#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k68 s HIS 10 N 0.00 1.88 0.07 0.00 0.00 -1.26 -5.03 115.29 110.95 1k68 s HIS 10 Ca 0.00 -0.37 -0.08 0.00 -3.00 0.00 0.00 55.06 51.61 1k68 s HIS 10 Cb 0.00 -1.17 -0.06 0.00 -4.00 0.00 0.00 32.58 27.36 1k68 s HIS 10 CO 0.00 0.02 0.37 0.15 -1.00 0.00 0.00 174.74 174.28 1k68 s LYS 11 N -0.80 3.70 -0.14 -0.38 1.02 -1.26 -4.92 119.74 116.96 1k68 s LYS 11 Ca 0.08 0.08 -0.05 0.00 0.02 0.00 0.00 55.97 56.10 1k68 s LYS 11 Cb -0.08 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1k68 s LYS 11 CO 0.00 0.57 0.04 0.21 -0.92 0.00 0.00 175.35 175.25 1k68 s LYS 12 N -1.99 3.53 -0.15 1.68 2.20 -1.26 -1.37 119.74 122.38 1k68 s LYS 12 Ca 0.33 -0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1k68 s LYS 12 Cb -0.13 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1k68 s LYS 12 CO 0.19 0.50 -0.14 0.42 -0.36 0.00 0.00 175.35 175.96 1k68 s ILE 13 N -0.28 2.84 -0.36 5.43 1.01 0.11 -0.07 121.20 129.88 1k68 s ILE 13 Ca 0.08 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1k68 s ILE 13 Cb -0.12 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1k68 s ILE 13 CO 0.02 0.51 0.20 0.12 0.00 0.00 0.00 174.94 175.78 1k68 s PHE 14 N 0.71 3.23 -0.31 3.97 5.36 0.32 -0.97 117.98 130.28 1k68 s PHE 14 Ca -0.06 -0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 54.96 1k68 s PHE 14 Cb -0.15 -2.42 -0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1k68 s PHE 14 CO 0.02 -0.59 0.17 -1.17 -1.46 0.00 0.00 175.22 172.18 1k68 s LEU 15 N 1.57 4.15 -0.47 6.12 2.96 -0.26 -0.73 118.68 132.02 1k68 s LEU 15 Ca 0.03 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 1k68 s LEU 15 Cb -0.19 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.58 1k68 s LEU 15 CO 0.07 -0.18 0.36 -0.69 -1.32 0.00 0.00 176.35 174.58 1k68 s VAL 16 N 1.65 4.40 -0.17 1.68 1.01 -0.45 -1.74 120.40 126.77 1k68 s VAL 16 Ca 0.05 -1.67 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 1k68 s VAL 16 Cb -0.17 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1k68 s VAL 16 CO 0.07 -0.75 0.65 -0.70 0.00 0.00 0.00 175.10 174.38 1k68 s GLU 17 N 1.42 0.86 -0.06 2.72 2.56 -0.96 -4.56 118.70 120.69 1k68 s GLU 17 Ca 0.05 0.65 0.14 0.00 0.00 0.00 0.00 54.97 55.81 1k68 s GLU 17 Cb -0.26 0.41 -0.21 0.00 2.00 0.00 0.00 34.13 36.07 1k68 s GLU 17 CO 0.00 -0.17 0.23 -0.40 -0.56 0.00 0.00 175.26 174.37 1k68 n ASP 18 N 2.06 1.61 -4.59 -1.70 5.75 -1.26 -4.15 116.55 114.27 1k68 n ASP 18 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.20 1k68 n ASP 18 Cb 0.56 1.40 -0.03 0.00 -1.03 0.00 0.00 41.12 42.03 1k68 n ASP 18 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1k68 s ASN 19 N -4.03 5.67 0.41 -1.12 3.84 -1.26 -4.85 114.94 113.60 1k68 s ASN 19 Ca -0.06 1.16 0.10 0.00 0.21 0.00 0.00 52.86 54.27 1k68 s ASN 19 Cb 0.08 -2.52 0.91 0.00 -0.55 0.00 0.00 41.25 39.16 1k68 s ASN 19 CO 0.60 -1.91 2.01 0.11 -2.79 0.00 0.00 177.10 175.12 1k68 h LYS 20 N 13.77 0.51 -0.07 0.43 1.57 -1.98 0.22 116.57 131.02 1k68 h LYS 20 Ca -0.32 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1k68 h LYS 20 Cb 1.18 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1k68 h LYS 20 CO 1.07 0.34 0.03 0.00 -0.57 0.00 0.00 179.45 180.31 1k68 h ALA 21 N 1.70 0.09 -0.54 3.86 0.00 -2.00 -0.26 119.26 122.12 1k68 h ALA 21 Ca 0.23 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1k68 h ALA 21 Cb 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1k68 h ALA 21 CO -0.06 -0.31 -0.05 -0.44 0.00 0.00 0.00 179.25 178.38 1k68 h ASP 22 N -0.06 0.94 -0.45 0.00 3.32 -1.78 -1.92 116.42 116.47 1k68 h ASP 22 Ca 0.02 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 56.83 1k68 h ASP 22 Cb 0.19 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1k68 h ASP 22 CO -0.00 1.03 0.24 0.40 -1.72 0.00 0.00 179.24 179.18 1k68 h ILE 23 N 0.87 0.99 0.49 0.35 2.04 -0.39 0.22 117.51 122.08 1k68 h ILE 23 Ca 0.15 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1k68 h ILE 23 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1k68 h ILE 23 CO 0.04 0.09 -0.31 -0.09 0.00 0.00 0.00 178.15 177.88 1k68 h ARG 24 N 0.48 -0.73 -0.14 2.37 2.43 -0.73 -0.18 114.38 117.88 1k68 h ARG 24 Ca 0.19 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1k68 h ARG 24 Cb 0.08 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1k68 h ARG 24 CO -0.12 -0.49 -0.03 1.25 -1.51 0.00 0.00 179.97 179.07 1k68 h LEU 25 N -0.76 -0.12 -0.58 3.80 6.46 -1.07 -0.01 115.31 123.03 1k68 h LEU 25 Ca -0.05 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1k68 h LEU 25 Cb 0.62 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.59 1k68 h LEU 25 CO 0.05 -0.04 0.31 0.40 -0.62 0.00 0.00 178.44 178.54 1k68 h ILE 26 N 0.01 0.97 -0.22 4.05 2.04 -0.50 0.45 117.51 124.29 1k68 h ILE 26 Ca 0.07 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1k68 h ILE 26 Cb 0.10 