#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxp s LYS 3 N 0.00 3.38 -0.10 1.97 2.20 -1.26 -1.41 119.74 124.52 1nxp s LYS 3 Ca 0.00 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1nxp s LYS 3 Cb 0.00 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.68 1nxp s LYS 3 CO 0.00 0.21 -0.16 0.42 -0.36 0.00 0.00 175.35 175.45 1nxp s ILE 4 N 0.37 2.78 -0.25 5.43 1.01 0.08 -0.68 121.20 129.95 1nxp s ILE 4 Ca -0.11 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 1nxp s ILE 4 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1nxp s ILE 4 CO 0.06 0.55 0.14 -0.22 0.00 0.00 0.00 174.94 175.46 1nxp s LEU 5 N 0.10 3.89 -0.31 2.97 2.96 -0.33 -1.63 118.68 126.34 1nxp s LEU 5 Ca -0.08 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1nxp s LEU 5 Cb -0.15 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1nxp s LEU 5 CO 0.05 0.02 0.12 -0.63 -1.32 0.00 0.00 176.35 174.59 1nxp s ILE 6 N 1.34 4.34 -0.38 6.68 1.01 -0.49 -1.07 121.20 132.63 1nxp s ILE 6 Ca 0.06 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1nxp s ILE 6 Cb -0.15 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 39.15 1nxp s ILE 6 CO 0.06 0.06 0.18 -0.69 0.00 0.00 0.00 174.94 174.55 1nxp s VAL 7 N 1.56 4.03 -0.18 2.92 1.01 0.15 -1.12 120.40 128.76 1nxp s VAL 7 Ca 0.04 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 1nxp s VAL 7 Cb -0.17 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1nxp s VAL 7 CO 0.05 -0.33 0.44 -0.62 0.00 0.00 0.00 175.10 174.64 1nxp s ASP 8 N 1.70 -0.56 0.00 3.32 3.68 -0.61 -0.99 116.67 123.21 1nxp s ASP 8 Ca 0.01 0.97 0.27 0.00 2.13 0.00 0.00 52.55 55.93 1nxp s ASP 8 Cb -0.21 0.87 0.96 0.00 -1.45 0.00 0.00 42.92 43.09 1nxp s ASP 8 CO 0.03 -0.20 1.70 -0.90 0.13 0.00 0.00 175.17 175.93 1nxp n ASP 9 N 4.31 0.49 -4.59 -0.34 5.75 -1.26 -4.26 116.55 116.66 1nxp n ASP 9 Ca -0.22 -0.35 -0.38 0.00 -0.01 0.00 0.00 54.79 53.82 1nxp n ASP 9 Cb 0.55 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 1nxp n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1nxp s GLU 10 N -2.71 3.91 0.20 0.11 2.02 -1.26 -5.00 118.70 115.97 1nxp s GLU 10 Ca 0.21 -0.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.81 1nxp s GLU 10 Cb 0.19 -3.68 0.14 0.00 0.10 0.00 0.00 34.13 30.88 1nxp s GLU 10 CO 0.55 -0.23 1.77 -0.22 0.02 0.00 0.00 175.26 177.16 1nxp h LYS 11 N 8.35 1.10 -0.67 1.61 1.63 -1.99 -2.04 116.57 124.56 1nxp h LYS 11 Ca -0.34 -0.19 0.05 0.00 -0.85 0.00 0.00 60.65 59.32 1nxp h LYS 11 Cb 1.18 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.58 1nxp h LYS 11 CO 0.58 0.89 0.39 -1.35 -3.45 0.00 0.00 179.45 176.50 1nxp h PRO 12 N 1.06 0.71 -0.23 1.90 0.11 -1.98 -1.05 132.00 132.53 1nxp h PRO 12 Ca 0.25 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 1nxp h PRO 12 Cb 0.18 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1nxp h PRO 12 CO -0.02 0.47 -0.39 0.82 -0.21 0.00 0.00 178.00 178.67 1nxp h ILE 13 N 0.73 1.32 -0.75 4.15 1.08 -1.98 -2.77 117.51 119.29 1nxp h ILE 13 Ca 0.29 -1.60 0.11 0.00 -0.39 0.00 0.00 64.86 63.28 1nxp h ILE 13 Cb 0.14 1.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.58 1nxp h ILE 13 CO -0.16 0.50 0.36 -1.28 -0.69 0.00 0.00 178.15 176.88 1nxp h SER 14 N 0.37 0.45 -0.47 1.72 0.87 -1.25 -1.91 113.55 113.33 1nxp h SER 14 Ca 0.02 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1nxp h SER 14 Cb 0.98 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 1nxp h SER 14 CO 0.09 0.23 -0.04 0.44 -0.53 0.00 0.00 176.83 177.02 1nxp h ASP 15 N 0.58 0.89 -0.40 6.23 3.45 -1.14 0.58 116.42 126.61 1nxp h ASP 15 Ca 0.38 -0.25 -0.06 0.00 0.43 0.00 0.00 57.03 57.53 1nxp h ASP 15 Cb 0.46 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1nxp h ASP 15 CO -0.31 0.97 0.03 0.40 -1.57 0.00 0.00 179.24 178.76 1nxp h ILE 16 N 0.83 1.25 -0.35 0.35 2.04 -1.16 -0.63 117.51 119.84 1nxp h ILE 16 Ca 0.15 -0.95 -0.13 0.00 1.00 0.00 0.00 64.86 64.93 1nxp h ILE 16 Cb 0.55 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1nxp h ILE 16 CO 0.03 0.32 -0.29 0.40 0.00 0.00 0.00 178.15 178.62 1nxp h ILE 17 N 0.52 1.29 -0.34 -0.67 2.04 -1.11 -1.81 