#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 n ARG 2 N 0.00 1.94 -2.12 0.00 1.74 -1.26 -4.97 116.66 112.00 1k73 n ARG 2 Ca 0.00 0.68 -0.30 0.00 -0.77 0.00 0.00 57.85 57.47 1k73 n ARG 2 Cb 0.00 -2.22 0.01 0.00 -1.02 0.00 0.00 32.46 29.23 1k73 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k73 s SER 3 N -0.34 6.15 0.24 0.55 1.04 -1.26 -4.95 113.70 115.14 1k73 s SER 3 Ca 0.57 1.22 -0.04 0.00 0.48 0.00 0.00 55.95 58.18 1k73 s SER 3 Cb -0.60 -2.33 0.28 0.00 0.10 0.00 0.00 66.02 63.46 1k73 s SER 3 CO 0.61 -0.83 1.75 0.00 0.98 0.00 0.00 173.24 175.75 1k73 h ALA 4 N -0.18 1.06 -0.69 5.32 0.00 -2.03 -2.28 119.26 120.47 1k73 h ALA 4 Ca -0.45 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.32 1k73 h ALA 4 Cb 1.20 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1k73 h ALA 4 CO 0.62 0.60 0.27 1.88 0.00 0.00 0.00 179.25 182.61 1k73 h TYR 5 N 0.84 0.46 -0.18 0.00 0.99 -2.01 -0.74 116.97 116.32 1k73 h TYR 5 Ca 0.17 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.98 1k73 h TYR 5 Cb 0.43 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 1k73 h TYR 5 CO 0.03 0.09 0.44 0.66 -0.00 0.00 0.00 178.16 179.38 1k73 h SER 6 N 0.44 0.00 0.68 3.88 4.64 -1.78 0.16 113.55 121.56 1k73 h SER 6 Ca 0.36 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.44 1k73 h SER 6 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1k73 h SER 6 CO -0.35 0.00 -1.09 1.88 -0.87 0.00 0.00 176.83 176.40 1k73 h TYR 7 N 0.00 0.35 -0.53 4.77 -1.99 -1.23 -1.39 116.97 116.95 1k73 h TYR 7 Ca 0.09 -0.24 -0.11 0.00 2.00 0.00 0.00 58.73 60.47 1k73 h TYR 7 Cb 0.97 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1k73 h TYR 7 CO 0.00 1.14 -0.10 0.82 -0.00 0.00 0.00 178.16 180.03 1k73 h ILE 8 N 0.08 1.27 -0.08 -2.88 2.04 -0.76 -1.55 117.51 115.63 1k73 h ILE 8 Ca -0.08 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1k73 h ILE 8 Cb 1.80 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1k73 h ILE 8 CO 0.17 0.44 0.02 -0.09 0.00 0.00 0.00 178.15 178.69 1k73 h ARG 9 N 0.88 0.14 -0.74 2.37 2.43 -1.49 -2.32 114.38 115.64 1k73 h ARG 9 Ca 0.14 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1k73 h ARG 9 Cb 0.66 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1k73 h ARG 9 CO 0.05 0.34 0.44 1.49 -1.51 0.00 0.00 179.97 180.78 1k73 h GLU 10 N -0.09 0.80 -0.50 0.20 4.57 -1.10 -2.34 114.58 116.13 1k73 h GLU 10 Ca 0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1k73 h GLU 10 Cb 0.27 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1k73 h GLU 10 CO 0.00 0.53 0.23 0.00 -1.18 0.00 0.00 179.01 178.59 1k73 h ALA 11 N 1.36 0.65 0.00 2.92 0.00 -1.17 -2.65 119.26 120.36 1k73 h ALA 11 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1k73 h ALA 11 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1k73 h ALA 11 CO -0.16 0.23 0.00 0.91 0.00 0.00 0.00 179.25 180.23 1k73 n TRP 12 N -4.59 0.00 0.14 0.00 7.02 -0.88 -2.67 117.44 116.46 1k73 n TRP 12 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1k73 n TRP 12 Cb 0.13 -0.34 0.30 0.00 -2.42 0.00 0.00 31.31 28.98 1k73 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1k73 h LYS 13 N 0.00 0.13 -2.23 -0.99 1.57 -1.06 -3.32 116.57 110.67 1k73 h LYS 13 Ca 0.00 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.14 1k73 h LYS 13 Cb 0.21 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.11 1k73 h LYS 13 CO 0.00 0.49 -0.91 0.54 -0.57 0.00 0.00 179.45 179.00 1k73 n ARG 14 N -4.07 1.15 0.00 3.15 1.74 -1.09 -4.98 116.66 112.56 1k73 n ARG 14 Ca -0.02 -3.68 0.00 0.00 -0.77 0.00 0.00 57.85 53.38 1k73 n ARG 14 Cb 0.43 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1k73 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k73 n PRO 15 N 1.63 0.00 -0.26 5.56 -0.04 -1.25 -1.14 135.00 139.50 1k73 n PRO 15 Ca 0.25 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 1k73 n PRO 15 Cb 0.47 -1.55 0.19 0.00 -0.04 0.00 0.00 33.50 32.58 1k73 n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1k73 n LYS 16 N -1.17 2.92 -4.48 0.54 5.02 -1.26 -3.75 118.16 115.97 1k73 n LYS 16 Ca 0.00 -2.27 -0.26 0.00 -2.02 0.00 0.00 58.31 53.76 1k73 n LYS 16 Cb 0.05 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 1k73 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k73 s GLU 17 N -1.43 1.90 1.13 1.97 0.41 -0.29 -4.80 118.70 117.59 1k73 s GLU 17 Ca 0.29 -1.89 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 1k73 s GLU 17 Cb 0.18 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 1k73 s GLU 17 CO 0.15 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 1k73 n GLY 18 N -0.84 0.86 0.21 -1.39 0.00 -1.26 -2.07 105.19 100.70 1k73 n GLY 18 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 1k73 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1k73 h GLN 19 N 0.00 0.56 -0.43 1.61 4.20 -1.98 -2.16 115.11 116.90 1k73 h GLN 19 Ca 0.00 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1k73 h GLN 19 Cb 0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1k73 h GLN 19 CO 0.00 0.37 0.29 0.97 -0.67 0.00 0.00 178.83 179.79 1k73 h ILE 20 N 0.57 0.98 -0.56 2.54 2.10 -1.90 0.83 117.51 122.08 1k73 h ILE 20 Ca 0.22 -0.13 0.02 0.00 1.08 0.00 0.00 64.86 66.05 1k73 h ILE 20 Cb 0.07 0.56 -0.03 0.00 -1.09 0.00 0.00 36.82 36.33 1k73 h ILE 20 CO -0.12 0.07 0.34 0.00 -1.08 0.00 0.00 178.15 177.36 1k73 h ALA 21 N 1.76 0.71 -0.07 0.18 0.00 -0.81 -0.30 119.26 120.74 1k73 h ALA 21 Ca 0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1k73 h ALA 21 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1k73 h ALA 21 CO -0.04 0.07 -0.60 1.49 0.00 0.00 0.00 179.25 180.17 1k73 h GLU 22 N 0.68 0.23 0.17 0.00 4.81 -0.88 -2.49 114.58 117.10 1k73 h GLU 22 Ca 0.22 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1k73 h GLU 22 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1k73 h GLU 22 CO -0.09 0.76 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.80 1k73 h LEU 23 N 0.17 -0.19 -0.13 1.64 3.38 -0.45 -1.91 115.31 117.82 1k73 h LEU 23 Ca -0.01 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1k73 h LEU 23 Cb 1.10 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1k73 h LEU 23 CO 0.09 -0.09 -0.26 0.24 0.09 0.00 0.00 178.44 178.51 1k73 h MET 24 N -0.27 -0.32 -0.85 1.13 2.86 -1.02 0.55 114.93 117.01 1k73 h MET 24 Ca -0.02 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 1k73 h MET 24 Cb 0.21 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 1k73 h MET 24 CO 0.04 -0.21 0.57 2.35 1.06 0.00 0.00 176.91 180.71 1k73 h TRP 25 N -0.33 0.46 0.23 -0.22 7.01 -1.34 -0.30 115.95 121.46 1k73 h TRP 25 Ca 0.10 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1k73 h TRP 25 Cb 0.48 