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1k68 h ILE 26 CO -0.14 0.11 -0.11 1.56 0.00 0.00 0.00 178.15 179.57 1k68 h GLN 27 N 0.59 0.36 -0.26 2.37 4.20 -0.53 -1.63 115.11 120.21 1k68 h GLN 27 Ca 0.26 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1k68 h GLN 27 Cb 0.15 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1k68 h GLN 27 CO -0.17 0.48 -0.40 0.93 -0.67 0.00 0.00 178.83 179.01 1k68 h GLU 28 N 0.34 0.73 -0.39 1.46 4.39 0.02 -1.81 114.58 119.32 1k68 h GLU 28 Ca 0.07 -0.44 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 1k68 h GLU 28 Cb 0.40 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1k68 h GLU 28 CO 0.02 1.06 0.02 0.00 -1.16 0.00 0.00 179.01 178.95 1k68 h ALA 29 N 0.66 0.52 0.00 3.43 0.00 -0.75 -2.72 119.26 120.40 1k68 h ALA 29 Ca 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1k68 h ALA 29 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1k68 h ALA 29 CO 0.09 0.28 -0.23 -0.07 0.00 0.00 0.00 179.25 179.32 1k68 h LEU 30 N 0.51 0.00 -1.00 0.00 3.38 -1.32 -2.59 115.31 114.29 1k68 h LEU 30 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1k68 h LEU 30 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1k68 h LEU 30 CO 0.02 0.23 -0.28 0.00 0.09 0.00 0.00 178.44 178.50 1k68 h ALA 31 N 1.77 1.00 -0.62 1.53 0.00 -1.02 -3.04 119.26 118.87 1k68 h ALA 31 Ca -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 54.91 54.31 1k68 h ALA 31 Cb 0.63 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.18 1k68 h ALA 31 CO 0.03 0.35 0.43 0.09 0.00 0.00 0.00 179.25 180.15 1k68 n ASN 32 N -3.42 4.01 -4.87 0.00 3.02 -0.98 -4.94 115.26 108.08 1k68 n ASN 32 Ca 0.00 -3.05 -0.31 0.00 -0.03 0.00 0.00 54.58 51.19 1k68 n ASN 32 Cb 0.47 -0.76 0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1k68 n ASN 32 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1k68 s SER 33 N -0.43 6.25 0.00 6.41 1.04 -1.15 -4.95 113.70 120.87 1k68 s SER 33 Ca 0.36 1.41 0.26 0.00 0.48 0.00 0.00 55.95 58.46 1k68 s SER 33 Cb 0.30 -2.46 1.10 0.00 0.10 0.00 0.00 66.02 65.06 1k68 s SER 33 CO 0.06 -0.85 1.82 0.35 0.98 0.00 0.00 173.24 175.60 1k68 n THR 34 N -2.68 0.23 -3.68 2.02 -2.24 -1.26 -4.61 114.28 102.06 1k68 n THR 34 Ca 0.06 0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 1k68 n THR 34 Cb 0.54 -0.61 -0.17 0.00 -2.10 0.00 0.00 70.33 67.99 1k68 n THR 34 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k68 s VAL 35 N -3.00 -0.14 0.26 2.28 1.01 -1.26 -5.13 120.40 114.41 1k68 s VAL 35 Ca 0.12 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1k68 s VAL 35 Cb 0.17 -0.18 -0.14 0.00 0.00 0.00 0.00 36.38 36.23 1k68 s VAL 35 CO 0.47 0.16 1.24 -2.65 0.00 0.00 0.00 175.10 174.32 1k68 n PRO 36 N 5.19 1.71 -4.38 2.72 -0.02 -1.26 -5.01 135.00 133.95 1k68 n PRO 36 Ca -0.06 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1k68 n PRO 36 Cb 0.50 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1k68 n PRO 36 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1k68 s HIS 37 N -0.52 1.73 -0.20 6.00 3.76 -1.26 -4.49 115.29 120.30 1k68 s HIS 37 Ca 0.64 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 54.58 1k68 s HIS 37 Cb -0.69 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 1k68 s HIS 37 CO 0.55 -0.01 -0.01 -2.00 -0.85 0.00 0.00 174.74 172.41 1k68 s GLU 38 N -3.87 3.59 -0.24 1.40 2.12 -0.47 -4.99 118.70 116.24 1k68 s GLU 38 Ca 0.32 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 1k68 s GLU 38 Cb 0.07 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.42 1k68 s GLU 38 CO 0.12 0.02 -0.04 0.08 -0.54 0.00 0.00 175.26 174.89 1k68 s VAL 39 N 0.97 3.16 -0.18 3.70 1.01 -1.26 0.05 120.40 127.84 1k68 s VAL 39 Ca 0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1k68 s VAL 39 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1k68 s VAL 39 CO 0.01 0.29 -0.04 -0.69 0.00 0.00 0.00 175.10 174.67 1k68 s VAL 40 N 1.41 3.61 -0.15 2.92 1.01 -0.14 -4.98 120.40 124.07 1k68 s VAL 40 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1k68 s VAL 40 Cb -0.16 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1k68 s VAL 40 CO -0.04 0.46 -0.15 -0.89 0.00 0.00 0.00 175.10 174.48 1k68 s THR 41 N 0.90 2.71 0.14 3.92 2.01 -1.26 -1.10 115.64 122.96 1k68 s THR 41 Ca -0.01 -0.76 0.11 0.00 0.31 0.00 0.00 61.69 61.34 1k68 s THR 41 Cb -0.15 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1k68 s THR 41 CO 0.01 0.52 -0.26 0.68 -0.69 0.00 0.00 174.62 174.88 1k68 s VAL 42 N 0.70 2.33 -1.66 3.82 -7.23 -0.71 -5.00 120.40 112.65 1k68 s VAL 42 Ca -0.07 -1.80 0.18 0.00 -1.81 0.00 0.00 61.98 58.48 1k68 s VAL 42 Cb -0.16 -2.05 0.45 0.00 0.56 0.00 0.00 36.38 35.18 1k68 s VAL 42 CO 0.02 0.04 1.37 0.54 -0.31 0.00 0.00 175.10 176.76 1k68 n ARG 43 N 0.75 2.61 -3.65 4.82 1.74 -1.26 -2.25 116.66 119.41 1k68 n ARG 43 Ca -0.17 -2.30 -0.10 0.00 -0.77 0.00 0.00 57.85 54.52 1k68 n ARG 43 Cb 0.54 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 