#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n ARG 2 N 0.00 1.12 -2.14 0.00 1.74 -1.26 -4.95 116.66 111.17 1q86 n ARG 2 Ca 0.00 0.40 -0.28 0.00 -0.77 0.00 0.00 57.85 57.20 1q86 n ARG 2 Cb 0.00 -1.81 0.04 0.00 -1.02 0.00 0.00 32.46 29.67 1q86 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q86 s SER 3 N -0.73 5.43 0.20 0.55 1.04 -1.26 -4.94 113.70 113.98 1q86 s SER 3 Ca 0.62 0.88 -0.09 0.00 0.48 0.00 0.00 55.95 57.84 1q86 s SER 3 Cb -0.63 -1.75 0.11 0.00 0.10 0.00 0.00 66.02 63.85 1q86 s SER 3 CO 0.58 -1.26 1.72 0.00 0.98 0.00 0.00 173.24 175.26 1q86 h ALA 4 N -0.45 0.93 -0.51 5.32 0.00 -2.03 -2.83 119.26 119.69 1q86 h ALA 4 Ca -0.45 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.32 1q86 h ALA 4 Cb 1.26 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1q86 h ALA 4 CO 0.62 0.63 -0.05 1.88 0.00 0.00 0.00 179.25 182.33 1q86 h TYR 5 N 1.05 -0.13 0.00 0.00 0.99 -2.01 -1.13 116.97 115.73 1q86 h TYR 5 Ca 0.22 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.99 1q86 h TYR 5 Cb 0.35 0.14 0.00 0.00 1.00 0.00 0.00 36.73 38.21 1q86 h TYR 5 CO 0.03 -0.16 0.51 0.66 -0.00 0.00 0.00 178.16 179.19 1q86 h SER 6 N 0.06 0.00 0.08 3.88 4.64 -1.87 0.34 113.55 120.68 1q86 h SER 6 Ca 0.25 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.26 1q86 h SER 6 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1q86 h SER 6 CO -0.47 0.00 -1.72 -1.22 -0.87 0.00 0.00 176.83 172.55 1q86 n TYR 7 N -1.93 1.18 -0.14 4.77 4.02 -0.43 -2.41 117.16 122.21 1q86 n TYR 7 Ca -0.00 0.33 -0.03 0.00 -0.01 0.00 0.00 57.90 58.19 1q86 n TYR 7 Cb 0.52 -1.14 0.04 0.00 -0.02 0.00 0.00 39.34 38.74 1q86 n TYR 7 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1q86 h ILE 8 N -0.34 0.61 0.32 -0.72 2.04 -0.41 -0.03 117.51 118.99 1q86 h ILE 8 Ca -0.40 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1q86 h ILE 8 Cb 1.76 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1q86 h ILE 8 CO -0.02 0.02 -0.33 -0.09 0.00 0.00 0.00 178.15 177.72 1q86 h ARG 9 N 0.08 -0.66 -1.00 2.37 2.43 -1.58 -2.39 114.38 113.63 1q86 h ARG 9 Ca 0.23 0.04 0.22 0.00 -0.81 0.00 0.00 59.98 59.66 1q86 h ARG 9 Cb 0.35 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 1q86 h ARG 9 CO -0.41 -0.44 0.62 1.49 -1.51 0.00 0.00 179.97 179.72 1q86 h GLU 10 N -0.68 0.60 -0.18 0.20 4.57 -0.97 -0.74 114.58 117.38 1q86 h GLU 10 Ca -0.02 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 1q86 h GLU 10 Cb 0.62 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1q86 h GLU 10 CO -0.07 0.40 -0.52 0.00 -1.18 0.00 0.00 179.01 177.64 1q86 h ALA 11 N 1.66 0.76 0.00 2.92 0.00 -0.64 -3.09 119.26 120.87 1q86 h ALA 11 Ca 0.59 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q86 h ALA 11 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1q86 h ALA 11 CO -0.37 0.68 0.00 0.91 0.00 0.00 0.00 179.25 180.47 1q86 n TRP 12 N -3.97 0.00 0.12 0.00 7.02 -0.31 -3.07 117.44 117.24 1q86 n TRP 12 Ca -0.03 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.43 1q86 n TRP 12 Cb 0.58 -0.14 0.21 0.00 -2.42 0.00 0.00 31.31 29.54 1q86 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1q86 h LYS 13 N 0.00 0.14 -2.13 -0.99 1.57 -1.41 -3.32 116.57 110.44 1q86 h LYS 13 Ca 0.00 -0.08 -0.58 0.00 -1.87 0.00 0.00 60.65 58.12 1q86 h LYS 13 Cb 0.13 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.05 1q86 h LYS 13 CO 0.00 0.62 -0.91 0.54 -0.57 0.00 0.00 179.45 179.12 1q86 n ARG 14 N -3.95 1.30 0.00 3.15 1.74 -1.17 -4.97 116.66 112.76 1q86 n ARG 14 Ca -0.02 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.33 1q86 n ARG 14 Cb 0.53 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1q86 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1q86 n PRO 15 N 1.35 0.00 -0.08 5.56 -0.04 -1.25 -0.95 135.00 139.59 1q86 n PRO 15 Ca 0.24 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1q86 n PRO 15 Cb 0.48 -1.37 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 1q86 n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q86 n LYS 16 N -0.83 1.72 -4.05 0.54 5.02 -1.26 -4.09 118.16 115.21 1q86 n LYS 16 Ca 0.00 -1.55 -0.26 0.00 -2.02 0.00 0.00 58.31 54.47 1q86 n LYS 16 Cb 0.00 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1q86 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1q86 s GLU 17 N -0.90 2.26 0.00 1.97 0.41 -0.12 -4.81 118.70 117.51 1q86 s GLU 17 Ca 0.16 -2.00 0.00 0.00 -0.41 0.00 0.00 54.97 52.72 1q86 s GLU 17 Cb 0.09 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.44 1q86 s GLU 17 CO 0.12 -0.43 0.00 0.41 -0.49 0.00 0.00 175.26 174.88 1q86 n GLY 18 N -1.55 0.51 0.39 -1.39 0.00 -1.26 -1.76 105.19 100.13 1q86 n GLY 18 Ca -0.04 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 1q86 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1q86 h GLN 19 N 0.00 -0.65 -0.43 1.61 4.20 -1.98 -1.74 115.11 116.12 1q86 h GLN 19 Ca 0.00 0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.88 1q86 h GLN 19 Cb 0.00 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1q86 h GLN 19 CO 0.00 -0.44 0.72 0.97 -0.67 0.00 0.00 178.83 179.41 1q86 h ILE 20 N -0.68 0.13 -0.16 2.54 2.10 -1.92 0.79 117.51 120.31 1q86 h ILE 20 Ca 0.01 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 1q86 h ILE 20 Cb 0.67 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 36.77 1q86 h ILE 20 CO -0.17 0.00 0.01 0.00 -1.08 0.00 0.00 178.15 176.91 1q86 h ALA 21 N 0.97 0.21 -0.03 0.18 0.00 -0.47 -1.67 119.26 118.45 1q86 h ALA 21 Ca 0.20 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1q86 h ALA 21 Cb 1.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1q86 h ALA 21 CO -0.00 -0.10 -0.63 1.49 0.00 0.00 0.00 179.25 180.01 1q86 h GLU 22 N 0.03 0.12 -0.39 0.00 4.81 0.49 -2.55 114.58 117.09 1q86 h GLU 22 Ca 0.05 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1q86 h GLU 22 Cb 0.35 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1q86 h GLU 22 CO 0.01 0.71 0.20 -0.07 -0.73 0.00 0.00 179.01 179.12 1q86 h LEU 23 N 0.09 0.51 0.79 1.64 3.38 -1.07 -2.21 115.31 118.43 1q86 h LEU 23 Ca -0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1q86 h LEU 23 Cb 1.