117.51 117.44 1nxp h ILE 17 Ca 0.12 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.54 1nxp h ILE 17 Cb 0.43 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1nxp h ILE 17 CO 0.02 0.48 0.18 0.50 0.00 0.00 0.00 178.15 179.32 1nxp h LYS 18 N 0.59 0.36 -0.06 2.37 3.64 -0.77 0.19 116.57 122.89 1nxp h LYS 18 Ca 0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1nxp h LYS 18 Cb 0.86 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1nxp h LYS 18 CO 0.07 0.24 -0.07 0.35 -2.27 0.00 0.00 179.45 177.77 1nxp h PHE 19 N 0.37 -0.17 -0.41 1.91 3.57 -0.99 0.32 116.94 121.55 1nxp h PHE 19 Ca 0.14 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1nxp h PHE 19 Cb 0.03 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1nxp h PHE 19 CO -0.09 -0.11 0.06 -0.91 -2.23 0.00 0.00 178.31 175.03 1nxp h ASN 20 N -0.09 0.65 -0.55 0.41 -0.26 -1.06 -1.63 115.58 113.05 1nxp h ASN 20 Ca 0.05 -0.26 -0.05 0.00 -0.56 0.00 0.00 56.30 55.47 1nxp h ASN 20 Cb 0.16 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 1nxp h ASN 20 CO -0.12 0.75 0.15 0.24 -1.06 0.00 0.00 177.43 177.40 1nxp h MET 21 N 0.53 0.92 -0.55 0.81 2.86 -0.46 -2.74 114.93 116.31 1nxp h MET 21 Ca 0.12 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1nxp h MET 21 Cb 0.38 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1nxp h MET 21 CO 0.01 0.82 0.30 1.15 1.06 0.00 0.00 176.91 180.25 1nxp h THR 22 N 0.89 1.18 0.00 2.22 2.02 -0.82 -2.50 112.91 115.89 1nxp h THR 22 Ca 0.19 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1nxp h THR 22 Cb 0.31 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1nxp h THR 22 CO -0.00 0.19 -0.03 0.11 0.37 0.00 0.00 175.52 176.16 1nxp h LYS 23 N 0.73 0.00 -0.00 6.66 1.57 -1.09 -0.65 116.57 123.80 1nxp h LYS 23 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1nxp h LYS 23 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1nxp h LYS 23 CO -0.03 0.03 -0.05 0.39 -0.57 0.00 0.00 179.45 179.23 1nxp n GLU 24 N -4.44 0.19 -0.07 3.15 -0.58 -1.05 -4.95 120.64 112.89 1nxp n GLU 24 Ca -0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1nxp n GLU 24 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1nxp n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nxp n GLY 25 N 1.42 0.97 3.81 0.62 0.00 -0.25 -5.09 105.19 106.66 1nxp n GLY 25 Ca 0.10 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1nxp n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nxp s TYR 26 N -2.00 3.44 -0.01 1.61 1.51 -0.97 -4.42 117.35 116.51 1nxp s TYR 26 Ca 0.00 1.67 -0.28 0.00 -1.01 0.00 0.00 57.07 57.45 1nxp s TYR 26 Cb 0.00 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 1nxp s TYR 26 CO 0.00 -0.02 0.90 -2.00 -1.11 0.00 0.00 175.55 173.32 1nxp s GLU 27 N -2.78 4.53 -0.15 -0.62 2.12 -0.50 -4.28 118.70 117.02 1nxp s GLU 27 Ca 0.58 1.27 -0.02 0.00 0.36 0.00 0.00 54.97 57.15 1nxp s GLU 27 Cb -0.13 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1nxp s GLU 27 CO 0.17 0.01 -0.08 0.08 -0.54 0.00 0.00 175.26 174.91 1nxp s VAL 28 N 0.85 3.49 0.06 3.70 1.01 -1.26 -0.74 120.40 127.51 1nxp s VAL 28 Ca 0.47 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1nxp s VAL 28 Cb -0.20 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1nxp s VAL 28 CO 0.25 0.50 -0.15 0.68 0.00 0.00 0.00 175.10 176.38 1nxp s VAL 29 N 0.49 3.03 0.13 2.92 -7.23 -0.64 -4.98 120.40 114.11 1nxp s VAL 29 Ca -0.06 -1.22 0.09 0.00 -1.81 0.00 0.00 61.98 58.99 1nxp s VAL 29 Cb -0.15 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1nxp s VAL 29 CO 0.03 0.25 -0.22 0.42 -0.31 0.00 0.00 175.10 175.27 1nxp s THR 30 N -1.04 1.93 0.01 5.32 -4.23 -1.26 -1.40 115.64 114.98 1nxp s THR 30 Ca 0.17 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1nxp s THR 30 Cb -0.11 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 1nxp s THR 30 CO 0.08 -0.08 -0.02 0.00 -0.54 0.00 0.00 174.62 174.06 1nxp s ALA 31 N -1.36 0.12 -0.45 3.99 0.00 -0.28 -4.94 121.76 118.85 1nxp s ALA 31 Ca 0.11 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1nxp s ALA 31 Cb -0.09 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1nxp s ALA 