1k68 n ARG 43 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1k68 s ASP 44 N -1.08 -0.20 0.29 0.55 -4.77 -1.26 -4.26 116.67 105.94 1k68 s ASP 44 Ca 0.36 -0.35 -0.01 0.00 -3.30 0.00 0.00 52.55 49.25 1k68 s ASP 44 Cb 0.19 0.46 0.47 0.00 -1.09 0.00 0.00 42.92 42.95 1k68 s ASP 44 CO 0.26 -0.84 1.93 1.23 0.70 0.00 0.00 175.17 178.45 1k68 h GLY 45 N 2.40 1.29 0.82 2.12 0.00 -1.24 -1.56 103.07 106.90 1k68 h GLY 45 Ca -0.34 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1k68 h GLY 45 CO 0.48 0.37 -0.28 -0.33 0.00 0.00 0.00 176.54 176.78 1k68 h MET 46 N 1.10 -0.64 -0.84 4.80 2.86 -1.79 -1.19 114.93 119.23 1k68 h MET 46 Ca 0.36 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.08 1k68 h MET 46 Cb 0.05 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1k68 h MET 46 CO -0.11 -0.42 0.55 0.93 1.06 0.00 0.00 176.91 178.92 1k68 h GLU 47 N -0.66 1.02 0.12 1.72 4.39 -1.91 -1.33 114.58 117.93 1k68 h GLU 47 Ca -0.04 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1k68 h GLU 47 Cb 0.56 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1k68 h GLU 47 CO 0.02 0.67 -0.33 0.00 -1.16 0.00 0.00 179.01 178.21 1k68 h ALA 48 N 1.51 -0.57 -0.61 3.43 0.00 -0.67 0.62 119.26 122.97 1k68 h ALA 48 Ca 0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1k68 h ALA 48 Cb 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1k68 h ALA 48 CO -0.10 -0.88 0.11 0.52 0.00 0.00 0.00 179.25 178.91 1k68 h MET 49 N -0.56 1.00 -0.52 0.00 2.86 -0.83 -1.51 114.93 115.38 1k68 h MET 49 Ca 0.03 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1k68 h MET 49 Cb 0.59 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1k68 h MET 49 CO -0.19 0.94 0.30 0.00 1.06 0.00 0.00 176.91 179.01 1k68 h ALA 50 N 1.03 0.66 -0.32 6.32 0.00 -0.96 0.41 119.26 126.39 1k68 h ALA 50 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1k68 h ALA 50 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1k68 h ALA 50 CO 0.01 -0.01 0.15 -0.92 0.00 0.00 0.00 179.25 178.48 1k68 h TYR 51 N 0.59 0.47 -0.04 0.00 3.20 -0.67 0.03 116.97 120.56 1k68 h TYR 51 Ca 0.21 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1k68 h TYR 51 Cb 0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1k68 h TYR 51 CO -0.07 0.43 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.40 1k68 h LEU 52 N 0.38 0.08 -1.59 2.82 3.38 -0.92 -2.08 115.31 117.38 1k68 h LEU 52 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1k68 h LEU 52 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1k68 h LEU 52 CO -0.01 0.48 0.00 0.54 0.09 0.00 0.00 178.44 179.54 1k68 n ARG 53 N -4.05 2.01 -3.97 1.13 1.74 0.10 -4.93 116.66 108.69 1k68 n ARG 53 Ca -0.02 -1.56 -0.29 0.00 -0.77 0.00 0.00 57.85 55.22 1k68 n ARG 53 Cb 0.45 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1k68 n ARG 53 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1k68 n GLN 54 N 0.77 -2.44 -4.04 5.56 6.02 -0.65 -4.94 117.38 117.66 1k68 n GLN 54 Ca 0.15 0.35 -0.35 0.00 -0.01 0.00 0.00 57.00 57.14 1k68 n GLN 54 Cb 0.37 -4.19 -0.10 0.00 1.02 0.00 0.00 30.24 27.35 1k68 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k68 s GLU 55 N -6.64 3.89 5.32 -1.09 2.02 -0.10 -4.21 118.70 117.89 1k68 s GLU 55 Ca 0.11 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1k68 s GLU 55 Cb -0.05 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1k68 s GLU 55 CO 0.91 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.92 1k68 n GLY 56 N 3.38 1.17 0.43 -1.39 0.00 -1.26 -3.29 105.19 104.23 1k68 n GLY 56 Ca -0.17 -0.68 0.25 0.00 0.00 0.00 0.00 46.02 45.42 1k68 n GLY 56 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k68 h GLU 57 N 0.00 0.05 -1.07 1.61 4.11 -1.97 0.22 114.58 117.53 1k68 h GLU 57 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1k68 h GLU 57 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1k68 h GLU 57 CO 0.00 0.03 0.03 0.66 0.07 0.00 0.00 179.01 179.81 1k68 n TYR 58 N -4.33 0.16 -0.22 2.06 4.02 -1.21 -4.35 117.16 113.29 1k68 n TYR 58 Ca 0.16 -0.61 -0.06 0.00 -0.01 0.00 0.00 57.90 57.38 1k68 n TYR 58 Cb 0.81 -0.31 0.05 0.00 -0.02 0.00 0.00 39.34 39.87 1k68 n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k68 h ALA 59 N 1.88 0.80 -0.19 -0.72 0.00 -0.73 -3.18 119.26 117.12 1k68 h ALA 59 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k68 h ALA 59 Cb 1.