#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k90 n GLU 6 N 0.00 0.00 -0.15 -0.78 1.02 -1.26 -3.52 120.64 115.95 1k90 n GLU 6 Ca 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 1k90 n GLU 6 Cb 0.00 -0.19 0.55 0.00 -0.02 0.00 0.00 31.44 31.77 1k90 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1k90 h GLU 7 N 0.00 0.00 0.00 3.49 4.39 -2.05 2.34 114.58 122.74 1k90 h GLU 7 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k90 h GLU 7 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1k90 h GLU 7 CO 0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 1k90 n GLN 8 N -3.41 0.78 0.00 2.33 1.13 -1.26 -4.02 117.38 112.93 1k90 n GLN 8 Ca 0.20 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1k90 n GLN 8 Cb 1.29 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 30.14 1k90 n GLN 8 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1k90 n ILE 9 N -1.06 0.00 0.00 5.09 5.41 0.74 -4.79 119.36 124.75 1k90 n ILE 9 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1k90 n ILE 9 Cb 0.12 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1k90 n ILE 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k90 n ALA 10 N -1.01 0.87 1.61 -1.39 0.00 0.15 -0.12 120.51 120.63 1k90 n ALA 10 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1k90 n ALA 10 Cb 0.00 -0.85 0.77 0.00 0.00 0.00 0.00 19.45 19.37 1k90 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k90 n GLU 11 N -1.39 0.79 0.00 0.00 1.02 -1.26 -3.33 120.64 116.48 1k90 n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1k90 n GLU 11 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1k90 n GLU 11 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1k90 n PHE 12 N -1.01 0.00 1.60 -0.32 3.72 0.83 -4.63 117.46 117.64 1k90 n PHE 12 Ca 0.19 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.65 1k90 n PHE 12 Cb 0.10 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 38.95 1k90 n PHE 12 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1k90 n LYS 13 N -2.22 0.80 0.00 -1.08 5.02 -1.22 -1.37 118.16 118.10 1k90 n LYS 13 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1k90 n LYS 13 Cb 0.49 -1.21 -0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1k90 n LYS 13 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1k90 n GLU 14 N -0.71 2.73 0.00 1.97 2.13 -1.21 -4.71 120.64 120.84 1k90 n GLU 14 Ca 0.08 -0.38 0.00 0.00 0.66 0.00 0.00 57.16 57.52 1k90 n GLU 14 Cb 0.04 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 30.86 1k90 n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k90 n ALA 15 N -0.44 1.17 0.02 4.31 0.00 -1.08 -4.78 120.51 119.71 1k90 n ALA 15 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1k90 n ALA 15 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1k90 n ALA 15 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k90 n PHE 16 N -0.91 0.00 0.00 0.00 7.35 -0.47 -3.02 117.46 120.42 1k90 n PHE 16 Ca 0.00 -0.66 0.00 0.00 -0.76 0.00 0.00 57.45 56.03 1k90 n PHE 16 Cb 0.06 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.52 1k90 n PHE 16 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1k90 n SER 17 N 1.25 0.00 0.20 -2.13 7.64 -1.26 -4.85 113.62 114.47 1k90 n SER 17 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1k90 n SER 17 Cb 0.40 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 64.04 1k90 n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1k90 h LEU 18 N 0.00 0.00 -6.74 -3.43 5.85 -1.86 -3.36 115.31 105.77 1k90 h LEU 18 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 1k90 h LEU 18 Cb 0.00 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 40.63 1k90 h LEU 18 CO 0.00 0.00 -0.78 0.12 -0.34 0.00 0.00 178.44 177.44 1k90 s PHE 19 N -3.36 2.18 -0.30 1.25 2.19 -1.26 -5.03 117.98 113.65 1k90 s PHE 19 Ca 0.05 -2.72 -0.10 0.00 0.33 0.00 0.00 56.93 54.49 1k90 s PHE 19 Cb 0.08 -1.76 0.18 0.00 -1.31 0.00 0.00 43.02 40.22 1k90 s PHE 19 CO 0.57 -0.71 0.94 0.34 1.83 0.00 0.00 175.22 178.19 1k90 s ASP 20 N -0.47 -0.68 -0.81 6.13 3.68 -1.26 -4.99 116.67 118.27 1k90 s ASP 20 Ca 0.27 0.41 -0.04 0.00 2.13 0.00 0.00 52.55 55.32 1k90 s ASP 20 Cb -0.04 1.56 0.09 0.00 -1.45 0.00 0.00 42.92 43.08 1k90 s ASP 20 CO -0.15 -0.13 2.61 0.29 0.13 0.00 0.00 175.17 177.92 1k90 n LYS 21 N 5.46 3.33 -3.47 4.34 4.76 -1.26 -4.78 118.16 126.54 1k90 n LYS 21 Ca -0.05 -2.82 -0.10 0.00 -2.87 0.00 0.00 58.31 52.47 1k90 n LYS 21 Cb 0.53 -2.34 -0.09 0.00 -1.84 0.00 0.00 35.03 31.29 1k90 n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1k90 s ASP 22 N 0.35 0.18 0.00 4.39 3.68 -1.26 -5.05 116.67 118.96 1k90 s ASP 22 Ca 0.57 0.44 -0.02 0.00 2.13 0.00 0.00 52.55 55.67 1k90 s ASP 22 Cb 0.30 1.10 -0.10 0.00 -1.45 0.00 0.00 42.92 42.77 1k90 s ASP 22 CO -0.17 -0.28 1.76 0.61 0.13 0.00 0.00 175.17 177.23 1k90 n GLY 23 N 5.37 1.85 0.00 2.66 0.00 -1.26 -2.38 105.19 111.43 1k90 n GLY 23 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1k90 