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1q86 h LEU 23 CO 0.09 0.48 -0.42 0.24 0.09 0.00 0.00 178.44 178.93 1q86 h MET 24 N 0.50 -1.07 -1.33 1.13 2.86 -1.18 0.18 114.93 116.03 1q86 h MET 24 Ca 0.14 0.07 0.39 0.00 -2.06 0.00 0.00 59.70 58.24 1q86 h MET 24 Cb 0.10 0.24 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 1q86 h MET 24 CO -0.02 -0.71 0.92 2.35 1.06 0.00 0.00 176.91 180.51 1q86 h TRP 25 N -1.11 0.24 0.00 -0.22 7.01 -1.39 -0.54 115.95 119.95 1q86 h TRP 25 Ca -0.11 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.90 1q86 h TRP 25 Cb 0.87 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1q86 h TRP 25 CO -0.05 -0.03 0.00 0.72 -2.79 0.00 0.00 178.44 176.29 1q86 n HIS 26 N -4.33 0.00 -0.27 2.65 8.25 -0.72 -4.20 115.22 116.59 1q86 n HIS 26 Ca 0.31 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.66 1q86 n HIS 26 Cb 1.35 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 31.92 1q86 n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q86 h ARG 27 N 0.00 -0.19 -1.00 -0.41 3.08 -0.01 -1.58 114.38 114.27 1q86 h ARG 27 Ca 0.00 0.01 0.40 0.00 0.07 0.00 0.00 59.98 60.47 1q86 h ARG 27 Cb 0.00 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 29.92 1q86 h ARG 27 CO 0.00 -0.12 0.53 0.52 -1.07 0.00 0.00 179.97 179.83 1q86 h MET 28 N -0.19 0.04 -0.85 0.04 2.86 -1.34 1.14 114.93 116.63 1q86 h MET 28 Ca 0.14 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1q86 h MET 28 Cb 0.52 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 1q86 h MET 28 CO -0.77 0.03 0.53 1.96 1.06 0.00 0.00 176.91 179.72 1q86 h GLN 29 N 0.04 0.94 -0.01 1.72 4.20 -1.45 0.65 115.11 121.21 1q86 h GLN 29 Ca 0.83 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 59.26 1q86 h GLN 29 Cb 2.15 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.72 1q86 h GLN 29 CO -0.75 0.62 -0.92 0.93 -0.67 0.00 0.00 178.83 178.04 1q86 h GLU 30 N 0.97 0.43 -0.56 1.46 5.08 0.11 -3.24 114.58 118.84 1q86 h GLU 30 Ca 0.37 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1q86 h GLU 30 Cb 0.16 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1q86 h GLU 30 CO -0.17 1.11 0.19 -1.49 -1.00 0.00 0.00 179.01 177.65 1q86 h TRP 31 N 0.25 0.88 0.00 4.33 6.55 0.19 -1.78 115.95 126.37 1q86 h TRP 31 Ca -0.08 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.68 1q86 h TRP 31 Cb 1.55 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 29.60 1q86 h TRP 31 CO 0.06 0.73 0.00 0.00 -1.05 0.00 0.00 178.44 178.18 1q86 h ARG 32 N 0.77 0.00 -0.03 0.49 3.08 0.24 0.20 114.38 119.13 1q86 h ARG 32 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1q86 h ARG 32 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1q86 h ARG 32 CO -0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.98 1q86 n ASN 33 N -2.48 2.69 -4.78 7.04 3.02 -0.71 -4.96 115.26 115.07 1q86 n ASN 33 Ca -0.01 -1.84 -0.23 0.00 -0.03 0.00 0.00 54.58 52.47 1q86 n ASN 33 Cb 0.07 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.32 1q86 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1q86 s GLU 34 N -1.66 1.97 0.18 3.52 2.02 0.71 -5.10 118.70 120.34 1q86 s GLU 34 Ca 0.24 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 1q86 s GLU 34 Cb 0.17 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 32.09 1q86 s GLU 34 CO 0.25 -1.23 0.25 -0.35 0.02 0.00 0.00 175.26 174.20 1q86 n PRO 35 N -2.72 -0.22 -0.09 0.39 -0.04 -1.26 -4.99 135.00 126.08 1q86 n PRO 35 Ca 0.12 -0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 63.08 1q86 n PRO 35 Cb 0.60 -0.25 -0.04 0.00 -0.04 0.00 0.00 33.50 33.77 1q86 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q86 h ALA 36 N -1.91 0.35 -3.44 0.55 0.00 -1.92 -3.42 119.26 109.47 1q86 h ALA 36 Ca -0.08 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.03 1q86 h ALA 36 Cb 0.22 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.54 1q86 h ALA 36 CO 0.06 0.09 -0.79 0.08 0.00 0.00 0.00 179.25 178.69 1q86 s VAL 37 N -4.96 1.27 -0.19 0.00 1.01 -1.26 -1.68 120.40 114.59 1q86 s VAL 37 Ca -0.14 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1q86 s VAL 37 Cb 0.08 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1q86 s VAL 37 CO 0.75 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 175.00 1q86 s VAL 38 N 1.54 2.01 0.33 2.92 1.01 -0.80 -4.99 120.40 122.42 1q86 s VAL 38 Ca -0.02 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1q86 s VAL 38 Cb -0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1q86 s VAL 38 CO -0.07 0.47 1.18 -0.60 0.00 0.00 0.00 175.10 176.08 1q86 s ARG 39 N 1.29 4.37 -0.02 2.72 3.52 -1.26 -1.32 118.95 128.25 1q86 s ARG 39 Ca 0.03 1.93 0.03 0.00 -0.13 0.00 0.00 55.73 57.60 1q86 s ARG 39 Cb -0.14 -2.98 -0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1q86 s ARG 39 CO -0.12 -0.07 -0.11 0.96 -0.81 0.00 0.00 175.30 175.15 1q86 s ILE 40 N -1.24 0.91 0.27 4.11 -4.36 -0.87 -4.91 121.20 115.11 1q86 s ILE 40 Ca 0.50 -0.45 -0.02 0.00 -0.26 0.00 0.00 60.65 60.41 1q86 s ILE 40 Cb -0.34 -0.78 0.27 0.00 1.25 0.00 0.00 42.46 42.86 1q86 s ILE 40 CO 0.44 0.27 1.90 -0.33 0.24 0.00 0.00 174.94 177.46 1q86 h GLU 41 N 6.16 1.14 -4.59 0.37 5.08 -1.96 -3.39 114.58 117.39 1q86 h GLU 41 Ca -0.33 -0.07 -0.35 0.00 -1.00 0.00 0.00 59.36 57.61 1q86 h GLU 41 Cb 1.17 -0.26 -0.27 0.00 0.50 0.00 0.00 28.75 29.89 1q86 h GLU 41 CO 0.49 0.75 -0.76 1.03 -1.00 0.00 0.00 179.01 179.52 1q86 s ARG 42 N -6.01 0.60 0.25 2.33 1.81 -1.26 -4.95 118.95 111.71 1q86 s ARG 42 Ca -0.12 -0.38 -0.31 0.00 -1.72 0.00 0.00 55.73 53.20 1q86 s ARG 42 Cb 0.20 -0.55 -0.12 0.00 -0.45 0.00 0.00 34.95 34.03 1q86 s ARG 42 CO 0.81 0.14 1.67 -2.14 -0.68 0.00 0.00 175.30 175.11 1q86 s PRO 43 N -0.48 4.12 0.46 3.54 0.02 -1.26 -4.92 135.00 136.48 1q86 s PRO 43 Ca 0.01 2.61 0.24 0.00 0.02 0.00 0.00 61.00 63.88 1q86 s PRO 43 Cb -0.04 -3.05 1.05 0.00 0.02 0.00 0.00 34.50 32.48 1q86 s PRO 43 CO -0.00 -0.71 1.89 1.15 -0.33 0.00 0.00 177.00 179.00 1q86 h THR 44 N 3.62 0.59 -2.95 0.99 2.02 -2.00 -3.31 112.91 111.86 1q86 h THR 44 Ca -0.45 -0.99 -0.61 0.00 0.77 0.00 0.00 66.41 65.13 1q86 h THR 44 Cb 1.21 1.66 -0.41 0.00 -1.74 0.00 0.00 68.15 68.87 1q86 h THR 44 CO 0.89 0.21 -0.65 -0.13 0.37 0.00 0.00 175.52 176.20 1q86 s ARG 45 N -3.80 2.14 0.22 6.66 0.52 -1.26 -4.98 118.95 118.45 1q86 s ARG 45 Ca -0.01 -3.08 -0.09 0.00 -0.52 0.00 0.00 55.73 52.04 1q86 s ARG 45 Cb 0.11 -3.03 0.33 0.00 0.52 0.00 0.00 34.95 32.89 1q86 s ARG 45 CO 0.63 -1.30 1.70 1.25 0.02 0.00 0.00 175.30 177.59 1q86 h LEU 46 N 5.48 -0.02 0.25 2.53 6.46 -1.99 -1.23 115.31 126.80 1q86 h LEU 46 Ca 0.16 0.12 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1q86 