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1k68 h ALA 59 CO 0.06 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1k68 n ASN 60 N -4.66 2.80 -4.63 0.00 3.02 -1.26 -4.90 115.26 105.62 1k68 n ASN 60 Ca 0.05 -1.82 -0.44 0.00 -0.03 0.00 0.00 54.58 52.34 1k68 n ASN 60 Cb 0.03 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1k68 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k68 n ALA 61 N 1.04 1.52 -1.46 5.41 0.00 -1.20 -4.92 120.51 120.89 1k68 n ALA 61 Ca 0.13 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1k68 n ALA 61 Cb 0.47 -2.73 0.07 0.00 0.00 0.00 0.00 19.45 17.26 1k68 n ALA 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k68 s SER 62 N 5.81 4.71 0.21 0.00 1.04 -1.26 -4.88 113.70 119.32 1k68 s SER 62 Ca 0.94 2.20 -0.31 0.00 0.48 0.00 0.00 55.95 59.27 1k68 s SER 62 Cb -0.46 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 62.98 1k68 s SER 62 CO 0.42 -1.91 1.51 -0.60 0.98 0.00 0.00 173.24 173.64 1k68 s ARG 63 N -3.92 4.23 0.63 4.02 3.52 -1.26 -4.99 118.95 121.18 1k68 s ARG 63 Ca 0.71 2.34 -0.15 0.00 -0.13 0.00 0.00 55.73 58.51 1k68 s ARG 63 Cb -0.25 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1k68 s ARG 63 CO 0.42 -0.53 1.07 -1.25 -0.81 0.00 0.00 175.30 174.20 1k68 s PRO 64 N 0.40 3.12 0.11 5.12 0.04 -1.26 -4.84 135.00 137.69 1k68 s PRO 64 Ca 0.65 1.19 0.20 0.00 0.04 0.00 0.00 61.00 63.08 1k68 s PRO 64 Cb -0.43 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1k68 s PRO 64 CO 0.37 -0.97 0.88 -0.25 0.04 0.00 0.00 177.00 177.07 1k68 n ASP 65 N -2.34 0.77 -3.75 6.66 9.92 0.90 -4.90 116.55 123.81 1k68 n ASP 65 Ca 0.09 0.32 -0.12 0.00 -0.53 0.00 0.00 54.79 54.54 1k68 n ASP 65 Cb 0.53 0.45 -0.12 0.00 -0.64 0.00 0.00 41.12 41.33 1k68 n ASP 65 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1k68 s LEU 66 N -5.49 0.59 -0.15 0.64 2.96 -1.04 -4.29 118.68 111.91 1k68 s LEU 66 Ca -0.02 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1k68 s LEU 66 Cb 0.09 0.87 -0.02 0.00 0.50 0.00 0.00 46.19 47.64 1k68 s LEU 66 CO 0.81 -0.14 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.97 1k68 s ILE 67 N 0.82 3.24 -0.27 6.68 1.01 -0.21 -0.52 121.20 131.96 1k68 s ILE 67 Ca -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1k68 s ILE 67 Cb -0.07 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1k68 s ILE 67 CO -0.05 0.51 0.06 -0.76 0.00 0.00 0.00 174.94 174.69 1k68 s LEU 68 N 0.51 3.61 0.00 2.97 1.43 0.09 -0.00 118.68 127.30 1k68 s LEU 68 Ca -0.07 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1k68 s LEU 68 Cb -0.15 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1k68 s LEU 68 CO 0.04 -0.13 0.06 -0.11 0.23 0.00 0.00 176.35 176.44 1k68 n LEU 69 N 4.87 0.00 0.04 1.79 7.94 0.31 -1.35 117.00 130.60 1k68 n LEU 69 Ca -0.15 -1.12 0.00 0.00 -1.11 0.00 0.00 56.01 53.62 1k68 n LEU 69 Cb 0.49 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1k68 n LEU 69 CO 0.31 -0.25 -0.15 0.18 -1.11 0.00 0.00 177.39 176.37 1k68 n LEU 71 N 0.00 0.17 -4.31 -1.96 4.77 -1.26 -0.72 117.00 113.69 1k68 n LEU 71 Ca -0.05 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.67 1k68 n LEU 71 Cb 0.23 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1k68 n LEU 71 CO 0.13 -0.46 1.99 -3.20 -1.33 0.00 0.00 177.39 174.52 1k68 n ASN 72 N -3.03 3.92 -4.82 -1.43 4.05 -1.26 0.16 115.26 112.85 1k68 n ASN 72 Ca 0.00 -2.81 -0.29 0.00 0.45 0.00 0.00 54.58 51.92 1k68 n ASN 72 Cb 0.15 -1.65 -0.06 0.00 1.23 0.00 0.00 39.78 39.46 1k68 n ASN 72 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1k68 s LEU 73 N 5.39 3.94 0.53 1.20 1.43 -1.26 -4.91 118.68 125.00 1k68 s LEU 73 Ca 0.57 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.51 1k68 s LEU 73 Cb 0.06 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.63 1k68 s LEU 73 CO 0.07 0.14 1.05 -2.84 0.23 0.00 0.00 176.35 175.00 1k68 s PRO 74 N -2.64 3.59 0.00 1.29 0.02 -1.26 -3.80 135.00 132.20 1k68 s PRO 74 Ca 0.31 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1k68 s PRO 74 Cb -0.12 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1k68 s PRO 74 CO 0.24 -0.60 0.00 1.63 -0.33 0.00 0.00 177.00 177.94 1k68 n LYS 75 N -1.36 0.00 -3.72 5.54 4.76 -1.26 -2.78 118.16 119.34 1k68 n LYS 75 Ca 0.09 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.34 1k68 n LYS 75 Cb 0.52 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.54 1k68 n LYS 75 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k68 s LYS 76 N 0.00 0.03 0.79 1.97 2.20 -1.26 -4.91 119.74 118.56 1k68 s LYS 76 Ca 0.00 0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.79 1k68 s LYS 76 Cb 0.00 -0.52 0.07 0.00 -1.51 0.00 0.00 37.83 35.87 1k68 s LYS 76 CO 0.00 -0.29 1.11 0.16 -0.36 0.00 0.00 175.35 175.97 1k68 s ASP 77 N 1.89 4.58 0.41 1.43 1.47 -1.25 -2.10 116.67 123.10 1k68 s ASP 77 Ca 0.02 1.17 0.08 0.00 1.18 0.00 0.00 52.55 55.00 1k68 s ASP 77 Cb -0.12 -1.88 0.87 0.00 -0.34 0.00 0.00 42.92 41.45 1k68 s ASP 77 CO -0.03 -1.90 2.04 1.23 0.68 0.00 0.00 175.17 177.19 1k68 h GLY 78 N -1.04 0.61 0.74 2.12 0.00 -0.59 -1.69 103.07 103.22 1k68 h GLY 78 Ca -0.47 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 46.70 1k68 h GLY 78 CO 0.61 0.20 0.44 0.07 0.00 0.00 0.00 176.54 177.86 1k68 h ARG 79 N 0.56 0.79 -0.22 4.80 -0.00 -1.93 0.33 114.38 118.71 1k68 h ARG 79 Ca 0.18 -0.05 -0.19 0.00 -0.00 0.00 0.00 59.98 59.92 1k68 h ARG 79 Cb 0.03 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 