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k90 n ASP 24 N 2.51 0.00 -1.13 1.61 8.00 -1.26 -5.01 116.55 121.27 1k90 n ASP 24 Ca 0.16 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.52 1k90 n ASP 24 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 1k90 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k90 n GLY 25 N 0.00 1.12 3.22 0.44 0.00 -1.00 -4.93 105.19 104.03 1k90 n GLY 25 Ca 0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1k90 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k90 s THR 26 N -2.54 3.45 0.00 2.61 -4.23 -1.26 -3.22 115.64 110.45 1k90 s THR 26 Ca 0.00 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1k90 s THR 26 Cb 0.00 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1k90 s THR 26 CO 0.00 -0.24 0.00 2.30 -0.54 0.00 0.00 174.62 176.14 1k90 n ILE 27 N 4.72 0.00 -4.15 2.99 -5.35 0.18 -4.71 119.36 113.04 1k90 n ILE 27 Ca -0.11 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1k90 n ILE 27 Cb 0.44 -0.32 -0.08 0.00 -1.74 0.00 0.00 39.64 37.93 1k90 n ILE 27 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k90 s THR 28 N 2.57 0.00 -1.02 7.28 -4.23 -1.25 -0.15 115.64 118.84 1k90 s THR 28 Ca 0.00 -1.81 0.06 0.00 -1.18 0.00 0.00 61.69 58.75 1k90 s THR 28 Cb 0.00 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1k90 s THR 28 CO 0.00 0.00 1.17 0.41 -0.54 0.00 0.00 174.62 175.66 1k90 n THR 29 N -0.39 1.57 0.18 3.99 -1.04 -0.79 -3.09 114.28 114.71 1k90 n THR 29 Ca 0.02 0.39 -0.10 0.00 -2.04 0.00 0.00 64.05 62.32 1k90 n THR 29 Cb 0.64 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.80 1k90 n THR 29 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k90 h LYS 30 N 0.00 -0.57 -0.13 -2.82 1.57 -1.95 -2.65 116.57 110.02 1k90 h LYS 30 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1k90 h LYS 30 Cb 0.10 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1k90 h LYS 30 CO 0.00 -0.38 0.00 -0.85 -0.57 0.00 0.00 179.45 177.65 1k90 n GLU 31 N -4.08 1.43 -0.24 3.15 0.00 -1.18 -4.17 120.64 115.56 1k90 n GLU 31 Ca -0.07 -0.66 0.03 0.00 0.00 0.00 0.00 57.16 56.46 1k90 n GLU 31 Cb 0.26 -1.29 0.13 0.00 0.00 0.00 0.00 31.44 30.54 1k90 n GLU 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1k90 h LEU 32 N 1.24 -0.34 -0.57 -1.84 5.85 -1.42 0.89 115.31 119.13 1k90 h LEU 32 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1k90 h LEU 32 Cb 0.28 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1k90 h LEU 32 CO 0.00 -0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.55 1k90 n GLY 33 N -1.40 -0.40 0.12 3.75 0.00 -1.26 -3.43 105.19 102.56 1k90 n GLY 33 Ca 0.11 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 1k90 n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k90 n THR 34 N -0.30 1.64 -0.10 2.61 -1.04 0.29 -3.40 114.28 113.98 1k90 n THR 34 Ca 0.20 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.05 61.83 1k90 n THR 34 Cb 0.25 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.81 1k90 n THR 34 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1k90 h VAL 35 N -0.58 1.20 -1.00 12.58 2.07 -1.15 -2.69 116.25 126.68 1k90 h VAL 35 Ca -0.38 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 66.59 1k90 h VAL 35 Cb 1.60 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 1k90 h VAL 35 CO -0.09 0.21 0.64 0.24 0.02 0.00 0.00 177.57 178.59 1k90 h MET 36 N 0.33 1.06 0.00 1.57 2.86 -1.74 0.30 114.93 119.31 1k90 h MET 36 Ca 0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1k90 h MET 36 Cb 0.24 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1k90 h MET 36 CO -0.00 0.70 0.00 0.54 1.06 0.00 0.00 176.91 179.21 1k90 n ARG 37 N -4.55 0.61 -0.01 1.72 1.74 -1.10 -0.71 116.66 114.37 1k90 n ARG 37 Ca 0.17 0.02 0.08 0.00 -0.77 0.00 0.00 57.85 57.35 1k90 n ARG 37 Cb 0.26 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 1k90 n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1k90 n SER 38 N -1.15 1.07 -0.60 0.55 7.64 0.86 -4.30 113.62 117.69 1k90 n SER 38 Ca 0.16 -0.21 0.13 0.00 1.01 0.00 0.00 58.87 59.96 1k90 n SER 38 Cb 0.16 1.58 0.29 0.00 -1.01 0.00 0.00 64.21 65.23 1k90 n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1k90 n LEU 39 N -1.92 1.99 0.00 -3.43 0.00 -0.00 -4.93 117.00 108.71 1k90 n LEU 39 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 56.01 55.33 1k90 n LEU 39 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.79 1k90 n LEU 39 CO 0.35 0.34 0.00 0.61 0.00 0.00 0.00 177.39 178.69 1k90 n GLY 40 N 1.29 1.06 3.68 -3.96 0.00 -1.14 -5.08 105.19 101.05 1k90 n GLY 40 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1k90 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k90 s GLN 41 N 0.00 0.15 -0.39 1.61 -1.52 0.12 -4.96 119.66 114.67 1k90 s GLN 41 Ca 0.00 0.31 0.10 0.00 -1.95 0.00 0.00 55.36 53.82 1k90 s GLN 41 Cb 0.00 -1.72 0.40 0.00 -0.22 0.00 0.00 33.01 31.47 1k90 s GLN 41 CO 0.00 -2.87 1.34 0.27 -0.25 0.00 0.00 