h LEU 46 Cb 0.79 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1q86 h LEU 46 CO 0.65 -0.01 -0.39 -2.24 -0.62 0.00 0.00 178.44 175.83 1q86 h ASP 47 N 0.25 -1.09 -0.31 1.25 2.03 -1.94 -2.25 116.42 114.38 1q86 h ASP 47 Ca 0.34 0.11 0.05 0.00 -0.73 0.00 0.00 57.03 56.80 1q86 h ASP 47 Cb 0.53 0.39 -0.08 0.00 -0.83 0.00 0.00 39.33 39.34 1q86 h ASP 47 CO -0.44 -0.50 -0.47 0.03 -1.03 0.00 0.00 179.24 176.84 1q86 h ARG 48 N -0.70 -0.40 0.14 4.15 2.47 -1.76 0.11 114.38 118.39 1q86 h ARG 48 Ca -0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1q86 h ARG 48 Cb 0.68 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 1q86 h ARG 48 CO -0.15 -0.27 -0.37 0.00 0.56 0.00 0.00 179.97 179.75 1q86 h ALA 49 N 0.17 -0.90 -0.82 0.04 0.00 -1.13 0.21 119.26 116.82 1q86 h ALA 49 Ca 0.10 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1q86 h ALA 49 Cb 0.61 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 1q86 h ALA 49 CO -0.52 -0.98 0.34 0.00 0.00 0.00 0.00 179.25 178.10 1q86 h ARG 50 N -0.56 0.43 -0.41 0.00 3.08 -1.27 0.77 114.38 116.41 1q86 h ARG 50 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1q86 h ARG 50 Cb 0.55 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1q86 h ARG 50 CO -0.17 0.28 0.26 1.03 -1.07 0.00 0.00 179.97 180.31 1q86 h SER 51 N 0.44 0.48 1.87 7.04 0.87 -0.07 -1.68 113.55 122.49 1q86 h SER 51 Ca 0.48 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1q86 h SER 51 Cb 0.80 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1q86 h SER 51 CO -0.46 0.36 0.00 -0.07 -0.53 0.00 0.00 176.83 176.13 1q86 h LEU 52 N 0.56 0.00 0.00 2.23 3.38 0.37 -3.47 115.31 118.39 1q86 h LEU 52 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1q86 h LEU 52 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1q86 h LEU 52 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1q86 n GLY 53 N 1.13 0.26 3.65 0.83 0.00 -0.02 -4.84 105.19 106.21 1q86 n GLY 53 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1q86 n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q86 n TYR 54 N 0.00 1.04 -3.66 1.61 9.36 -0.37 -4.91 117.16 120.23 1q86 n TYR 54 Ca 0.00 0.40 -0.12 0.00 3.32 0.00 0.00 57.90 61.51 1q86 n TYR 54 Cb 0.00 -2.12 -0.08 0.00 -0.63 0.00 0.00 39.34 36.51 1q86 n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1q86 s LYS 55 N -3.55 0.68 -0.97 2.98 1.02 -1.26 -4.33 119.74 114.32 1q86 s LYS 55 Ca 0.75 0.95 -0.24 0.00 0.02 0.00 0.00 55.97 57.45 1q86 s LYS 55 Cb -0.34 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.24 1q86 s LYS 55 CO 0.49 -0.11 1.63 0.00 -0.92 0.00 0.00 175.35 176.43 1q86 s ALA 56 N 0.80 2.34 0.19 5.17 0.00 -1.26 -4.81 121.76 124.18 1q86 s ALA 56 Ca -0.04 -1.95 -0.13 0.00 0.00 0.00 0.00 51.96 49.84 1q86 s ALA 56 Cb -0.05 -4.53 0.01 0.00 0.00 0.00 0.00 23.12 18.55 1q86 s ALA 56 CO -0.06 -4.04 0.41 0.21 0.00 0.00 0.00 175.76 172.28 1q86 s LYS 57 N 5.74 1.30 -0.06 0.00 2.20 -1.26 -5.12 119.74 122.52 1q86 s LYS 57 Ca 0.54 -1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 1q86 s LYS 57 Cb -0.03 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 1q86 s LYS 57 CO -0.06 -0.52 1.18 -0.65 -0.36 0.00 0.00 175.35 174.94 