29.82 1k68 h ARG 79 CO -0.04 0.53 -0.59 0.93 -0.00 0.00 0.00 179.97 180.80 1k68 h GLU 80 N 0.82 0.79 -0.42 0.08 5.08 -1.77 -2.32 114.58 116.84 1k68 h GLU 80 Ca 0.32 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1k68 h GLU 80 Cb 0.14 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1k68 h GLU 80 CO -0.16 1.18 0.27 0.28 -1.00 0.00 0.00 179.01 179.57 1k68 h VAL 81 N 0.54 1.12 0.09 3.13 2.07 -0.73 -1.56 116.25 120.90 1k68 h VAL 81 Ca -0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1k68 h VAL 81 Cb 1.20 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1k68 h VAL 81 CO 0.13 0.12 -0.11 0.25 0.02 0.00 0.00 177.57 177.98 1k68 h LEU 82 N 0.56 -0.28 -0.79 2.57 5.85 -0.34 -0.60 115.31 122.28 1k68 h LEU 82 Ca 0.15 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1k68 h LEU 82 Cb -0.03 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1k68 h LEU 82 CO -0.03 -0.16 0.47 0.00 -0.34 0.00 0.00 178.44 178.37 1k68 h ALA 83 N 0.67 1.10 -0.14 1.25 0.00 -1.25 -1.06 119.26 119.82 1k68 h ALA 83 Ca 0.01 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1k68 h ALA 83 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1k68 h ALA 83 CO -0.04 0.16 -0.57 0.93 0.00 0.00 0.00 179.25 179.72 1k68 h GLU 84 N 0.83 0.45 0.12 0.00 5.08 -0.99 -2.85 114.58 117.21 1k68 h GLU 84 Ca 0.36 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1k68 h GLU 84 Cb 0.23 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1k68 h GLU 84 CO -0.20 0.89 -0.06 0.82 -1.00 0.00 0.00 179.01 179.47 1k68 h ILE 85 N 0.34 1.08 0.00 3.13 2.04 -0.66 -2.80 117.51 120.64 1k68 h ILE 85 Ca 0.00 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1k68 h ILE 85 Cb 1.10 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1k68 h ILE 85 CO 0.10 0.23 0.00 0.29 0.00 0.00 0.00 178.15 178.77 1k68 n LYS 86 N -4.94 0.32 -0.01 2.37 4.76 -0.44 -2.07 118.16 118.15 1k68 n LYS 86 Ca -0.09 0.09 0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1k68 n LYS 86 Cb 0.26 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.81 1k68 n LYS 86 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1k68 n SER 87 N -1.22 0.81 -4.70 4.39 2.88 -1.08 -4.75 113.62 109.95 1k68 n SER 87 Ca 0.09 -0.10 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 1k68 n SER 87 Cb 0.12 1.74 -0.03 0.00 -0.75 0.00 0.00 64.21 65.29 1k68 n SER 87 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1k68 s ASP 88 N -3.95 6.99 0.48 -3.46 -1.08 -0.88 -4.92 116.67 109.85 1k68 s ASP 88 Ca -0.05 2.05 0.28 0.00 -0.52 0.00 0.00 52.55 54.30 1k68 s ASP 88 Cb 0.12 -2.57 1.35 0.00 -1.46 0.00 0.00 42.92 40.35 1k68 s ASP 88 CO 0.76 -0.56 1.83 -0.65 0.52 0.00 0.00 175.17 177.06 1k68 h PRO 89 N 7.09 0.16 0.00 4.34 0.11 -1.92 -2.05 132.00 139.72 1k68 h PRO 89 Ca -0.40 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.41 1k68 h PRO 89 Cb 1.20 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1k68 h PRO 89 CO 0.85 0.10 -2.12 -2.37 -0.21 0.00 0.00 178.00 174.25 1k68 n THR 90 N -4.37 1.12 0.25 -1.15 5.66 -1.26 -4.58 114.28 109.95 1k68 n THR 90 Ca 0.23 -0.55 0.12 0.00 -3.05 0.00 0.00 64.05 60.79 1k68 n THR 90 Cb 0.99 -0.91 0.21 0.00 -1.55 0.00 0.00 70.33 69.07 1k68 n THR 90 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1k68 h LEU 91 N 0.00 0.00 -2.81 1.09 3.38 -1.77 -3.32 115.31 111.88 1k68 h LEU 91 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1k68 h LEU 91 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1k68 h LEU 91 CO -0.02 0.00 0.04 0.07 0.09 0.00 0.00 178.44 178.62 1k68 h LYS 92 N 0.00 0.00 0.00 1.13 2.10 -0.88 -1.24 116.57 117.68 1k68 h LYS 92 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1k68 h LYS 92 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1k68 h LYS 92 CO 0.00 0.00 -0.27 0.54 -2.00 0.00 0.00 179.45 177.72 1k68 n ARG 93 N -3.02 0.25 -2.23 0.07 1.74 -1.25 -4.80 116.66 107.41 1k68 n ARG 93 Ca -0.03 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1k68 n ARG 93 Cb 0.11 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 1k68 n ARG 93 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k68 s ILE 94 N -3.12 3.76 0.13 0.55 1.01 -0.47 -4.81 121.20 118.25 1k68 s ILE 94 Ca 0.09 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.55 1k68 s ILE 94 Cb 0.13 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 1k68 s ILE 94 CO 0.65 -0.01 1.58 -2.84 0.00 0.00 0.00 174.94 174.31 1k68 s PRO 95 N 2.55 4.22 -0.16 2.79 0.02 -1.26 -4.89 135.00 138.27 1k68 s PRO 95 Ca 0.63 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.97 1k68 s PRO 95 Cb -0.31 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 30.90 1k68 s PRO 95 CO 0.26 -0.63 -0.13 0.08 -0.33 0.00 0.00 177.00 176.25 1k68 s VAL 96 N 1.61 2.92 -0.29 3.83 1.01 -1.26 -1.04 120.40 127.17 1k68 s VAL 96 Ca 0.71 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1k68 s VAL 96 