175.29 173.78 1k90 n ASN 42 N -4.24 -1.53 -4.75 5.90 6.94 -1.26 -3.76 115.26 112.57 1k90 n ASN 42 Ca 0.07 -2.45 -0.36 0.00 -0.02 0.00 0.00 54.58 51.82 1k90 n ASN 42 Cb 0.58 0.83 0.05 0.00 -2.36 0.00 0.00 39.78 38.88 1k90 n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1k90 s PRO 43 N -0.15 2.81 0.48 -0.53 0.04 -1.26 -5.03 135.00 131.35 1k90 s PRO 43 Ca 0.21 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 1k90 s PRO 43 Cb 0.41 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 33.00 1k90 s PRO 43 CO -0.08 -1.34 0.82 -0.08 0.04 0.00 0.00 177.00 176.36 1k90 s THR 44 N -1.63 4.83 0.28 1.26 -1.32 -1.26 -4.93 115.64 112.86 1k90 s THR 44 Ca 0.78 0.48 0.02 0.00 -1.21 0.00 0.00 61.69 61.75 1k90 s THR 44 Cb -0.31 -3.82 0.28 0.00 -1.51 0.00 0.00 72.50 67.14 1k90 s THR 44 CO 0.36 -0.78 1.70 -0.33 -2.21 0.00 0.00 174.62 173.36 1k90 h GLU 45 N 0.52 0.39 -0.54 7.08 4.39 -2.01 0.36 114.58 124.75 1k90 h GLU 45 Ca -0.47 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.29 1k90 h GLU 45 Cb 1.20 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.69 1k90 h GLU 45 CO 0.62 0.26 0.18 0.00 -1.16 0.00 0.00 179.01 178.91 1k90 h ALA 46 N 1.68 0.67 -1.39 3.43 0.00 -2.04 -3.24 119.26 118.37 1k90 h ALA 46 Ca 0.53 0.08 -0.71 0.00 0.00 0.00 0.00 54.91 54.81 1k90 h ALA 46 Cb 0.96 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 1k90 h ALA 46 CO -0.51 -0.23 1.65 -1.21 0.00 0.00 0.00 179.25 178.94 1k90 s GLU 47 N -6.12 4.03 0.32 0.00 2.02 0.13 -4.09 118.70 114.99 1k90 s GLU 47 Ca -0.13 -2.33 0.00 0.00 0.02 0.00 0.00 54.97 52.53 1k90 s GLU 47 Cb 0.16 -5.23 0.00 0.00 0.10 0.00 0.00 34.13 29.15 1k90 s GLU 47 CO 0.73 -1.95 0.00 1.28 0.02 0.00 0.00 175.26 175.34 1k90 n LEU 48 N 6.71 -2.51 0.11 1.80 4.77 -1.22 -4.30 117.00 122.37 1k90 n LEU 48 Ca 0.41 0.60 -0.24 0.00 -0.03 0.00 0.00 56.01 56.75 1k90 n LEU 48 Cb 0.44 2.47 -0.15 0.00 -2.33 0.00 0.00 43.42 43.85 1k90 n LEU 48 CO 0.67 -0.07 -0.34 1.56 -1.33 0.00 0.00 177.39 177.88 1k90 h GLN 49 N 0.00 0.47 -0.31 3.23 4.20 -1.79 -2.96 115.11 117.95 1k90 h GLN 49 Ca 0.00 -0.80 0.09 0.00 0.06 0.00 0.00 58.65 58.00 1k90 h GLN 49 Cb 0.00 0.30 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1k90 h GLN 49 CO 0.00 1.38 0.52 0.38 -0.67 0.00 0.00 178.83 180.44 1k90 h ASP 50 N 0.08 0.00 0.00 1.46 2.03 -1.92 -1.13 116.42 116.94 1k90 h ASP 50 Ca -0.29 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.70 1k90 h ASP 50 Cb 2.10 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.54 1k90 h ASP 50 CO 0.23 0.00 -2.20 1.15 -1.03 0.00 0.00 179.24 177.39 1k90 n MET 51 N -3.32 0.97 -0.15 4.15 0.00 -1.24 -4.34 117.12 113.18 1k90 n MET 51 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 57.70 57.80 1k90 n MET 51 Cb 0.65 -1.44 0.06 0.00 0.00 0.00 0.00 33.22 32.50 1k90 n MET 51 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1k90 n ILE 52 N -2.82 0.50 -0.07 3.17 0.13 -0.50 -3.48 119.36 116.30 1k90 n ILE 52 Ca -0.32 -0.23 -0.08 0.00 -1.10 0.00 0.00 62.75 61.02 1k90 n ILE 52 Cb 1.01 -0.49 -0.10 0.00 -0.84 0.00 0.00 39.64 39.22 1k90 n ILE 52 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1k90 n ASN 53 N 0.11 2.02 -0.00 9.51 5.15 -0.74 -4.17 115.26 127.14 1k90 n ASN 53 Ca 0.05 -0.03 -0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1k90 n ASN 53 Cb 0.42 0.51 -0.00 0.00 -0.53 0.00 0.00 39.78 40.18 1k90 n ASN 53 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1k90 h GLU 54 N 0.00 0.00 -0.27 1.20 4.81 -1.80 -3.39 114.58 115.13 1k90 h GLU 54 Ca -0.36 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 1k90 h GLU 54 Cb 1.75 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 1k90 h GLU 54 CO -0.00 0.00 0.19 -0.24 -0.73 0.00 0.00 179.01 178.23 1k90 h VAL 55 N -0.03 0.89 -3.32 0.32 3.04 -1.88 -3.20 116.25 112.07 1k90 h VAL 55 Ca 0.00 -0.01 -0.80 0.00 -1.01 0.00 0.00 66.70 64.88 1k90 h VAL 55 Cb 0.01 0.84 -0.27 0.00 -2.01 0.00 0.00 31.29 29.86 1k90 h VAL 55 CO 0.00 0.01 0.60 -0.67 -1.01 0.00 0.00 177.57 176.49 1k90 n ASP 56 N -4.47 5.75 0.00 3.17 4.64 -1.26 -4.80 116.55 119.58 1k90 n ASP 56 Ca 0.03 -3.13 0.03 0.00 -1.38 0.00 0.00 54.79 50.34 1k90 n ASP 56 Cb 0.32 -1.36 0.20 0.00 -1.04 0.00 0.00 41.12 39.24 1k90 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1k90 n ALA 57 N 2.45 2.42 -0.02 -1.67 0.00 -1.21 -3.75 120.51 118.72 1k90 n ALA 57 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 1k90 n ALA 57 Cb 0.38 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1k90 n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k90 n ASP 58 N -0.62 0.60 -2.93 0.00 2.03 -1.26 -5.05 116.55 109.32 1k90 n ASP 58 Ca 0.05 0.27 -0.11 0.00 0.52 0.00 0.00 54.79 55.52 1k90 n ASP 58 Cb 0.02 -0.60 0.05 0.00 -0.72 0.00 0.00 41.12 39.87 1k90 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k90 n GLY 59 N 1.62 -0.82 0.02 0.27 0.00 -1.25 -4.95 105.19 100.08 1k90 n GLY 59 Ca -0.03 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1k90 n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k90 n ASN 60 N -2.83 0.28 0.00 1.61 5.15 -1.26 -4.99 115.26 113.22 1k90 n ASN 60 Ca -0.05 -0.