31 CO 0.06 -0.08 0.70 1.19 0.00 0.00 0.00 175.76 177.63 1nxp n PHE 32 N 2.17 0.03 -3.95 0.00 3.01 -1.26 -1.57 117.46 115.89 1nxp n PHE 32 Ca -0.19 -0.09 -0.12 0.00 1.01 0.00 0.00 57.45 58.06 1nxp n PHE 32 Cb 0.57 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.02 1nxp n PHE 32 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1nxp s ASN 33 N -0.44 0.50 0.24 4.37 2.20 -1.26 -4.07 114.94 116.48 1nxp s ASN 33 Ca 0.05 -1.34 0.04 0.00 -0.94 0.00 0.00 52.86 50.68 1nxp s ASN 33 Cb 0.03 0.76 0.25 0.00 -2.00 0.00 0.00 41.25 40.30 1nxp s ASN 33 CO 0.05 -1.51 1.56 1.23 -2.94 0.00 0.00 177.10 175.50 1nxp h GLY 34 N 2.05 0.26 0.77 0.45 0.00 -1.91 -0.75 103.07 103.94 1nxp h GLY 34 Ca -0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1nxp h GLY 34 CO 0.40 0.29 -0.10 -0.09 0.00 0.00 0.00 176.54 177.04 1nxp h ARG 35 N 0.18 -0.26 -0.65 4.80 2.43 -1.98 -2.24 114.38 116.67 1nxp h ARG 35 Ca -0.01 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1nxp h ARG 35 Cb 1.10 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1nxp h ARG 35 CO 0.09 0.00 0.43 0.93 -1.51 0.00 0.00 179.97 179.91 1nxp h GLU 36 N -0.50 0.69 -0.19 0.20 5.08 -1.95 -1.81 114.58 116.11 1nxp h GLU 36 Ca -0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nxp h GLU 36 Cb 0.38 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1nxp h GLU 36 CO 0.05 0.46 0.06 0.00 -1.00 0.00 0.00 179.01 178.58 1nxp h ALA 37 N 1.63 0.21 -0.47 3.43 0.00 -0.92 -0.04 119.26 123.11 1nxp h ALA 37 Ca 0.27 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1nxp h ALA 37 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nxp h ALA 37 CO -0.08 -0.37 -0.13 -0.07 0.00 0.00 0.00 179.25 178.60 1nxp h LEU 38 N 0.15 0.87 -0.43 0.00 3.38 -1.11 -0.14 115.31 118.02 1nxp h LEU 38 Ca 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nxp h LEU 38 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1nxp h LEU 38 CO -0.09 1.01 0.23 -0.33 0.09 0.00 0.00 178.44 179.36 1nxp h GLU 39 N 0.78 0.61 -0.30 1.13 5.08 -0.98 -0.98 114.58 119.92 1nxp h GLU 39 Ca 0.12 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 1nxp h GLU 39 Cb 0.65 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nxp h GLU 39 CO 0.05 0.49 -0.53 1.96 -1.00 0.00 0.00 179.01 179.97 1nxp h GLN 40 N 0.56 0.88 -0.36 2.33 1.08 -0.87 -1.54 115.11 117.19 1nxp h GLN 40 Ca 0.15 -0.55 0.05 0.00 -1.45 0.00 0.00 58.65 56.85 1nxp h GLN 40 Cb 0.06 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1nxp h GLN 40 CO -0.02 1.19 0.11 0.35 -0.95 0.00 0.00 178.83 179.50 1nxp h PHE 41 N 0.68 0.19 -0.37 2.96 3.57 -0.90 0.19 116.94 123.26 1nxp h PHE 41 Ca 0.02 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 1nxp h PHE 41 Cb 1.14 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1nxp h PHE 41 CO 0.07 0.07 -0.15 0.93 -2.23 0.00 0.00 178.31 177.00 1nxp h GLU 42 N 0.25 0.75 0.17 1.11 5.08 -1.00 -2.18 114.58 118.77 1nxp h GLU 42 Ca 0.17 -0.31 -0.30 0.00 -1.00 0.00 0.00 59.36 57.91 1nxp h GLU 42 Cb 0.16 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1nxp h GLU 42 CO -0.19 0.93 -1.40 0.00 -1.00 0.00 0.00 179.01 177.35 1nxp h ALA 43 N 0.81 0.04 0.00 3.43 0.00 -1.08 -3.38 119.26 119.09 1nxp h ALA 43 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1nxp h ALA 43 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1nxp h ALA 43 CO 0.05 0.91 -1.81 0.39 0.00 0.00 0.00 179.25 178.79 1nxp n GLU 44 N -3.58 0.57 -3.77 0.00 -0.58 0.64 -5.02 120.64 108.89 1nxp n GLU 44 Ca -0.13 -0.16 -0.33 0.00 -0.42 0.00 0.00 57.16 56.12 1nxp n GLU 44 Cb 1.06 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 30.42 1nxp n GLU 44 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1nxp n GLN 45 N -2.18 -1.40 -1.51 3.49 6.02 -0.82 -4.90 117.38 116.07 1nxp n GLN 45 Ca -0.03 0.40 -0.34 0.00 -0.01 0.00 0.00 57.00 57.02 1nxp n GLN 45 Cb 0.54 -3.98 0.08 0.00 1.02 0.00 0.00 30.24 27.90 1nxp n GLN 45 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nxp s PRO 46 N -6.25 2.29 0.29 -1.09 0.04 -1.26 -4.94 135.00 124.08 1nxp s PRO 46 Ca 0.41 1.67 0.16 0.00 0.04 0.00 0.00 61.00 63.28 1nxp s PRO 46 Cb -0.16 