#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k90 h GLU 6 N 0.00 0.00 -0.46 -0.78 5.08 -2.06 -3.08 114.58 113.29 1k90 h GLU 6 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1k90 h GLU 6 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1k90 h GLU 6 CO 0.00 0.21 0.16 0.93 -1.00 0.00 0.00 179.01 179.31 1k90 h GLU 7 N 0.00 0.71 -0.89 2.33 5.08 -2.05 -2.05 114.58 117.70 1k90 h GLU 7 Ca -0.00 -0.14 0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1k90 h GLU 7 Cb 0.94 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.93 1k90 h GLU 7 CO 0.03 0.67 -0.37 1.96 -1.00 0.00 0.00 179.01 180.30 1k90 h GLN 8 N 0.61 -0.04 -0.32 2.33 4.20 -1.98 0.70 115.11 120.61 1k90 h GLN 8 Ca 0.15 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1k90 h GLN 8 Cb 0.24 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1k90 h GLN 8 CO -0.01 -0.03 -0.31 0.82 -0.67 0.00 0.00 178.83 178.63 1k90 h ILE 9 N -0.04 1.28 -0.15 2.54 5.03 -1.67 -2.23 117.51 122.28 1k90 h ILE 9 Ca 0.33 -1.44 0.04 0.00 -0.12 0.00 0.00 64.86 63.67 1k90 h ILE 9 Cb 0.59 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.75 1k90 h ILE 9 CO -0.91 0.47 0.12 0.00 -0.68 0.00 0.00 178.15 177.15 1k90 h ALA 10 N 1.08 2.00 0.28 1.87 0.00 0.92 -0.60 119.26 124.80 1k90 h ALA 10 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1k90 h ALA 10 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1k90 h ALA 10 CO 0.07 -0.19 -0.14 0.93 0.00 0.00 0.00 179.25 179.92 1k90 h GLU 11 N 0.00 -0.36 -1.04 0.00 5.08 0.23 -3.01 114.58 115.48 1k90 h GLU 11 Ca 0.07 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.74 1k90 h GLU 11 Cb 0.31 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1k90 h GLU 11 CO -0.00 -0.18 0.71 0.74 -1.00 0.00 0.00 179.01 179.28 1k90 h PHE 12 N -1.07 0.33 -0.35 4.33 0.04 -1.06 0.48 116.94 119.63 1k90 h PHE 12 Ca -0.04 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1k90 h PHE 12 Cb 0.36 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1k90 h PHE 12 CO 0.02 0.04 0.10 -0.22 -0.60 0.00 0.00 178.31 177.64 1k90 h LYS 13 N 0.20 0.55 -0.80 1.51 3.64 -1.15 -2.26 116.57 118.26 1k90 h LYS 13 Ca 0.54 -0.13 0.23 0.00 -1.27 0.00 0.00 60.65 60.02 1k90 h LYS 13 Cb 1.73 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.44 1k90 h LYS 13 CO -0.14 0.59 0.57 0.93 -2.27 0.00 0.00 179.45 179.12 1k90 h GLU 14 N 0.41 0.04 0.04 1.90 4.39 0.10 -0.79 114.58 120.67 1k90 h GLU 14 Ca 0.11 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1k90 h GLU 14 Cb 0.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1k90 h GLU 14 CO -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 179.01 177.85 1k90 h ALA 15 N 1.61 -0.06 0.65 3.43 0.00 -1.19 -2.96 119.26 120.74 1k90 h ALA 15 Ca 0.38 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1k90 h ALA 15 Cb 1.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1k90 h ALA 15 CO -0.02 -0.53 -0.35 0.74 0.00 0.00 0.00 179.25 179.09 1k90 h PHE 16 N -0.07 -0.93 -0.93 0.00 0.04 -1.19 -2.45 116.94 111.42 1k90 h PHE 16 Ca -0.01 -0.01 0.27 0.00 2.80 0.00 0.00 57.97 61.02 1k90 h PHE 16 Cb 0.05 0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 1k90 h PHE 16 CO -0.07 -0.55 0.89 1.03 -0.60 0.00 0.00 178.31 179.00 1k90 h SER 17 N -0.93 0.00 0.00 2.17 0.87 -1.52 -2.47 113.55 111.67 1k90 h SER 17 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1k90 h SER 17 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1k90 h SER 17 CO 0.11 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.59 1k90 n LEU 18 N -3.66 0.53 -4.13 2.23 4.77 -0.93 -4.66 117.00 111.15 1k90 n LEU 18 Ca 0.20 0.58 -0.36 0.00 -0.03 0.00 0.00 56.01 56.40 1k90 n LEU 18 Cb 1.19 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 41.87 1k90 n LEU 18 CO 0.30 -0.29 -0.19 0.12 -1.33 0.00 0.00 177.39 176.00 1k90 s PHE 19 N -1.49 3.55 -0.47 -1.77 5.36 -0.93 -4.96 117.98 117.26 1k90 s PHE 19 Ca 0.00 -2.33 0.03 0.00 -0.96 0.00 0.00 56.93 53.67 1k90 s PHE 19 Cb 0.00 -3.09 0.20 0.00 -0.34 0.00 0.00 43.02 39.79 1k90 s PHE 19 CO 0.00 -0.95 0.83 -3.47 -1.46 0.00 0.00 175.22 170.17 1k90 n ASP 20 N 4.60 -2.92 -1.39 6.13 2.03 -1.20 -4.77 116.55 119.02 1k90 n ASP 20 Ca -0.04 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1k90 n ASP 20 Cb 0.42 1.48 0.00 0.00 -0.72 0.00 0.00 41.12 42.30 1k90 n ASP 20 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1k90 n LYS 21 N 2.83 0.89 -0.03 -0.67 0.00 -1.26 -3.06 118.16 116.86 1k90 n LYS 21 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.43 1k90 n LYS 21 Cb 0.59 -1.05 -0.04 0.00 0.00 0.00 0.00 35.03 34.52 1k90 n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1k90 n ASP 22 N 1.26 3.52 0.00 3.14 2.03 -1.26 -5.08 116.55 120.16 1k90 n ASP 22 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1k90 n ASP 