1q86 s GLN 58 N -3.93 4.36 0.00 4.03 -0.21 -1.26 -3.08 119.66 119.57 1q86 s GLN 58 Ca 0.14 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.16 1q86 s GLN 58 Cb 0.01 -3.56 0.00 0.00 1.00 0.00 0.00 33.01 30.46 1q86 s GLN 58 CO -0.00 -0.44 0.00 0.41 -2.12 0.00 0.00 175.29 173.14 1q86 n GLY 59 N 3.34 0.73 3.43 3.09 0.00 -1.26 -4.57 105.19 109.95 1q86 n GLY 59 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1q86 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q86 s ILE 60 N -2.00 3.92 0.19 -0.61 1.01 -1.18 0.10 121.20 122.62 1q86 s ILE 60 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.44 1q86 s ILE 60 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1q86 s ILE 60 CO 0.00 0.41 -0.24 -0.63 0.00 0.00 0.00 174.94 174.48 1q86 s ILE 61 N 1.17 2.33 0.04 2.92 1.09 -0.26 -4.85 121.20 123.64 1q86 s ILE 61 Ca 0.03 -2.00 0.03 0.00 -1.10 0.00 0.00 60.65 57.61 1q86 s ILE 61 Cb -0.14 -2.10 -0.02 0.00 -1.06 0.00 0.00 42.46 39.13 1q86 s ILE 61 CO 0.01 -0.10 -0.08 -0.69 -0.10 0.00 0.00 174.94 173.98 1q86 s VAL 62 N -1.60 0.61 -0.23 2.92 1.01 -1.26 -0.13 120.40 121.71 1q86 s VAL 62 Ca 0.20 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1q86 s VAL 62 Cb -0.08 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.72 1q86 s VAL 62 CO 0.09 -0.28 0.60 -0.69 0.00 0.00 0.00 175.10 174.82 1q86 s VAL 63 N -1.18 -0.00 -0.14 2.92 1.01 -0.48 -2.04 120.40 120.48 1q86 s VAL 63 Ca -0.07 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1q86 s VAL 63 Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1q86 s VAL 63 CO 0.01 0.00 0.45 -0.60 0.00 0.00 0.00 175.10 174.96 1q86 s ARG 64 N 0.63 4.31 -0.09 2.72 3.52 -0.43 0.42 118.95 130.02 1q86 s ARG 64 Ca -0.02 0.38 0.04 0.00 -0.13 0.00 0.00 55.73 56.00 1q86 s ARG 64 Cb -0.05 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1q86 s ARG 64 CO -0.04 0.13 -0.21 0.08 -0.81 0.00 0.00 175.30 174.45 1q86 s VAL 65 N 0.74 2.37 -0.13 7.11 1.01 0.30 -1.91 120.40 129.89 1q86 s VAL 65 Ca 0.24 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1q86 s VAL 65 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1q86 s VAL 65 CO 0.09 0.56 0.14 0.00 0.00 0.00 0.00 175.10 175.89 1q86 s ALA 66 N 0.09 3.84 0.01 5.51 0.00 -0.67 -2.28 121.76 128.25 1q86 s ALA 66 Ca -0.10 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1q86 s ALA 66 Cb -0.16 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1q86 s ALA 66 CO 0.06 0.54 -0.02 0.42 0.00 0.00 0.00 175.76 176.76 1q86 s ILE 67 N -0.79 0.06 0.51 0.00 -1.09 -0.75 -4.92 121.20 114.22 1q86 s ILE 67 Ca 0.14 -0.49 -0.20 0.00 -2.23 0.00 0.00 60.65 57.87 1q86 s ILE 67 Cb -0.12 -0.14 -0.07 0.00 -1.58 0.00 0.00 42.46 40.55 1q86 s ILE 67 CO 0.03 -0.27 1.11 0.00 -1.23 0.00 0.00 174.94 174.58 1q86 s ARG 68 N -0.78 3.57 0.65 2.79 3.03 -1.26 -1.90 118.95 125.05 1q86 s ARG 68 Ca -0.09 1.56 -0.03 0.00 2.03 0.00 0.00 55.73 59.21 1q86 s ARG 68 Cb -0.05 -2.11 0.06 0.00 -1.03 0.00 0.00 34.95 31.82 1q86 s ARG 68 CO -0.01 -0.66 0.92 0.15 -1.13 0.00 0.00 175.30 174.57 1q86 s LYS 69 N -3.15 2.21 0.03 3.89 1.02 0.76 -4.87 119.74 119.63 1q86 s LYS 69 Ca 0.69 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1q86 