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.63 1nxp s PRO 46 CO 0.88 -1.70 1.47 -0.44 0.04 0.00 0.00 177.00 177.25 1nxp h ASP 47 N -0.22 0.00 -5.00 6.66 5.19 -1.25 -3.47 116.42 118.33 1nxp h ASP 47 Ca -0.47 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.85 1nxp h ASP 47 Cb 1.28 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.60 1nxp h ASP 47 CO 0.51 0.47 -0.03 -0.51 -3.12 0.00 0.00 179.24 176.55 1nxp s ILE 48 N -3.00 0.03 -0.10 0.35 2.07 -1.18 -4.15 121.20 115.22 1nxp s ILE 48 Ca 0.04 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1nxp s ILE 48 Cb 0.07 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.83 1nxp s ILE 48 CO 0.74 -0.14 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.80 1nxp s ILE 49 N -1.50 1.78 -0.27 2.00 1.01 -0.54 -1.18 121.20 122.50 1nxp s ILE 49 Ca -0.11 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1nxp s ILE 49 Cb -0.02 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1nxp s ILE 49 CO 0.05 0.50 0.20 -0.63 0.00 0.00 0.00 174.94 175.07 1nxp s ILE 50 N 0.62 5.30 -0.21 2.92 1.01 -0.23 -0.82 121.20 129.80 1nxp s ILE 50 Ca -0.13 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1nxp s ILE 50 Cb -0.16 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1nxp s ILE 50 CO 0.04 0.25 -0.11 -0.22 0.00 0.00 0.00 174.94 174.90 1nxp s LEU 51 N 1.70 2.45 0.31 2.97 2.96 0.57 -0.68 118.68 128.96 1nxp s LEU 51 Ca 0.08 -0.95 -0.23 0.00 -0.22 0.00 0.00 54.13 52.80 1nxp s LEU 51 Cb -0.16 -1.30 -0.10 0.00 0.50 0.00 0.00 46.19 45.14 1nxp s LEU 51 CO 0.10 -0.14 0.88 1.51 -1.32 0.00 0.00 176.35 177.38 1nxp s ASP 52 N 1.34 7.20 0.47 3.68 1.47 -0.17 -1.06 116.67 129.60 1nxp s ASP 52 Ca -0.02 1.69 0.23 0.00 1.18 0.00 0.00 52.55 55.63 1nxp s ASP 52 Cb -0.17 -2.52 1.14 0.00 -0.34 0.00 0.00 42.92 41.03 1nxp s ASP 52 CO -0.08 -0.08 1.95 -0.07 0.68 0.00 0.00 175.17 177.57 1nxp h LEU 53 N 3.05 0.00 -7.60 2.11 4.07 -1.84 -3.40 115.31 111.70 1nxp h LEU 53 Ca -0.47 0.00 -0.80 0.00 0.08 0.00 0.00 57.88 56.69 1nxp h LEU 53 Cb 1.19 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.65 1nxp h LEU 53 CO 0.65 0.21 0.38 -0.04 -1.08 0.00 0.00 178.44 178.55 1nxp s MET 54 N -4.06 4.08 -0.12 1.13 -1.94 -1.26 -2.19 119.30 114.94 1nxp s MET 54 Ca -0.02 -3.10 -0.04 0.00 -1.71 0.00 0.00 55.69 50.82 1nxp s MET 54 Cb 0.13 -4.52 0.06 0.00 2.01 0.00 0.00 34.83 32.51 1nxp s MET 54 CO 0.63 -1.25 0.21 -1.17 -0.01 0.00 0.00 175.02 173.43 1nxp s LEU 55 N -1.03 -0.16 0.00 -0.03 0.20 -1.26 -4.52 118.68 111.88 1nxp s LEU 55 Ca 0.28 0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.44 1nxp s LEU 55 Cb -0.10 0.44 0.00 0.00 -0.43 0.00 0.00 46.19 46.10 1nxp s LEU 55 CO -0.08 -0.26 0.00 -2.65 -0.29 0.00 0.00 176.35 173.07 1nxp n PRO 56 N 5.33 0.00 -2.41 0.98 -0.02 -1.26 -4.30 135.00 133.33 1nxp n PRO 56 Ca -0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 1nxp n PRO 56 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 1nxp n PRO 56 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1nxp s GLU 57 N 0.00 3.07 0.00 -0.52 2.12 -1.26 -2.07 118.70 120.04 1nxp s GLU 57 Ca 0.00 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1nxp s GLU 57 Cb 0.00 -4.40 0.00 0.00 0.26 0.00 0.00 34.13 29.99 1nxp s GLU 57 CO 0.00 -2.35 0.00 1.51 -0.54 0.00 0.00 175.26 173.88 1nxp n ILE 58 N 6.71 0.00 0.03 -3.70 3.06 -1.26 -5.03 119.36 119.16 1nxp n ILE 58 Ca 0.12 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.21 1nxp n ILE 58 Cb 0.50 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.62 1nxp n ILE 58 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1nxp h ASP 59 N 0.32 0.77 -0.61 9.51 1.82 -1.57 -1.64 116.42 125.02 1nxp h ASP 59 Ca 0.00 -0.57 0.02 0.00 -0.39 0.00 0.00 57.03 56.10 1nxp h ASP 59 Cb 0.00 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 39.74 1nxp h ASP 59 CO 0.00 1.36 0.38 1.23 -1.61 0.00 0.00 179.24 180.60 1nxp h GLY 60 N 0.78 0.87 1.00 -0.78 0.00 -1.65 0.13 103.07 103.41 1nxp h GLY 60 Ca -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1nxp h GLY 60 CO 0.17 0.25 0.30 1.41 0.00 0.00 0.00 176.54 178.67 1nxp h LEU 61 N 