22 Cb 0.45 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1k90 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k90 n GLY 23 N 2.95 1.97 0.10 0.27 0.00 -1.17 -4.62 105.19 104.69 1k90 n GLY 23 Ca -0.11 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 3.92 0.40 -1.25 1.61 8.00 -1.26 -4.88 116.55 123.10 1k90 n ASP 24 Ca 0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1k90 n ASP 24 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 -0.81 -0.21 2.37 0.44 0.00 -1.26 -4.96 105.19 100.76 1k90 n GLY 25 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 1k90 n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k90 n THR 26 N -0.71 1.45 -1.50 2.61 -2.24 -1.25 -4.04 114.28 108.60 1k90 n THR 26 Ca 0.00 -3.00 -0.42 0.00 -2.27 0.00 0.00 64.05 58.36 1k90 n THR 26 Cb 0.29 0.62 0.01 0.00 -2.10 0.00 0.00 70.33 69.15 1k90 n THR 26 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1k90 n ILE 27 N -0.51 2.03 -0.87 2.28 -5.35 -1.11 -2.96 119.36 112.86 1k90 n ILE 27 Ca 0.16 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1k90 n ILE 27 Cb 0.88 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 1k90 n ILE 27 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1k90 n THR 28 N -0.73 0.00 1.49 7.28 -2.24 -1.26 -0.45 114.28 118.37 1k90 n THR 28 Ca 0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1k90 n THR 28 Cb 0.39 -1.67 0.51 0.00 -2.10 0.00 0.00 70.33 67.45 1k90 n THR 28 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1k90 n THR 29 N -0.36 0.09 0.22 4.28 -1.04 -1.26 -2.86 114.28 113.35 1k90 n THR 29 Ca 0.00 -0.24 0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1k90 n THR 29 Cb 0.00 0.26 0.13 0.00 -1.82 0.00 0.00 70.33 68.91 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 1.82 0.00 0.00 -2.82 1.57 -1.93 -3.35 116.57 111.86 1k90 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k90 h LYS 30 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1k90 h LYS 30 CO 0.00 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.03 1k90 n GLU 31 N -2.89 -0.37 -0.28 3.15 0.00 -1.24 -4.78 120.64 114.24 1k90 n GLU 31 Ca 0.03 -0.31 0.09 0.00 0.00 0.00 0.00 57.16 56.97 1k90 n GLU 31 Cb 0.53 -0.80 0.24 0.00 0.00 0.00 0.00 31.44 31.41 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 0.00 0.16 -0.94 -1.84 5.85 -1.66 0.25 115.31 117.13 1k90 h LEU 32 Ca 0.00 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1k90 h LEU 32 Cb 0.16 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1k90 h LEU 32 CO 0.00 -0.02 0.06 1.23 -0.34 0.00 0.00 178.44 179.38 1k90 h GLY 33 N 0.34 0.90 1.39 3.75 0.00 -1.86 -1.73 103.07 105.86 1k90 h GLY 33 Ca 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1k90 h GLY 33 CO -0.52 0.53 0.00 2.41 0.00 0.00 0.00 176.54 178.96 1k90 n THR 34 N -4.24 0.82 -0.01 4.70 -1.04 0.87 -0.76 114.28 114.61 1k90 n THR 34 Ca 0.03 0.21 -0.01 0.00 -2.04 0.00 0.00 64.05 62.24 1k90 n THR 34 Cb 0.27 -1.21 -0.00 0.00 -1.82 0.00 0.00 70.33 67.57 1k90 n THR 34 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1k90 n VAL 35 N -1.20 0.25 0.26 12.58 0.31 -0.65 -4.31 118.33 125.57 1k90 n VAL 35 Ca 0.00 0.44 0.09 0.00 -0.01 0.00 0.00 64.34 64.87 1k90 n VAL 35 Cb 0.00 -1.64 0.68 0.00 -0.91 0.00 0.00 33.84 31.98 1k90 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1k90 h MET 36 N -0.17 0.00 0.56 5.55 2.86 -1.49 -2.52 114.93 119.72 1k90 h MET 36 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1k90 h MET 36 Cb 0.15 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.82 1k90 h MET 36 CO 0.00 0.03 -0.27 -0.09 1.06 0.00 0.00 176.91 177.65 1k90 h ARG 37 N 0.00 -0.72 -0.93 1.72 2.43 -1.08 -1.54 114.38 114.27 1k90 h ARG 37 Ca -0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1k90 h ARG 37 Cb 0.06 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1k90 h ARG 37 CO 0.00 -0.47 0.00 -1.13 -1.51 0.00 0.00 179.97 176.86 1k90 n SER 38 N -5.40 1.82 -3.04 -3.80 3.41 -1.07 -3.95 113.62 101.59 1k90 n SER 38 Ca -0.12 -2.16 -0.15 0.00 -0.26 0.00 0.00 58.87 56.17 1k90 n SER 38 Cb 0.31 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 1k90 n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1k90 n LEU 39 N 0.11 0.85 -3.96 1.04 7.94 -0.63 -5.03 117.00 117.31 1k90 n LEU 39 Ca 0.05 -4.63 -0.37 0.00 -1.11 0.00 0.00 56.01 49.94 1k90 n LEU 39 Cb 0.41 0.65 0.01 0.00 0.53 0.00 0.00 43.42 45.02 1k90 n LEU 39 CO 0.06 2.10 -0.21 0.61 -1.11 0.00 0.00 177.39 178.84 1k90 n GLY 40 N 0.19 -1.05 3.64 -3.96 0.00 -1.21 -4.79 105.19 98.01 1k90 n GLY 40 Ca 0.20 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.60 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 -6.37 0.62 -0.47 1.61 -0.21 -0.92 -5.04 119.66 108.88 1k90 s GLN 41 Ca 0.28 0.90 0.09 0.00 0.02 0.00 0.00 55.36 56.65 1k90 s GLN 41 Cb -0.15 