb -0.13 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 1rxk s SER 93 CO 0.02 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1rxk n GLY 94 N 3.37 1.10 3.00 9.45 0.00 -0.43 -1.12 105.19 120.56 1rxk n GLY 94 Ca -0.19 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1rxk n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rxk s GLN 95 N 1.46 0.22 0.03 1.61 -2.07 -0.56 -1.33 119.66 119.02 1rxk s GLN 95 Ca 0.00 -0.11 -0.24 0.00 -1.82 0.00 0.00 55.36 53.19 1rxk s GLN 95 Cb 0.00 0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 31.96 1rxk s GLN 95 CO 0.00 -0.04 0.74 -0.47 -1.32 0.00 0.00 175.29 174.20 1rxk s TYR 96 N -0.50 3.71 -0.12 9.60 5.04 -0.24 -1.59 117.35 133.25 1rxk s TYR 96 Ca -0.06 1.42 0.02 0.00 -2.44 0.00 0.00 57.07 56.01 1rxk s TYR 96 Cb -0.04 -2.80 0.02 0.00 0.35 0.00 0.00 41.96 39.49 1rxk s TYR 96 CO 0.00 0.26 -0.16 0.08 -1.34 0.00 0.00 175.55 174.39 1rxk s VAL 97 N 0.04 1.57 0.00 3.14 1.01 0.16 -0.75 120.40 125.57 1rxk s VAL 97 Ca 0.38 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1rxk s VAL 97 Cb -0.20 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1rxk s VAL 97 CO 0.22 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1rxk n GLY 98 N 4.26 0.79 1.99 4.51 0.00 -1.26 -1.16 105.19 114.32 1rxk n GLY 98 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1rxk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rxk n GLY 99 N 5.00 -1.80 0.16 -0.02 0.00 -1.26 -4.35 105.19 102.92 1rxk n GLY 99 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 1rxk n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxk h ALA 100 N 0.00 0.99 -1.93 4.61 0.00 -2.06 -3.14 119.26 117.73 1rxk h ALA 100 Ca 0.00 -0.51 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 1rxk h ALA 100 Cb 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.33 1rxk h ALA 100 CO 0.00 0.70 -0.09 0.39 0.00 0.00 0.00 179.25 180.25 1rxk n GLU 101 N -3.89 3.95 -1.71 0.00 -0.58 -1.26 -5.08 120.64 112.07 1rxk n GLU 101 Ca -0.02 -4.78 -0.39 0.00 -0.42 0.00 0.00 57.16 51.55 1rxk n GLU 101 Cb 0.58 -2.31 0.03 0.00 -0.57 0.00 0.00 31.44 29.17 1rxk n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rxk n ALA 102 N -0.20 1.32 -3.07 0.62 0.00 -1.19 -4.95 120.51 113.05 1rxk n ALA 102 Ca 0.36 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 1rxk n ALA 102 Cb 0.35 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.40 1rxk n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rxk s ARG 103 N -2.62 0.40 -0.31 0.00 1.81 -0.31 -4.31 118.95 113.61 1rxk s ARG 103 Ca 0.68 -0.37 -0.02 0.00 -1.72 0.00 0.00 55.73 54.31 1rxk s ARG 103 Cb -0.45 0.17 0.06 0.00 -0.45 0.00 0.00 34.95 34.27 1rxk s ARG 103 CO 0.52 -0.09 0.02 0.42 -0.68 0.00 0.00 175.30 175.49 1rxk s ILE 104 N -1.21 2.99 -0.31 1.52 1.01 -0.36 -0.66 121.20 124.17 1rxk s ILE 104 Ca -0.13 -1.46 -0.14 0.00 0.00 0.00 0.00 60.65 58.92 1rxk s ILE 104 Cb -0.07 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1rxk s ILE 104 CO 0.01 -0.16 0.32 0.20 0.00 0.00 0.00 174.94 175.31 1rxk s ASN 105 N 1.29 6.16 0.15 3.58 0.02 -0.62 -0.79 114.94 124.72 1rxk s ASN 105 Ca -0.04 -0.09 0.06 0.00 -1.02 0.00 0.00 52.86 51.77 1rxk s ASN 105 Cb -0.20 -2.18 -0.04 0.00 0.02 0.00 0.00 41.25 38.85 1rxk s ASN 105 CO -0.01 -0.24 -0.13 0.42 0.02 0.00 0.00 177.10 177.16 1rxk s THR 106 N 1.95 1.37 0.12 1.60 -4.23 -0.52 -1.49 115.64 114.44 1rxk s THR 106 Ca 0.11 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1rxk s THR 106 Cb -0.16 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 1rxk s THR 106 CO 0.11 -0.58 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.34 1rxk s GLN 107 N -3.29 1.82 0.08 3.99 -0.21 -0.28 -2.22 119.66 119.55 1rxk s GLN 107 Ca 0.15 -1.17 0.02 0.00 0.02 0.00 0.00 55.36 54.38 1rxk s GLN 107 Cb -0.01 