#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 n ARG 2 N 0.00 2.09 -2.15 0.00 1.74 -1.26 -4.98 116.66 112.10 1q82 n ARG 2 Ca 0.00 0.74 -0.29 0.00 -0.77 0.00 0.00 57.85 57.53 1q82 n ARG 2 Cb 0.00 -2.47 0.02 0.00 -1.02 0.00 0.00 32.46 28.98 1q82 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q82 s SER 3 N -0.47 5.98 0.39 0.55 1.04 -1.26 -4.94 113.70 114.99 1q82 s SER 3 Ca 0.60 1.13 0.12 0.00 0.48 0.00 0.00 55.95 58.27 1q82 s SER 3 Cb -0.49 -2.18 0.79 0.00 0.10 0.00 0.00 66.02 64.23 1q82 s SER 3 CO 0.59 -0.93 1.88 0.00 0.98 0.00 0.00 173.24 175.76 1q82 h ALA 4 N -0.23 1.48 -0.19 5.32 0.00 -2.03 -2.64 119.26 120.96 1q82 h ALA 4 Ca -0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1q82 h ALA 4 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1q82 h ALA 4 CO 0.62 0.38 0.13 1.88 0.00 0.00 0.00 179.25 182.26 1q82 h TYR 5 N 0.08 0.25 -1.30 0.00 0.99 -2.01 -2.60 116.97 112.37 1q82 h TYR 5 Ca 0.01 0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.12 1q82 h TYR 5 Cb 0.51 -0.08 -0.06 0.00 1.00 0.00 0.00 36.73 38.10 1q82 h TYR 5 CO 0.00 0.17 0.92 0.66 -0.00 0.00 0.00 178.16 179.92 1q82 h SER 6 N 0.25 0.05 -0.18 3.88 4.64 -1.85 0.18 113.55 120.52 1q82 h SER 6 Ca 0.07 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1q82 h SER 6 Cb -0.02 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1q82 h SER 6 CO -0.01 -0.00 -0.17 1.88 -0.87 0.00 0.00 176.83 177.65 1q82 h TYR 7 N 0.04 0.52 -0.89 4.77 -1.99 -1.57 0.34 116.97 118.20 1q82 h TYR 7 Ca 0.64 -0.15 0.05 0.00 2.00 0.00 0.00 58.73 61.26 1q82 h TYR 7 Cb 2.44 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 41.01 1q82 h TYR 7 CO -0.00 0.80 0.58 0.82 -0.00 0.00 0.00 178.16 180.36 1q82 h ILE 8 N 0.09 1.11 -0.19 -2.88 2.04 -0.73 0.30 117.51 117.25 1q82 h ILE 8 Ca 0.03 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1q82 h ILE 8 Cb 0.71 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1q82 h ILE 8 CO 0.04 0.19 -0.11 -0.09 0.00 0.00 0.00 178.15 178.19 1q82 h ARG 9 N 1.06 0.41 -0.58 2.37 2.43 -1.28 -2.36 114.38 116.43 1q82 h ARG 9 Ca 0.37 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1q82 h ARG 9 Cb 0.10 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1q82 h ARG 9 CO -0.12 0.72 0.34 1.49 -1.51 0.00 0.00 179.97 180.89 1q82 h GLU 10 N 0.10 0.65 -0.22 0.20 4.57 -0.18 -2.59 114.58 117.12 1q82 h GLU 10 Ca 0.04 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1q82 h GLU 10 Cb 0.61 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1q82 h GLU 10 CO 0.03 0.43 0.11 0.00 -1.18 0.00 0.00 179.01 178.40 1q82 h ALA 11 N 1.26 0.26 0.00 2.92 0.00 -0.90 -2.34 119.26 120.46 1q82 h ALA 11 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1q82 h ALA 11 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1q82 h ALA 11 CO -0.11 -0.30 0.00 0.91 0.00 0.00 0.00 179.25 179.75 1q82 n TRP 12 N -4.99 0.00 0.14 0.00 7.02 -0.90 -2.73 117.44 115.98 1q82 n TRP 12 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1q82 n TRP 12 Cb 0.06 -0.10 0.15 0.00 -2.42 0.00 0.00 31.31 29.00 1q82 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1q82 h LYS 13 N 0.00 0.00 -2.12 -0.99 1.57 -1.14 -3.34 116.57 110.55 1q82 h LYS 13 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1q82 h LYS 13 Cb 0.04 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.96 1q82 h LYS 13 CO 0.00 0.60 -0.97 0.54 -0.57 0.00 0.00 179.45 179.05 1q82 n ARG 14 N -3.58 1.08 0.00 3.15 1.74 -1.10 -4.98 116.66 112.96 1q82 n ARG 14 Ca -0.00 -3.57 0.00 0.00 -0.77 0.00 0.00 57.85 53.51 1q82 n ARG 14 Cb 0.65 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1q82 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1q82 n PRO 15 N 1.47 0.00 -0.13 5.56 -0.04 -1.25 -0.82 135.00 139.79 1q82 n PRO 15 Ca 0.24 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.82 1q82 n PRO 15 Cb 0.49 -1.51 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 1q82 n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q82 n LYS 16 N -0.99 2.26 -4.31 0.54 5.02 -1.26 -3.76 118.16 115.65 1q82 n LYS 16 Ca 0.00 -1.80 -0.23 0.00 -2.02 0.00 0.00 58.31 54.26 1q82 n LYS 16 Cb 0.01 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1q82 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1q82 s GLU 17 N -0.97 2.19 0.67 1.97 0.41 0.00 -4.77 118.70 118.19 1q82 s GLU 17 Ca 0.20 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 1q82 s GLU 17 Cb 0.11 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 1q82 s GLU 17 CO 0.15 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 1q82 n GLY 18 N -0.87 0.99 0.15 -1.39 0.00 -1.26 -2.34 105.19 100.47 1q82 n GLY 18 Ca -0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1q82 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1q82 h GLN 19 N 0.00 0.11 -0.68 1.61 4.20 -1.97 -2.18 115.11 116.20 1q82 h GLN 19 Ca 0.00 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.81 1q82 h GLN 19 Cb 0.00 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1q82 h GLN 19 CO 0.00 0.07 0.45 0.97 -0.67 0.00 0.00 178.83 179.65 1q82 h ILE 20 N 0.12 0.89 -0.53 2.54 2.10 -1.91 0.68 117.51 121.39 1q82 h ILE 20 Ca 0.17 -0.17 0.04 0.00 1.08 0.00 0.00 64.86 65.98 1q82 h ILE 20 Cb 0.22 0.36 -0.04 0.00 -1.09 0.00 0.00 36.82 36.27 1q82 h ILE 20 CO -0.27 0.09 0.28 0.00 -1.08 0.00 0.00 178.15 177.17 1q82 h ALA 21 N 1.66 0.69 -0.15 0.18 0.00 -0.99 0.63 119.26 121.28 1q82 h ALA 21 Ca 0.32 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1q82 h ALA 21 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1q82 h ALA 21 CO -0.10 -0.06 -0.57 1.49 0.00 0.00 0.00 179.25 180.02 1q82 h GLU 22 N 0.54 0.47 -0.02 0.00 4.81 -0.89 -2.63 114.58 116.87 1q82 h GLU 22 Ca 0.23 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1q82 h GLU 22 Cb 0.13 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1q82 h GLU 22 CO -0.16 0.91 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.90 1q82 h LEU 23 N 0.36 -0.18 -0.01 1.64 3.38 -0.14 -1.61 115.31 118.75 1q82 h LEU 23 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1q82 h LEU 23 Cb 1.10 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1q82 h LEU 23 CO 0.10 -0.09 -0.21 0.24 0.09 0.00 0.00 178.44 178.58 1q82 h MET 24 N -0.09 -0.31 -1.00 1.13 2.86 -0.86 0.58 114.93 117.23 1q82 h MET 24 Ca 0.03 0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.91 1q82 h MET 24 Cb 0.14 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 31.76 1q82 h MET 24 CO -0.08 -0.21 0.61 2.35 1.06 0.00 0.00 176.91 180.64 1q82 h TRP 25 N -0.32 1.02 0.40 -0.22 7.01 -1.29 0.71 115.95 123.26 1q82 h TRP 25 Ca 0.06 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1q82 h TRP 25 Cb 0.41 