0.21 0.34 0.00 1.00 0.00 0.00 33.01 34.40 1k90 s GLN 41 CO 0.94 -0.10 0.81 0.09 -2.12 0.00 0.00 175.29 174.91 1k90 n ASN 42 N 3.33 2.37 -4.81 5.90 5.03 -1.26 -4.02 115.26 121.80 1k90 n ASN 42 Ca -0.17 -3.28 -0.33 0.00 0.87 0.00 0.00 54.58 51.67 1k90 n ASN 42 Cb 0.57 -0.60 -0.05 0.00 -1.02 0.00 0.00 39.78 38.68 1k90 n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1k90 s PRO 43 N -2.78 4.03 0.53 3.52 0.04 -1.26 -5.00 135.00 134.08 1k90 s PRO 43 Ca 0.43 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 1k90 s PRO 43 Cb 0.30 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1k90 s PRO 43 CO -0.10 -0.22 1.27 0.25 0.04 0.00 0.00 177.00 178.24 1k90 n THR 44 N -0.83 3.59 0.29 1.26 -2.24 -1.26 -4.86 114.28 110.23 1k90 n THR 44 Ca 0.08 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1k90 n THR 44 Cb 0.53 -1.55 0.72 0.00 -2.10 0.00 0.00 70.33 67.93 1k90 n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k90 h GLU 45 N 1.38 0.00 0.02 -0.78 4.39 -2.01 -2.96 114.58 114.62 1k90 h GLU 45 Ca -0.50 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 1k90 h GLU 45 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1k90 h GLU 45 CO 0.56 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 178.41 1k90 h ALA 46 N 2.08 -0.02 0.00 3.43 0.00 -2.02 -3.27 119.26 119.45 1k90 h ALA 46 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1k90 h ALA 46 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k90 h ALA 46 CO 0.00 -0.06 0.10 0.93 0.00 0.00 0.00 179.25 180.22 1k90 h GLU 47 N -0.94 0.00 0.00 0.00 5.08 -1.90 0.50 114.58 117.32 1k90 h GLU 47 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1k90 h GLU 47 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1k90 h GLU 47 CO 0.00 0.00 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.78 1k90 h LEU 48 N 0.00 0.00 0.00 1.33 3.38 -1.60 -2.97 115.31 115.45 1k90 h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k90 h LEU 48 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1k90 h LEU 48 CO 0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1k90 n GLN 49 N -3.27 0.00 -0.30 1.13 1.13 0.17 -2.82 117.38 113.42 1k90 n GLN 49 Ca 0.01 0.35 0.15 0.00 -1.94 0.00 0.00 57.00 55.56 1k90 n GLN 49 Cb 0.43 -0.99 0.40 0.00 0.11 0.00 0.00 30.24 30.19 1k90 n GLN 49 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1k90 h ASP 50 N 0.00 0.62 0.11 1.08 3.04 -1.69 -1.74 116.42 117.85 1k90 h ASP 50 Ca 0.00 0.06 -0.01 0.00 -3.24 0.00 0.00 57.03 53.85 1k90 h ASP 50 Cb 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 1k90 h ASP 50 CO 0.00 0.25 -0.05 0.24 -2.04 0.00 0.00 179.24 177.64 1k90 h MET 51 N 0.62 -0.15 -0.19 4.15 2.86 -1.69 -1.22 114.93 119.32 1k90 h MET 51 Ca 0.51 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 1k90 h MET 51 Cb 0.97 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1k90 h MET 51 CO -0.27 0.20 0.00 1.51 1.06 0.00 0.00 176.91 179.42 1k90 n ILE 52 N -4.99 0.00 0.03 -1.22 0.13 -0.95 -2.17 119.36 110.19 1k90 n ILE 52 Ca -0.09 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.57 1k90 n ILE 52 Cb 0.22 -0.17 -0.01 0.00 -0.84 0.00 0.00 39.64 38.83 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 -0.36 2.98 -0.09 9.51 5.15 -0.70 -4.19 115.26 127.57 1k90 n ASN 53 Ca 0.00 -0.19 -0.11 0.00 -0.60 0.00 0.00 54.58 53.68 1k90 n ASN 53 Cb 0.05 1.06 -0.04 0.00 -0.53 0.00 0.00 39.78 40.32 1k90 n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1k90 n GLU 54 N -1.39 0.52 0.00 1.20 0.00 -0.50 -4.01 120.64 116.46 1k90 n GLU 54 Ca -0.00 0.31 0.14 0.00 0.00 0.00 0.00 57.16 57.61 1k90 n GLU 54 Cb 0.05 -1.52 0.61 0.00 0.00 0.00 0.00 31.44 30.58 1k90 n GLU 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1k90 n VAL 55 N -4.48 0.00 -3.36 6.31 3.14 -1.08 -4.18 118.33 114.68 1k90 n VAL 55 Ca -0.18 -0.01 -0.26 0.00 -2.96 0.00 0.00 64.34 60.94 1k90 n VAL 55 Cb 0.50 -0.38 -0.09 0.00 -1.06 0.00 0.00 33.84 32.81 1k90 n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1k90 n ASP 56 N -1.40 0.61 -1.68 6.55 -0.08 -1.26 -4.88 116.55 114.41 1k90 n ASP 56 Ca 0.09 -2.71 -0.02 0.00 -1.51 0.00 0.00 54.79 50.64 1k90 n ASP 56 Cb 0.31 -0.62 0.08 0.00 2.34 0.00 0.00 41.12 43.23 1k90 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k90 n ALA 57 N 1.91 3.31 0.71 -1.67 0.00 -1.26 -3.94 120.51 119.57 1k90 n ALA 57 Ca 0.25 -3.00 0.10 0.00 0.00 0.00 0.00 53.44 50.80 1k90 n ALA 57 Cb 0.48 -0.58 0.45 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.44 0.03 0.00 0.00 2.03 -1.26 -4.88 116.55 112.04 1k90 n ASP 58 Ca 0.18 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1k90 n ASP 58 Cb 0.91 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.65 0.70 0.00 0.27 0.00 -1.26 -4.93 105.19 100.62 1k90 n GLY 59 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1k90 