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1rxk s GLN 107 CO 0.03 0.48 -0.07 1.67 -2.12 0.00 0.00 175.29 175.28 1rxk s TRP 108 N -1.17 0.81 -0.12 0.91 1.48 0.57 -1.10 118.94 120.33 1rxk s TRP 108 Ca 0.18 -0.76 0.01 0.00 -1.06 0.00 0.00 56.10 54.48 1rxk s TRP 108 Cb -0.11 -0.47 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 1rxk s TRP 108 CO 0.11 -0.12 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.22 1rxk s LEU 109 N -2.49 1.67 -0.29 -4.66 1.43 -0.46 -1.77 118.68 112.11 1rxk s LEU 109 Ca 0.04 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1rxk s LEU 109 Cb -0.00 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1rxk s LEU 109 CO -0.03 -0.01 0.00 -0.22 0.23 0.00 0.00 176.35 176.32 1rxk s LEU 110 N 1.15 3.75 -0.19 1.79 2.96 0.17 -1.27 118.68 127.04 1rxk s LEU 110 Ca -0.03 -1.10 -0.06 0.00 -0.22 0.00 0.00 54.13 52.72 1rxk s LEU 110 Cb -0.14 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1rxk s LEU 110 CO -0.04 -0.23 0.02 -0.89 -1.32 0.00 0.00 176.35 173.89 1rxk s THR 111 N 1.31 4.19 0.09 3.68 2.01 0.02 -0.87 115.64 126.06 1rxk s THR 111 Ca -0.03 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1rxk s THR 111 Cb -0.19 -2.89 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 1rxk s THR 111 CO -0.01 0.44 0.44 -0.44 -0.69 0.00 0.00 174.62 174.35 1rxk s SER 112 N 0.81 6.70 0.12 3.53 0.01 0.13 -1.19 113.70 123.81 1rxk s SER 112 Ca 0.01 0.88 -0.31 0.00 1.31 0.00 0.00 55.95 57.84 1rxk s SER 112 Cb -0.14 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 1rxk s SER 112 CO 0.02 0.17 1.35 -0.83 0.41 0.00 0.00 173.24 174.36 1rxk s GLY 113 N -1.69 2.11 0.14 3.44 0.00 0.02 -4.84 107.32 106.49 1rxk s GLY 113 Ca 0.33 1.08 0.00 0.00 0.00 0.00 0.00 44.72 46.13 1rxk s GLY 113 CO 0.18 2.26 0.02 -0.51 0.00 0.00 0.00 173.10 175.04 1rxk s THR 114 N 0.94 0.39 0.99 0.90 -4.23 -1.26 -4.99 115.64 108.38 1rxk s THR 114 Ca 0.62 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1rxk s THR 114 Cb -0.36 -1.99 0.18 0.00 1.34 0.00 0.00 72.50 71.67 1rxk s THR 114 CO 0.31 -0.55 1.08 0.42 -0.54 0.00 0.00 174.62 175.34 1rxk s THR 115 N -3.85 2.31 0.26 3.99 -4.23 -1.26 -4.84 115.64 108.02 1rxk s THR 115 Ca 0.21 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1rxk s THR 115 Cb 0.07 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.67 1rxk s THR 115 CO 0.01 -0.13 1.88 -0.33 -0.54 0.00 0.00 174.62 175.51 1rxk h GLU 116 N -1.92 1.13 0.00 3.99 5.08 -2.01 -1.88 114.58 118.96 1rxk h GLU 116 Ca -0.53 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 57.67 1rxk h GLU 116 Cb 1.31 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1rxk h GLU 116 CO 0.53 0.84 -0.09 0.00 -1.00 0.00 0.00 179.01 179.29 1rxk h ALA 117 N 1.34 1.25 -0.19 3.43 0.00 -2.07 -2.56 119.26 120.45 1rxk h ALA 117 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rxk h ALA 117 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rxk h ALA 117 CO -0.04 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1rxk n ASN 118 N -3.55 2.91 -0.04 0.00 3.02 -0.76 -4.62 115.26 112.22 1rxk n ASN 118 Ca -0.02 -1.87 0.02 0.00 -0.03 0.00 0.00 54.58 52.69 1rxk n ASN 118 Cb 0.22 -0.12 0.36 0.00 -0.61 0.00 0.00 39.78 39.63 1rxk n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rxk h ALA 119 N 3.76 1.57 -0.13 5.41 0.00 -0.99 -2.31 119.26 126.58 1rxk h ALA 119 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rxk h ALA 119 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1rxk h ALA 119 CO 0.00 0.36 0.11 0.11 0.00 0.00 0.00 179.25 179.83 1rxk h TRP 120 N 0.63 0.00 -0.39 0.00 5.08 -1.82 -0.93 115.95 118.52 1rxk h TRP 120 Ca 0.16 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.07 1rxk h TRP 120 Cb 0.03 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.15 1rxk h TRP 120 CO 0.00 