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 1k90 n ASN 60 Cb 0.59 1.63 0.00 0.00 -0.53 0.00 0.00 39.78 41.47 1k90 n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k90 n GLY 61 N 1.30 2.89 3.48 8.20 0.00 -1.26 -4.99 105.19 114.81 1k90 n GLY 61 Ca -0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1k90 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s THR 62 N -1.70 4.89 -0.15 2.61 2.01 -1.26 -1.88 115.64 120.16 1k90 s THR 62 Ca 0.00 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1k90 s THR 62 Cb 0.00 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 1k90 s THR 62 CO 0.00 -0.67 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.52 1k90 s ILE 63 N 2.62 3.09 0.00 1.82 1.09 0.78 -4.93 121.20 125.67 1k90 s ILE 63 Ca 0.17 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 1k90 s ILE 63 Cb -0.17 -2.32 0.00 0.00 -1.06 0.00 0.00 42.46 38.91 1k90 s ILE 63 CO 0.15 0.50 0.00 -0.90 -0.10 0.00 0.00 174.94 174.59 1k90 n ASP 64 N 3.83 0.00 -0.07 3.58 5.68 -1.26 0.49 116.55 128.80 1k90 n ASP 64 Ca -0.18 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 53.88 1k90 n ASP 64 Cb 0.52 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.38 1k90 n ASP 64 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1k90 n PHE 65 N 0.00 0.98 -0.32 2.11 -0.00 -1.20 -3.32 117.46 115.71 1k90 n PHE 65 Ca 0.00 0.33 0.27 0.00 -0.00 0.00 0.00 57.45 58.05 1k90 n PHE 65 Cb 0.00 -1.11 0.59 0.00 -0.00 0.00 0.00 39.48 38.96 1k90 n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1k90 h PRO 66 N -0.63 0.25 0.14 -7.13 0.11 -1.97 0.50 132.00 123.27 1k90 h PRO 66 Ca -0.41 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.39 1k90 h PRO 66 Cb 1.58 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1k90 h PRO 66 CO -0.13 0.16 -1.37 0.93 -0.21 0.00 0.00 178.00 177.38 1k90 h GLU 67 N 0.25 0.29 -0.63 1.05 5.08 -1.96 -3.11 114.58 115.55 1k90 h GLU 67 Ca 0.58 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1k90 h GLU 67 Cb 1.75 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1k90 h GLU 67 CO -0.20 1.20 0.26 0.35 -1.00 0.00 0.00 179.01 179.62 1k90 h PHE 68 N 0.08 0.96 0.77 4.33 3.57 -0.21 -2.00 116.94 124.44 1k90 h PHE 68 Ca -0.19 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.21 1k90 h PHE 68 Cb 2.01 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 40.47 1k90 h PHE 68 CO 0.07 0.75 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.46 1k90 h LEU 69 N 0.89 -0.88 -1.82 0.59 3.38 -0.55 -2.67 115.31 114.24 1k90 h LEU 69 Ca 0.21 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.33 1k90 h LEU 69 Cb 0.20 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1k90 h LEU 69 CO -0.02 -0.59 0.54 0.74 0.09 0.00 0.00 178.44 179.20 1k90 h THR 70 N -1.10 0.26 0.00 0.22 2.02 -1.53 -2.69 112.91 110.08 1k90 h THR 70 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1k90 h THR 70 Cb 0.79 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1k90 h THR 70 CO 0.17 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.29 1k90 n MET 71 N -3.50 0.00 0.00 6.66 2.81 -0.75 -3.26 117.12 119.07 1k90 n MET 71 Ca 0.08 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1k90 n MET 71 Cb 0.70 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 1k90 n MET 71 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1k90 n MET 72 N -1.05 0.06 0.00 0.03 2.81 -1.15 -4.11 117.12 113.70 1k90 n MET 72 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1k90 n MET 72 Cb 0.00 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1k90 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k90 n ALA 73 N -0.42 0.00 1.38 3.04 0.00 -1.03 -3.06 120.51 120.43 1k90 n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k90 n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1k90 n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k90 n ARG 74 N 0.00 0.75 -0.03 0.00 0.63 -1.26 -3.41 116.66 113.35 1k90 n ARG 74 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1k90 n ARG 74 Cb 0.00 -1.06 -0.10 0.00 0.45 0.00 0.00 32.46 31.75 1k90 n ARG 74 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1k90 h LYS 75 N 0.04 0.03 -4.01 -0.14 3.11 -1.72 -3.32 116.57 110.56 1k90 h LYS 75 Ca 0.00 -0.02 -0.69 0.00 -2.81 0.00 0.00 60.65 57.13 1k90 h LYS 75 Cb 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 1k90 h LYS 75 CO 0.00 0.60 3.03 -1.33 -2.81 0.00 0.00 179.45 178.94 1k90 n MET 76 N -4.78 2.66 0.00 1.90 2.81 -1.22 -4.56 117.12 113.92 1k90 n MET 76 Ca -0.09 -2.43 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 1k90 n MET 76 Cb 0.30 -3.19 0.00 0.00 -0.71 0.00 0.00 33.22 29.63 1k90 n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1k90 n LYS 77 N 6.08 0.00 0.18 0.03 3.00 -1.25 -4.56 