Cb -0.42 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1k68 s VAL 96 CO 0.31 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 175.22 1k68 s VAL 97 N 0.74 2.93 -0.05 2.92 1.01 1.00 -1.97 120.40 126.98 1k68 s VAL 97 Ca -0.06 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 1k68 s VAL 97 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1k68 s VAL 97 CO 0.01 -0.09 1.13 -0.69 0.00 0.00 0.00 175.10 175.46 1k68 s VAL 98 N 1.25 4.43 -0.26 2.92 1.01 -0.06 -0.53 120.40 129.16 1k68 s VAL 98 Ca -0.05 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.68 1k68 s VAL 98 Cb -0.20 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.14 1k68 s VAL 98 CO -0.01 0.03 -0.01 -0.22 0.00 0.00 0.00 175.10 174.88 1k68 s LEU 99 N 1.91 2.81 0.06 3.92 2.96 0.11 0.08 118.68 130.53 1k68 s LEU 99 Ca 0.54 -1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.01 1k68 s LEU 99 Cb -0.23 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1k68 s LEU 99 CO 0.22 -0.29 0.09 -0.94 -1.32 0.00 0.00 176.35 174.11 1k68 s SER 100 N 1.37 0.26 0.47 3.68 1.04 -0.34 -4.48 113.70 115.69 1k68 s SER 100 Ca -0.01 -0.73 0.28 0.00 0.48 0.00 0.00 55.95 55.97 1k68 s SER 100 Cb -0.19 0.26 0.85 0.00 0.10 0.00 0.00 66.02 67.04 1k68 s SER 100 CO -0.09 -0.62 1.79 0.71 0.98 0.00 0.00 173.24 176.00 1k68 h THR 101 N 3.15 0.00 -2.79 2.02 1.35 -1.87 0.49 112.91 115.26 1k68 h THR 101 Ca -0.34 -0.72 -0.53 0.00 -0.55 0.00 0.00 66.41 64.28 1k68 h THR 101 Cb 1.18 1.70 0.03 0.00 -1.73 0.00 0.00 68.15 69.33 1k68 h THR 101 CO 0.58 0.00 0.91 -0.55 -0.25 0.00 0.00 175.52 176.20 1k68 s SER 102 N -5.78 6.64 -0.03 5.36 0.15 -1.26 -4.70 113.70 114.08 1k68 s SER 102 Ca 0.05 2.49 0.09 0.00 0.70 0.00 0.00 55.95 59.28 1k68 s SER 102 Cb 0.07 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 62.06 1k68 s SER 102 CO 0.60 -0.82 1.21 2.30 1.20 0.00 0.00 173.24 177.72 1k68 n ILE 103 N 4.32 1.20 -1.69 6.45 -0.00 -1.26 -4.80 119.36 123.58 1k68 n ILE 103 Ca 0.14 -1.17 -0.42 0.00 -0.00 0.00 0.00 62.75 61.30 1k68 n ILE 103 Cb 0.40 0.37 -0.03 0.00 -0.00 0.00 0.00 39.64 40.38 1k68 n ILE 103 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1k68 s ASN 104 N -1.21 6.43 0.35 7.28 3.84 -1.26 -4.89 114.94 125.48 1k68 s ASN 104 Ca 0.20 2.74 0.05 0.00 0.21 0.00 0.00 52.86 56.06 1k68 s ASN 104 Cb 0.13 -2.55 0.71 0.00 -0.55 0.00 0.00 41.25 38.98 1k68 s ASN 104 CO 0.10 -1.03 1.94 1.05 -2.79 0.00 0.00 177.10 176.37 1k68 h GLU 105 N 9.30 0.78 -0.37 0.43 -0.00 -2.00 -1.86 114.58 120.86 1k68 h GLU 105 Ca -0.47 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.36 58.75 1k68 h GLU 105 Cb 1.22 -0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.78 1k68 h GLU 105 CO 0.95 0.52 -0.15 -0.44 -0.00 0.00 0.00 179.01 179.88 1k68 h ASP 106 N 0.80 0.67 -0.54 3.06 3.32 -1.99 -1.83 116.42 119.91 1k68 h ASP 106 Ca 0.35 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1k68 h ASP 106 Cb 0.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1k68 h ASP 106 CO -0.13 0.83 -0.02 0.44 -1.72 0.00 0.00 179.24 178.64 1k68 h ASP 107 N 0.61 0.98 0.18 6.45 3.45 -1.74 -0.35 116.42 126.00 1k68 h ASP 107 Ca 0.10 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 1k68 h ASP 107 Cb 0.60 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1k68 h ASP 107 CO 0.04 1.05 -0.09 0.40 -1.57 0.00 0.00 179.24 179.07 1k68 h ILE 108 N 0.91 0.91 -0.04 0.35 2.04 -1.12 -1.05 117.51 119.51 1k68 h ILE 108 Ca 0.16 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1k68 h ILE 108 Cb 0.56 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1k68 h ILE 108 CO 0.03 0.11 0.02 0.15 0.00 0.00 0.00 178.15 178.47 1k68 h PHE 109 N -0.48 0.05 -0.64 1.37 3.57 -1.31 -2.49 116.94 117.00 1k68 h PHE 109 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1k68 h PHE 109 Cb 0.37 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1k68 h PHE 109 CO 0.00 0.05 0.39 1.25 -2.23 0.00 0.00 178.31 177.77 1k68 h HIS 110 N 0.04 0.84 -0.44 0.41 2.76 -1.07 -0.65 115.15 117.04 1k68 h HIS 110 Ca 0.01 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1k68 h HIS 110 Cb 0.01 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 1k68 h HIS 110 CO -0.07 0.57 0.28 0.77 -1.30 0.00 0.00 177.93 178.18 1k68 h SER 111 N 0.87 0.46 -0.03 3.26 0.02 -1.05 0.15 113.55 117.23 1k68 h SER 111 Ca 0.23 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1k68 h SER 111 Cb -0.03 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1k68 h SER 111 CO -0.04 0.33 -0.40 1.88 -1.14 0.00 0.00 176.83 177.46 1k68 h TYR 112 N 0.56 0.65 0.00 3.45 -1.99 -1.23 -1.35 116.97 117.05 1k68 h TYR 112 Ca 0.17 -0.19 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1k68 h TYR 112 Cb -0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1k68 h TYR 112 CO -0.06 0.86 -0.20 0.22 -0.00 0.00 0.00 178.16 178.98 1k68 h ASP 113 N 0.45 0.00 -0.04 3.88 3.58 -0.49 -0.63 116.42 123.17 