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1k73 h TRP 25 CO -0.36 0.14 -0.11 0.45 -2.79 0.00 0.00 178.44 175.77 1k73 h HIS 26 N 0.36 -0.29 -0.39 2.65 3.86 -0.26 -3.37 115.15 117.72 1k73 h HIS 26 Ca 0.43 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.71 1k73 h HIS 26 Cb 1.11 0.10 -0.09 0.00 1.06 0.00 0.00 27.41 29.59 1k73 h HIS 26 CO -0.00 -0.18 -0.37 0.00 0.86 0.00 0.00 177.93 178.24 1k73 h ARG 27 N -0.81 -0.29 -0.99 2.45 3.08 0.40 -2.30 114.38 115.92 1k73 h ARG 27 Ca -0.03 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.30 1k73 h ARG 27 Cb 0.24 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1k73 h ARG 27 CO 0.05 -0.19 0.68 0.52 -1.07 0.00 0.00 179.97 179.96 1k73 h MET 28 N -0.30 0.21 -0.82 0.04 2.86 -1.26 0.56 114.93 116.22 1k73 h MET 28 Ca 0.15 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1k73 h MET 28 Cb 0.56 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1k73 h MET 28 CO -0.55 0.14 0.54 1.96 1.06 0.00 0.00 176.91 180.06 1k73 h GLN 29 N 0.21 0.98 0.14 1.72 4.20 -1.57 0.38 115.11 121.17 1k73 h GLN 29 Ca 0.51 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.86 1k73 h GLN 29 Cb 1.62 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1k73 h GLN 29 CO -0.13 0.65 -1.44 0.93 -0.67 0.00 0.00 178.83 178.17 1k73 h GLU 30 N 1.01 0.30 -0.49 1.46 5.08 -0.12 -3.29 114.58 118.54 1k73 h GLU 30 Ca 0.33 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1k73 h GLU 30 Cb 0.04 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1k73 h GLU 30 CO -0.10 1.20 0.27 -1.49 -1.00 0.00 0.00 179.01 177.89 1k73 h TRP 31 N 0.08 0.66 0.00 4.33 6.55 -0.14 -1.60 115.95 125.83 1k73 h TRP 31 Ca -0.21 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.61 1k73 h TRP 31 Cb 2.02 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 30.11 1k73 h TRP 31 CO 0.07 0.49 0.02 0.00 -1.05 0.00 0.00 178.44 177.97 1k73 h ARG 32 N 0.65 0.00 -0.01 0.49 3.08 -0.34 0.35 114.38 118.59 1k73 h ARG 32 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1k73 h ARG 32 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1k73 h ARG 32 CO -0.03 0.00 -0.41 0.09 -1.07 0.00 0.00 179.97 178.55 1k73 n ASN 33 N -3.05 1.79 -4.80 7.04 3.02 -0.65 -4.94 115.26 113.67 1k73 n ASN 33 Ca -0.03 -1.37 -0.25 0.00 -0.03 0.00 0.00 54.58 52.91 1k73 n ASN 33 Cb 0.09 0.38 0.08 0.00 -0.61 0.00 0.00 39.78 39.71 1k73 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k73 s GLU 34 N -2.47 1.99 0.00 3.52 2.02 0.11 -5.10 118.70 118.77 1k73 s GLU 34 Ca 0.20 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1k73 s GLU 34 Cb 0.18 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1k73 s GLU 34 CO 0.55 -1.31 0.00 -0.35 0.02 0.00 0.00 175.26 174.17 1k73 n PRO 35 N -2.89 -0.18 -0.09 0.39 -0.04 -1.26 -4.99 135.00 125.93 1k73 n PRO 35 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1k73 n PRO 35 Cb 0.60 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.02 1k73 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k73 h ALA 36 N -2.00 0.40 -3.34 0.55 0.00 -1.92 -3.42 119.26 109.53 1k73 h ALA 36 Ca 0.00 -0.37 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 1k73 h ALA 36 Cb 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.32 1k73 h ALA 36 CO 0.00 0.35 -0.79 0.08 0.00 0.00 0.00 179.25 178.89 1k73 s VAL 37 N -4.44 1.16 -0.15 0.00 1.01 -1.26 -1.53 120.40 115.19 1k73 s VAL 37 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1k73 s VAL 37 Cb 0.08 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1k73 s VAL 37 CO 0.81 0.13 -0.14 -0.69 0.00 0.00 0.00 175.10 175.20 1k73 s VAL 38 N 1.61 1.60 0.20 2.92 1.01 -0.51 -4.98 120.40 122.26 1k73 s VAL 38 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1k73 s VAL 38 Cb -0.15 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 1k73 s VAL 38 CO -0.08 0.45 1.26 -0.60 0.00 0.00 0.00 175.10 176.13 1k73 s ARG 39 N 1.47 4.44 -0.04 2.72 3.52 -1.26 -1.22 118.95 128.58 1k73 s ARG 39 Ca 0.05 1.98 0.05 0.00 -0.13 0.00 0.00 55.73 57.68 1k73 s ARG 39 Cb -0.13 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1k73 s ARG 39 CO -0.11 -0.17 -0.20 0.96 -0.81 0.00 0.00 175.30 174.97 1k73 s ILE 40 N -0.04 1.64 0.26 4.11 -4.36 -0.79 -4.93 121.20 117.09 1k73 s ILE 40 Ca 0.54 -0.85 -0.02 0.00 -0.26 0.00 0.00 60.65 60.07 1k73 s ILE 40 Cb -0.35 -1.39 0.25 0.00 1.25 0.00 0.00 42.46 42.22 1k73 s ILE 40 CO 0.38 0.47 1.83 -0.33 0.24 0.00 0.00 174.94 177.53 1k73 h GLU 41 N 6.04 0.90 -5.07 0.37 5.08 -1.95 -3.39 114.58 116.55 1k73 h GLU 41 Ca -0.34 -0.05 -0.40 0.00 -1.00 0.00 0.00 59.36 57.56 1k73 h GLU 41 Cb 1.17 -0.20 -0.25 0.00 0.50 0.00 0.00 28.75 29.96 1k73 h GLU 41 CO 0.48 0.59 -0.78 1.03 -1.00 0.00 0.00 179.01 179.33 1k73 s ARG 42 N -6.00 0.81 0.22 2.33 1.81 -1.26 -4.95 118.95 111.91 1k73 s ARG 42 Ca -0.12 -0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 52.91 1k73 s ARG 42 Cb 0.21 -0.78 -0.10 0.00 -0.45 0.00 0.00 34.95 33.83 1k73 s ARG 42 CO 0.80 0.19 1.40 -2.14 -0.68 0.00 0.00 175.30 174.87 1k73 s PRO 43 N -1.05 4.30 0.35 3.54 0.02 -1.26 -4.93 135.00 135.97 1k73 s PRO 43 Ca -0.00 2.22 0.12 0.00 0.02 0.00 0.00 61.00 63.36 1k73 s PRO 43 Cb -0.07 -3.15 0.63 0.00 0.02 0.00 0.00 34.50 31.93 1k73 s PRO 43 CO 0.01 -0.38 1.78 1.15 -0.33 0.00 0.00 177.00 179.22 1k73 h THR 44 N 3.67 1.31 -2.85 0.99 2.02 -2.00 -3.28 112.91 112.77 1k73 h THR 44 Ca -0.45 -1.47 -0.62 0.00 0.77 0.00 0.00 66.41 64.63 1k73 h THR 44 Cb 1.22 1.79 -0.41 0.00 -1.74 0.00 0.00 68.15 69.00 1k73 h THR 44 CO 0.79 0.42 -0.52 0.54 0.37 0.00 0.00 175.52 177.12 1k73 n ARG 45 N -4.03 2.13 -0.30 6.66 1.74 -1.26 -4.97 116.66 116.63 1k73 n ARG 45 Ca -0.02 -4.55 0.13 0.00 -0.77 0.00 0.00 57.85 52.64 1k73 n ARG 45 Cb 0.46 -2.29 0.30 0.00 -1.02 0.00 0.00 32.46 29.90 1k73 n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1k73 h LEU 46 N 5.08 0.28 -0.12 0.55 6.46 -1.98 -0.83 115.31 124.75 1k73 h LEU 46 Ca 0.17 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1k73 h LEU 46 Cb 0.73 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1k73 h LEU 46 CO 0.77 -0.01 0.07 -2.24 -0.62 0.00 0.00 178.44 176.41 1k73 h ASP 47 N 0.38 0.15 0.16 1.25 2.03 -1.93 -1.78 116.42 116.68 1k73 h ASP 47 Ca 0.55 -0.08 0.02 0.00 -0.73 0.00 0.00 57.03 56.78 1k73 h ASP 47 Cb 1.03 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.45 1k73 h ASP 47 CO -0.53 0.19 -0.40 0.03 -1.03 0.00 0.00 179.24 177.50 1k73 h ARG 48 N 0.11 -0.63 0.30 4.15 2.47 -1.59 0.24 114.38 119.42 1k73 h ARG 48 Ca 0.04 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1k73 h ARG 48 Cb 0.07 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1k73 h ARG 48 CO -0.01 -0.42 -0.50 0.00 0.56 0.00 0.00 179.97 179.60 1k73 h ALA 49 N -0.16 -1.06 -0.98 0.04 0.00 -1.14 -0.09 119.26 115.86 1k73 h ALA 49 Ca 0.02 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1k73 h ALA 49 Cb 0.67 0.80 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 1k73 h ALA 49 CO -0.21 -1.14 0.62 0.00 0.00 0.00 0.00 179.25 178.53 1k73 h ARG 50 N -0.84 0.86 -0.04 0.00 3.08 -1.32 0.15 114.38 116.27 1k73 h ARG 50 Ca -0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1k73 h ARG 50 Cb 0.78 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1k73 h ARG 50 CO -0.17 0.57 -0.19 1.03 -1.07 0.00 0.00 179.97 180.14 1k73 h SER 51 N 0.89 0.05 1.15 7.04 0.87 -0.26 -2.35 113.55 120.93 1k73 h SER 51 Ca 0.51 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1k73 h SER 51 Cb 0.62 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1k73 h SER 51 CO -0.28 0.25 -0.35 0.18 -0.53 0.00 0.00 176.83 176.10 1k73 n LEU 52 N -4.29 0.76 0.00 2.23 4.77 0.21 -4.93 117.00 115.75 1k73 n LEU 52 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1k73 n LEU 52 Cb 0.27 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1k73 n LEU 52 CO 0.37 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1k73 n GLY 53 N 1.32 0.45 3.76 -0.72 0.00 -0.13 -4.80 105.19 105.07 1k73 n GLY 53 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1k73 n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k73 s TYR 54 N -1.03 2.37 -0.05 1.61 5.04 0.28 -4.92 117.35 120.65 1k73 s TYR 54 Ca 0.00 1.29 -0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1k73 s TYR 54 Cb 0.00 -3.90 0.02 0.00 0.35 0.00 0.00 41.96 38.43 1k73 s TYR 54 CO 0.00 -2.99 0.12 0.15 -1.34 0.00 0.00 175.55 171.49 1k73 s LYS 55 N -2.62 0.11 -1.16 4.97 1.02 -1.26 -4.23 119.74 116.57 1k73 s LYS 55 Ca 0.65 0.25 -0.22 0.00 0.02 0.00 0.00 55.97 56.68 1k73 s LYS 55 Cb -0.43 -0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.80 1k73 s LYS 55 CO 0.54 -0.09 1.84 0.00 -0.92 0.00 0.00 175.35 176.72 1k73 s ALA 56 N 0.60 2.30 0.14 5.17 0.00 -1.26 -4.80 121.76 123.90 1k73 s ALA 56 Ca -0.04 -2.29 -0.08 0.00 0.00 0.00 0.00 51.96 49.55 1k73 s ALA 56 Cb -0.06 -4.64 -0.01 0.00 0.00 0.00 0.00 23.12 18.41 1k73 s ALA 56 CO -0.03 -4.48 0.22 0.21 0.00 0.00 0.00 175.76 171.69 1k73 s LYS 57 N 5.77 1.03 0.27 0.00 2.20 -1.26 -5.13 119.74 122.62 1k73 s LYS 57 Ca 0.62 -1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1k73 s LYS 57 Cb -0.00 0.35 -0.09 0.00 -1.51 0.00 0.00 37.83 36.57 1k73 s LYS 57 CO 0.08 -0.35 1.19 -0.65 -0.36 0.00 0.00 175.35 175.25 1k73 s GLN 58 N -3.95 4.52 0.00 4.03 -0.21 -1.26 -2.87 119.66 119.92 1k73 s GLN 58 Ca 0.15 1.94 0.00 0.00 0.02 0.00 0.00 55.36 57.47 1k73 s GLN 58 Cb 0.04 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1k73 s GLN 58 CO -0.03 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 1k73 n GLY 59 N 1.34 0.75 3.43 3.09 0.00 -1.26 -4.58 105.19 107.96 1k73 n GLY 59 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1k73 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k73 s ILE 60 N -2.74 3.67 0.08 -0.61 1.01 -1.14 -0.50 121.20 120.97 1k73 s ILE 60 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1k73 s ILE 60 Cb 0.00 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1k73 s ILE 60 CO 0.00 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.59 1k73 s ILE 61 N 0.68 1.59 0.04 2.92 1.09 -0.04 -4.87 121.20 122.61 1k73 s ILE 61 Ca -0.03 -1.39 0.04 0.00 -1.10 0.00 0.00 60.65 58.18 1k73 s ILE 61 Cb -0.15 -1.44 -0.02 0.00 -1.06 0.00 0.00 42.46 39.80 1k73 s ILE 61 CO 0.02 -0.01 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.04 1k73 s VAL 62 N -1.06 0.98 -0.16 2.92 1.01 -1.26 0.11 120.40 122.95 1k73 s VAL 62 Ca 0.05 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1k73 s VAL 62 Cb -0.10 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1k73 s VAL 62 CO 0.03 -0.05 0.46 -0.69 0.00 0.00 0.00 175.10 174.85 1k73 s VAL 63 N -0.88 0.00 -0.17 2.92 1.01 -0.47 -1.88 120.40 120.92 1k73 s VAL 63 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1k73 s VAL 63 Cb -0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1k73 s VAL 63 CO 0.01 -0.02 0.22 -0.60 0.00 0.00 0.00 175.10 174.72 1k73 s ARG 64 N 0.11 4.17 -0.07 2.72 3.52 -0.36 0.52 118.95 129.57 1k73 s ARG 64 Ca -0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1k73 s ARG 64 Cb -0.03 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1k73 s ARG 64 CO 0.01 0.31 -0.20 0.08 -0.81 0.00 0.00 175.30 174.69 1k73 s VAL 65 N 0.30 2.51 -0.15 7.11 1.01 0.38 -1.42 120.40 130.14 1k73 s VAL 65 Ca 0.13 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1k73 s VAL 65 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1k73 s VAL 65 CO 0.02 0.56 0.06 0.00 0.00 0.00 0.00 175.10 175.74 1k73 s ALA 66 N -0.16 3.45 -0.00 5.51 0.00 -0.58 -2.34 121.76 127.63 1k73 s ALA 66 Ca -0.02 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1k73 s ALA 66 Cb -0.14 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 1k73 s ALA 66 CO 0.04 0.35 -0.08 0.42 0.00 0.00 0.00 175.76 176.49 1k73 s ILE 67 N -0.15 0.62 0.52 0.00 -1.09 -0.63 -4.89 121.20 115.57 1k73 s ILE 67 Ca 0.07 -0.35 -0.21 0.00 -2.23 0.00 0.00 60.65 57.93 1k73 s ILE 67 Cb -0.12 -0.53 -0.06 0.00 -1.58 0.00 0.00 42.46 40.17 1k73 s ILE 67 CO 0.01 0.16 1.15 0.00 -1.23 0.00 0.00 174.94 175.04 1k73 s ARG 68 N -0.22 3.48 0.64 2.79 3.03 -1.26 -1.35 118.95 126.06 1k73 s ARG 68 Ca 0.03 1.69 -0.06 0.00 2.03 0.00 0.00 55.73 59.42 1k73 s ARG 68 Cb -0.03 -2.15 0.03 0.00 -1.03 0.00 0.00 34.95 31.78 1k73 s ARG 68 CO -0.00 -0.76 0.94 0.15 -1.13 0.00 0.00 175.30 174.49 1k73 s LYS 69 N -3.07 2.55 0.00 3.89 1.02 0.14 -4.82 119.74 119.45 1k73 s LYS 69 Ca 0.70 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1k73 s LYS 69 Cb -0.26 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1k73 s LYS 69 CO 0.30 -0.95 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1k73 n GLY 70 N -2.71 -3.06 1.92 -3.33 0.00 -1.26 -5.01 105.19 91.73 1k73 n GLY 70 Ca 0.06 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 1k73 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k73 n SER 71 N 0.00 -0.90 -4.74 1.61 3.41 -1.26 -4.95 113.62 106.78 1k73 n SER 71 Ca 0.00 -1.02 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 1k73 n SER 71 Cb 0.00 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.40 1k73 n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k73 s SER 72 N -3.26 6.56 -0.98 4.04 0.15 -1.07 -4.90 113.70 114.23 1k73 s SER 72 Ca 0.38 2.75 -0.19 0.00 0.70 0.00 0.00 55.95 59.59 1k73 s SER 72 Cb -0.03 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.78 1k73 s SER 72 CO 0.28 -0.78 1.24 -0.13 1.20 0.00 0.00 173.24 175.05 1k73 s ARG 73 N -0.25 3.65 -0.04 