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k90 n ASN 60 N 0.70 4.56 -1.52 1.61 0.23 -1.26 -5.04 115.26 114.53 1k90 n ASN 60 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1k90 n ASN 60 Cb 0.00 0.33 0.01 0.00 -2.08 0.00 0.00 39.78 38.04 1k90 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k90 n GLY 61 N 3.09 0.01 3.22 4.83 0.00 -1.26 -5.01 105.19 110.07 1k90 n GLY 61 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1k90 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k90 s THR 62 N -2.75 3.10 -0.80 2.61 -4.23 -1.26 -4.25 115.64 108.05 1k90 s THR 62 Ca 0.10 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 59.35 1k90 s THR 62 Cb -0.04 -2.63 0.11 0.00 1.34 0.00 0.00 72.50 71.27 1k90 s THR 62 CO 0.13 0.09 1.00 -0.63 -0.54 0.00 0.00 174.62 174.67 1k90 s ILE 63 N 1.34 4.66 0.00 2.99 1.01 0.41 -4.94 121.20 126.66 1k90 s ILE 63 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1k90 s ILE 63 Cb -0.18 -4.70 0.00 0.00 0.01 0.00 0.00 42.46 37.60 1k90 s ILE 63 CO -0.02 -1.42 0.00 -0.67 0.00 0.00 0.00 174.94 172.83 1k90 n ASP 64 N 6.74 0.00 0.11 3.58 2.03 -1.26 -2.75 116.55 125.00 1k90 n ASP 64 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1k90 n ASP 64 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1k90 n ASP 64 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1k90 n PHE 65 N 0.00 -1.80 -0.31 -0.67 3.01 -1.26 -4.38 117.46 112.05 1k90 n PHE 65 Ca 0.00 0.32 0.12 0.00 1.01 0.00 0.00 57.45 58.90 1k90 n PHE 65 Cb 0.00 0.45 0.35 0.00 -0.01 0.00 0.00 39.48 40.27 1k90 n PHE 65 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1k90 h PRO 66 N 0.00 0.71 0.00 -1.08 0.11 -1.95 1.71 132.00 131.51 1k90 h PRO 66 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1k90 h PRO 66 Cb 0.03 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1k90 h PRO 66 CO 0.00 0.47 0.03 0.93 -0.21 0.00 0.00 178.00 179.22 1k90 h GLU 67 N 0.73 0.00 0.00 1.05 5.08 -1.93 0.36 114.58 119.87 1k90 h GLU 67 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1k90 h GLU 67 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1k90 h GLU 67 CO -0.26 0.00 -0.14 0.34 -1.00 0.00 0.00 179.01 177.95 1k90 n PHE 68 N -2.57 0.00 -0.35 4.33 7.35 0.37 -3.91 117.46 122.69 1k90 n PHE 68 Ca -0.02 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 56.92 1k90 n PHE 68 Cb 0.08 -0.07 0.50 0.00 0.35 0.00 0.00 39.48 40.34 1k90 n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1k90 h LEU 69 N -0.14 0.49 0.00 -2.13 3.38 0.20 0.55 115.31 117.66 1k90 h LEU 69 Ca 0.00 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1k90 h LEU 69 Cb 0.14 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1k90 h LEU 69 CO 0.00 -0.12 -0.07 0.74 0.09 0.00 0.00 178.44 179.09 1k90 h THR 70 N 0.31 1.69 -1.00 0.22 2.02 -0.43 -3.24 112.91 112.47 1k90 h THR 70 Ca 0.73 -2.29 0.18 0.00 0.77 0.00 0.00 66.41 65.80 1k90 h THR 70 Cb 1.75 3.21 -0.10 0.00 -1.74 0.00 0.00 68.15 71.27 1k90 h THR 70 CO -0.55 0.57 0.61 -0.03 0.37 0.00 0.00 175.52 176.48 1k90 h MET 71 N -1.00 0.76 -0.80 6.66 1.85 -1.20 0.26 114.93 121.47 1k90 h MET 71 Ca -0.02 -0.05 0.12 0.00 -0.61 0.00 0.00 59.70 59.14 1k90 h MET 71 Cb 0.98 -0.17 -0.08 0.00 0.43 0.00 0.00 31.60 32.76 1k90 h MET 71 CO -0.01 0.50 0.41 0.52 -0.40 0.00 0.00 176.91 177.93 1k90 h MET 72 N 0.78 0.62 -5.21 0.39 2.07 -0.04 -3.36 114.93 110.18 1k90 h MET 72 Ca 0.57 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 58.14 1k90 h MET 72 Cb 0.85 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.44 1k90 h MET 72 CO -0.37 0.41 0.18 0.00 1.07 0.00 0.00 176.91 178.19 1k90 n ALA 73 N -2.42 0.33 0.02 6.32 0.00 0.92 -3.17 120.51 122.52 1k90 n ALA 73 Ca 0.14 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1k90 n ALA 73 Cb 0.35 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.67 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 8.16 0.00 -0.13 0.00 0.63 -1.26 -4.98 116.66 119.09 1k90 n ARG 74 Ca 0.44 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.33 1k90 n ARG 74 Cb 0.43 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.38 1k90 n ARG 74 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1k90 h LYS 75 N 0.00 0.16 -1.69 -0.14 1.79 -1.84 -1.98 116.57 112.86 1k90 h LYS 75 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1k90 h LYS 75 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1k90 h LYS 75 CO 0.00 0.11 0.00 -1.33 -1.08 0.00 0.00 179.45 177.15 1k90 n MET 76 N -5.14 0.45 0.00 3.15 2.81 -1.26 -2.17 117.12 114.96 1k90 n MET 76 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1k90 n MET 76 Cb 0.21 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.09 1.40 0.02 0.03 3.00 -0.75 -4.65 118.16 118.30 1k90 n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k90 n LYS 77 Cb 