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1q82 h TRP 25 CO -0.26 0.16 -0.19 0.45 -2.79 0.00 0.00 178.44 175.81 1q82 h HIS 26 N 0.67 -0.50 -0.09 2.65 3.86 -0.09 -3.34 115.15 118.32 1q82 h HIS 26 Ca 0.60 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.83 1q82 h HIS 26 Cb 1.05 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.63 1q82 h HIS 26 CO -0.00 -0.31 -0.54 0.00 0.86 0.00 0.00 177.93 177.94 1q82 h ARG 27 N -0.88 -0.59 -1.73 2.45 3.08 0.65 -2.33 114.38 115.02 1q82 h ARG 27 Ca -0.05 0.04 0.51 0.00 0.07 0.00 0.00 59.98 60.54 1q82 h ARG 27 Cb 0.41 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1q82 h ARG 27 CO 0.09 -0.39 1.24 0.52 -1.07 0.00 0.00 179.97 180.36 1q82 h MET 28 N -0.61 0.01 -0.32 0.04 2.86 -1.05 1.39 114.93 117.25 1q82 h MET 28 Ca 0.02 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1q82 h MET 28 Cb 0.69 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1q82 h MET 28 CO -0.41 0.00 -0.24 1.96 1.06 0.00 0.00 176.91 179.29 1q82 h GLN 29 N 0.01 0.63 0.10 1.72 4.20 -1.54 0.73 115.11 120.96 1q82 h GLN 29 Ca 0.83 -0.25 -0.29 0.00 0.06 0.00 0.00 58.65 59.00 1q82 h GLN 29 Cb 3.31 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 31.05 1q82 h GLN 29 CO -0.03 0.82 -1.46 0.93 -0.67 0.00 0.00 178.83 178.41 1q82 h GLU 30 N 0.55 0.21 -0.21 1.46 5.08 0.17 -3.33 114.58 118.51 1q82 h GLU 30 Ca 0.08 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1q82 h GLU 30 Cb 0.71 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1q82 h GLU 30 CO 0.05 1.07 0.14 -1.49 -1.00 0.00 0.00 179.01 177.78 1q82 h TRP 31 N 0.06 0.26 -0.09 4.33 6.55 -0.57 -2.30 115.95 124.18 1q82 h TRP 31 Ca -0.21 0.01 0.03 0.00 0.95 0.00 0.00 58.89 59.66 1q82 h TRP 31 Cb 1.99 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 30.20 1q82 h TRP 31 CO 0.05 0.16 0.31 0.00 -1.05 0.00 0.00 178.44 177.91 1q82 h ARG 32 N 0.28 0.00 -0.20 0.49 3.08 -0.96 0.48 114.38 117.55 1q82 h ARG 32 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1q82 h ARG 32 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1q82 h ARG 32 CO -0.02 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.97 1q82 n ASN 33 N -3.15 3.16 -4.97 7.04 3.02 -0.89 -4.95 115.26 114.51 1q82 n ASN 33 Ca -0.00 -1.97 -0.20 0.00 -0.03 0.00 0.00 54.58 52.38 1q82 n ASN 33 Cb 0.39 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1q82 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1q82 s GLU 34 N -1.68 2.57 0.00 3.52 2.02 0.17 -5.10 118.70 120.19 1q82 s GLU 34 Ca 0.32 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1q82 s GLU 34 Cb 0.21 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1q82 s GLU 34 CO 0.30 -0.65 0.00 -0.35 0.02 0.00 0.00 175.26 174.57 1q82 n PRO 35 N -2.26 -0.15 -0.03 0.39 -0.04 -1.26 -5.00 135.00 126.65 1q82 n PRO 35 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1q82 n PRO 35 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 1q82 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q82 h ALA 36 N -2.00 0.10 -3.55 0.55 0.00 -1.92 -3.42 119.26 109.02 1q82 h ALA 36 Ca 0.00 -0.44 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 1q82 h ALA 36 Cb 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.41 1q82 h ALA 36 CO 0.00 0.15 -0.79 0.08 0.00 0.00 0.00 179.25 178.69 1q82 s VAL 37 N -3.55 1.42 -0.17 0.00 1.01 -1.26 -1.38 120.40 116.47 1q82 s VAL 37 Ca -0.15 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1q82 s VAL 37 Cb 0.03 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1q82 s VAL 37 CO 0.76 -0.06 -0.15 -0.69 0.00 0.00 0.00 175.10 174.96 1q82 s VAL 38 N 1.46 1.74 0.31 2.92 1.01 -0.63 -4.99 120.40 122.22 1q82 s VAL 38 Ca -0.04 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1q82 s VAL 38 Cb -0.18 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 1q82 s VAL 38 CO -0.07 0.44 1.17 -0.60 0.00 0.00 0.00 175.10 176.04 1q82 s ARG 39 N 1.41 4.50 -0.04 2.72 3.52 -1.26 -1.37 118.95 128.43 1q82 s ARG 39 Ca 0.04 1.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.60 1q82 s ARG 39 Cb -0.13 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1q82 s ARG 39 CO -0.11 0.04 -0.15 0.96 -0.81 0.00 0.00 175.30 175.23 1q82 s ILE 40 N -1.19 1.25 0.24 4.11 -4.36 -0.99 -4.92 121.20 115.35 1q82 s ILE 40 Ca 0.47 -0.62 -0.05 0.00 -0.26 0.00 0.00 60.65 60.20 1q82 s ILE 40 Cb -0.34 -1.08 0.22 0.00 1.25 0.00 0.00 42.46 42.51 1q82 s ILE 40 CO 0.44 0.37 1.83 -0.33 0.24 0.00 0.00 174.94 177.49 1q82 h GLU 41 N 6.28 0.88 -5.83 0.37 5.08 -1.95 -3.40 114.58 116.00 1q82 h GLU 41 Ca -0.33 -0.05 -0.51 0.00 -1.00 0.00 0.00 59.36 57.47 1q82 h GLU 41 Cb 1.17 -0.20 -0.23 0.00 0.50 0.00 0.00 28.75 30.00 1q82 h GLU 41 CO 0.48 0.58 -0.81 1.03 -1.00 0.00 0.00 179.01 179.29 1q82 s ARG 42 N -6.05 1.06 0.31 2.33 1.81 -1.26 -4.93 118.95 112.23 1q82 s ARG 42 Ca -0.12 -1.02 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 1q82 s ARG 42 Cb 0.19 -1.21 -0.10 0.00 -0.45 0.00 0.00 34.95 33.38 1q82 s ARG 42 CO 0.79 0.28 1.34 -2.14 -0.68 0.00 0.00 175.30 174.89 1q82 s PRO 43 N -1.65 4.33 0.24 3.54 0.02 -1.26 -4.92 135.00 135.30 1q82 s PRO 43 Ca 0.04 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.31 1q82 s PRO 43 Cb -0.10 -3.08 0.27 0.00 0.02 0.00 0.00 34.50 31.61 1q82 s PRO 43 CO 0.03 -0.25 1.60 1.15 -0.33 0.00 0.00 177.00 179.20 1q82 h THR 44 N 3.18 1.33 -3.02 0.99 2.02 -2.00 -3.33 112.91 112.08 1q82 h THR 44 Ca -0.48 -1.71 -0.67 0.00 0.77 0.00 0.00 66.41 64.32 1q82 h THR 44 Cb 1.22 1.75 -0.38 0.00 -1.74 0.00 0.00 68.15 69.01 1q82 h THR 44 CO 0.69 0.52 -0.23 0.54 0.37 0.00 0.00 175.52 177.40 1q82 n ARG 45 N -3.97 2.56 -0.29 6.66 1.74 -1.26 -4.95 116.66 117.15 1q82 n ARG 45 Ca -0.02 -4.53 0.10 0.00 -0.77 0.00 0.00 57.85 52.64 1q82 n ARG 45 Cb 0.55 -2.36 0.26 0.00 -1.02 0.00 0.00 32.46 29.89 1q82 n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1q82 h LEU 46 N 5.45 0.19 0.18 0.55 6.46 -1.98 -0.74 115.31 125.42 1q82 h LEU 46 Ca 0.17 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1q82 h LEU 46 Cb 0.75 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1q82 h LEU 46 CO 0.86 -0.02 -0.10 -2.24 -0.62 0.00 0.00 178.44 176.31 1q82 h ASP 47 N 0.34 -0.24 -0.06 1.25 2.03 -1.92 -2.10 116.42 115.73 1q82 h ASP 47 Ca 0.51 0.01 0.02 0.00 -0.73 0.00 0.00 57.03 56.84 1q82 h ASP 47 Cb 0.94 0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 39.46 1q82 h ASP 47 CO -0.53 -0.16 -0.40 0.03 -1.03 0.00 0.00 179.24 177.14 1q82 h ARG 48 N -0.26 -0.44 -0.23 4.15 2.47 -1.57 0.19 114.38 118.68 1q82 h ARG 48 Ca -0.02 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1q82 h ARG 48 Cb 0.21 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.58 1q82 h