5.44 3.00 -1.26 -4.94 118.95 124.54 1k73 s ARG 73 Ca 0.62 -1.70 0.03 0.00 0.00 0.00 0.00 55.73 54.67 1k73 s ARG 73 Cb -0.44 -5.04 -0.03 0.00 0.00 0.00 0.00 34.95 29.45 1k73 s ARG 73 CO 0.43 -1.88 -0.12 0.50 0.00 0.00 0.00 175.30 174.24 1k73 s ARG 74 N 3.11 2.54 0.11 3.54 3.52 -1.26 -5.12 118.95 125.39 1k73 s ARG 74 Ca 0.37 -0.68 -0.24 0.00 -0.13 0.00 0.00 55.73 55.05 1k73 s ARG 74 Cb -0.03 -2.43 -0.07 0.00 -1.56 0.00 0.00 34.95 30.86 1k73 s ARG 74 CO -0.08 0.63 0.73 0.99 -0.81 0.00 0.00 175.30 176.76 1k73 s THR 75 N -0.78 4.54 0.57 4.11 2.01 -1.26 -4.97 115.64 119.85 1k73 s THR 75 Ca 0.12 1.59 -0.17 0.00 0.31 0.00 0.00 61.69 63.54 1k73 s THR 75 Cb -0.11 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1k73 s THR 75 CO 0.02 0.48 1.07 -0.60 -0.69 0.00 0.00 174.62 174.90 1k73 s ARG 76 N -0.82 3.35 0.42 4.92 3.52 -1.26 -4.97 118.95 124.11 1k73 s ARG 76 Ca 0.35 1.34 -0.26 0.00 -0.13 0.00 0.00 55.73 57.03 1k73 s ARG 76 Cb -0.22 -2.03 -0.10 0.00 -1.56 0.00 0.00 34.95 31.05 1k73 s ARG 76 CO 0.24 -0.80 1.34 1.97 -0.81 0.00 0.00 175.30 177.24 1k73 n PHE 77 N -1.71 2.40 -0.16 5.12 1.16 -1.26 -4.95 117.46 118.06 1k73 n PHE 77 Ca 0.10 0.48 0.07 0.00 -1.87 0.00 0.00 57.45 56.23 1k73 n PHE 77 Cb 0.52 -2.42 0.18 0.00 -1.61 0.00 0.00 39.48 36.15 1k73 n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1k73 n ASN 78 N 0.19 3.09 -3.14 5.98 4.13 -1.26 -5.01 115.26 119.24 1k73 n ASN 78 Ca 0.05 -1.97 -0.14 0.00 1.68 0.00 0.00 54.58 54.20 1k73 n ASN 78 Cb 0.40 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.34 1k73 n ASN 78 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1k73 s LYS 79 N -1.01 1.99 0.24 3.52 -0.14 -1.26 -5.14 119.74 117.94 1k73 s LYS 79 Ca 0.28 -1.75 -0.31 0.00 -1.36 0.00 0.00 55.97 52.84 1k73 s LYS 79 Cb 0.15 0.47 -0.14 0.00 -1.68 0.00 0.00 37.83 36.63 1k73 s LYS 79 CO 0.20 -0.84 1.26 0.41 -0.76 0.00 0.00 175.35 175.62 1k73 n GLY 80 N -0.58 0.39 3.24 -3.33 0.00 -1.26 -5.01 105.19 98.65 1k73 n GLY 80 Ca -0.00 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 1k73 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k73 s ARG 81 N -0.79 0.49 0.45 1.61 6.06 -1.26 -5.13 118.95 120.38 1k73 s ARG 81 Ca 0.66 0.27 -0.18 0.00 -2.50 0.00 0.00 55.73 53.98 1k73 s ARG 81 Cb -0.70 0.23 -0.09 0.00 0.06 0.00 0.00 34.95 34.45 1k73 s ARG 81 CO 0.54 -0.09 0.93 -0.98 -2.50 0.00 0.00 175.30 173.20 1k73 s ARG 82 N -0.29 4.06 0.30 5.12 1.70 -1.26 -4.82 118.95 123.76 1k73 s ARG 82 Ca -0.04 0.97 0.05 0.00 -0.47 0.00 0.00 55.73 56.23 1k73 s ARG 82 Cb -0.03 -2.20 0.81 0.00 -0.57 0.00 0.00 34.95 32.96 1k73 s ARG 82 CO 0.02 -0.11 1.49 -1.13 -1.08 0.00 0.00 175.30 174.48 1k73 n SER 83 N -1.04 -0.04 0.07 -2.89 3.41 -1.26 0.49 113.62 112.35 1k73 n SER 83 Ca 0.06 1.61 0.20 0.00 -0.26 0.00 0.00 58.87 60.48 1k73 n SER 83 Cb 0.54 -0.62 0.74 0.00 -0.26 0.00 0.00 64.21 64.62 1k73 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k73 h LYS 84 N 0.00 0.00 -0.36 4.33 3.11 -2.04 -1.71 116.57 119.90 1k73 h LYS 84 Ca 0.61 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.45 1k73 h LYS 84 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 1k73 h LYS 84 CO -0.87 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 176.31 1k73 n ARG 85 N -3.96 3.01 -0.01 1.90 5.12 0.18 -4.48 116.66 118.43 1k73 n ARG 85 Ca 0.08 -2.45 0.14 0.00 -1.93 0.00 0.00 57.85 53.69 1k73 n ARG 85 Cb 0.58 -1.56 0.53 0.00 -1.16 0.00 0.00 32.46 30.86 1k73 n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1k73 n MET 86 N 0.27 1.65 -1.59 5.56 2.81 -0.64 -4.86 117.12 120.31 1k73 n MET 86 Ca 0.17 -0.94 -0.37 0.00 -1.81 0.00 0.00 57.70 54.75 1k73 n MET 86 Cb 0.65 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.75 1k73 n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k73 n MET 87 N 0.14 0.83 0.17 0.03 -0.00 -1.26 -4.83 117.12 112.21 1k73 n MET 87 Ca 0.19 0.33 0.00 0.00 -0.00 0.00 0.00 57.70 58.22 1k73 n MET 87 Cb 0.34 -2.22 0.00 0.00 -0.00 0.00 0.00 33.22 31.34 1k73 n MET 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1k73 n VAL 88 N -1.93 0.00 -0.06 3.17 0.31 -1.26 -4.84 118.33 113.72 1k73 n VAL 88 Ca 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 1k73 n VAL 88 Cb 0.48 -0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 33.07 1k73 n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1k73 h ASN 89 N 0.00 0.19 0.20 4.52 2.35 -1.93 -3.24 115.58 117.68 1k73 h ASN 89 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1k73 h ASN 89 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1k73 h ASN 89 CO 0.00 0.15 -0.11 0.54 -1.65 0.00 0.00 177.43 176.36 1k73 n ARG 90 N -4.97 0.99 -2.38 0.81 1.74 -1.26 -4.84 116.66 106.75 1k73 n ARG 90 Ca -0.02 -0.45 -0.41 0.00 -0.77 0.00 0.00 57.85 56.19 1k73 n ARG 90 Cb 0.05 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1k73 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k73 s ILE 91 N -2.32 3.68 0.11 0.55 1.01 -1.22 -4.99 121.20 118.01 1k73 s ILE 91 Ca 0.32 1.35 0.08 0.00 0.00 0.00 0.00 60.65 62.40 1k73 s ILE 91 Cb 0.20 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1k73 s ILE 91 CO 0.44 0.19 -0.20 0.42 0.00 0.00 0.00 174.94 175.79 1k73 s THR 92 N 0.24 1.66 0.68 2.92 -4.23 -1.26 -2.60 115.64 113.05 1k73 s THR 92 Ca 0.55 -1.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.34 1k73 s THR 92 Cb -0.32 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 71.98 1k73 s THR 92 CO 0.34 -0.12 1.10 -0.13 -0.54 0.00 0.00 174.62 175.27 1k73 s ARG 93 N -2.04 2.76 0.00 3.99 1.81 -1.26 -4.85 118.95 119.36 1k73 s ARG 93 Ca 0.07 1.30 0.28 0.00 -1.72 0.00 0.00 55.73 55.66 1k73 s ARG 93 Cb -0.09 -1.95 1.08 0.00 -0.45 0.00 0.00 34.95 33.54 1k73 s ARG 93 CO 0.04 -1.27 1.77 1.63 -0.68 0.00 0.00 175.30 176.80 1k73 n LYS 94 N -2.64 0.60 -4.12 3.54 5.02 -1.26 -4.76 118.16 114.55 1k73 n LYS 94 Ca 0.10 -0.24 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 1k73 n LYS 94 Cb 0.