0.23 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.38 1k90 n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1k90 n ASP 78 N -1.27 0.17 -0.27 3.14 -0.08 -0.92 -4.76 116.55 112.55 1k90 n ASP 78 Ca 0.00 0.06 0.01 0.00 -1.51 0.00 0.00 54.79 53.35 1k90 n ASP 78 Cb 0.00 -0.03 0.04 0.00 2.34 0.00 0.00 41.12 43.48 1k90 n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1k90 n THR 79 N -3.00 0.17 0.61 5.18 5.66 -1.10 -4.02 114.28 117.78 1k90 n THR 79 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1k90 n THR 79 Cb 0.28 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 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 -0.17 0.51 0.00 1.09 -0.08 -1.26 -3.83 116.55 112.82 1k90 n ASP 80 Ca 0.03 -1.12 0.01 0.00 -1.51 0.00 0.00 54.79 52.19 1k90 n ASP 80 Cb 0.14 -0.26 0.04 0.00 2.34 0.00 0.00 41.12 43.38 1k90 n ASP 80 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1k90 n SER 81 N 0.16 0.00 -0.36 1.67 7.64 -1.26 -3.66 113.62 117.81 1k90 n SER 81 Ca 0.00 -0.34 0.32 0.00 1.01 0.00 0.00 58.87 59.86 1k90 n SER 81 Cb 0.13 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.07 0.32 1.43 4.81 -1.95 0.13 114.58 119.39 1k90 h GLU 82 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1k90 h GLU 82 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1k90 h GLU 82 CO 0.00 0.05 -0.15 0.93 -0.73 0.00 0.00 179.01 179.10 1k90 h GLU 83 N 0.07 -0.42 -0.73 1.92 4.39 -1.95 -2.88 114.58 114.99 1k90 h GLU 83 Ca 0.83 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.67 1k90 h GLU 83 Cb 2.27 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 30.93 1k90 h GLU 83 CO -0.65 -0.09 0.33 0.93 -1.16 0.00 0.00 179.01 178.37 1k90 h GLU 84 N -0.91 0.51 -0.01 2.33 3.07 -1.13 -0.61 114.58 117.82 1k90 h GLU 84 Ca -0.04 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1k90 h GLU 84 Cb 0.52 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1k90 h GLU 84 CO 0.07 0.34 -0.12 0.82 -1.40 0.00 0.00 179.01 178.72 1k90 h ILE 85 N 0.52 0.69 -0.24 3.13 2.04 -1.10 0.38 117.51 122.93 1k90 h ILE 85 Ca 0.38 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.28 1k90 h ILE 85 Cb 0.49 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1k90 h ILE 85 CO -0.33 0.00 0.16 -0.09 0.00 0.00 0.00 178.15 177.89 1k90 h ARG 86 N -0.20 0.14 -0.15 2.37 2.43 -1.16 0.12 114.38 117.93 1k90 h ARG 86 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1k90 h ARG 86 Cb 0.27 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1k90 h ARG 86 CO -0.13 0.09 -0.18 1.49 -1.51 0.00 0.00 179.97 179.73 1k90 h GLU 87 N 0.14 0.39 -0.59 0.20 4.81 0.39 -3.10 114.58 116.83 1k90 h GLU 87 Ca 0.10 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1k90 h GLU 87 Cb 0.23 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1k90 h GLU 87 CO -0.01 0.79 0.15 0.00 -0.73 0.00 0.00 179.01 179.21 1k90 h ALA 88 N 0.59 0.77 -0.84 2.92 0.00 0.96 -2.65 119.26 121.01 1k90 h ALA 88 Ca 0.02 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1k90 h ALA 88 Cb 0.74 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 1k90 h ALA 88 CO 0.04 0.47 0.44 0.35 0.00 0.00 0.00 179.25 180.55 1k90 h PHE 89 N 0.84 0.78 0.00 0.00 3.57 -0.82 0.40 116.94 121.70 1k90 h PHE 89 Ca 0.18 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1k90 h PHE 89 Cb 0.34 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1k90 h PHE 89 CO 0.02 0.21 -0.17 0.00 -2.23 0.00 0.00 178.31 176.14 1k90 h ARG 90 N 0.65 0.00 -0.05 1.11 3.08 -1.39 -2.62 114.38 115.16 1k90 h ARG 90 Ca 0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.49 1k90 h ARG 90 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1k90 h ARG 90 CO -0.34 0.17 0.00 0.28 -1.07 0.00 0.00 179.97 179.01 1k90 h VAL 91 N 0.00 1.23 0.58 2.04 2.07 -0.05 -3.28 116.25 118.84 1k90 h VAL 91 Ca -0.00 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1k90 h VAL 91 Cb 0.37 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1k90 h VAL 91 CO 0.02 0.19 -0.28 -0.26 0.02 0.00 0.00 177.57 177.26 1k90 h PHE 92 N -0.19 -0.73 -0.06 1.57 -1.00 -1.21 -3.35 116.94 111.97 1k90 h PHE 92 Ca 0.01 -0.02 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 1k90 h PHE 92 Cb 0.29 0.24 0.06 0.00 3.61 0.00 0.00 35.95 40.16 1k90 h PHE 92 CO 0.02 -0.44 0.72 -3.47 -1.61 0.00 0.00 178.31 173.53 1k90 n ASP 93 N -5.42 1.32 -0.21 2.17 4.64 -1.01 -4.73 116.55 113.31 1k90 n ASP 93 Ca -0.13 -2.51 -0.07 0.00 -1.38 0.00 0.00 54.79 50.70 1k90 n ASP 93 Cb 0.33 -1.19 0.03 0.00 -1.04 0.00 0.00 41.12 39.25 1k90 n ASP 93 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1k90 h LYS 94 N 10.73 0.82 0.00 -0.67 1.57 -1.79 -2.44 116.57 124.80 1k90 h LYS 94 Ca 0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1k90 h LYS 94 Cb 0.86 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1k90 