ARG 48 CO 0.03 -0.30 -0.34 0.00 0.56 0.00 0.00 179.97 179.92 1q82 h ALA 49 N -0.64 -0.61 -0.89 0.04 0.00 -1.25 0.35 119.26 116.26 1q82 h ALA 49 Ca 0.02 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1q82 h ALA 49 Cb 0.52 0.95 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1q82 h ALA 49 CO -0.30 -0.77 0.45 0.00 0.00 0.00 0.00 179.25 178.64 1q82 h ARG 50 N -0.26 0.57 0.00 0.00 3.08 -1.26 0.76 114.38 117.27 1q82 h ARG 50 Ca 0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1q82 h ARG 50 Cb 0.37 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1q82 h ARG 50 CO -0.35 0.38 -0.16 1.03 -1.07 0.00 0.00 179.97 179.80 1q82 h SER 51 N 0.59 0.00 1.72 7.04 0.87 0.13 -2.19 113.55 121.71 1q82 h SER 51 Ca 0.51 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 1q82 h SER 51 Cb 0.80 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1q82 h SER 51 CO -0.41 0.16 -0.28 -0.07 -0.53 0.00 0.00 176.83 175.70 1q82 h LEU 52 N 0.00 0.00 0.00 2.23 3.38 0.43 -3.47 115.31 117.88 1q82 h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q82 h LEU 52 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1q82 h LEU 52 CO 0.02 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1q82 n GLY 53 N 1.13 0.19 3.67 0.83 0.00 0.12 -4.84 105.19 106.29 1q82 n GLY 53 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1q82 n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q82 n TYR 54 N 0.00 1.72 -3.78 1.61 9.36 0.09 -4.90 117.16 121.26 1q82 n TYR 54 Ca 0.00 0.50 -0.13 0.00 3.32 0.00 0.00 57.90 61.59 1q82 n TYR 54 Cb 0.00 -2.30 -0.13 0.00 -0.63 0.00 0.00 39.34 36.28 1q82 n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1q82 s LYS 55 N -2.31 0.21 -1.10 2.98 1.02 -1.26 -4.28 119.74 115.00 1q82 s LYS 55 Ca 0.65 0.35 -0.22 0.00 0.02 0.00 0.00 55.97 56.77 1q82 s LYS 55 Cb -0.50 0.02 0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1q82 s LYS 55 CO 0.55 -0.08 1.69 0.00 -0.92 0.00 0.00 175.35 176.60 1q82 s ALA 56 N 0.51 2.55 0.23 5.17 0.00 -1.26 -4.81 121.76 124.14 1q82 s ALA 56 Ca -0.03 -2.28 -0.10 0.00 0.00 0.00 0.00 51.96 49.55 1q82 s ALA 56 Cb -0.05 -4.59 -0.01 0.00 0.00 0.00 0.00 23.12 18.47 1q82 s ALA 56 CO -0.03 -3.99 0.38 0.21 0.00 0.00 0.00 175.76 172.34 1q82 s LYS 57 N 5.38 1.43 0.17 0.00 2.20 -1.26 -5.13 119.74 122.53 1q82 s LYS 57 Ca 0.56 -1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 1q82 s LYS 57 Cb -0.00 0.42 -0.07 0.00 -1.51 0.00 0.00 37.83 36.66 1q82 s LYS 57 CO -0.00 -0.56 1.08 -0.65 -0.36 0.00 0.00 175.35 174.86 1q82 s GLN 58 N -4.04 4.61 0.00 4.03 -0.21 -1.26 -3.20 119.66 119.59 1q82 s GLN 58 Ca 0.25 1.69 0.00 0.00 0.02 0.00 0.00 55.36 57.32 1q82 s GLN 58 Cb 0.01 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1q82 s GLN 58 CO 0.08 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 1q82 n GLY 59 N 2.05 0.50 3.45 3.09 0.00 -1.26 -4.56 105.19 108.45 1q82 n GLY 59 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1q82 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q82 s ILE 60 N -2.18 3.99 0.11 -0.61 1.01 -1.20 0.25 121.20 122.57 1q82 s ILE 60 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.44 1q82 s ILE 60 Cb 0.00 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1q82 s ILE 60 CO 0.00 0.42 -0.22 -0.63 0.00 0.00 0.00 174.94 174.51 1q82 s ILE 61 N 1.07 1.81 0.02 2.92 1.09 -0.46 -4.86 121.20 122.79 1q82 s ILE 61 Ca 0.02 -1.60 0.04 0.00 -1.10 0.00 0.00 60.65 58.02 1q82 s ILE 61 Cb -0.14 -1.64 -0.02 0.00 -1.06 0.00 0.00 42.46 39.60 1q82 s ILE 61 CO 0.02 -0.04 -0.13 -0.69 -0.10 0.00 0.00 174.94 173.99 1q82 s VAL 62 N -1.18 1.02 -0.09 2.92 1.01 -1.26 -0.23 120.40 122.59 1q82 s VAL 62 Ca 0.08 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1q82 s VAL 62 Cb -0.10 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1q82 s VAL 62 CO 0.05 0.12 0.29 -0.69 0.00 0.00 0.00 175.10 174.87 1q82 s VAL 63 N -0.59 0.01 -0.12 2.92 1.01 -0.22 -2.33 120.40 121.07 1q82 s VAL 63 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1q82 s VAL 63 Cb -0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1q82 s VAL 63 CO 0.00 -0.06 0.24 -0.60 0.00 0.00 0.00 175.10 174.69 1q82 s ARG 64 N -0.13 3.92 -0.05 2.72 3.52 -0.47 0.53 118.95 129.00 1q82 s ARG 64 Ca -0.03 0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1q82 s ARG 64 Cb -0.03 -3.31 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1q82 s ARG 64 CO 0.01 0.51 -0.18 0.08 -0.81 0.00 0.00 175.30 174.91 1q82 s VAL 65 N -0.32 1.50 -0.19 7.11 1.01 0.22 -1.61 120.40 128.11 1q82 s VAL 65 Ca 0.16 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1q82 s VAL 65 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1q82 s VAL 65 CO 0.05 0.43 -0.01 0.00 0.00 0.00 0.00 175.10 175.56 1q82 s ALA 66 N 0.03 3.02 0.07 5.51 0.00 -0.48 -2.25 121.76 127.65 1q82 s ALA 66 Ca -0.04 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1q82 s ALA 66 Cb -0.12 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1q82 s ALA 66 CO 0.02 -0.04 -0.21 0.42 0.00 0.00 0.00 175.76 175.96 1q82 s ILE 67 N 0.80 1.66 0.47 0.00 -1.09 -0.83 -4.85 121.20 117.36 1q82 s ILE 67 Ca -0.00 -1.34 -0.22 0.00 -2.23 0.00 0.00 60.65 56.86 1q82 s ILE 67 Cb -0.14 -1.48 -0.07 0.00 -1.58 0.00 0.00 42.46 39.19 1q82 s ILE 67 CO 0.02 0.08 1.15 0.00 -1.23 0.00 0.00 174.94 174.96 1q82 s ARG 68 N -1.49 3.69 0.72 2.79 3.03 -1.26 -1.75 118.95 124.68 1q82 s ARG 68 Ca 0.07 1.73 -0.09 0.00 2.03 0.00 0.00 55.73 59.46 1q82 s ARG 68 Cb -0.09 -2.33 0.05 0.00 -1.03 0.00 0.00 34.95 31.55 1q82 s ARG 68 CO 0.03 -0.60 1.06 0.15 -1.13 0.00 0.00 175.30 174.82 1q82 s LYS 69 N -2.81 2.35 0.33 3.89 1.02 0.28 -4.83 119.74 119.97 1q82 s LYS 69 Ca 0.65 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1q82 s LYS 69 Cb -0.27 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1q82 s LYS 69 CO 0.33 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 173.93 1q82 n GLY 70 N -3.01 -1.80 2.83 -3.33 0.00 -1.26 -5.03 105.19 93.59 1q82 n GLY 70 Ca 0.07 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 1q82 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q82 n SER 71 N 0.25 -1.35 -4.71 1.61 3.41 -1.26 -4.96 113.62 106.61 1q82 n SER 71 Ca 0.00 -1.12 -0.43 0.00 -0.26 0.00 0.00 58.87 57.06 1q82 n SER 71 Cb 0.00 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.13 1q82 n SER 71 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q82 n SER 72 N -4.26 3.47 -4.46 4.04 2.88 -1.12 -4.89 113.62 109.29 1q82 n SER 72 Ca 0.12 1.12 -0.44 0.00 -1.33 0.00 0.00 58.87 58.34 1q82 n SER 72 Cb 0.46 -1.52 -0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1q82 n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1q82 s ARG 73 