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.91 1k73 n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k73 s LYS 95 N -2.56 3.59 0.63 1.97 2.20 -1.26 -5.00 119.74 119.30 1k73 s LYS 95 Ca 0.25 -0.54 -0.16 0.00 -0.36 0.00 0.00 55.97 55.17 1k73 s LYS 95 Cb 0.20 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1k73 s LYS 95 CO 0.51 0.02 1.11 0.54 -0.36 0.00 0.00 175.35 177.17 1k73 s ASN 96 N 0.95 5.32 0.40 1.43 4.22 -1.26 -4.84 114.94 121.16 1k73 s ASN 96 Ca 0.01 2.02 0.17 0.00 -2.14 0.00 0.00 52.86 52.93 1k73 s ASN 96 Cb -0.14 -2.56 1.07 0.00 1.28 0.00 0.00 41.25 40.90 1k73 s ASN 96 CO 0.02 -1.49 1.82 0.40 -2.04 0.00 0.00 177.10 175.80 1k73 h ILE 97 N 0.35 0.62 -0.55 0.54 2.04 -1.97 0.32 117.51 118.87 1k73 h ILE 97 Ca -0.48 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1k73 h ILE 97 Cb 1.25 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1k73 h ILE 97 CO 0.55 0.08 0.18 -0.61 0.00 0.00 0.00 178.15 178.35 1k73 h GLN 98 N 0.43 0.81 -0.17 2.37 4.15 -1.99 -0.12 115.11 120.59 1k73 h GLN 98 Ca 0.52 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.66 1k73 h GLN 98 Cb 1.29 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1k73 h GLN 98 CO -0.23 0.70 -0.52 -0.09 -1.93 0.00 0.00 178.83 176.76 1k73 h ARG 99 N 0.79 0.48 -0.62 1.69 2.43 -0.73 -1.55 114.38 116.87 1k73 h ARG 99 Ca 0.18 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1k73 h ARG 99 Cb 0.21 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1k73 h ARG 99 CO -0.01 0.88 0.23 0.82 -1.51 0.00 0.00 179.97 180.39 1k73 h ILE 100 N 0.38 1.24 -0.21 1.20 2.04 -0.68 -2.34 117.51 119.12 1k73 h ILE 100 Ca 0.01 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1k73 h ILE 100 Cb 1.04 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1k73 h ILE 100 CO 0.09 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.59 1k73 h ALA 101 N 1.09 0.22 -0.79 1.87 0.00 -0.76 -0.64 119.26 120.24 1k73 h ALA 101 Ca 0.21 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1k73 h ALA 101 Cb 0.23 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1k73 h ALA 101 CO -0.01 -0.38 0.46 0.93 0.00 0.00 0.00 179.25 180.25 1k73 h GLU 102 N 0.14 0.79 -0.35 0.00 5.08 -0.94 -1.16 114.58 118.14 1k73 h GLU 102 Ca 0.09 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1k73 h GLU 102 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1k73 h GLU 102 CO -0.12 0.52 0.07 0.93 -1.00 0.00 0.00 179.01 179.41 1k73 h GLU 103 N 0.82 0.58 -0.81 2.33 5.08 -0.90 -1.13 114.58 120.55 1k73 h GLU 103 Ca 0.36 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1k73 h GLU 103 Cb 0.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1k73 h GLU 103 CO -0.21 0.65 0.42 0.00 -1.00 0.00 0.00 179.01 178.87 1k73 h ARG 104 N 0.42 1.15 -0.17 2.33 3.08 -0.60 -0.09 114.38 120.51 1k73 h ARG 104 Ca 0.11 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1k73 h ARG 104 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1k73 h ARG 104 CO 0.01 0.86 0.03 0.00 -1.07 0.00 0.00 179.97 179.80 1k73 h ALA 105 N 1.22 0.23 -0.79 0.04 0.00 -1.07 -2.68 119.26 116.21 1k73 h ALA 105 Ca 0.28 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1k73 h ALA 105 Cb 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1k73 h ALA 105 CO -0.04 -0.12 0.44 -0.97 0.00 0.00 0.00 179.25 178.56 1k73 h ASN 106 N 0.07 0.63 -0.13 0.00 -0.73 -0.72 -0.33 115.58 114.37 1k73 h ASN 106 Ca 0.05 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 1k73 h ASN 106 Cb 0.29 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1k73 h ASN 106 CO 0.00 0.37 -0.00 0.03 -0.37 0.00 0.00 177.43 177.46 1k73 h ARG 107 N 0.75 0.35 -0.07 6.67 3.08 -0.87 -1.40 114.38 122.89 1k73 h ARG 107 Ca 0.38 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 1k73 h ARG 107 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1k73 h ARG 107 CO -0.24 0.38 -0.29 0.87 -1.07 0.00 0.00 179.97 179.62 1k73 h LYS 108 N 0.34 0.12 -2.24 0.04 1.79 -0.74 -3.21 116.57 112.67 1k73 h LYS 108 Ca 0.08 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.89 1k73 h LYS 108 Cb 0.24 -0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 30.47 1k73 h LYS 108 CO 0.01 0.41 -0.49 1.19 -1.08 0.00 0.00 179.45 179.49 1k73 n PHE 109 N -4.16 3.56 -0.52 -1.35 3.01 -0.54 -4.96 117.46 112.51 1k73 n PHE 109 Ca -0.02 -4.04 0.43 0.00 1.01 0.00 0.00 57.45 54.83 1k73 n PHE 109 Cb 0.37 -0.61 0.71 0.00 -0.01 0.00 0.00 39.48 39.93 1k73 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1k73 h PRO 110 N 4.25 0.01 0.00 -1.08 0.13 -1.54 0.55 132.00 134.33 1k73 h PRO 110 Ca 0.20 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1k73 h PRO 110 Cb 0.65 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1k73 h PRO 110 CO 0.88 0.01 -0.36 -2.95 -0.23 0.00 0.00 178.00 175.35 1k73 h ASN 111 N 0.01 0.00 -3.15 1.44 -1.07 -1.93 -3.47 115.58 107.42 1k73 h ASN 111 Ca 0.89 -0.02 -0.48 0.00 0.07 0.00 0.00 56.30 56.76 1k73 h ASN 111 Cb 3.01 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 39.29 1k73 h ASN 111 CO -0.37 0.01 -0.03 -0.76 0.07 0.00 0.00 177.43 176.35 1k73 s LEU 112 N -5.55 3.76 0.02 6.14 1.43 0.18 -4.52 118.68 120.13 1k73 s LEU 112 Ca 0.05 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 1k73 s LEU 112 Cb 0.08 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1k73 s LEU 112 CO 0.70 -0.52 -0.24 -0.13 0.23 0.00 0.00 176.35 176.39 1k73 s ARG 113 N -4.56 1.78 0.09 1.70 0.52 -0.65 -4.91 118.95 112.93 1k73 s ARG 113 Ca 0.45 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 1k73 s ARG 113 Cb -0.10 -1.84 -0.06 0.00 0.52 0.00 0.00 34.95 33.47 1k73 s ARG 113 CO 0.40 0.49 1.13 0.08 0.02 0.00 0.00 175.30 177.42 1k73 s VAL 114 N -0.70 4.12 -0.25 3.52 1.01 -1.26 -0.76 120.40 126.08 1k73 s VAL 114 Ca 0.10 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 1k73 s VAL 114 Cb -0.09 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 1k73 s VAL 114 CO 0.01 0.18 -0.25 -0.11 0.00 0.00 0.00 175.10 174.93 1k73 n LEU 115 N 3.37 2.67 -3.91 3.92 -0.00 0.65 -4.81 117.00 118.89 1k73 n LEU 115 Ca 0.06 -0.01 0.04 0.00 -0.00 0.00 0.00 56.01 56.10 1k73 n LEU 115 Cb 0.47 -0.83 0.01 0.00 -0.00 0.00 0.00 43.42 43.06 1k73 n LEU 115 CO 0.54 0.81 1.15 0.21 -0.00 0.00 0.00 177.39 180.11 1k73 s ASN 116 N -6.65 -0.00 0.21 1.96 3.84 -1.15 -4.69 114.94 108.45 1k73 s ASN 116 Ca -0.34 -0.09 -0.21 0.00 0.21 0.00 0.00 52.86 52.42 1k73 s ASN 116 Cb 0.10 0.07 0.04 0.00 -0.55 0.00 0.00 41.25 40.92 1k73 s ASN 116 CO 0.54 -0.14 0.62 -0.94 -2.79 0.00 0.00 177.10 174.39 1k73 s SER 117 N -3.69 -0.40 0.15 -4.21 1.04 -1.26 -0.38 113.70 104.95 1k73 s SER 117 Ca 0.27 -0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 1k73 s SER 117 Cb 0.01 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.79 1k73 s SER 117 CO -0.03 -1.11 0.39 -0.72 0.98 0.00 0.00 173.24 172.75 1k73 s TYR 118 N -3.83 0.01 0.33 5.02 -0.85 -0.76 -4.98 117.35 112.28 1k73 s TYR 118 Ca 0.06 -0.36 -0.22 0.00 -0.52 0.00 0.00 57.07 56.03 1k73 s TYR 118 Cb -0.03 0.19 -0.10 0.00 0.38 0.00 0.00 41.96 42.40 1k73 s TYR 118 CO -0.04 -0.75 0.87 0.45 -1.52 0.00 0.00 175.55 174.55 1k73 s SER 119 N -2.87 7.11 -0.24 -0.18 0.15 -1.26 -0.46 113.70 115.95 1k73 s SER 119 Ca 0.08 1.64 0.16 0.00 0.70 0.00 0.00 55.95 58.53 1k73 s SER 119 Cb 0.02 -2.51 0.47 0.00 -1.71 0.00 0.00 66.02 62.29 1k73 s SER 119 CO -0.06 -0.13 1.16 1.33 1.20 0.00 0.00 173.24 176.74 1k73 n VAL 120 N 0.20 1.74 -1.40 4.45 0.24 0.01 -4.83 118.33 118.74 1k73 