h LYS 94 CO 1.49 0.62 0.00 0.38 -0.57 0.00 0.00 179.45 181.38 1k90 h ASP 95 N 0.80 0.00 -4.31 0.86 2.03 -1.93 -3.47 116.42 110.40 1k90 h ASP 95 Ca 0.21 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.27 1k90 h ASP 95 Cb 0.04 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 38.64 1k90 h ASP 95 CO -0.03 0.00 -0.48 0.61 -1.03 0.00 0.00 179.24 178.31 1k90 n GLY 96 N 0.37 -0.06 1.22 7.15 0.00 -0.92 -4.93 105.19 108.01 1k90 n GLY 96 Ca 0.03 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.98 3.75 0.00 1.61 6.94 -1.26 -4.94 115.26 119.37 1k90 n ASN 97 Ca -0.10 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1k90 n ASN 97 Cb 0.58 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 1.45 2.29 3.36 4.83 0.00 -1.26 -5.02 105.19 110.85 1k90 n GLY 98 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.40 2.03 -0.28 1.61 1.51 -1.26 -4.07 117.35 114.49 1k90 s TYR 99 Ca 0.00 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 1k90 s TYR 99 Cb 0.00 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 1k90 s TYR 99 CO 0.00 0.37 0.22 0.42 -1.11 0.00 0.00 175.55 175.45 1k90 s ILE 100 N -1.68 5.29 0.35 2.71 1.01 0.34 -4.60 121.20 124.62 1k90 s ILE 100 Ca 0.16 0.24 0.06 0.00 0.00 0.00 0.00 60.65 61.10 1k90 s ILE 100 Cb -0.08 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1k90 s ILE 100 CO 0.07 0.24 0.50 -0.94 0.00 0.00 0.00 174.94 174.81 1k90 s SER 101 N 1.70 5.96 0.16 3.58 1.04 -1.26 -1.75 113.70 123.13 1k90 s SER 101 Ca 0.08 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 1k90 s SER 101 Cb -0.16 -1.30 0.08 0.00 0.10 0.00 0.00 66.02 64.74 1k90 s SER 101 CO 0.11 -0.46 1.70 0.00 0.98 0.00 0.00 173.24 175.57 1k90 h ALA 102 N 0.83 0.32 -0.15 5.32 0.00 -1.88 0.12 119.26 123.81 1k90 h ALA 102 Ca -0.46 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1k90 h ALA 102 Cb 1.25 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1k90 h ALA 102 CO 0.54 -0.40 -0.30 0.00 0.00 0.00 0.00 179.25 179.09 1k90 h ALA 103 N 1.31 -0.32 -0.36 0.00 0.00 -1.95 0.06 119.26 118.00 1k90 h ALA 103 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1k90 h ALA 103 Cb 0.24 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1k90 h ALA 103 CO -0.29 -0.77 0.14 0.93 0.00 0.00 0.00 179.25 179.27 1k90 h GLU 104 N -0.36 0.29 -0.96 0.00 5.08 -1.70 -0.90 114.58 116.03 1k90 h GLU 104 Ca 0.10 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.58 1k90 h GLU 104 Cb 0.52 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1k90 h GLU 104 CO -0.36 0.19 0.61 1.25 -1.00 0.00 0.00 179.01 179.70 1k90 h LEU 105 N 0.30 0.81 0.75 1.33 6.46 -0.13 -1.86 115.31 122.97 1k90 h LEU 105 Ca 0.16 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1k90 h LEU 105 Cb 0.12 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1k90 h LEU 105 CO -0.15 0.41 -0.46 -0.09 -0.62 0.00 0.00 178.44 177.52 1k90 h ARG 106 N 0.86 -1.09 -0.74 1.25 2.43 0.38 -1.39 114.38 116.09 1k90 h ARG 106 Ca 0.49 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.90 1k90 h ARG 106 Cb 0.63 0.25 -0.13 0.00 -0.42 0.00 0.00 29.97 30.30 1k90 h ARG 106 CO -0.26 -0.73 -0.00 0.45 -1.51 0.00 0.00 179.97 177.93 1k90 h HIS 107 N -1.13 -0.06 -0.41 2.20 3.86 -0.76 1.29 115.15 120.15 1k90 h HIS 107 Ca -0.10 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1k90 h HIS 107 Cb 0.90 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.50 1k90 h HIS 107 CO -0.09 -0.23 0.15 0.28 0.86 0.00 0.00 177.93 178.90 1k90 h VAL 108 N 0.10 1.20 -0.11 2.45 2.07 -1.31 0.16 116.25 120.82 1k90 h VAL 108 Ca 0.40 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1k90 h VAL 108 Cb 0.69 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1k90 h VAL 108 CO -0.65 0.23 -0.02 0.24 0.02 0.00 0.00 177.57 177.39 1k90 h MET 109 N 0.51 0.20 0.07 1.57 2.07 0.09 -1.84 114.93 117.60 1k90 h MET 109 Ca 0.13 -0.07 0.01 0.00 -2.07 0.00 0.00 59.70 57.70 1k90 h MET 109 Cb 0.21 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1k90 h MET 109 CO -0.01 0.49 -0.33 1.15 1.07 0.00 0.00 176.91 179.29 1k90 h THR 110 N -0.10 0.00 -0.26 2.22 2.02 0.18 -0.34 112.91 116.62 1k90 h THR 110 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.28 1k90 h THR 110 Cb 0.41 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1k90 h THR 110 CO 0.01 0.00 0.34 0.78 0.37 0.00 0.00 175.52 177.02 1k90 h ASN 111 N -0.46 0.00 -0.01 4.18 2.35 -0.70 0.45 115.58 121.38 1k90 h ASN 111 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k90 h ASN 111 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1k90 h ASN 111 CO -0.18 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.78 1k90 n LEU 112 N -3.60 0.82 0.00 1.61 4.77 -0.69 -4.90 117.00 115.01 1k90 n LEU 112 Ca 0.04 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1k90 n LEU 112 Cb 