N 0.05 4.02 -0.35 -1.46 3.00 -1.26 -4.90 118.95 118.06 1q82 s ARG 73 Ca 0.69 -2.47 -0.06 0.00 0.00 0.00 0.00 55.73 53.90 1q82 s ARG 73 Cb -0.57 -5.05 0.05 0.00 0.00 0.00 0.00 34.95 29.39 1q82 s ARG 73 CO 0.44 -1.77 0.11 0.50 0.00 0.00 0.00 175.30 174.58 1q82 s ARG 74 N 1.74 2.53 0.12 3.54 3.52 -1.26 -5.10 118.95 124.04 1q82 s ARG 74 Ca 0.41 -1.28 -0.34 0.00 -0.13 0.00 0.00 55.73 54.39 1q82 s ARG 74 Cb -0.03 -3.46 -0.14 0.00 -1.56 0.00 0.00 34.95 29.76 1q82 s ARG 74 CO -0.01 -0.72 1.57 2.41 -0.81 0.00 0.00 175.30 177.73 1q82 n THR 75 N 4.77 0.06 -2.18 4.11 -1.04 -1.26 -4.78 114.28 113.96 1q82 n THR 75 Ca -0.11 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.51 1q82 n THR 75 Cb 0.44 -1.44 -0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1q82 n THR 75 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1q82 s ARG 76 N 1.16 3.66 0.08 -2.82 3.52 -1.26 -4.96 118.95 118.33 1q82 s ARG 76 Ca 0.81 1.85 -0.35 0.00 -0.13 0.00 0.00 55.73 57.91 1q82 s ARG 76 Cb -0.74 -2.39 -0.15 0.00 -1.56 0.00 0.00 34.95 30.12 1q82 s ARG 76 CO 0.41 -0.65 1.52 1.97 -0.81 0.00 0.00 175.30 177.74 1q82 n PHE 77 N -0.57 1.95 1.12 5.12 1.16 -1.26 -4.94 117.46 120.05 1q82 n PHE 77 Ca 0.08 0.41 0.11 0.00 -1.87 0.00 0.00 57.45 56.19 1q82 n PHE 77 Cb 0.47 -2.46 0.36 0.00 -1.61 0.00 0.00 39.48 36.24 1q82 n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1q82 n ASN 78 N 3.47 2.00 -2.16 5.98 4.13 -1.26 -4.96 115.26 122.45 1q82 n ASN 78 Ca 0.19 -1.74 -0.09 0.00 1.68 0.00 0.00 54.58 54.62 1q82 n ASN 78 Cb 0.24 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 1q82 n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1q82 n LYS 79 N 0.54 0.34 -1.67 3.52 4.76 -1.26 -5.14 118.16 119.25 1q82 n LYS 79 Ca 0.17 -1.67 -0.48 0.00 -2.87 0.00 0.00 58.31 53.46 1q82 n LYS 79 Cb 0.39 1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 35.05 1q82 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q82 n GLY 80 N -0.33 1.19 2.94 0.72 0.00 -1.26 -5.00 105.19 103.45 1q82 n GLY 80 Ca 0.02 0.76 -0.14 0.00 0.00 0.00 0.00 46.02 46.65 1q82 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q82 s ARG 81 N 2.27 0.11 0.65 1.61 3.00 -1.26 -5.15 118.95 120.18 1q82 s ARG 81 Ca 0.86 0.48 -0.16 0.00 0.00 0.00 0.00 55.73 56.90 1q82 s ARG 81 Cb -0.73 -0.18 -0.00 0.00 0.00 0.00 0.00 34.95 34.04 1q82 s ARG 81 CO 0.46 -0.20 1.16 -0.98 0.00 0.00 0.00 175.30 175.74 1q82 s ARG 82 N 1.52 2.71 0.25 3.54 1.70 -1.26 -4.73 118.95 122.68 1q82 s ARG 82 Ca -0.06 1.63 -0.14 0.00 -0.47 0.00 0.00 55.73 56.70 1q82 s ARG 82 Cb -0.11 -1.92 0.33 0.00 -0.57 0.00 0.00 34.95 32.67 1q82 s ARG 82 CO -0.07 -1.37 1.56 0.66 -1.08 0.00 0.00 175.30 175.01 1q82 h SER 83 N 0.28 -1.20 -0.98 -2.89 4.64 -2.02 0.25 113.55 111.64 1q82 h SER 83 Ca -0.48 0.30 0.32 0.00 -0.47 0.00 0.00 61.79 61.46 1q82 h SER 83 Cb 1.28 0.69 -0.16 0.00 -0.31 0.00 0.00 62.40 63.89 1q82 h SER 83 CO 0.53 -0.30 0.46 0.50 -0.87 0.00 0.00 176.83 177.15 1q82 h LYS 84 N -0.01 0.20 -0.10 4.77 3.11 -2.04 -0.16 116.57 122.34 1q82 h LYS 84 Ca 0.40 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1q82 h LYS 84 Cb 0.65 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1q82 h LYS 84 CO -0.99 0.13 0.00 0.54 -2.81 0.00 0.00 179.45 176.33 1q82 n ARG 85 N -5.16 2.18 0.00 1.90 5.12 0.04 -4.29 116.66 116.45 1q82 n ARG 85 Ca 0.31 -1.73 0.15 0.00 -1.93 0.00 0.00 57.85 54.65 1q82 n ARG 85 Cb 0.98 -1.47 0.91 0.00 -1.16 0.00 0.00 32.46 31.72 1q82 n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1q82 n MET 86 N 1.06 0.94 -1.73 5.56 2.81 -0.07 -4.89 117.12 120.79 1q82 n MET 86 Ca 0.16 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.65 1q82 n MET 86 Cb 0.53 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.55 1q82 n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q82 n MET 87 N -1.01 2.11 0.00 0.03 -0.00 -1.26 -4.81 117.12 112.18 1q82 n MET 87 Ca 0.23 0.75 0.00 0.00 -0.00 0.00 0.00 57.70 58.68 1q82 n MET 87 Cb 0.11 -2.51 0.00 0.00 -0.00 0.00 0.00 33.22 30.82 1q82 n MET 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1q82 n VAL 88 N -0.18 0.00 0.00 3.17 0.31 -1.26 -4.85 118.33 115.52 1q82 n VAL 88 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1q82 n VAL 88 Cb 0.40 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 33.13 1q82 n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1q82 h ASN 89 N 0.00 -0.10 0.61 4.52 2.35 -1.90 -3.40 115.58 117.66 1q82 h ASN 89 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1q82 h ASN 89 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1q82 h ASN 89 CO 0.00 0.55 -0.07 0.54 -1.65 0.00 0.00 177.43 176.80 1q82 n ARG 90 N -4.82 0.36 -2.48 0.81 1.74 -1.26 -4.70 116.66 106.31 1q82 n ARG 90 Ca -0.07 -0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.60 1q82 n ARG 90 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 1q82 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q82 s ILE 91 N -2.68 3.63 0.02 0.55 1.01 -1.26 -4.98 121.20 117.49 1q82 s ILE 91 Ca 0.24 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1q82 s ILE 91 Cb 0.20 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1q82 s ILE 91 CO 0.50 -0.17 -0.03 0.42 0.00 0.00 0.00 174.94 175.66 1q82 s THR 92 N -1.87 0.11 0.95 2.92 -4.23 -1.26 -2.77 115.64 109.48 1q82 s THR 92 Ca 0.67 -0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1q82 s THR 92 Cb -0.19 -0.23 0.16 0.00 1.34 0.00 0.00 72.50 73.58 1q82 s THR 92 CO 0.23 -0.39 1.09 -0.13 -0.54 0.00 0.00 174.62 174.89 1q82 s ARG 93 N -1.16 0.79 0.00 3.99 1.81 -1.26 -4.84 118.95 118.28 1q82 s ARG 93 Ca -0.12 1.10 0.22 0.00 -1.72 0.00 0.00 55.73 55.21 1q82 s ARG 93 Cb -0.08 -1.73 0.52 0.00 -0.45 0.00 0.00 34.95 33.21 1q82 s ARG 93 CO -0.01 -2.64 1.44 1.63 -0.68 0.00 0.00 175.30 175.04 1q82 n LYS 94 N -4.20 2.26 -4.90 3.54 5.02 -1.26 -4.82 118.16 113.80 1q82 n LYS 94 Ca 0.08 -1.90 -0.33 0.00 -2.02 0.00 0.00 58.31 54.14 1q82 n LYS 94 Cb 0.54 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 1q82 n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1q82 s LYS 95 N -1.58 2.93 0.48 1.97 2.20 -1.26 -5.00 119.74 119.47 1q82 s LYS 95 Ca 0.36 -0.73 -0.18 0.00 -0.36 0.00 0.00 55.97 55.07 1q82 s LYS 95 Cb 0.21 -2.46 -0.09 0.00 -1.51 0.00 0.00 37.83 33.98 1q82 s LYS 95 CO 0.30 0.39 0.96 0.54 -0.36 0.00 0.00 175.35 177.18 1q82 s ASN 96 N -0.13 6.72 0.39 1.43 4.22 -1.26 -4.91 114.94 121.39 1q82 s ASN 96 Ca -0.02 1.58 0.16 0.00 -2.14 0.00 0.00 52.86 52.45 1q82 s ASN 96 Cb -0.14 -2.51 1.04 0.00 1.28 0.00 0.00 41.25 40.92 1q82 s ASN 96 CO 0.04 -0.50 1.79 0.40 -2.04 0.00 0.00 177.10 176.78 1q82 h ILE 97 N 1.25 0.59 -0.57 0.54 2.04 -1.98 0.45 117.51 119.83 1q82 h ILE 97 Ca -0.47 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1q82 h ILE 97 Cb 1.18 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1q82 h ILE 97 CO 0.61 0.08 0.34 -0.61 0.00 0.00 0.00 178.15 178.57 1q82 h GLN 98 N 0.46 0.76 -0.16 2.37 4.15 -2.00 -0.81 115.11 119.88 1q82 h GLN 98 Ca 0.57 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.77 1q82 h GLN 98 Cb 1.34 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1q82 h GLN 98 CO -0.29 0.54 -0.55 -0.09 -1.93 0.00 0.00 178.83 176.51 1q82 h ARG 99 N 0.78 0.47 -0.15 1.69 2.43 -0.48 -2.19 114.38 116.92 1q82 h ARG 99 Ca 0.20 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1q82 h ARG 99 Cb -0.