0.75 0.85 -0.68 3.11 3.38 -1.78 -1.76 115.31 119.19 1nxp h LEU 61 Ca 0.24 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1nxp h LEU 61 Cb -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1nxp h LEU 61 CO -0.09 0.75 0.19 -0.08 0.09 0.00 0.00 178.44 179.30 1nxp h GLU 62 N 0.89 1.06 -0.18 1.13 4.57 -1.07 -1.05 114.58 119.93 1nxp h GLU 62 Ca 0.22 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1nxp h GLU 62 Cb 0.13 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1nxp h GLU 62 CO -0.03 0.93 0.05 0.28 -1.18 0.00 0.00 179.01 179.07 1nxp h VAL 63 N 1.00 0.94 -0.21 0.32 2.07 -0.43 0.11 116.25 120.05 1nxp h VAL 63 Ca 0.22 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1nxp h VAL 63 Cb 0.33 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1nxp h VAL 63 CO -0.00 0.03 0.12 0.00 0.02 0.00 0.00 177.57 177.73 1nxp h ALA 64 N 1.12 0.27 -0.60 1.67 0.00 -1.20 -0.73 119.26 119.78 1nxp h ALA 64 Ca 0.08 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1nxp h ALA 64 Cb 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 1nxp h ALA 64 CO -0.09 -0.20 0.10 -0.22 0.00 0.00 0.00 179.25 178.84 1nxp h LYS 65 N 0.24 0.22 0.05 0.00 3.64 -0.98 -1.65 116.57 118.07 1nxp h LYS 65 Ca 0.07 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.20 1nxp h LYS 65 Cb 0.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1nxp h LYS 65 CO -0.01 0.14 -1.05 0.00 -2.27 0.00 0.00 179.45 176.27 1nxp h THR 66 N 0.23 1.44 -0.69 1.00 1.03 -0.33 -2.99 112.91 112.59 1nxp h THR 66 Ca 0.32 -2.66 0.09 0.00 -0.01 0.00 0.00 66.41 64.14 1nxp h THR 66 Cb 0.49 2.61 -0.07 0.00 -1.07 0.00 0.00 68.15 70.10 1nxp h THR 66 CO -0.43 0.79 0.34 0.40 -0.01 0.00 0.00 175.52 176.61 1nxp h ILE 67 N 0.17 0.86 0.00 0.00 2.04 -1.00 -2.11 117.51 117.48 1nxp h ILE 67 Ca -0.10 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1nxp h ILE 67 Cb 1.71 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1nxp h ILE 67 CO 0.18 0.11 0.00 0.03 0.00 0.00 0.00 178.15 178.47 1nxp h ARG 68 N 0.60 0.00 -0.88 2.37 2.47 -1.16 -1.79 114.38 115.99 1nxp h ARG 68 Ca 0.33 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.09 1nxp h ARG 68 Cb 0.33 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 1nxp h ARG 68 CO -0.25 0.00 0.58 0.87 0.56 0.00 0.00 179.97 181.72 1nxp h LYS 69 N 0.00 1.06 0.00 0.04 1.57 -1.28 -3.36 116.57 114.60 1nxp h LYS 69 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1nxp h LYS 69 Cb 0.21 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1nxp h LYS 69 CO 0.00 0.70 -1.27 0.25 -0.57 0.00 0.00 179.45 178.56 1nxp n THR 70 N -4.45 0.02 -3.90 -0.16 -2.24 -0.75 -5.08 114.28 97.74 1nxp n THR 70 Ca 0.12 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1nxp n THR 70 Cb 0.11 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 1nxp n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nxp s SER 71 N -2.73 0.06 -0.06 3.42 0.15 -0.77 -5.02 113.70 108.75 1nxp s SER 71 Ca -0.02 -0.17 0.16 0.00 0.70 0.00 0.00 55.95 56.63 1nxp s SER 71 Cb 0.04 0.14 0.59 0.00 -1.71 0.00 0.00 66.02 65.08 1nxp s SER 71 CO 0.24 -0.20 1.48 -1.54 1.20 0.00 0.00 173.24 174.41 1nxp n SER 72 N 2.16 3.82 -4.61 5.45 3.41 -1.26 -4.16 113.62 118.43 1nxp n SER 72 Ca -0.19 -2.25 -0.50 0.00 -0.26 0.00 0.00 58.87 55.67 1nxp n SER 72 Cb 0.57 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1nxp n SER 72 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1nxp n VAL 73 N 1.04 0.16 -1.71 -3.33 3.14 -1.26 -4.86 118.33 111.51 1nxp n VAL 73 Ca 0.21 -0.04 -0.43 0.00 -2.96 0.00 0.00 64.34 61.12 1nxp n VAL 73 Cb 0.69 -1.02 -0.02 0.00 -1.06 0.00 0.00 33.84 32.43 1nxp n VAL 73 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1nxp n PRO 74 N 2.60 2.37 -4.61 1.45 -0.02 -1.26 -4.88 135.00 130.66 1nxp n PRO 74 Ca 0.17 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 62.20 1nxp n PRO 74 Cb 0.23 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 1nxp n PRO 74 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nxp s ILE 75 N -0.17 1.71 -0.25 4.25 1.01 -1.26 -1.46 121.20 125.03 1nxp s ILE 75 Ca 0.64 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1nxp