0.47 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1k90 n LEU 112 CO 0.25 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1k90 n GLY 113 N 1.09 0.47 3.28 -0.72 0.00 0.16 -5.06 105.19 104.40 1k90 n GLY 113 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.77 2.73 -0.08 1.61 2.56 -0.22 -4.98 118.70 119.55 1k90 s GLU 114 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 54.97 53.08 1k90 s GLU 114 Cb 0.00 -4.02 -0.02 0.00 2.00 0.00 0.00 34.13 32.09 1k90 s GLU 114 CO 0.00 -1.13 1.05 0.15 -0.56 0.00 0.00 175.26 174.77 1k90 s LYS 115 N 1.49 4.42 0.30 4.30 -0.14 -1.26 -2.77 119.74 126.08 1k90 s LYS 115 Ca 0.04 1.47 0.11 0.00 -1.36 0.00 0.00 55.97 56.23 1k90 s LYS 115 Cb -0.26 -3.54 -0.05 0.00 -1.68 0.00 0.00 37.83 32.30 1k90 s LYS 115 CO 0.02 -0.33 -0.17 -0.51 -0.76 0.00 0.00 175.35 173.61 1k90 s LEU 116 N 1.97 2.63 0.01 3.17 1.43 -1.26 -5.04 118.68 121.59 1k90 s LEU 116 Ca 0.50 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1k90 s LEU 116 Cb -0.20 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1k90 s LEU 116 CO 0.20 -0.04 0.34 0.42 0.23 0.00 0.00 176.35 177.50 1k90 s THR 117 N -2.55 5.17 -0.18 5.49 -4.23 -1.26 -4.94 115.64 113.14 1k90 s THR 117 Ca 0.31 0.51 0.07 0.00 -1.18 0.00 0.00 61.69 61.40 1k90 s THR 117 Cb -0.03 -3.62 0.07 0.00 1.34 0.00 0.00 72.50 70.27 1k90 s THR 117 CO 0.15 0.46 1.06 0.47 -0.54 0.00 0.00 174.62 176.23 1k90 n ASP 118 N 1.44 0.19 0.07 3.99 9.92 -1.26 0.55 116.55 131.46 1k90 n ASP 118 Ca -0.13 0.43 -0.23 0.00 -0.53 0.00 0.00 54.79 54.33 1k90 n ASP 118 Cb 0.53 -0.38 -0.15 0.00 -0.64 0.00 0.00 41.12 40.47 1k90 n ASP 118 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1k90 h GLU 119 N 0.00 0.40 0.44 -1.24 4.81 -1.99 -3.32 114.58 113.68 1k90 h GLU 119 Ca 0.00 -0.68 -0.02 0.00 -0.13 0.00 0.00 59.36 58.53 1k90 h GLU 119 Cb 0.60 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1k90 h GLU 119 CO 0.00 1.33 -0.21 0.93 -0.73 0.00 0.00 179.01 180.32 1k90 h GLU 120 N 0.10 -0.57 -1.00 1.92 5.08 -0.28 -2.23 114.58 117.60 1k90 h GLU 120 Ca -0.34 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.28 1k90 h GLU 120 Cb 2.09 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 31.38 1k90 h GLU 120 CO 0.18 -0.27 0.63 -0.39 -1.00 0.00 0.00 179.01 178.16 1k90 h VAL 121 N -0.92 0.62 0.00 3.13 -1.51 -1.69 1.89 116.25 117.77 1k90 h VAL 121 Ca -0.06 -0.19 -0.06 0.00 -1.23 0.00 0.00 66.70 65.16 1k90 h VAL 121 Cb 0.57 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 1k90 h VAL 121 CO 0.10 0.10 -0.26 0.44 -1.23 0.00 0.00 177.57 176.72 1k90 h ASP 122 N 0.55 0.00 -0.00 4.19 5.19 -1.64 1.07 116.42 125.78 1k90 h ASP 122 Ca 0.57 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.78 1k90 h ASP 122 Cb 1.19 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.72 1k90 h ASP 122 CO -0.33 0.26 -0.80 -0.33 -3.12 0.00 0.00 179.24 174.92 1k90 h GLU 123 N 0.00 0.55 -0.35 3.56 4.39 0.32 -1.18 114.58 121.88 1k90 h GLU 123 Ca -0.00 -0.59 -0.03 0.00 0.34 0.00 0.00 59.36 59.08 1k90 h GLU 123 Cb 0.65 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1k90 h GLU 123 CO 0.03 1.21 0.09 0.52 -1.16 0.00 0.00 179.01 179.70 1k90 h MET 124 N 0.13 0.55 -0.43 2.33 2.86 0.12 0.14 114.93 120.64 1k90 h MET 124 Ca -0.10 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 1k90 h MET 124 Cb 1.49 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.06 1k90 h MET 124 CO 0.16 0.60 -0.01 0.82 1.06 0.00 0.00 176.91 179.55 1k90 h ILE 125 N 0.41 1.26 -0.70 -1.22 1.08 0.11 -1.72 117.51 116.73 1k90 h ILE 125 Ca 0.11 -1.04 -0.06 0.00 -0.39 0.00 0.00 64.86 63.48 1k90 h ILE 125 Cb 0.30 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 1k90 h ILE 125 CO 0.00 0.35 0.19 -0.09 -0.69 0.00 0.00 178.15 177.91 1k90 h ARG 126 N 0.59 1.11 0.00 2.37 2.43 -1.12 0.50 114.38 120.27 1k90 h ARG 126 Ca 0.12 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1k90 h ARG 126 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1k90 h ARG 126 CO 0.02 0.97 -0.27 0.93 -1.51 0.00 0.00 179.97 180.12 1k90 h GLU 127 N 1.04 0.00 0.00 0.20 4.39 -0.79 -2.68 114.58 116.74 1k90 h GLU 127 Ca 0.22 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.79 1k90 h GLU 127 Cb 0.