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1q82 h ARG 99 CO -0.04 0.90 0.07 0.82 -1.51 0.00 0.00 179.97 180.20 1q82 h ILE 100 N 0.36 1.14 -0.02 1.20 2.04 -0.86 -2.24 117.51 119.13 1q82 h ILE 100 Ca 0.01 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1q82 h ILE 100 Cb 1.08 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 1q82 h ILE 100 CO 0.10 0.13 -0.49 0.00 0.00 0.00 0.00 178.15 177.90 1q82 h ALA 101 N 0.92 -0.81 -0.81 1.87 0.00 -0.94 -0.18 119.26 119.31 1q82 h ALA 101 Ca 0.05 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1q82 h ALA 101 Cb 0.15 0.87 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1q82 h ALA 101 CO -0.01 -1.04 0.02 0.93 0.00 0.00 0.00 179.25 179.16 1q82 h GLU 102 N -0.62 0.09 -0.43 0.00 5.08 -1.21 0.17 114.58 117.67 1q82 h GLU 102 Ca 0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1q82 h GLU 102 Cb 0.69 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1q82 h GLU 102 CO -0.36 0.06 0.11 0.93 -1.00 0.00 0.00 179.01 178.75 1q82 h GLU 103 N 0.10 0.69 -0.24 2.33 5.08 -0.68 0.02 114.58 121.87 1q82 h GLU 103 Ca 0.46 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1q82 h GLU 103 Cb 0.84 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1q82 h GLU 103 CO -0.72 0.70 0.14 0.00 -1.00 0.00 0.00 179.01 178.13 1q82 h ARG 104 N 0.56 0.33 -0.13 2.33 3.08 0.77 0.02 114.38 121.34 1q82 h ARG 104 Ca 0.14 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1q82 h ARG 104 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1q82 h ARG 104 CO 0.00 0.27 -0.02 0.00 -1.07 0.00 0.00 179.97 179.15 1q82 h ALA 105 N 1.04 0.10 -0.94 0.04 0.00 -0.59 -2.33 119.26 116.58 1q82 h ALA 105 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1q82 h ALA 105 Cb 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1q82 h ALA 105 CO -0.02 -0.47 0.62 -0.97 0.00 0.00 0.00 179.25 178.41 1q82 h ASN 106 N 0.02 1.03 -0.47 0.00 -0.73 -0.69 -1.48 115.58 113.26 1q82 h ASN 106 Ca 0.06 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.16 1q82 h ASN 106 Cb 0.09 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 1q82 h ASN 106 CO -0.12 0.71 0.09 0.03 -0.37 0.00 0.00 177.43 177.77 1q82 h ARG 107 N 1.20 0.83 -0.03 6.67 3.08 -0.60 -2.27 114.38 123.27 1q82 h ARG 107 Ca 0.37 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1q82 h ARG 107 Cb -0.02 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1q82 h ARG 107 CO -0.11 0.78 -0.03 0.87 -1.07 0.00 0.00 179.97 180.41 1q82 h LYS 108 N 0.79 0.04 -2.26 0.04 1.79 -0.75 -3.10 116.57 113.12 1q82 h LYS 108 Ca 0.17 -0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.02 1q82 h LYS 108 Cb 0.35 -0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 30.59 1q82 h LYS 108 CO 0.01 0.08 -0.52 1.19 -1.08 0.00 0.00 179.45 179.13 1q82 n PHE 109 N -4.48 3.77 -0.37 -1.35 3.01 -0.86 -4.96 117.46 112.22 1q82 n PHE 109 Ca -0.02 -3.99 0.32 0.00 1.01 0.00 0.00 57.45 54.76 1q82 n PHE 109 Cb 0.13 -0.57 0.53 0.00 -0.01 0.00 0.00 39.48 39.56 1q82 n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1q82 n PRO 110 N 0.36 -0.03 0.15 -1.08 -0.04 -1.17 -0.13 135.00 133.06 1q82 n PRO 110 Ca 0.31 0.98 0.10 0.00 -0.04 0.00 0.00 63.50 64.85 1q82 n PRO 110 Cb 0.39 -1.94 0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1q82 n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1q82 h ASN 111 N 0.00 0.00 -3.49 3.54 -1.07 -1.92 -3.47 115.58 109.17 1q82 h ASN 111 Ca 0.69 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 56.56 1q82 h ASN 111 Cb 2.24 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 38.50 1q82 h ASN 111 CO -0.36 0.08 0.03 -0.76 0.07 0.00 0.00 177.43 176.50 1q82 s LEU 112 N -5.82 3.84 -0.02 6.14 1.43 0.82 -4.54 118.68 120.53 1q82 s LEU 112 Ca 0.03 0.93 0.07 0.00 -1.03 0.00 0.00 54.13 54.13 1q82 s LEU 112 Cb 0.08 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1q82 s LEU 112 CO 0.74 -0.39 -0.23 -0.13 0.23 0.00 0.00 176.35 176.56 1q82 s ARG 113 N -4.06 1.98 -0.08 1.70 0.52 -0.59 -4.89 118.95 113.54 1q82 s ARG 113 Ca 0.48 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 1q82 s ARG 113 Cb -0.10 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 1q82 s ARG 113 CO 0.35 0.48 1.58 0.08 0.02 0.00 0.00 175.30 177.81 1q82 s VAL 114 N -0.48 3.71 -0.16 3.52 1.01 -1.26 -0.84 120.40 125.90 1q82 s VAL 114 Ca 0.07 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 1q82 s VAL 114 Cb -0.10 -3.56 -0.23 0.00 0.00 0.00 0.00 36.38 32.50 1q82 s VAL 114 CO -0.00 -0.08 0.29 -0.11 0.00 0.00 0.00 175.10 175.19 1q82 n LEU 115 N 7.05 2.30 0.00 3.92 -0.00 0.14 -4.79 117.00 125.61 1q82 n LEU 115 Ca 0.17 0.30 0.01 0.00 -0.00 0.00 0.00 56.01 56.49 1q82 n LEU 115 Cb 0.43 -1.05 0.01 0.00 -0.00 0.00 0.00 43.42 42.81 1q82 n LEU 115 CO 0.61 0.61 0.70 -3.20 -0.00 0.00 0.00 177.39 176.11 1q82 n ASN 116 N -3.90 -0.84 -3.51 1.96 2.85 -1.11 -4.73 115.26 105.98 1q82 n ASN 116 Ca -0.33 -1.22 -0.09 0.00 -0.11 0.00 0.00 54.58 52.83 1q82 n ASN 116 Cb 0.89 1.31 -0.03 0.00 1.24 0.00 0.00 39.78 43.19 1q82 n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1q82 s SER 117 N -2.84 -0.39 0.10 1.20 1.04 -1.26 -0.50 113.70 111.05 1q82 s SER 117 Ca 0.19 0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 1q82 s SER 117 Cb -0.01 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1q82 s SER 117 CO 0.00 -0.58 0.18 -0.72 0.98 0.00 0.00 173.24 173.10 1q82 s TYR 118 N -2.67 0.22 0.37 5.02 -0.85 -0.71 -4.96 117.35 113.78 1q82 s TYR 118 Ca 0.03 -0.65 -0.19 0.00 -0.52 0.00 0.00 57.07 55.73 1q82 s TYR 118 Cb -0.01 -0.09 -0.10 0.00 0.38 0.00 0.00 41.96 42.14 1q82 s TYR 118 CO -0.06 -0.55 0.87 0.45 -1.52 0.00 0.00 175.55 174.73 1q82 s SER 119 N -2.88 6.93 -0.14 -0.18 0.15 -1.26 -0.32 113.70 115.99 1q82 s SER 119 Ca 0.07 1.56 0.21 0.00 0.70 0.00 0.00 55.95 58.49 1q82 s SER 119 Cb 0.05 -2.48 0.46 0.00 -1.71 0.00 0.00 66.02 62.34 1q82 s SER 119 CO -0.09 -0.26 1.16 1.33 1.20 0.00 0.00 173.24 176.57 1q82 n VAL 120 N -0.37 0.95 -0.01 4.45 0.24 -0.14 -4.83 