s LYS 69 Cb -0.22 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1q86 s LYS 69 CO 0.26 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 1q86 n GLY 70 N -2.69 -3.61 0.00 -3.33 0.00 -1.26 -5.02 105.19 89.28 1q86 n GLY 70 Ca 0.09 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1q86 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q86 n SER 71 N -0.06 -0.09 -4.74 1.61 3.41 -1.26 -4.98 113.62 107.51 1q86 n SER 71 Ca 0.00 -0.04 -0.40 0.00 -0.26 0.00 0.00 58.87 58.17 1q86 n SER 71 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1q86 n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1q86 s SER 72 N -1.53 7.57 -0.94 4.04 0.15 -1.07 -4.88 113.70 117.05 1q86 s SER 72 Ca 0.00 1.87 -0.23 0.00 0.70 0.00 0.00 55.95 58.29 1q86 s SER 72 Cb 0.00 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 1q86 s SER 72 CO 0.00 0.05 1.36 -0.13 1.20 0.00 0.00 173.24 175.72 1q86 s ARG 73 N -0.62 3.50 0.01 5.44 3.00 -1.26 -4.96 118.95 124.07 1q86 s ARG 73 Ca 0.44 -1.03 0.05 0.00 0.00 0.00 0.00 55.73 55.20 1q86 s ARG 73 Cb -0.25 -5.04 -0.03 0.00 0.00 0.00 0.00 34.95 29.63 1q86 s ARG 73 CO 0.31 -2.13 -0.14 0.50 0.00 0.00 0.00 175.30 173.84 1q86 s ARG 74 N 4.80 2.29 0.01 3.54 3.52 -1.26 -5.12 118.95 126.73 1q86 s ARG 74 Ca 0.41 -0.86 -0.16 0.00 -0.13 0.00 0.00 55.73 55.00 1q86 s ARG 74 Cb -0.03 -2.31 -0.06 0.00 -1.56 0.00 0.00 34.95 30.99 1q86 s ARG 74 CO -0.05 0.57 0.44 0.99 -0.81 0.00 0.00 175.30 176.45 1q86 s THR 75 N -0.91 4.98 0.75 4.11 2.01 -1.26 -4.99 115.64 120.32 1q86 s THR 75 Ca 0.15 0.92 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 1q86 s THR 75 Cb -0.11 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1q86 s THR 75 CO 0.05 0.56 1.08 -0.60 -0.69 0.00 0.00 174.62 175.02 1q86 s ARG 76 N -0.99 2.47 0.30 4.92 3.52 -1.26 -4.99 118.95 122.91 1q86 s ARG 76 Ca 0.25 0.94 -0.29 0.00 -0.13 0.00 0.00 55.73 56.49 1q86 s ARG 76 Cb -0.17 -1.94 -0.10 0.00 -1.56 0.00 0.00 34.95 31.18 1q86 s ARG 76 CO 0.14 -1.43 1.28 -0.59 -0.81 0.00 0.00 175.30 173.89 1q86 s PHE 77 N -3.02 3.17 -2.19 5.12 -0.12 -1.26 -4.95 117.98 114.73 1q86 s PHE 77 Ca 0.60 1.41 0.20 0.00 -0.05 0.00 0.00 56.93 59.10 1q86 s PHE 77 Cb -0.15 -3.61 0.36 0.00 -0.63 0.00 0.00 43.02 38.99 1q86 s PHE 77 CO 0.55 -1.67 1.31 0.09 -0.05 0.00 0.00 175.22 175.45 1q86 n ASN 78 N 1.25 3.22 -3.22 1.98 4.13 -1.26 -4.99 115.26 116.37 1q86 n ASN 78 Ca 0.01 -1.93 -0.17 0.00 1.68 0.00 0.00 54.58 54.17 1q86 n ASN 78 Cb 0.42 -0.21 -0.05 0.00 -1.54 0.00 0.00 39.78 38.40 1q86 n ASN 78 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1q86 s LYS 79 N -1.39 1.90 0.28 3.52 1.02 -1.26 -5.14 119.74 118.67 1q86 s LYS 79 Ca 0.34 -1.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.16 1q86 s LYS 79 Cb 0.20 0.41 -0.13 0.00 -0.52 0.00 0.00 37.83 37.79 1q86 s LYS 79 CO 0.28 -0.77 1.41 0.41 -0.92 0.00 0.00 175.35 175.76 1q86 n GLY 80 N -0.60 0.82 3.28 -3.33 0.00 -1.26 -5.02 105.19 99.09 1q86 n GLY 80 Ca 0.03 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1q86 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q86 s ARG 81 N -0.85 0.45 0.59 1.61 3.00 -1.26 -5.13 118.95 117.37 1q86 s ARG 81 Ca 0.64 0.57 -0.17 