118.16 121.64 1k90 n LYS 77 Ca 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.91 1k90 n LYS 77 Cb 0.38 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.58 1k90 n LYS 77 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1k90 h ASP 78 N 0.00 0.00 0.36 3.14 -0.00 -1.90 -2.96 116.42 115.06 1k90 h ASP 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1k90 h ASP 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1k90 h ASP 78 CO 0.00 0.29 0.00 1.07 -0.00 0.00 0.00 179.24 180.60 1k90 n THR 79 N -3.21 0.26 -0.02 2.25 5.66 -1.26 -2.60 114.28 115.36 1k90 n THR 79 Ca 0.02 0.07 0.07 0.00 -3.05 0.00 0.00 64.05 61.16 1k90 n THR 79 Cb 0.61 -0.70 0.26 0.00 -1.55 0.00 0.00 70.33 68.95 1k90 n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1k90 n ASP 80 N -1.24 3.59 -0.89 1.09 2.03 -1.12 -4.39 116.55 115.62 1k90 n ASP 80 Ca 0.11 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.12 1k90 n ASP 80 Cb 0.16 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1k90 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1k90 n SER 81 N 0.81 2.56 -0.17 1.67 7.64 -1.07 -4.29 113.62 120.77 1k90 n SER 81 Ca 0.19 -2.00 0.11 0.00 1.01 0.00 0.00 58.87 58.18 1k90 n SER 81 Cb 0.67 -0.50 0.43 0.00 -1.01 0.00 0.00 64.21 63.80 1k90 n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1k90 h GLU 82 N 0.00 0.57 -0.23 1.43 4.81 -1.88 -2.97 114.58 116.31 1k90 h GLU 82 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1k90 h GLU 82 Cb 0.89 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1k90 h GLU 82 CO 0.00 0.38 -0.48 0.93 -0.73 0.00 0.00 179.01 179.11 1k90 h GLU 83 N 0.59 -0.41 -0.67 1.92 4.39 -1.98 0.75 114.58 119.16 1k90 h GLU 83 Ca 0.34 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.17 1k90 h GLU 83 Cb 0.53 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1k90 h GLU 83 CO -0.12 -0.28 0.44 0.93 -1.16 0.00 0.00 179.01 178.83 1k90 h GLU 84 N -0.43 0.49 0.03 2.33 3.07 -1.90 -1.64 114.58 116.54 1k90 h GLU 84 Ca 0.04 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1k90 h GLU 84 Cb 0.55 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1k90 h GLU 84 CO -0.44 0.33 -0.01 0.82 -1.40 0.00 0.00 179.01 178.30 1k90 h ILE 85 N 0.51 1.09 -0.88 3.13 2.04 -1.09 0.12 117.51 122.43 1k90 h ILE 85 Ca 0.31 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1k90 h ILE 85 Cb 0.53 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 1k90 h ILE 85 CO -0.10 0.09 0.54 -0.09 0.00 0.00 0.00 178.15 178.60 1k90 h ARG 86 N -0.19 0.93 0.00 2.37 2.43 -0.09 0.11 114.38 119.95 1k90 h ARG 86 Ca -0.00 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1k90 h ARG 86 Cb 0.18 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1k90 h ARG 86 CO 0.01 0.62 -0.34 0.93 -1.51 0.00 0.00 179.97 179.67 1k90 h GLU 87 N 0.96 0.00 -0.16 0.20 5.08 -1.10 -2.76 114.58 116.80 1k90 h GLU 87 Ca 0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1k90 h GLU 87 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1k90 h GLU 87 CO -0.19 0.34 -0.09 0.00 -1.00 0.00 0.00 179.01 178.07 1k90 h ALA 88 N 1.66 0.22 -0.76 3.43 0.00 0.16 -3.05 119.26 120.92 1k90 h ALA 88 Ca -0.00 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1k90 h ALA 88 Cb 0.86 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1k90 h ALA 88 CO 0.04 0.04 0.41 0.35 0.00 0.00 0.00 179.25 180.10 1k90 h PHE 89 N 0.00 0.73 0.00 0.00 3.57 -0.67 0.15 116.94 120.72 1k90 h PHE 89 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1k90 h PHE 89 Cb 0.57 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1k90 h PHE 89 CO 0.07 0.28 0.00 0.54 -2.23 0.00 0.00 178.31 176.97 1k90 n ARG 90 N -4.81 0.15 0.12 1.11 1.74 -1.06 -1.78 116.66 112.13 1k90 n ARG 90 Ca 0.12 0.50 -0.19 0.00 -0.77 0.00 0.00 57.85 57.51 1k90 n ARG 90 Cb 0.28 -1.86 -0.15 0.00 -1.02 0.00 0.00 32.46 29.71 1k90 n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k90 h VAL 91 N 0.00 1.41 0.51 1.55 2.07 -0.61 -3.36 116.25 117.82 1k90 h VAL 91 Ca 0.00 -2.92 -0.02 0.00 0.82 0.00 0.00 66.70 64.57 1k90 h VAL 91 Cb 0.19 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1k90 h VAL 91 CO 0.00 0.86 -0.24 -0.26 0.02 0.00 0.00 177.57 177.95 1k90 h PHE 92 N 0.10 -0.63 -0.32 1.57 0.05 -1.20 -3.40 116.94 113.11 1k90 h PHE 92 Ca -0.18 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.55 1k90 h PHE 92 Cb 2.05 0.21 -0.01 0.00 2.00 0.00 0.00 35.95 40.20 1k90 h PHE 92 CO 0.09 -0.36 0.21 -3.47 -0.18 0.00 0.00 178.31 174.60 1k90 n ASP 93 N -5.24 1.51 -0.13 2.17 2.03 -0.93 -4.76 116.55 111.20 1k90 n ASP 93 Ca -0.09 -1.40 -0.12 0.00 0.52 0.00 0.00 54.79 53.70 1k90 n ASP 93 Cb 0.29 -1.