118.33 118.62 1q82 n VAL 120 Ca 0.05 -2.24 0.00 0.00 -2.04 0.00 0.00 64.34 60.11 1q82 n VAL 120 Cb 0.53 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1q82 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q82 n GLY 121 N -0.19 -4.21 3.53 7.63 0.00 -1.24 -4.77 105.19 105.94 1q82 n GLY 121 Ca 0.12 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1q82 n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q82 s GLU 122 N -0.96 0.72 0.00 1.61 -1.05 -1.26 -0.08 118.70 117.68 1q82 s GLU 122 Ca 0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1q82 s GLU 122 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1q82 s GLU 122 CO 0.00 -0.29 0.00 -0.40 0.95 0.00 0.00 175.26 175.52 1q82 n ASP 123 N 0.05 0.11 -0.02 0.83 5.68 -1.14 -4.98 116.55 117.08 1q82 n ASP 123 Ca -0.08 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.22 1q82 n ASP 123 Cb 0.60 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.92 1q82 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q82 h GLY 124 N 0.00 0.62 0.00 6.12 0.00 -2.03 -3.35 103.07 104.43 1q82 h GLY 124 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1q82 h GLY 124 CO 0.00 0.29 0.00 -0.96 0.00 0.00 0.00 176.54 175.87 1q82 n ARG 125 N -4.36 0.23 -3.87 4.80 1.85 -1.26 -4.87 116.66 109.18 1q82 n ARG 125 Ca 0.03 -0.18 -0.24 0.00 -1.00 0.00 0.00 57.85 56.46 1q82 n ARG 125 Cb 0.16 -0.63 -0.04 0.00 -1.05 0.00 0.00 32.46 30.90 1q82 n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1q82 s HIS 126 N -0.08 2.34 -0.15 2.89 3.76 -1.26 0.10 115.29 122.89 1q82 s HIS 126 Ca 0.00 -0.63 -0.12 0.00 -0.15 0.00 0.00 55.06 54.16 1q82 s HIS 126 Cb 0.00 -2.02 0.04 0.00 1.11 0.00 0.00 32.58 31.72 1q82 s HIS 126 CO 0.00 -0.11 0.38 0.15 -0.85 0.00 0.00 174.74 174.30 1q82 s LYS 127 N -4.09 0.41 -0.02 1.40 1.02 -0.71 -2.88 119.74 114.86 1q82 s LYS 127 Ca 0.41 0.60 0.06 0.00 0.02 0.00 0.00 55.97 57.06 1q82 s LYS 127 Cb -0.00 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1q82 s LYS 127 CO 0.24 -0.09 -0.19 -1.58 -0.92 0.00 0.00 175.35 172.81 1q82 s TRP 128 N 0.61 1.74 0.02 3.18 0.51 0.88 -1.96 118.94 123.92 1q82 s TRP 128 Ca -0.03 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.60 1q82 s TRP 128 Cb -0.05 -1.13 -0.01 0.00 -0.81 0.00 0.00 33.47 31.47 1q82 s TRP 128 CO -0.04 -0.06 -0.05 -1.01 -0.51 0.00 0.00 176.95 175.28 1q82 s HIS 129 N -0.36 0.47 -0.20 -1.98 3.76 -0.95 -0.96 115.29 115.07 1q82 s HIS 129 Ca 0.05 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1q82 s HIS 129 Cb -0.08 -0.30 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 1q82 s HIS 129 CO -0.00 -0.07 0.03 -1.21 -0.85 0.00 0.00 174.74 172.64 1q82 s GLU 130 N -0.96 3.75 -0.15 1.40 2.02 0.56 -0.61 118.70 124.72 1q82 s GLU 130 Ca -0.06 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 1q82 s GLU 130 Cb -0.07 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1q82 s GLU 130 CO -0.00 0.10 0.10 0.08 0.02 0.00 0.00 175.26 175.56 1q82 s VAL 131 N 0.81 5.14 -0.36 2.63 1.01 0.19 -1.73 120.40 128.09 1q82 s VAL 131 Ca 0.02 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1q82 s VAL 131 Cb -0.14 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1q82 s VAL 131 CO 0.02 0.54 0.22 -0.63 0.00 0.00 0.00 175.10 175.26 1q82 s ILE 132 N -0.40 4.92 0.29 2.22 1.01 0.34 -1.06 121.20 128.52 1q82 s ILE 132 Ca 0.11 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1q82 s ILE 132 Cb -0.12 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1q82 s ILE 132 CO 0.02 -0.12 0.20 -0.76 0.00 0.00 0.00 174.94 174.28 1q82 s LEU 133 N 1.64 3.63 -0.01 2.97 1.02 0.67 0.24 118.68 128.84 1q82 s LEU 133 Ca 0.04 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.79 1q82 s LEU 133 Cb -0.18 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.85 1q82 s LEU 133 CO 0.08 -0.16 -0.04 -0.63 0.02 0.00 0.00 176.35 175.62 1q82 s ILE 134 N -2.24 0.39 -0.80 -0.59 -1.09 -0.02 -1.35 121.20 115.50 1q82 s ILE 134 Ca 0.36 -0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 58.41 1q82 s ILE 134 Cb -0.07 -0.36 0.10 0.00 -1.58 0.00 0.00 42.46 40.56 1q82 s ILE 134 CO 0.25 0.13 1.04 -0.62 -1.23 0.00 0.00 174.94 174.51 1q82 s ASP 135 N 0.17 6.41 0.00 3.58 -1.08 0.14 -1.54 116.67 124.34 1q82 s ASP 135 Ca -0.02 -1.56 0.04 0.00 -0.52 0.00 0.00 52.55 50.50 1q82 s ASP 135 Cb -0.05 -2.40 0.23 0.00 -1.46 0.00 0.00 42.92 39.23 1q82 s ASP 135 CO -0.00 -1.23 0.85 -0.81 0.52 0.00 0.00 175.17 174.49 1q82 n PRO 136 N 7.06 0.09 0.00 4.34 -0.04 -1.26 -2.23 135.00 142.96 1q82 n PRO 136 Ca 0.10 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 1q82 n PRO 136 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1q82 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1q82 n ASP 137 N -1.15 1.25 -4.62 3.54 8.00 -1.26 -4.74 116.55 117.57 1q82 n ASP 137 Ca 0.02 -1.13 -0.40 0.00 0.71 0.00 0.00 54.79 54.00 1q82 n ASP 137 Cb 0.02 0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 41.59 1q82 n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1q82 s HIS 138 N -1.60 3.26 1.06 1.24 2.46 -0.95 -4.98 115.29 115.78 1q82 s HIS 138 Ca 0.09 0.69 -0.12 0.00 0.47 0.00 0.00 55.06 56.20 1q82 s HIS 138 Cb 0.10 -2.81 0.22 0.00 -0.13 0.00 0.00 32.58 29.96 1q82 s HIS 138 CO 0.32 -0.33 1.03 -0.35 -2.47 0.00 0.00 174.74 172.95 1q82 n PRO 139 N 5.65 -1.54 0.00 2.88 -0.04 -1.26 -1.76 135.00 138.93 1q82 n PRO 139 Ca -0.02 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1q82 n PRO 139 Cb 0.49 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1q82 n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q82 n ALA 140 N -4.63 0.00 -0.07 0.55 0.00 -1.26 -4.48 120.51 110.62 1q82 n ALA 140 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1q82 n ALA 140 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1q82 n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q82 n ILE 141 N -0.53 0.75 -0.05 0.00 5.41 -0.72 -3.52 119.36 120.70 1q82 n ILE 141 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 62.75 63.52 1q82 n ILE 141 Cb 0.00 -1.05 0.40 0.00 -0.71 0.00 0.00 39.64 38.28 1q82 n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1q82 h LYS 142 N -0.06 0.61 -0.23 0.38 1.57 -1.67 -1.78 116.57 115.39 1q82 h LYS 142 Ca -0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1q82 h LYS 142 Cb 1.43 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1q82 h LYS 142 CO -0.07 0.40 0.00 0.43 -0.57 0.00 0.00 179.45 179.65 1q82 n SER 143 N -4.47 2.40 -4.59 0.86 7.64 -1.26 -4.69 113.62 109.51 1q82 n SER 143 Ca 0.05 -1.83 -0.41 0.00 1.01 0.00 0.00 58.87 57.69 1q82 n SER 143 Cb 0.09 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.08 1q82 n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q82 