0.00 0.04 0.36 -1.28 0.00 0.00 178.44 177.56 1rxk n LYS 121 N -4.16 3.13 0.24 0.12 2.85 -0.87 -4.71 118.16 114.75 1rxk n LYS 121 Ca 0.00 -2.97 0.14 0.00 -1.05 0.00 0.00 58.31 54.43 1rxk n LYS 121 Cb 0.23 -1.95 0.42 0.00 -0.65 0.00 0.00 35.03 33.08 1rxk n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rxk h SER 122 N 2.08 0.00 -3.29 -5.58 4.64 -1.20 -3.45 113.55 106.75 1rxk h SER 122 Ca 0.07 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.85 1rxk h SER 122 Cb 1.69 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.43 1rxk h SER 122 CO 0.36 0.00 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.61 1rxk s THR 123 N -3.41 1.26 0.11 2.95 2.01 -1.26 -0.70 115.64 116.60 1rxk s THR 123 Ca 0.04 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1rxk s THR 123 Cb 0.07 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1rxk s THR 123 CO 0.60 0.39 0.23 -0.13 -0.69 0.00 0.00 174.62 175.03 1rxk s ARG 124 N 1.07 3.38 0.03 4.92 0.52 -0.05 -4.93 118.95 123.88 1rxk s ARG 124 Ca -0.06 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1rxk s ARG 124 Cb -0.15 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1rxk s ARG 124 CO -0.02 0.56 -0.11 0.54 0.02 0.00 0.00 175.30 176.29 1rxk s VAL 125 N -1.63 0.82 0.00 3.52 0.11 -1.26 -0.66 120.40 121.30 1rxk s VAL 125 Ca 0.34 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1rxk s VAL 125 Cb -0.12 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1rxk s VAL 125 CO 0.28 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1rxk n GLY 126 N 2.10 1.68 2.96 6.54 0.00 -0.73 -4.99 105.19 112.74 1rxk n GLY 126 Ca -0.18 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1rxk n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1rxk s HIS 127 N -6.69 -0.12 -0.05 1.61 -3.43 -1.26 -0.32 115.29 105.03 1rxk s HIS 127 Ca 0.00 0.32 0.04 0.00 -0.80 0.00 0.00 55.06 54.62 1rxk s HIS 127 Cb 0.00 0.00 -0.00 0.00 -1.43 0.00 0.00 32.58 31.15 1rxk s HIS 127 CO 0.00 -0.08 -0.18 -0.51 -2.00 0.00 0.00 174.74 171.97 1rxk s ASP 128 N 0.33 2.33 -0.24 7.38 1.01 -0.94 -4.98 116.67 121.56 1rxk s ASP 128 Ca -0.02 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 1rxk s ASP 128 Cb -0.03 -0.69 -0.00 0.00 1.01 0.00 0.00 42.92 43.20 1rxk s ASP 128 CO -0.01 0.16 -0.01 -0.89 0.21 0.00 0.00 175.17 174.63 1rxk s THR 129 N 0.06 3.54 -0.15 -1.27 2.01 -1.26 -1.44 115.64 117.13 1rxk s THR 129 Ca -0.05 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 1rxk s THR 129 Cb -0.12 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1rxk s THR 129 CO 0.03 0.31 0.23 -0.36 -0.69 0.00 0.00 174.62 174.13 1rxk s PHE 130 N 1.48 3.50 0.34 4.92 0.40 0.03 -3.57 117.98 125.07 1rxk s PHE 130 Ca 0.04 0.54 0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1rxk s PHE 130 Cb -0.15 -2.21 -0.07 0.00 0.51 0.00 0.00 43.02 41.10 1rxk s PHE 130 CO -0.01 0.39 -0.00 0.95 0.70 0.00 0.00 175.22 177.24 1rxk s THR 131 N 0.01 1.63 -0.75 0.64 -4.23 -0.22 -1.23 115.64 111.48 1rxk s THR 131 Ca 0.14 -2.05 0.26 0.00 -1.18 0.00 0.00 61.69 58.86 1rxk s THR 131 Cb -0.13 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.26 1rxk s THR 131 CO 0.03 -0.11 1.79 0.29 -0.54 0.00 0.00 174.62 176.08 1rxk n LYS 132 N -0.74 0.23 -4.37 3.99 5.02 -1.26 -1.17 118.16 119.87 1rxk n LYS 132 Ca -0.04 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 1rxk n LYS 132 Cb 0.65 -1.77 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 1rxk n LYS 132 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1rxk s VAL 133 N -3.10 2.58 -1.89 -0.18 -7.23 -1.26 -4.85 120.40 104.48 1rxk s VAL 133 Ca 0.11 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1rxk s VAL 133 Cb 0.13 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1rxk s VAL 133 CO 0.58 -0.02 0.47 0.29 -0.31 0.00 0.00 175.10 176.11