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.11 1k90 n ASP 93 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1k90 h LYS 94 N 12.60 0.82 -0.06 -0.67 2.10 -1.83 -3.09 116.57 126.44 1k90 h LYS 94 Ca 0.00 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1k90 h LYS 94 Cb 1.02 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1k90 h LYS 94 CO 1.06 0.99 0.00 -0.40 -2.00 0.00 0.00 179.45 179.10 1k90 n ASP 95 N -4.25 0.91 -3.98 7.07 5.75 -1.26 -4.94 116.55 115.85 1k90 n ASP 95 Ca -0.02 -1.45 -0.27 0.00 -0.01 0.00 0.00 54.79 53.05 1k90 n ASP 95 Cb 0.42 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 1k90 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k90 n GLY 96 N 1.03 -0.26 0.08 6.12 0.00 -1.17 -4.84 105.19 106.16 1k90 n GLY 96 Ca 0.18 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.46 1k90 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k90 n ASN 97 N -2.94 0.68 0.00 1.61 6.94 -1.26 -4.95 115.26 115.33 1k90 n ASN 97 Ca -0.25 0.20 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1k90 n ASN 97 Cb 0.66 0.71 0.00 0.00 -2.36 0.00 0.00 39.78 38.79 1k90 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k90 n GLY 98 N 1.23 0.81 3.15 4.83 0.00 -1.26 -5.09 105.19 108.85 1k90 n GLY 98 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1k90 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k90 s TYR 99 N -2.00 0.83 -0.14 1.61 1.51 -1.26 -4.10 117.35 113.79 1k90 s TYR 99 Ca 0.00 -0.89 -0.07 0.00 -1.01 0.00 0.00 57.07 55.10 1k90 s TYR 99 Cb 0.00 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1k90 s TYR 99 CO 0.00 -0.17 0.11 0.42 -1.11 0.00 0.00 175.55 174.80 1k90 s ILE 100 N -3.43 5.21 0.57 2.71 1.01 0.06 -4.65 121.20 122.69 1k90 s ILE 100 Ca 0.09 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.94 1k90 s ILE 100 Cb 0.04 -3.29 0.08 0.00 0.01 0.00 0.00 42.46 39.30 1k90 s ILE 100 CO -0.05 0.56 0.77 -0.44 0.00 0.00 0.00 174.94 175.78 1k90 s SER 101 N -0.52 5.09 -0.10 3.58 0.01 -1.26 -3.16 113.70 117.34 1k90 s SER 101 Ca 0.12 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 56.25 1k90 s SER 101 Cb -0.12 0.29 -0.23 0.00 0.21 0.00 0.00 66.02 66.17 1k90 s SER 101 CO 0.02 -1.32 0.87 0.00 0.41 0.00 0.00 173.24 173.23 1k90 h ALA 102 N 0.22 -0.01 -0.25 1.44 0.00 -1.97 -0.39 119.26 118.30 1k90 h ALA 102 Ca -0.30 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.28 1k90 h ALA 102 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1k90 h ALA 102 CO 0.42 -0.08 0.21 0.00 0.00 0.00 0.00 179.25 179.80 1k90 h ALA 103 N 0.08 2.05 0.07 0.00 0.00 -1.97 0.74 119.26 120.23 1k90 h ALA 103 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k90 h ALA 103 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1k90 h ALA 103 CO 0.00 -0.34 -0.04 0.93 0.00 0.00 0.00 179.25 179.81 1k90 h GLU 104 N 0.00 -0.10 -0.81 0.00 5.08 -1.89 -0.28 114.58 116.59 1k90 h GLU 104 Ca 0.12 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.64 1k90 h GLU 104 Cb 0.54 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 1k90 h GLU 104 CO -0.00 -0.06 0.35 1.25 -1.00 0.00 0.00 179.01 179.54 1k90 h LEU 105 N -0.33 0.34 -0.28 1.33 5.85 -0.76 0.59 115.31 122.05 1k90 h LEU 105 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1k90 h LEU 105 Cb 0.08 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1k90 h LEU 105 CO 0.02 0.11 0.18 -0.09 -0.34 0.00 0.00 178.44 178.32 1k90 h ARG 106 N 0.48 0.38 0.14 1.25 2.43 0.37 0.10 114.38 119.53 1k90 h ARG 106 Ca 0.45 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.61 1k90 h ARG 106 Cb 0.72 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1k90 h ARG 106 CO -0.42 0.26 -0.22 1.25 -1.51 0.00 0.00 179.97 179.34 1k90 h HIS 107 N 0.38 -0.57 -0.63 2.20 2.76 0.13 0.84 115.15 120.26 1k90 h HIS 107 Ca 0.10 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.38 1k90 h HIS 107 Cb -0.03 0.23 -0.07 0.00 1.55 0.00 0.00 27.41 29.09 1k90 h HIS 107 CO -0.05 -0.31 0.25 0.28 -1.30 0.00 0.00 177.93 176.79 1k90 h VAL 108 N -0.42 0.77 0.27 5.26 2.07 0.28 -2.19 116.25 122.29 1k90 h VAL 108 Ca 0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1k90 h VAL 108 Cb 0.43 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1k90 h VAL 108 CO -0.10 0.08 -0.13 0.24 0.02 0.00 0.00 177.57 177.68 1k90 h MET 109 N 0.43 -0.35 0.00 1.57 2.07 -0.12 -2.51 114.93 116.01 1k90 h MET 109 Ca 0.32 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 1k90 h MET 109 Cb 0.39 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 1k90 h MET 109 CO -0.31 -0.06 0.00 0.25 1.07 0.00 0.00 176.91 177.86 1k90 n THR 110 N -5.13 0.00 -0.01 2.22 -2.24 0.29 -0.56 114.28 108.85 1k90 n THR 110 Ca -0.09 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1k90 n THR 110 Cb 0.24 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 1k90 n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1k90 n ASN 111 N -0.87 3.28 -0.96 3.42 3.02 -0.86 -4.49 115.26 117.80 1k90 n ASN 111 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.62 1k90 n ASN 111 Cb 0.00 1.31 0.21 0.00 -0.61 0.00 0.00 39.78 40.69 1k90 n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1k90 n LEU 112 N -1.79 2.77 0.00 3.41 4.77 0.27 -4.89 117.00 