s ASP 144 N -1.58 6.49 0.00 6.43 -1.08 -0.67 -4.88 116.67 121.37 1q82 s ASP 144 Ca 0.34 0.35 0.05 0.00 -0.52 0.00 0.00 52.55 52.77 1q82 s ASP 144 Cb 0.20 -2.34 0.26 0.00 -1.46 0.00 0.00 42.92 39.58 1q82 s ASP 144 CO 0.29 -0.54 0.96 0.47 0.52 0.00 0.00 175.17 176.87 1q82 n ASP 145 N 5.98 0.00 -0.02 -0.34 8.00 -1.26 -0.70 116.55 128.21 1q82 n ASP 145 Ca -0.01 0.16 0.04 0.00 0.71 0.00 0.00 54.79 55.70 1q82 n ASP 145 Cb 0.49 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1q82 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q82 n GLN 146 N -1.24 3.77 0.00 -1.24 6.02 -1.26 -4.68 117.38 118.75 1q82 n GLN 146 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1q82 n GLN 146 Cb 0.04 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1q82 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1q82 n LEU 147 N -1.13 0.00 0.30 1.08 4.77 -1.02 -4.77 117.00 116.22 1q82 n LEU 147 Ca 0.02 -0.09 0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1q82 n LEU 147 Cb 0.15 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.01 1q82 n LEU 147 CO 0.18 0.00 1.13 0.77 -1.33 0.00 0.00 177.39 178.14 1q82 h SER 148 N 0.00 0.00 -0.07 -1.43 4.64 -0.89 -0.76 113.55 115.04 1q82 h SER 148 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1q82 h SER 148 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1q82 h SER 148 CO 0.00 0.00 0.01 4.11 -0.87 0.00 0.00 176.83 180.08 1q82 h TRP 149 N 0.00 0.19 0.00 4.77 5.08 -1.86 -1.12 115.95 123.01 1q82 h TRP 149 Ca 0.03 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1q82 h TRP 149 Cb 0.80 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.90 1q82 h TRP 149 CO 0.00 0.19 0.00 1.51 -1.28 0.00 0.00 178.44 178.86 1q82 n ILE 150 N -4.43 0.79 0.23 0.12 3.06 -0.29 -2.60 119.36 116.24 1q82 n ILE 150 Ca -0.01 0.15 0.11 0.00 -2.50 0.00 0.00 62.75 60.50 1q82 n ILE 150 Cb 0.15 -1.08 0.48 0.00 0.54 0.00 0.00 39.64 39.73 1q82 n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1q82 h SER 151 N 0.00 0.00 -3.21 9.51 0.02 -1.35 -3.44 113.55 115.08 1q82 h SER 151 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1q82 h SER 151 Cb 0.43 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.12 1q82 h SER 151 CO 0.00 0.17 0.07 0.54 -1.14 0.00 0.00 176.83 176.48 1q82 n ARG 152 N -3.31 1.09 -0.12 3.45 5.12 -1.07 -4.87 116.66 116.95 1q82 n ARG 152 Ca 0.00 0.40 -0.01 0.00 -1.93 0.00 0.00 57.85 56.32 1q82 n ARG 152 Cb 0.42 -2.03 0.25 0.00 -1.16 0.00 0.00 32.46 29.94 1q82 n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1q82 h THR 153 N 1.03 1.20 0.00 0.55 2.02 -1.91 -1.72 112.91 114.07 1q82 h THR 153 Ca -0.46 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1q82 h THR 153 Cb 1.35 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1q82 h THR 153 CO 0.54 0.24 0.01 0.54 0.37 0.00 0.00 175.52 177.21 1q82 n ARG 154 N -4.34 0.00 -0.21 6.66 1.74 -1.26 -1.41 116.66 117.84 1q82 n ARG 154 Ca 0.05 0.42 0.09 0.00 -0.77 0.00 0.00 57.85 57.64 1q82 n ARG 154 Cb 0.15 -1.51 0.21 0.00 -1.02 0.00 0.00 32.46 30.29 1q82 n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1q82 n HIS 155 N -1.42 0.56 -1.70 -1.55 8.25 -0.65 -4.94 115.22 113.79 1q82 n HIS 155 Ca 0.00 -0.37 -0.44 0.00 -0.26 0.00 0.00 57.72 56.65 1q82 n HIS 155 Cb 0.01 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1q82 n HIS 155 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q82 n ARG 156 N 1.14 2.46 -3.56 -0.41 1.74 -0.50 -2.39 116.66 115.14 1q82 n ARG 156 Ca 0.17 0.89 -0.26 0.00 -0.77 0.00 0.00 57.85 57.87 1q82 n ARG 156 Cb 0.52 -2.69 0.04 0.00 -1.02 0.00 0.00 32.46 29.31 1q82 n ARG 156 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1q82 n LEU 157 N 3.54 -2.65 -0.37 0.55 4.77 -1.26 -4.91 117.00 116.67 1q82 n LEU 157 Ca 0.16 -0.56 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 1q82 n LEU 157 Cb 0.32 -2.71 -0.09 0.00 -2.33 0.00 0.00 43.42 38.61 1q82 n LEU 157 CO 0.64 0.42 0.48 0.54 -1.33 0.00 0.00 177.39 178.14 1q82 n ARG 158 N -4.49 -0.39 -0.24 3.23 1.74 -1.01 -1.64 116.66 113.86 1q82 n ARG 158 Ca -0.01 1.44 0.03 0.00 -0.77 0.00 0.00 57.85 58.54 1q82 n ARG 158 Cb 0.56 -2.13 0.12 0.00 -1.02 0.00 0.00 32.46 29.99 1q82 n ARG 158 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1q82 h THR 159 N 0.00 0.35 0.00 0.55 1.35 -1.90 0.45 112.91 113.71 1q82 h THR 159 Ca 0.14 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1q82 h THR 159 Cb 0.36 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1q82 h THR 159 CO -0.83 0.01 0.00 0.49 -0.25 0.00 0.00 175.52 174.94 1q82 n PHE 160 N -5.39 0.00 0.24 4.73 3.01 -0.65 -0.26 117.46 119.14 1q82 n PHE 160 Ca 0.11 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.62 1q82 n PHE 160 Cb 0.41 -0.45 0.07 0.00 -0.01 0.00 0.00 39.48 39.50 1q82 n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1q82 n ARG 161 N -1.45 1.09 -1.14 -1.08 1.74 0.09 -4.97 116.66 110.93 1q82 n ARG 161 Ca 0.02 -1.34 -0.05 0.00 -0.77 0.00 0.00 57.85 55.71 1q82 n ARG 161 Cb 0.06 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1q82 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 162 N 0.50 0.76 0.00 -0.13 0.00 0.64 -4.90 105.19 102.06 1q82 n GLY 162 Ca 0.07 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1q82 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q82 n LEU 163 N -0.56 0.00 -4.68 0.99 4.77 -0.81 -2.97 117.00 113.73 1q82 n LEU 163 Ca -0.05 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1q82 n LEU 163 Cb 0.17 -0.14 0.22 0.00 -2.33 0.00 0.00 43.42 41.34 1q82 n LEU 163 CO 0.07 -0.03 0.69 0.28 -1.33 0.00 0.00 177.39 177.08 1q82 s THR 164 N -2.28 1.71 0.00 -5.08 -1.32 -1.26 -4.74 115.64 102.67 1q82 s THR 164 Ca 0.31 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1q82 s THR 164 Cb 0.17 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1q82 s THR 164 CO 0.33 0.00 0.87 -1.54 -2.21 0.00 0.00 174.62 172.07 1q82 n SER 165 N -4.49 0.00 0.16 8.08 3.41 -1.26 -0.88 113.62 118.64 1q82 n SER 165 Ca 0.13 0.87 0.16 0.00 -0.26 0.00 0.00 58.87 59.77 1q82 n SER 165 Cb 0.59 -0.37 0.74 0.00 -0.26 0.00 0.00 64.21 64.92 1q82 n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q82 h ALA 166 N -1.95 2.05 0.39 7.33 0.00 -1.94 -2.33 119.26 122.81 1q82 h ALA 166 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q82 h ALA 166 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1q82 h ALA 166 CO 0.00 -0.32 -0.31 0.78 0.00 0.00 0.00 179.25 179.40 1q82 h GLY 167 N 0.00 -1.00 0.78 0.00 0.00 -1.72 0.12 103.07 101.25 1q82 h GLY 167 Ca 0.11 0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.92 1q82 h GLY 167 CO -0.00 -0.33 0.39 3.21 0.00 0.00 0.00 176.54 179.81 1q82 h ARG 168 N -0.68 0.72 -0.24 4.80 3.08 -0.57 -1.27 114.38 120.22 1q82 h ARG 168 Ca -0.05 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.00 1q82 h ARG 168 Cb 0.57 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1q82 h ARG 168 CO 0.01 0.48 -0.02 0.00 -1.07 0.00 0.00 179.97 179.36 1q82 h ARG 169 N 0.74 0.05 0.00 0.04 3.08 -1.29 -0.16 114.38 116.83 1q82 h ARG 169 Ca 0.28 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1q82 h ARG 169 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1q82 h ARG 169 CO -0.14 0.03 -0.07 0.00 -1.07 0.00 0.00 179.97 178.72 1q82 n ARG 171 N -3.91 1.05 -0.95 0.00 1.74 -0.09 -4.89 116.66 109.61 1q82 n ARG 171 Ca -0.02 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1q82 n ARG 171 Cb 0.16 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1q82 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 172 N 0.95 0.49 0.49 -0.13 0.00 -0.79 -4.86 105.19 101.33 1q82 n GLY 172 Ca 0.21 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.91 1q82 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q82 n LEU 173 N 0.00 1.39 0.50 0.99 4.77 -1.14 -4.44 117.00 119.07 1q82 n LEU 173 Ca 0.00 -0.70 -0.19 0.00 -0.03 0.00 0.00 56.01 55.09 1q82 n LEU 173 Cb 0.00 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1q82 n LEU 173 CO 0.00 0.32 0.53 0.03 -1.33 0.00 0.00 177.39 176.94 1q82 h ARG 174 N 1.39 -1.22 -6.93 3.23 3.08 -1.84 -3.44 114.38 108.65 1q82 h ARG 174 Ca 0.00 0.08 -0.50 0.00 0.07 0.00 0.00 59.98 59.64 1q82 h ARG 174 Cb 0.38 0.28 0.03 0.00 0.08 0.00 0.00 29.97 30.74 1q82 h ARG 174 CO 0.01 -0.81 0.46 0.20 -1.07 0.00 0.00 179.97 178.76 1q82 s GLY 175 N -1.96 2.83 0.00 0.04 0.00 -1.26 -4.93 107.32 102.04 1q82 s GLY 175 Ca -0.18 0.83 0.21 0.00 0.00 0.00 0.00 44.72 45.58 1q82 s GLY 175 CO 0.55 1.32 0.95 -1.06 0.00 0.00 0.00 173.10 174.87 1q82 n GLN 176 N 0.15 0.19 0.00 2.90 6.02 -1.26 -4.75 117.38 120.63 1q82 n GLN 176 Ca 0.04 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1q82 n GLN 176 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1q82 n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q82 n GLY 177 N 1.49 4.14 2.42 1.08 0.00 -1.26 -4.96 105.19 108.10 1q82 n GLY 177 Ca 0.05 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1q82 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q82 n LYS 178 N 0.00 0.00 0.00 1.61 4.81 -1.26 -2.27 118.16 121.05 1q82 n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1q82 n LYS 178 Cb 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.34 1q82 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q82 n GLY 179 N 1.43 2.79 1.85 3.14 0.00 -1.26 -4.87 105.19 108.27 1q82 n GLY 179 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1q82 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q82 n SER 180 N 0.00 3.58 -0.19 1.61 3.41 -0.96 -4.53 113.62 116.53 1q82 n SER 180 Ca 0.00 -3.57 -0.09 0.00 -0.26 0.00 0.00 58.87 54.95 1q82 n SER 180 Cb 0.00 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.21 1q82 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1q82 h GLU 181 N 1.31 0.91 -0.71 4.33 3.07 -1.90 -2.78 114.58 118.82 1q82 h GLU 181 Ca 0.44 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1q82 h GLU 181 Cb 2.40 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.21 1q82 h GLU 181 CO 0.82 0.89 0.00 1.63 -1.40 0.00 0.00 179.01 180.95 1q82 n LYS 182 N -4.34 2.90 -0.08 2.33 4.76 -1.26 -4.49 118.16 117.97 1q82 n LYS 182 Ca 0.02 -2.65 -0.12 0.00 -2.87 0.00 0.00 58.31 52.69 1q82 n LYS 182 Cb 0.28 -1.63 -0.04 0.00 -1.84 0.00 0.00 35.03 31.79 1q82 n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1q82 n VAL 183 N 1.52 1.43 -2.89 -0.18 0.31 -1.07 -4.40 118.33 113.05 1q82 n VAL 183 Ca 0.25 0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.30 1q82 n VAL 183 Cb 0.67 -2.15 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 1q82 n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1q82 s ARG 184 N -2.70 4.31 0.00 5.55 3.52 -1.09 -2.09 118.95 126.45 1q82 s ARG 184 Ca -0.27 1.08 0.27 0.00 -0.13 0.00 0.00 55.73 56.68 1q82 s ARG 184 Cb 0.05 -2.49 0.81 0.00 -1.56 0.00 0.00 34.95 31.76 1q82 s ARG 184 CO 0.38 0.15 1.63 -0.35 -0.81 0.00 0.00 175.30 176.29 1q82 n PRO 185 N -0.06 0.03 -3.55 5.12 -0.04 -1.26 -4.88 135.00 130.35 1q82 n PRO 185 Ca 0.04 -0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1q82 n PRO 185 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1q82 n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1q82 s SER 186 N -2.98 -0.57 0.06 3.54 1.04 -0.89 -5.02 113.70 108.87 1q82 s SER 186 Ca 0.13 0.69 -0.26 0.00 0.48 0.00 0.00 55.95 56.98 1q82 s SER 186 Cb 0.18 0.56 -0.17 0.00 0.10 0.00 0.00 66.02 66.69 1q82 s SER 186 CO 0.63 -0.48 1.56 -0.07 0.98 0.00 0.00 173.24 175.86 1q82 h LEU 187 N 3.08 -0.28 -0.63 2.42 3.38 -1.81 -2.65 115.31 118.82 1q82 h LEU 187 Ca -0.25 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.74 1q82 h LEU 187 Cb 1.15 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1q82 h LEU 187 CO 0.33 -0.10 0.26 -0.09 0.09 0.00 0.00 178.44 178.93 1q82 h ARG 188 N -0.45 0.45 0.00 1.13 2.43 -1.92 0.69 114.38 116.70 1q82 h ARG 188 Ca -0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1q82 h ARG 188 Cb 0.34 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1q82 h ARG 188 CO 0.06 0.30 -0.09 -0.24 -1.51 0.00 0.00 179.97 178.48 1q82 h VAL 189 N 0.46 0.57 -0.63 0.20 3.04 -1.93 -1.66 116.25 116.29 1q82 h VAL 189 Ca 0.31 -0.40 -0.24 0.00 -1.01 0.00 0.00 66.70 65.37 1q82 h VAL 189 Cb 0.37 1.26 -0.14 0.00 -2.01 0.00 0.00 31.29 30.76 1q82 h VAL 189 CO -0.29 0.09 0.30 0.59 -1.01 0.00 0.00 177.57 177.25 1q82 n ASN 190 N -3.71 4.00 -0.24 3.17 3.02 -0.31 -4.88 115.26 116.31 1q82 n ASN 190 Ca -0.02 -3.02 -0.03 0.00 -0.03 0.00 0.00 54.58 51.48 1q82 n ASN 190 Cb 0.20 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.64 1q82 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q82 n GLY 191 N -0.26 0.41 2.84 7.41 0.00 -0.62 -3.59 105.19 111.38 1q82 n GLY 191 Ca 0.36 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1q82 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 192 N 1.06 -2.08 -1.55 4.61 0.00 0.08 -4.98 120.51 117.65 1q82 n ALA 192 Ca -0.03 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1q82 n ALA 192 Cb 0.41 -4.11 0.16 0.00 0.00 0.00 0.00 19.45 15.91 1q82 n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q82 n LYS 193 N -2.66 1.24 0.00 0.00 5.02 -1.24 -5.06 118.16 115.47 1q82 n LYS 193 Ca -0.05 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1q82 n LYS 193 Cb 0.58 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1q82 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88