s ILE 75 Cb -0.56 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 1nxp s ILE 75 CO 0.51 0.48 0.01 -0.22 0.00 0.00 0.00 174.94 175.72 1nxp s LEU 76 N 0.85 3.31 0.02 2.97 0.20 0.00 -0.48 118.68 125.55 1nxp s LEU 76 Ca -0.08 -0.54 -0.14 0.00 0.69 0.00 0.00 54.13 54.07 1nxp s LEU 76 Cb -0.15 -1.80 -0.06 0.00 -0.43 0.00 0.00 46.19 43.75 1nxp s LEU 76 CO -0.00 -0.09 0.40 -0.04 -0.29 0.00 0.00 176.35 176.33 1nxp s MET 77 N 1.48 3.88 -0.05 1.98 -1.94 -0.46 -0.32 119.30 123.87 1nxp s MET 77 Ca 0.04 0.36 0.04 0.00 -1.71 0.00 0.00 55.69 54.42 1nxp s MET 77 Cb -0.16 -3.17 -0.00 0.00 2.01 0.00 0.00 34.83 33.51 1nxp s MET 77 CO -0.01 0.66 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.98 1nxp s LEU 78 N -1.26 1.93 -0.27 -0.03 1.43 -0.23 -0.52 118.68 119.74 1nxp s LEU 78 Ca 0.26 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 1nxp s LEU 78 Cb -0.16 -1.03 0.11 0.00 0.03 0.00 0.00 46.19 45.15 1nxp s LEU 78 CO 0.14 0.16 0.98 -0.55 0.23 0.00 0.00 176.35 177.31 1nxp s SER 79 N 0.05 -0.49 0.54 2.29 0.15 -0.94 -2.56 113.70 112.74 1nxp s SER 79 Ca -0.05 0.91 0.26 0.00 0.70 0.00 0.00 55.95 57.78 1nxp s SER 79 Cb -0.12 0.91 1.55 0.00 -1.71 0.00 0.00 66.02 66.65 1nxp s SER 79 CO 0.03 -0.19 2.15 0.00 1.20 0.00 0.00 173.24 176.42 1nxp h ALA 80 N 4.16 1.48 -2.40 5.45 0.00 -1.88 -0.91 119.26 125.15 1nxp h ALA 80 Ca -0.28 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 1nxp h ALA 80 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nxp h ALA 80 CO 0.12 0.09 0.74 0.15 0.00 0.00 0.00 179.25 180.34 1nxp s LYS 81 N -4.49 4.33 -0.01 0.00 1.02 -1.26 -4.71 119.74 114.62 1nxp s LYS 81 Ca -0.04 1.87 0.02 0.00 0.02 0.00 0.00 55.97 57.84 1nxp s LYS 81 Cb 0.15 -3.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1nxp s LYS 81 CO 0.59 -0.47 0.79 -0.40 -0.92 0.00 0.00 175.35 174.94 1nxp n ASP 82 N 4.87 0.93 -4.81 2.83 5.75 -1.26 -4.83 116.55 120.03 1nxp n ASP 82 Ca 0.12 -1.65 -0.30 0.00 -0.01 0.00 0.00 54.79 52.95 1nxp n ASP 82 Cb 0.45 -0.06 0.09 0.00 -1.03 0.00 0.00 41.12 40.57 1nxp n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nxp s SER 83 N -0.71 4.51 0.12 -1.12 1.04 -1.26 -4.89 113.70 111.38 1nxp s SER 83 Ca 0.03 1.25 -0.18 0.00 0.48 0.00 0.00 55.95 57.53 1nxp s SER 83 Cb 0.02 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 1nxp s SER 83 CO 0.00 -1.95 1.67 -0.08 0.98 0.00 0.00 173.24 173.86 1nxp h GLU 84 N -1.08 0.45 -0.72 4.02 4.81 -1.99 -2.14 114.58 117.93 1nxp h GLU 84 Ca -0.47 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1nxp h GLU 84 Cb 1.27 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 1nxp h GLU 84 CO 0.60 0.45 0.33 0.35 -0.73 0.00 0.00 179.01 180.02 1nxp h PHE 85 N 0.35 0.58 -0.08 0.92 3.57 -1.98 0.12 116.94 120.42 1nxp h PHE 85 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1nxp h PHE 85 Cb 0.16 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1nxp h PHE 85 CO -0.01 0.17 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.75 1nxp h ASP 86 N 0.54 0.18 -0.16 0.41 3.45 -1.81 0.92 116.42 119.96 1nxp h ASP 86 Ca 0.37 -0.42 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 1nxp h ASP 86 Cb 0.46 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1nxp h ASP 86 CO -0.32 0.56 0.05 0.11 -1.57 0.00 0.00 179.24 178.08 1nxp h LYS 87 N -0.20 0.24 -0.41 3.56 1.57 -1.17 -1.65 116.57 118.51 1nxp h LYS 87 Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1nxp h LYS 87 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1nxp h LYS 87 CO 0.01 0.36 0.24 0.28 -0.57 0.00 0.00 179.45 179.76 1nxp h VAL 88 N 0.08 1.15 -0.33 0.50 2.07 -0.70 -1.98 116.25 117.03 1nxp h VAL 88 Ca 0.05 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1nxp h VAL 88 Cb 0.21 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1nxp h VAL 88 CO -0.00 0.15 -0.38 -0.29 0.02 0.00 0.00 177.57 177.07 1nxp h ILE 89 N 0.54 1.28 -0.46 4.57 2.10 -0.73 -1.04 117.51 123.77 1nxp h ILE 89 Ca 0.15 -1.55 0.04 0.00 1.08 0.00 0.00 64.86 64.58 1nxp h ILE 89 Cb 0.03 1.44 -0.04 0.00 -1.09 0.00 0.00 36.82 37.16 1nxp h ILE 89 CO -0.03 0.51 0.21 1.23 -1.08 0.00 0.00 178.15 179.00 1nxp h GLY 90 N 0.91 0.63 1.00 8.18 0.00 -1.12 -1.40 103.07 111.28 1nxp h GLY 90 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1nxp h GLY 90 CO 0.09 0.08 -0.16 1.41 0.00 0.00 0.00 176.54 177.96 1nxp h LEU 91 N 0.42 0.82 -0.93 3.11 3.38 -1.18 -1.91 115.31 119.02 1nxp h LEU 91 Ca 0.21 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1nxp h LEU 91 Cb 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1nxp h LEU 91 CO -0.16 1.03 0.25 -0.33 0.09 0.00 0.00 178.44 179.31 1nxp h GLU 92 N 0.61 1.02 0.00 1.13 4.39 -0.99 -2.38 114.58 118.35 1nxp h GLU 92 Ca 0.09 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1nxp h GLU 92 Cb 0.71 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1nxp h GLU 92 CO 0.05 0.85 0.00 1.28 -1.16 0.00 0.00 179.01 180.03 1nxp n LEU 93 N -4.28 0.00 0.00 1.33 4.77 -0.54 -4.87 117.00 113.40 1nxp n LEU 93 Ca 0.06 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1nxp n LEU 93 Cb 0.20 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nxp n LEU 93 CO 0.40 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1nxp n GLY 94 N 0.55 0.65 3.76 -0.72 0.00 -0.90 -3.87 105.19 104.66 1nxp n GLY 94 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1nxp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxp s ALA 95 N -1.00 3.11 -0.26 4.61 0.00 -0.74 -4.70 121.76 122.78 1nxp s ALA 95 Ca 0.00 1.31 0.22 0.00 0.00 0.00 0.00 51.96 53.49 1nxp s ALA 95 Cb 0.00 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1nxp s ALA 95 CO 0.00 -1.08 1.13 -0.44 0.00 0.00 0.00 175.76 175.37 1nxp h ASP 96 N 2.19 0.00 -5.03 0.00 5.19 -1.10 -3.40 116.42 114.26 1nxp h ASP 96 Ca -0.50 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 1nxp h ASP 96 Cb 1.27 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.67 1nxp h ASP 96 CO 0.60 0.07 0.14 -0.62 -3.12 0.00 0.00 179.24 176.31 1nxp s ASP 97 N -5.57 -0.43 -0.14 6.45 -1.08 -1.18 -5.03 116.67 109.69 1nxp s ASP 97 Ca 0.01 -0.21 -0.05 0.00 -0.52 0.00 0.00 52.55 51.77 1nxp s ASP 97 Cb 0.09 0.59 0.06 0.00 -1.46 0.00 0.00 42.92 42.20 1nxp s ASP 97 CO 0.77 -1.01 0.29 -0.47 0.52 0.00 0.00 175.17 175.27 1nxp s TYR 98 N -3.80 -0.48 -0.03 -5.34 6.14 -1.26 -1.36 117.35 111.23 1nxp s TYR 98 Ca 0.04 1.05 0.05 0.00 0.64 0.00 0.00 57.07 58.85 1nxp s TYR 98 Cb -0.01 0.05 -0.01 0.00 0.42 0.00 0.00 41.96 42.41 1nxp s TYR 98 CO -0.09 -0.35 -0.17 0.08 0.64 0.00 0.00 175.55 175.66 1nxp s VAL 99 N 2.16 1.40 0.23 3.14 1.01 0.33 -4.96 120.40 123.71 1nxp s VAL 99 Ca -0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1nxp s VAL 99 Cb -0.11 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 1nxp s VAL 99 CO -0.09 0.40 0.51 0.42 0.00 0.00 0.00 175.10 176.34 1nxp s THR 100 N -0.18 5.01 -0.13 3.92 -4.23 -1.26 -2.21 115.64 116.57 1nxp s THR 100 Ca 0.01 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.69 1nxp s THR 100 Cb -0.09 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1nxp s THR 100 CO 0.01 -0.14 0.10 -0.54 -0.54 0.00 0.00 174.62 173.51 1nxp s LYS 101 N -3.04 3.52 0.41 3.99 1.02 -0.35 -3.39 119.74 121.90 1nxp s LYS 101 Ca 0.45 -0.24 -0.21 0.00 0.02 0.00 0.00 55.97 55.99 1nxp s LYS 101 Cb -0.11 -3.14 -0.11 0.00 -0.52 0.00 0.00 37.83 33.95 1nxp s LYS 101 CO 0.25 0.62 0.94 -1.25 -0.92 0.00 0.00 175.35 174.99 1nxp s PRO 102 N -0.60 4.25 0.33 -1.68 0.04 -1.26 -4.40 135.00 131.68 1nxp s PRO 102 Ca 0.12 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.38 1nxp s PRO 102 Cb -0.12 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 1nxp s PRO 102 CO 0.02 0.01 -0.07 -0.59 0.04 0.00 0.00 177.00 176.41 1nxp s PHE 103 N -2.12 2.45 -0.05 0.56 -0.12 -1.22 -5.11 117.98 112.38 1nxp s PHE 103 Ca 0.61 -0.43 -0.21 0.00 -0.05 0.00 0.00 56.93 56.84 1nxp s PHE 103 Cb -0.10 -1.34 -0.04 0.00 -0.63 0.00 0.00 43.02 40.90 1nxp s PHE 103 CO 0.14 0.57 0.62 0.45 -0.05 0.00 0.00 175.22 176.96 1nxp s SER 104 N -3.63 6.94 0.20 1.98 0.15 -1.26 -4.97 113.70 113.11 1nxp s SER 104 Ca 0.33 1.12 -0.08 0.00 0.70 0.00 0.00 55.95 58.02 1nxp s SER 104 Cb -0.00 -2.37 0.13 0.00 -1.71 0.00 0.00 66.02 62.06 1nxp s SER 104 