n VAL 120 Ca 0.02 -3.26 0.00 0.00 -2.04 0.00 0.00 64.34 59.06 1k73 n VAL 120 Cb 0.52 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1k73 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k73 n GLY 121 N -0.58 -2.18 3.51 7.63 0.00 -1.25 -4.77 105.19 107.56 1k73 n GLY 121 Ca 0.23 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 1k73 n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k73 s GLU 122 N -0.19 0.77 0.00 1.61 -1.05 -1.26 -1.32 118.70 117.25 1k73 s GLU 122 Ca 0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1k73 s GLU 122 Cb 0.00 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1k73 s GLU 122 CO 0.00 -0.33 0.00 -0.40 0.95 0.00 0.00 175.26 175.48 1k73 n ASP 123 N -0.16 0.17 0.14 0.83 5.68 -1.12 -4.99 116.55 117.10 1k73 n ASP 123 Ca -0.08 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.24 1k73 n ASP 123 Cb 0.61 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.03 1k73 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1k73 h GLY 124 N 0.00 0.21 0.00 6.12 0.00 -2.04 -3.37 103.07 103.99 1k73 h GLY 124 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1k73 h GLY 124 CO 0.00 0.11 -0.05 -0.96 0.00 0.00 0.00 176.54 175.64 1k73 n ARG 125 N -4.33 3.17 -3.63 4.80 1.85 -1.26 -4.92 116.66 112.34 1k73 n ARG 125 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.63 1k73 n ARG 125 Cb 0.23 -0.28 -0.03 0.00 -1.05 0.00 0.00 32.46 31.32 1k73 n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1k73 s HIS 126 N -0.50 2.62 -0.12 2.89 3.76 -1.26 0.26 115.29 122.94 1k73 s HIS 126 Ca 0.00 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.31 1k73 s HIS 126 Cb 0.00 -2.14 0.04 0.00 1.11 0.00 0.00 32.58 31.59 1k73 s HIS 126 CO 0.00 -0.13 0.29 0.15 -0.85 0.00 0.00 174.74 174.20 1k73 s LYS 127 N -4.12 0.29 -0.03 1.40 1.02 -0.46 -2.79 119.74 115.05 1k73 s LYS 127 Ca 0.47 0.52 0.06 0.00 0.02 0.00 0.00 55.97 57.04 1k73 s LYS 127 Cb -0.02 0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.28 1k73 s LYS 127 CO 0.27 -0.11 -0.22 -1.58 -0.92 0.00 0.00 175.35 172.79 1k73 s TRP 128 N 0.82 2.04 0.02 3.18 0.51 -0.43 -1.61 118.94 123.47 1k73 s TRP 128 Ca -0.05 -0.45 0.02 0.00 -2.12 0.00 0.00 56.10 53.49 1k73 s TRP 128 Cb -0.07 -1.33 -0.02 0.00 -0.81 0.00 0.00 33.47 31.25 1k73 s TRP 128 CO -0.05 -0.08 -0.06 -1.01 -0.51 0.00 0.00 176.95 175.23 1k73 s HIS 129 N -0.38 0.54 -0.21 -1.98 3.76 -0.99 -0.81 115.29 115.23 1k73 s HIS 129 Ca 0.05 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 1k73 s HIS 129 Cb -0.10 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1k73 s HIS 129 CO 0.00 -0.06 0.06 -1.21 -0.85 0.00 0.00 174.74 172.69 1k73 s GLU 130 N -0.94 3.84 -0.12 1.40 2.02 0.40 -0.47 118.70 124.82 1k73 s GLU 130 Ca -0.05 -0.40 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 1k73 s GLU 130 Cb -0.06 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1k73 s GLU 130 CO 0.00 0.09 0.07 0.08 0.02 0.00 0.00 175.26 175.52 1k73 s VAL 131 N 0.87 4.87 -0.27 2.63 1.01 0.18 -1.83 120.40 127.86 1k73 s VAL 131 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1k73 s VAL 131 Cb -0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1k73 s VAL 131 CO 0.02 0.58 0.16 -0.63 0.00 0.00 0.00 175.10 175.24 1k73 s ILE 132 N -0.70 5.10 0.30 2.22 1.01 0.49 -1.37 121.20 128.24 1k73 s ILE 132 Ca 0.12 0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.98 1k73 s ILE 132 Cb -0.12 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1k73 s ILE 132 CO 0.03 0.28 -0.13 -0.76 0.00 0.00 0.00 174.94 174.35 1k73 s LEU 133 N 1.67 2.75 -0.01 2.97 1.02 0.12 -0.25 118.68 126.94 1k73 s LEU 133 Ca 0.07 -1.00 0.02 0.00 0.02 0.00 0.00 54.13 53.24 1k73 s LEU 133 Cb -0.16 -1.20 -0.00 0.00 0.02 0.00 0.00 46.19 44.85 1k73 s LEU 133 CO 0.09 -0.04 -0.06 -0.63 0.02 0.00 0.00 176.35 175.73 1k73 s ILE 134 N -2.50 0.50 -0.60 -0.59 -1.09 0.06 -0.86 121.20 116.12 1k73 s ILE 134 Ca 0.31 -0.25 -0.22 0.00 -2.23 0.00 0.00 60.65 58.26 1k73 s ILE 134 Cb -0.03 -0.44 0.07 0.00 -1.58 0.00 0.00 42.46 40.47 1k73 s ILE 134 CO 0.16 0.15 0.86 -0.62 -1.23 0.00 0.00 174.94 174.27 1k73 s ASP 135 N -0.01 6.22 0.00 3.58 -1.08 0.35 -1.63 116.67 124.10 1k73 s ASP 135 Ca 0.01 -0.91 0.17 0.00 -0.52 0.00 0.00 52.55 51.29 1k73 s ASP 135 Cb -0.04 -2.38 0.92 0.00 -1.46 0.00 0.00 42.92 39.95 1k73 s ASP 135 CO -0.00 -1.25 1.45 -0.81 0.52 0.00 0.00 175.17 175.08 1k73 n PRO 136 N 7.18 0.38 -0.00 4.34 -0.04 -1.26 -2.81 135.00 142.78 1k73 n PRO 136 Ca -0.04 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1k73 n PRO 136 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1k73 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k73 n ASP 137 N -1.15 0.83 -4.67 3.54 8.00 -1.26 -4.76 116.55 117.09 1k73 n ASP 137 Ca 0.10 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 1k73 n ASP 137 Cb 0.10 1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 1k73 n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1k73 s HIS 138 N -2.60 3.40 1.16 1.24 2.46 -1.12 -4.95 115.29 114.87 1k73 s HIS 138 Ca 0.04 1.36 -0.13 0.00 0.47 0.00 0.00 55.06 56.80 1k73 s HIS 138 Cb 0.12 -3.13 0.28 0.00 -0.13 0.00 0.00 32.58 29.72 1k73 s HIS 138 CO 0.65 -0.33 1.03 -1.25 -2.47 0.00 0.00 174.74 172.37 1k73 s PRO 139 N 2.55 -0.86 0.00 2.88 0.04 -1.26 -1.75 135.00 136.60 1k73 s PRO 139 Ca 0.41 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1k73 s PRO 139 Cb -0.16 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1k73 s PRO 139 CO 0.11 -3.66 0.00 0.00 0.04 0.00 0.00 177.00 173.48 1k73 n ALA 140 N -4.87 0.00 -0.08 8.56 0.00 -1.26 -4.45 120.51 118.41 1k73 n ALA 140 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1k73 n ALA 140 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1k73 n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1k73 n ILE 141 N 0.00 0.92 0.25 0.00 5.41 -0.72 -3.63 119.36 121.59 1k73 n ILE 141 Ca 0.00 -0.34 0.08 0.00 1.00 0.00 0.00 62.75 63.49 1k73 n ILE 141 Cb 0.00 -1.14 0.62 0.00 -0.71 0.00 0.00 39.64 38.41 1k73 n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1k73 h LYS 142 N -0.07 0.00 -0.30 0.38 1.57 -1.58 -2.00 116.57 114.58 1k73 h LYS 142 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1k73 h LYS 142 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1k73 h LYS 142 CO -0.08 0.10 0.00 0.43 -0.57 0.00 0.00 179.45 179.33 1k73 n SER 143 N -4.26 3.11 -4.60 0.86 7.64 -1.26 -4.77 113.62 110.34 1k73 n SER 143 Ca -0.03 -1.95 -0.41 0.00 1.01 0.00 0.00 58.87 57.50 1k73 n SER 143 Cb 0.17 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.11 1k73 n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k73 s ASP 144 N -1.58 6.46 0.00 6.43 -1.08 -0.75 -4.91 116.67 