1k68 h ASP 113 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1k68 h ASP 113 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1k68 h ASP 113 CO 0.08 0.20 0.00 0.18 -2.88 0.00 0.00 179.24 176.82 1k68 n LEU 114 N -4.28 0.62 0.00 2.28 4.77 -0.02 -4.91 117.00 115.47 1k68 n LEU 114 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1k68 n LEU 114 Cb 0.26 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1k68 n LEU 114 CO 0.36 0.12 0.00 1.41 -1.33 0.00 0.00 177.39 177.95 1k68 n HIS 115 N -0.43 0.00 -1.84 -1.77 8.25 -0.24 -4.77 115.22 114.41 1k68 n HIS 115 Ca 0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.26 1k68 n HIS 115 Cb 0.18 -0.81 0.04 0.00 1.12 0.00 0.00 29.99 30.53 1k68 n HIS 115 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k68 s VAL 116 N -2.00 2.22 0.12 1.59 0.11 -0.54 -4.90 120.40 117.00 1k68 s VAL 116 Ca 0.00 0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 1k68 s VAL 116 Cb 0.00 -3.07 -0.16 0.00 -1.53 0.00 0.00 36.38 31.61 1k68 s VAL 116 CO 0.00 -0.01 1.31 0.78 -3.33 0.00 0.00 175.10 173.85 1k68 h ASN 117 N 1.25 0.80 -5.00 3.54 4.21 -1.74 -3.45 115.58 115.19 1k68 h ASN 117 Ca -0.51 -0.55 -0.06 0.00 1.21 0.00 0.00 56.30 56.38 1k68 h ASN 117 Cb 1.30 -0.24 -0.19 0.00 -1.12 0.00 0.00 38.32 38.08 1k68 h ASN 117 CO 0.56 1.34 0.13 0.00 -1.29 0.00 0.00 177.43 178.17 1k68 s TYR 119 N -1.44 2.31 -0.03 0.00 5.04 -1.26 -0.88 117.35 121.09 1k68 s TYR 119 Ca -0.10 -1.01 0.02 0.00 -2.44 0.00 0.00 57.07 53.54 1k68 s TYR 119 Cb -0.01 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.73 1k68 s TYR 119 CO 0.07 -0.45 -0.08 0.42 -1.34 0.00 0.00 175.55 174.17 1k68 s ILE 120 N 0.59 0.75 -0.07 3.14 1.01 0.11 -4.97 121.20 121.76 1k68 s ILE 120 Ca -0.14 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 1k68 s ILE 120 Cb -0.17 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1k68 s ILE 120 CO 0.04 0.25 0.40 0.42 0.00 0.00 0.00 174.94 176.04 1k68 s THR 121 N 0.38 5.15 0.13 2.92 -4.23 -1.26 -1.20 115.64 117.54 1k68 s THR 121 Ca -0.06 0.79 -0.31 0.00 -1.18 0.00 0.00 61.69 60.93 1k68 s THR 121 Cb -0.10 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.93 1k68 s THR 121 CO 0.01 0.46 1.50 -0.54 -0.54 0.00 0.00 174.62 175.51 1k68 s LYS 122 N -0.23 4.25 0.83 3.99 1.02 0.17 -4.87 119.74 124.90 1k68 s LYS 122 Ca 0.23 2.24 -0.11 0.00 0.02 0.00 0.00 55.97 58.35 1k68 s LYS 122 Cb -0.15 -3.24 0.09 0.00 -0.52 0.00 0.00 37.83 34.01 1k68 s LYS 122 CO 0.10 -0.55 1.12 -1.12 -0.92 0.00 0.00 175.35 173.98 1k68 s SER 123 N 1.26 3.79 0.17 2.83 0.01 -1.26 -4.81 113.70 115.69 1k68 s SER 123 Ca 0.68 2.03 0.12 0.00 1.31 0.00 0.00 55.95 60.08 1k68 s SER 123 Cb -0.40 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.19 1k68 s SER 123 CO 0.31 -2.52 1.27 0.00 0.41 0.00 0.00 173.24 172.71 1k68 h ALA 124 N -1.38 0.54 -2.54 1.44 0.00 -1.99 -3.44 119.26 111.90 1k68 h ALA 124 Ca -0.44 -0.75 -0.64 0.00 0.00 0.00 0.00 54.91 53.09 1k68 h ALA 124 Cb 1.25 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1k68 h ALA 124 CO 0.47 0.98 -0.11 1.21 0.00 0.00 0.00 179.25 181.79 1k68 s ASN 125 N -6.48 6.30 0.24 0.00 3.84 -1.26 -4.98 114.94 112.60 1k68 s ASN 125 Ca 0.02 0.08 -0.08 0.00 0.21 0.00 0.00 52.86 53.09 1k68 s ASN 125 Cb 0.09 -2.25 0.40 0.00 -0.55 0.00 0.00 41.25 38.94 1k68 s ASN 125 CO 0.79 -0.38 1.64 -0.07 -2.79 0.00 0.00 177.10 176.29 1k68 h LEU 126 N 8.91 -0.31 -1.17 3.21 3.38 -1.99 0.66 115.31 128.00 1k68 h LEU 126 Ca -0.29 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1k68 h LEU 126 Cb 1.14 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1k68 h LEU 126 CO 0.73 -0.16 0.20 0.28 0.09 0.00 0.00 178.44 179.58 1k68 h SER 127 N 0.11 0.71 -0.20 -0.43 0.02 -1.98 0.18 113.55 111.97 1k68 h SER 127 Ca 0.39 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1k68 h SER 127 Cb 0.68 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1k68 h SER 127 CO -0.63 0.66 0.03 1.56 -1.14 0.00 0.00 176.83 177.31 1k68 h GLN 128 N 0.77 0.33 -0.85 3.45 4.20 -1.36 -1.24 115.11 120.42 1k68 h GLN 128 Ca 0.18 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1k68 h GLN 128 Cb 0.18 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1k68 h GLN 128 CO -0.01 0.49 0.57 1.25 -0.67 0.00 0.00 178.83 180.45 1k68 h LEU 129 N 0.13 0.98 -0.68 1.46 5.85 -0.56 0.75 115.31 123.24 1k68 h LEU 129 Ca 0.06 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1k68 h LEU 129 Cb 0.32 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1k68 h LEU 129 CO 0.00 0.71 0.40 0.15 -0.34 0.00 0.00 178.44 179.36 1k68 h PHE 130 N 1.16 0.74 0.00 1.25 3.57 -0.37 -0.27 116.94 123.02 1k68 h PHE 130 Ca 0.31 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 1k68 h PHE 130 Cb -0.14 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1k68 h PHE 130 CO -0.01 0.39 -0.40 1.96 -2.23 0.00 0.00 178.31 178.01 1k68 h GLN 131 N 0.76 0.00 -0.25 1.11 1.08 -0.07 -2.21 115.11 115.52 1k68 h GLN 131 Ca 0.29 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 1k68 h GLN 131 Cb 0.