121.55 1k90 n LEU 112 Ca -0.02 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1k90 n LEU 112 Cb 0.23 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1k90 n LEU 112 CO 0.16 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1k90 n GLY 113 N 0.93 1.05 3.19 -0.72 0.00 -1.20 -5.00 105.19 103.43 1k90 n GLY 113 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1k90 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k90 s GLU 114 N -0.44 3.19 -0.25 1.61 2.56 -1.14 -5.04 118.70 119.19 1k90 s GLU 114 Ca 0.00 -2.76 -0.28 0.00 0.00 0.00 0.00 54.97 51.93 1k90 s GLU 114 Cb 0.00 -4.06 -0.04 0.00 2.00 0.00 0.00 34.13 32.03 1k90 s GLU 114 CO 0.00 -1.23 2.09 0.15 -0.56 0.00 0.00 175.26 175.71 1k90 s LYS 115 N -0.43 3.19 0.02 4.30 -0.14 -1.26 -3.88 119.74 121.54 1k90 s LYS 115 Ca 0.21 1.85 -0.05 0.00 -1.36 0.00 0.00 55.97 56.62 1k90 s LYS 115 Cb -0.13 -4.32 -0.05 0.00 -1.68 0.00 0.00 37.83 31.65 1k90 s LYS 115 CO -0.07 -2.03 0.26 -0.51 -0.76 0.00 0.00 175.35 172.23 1k90 s LEU 116 N 7.87 4.36 0.46 3.17 1.43 -1.26 -5.04 118.68 129.67 1k90 s LEU 116 Ca 0.94 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.32 1k90 s LEU 116 Cb -0.30 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.11 1k90 s LEU 116 CO 0.35 0.23 1.11 0.42 0.23 0.00 0.00 176.35 178.69 1k90 s THR 117 N -1.35 3.37 -1.35 5.49 -4.23 -1.26 -4.86 115.64 111.45 1k90 s THR 117 Ca 0.29 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1k90 s THR 117 Cb -0.13 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1k90 s THR 117 CO 0.18 -0.06 0.76 0.47 -0.54 0.00 0.00 174.62 175.43 1k90 n ASP 118 N -0.55 0.00 -0.13 3.99 10.43 -1.26 -1.79 116.55 127.24 1k90 n ASP 118 Ca 0.08 0.27 -0.27 0.00 2.57 0.00 0.00 54.79 57.43 1k90 n ASP 118 Cb 0.49 -0.27 -0.11 0.00 1.84 0.00 0.00 41.12 43.08 1k90 n ASP 118 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1k90 n GLU 119 N -1.26 0.59 -0.32 -1.24 -0.58 -1.26 -4.45 120.64 112.12 1k90 n GLU 119 Ca 0.00 0.32 -0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1k90 n GLU 119 Cb 0.02 -1.55 0.13 0.00 -0.57 0.00 0.00 31.44 29.46 1k90 n GLU 119 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1k90 h GLU 120 N -0.92 1.01 0.01 3.49 5.08 -1.72 -3.10 114.58 118.43 1k90 h GLU 120 Ca -0.62 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.69 1k90 h GLU 120 Cb 1.58 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1k90 h GLU 120 CO -0.35 0.67 -0.26 0.28 -1.00 0.00 0.00 179.01 178.35 1k90 h VAL 121 N 1.04 0.00 -0.53 3.13 2.07 -1.75 0.56 116.25 120.76 1k90 h VAL 121 Ca 0.36 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.04 1k90 h VAL 121 Cb 0.08 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1k90 h VAL 121 CO -0.14 0.00 0.72 0.44 0.02 0.00 0.00 177.57 178.61 1k90 h ASP 122 N -0.33 0.00 0.03 0.57 3.32 -1.76 0.53 116.42 118.78 1k90 h ASP 122 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k90 h ASP 122 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1k90 h ASP 122 CO -0.17 0.00 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.26 1k90 h GLU 123 N 0.00 -0.03 0.29 3.56 4.22 -0.85 -3.08 114.58 118.69 1k90 h GLU 123 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.70 1k90 h GLU 123 Cb 1.69 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.91 1k90 h GLU 123 CO -0.00 0.55 -0.48 0.52 -2.18 0.00 0.00 179.01 177.41 1k90 h MET 124 N -0.64 -0.81 -0.70 1.92 2.86 0.11 -1.29 114.93 116.37 1k90 h MET 124 Ca -0.00 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.84 1k90 h MET 124 Cb 0.60 0.18 -0.13 0.00 0.06 0.00 0.00 31.60 32.31 1k90 h MET 124 CO 0.01 -0.54 -0.14 0.82 1.06 0.00 0.00 176.91 178.12 1k90 h ILE 125 N -0.84 0.31 -0.01 -1.22 2.04 -1.56 0.61 117.51 116.85 1k90 h ILE 125 Ca -0.02 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1k90 h ILE 125 Cb 0.79 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1k90 h ILE 125 CO -0.17 0.00 -0.09 -0.09 0.00 0.00 0.00 178.15 177.80 1k90 h ARG 126 N 0.02 0.02 0.39 2.37 9.65 -1.36 0.22 114.38 125.69 1k90 h ARG 126 Ca 0.35 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1k90 h ARG 126 Cb 0.55 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 1k90 h ARG 126 CO -0.70 0.11 -0.44 0.93 2.80 0.00 0.00 179.97 182.66 1k90 h GLU 127 N 0.02 -0.83 0.00 0.20 4.39 0.14 -2.93 114.58 115.57 1k90 h GLU 127 Ca 0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1k90 h GLU 127 Cb 0.17 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1k90 h GLU 127 CO 0.01 -0.55 -0.38 0.00 -1.16 0.00 0.00 179.01 176.93 1k90 h ALA 128 N -0.55 0.79 -2.86 3.43 0.00 -1.37 -3.46 119.26 115.25 1k90 h ALA 128 Ca -0.04 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1k90 h ALA 128 Cb 0.77 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.68 1k90 h ALA 128 CO -0.09 0.00 0.68 -3.47 0.00 0.00 0.00 179.25 176.37 1k90 n ASP 129 N -2.73 3.34 0.00 0.00 -0.08 0.77 -4.86 116.55 112.99 