121.24 1k73 s ASP 144 Ca 0.36 0.38 0.10 0.00 -0.52 0.00 0.00 52.55 52.87 1k73 s ASP 144 Cb 0.22 -2.31 0.54 0.00 -1.46 0.00 0.00 42.92 39.90 1k73 s ASP 144 CO 0.31 -0.44 1.12 0.47 0.52 0.00 0.00 175.17 177.15 1k73 n ASP 145 N 5.79 0.00 -0.00 -0.34 8.00 -1.26 -0.55 116.55 128.19 1k73 n ASP 145 Ca -0.02 -0.07 0.05 0.00 0.71 0.00 0.00 54.79 55.46 1k73 n ASP 145 Cb 0.49 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1k73 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k73 n GLN 146 N -1.15 2.68 0.00 -1.24 6.02 -1.26 -4.69 117.38 117.74 1k73 n GLN 146 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1k73 n GLN 146 Cb 0.06 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1k73 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1k73 n LEU 147 N -1.42 0.00 0.09 1.08 4.77 -0.99 -4.75 117.00 115.78 1k73 n LEU 147 Ca 0.01 -0.07 0.20 0.00 -0.03 0.00 0.00 56.01 56.12 1k73 n LEU 147 Cb 0.19 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.95 1k73 n LEU 147 CO 0.20 0.00 1.18 0.77 -1.33 0.00 0.00 177.39 178.21 1k73 h SER 148 N 0.00 0.00 -0.40 -1.43 4.64 -0.81 0.12 113.55 115.66 1k73 h SER 148 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1k73 h SER 148 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1k73 h SER 148 CO 0.00 0.00 0.27 4.11 -0.87 0.00 0.00 176.83 180.34 1k73 h TRP 149 N 0.00 0.38 0.00 4.77 5.08 -1.85 0.16 115.95 124.49 1k73 h TRP 149 Ca 0.20 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1k73 h TRP 149 Cb 1.37 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1k73 h TRP 149 CO 0.00 0.22 0.00 1.51 -1.28 0.00 0.00 178.44 178.89 1k73 n ILE 150 N -4.48 0.65 0.51 0.12 3.06 0.42 -2.59 119.36 117.05 1k73 n ILE 150 Ca 0.04 0.16 0.13 0.00 -2.50 0.00 0.00 62.75 60.58 1k73 n ILE 150 Cb 0.19 -0.86 0.35 0.00 0.54 0.00 0.00 39.64 39.86 1k73 n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1k73 h SER 151 N 0.00 0.00 -4.04 9.51 0.02 -0.82 -3.45 113.55 114.77 1k73 h SER 151 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1k73 h SER 151 Cb 0.26 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.94 1k73 h SER 151 CO 0.00 0.00 0.63 -0.13 -1.14 0.00 0.00 176.83 176.19 1k73 s ARG 152 N -3.14 3.22 0.40 3.45 1.81 -1.07 -4.88 118.95 118.74 1k73 s ARG 152 Ca 0.10 2.28 0.08 0.00 -1.72 0.00 0.00 55.73 56.46 1k73 s ARG 152 Cb 0.10 -2.32 0.84 0.00 -0.45 0.00 0.00 34.95 33.12 1k73 s ARG 152 CO 0.61 -1.14 2.01 1.15 -0.68 0.00 0.00 175.30 177.25 1k73 h THR 153 N 1.58 1.05 0.00 0.02 2.02 -1.92 -0.27 112.91 115.40 1k73 h THR 153 Ca -0.51 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1k73 h THR 153 Cb 1.30 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1k73 h THR 153 CO 0.58 0.11 0.00 0.54 0.37 0.00 0.00 175.52 177.12 1k73 n ARG 154 N -4.47 0.05 -0.42 6.66 1.74 -1.26 -1.12 116.66 117.85 1k73 n ARG 154 Ca 0.07 0.55 0.09 0.00 -0.77 0.00 0.00 57.85 57.79 1k73 n ARG 154 Cb 0.16 -1.68 0.29 0.00 -1.02 0.00 0.00 32.46 30.21 1k73 n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k73 n HIS 155 N -1.79 1.02 -1.84 -1.55 8.25 -0.11 -4.94 115.22 114.27 1k73 n HIS 155 Ca -0.00 -0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 56.46 1k73 n HIS 155 Cb 0.02 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 1k73 n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1k73 s ARG 156 N -1.47 4.17 -1.26 -0.41 0.52 -0.28 -2.72 118.95 117.50 1k73 s ARG 156 Ca 0.42 2.45 -0.07 0.00 -0.52 0.00 0.00 55.73 58.02 1k73 s ARG 156 Cb 0.25 -3.48 0.01 0.00 0.52 0.00 0.00 34.95 32.25 1k73 s ARG 156 CO 0.23 -0.75 1.10 1.28 0.02 0.00 0.00 175.30 177.18 1k73 n LEU 157 N 5.23 -3.48 -0.22 2.53 4.77 -1.26 -4.93 117.00 119.64 1k73 n LEU 157 Ca 0.16 -0.53 -0.05 0.00 -0.03 0.00 0.00 56.01 55.56 1k73 n LEU 157 Cb 0.39 -2.94 0.01 0.00 -2.33 0.00 0.00 43.42 38.54 1k73 n LEU 157 CO 0.64 0.57 0.62 0.03 -1.33 0.00 0.00 177.39 177.92 1k73 h ARG 158 N -2.42 -0.14 -0.81 3.23 3.08 -1.87 -2.22 114.38 113.22 1k73 h ARG 158 Ca -0.55 0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.61 1k73 h ARG 158 Cb 1.35 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.36 1k73 h ARG 158 CO 0.52 -0.09 0.45 1.79 -1.07 0.00 0.00 179.97 181.57 1k73 h THR 159 N -0.15 0.89 0.00 2.04 1.35 -1.91 -1.23 112.91 113.91 1k73 h THR 159 Ca 0.24 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1k73 h THR 159 Cb 0.56 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1k73 h THR 159 CO -0.71 0.14 0.00 0.49 -0.25 0.00 0.00 175.52 175.18 1k73 n PHE 160 N -4.77 0.43 -0.09 4.73 3.01 -0.84 -1.52 117.46 118.41 1k73 n PHE 160 Ca 0.13 0.19 0.05 0.00 1.01 0.00 0.00 57.45 58.83 1k73 n PHE 160 Cb 0.29 -0.80 0.12 0.00 -0.01 0.00 0.00 39.48 39.08 1k73 n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1k73 n ARG 161 N -1.91 2.61 -1.29 -1.08 1.74 -0.52 -4.98 116.66 111.24 1k73 n ARG 161 Ca 0.01 -1.88 -0.10 0.00 -0.77 0.00 0.00 57.85 55.11 1k73 n ARG 161 Cb 0.14 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1k73 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k73 n GLY 162 N 0.41 1.14 0.16 -0.13 0.00 -0.57 -4.88 105.19 101.31 1k73 n GLY 162 Ca 0.10 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1k73 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k73 n LEU 163 N -1.13 0.47 -4.93 0.99 4.77 -0.87 -2.96 117.00 113.34 1k73 n LEU 163 Ca -0.10 -0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.39 1k73 n LEU 163 Cb 0.34 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1k73 n LEU 163 CO 0.15 0.11 0.72 0.28 -1.33 0.00 0.00 177.39 177.32 1k73 s THR 164 N -1.90 2.12 0.00 -5.08 -1.32 -1.26 -4.81 115.64 103.38 1k73 s THR 164 Ca 0.16 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1k73 s THR 164 Cb 0.08 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1k73 s THR 164 CO 0.12 0.00 0.88 -1.54 -2.21 0.00 0.00 174.62 171.87 1k73 n SER 165 N -3.23 0.00 0.27 8.08 3.41 -1.26 -0.58 113.62 120.31 1k73 n SER 165 Ca 0.11 0.88 0.13 0.00 -0.26 0.00 0.00 58.87 59.72 1k73 n SER 165 Cb 0.60 -0.38 0.77 0.00 -0.26 0.00 0.00 64.21 64.95 1k73 n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k73 h ALA 166 N -1.63 1.47 0.63 7.33 0.00 -1.94 -2.64 119.26 122.47 1k73 h ALA 166 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1k73 h ALA 166 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1k73 h ALA 166 CO 0.00 0.09 -0.30 0.78 0.00 0.00 0.00 179.25 179.82 1k73 h GLY 167 N 0.42 -0.88 1.31 0.00 0.00 -1.60 -0.28 103.07 102.04 1k73 h GLY 167 Ca -0.00 0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1k73 h GLY 167 CO 0.01 -0.32 0.26 3.21 0.00 0.00 0.00 176.54 179.70 1k73 h ARG 168 N -0.84 0.89 -0.24 4.80 3.08 -0.48 -1.01 114.38 120.57 1k73 h ARG 