CO 0.17 -0.01 1.73 0.78 1.20 0.00 0.00 173.24 177.12 1nxp h ASN 105 N 6.28 1.09 -0.61 5.45 -0.26 -1.99 -1.68 115.58 123.87 1nxp h ASN 105 Ca -0.43 -0.22 -0.08 0.00 -0.56 0.00 0.00 56.30 55.01 1nxp h ASN 105 Cb 1.20 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 38.14 1nxp h ASN 105 CO 0.73 1.03 0.06 0.03 -1.06 0.00 0.00 177.43 178.22 1nxp h ARG 106 N 1.11 1.05 -0.51 0.81 3.08 -1.99 -1.49 114.38 116.43 1nxp h ARG 106 Ca 0.24 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1nxp h ARG 106 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1nxp h ARG 106 CO -0.00 0.99 -0.05 1.49 -1.07 0.00 0.00 179.97 181.32 1nxp h GLU 107 N 0.97 0.95 -0.55 0.04 4.81 -1.91 -1.67 114.58 117.21 1nxp h GLU 107 Ca 0.19 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1nxp h GLU 107 Cb 0.47 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1nxp h GLU 107 CO 0.02 0.99 0.34 1.25 -0.73 0.00 0.00 179.01 180.88 1nxp h LEU 108 N 0.81 0.56 -0.58 1.64 6.46 -1.11 0.66 115.31 123.74 1nxp h LEU 108 Ca 0.14 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1nxp h LEU 108 Cb 0.60 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1nxp h LEU 108 CO 0.04 0.39 0.36 1.56 -0.62 0.00 0.00 178.44 180.17 1nxp h GLN 109 N 0.67 0.78 -0.77 1.25 4.20 -1.07 -0.70 115.11 119.48 1nxp h GLN 109 Ca 0.22 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1nxp h GLN 109 Cb 0.01 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 1nxp h GLN 109 CO -0.09 0.56 0.39 0.00 -0.67 0.00 0.00 178.83 179.02 1nxp h ALA 110 N 1.18 0.99 -0.29 3.87 0.00 -0.82 -1.61 119.26 122.59 1nxp h ALA 110 Ca 0.21 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1nxp h ALA 110 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1nxp h ALA 110 CO -0.04 0.54 -0.42 0.00 0.00 0.00 0.00 179.25 179.33 1nxp h ARG 111 N 1.08 0.70 -0.37 0.00 3.08 -0.42 -1.02 114.38 117.43 1nxp h ARG 111 Ca 0.27 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1nxp h ARG 111 Cb 0.09 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1nxp h ARG 111 CO -0.04 0.99 0.17 0.28 -1.07 0.00 0.00 179.97 180.29 1nxp h VAL 112 N 0.57 1.18 -0.66 2.04 2.07 -0.98 -0.82 116.25 119.66 1nxp h VAL 112 Ca 0.04 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1nxp h VAL 112 Cb 0.96 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1nxp h VAL 112 CO 0.09 0.19 0.40 0.50 0.02 0.00 0.00 177.57 178.77 1nxp h LYS 113 N 0.46 0.75 -0.50 1.57 3.64 -1.10 -0.66 116.57 120.72 1nxp h LYS 113 Ca 0.13 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1nxp h LYS 113 Cb 0.15 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1nxp h LYS 113 CO -0.01 0.49 -0.01 0.00 -2.27 0.00 0.00 179.45 177.65 1nxp h ALA 114 N 1.30 0.68 -0.46 5.00 0.00 -0.91 -0.75 119.26 124.12 1nxp h ALA 114 Ca 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nxp h ALA 114 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nxp h ALA 114 CO -0.12 0.50 0.23 -0.07 0.00 0.00 0.00 179.25 179.78 1nxp h LEU 115 N 0.76 0.59 -0.80 0.00 3.38 -0.92 -2.94 115.31 115.39 1nxp h LEU 115 Ca 0.14 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1nxp h LEU 115 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1nxp h LEU 115 CO 0.03 0.54 -0.16 -0.07 0.09 0.00 0.00 178.44 178.87 1nxp h LEU 116 N 0.60 0.74 -1.51 1.67 3.38 -0.79 -2.72 115.31 116.67 1nxp h LEU 116 Ca 0.16 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1nxp h LEU 116 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1nxp h LEU 116 CO -0.02 0.90 0.39 -0.09 0.09 0.00 0.00 178.44 179.71 1nxp h ARG 117 N 0.66 0.59 -0.57 1.13 2.43 -1.01 -3.04 114.38 114.58 1nxp h ARG 117 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1nxp h ARG 117 Cb 0.64 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1nxp h ARG 117 CO 0.04 0.39 0.00 -2.13 -1.51 0.00 0.00 179.97 176.77 1nxp n ARG 118 N -4.47 4.71 0.00 0.20 3.00 -1.03 -5.11 116.66 113.95 1nxp n ARG 118 Ca 0.08 -3.13 0.00 0.00 -0.00 0.00 0.00 57.85 54.80 1nxp n ARG 118 Cb 0.20 -2.22 0.00 0.00 0.00 0.00 0.00 32.46 30.45 1nxp n ARG 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08