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1k68 h GLN 131 CO -0.15 0.40 -0.15 0.82 -0.95 0.00 0.00 178.83 178.80 1k68 h ILE 132 N 0.00 1.30 -0.64 2.54 2.04 0.37 -1.24 117.51 121.89 1k68 h ILE 132 Ca -0.00 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1k68 h ILE 132 Cb 0.81 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1k68 h ILE 132 CO 0.05 0.39 0.32 0.58 0.00 0.00 0.00 178.15 179.50 1k68 h VAL 133 N 0.27 1.20 -0.55 1.67 2.07 -0.86 0.16 116.25 120.21 1k68 h VAL 133 Ca 0.05 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1k68 h VAL 133 Cb 0.67 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1k68 h VAL 133 CO 0.04 0.23 0.15 0.11 0.02 0.00 0.00 177.57 178.13 1k68 h LYS 134 N 0.90 0.84 -0.42 1.57 1.79 -1.18 -0.65 116.57 119.43 1k68 h LYS 134 Ca 0.23 -0.16 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 1k68 h LYS 134 Cb 0.07 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1k68 h LYS 134 CO -0.03 0.74 -0.22 0.78 -1.08 0.00 0.00 179.45 179.64 1k68 h GLY 135 N 0.97 0.91 0.94 3.86 0.00 0.09 -1.03 103.07 108.81 1k68 h GLY 135 Ca 0.18 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1k68 h GLY 135 CO -0.00 0.71 0.05 -2.22 0.00 0.00 0.00 176.54 175.08 1k68 h ILE 136 N 0.73 1.08 0.24 2.60 2.04 -0.32 -1.40 117.51 122.49 1k68 h ILE 136 Ca 0.10 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1k68 h ILE 136 Cb 0.75 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1k68 h ILE 136 CO 0.06 0.07 -0.12 -0.08 0.00 0.00 0.00 178.15 178.08 1k68 h GLU 137 N 0.06 -0.31 -0.74 2.37 4.22 -1.01 -1.00 114.58 118.17 1k68 h GLU 137 Ca 0.03 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.56 1k68 h GLU 137 Cb 0.07 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1k68 h GLU 137 CO -0.01 -0.21 0.43 0.93 -2.18 0.00 0.00 179.01 177.98 1k68 h GLU 138 N -0.33 0.75 0.00 1.92 4.39 -1.13 0.16 114.58 120.35 1k68 h GLU 138 Ca -0.03 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1k68 h GLU 138 Cb 0.25 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1k68 h GLU 138 CO 0.05 0.50 -0.27 0.35 -1.16 0.00 0.00 179.01 178.48 1k68 h PHE 139 N 0.78 0.27 0.12 4.33 3.57 -1.15 -2.15 116.94 122.70 1k68 h PHE 139 Ca 0.34 -0.15 -0.28 0.00 3.53 0.00 0.00 57.97 61.41 1k68 h PHE 139 Cb 0.21 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1k68 h PHE 139 CO -0.06 0.97 -1.33 -1.49 -2.23 0.00 0.00 178.31 174.16 1k68 h TRP 140 N -0.51 0.45 -0.02 0.41 4.06 -1.16 0.87 115.95 120.05 1k68 h TRP 140 Ca -0.04 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1k68 h TRP 140 Cb 1.05 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1k68 h TRP 140 CO 0.18 1.30 -0.13 1.28 -3.56 0.00 0.00 178.44 177.51 1k68 n LEU 141 N -3.49 2.15 0.09 -4.49 4.77 0.54 -4.34 117.00 112.23 1k68 n LEU 141 Ca -0.11 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1k68 n LEU 141 Cb 1.03 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1k68 n LEU 141 CO 0.52 0.37 -0.02 -0.24 -1.33 0.00 0.00 177.39 176.69 1k68 n SER 142 N 0.50 0.39 -0.04 -1.43 2.88 -1.09 -4.94 113.62 109.89 1k68 n SER 142 Ca 0.14 0.30 -0.13 0.00 -1.33 0.00 0.00 58.87 57.86 1k68 n SER 142 Cb 0.48 0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 1k68 n SER 142 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1k68 h THR 143 N 0.00 1.33 -4.34 2.46 2.02 -1.16 -3.45 112.91 109.77 1k68 h THR 143 Ca 0.00 -1.14 -0.51 0.00 0.77 0.00 0.00 66.41 65.53 1k68 h THR 143 Cb 0.04 1.86 0.09 0.00 -1.74 0.00 0.00 68.15 68.41 1k68 h THR 143 CO 0.00 0.32 0.37 0.00 0.37 0.00 0.00 175.52 176.58 1k68 s ALA 144 N -4.47 2.69 -0.31 6.16 0.00 0.28 -5.03 121.76 121.08 1k68 s ALA 144 Ca -0.15 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 1k68 s ALA 144 Cb 0.04 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1k68 s ALA 144 CO 0.72 -1.21 0.09 0.99 0.00 0.00 0.00 175.76 176.34 1k68 s THR 145 N -3.05 3.84 0.49 0.00 2.01 -1.26 -4.82 115.64 112.85 1k68 s THR 145 Ca 0.58 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 1k68 s THR 145 Cb -0.14 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.23 1k68 s THR 145 CO 0.55 -0.03 0.92 -0.76 -0.69 0.00 0.00 174.62 174.60 1k68 s LEU 146 N 1.45 3.66 0.59 4.42 1.43 -1.26 -5.04 118.68 123.92 1k68 s LEU 146 Ca 0.01 1.41 -0.19 0.00 -1.03 0.00 0.00 54.13 54.33 1k68 s LEU 146 Cb -0.18 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 1k68 s LEU 146 CO 0.02 -0.55 1.17 -2.16 0.23 0.00 0.00 176.35 175.06 1k68 s PRO 147 N -4.10 3.06 0.00 1.29 0.04 -1.26 -5.20 135.00 128.83 1k68 s PRO 147 Ca 0.56 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1k68 s PRO 147 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1k68 s PRO 147 CO 0.33 -1.10 0.00 -1.13 0.04 0.00 0.00 177.00 175.14