168 Ca -0.09 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.72 1k73 h ARG 168 Cb 0.65 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1k73 h ARG 168 CO 0.14 0.72 -0.27 0.00 -1.07 0.00 0.00 179.97 179.49 1k73 h ARG 169 N 0.88 0.61 0.00 0.04 3.08 -1.41 -2.10 114.38 115.49 1k73 h ARG 169 Ca 0.21 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1k73 h ARG 169 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1k73 h ARG 169 CO -0.02 0.93 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 1k73 n ARG 171 N -2.79 1.77 -1.19 0.00 1.74 -0.40 -4.92 116.66 110.87 1k73 n ARG 171 Ca 0.00 -1.17 -0.07 0.00 -0.77 0.00 0.00 57.85 55.85 1k73 n ARG 171 Cb 0.21 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1k73 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k73 n GLY 172 N 1.10 0.89 0.50 -0.13 0.00 -0.49 -4.85 105.19 102.22 1k73 n GLY 172 Ca 0.14 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.57 1k73 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k73 n LEU 173 N -0.75 1.49 0.32 0.99 4.77 -0.85 -4.41 117.00 118.57 1k73 n LEU 173 Ca -0.07 -0.66 -0.18 0.00 -0.03 0.00 0.00 56.01 55.08 1k73 n LEU 173 Cb 0.23 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1k73 n LEU 173 CO 0.10 0.33 0.60 0.03 -1.33 0.00 0.00 177.39 177.12 1k73 h ARG 174 N 1.88 -0.90 -6.92 3.23 3.08 -1.84 -3.43 114.38 109.47 1k73 h ARG 174 Ca 0.00 0.06 -0.48 0.00 0.07 0.00 0.00 59.98 59.63 1k73 h ARG 174 Cb 0.42 0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.68 1k73 h ARG 174 CO 0.00 -0.60 0.41 0.20 -1.07 0.00 0.00 179.97 178.91 1k73 s GLY 175 N -2.14 2.82 0.00 0.04 0.00 -1.26 -4.95 107.32 101.82 1k73 s GLY 175 Ca -0.18 0.71 0.20 0.00 0.00 0.00 0.00 44.72 45.45 1k73 s GLY 175 CO 0.62 1.18 0.89 -1.06 0.00 0.00 0.00 173.10 174.73 1k73 n GLN 176 N 0.28 0.87 0.00 2.90 6.02 -1.26 -4.75 117.38 121.45 1k73 n GLN 176 Ca 0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1k73 n GLN 176 Cb 0.49 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1k73 n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k73 n GLY 177 N 1.42 2.12 3.56 1.08 0.00 -1.26 -4.96 105.19 107.15 1k73 n GLY 177 Ca 0.05 -0.21 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 1k73 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k73 n LYS 178 N 0.00 1.04 0.00 1.61 4.81 -1.26 -1.98 118.16 122.38 1k73 n LYS 178 Ca 0.00 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1k73 n LYS 178 Cb 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1k73 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k73 n GLY 179 N 1.80 3.43 1.82 3.14 0.00 -1.26 -4.91 105.19 109.21 1k73 n GLY 179 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1k73 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k73 n SER 180 N 0.00 3.91 -0.22 1.61 3.41 -0.84 -4.55 113.62 116.95 1k73 n SER 180 Ca 0.00 -3.45 -0.04 0.00 -0.26 0.00 0.00 58.87 55.12 1k73 n SER 180 Cb 0.00 -0.74 0.13 0.00 -0.26 0.00 0.00 64.21 63.34 1k73 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1k73 h GLU 181 N 1.69 1.04 -0.28 4.33 3.07 -1.90 -2.79 114.58 119.74 1k73 h GLU 181 Ca 0.36 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1k73 h GLU 181 Cb 2.31 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 30.06 1k73 h GLU 181 CO 0.75 0.86 0.00 1.63 -1.40 0.00 0.00 179.01 180.85 1k73 n LYS 182 N -4.28 2.46 -0.07 2.33 4.76 -1.26 -4.57 118.16 117.53 1k73 n LYS 182 Ca 0.06 -2.19 -0.07 0.00 -2.87 0.00 0.00 58.31 53.24 1k73 n LYS 182 Cb 0.19 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1k73 n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1k73 n VAL 183 N 1.46 1.22 -3.01 -0.18 0.31 -1.08 -4.38 118.33 112.67 1k73 n VAL 183 Ca 0.18 0.22 -0.36 0.00 -0.01 0.00 0.00 64.34 64.37 1k73 n VAL 183 Cb 0.61 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 1k73 n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1k73 s ARG 184 N -2.47 4.29 0.21 5.55 3.52 -1.08 -2.10 118.95 126.87 1k73 s ARG 184 Ca -0.22 0.96 0.25 0.00 -0.13 0.00 0.00 55.73 56.59 1k73 s ARG 184 Cb 0.03 -2.75 0.52 0.00 -1.56 0.00 0.00 34.95 31.19 1k73 s ARG 184 CO 0.32 0.31 1.54 -1.00 -0.81 0.00 0.00 175.30 175.65 1k73 h PRO 185 N 3.09 0.00 -2.55 5.12 0.13 -1.91 -3.46 132.00 132.41 1k73 h PRO 185 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1k73 h PRO 185 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1k73 h PRO 185 CO 0.65 0.00 0.16 -1.54 -0.23 0.00 0.00 178.00 177.04 1k73 s SER 186 N -4.71 -0.58 0.07 1.44 1.04 -0.89 -5.04 113.70 105.03 1k73 s SER 186 Ca 0.08 0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.63 1k73 s SER 186 Cb 0.11 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.68 1k73 s SER 186 CO 0.67 -0.77 1.47 -0.07 0.98 0.00 0.00 173.24 175.51 1k73 h LEU 187 N 2.56 0.37 -0.47 2.42 3.38 -1.79 -2.85 115.31 118.92 1k73 h LEU 187 Ca -0.31 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1k73 h LEU 187 Cb 1.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1k73 h LEU 187 CO 0.39 0.63 0.30 -0.09 0.09 0.00 0.00 178.44 179.76 1k73 h ARG 188 N 0.10 0.59 0.00 1.13 2.43 -1.91 0.28 114.38 116.99 1k73 h ARG 188 Ca 0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1k73 h ARG 188 Cb 0.46 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1k73 h ARG 188 CO 0.02 0.39 -0.08 -0.24 -1.51 0.00 0.00 179.97 178.55 1k73 h VAL 189 N 0.60 0.60 -0.38 0.20 3.04 -1.95 -1.86 116.25 116.49 1k73 h VAL 189 Ca 0.18 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1k73 h VAL 189 Cb -0.03 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1k73 h VAL 189 CO -0.06 0.07 0.00 0.59 -1.01 0.00 0.00 177.57 177.16 1k73 n ASN 190 N -3.78 3.76 -0.04 3.17 3.02 -0.82 -4.90 115.26 115.67 1k73 n ASN 190 Ca -0.02 -2.49 -0.01 0.00 -0.03 0.00 0.00 54.58 52.03 1k73 n ASN 190 Cb 0.17 -0.57 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1k73 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k73 n GLY 191 N 0.55 0.36 2.24 7.41 0.00 -0.70 -3.75 105.19 111.30 1k73 n GLY 191 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1k73 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 n ALA 192 N 1.01 -1.21 -1.04 4.61 0.00 0.02 -4.99 120.51 118.92 1k73 n ALA 192 Ca -0.01 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1k73 n ALA 192 Cb 0.19 -2.24 0.16 0.00 0.00 0.00 0.00 19.45 17.55 1k73 n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k73 n LYS 193 N -2.40 1.61 0.00 0.00 5.02 -1.25 -5.06 118.16 116.08 1k73 n LYS 193 Ca -0.08 -2.61 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 1k73 n LYS 193 Cb 0.57 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1k73 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88