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1k90 h GLU 127 CO -0.00 0.27 -1.25 0.00 -1.16 0.00 0.00 179.01 176.87 1k90 h ALA 128 N 1.73 0.63 -2.33 3.43 0.00 -0.69 -3.46 119.26 118.59 1k90 h ALA 128 Ca -0.00 -0.66 -0.55 0.00 0.00 0.00 0.00 54.91 53.70 1k90 h ALA 128 Cb 0.48 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1k90 h ALA 128 CO 0.03 0.72 0.86 0.34 0.00 0.00 0.00 179.25 181.21 1k90 s ASP 129 N -5.77 6.85 -0.26 0.00 3.68 0.17 -4.86 116.67 116.49 1k90 s ASP 129 Ca -0.02 2.05 -0.06 0.00 2.13 0.00 0.00 52.55 56.66 1k90 s ASP 129 Cb 0.09 -2.55 -0.16 0.00 -1.45 0.00 0.00 42.92 38.84 1k90 s ASP 129 CO 0.80 -0.74 -0.22 -0.38 0.13 0.00 0.00 175.17 174.76 1k90 n ILE 130 N 4.85 1.53 1.86 4.11 5.41 -1.26 -4.38 119.36 131.47 1k90 n ILE 130 Ca 0.14 -0.48 0.15 0.00 1.00 0.00 0.00 62.75 63.56 1k90 n ILE 130 Cb 0.44 -1.64 0.84 0.00 -0.71 0.00 0.00 39.64 38.57 1k90 n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1k90 n ASP 131 N -3.70 0.35 -3.29 4.38 5.68 -1.26 -4.95 116.55 113.76 1k90 n ASP 131 Ca -0.48 -1.09 -0.16 0.00 -0.50 0.00 0.00 54.79 52.56 1k90 n ASP 131 Cb 0.94 -0.01 0.06 0.00 -1.14 0.00 0.00 41.12 40.98 1k90 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k90 n GLY 132 N 1.05 -1.16 0.00 6.12 0.00 -1.26 -4.93 105.19 105.01 1k90 n GLY 132 Ca 0.22 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -3.08 1.12 0.00 1.61 5.75 -1.26 -4.99 116.55 115.70 1k90 n ASP 133 Ca -0.07 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1k90 n ASP 133 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1k90 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k90 n GLY 134 N -0.15 1.22 3.14 6.12 0.00 -1.26 -5.01 105.19 109.24 1k90 n GLY 134 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1k90 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k90 s GLN 135 N -0.20 0.74 -0.20 1.61 -2.07 -1.26 -4.64 119.66 113.64 1k90 s GLN 135 Ca 0.00 -1.10 -0.06 0.00 -1.82 0.00 0.00 55.36 52.38 1k90 s GLN 135 Cb 0.00 -0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 31.57 1k90 s GLN 135 CO 0.00 0.03 0.02 0.08 -1.32 0.00 0.00 175.29 174.10 1k90 s VAL 136 N -2.57 4.22 0.51 3.63 1.01 -0.72 -4.78 120.40 121.70 1k90 s VAL 136 Ca 0.03 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1k90 s VAL 136 Cb -0.02 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1k90 s VAL 136 CO -0.02 0.43 0.58 0.54 0.00 0.00 0.00 175.10 176.63 1k90 s ASN 137 N 0.86 5.06 0.14 3.32 2.20 -1.26 0.13 114.94 125.39 1k90 s ASN 137 Ca 0.02 -0.86 -0.27 0.00 -0.94 0.00 0.00 52.86 50.81 1k90 s ASN 137 Cb -0.14 -0.00 -0.02 0.00 -2.00 0.00 0.00 41.25 39.09 1k90 s ASN 137 CO 0.02 -1.05 1.59 0.22 -2.94 0.00 0.00 177.10 174.95 1k90 h TYR 138 N 0.57 -1.04 -0.57 1.54 3.20 -1.99 0.13 116.97 118.81 1k90 h TYR 138 Ca -0.35 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.65 1k90 h TYR 138 Cb 1.29 0.49 -0.10 0.00 1.54 0.00 0.00 36.73 39.94 1k90 h TYR 138 CO 0.58 -0.43 -0.44 0.93 -1.64 0.00 0.00 178.16 177.16 1k90 h GLU 139 N -0.40 -0.23 -0.88 1.82 3.07 -1.95 0.28 114.58 116.29 1k90 h GLU 139 Ca 0.11 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.02 1k90 h GLU 139 Cb 0.58 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.49 1k90 h GLU 139 CO -0.43 -0.15 0.56 0.93 -1.40 0.00 0.00 179.01 178.52 1k90 h GLU 140 N -0.24 1.04 0.00 2.33 5.08 -1.79 0.25 114.58 121.25 1k90 h GLU 140 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1k90 h GLU 140 Cb 0.56 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1k90 h GLU 140 CO -0.68 0.69 -0.14 0.35 -1.00 0.00 0.00 179.01 178.23 1k90 h PHE 141 N 1.07 0.00 0.01 4.33 3.57 0.17 0.34 116.94 126.42 1k90 h PHE 141 Ca 0.36 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 1k90 h PHE 141 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1k90 h PHE 141 CO -0.02 0.14 -0.01 0.28 -2.23 0.00 0.00 178.31 176.47 1k90 h VAL 142 N 0.00 1.54 -0.13 1.41 2.07 0.94 -0.99 116.25 121.10 1k90 h VAL 142 Ca -0.00 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.79 1k90 h VAL 142 Cb 0.28 2.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 1k90 h VAL 142 CO 0.02 0.45 -0.42 1.56 0.02 0.00 0.00 177.57 179.20 1k90 h GLN 143 N -0.79 -0.48 -0.91 1.57 1.08 -0.33 1.81 115.11 117.06 1k90 h GLN 143 Ca -0.00 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 1k90 h GLN 143 Cb 0.75 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 28.22 1k90 h GLN 143 CO 0.00 -0.32 0.58 1.98 -0.95 0.00 0.00 178.83 180.13 1k90 h MET 144 N -0.49 0.74 0.08 1.46 4.05 -0.42 -1.14 114.93 119.21 1k90 h MET 144 Ca 0.07 -0.04 -0.30 0.00 -0.28 0.00 0.00 59.70 59.15 1k90 h MET 144 Cb 0.63 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1k90 h MET 144 CO -0.40 0.49 -1.59 1.98 0.23 0.00 0.00 176.91 177.62 1k90 h MET 145 N 0.76 0.18 0.00 0.39 1.85 0.37 -3.41 114.93 115.07 1k90 h MET 145 Ca 0.45 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 1k90 h MET 145 Cb 0.65 0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.79 1k90 h MET 145 CO -0.21 0.98 -0.02 1.79 -0.40 0.00 0.00 176.91 179.05 1k90 h THR 146 N 0.05 0.00 0.00 -0.77 1.35 0.29 -3.50 112.91 110.33 1k90 h THR 146 Ca -0.26 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1k90 h THR 146 Cb 2.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1k90 h THR 146 CO 0.13 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.40