1k90 n ASP 129 Ca 0.03 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1k90 n ASP 129 Cb 0.51 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.39 1k90 n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1k90 n ILE 130 N 0.12 0.00 0.21 5.18 2.08 -1.26 -4.74 119.36 120.94 1k90 n ILE 130 Ca 0.04 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.46 1k90 n ILE 130 Cb 0.39 -0.63 0.08 0.00 -0.75 0.00 0.00 39.64 38.73 1k90 n ILE 130 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1k90 h ASP 131 N 0.00 0.00 0.00 4.38 3.45 -1.90 -3.47 116.42 118.87 1k90 h ASP 131 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1k90 h ASP 131 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1k90 h ASP 131 CO 0.00 0.01 0.00 0.61 -1.57 0.00 0.00 179.24 178.29 1k90 n GLY 132 N 1.18 0.52 0.27 2.75 0.00 -1.26 -4.85 105.19 103.80 1k90 n GLY 132 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1k90 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k90 n ASP 133 N -0.16 0.18 -1.63 1.61 5.68 -1.26 -4.72 116.55 116.25 1k90 n ASP 133 Ca 0.00 -0.66 -0.20 0.00 -0.50 0.00 0.00 54.79 53.43 1k90 n ASP 133 Cb 0.08 -0.09 -0.07 0.00 -1.14 0.00 0.00 41.12 39.90 1k90 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k90 n GLY 134 N 0.11 1.50 3.53 6.12 0.00 -1.26 -4.93 105.19 110.25 1k90 n GLY 134 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1k90 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k90 s GLN 135 N -3.88 1.49 -0.06 1.61 -0.21 -1.26 -4.76 119.66 112.58 1k90 s GLN 135 Ca 0.00 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.09 1k90 s GLN 135 Cb 0.00 0.44 0.02 0.00 1.00 0.00 0.00 33.01 34.47 1k90 s GLN 135 CO 0.00 -0.60 -0.05 0.08 -2.12 0.00 0.00 175.29 172.59 1k90 s VAL 136 N -4.03 0.67 0.41 1.09 1.01 -1.19 -4.78 120.40 113.58 1k90 s VAL 136 Ca 0.24 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1k90 s VAL 136 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1k90 s VAL 136 CO 0.09 0.27 0.44 0.54 0.00 0.00 0.00 175.10 176.45 1k90 s ASN 137 N 1.21 5.34 0.17 3.32 2.20 -1.26 -0.76 114.94 125.15 1k90 s ASN 137 Ca -0.06 -0.58 -0.22 0.00 -0.94 0.00 0.00 52.86 51.06 1k90 s ASN 137 Cb -0.14 -0.68 0.07 0.00 -2.00 0.00 0.00 41.25 38.50 1k90 s ASN 137 CO -0.02 -0.65 1.60 0.22 -2.94 0.00 0.00 177.10 175.31 1k90 h TYR 138 N 0.90 -0.84 -1.15 1.54 3.20 -1.98 1.21 116.97 119.86 1k90 h TYR 138 Ca -0.41 0.06 0.37 0.00 3.14 0.00 0.00 58.73 61.88 1k90 h TYR 138 Cb 1.27 0.43 -0.13 0.00 1.54 0.00 0.00 36.73 39.84 1k90 h TYR 138 CO 0.47 -0.37 0.71 0.93 -1.64 0.00 0.00 178.16 178.26 1k90 h GLU 139 N -0.23 0.21 0.00 1.82 3.07 -1.95 0.40 114.58 117.90 1k90 h GLU 139 Ca 0.18 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1k90 h GLU 139 Cb 0.53 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1k90 h GLU 139 CO -0.53 0.14 -0.43 0.93 -1.40 0.00 0.00 179.01 177.72 1k90 h GLU 140 N 0.21 0.00 -0.96 2.33 5.08 -0.98 -3.35 114.58 116.91 1k90 h GLU 140 Ca 0.75 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 59.38 1k90 h GLU 140 Cb 2.07 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 31.14 1k90 h GLU 140 CO -0.47 0.20 0.10 0.35 -1.00 0.00 0.00 179.01 178.19 1k90 h PHE 141 N -1.00 0.09 -0.81 4.33 3.57 0.21 0.99 116.94 124.33 1k90 h PHE 141 Ca -0.05 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1k90 h PHE 141 Cb 0.50 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1k90 h PHE 141 CO -0.08 -0.39 0.53 -0.24 -2.23 0.00 0.00 178.31 175.89 1k90 h VAL 142 N 0.04 1.02 -0.71 1.41 3.04 -0.41 0.12 116.25 120.77 1k90 h VAL 142 Ca 0.60 -0.29 0.09 0.00 -1.01 0.00 0.00 66.70 66.09 1k90 h VAL 142 Cb 1.27 0.10 -0.05 0.00 -2.01 0.00 0.00 31.29 30.61 1k90 h VAL 142 CO -0.85 0.15 0.47 1.56 -1.01 0.00 0.00 177.57 177.89 1k90 h GLN 143 N 0.85 0.61 -0.95 4.17 1.08 0.90 0.23 115.11 122.00 1k90 h GLN 143 Ca 0.35 -0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.66 1k90 h GLN 143 Cb 0.28 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.49 1k90 h GLN 143 CO -0.13 0.41 0.60 1.98 -0.95 0.00 0.00 178.83 180.74 1k90 h MET 144 N 0.63 0.78 0.00 1.46 4.05 -0.86 -2.38 114.93 118.62 1k90 h MET 144 Ca 0.32 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1k90 h MET 144 Cb 0.42 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1k90 h MET 144 CO -0.11 0.51 -1.94 -1.33 0.23 0.00 0.00 176.91 174.27 1k90 n MET 145 N -4.61 0.66 0.06 0.39 2.81 -0.59 -3.95 117.12 111.88 1k90 n MET 145 Ca 0.19 -0.17 0.09 0.00 -1.81 0.00 0.00 57.70 55.99 1k90 n MET 145 Cb 0.46 -1.54 0.37 0.00 -0.71 0.00 0.00 33.22 31.80 1k90 n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1k90 n THR 146 N -2.30 1.01 -0.55 2.03 -1.04 -0.03 -5.15 114.28 108.25 1k90 n THR 146 Ca -0.04 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1k90 n THR 146 Cb 0.58 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1k90 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43