0.00 0.00 0.00 0.00 55.73 56.77 1q86 s ARG 81 Cb -0.60 0.20 -0.03 0.00 0.00 0.00 0.00 34.95 34.52 1q86 s ARG 81 CO 0.53 -0.06 1.09 -0.98 0.00 0.00 0.00 175.30 175.87 1q86 s ARG 82 N 0.32 3.21 0.25 3.54 1.70 -1.26 -4.77 118.95 121.93 1q86 s ARG 82 Ca -0.01 1.36 -0.09 0.00 -0.47 0.00 0.00 55.73 56.52 1q86 s ARG 82 Cb -0.03 -2.01 0.39 0.00 -0.57 0.00 0.00 34.95 32.72 1q86 s ARG 82 CO -0.01 -0.92 1.43 -1.13 -1.08 0.00 0.00 175.30 173.59 1q86 n SER 83 N -1.91 -0.38 -0.39 -2.89 3.41 -1.26 0.11 113.62 110.31 1q86 n SER 83 Ca 0.10 1.58 0.31 0.00 -0.26 0.00 0.00 58.87 60.61 1q86 n SER 83 Cb 0.52 -0.46 0.60 0.00 -0.26 0.00 0.00 64.21 64.62 1q86 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1q86 h LYS 84 N 0.00 0.20 -0.59 4.33 3.11 -2.04 -0.26 116.57 121.31 1q86 h LYS 84 Ca 0.42 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.25 1q86 h LYS 84 Cb 0.65 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1q86 h LYS 84 CO -0.94 0.13 0.00 0.54 -2.81 0.00 0.00 179.45 176.37 1q86 n ARG 85 N -4.60 2.66 -0.19 1.90 5.12 0.12 -4.32 116.66 117.35 1q86 n ARG 85 Ca 0.31 -2.46 0.03 0.00 -1.93 0.00 0.00 57.85 53.81 1q86 n ARG 85 Cb 1.20 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 31.12 1q86 n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1q86 n MET 86 N 1.42 1.86 -2.09 5.56 2.81 -0.11 -4.91 117.12 121.65 1q86 n MET 86 Ca 0.21 -0.97 -0.38 0.00 -1.81 0.00 0.00 57.70 54.75 1q86 n MET 86 Cb 0.58 -1.40 0.01 0.00 -0.71 0.00 0.00 33.22 31.70 1q86 n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q86 s MET 87 N -1.64 3.62 0.16 0.03 0.00 -1.26 -4.89 119.30 115.31 1q86 s MET 87 Ca 0.17 1.96 0.00 0.00 0.00 0.00 0.00 55.69 57.83 1q86 s MET 87 Cb 0.11 -2.42 0.00 0.00 0.00 0.00 0.00 34.83 32.52 1q86 s MET 87 CO 0.09 -0.72 0.00 0.28 0.00 0.00 0.00 175.02 174.67 1q86 n VAL 88 N -0.54 0.00 0.09 5.16 0.31 -1.26 -4.86 118.33 117.23 1q86 n VAL 88 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1q86 n VAL 88 Cb 0.46 -0.35 0.19 0.00 -0.91 0.00 0.00 33.84 33.24 1q86 n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1q86 h ASN 89 N 0.00 0.25 -0.02 4.52 2.35 -1.94 -3.31 115.58 117.43 1q86 h ASN 89 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1q86 h ASN 89 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1q86 h ASN 89 CO 0.00 0.69 -0.30 0.54 -1.65 0.00 0.00 177.43 176.71 1q86 n ARG 90 N -3.98 1.58 -2.21 0.81 1.74 -1.26 -4.91 116.66 108.42 1q86 n ARG 90 Ca -0.02 -1.22 -0.42 0.00 -0.77 0.00 0.00 57.85 55.42 1q86 n ARG 90 Cb 0.52 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 1q86 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q86 s ILE 91 N -2.15 3.54 0.07 0.55 1.01 -1.25 -4.98 121.20 118.00 1q86 s ILE 91 Ca 0.20 1.05 0.09 0.00 0.00 0.00 0.00 60.65 61.99 1q86 s ILE 91 Cb 0.17 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1q86 s ILE 91 CO 0.44 0.05 -0.24 0.42 0.00 0.00 0.00 174.94 175.61 1q86 s THR 92 N 1.62 1.99 0.60 2.92 -4.23 -1.26 -2.59 115.64 114.68 1q86 s THR 92 Ca 0.64 -1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 1q86 s THR 92 Cb -0.34 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1q86 s THR 92 CO 0.29 0.20 1.14 -0.13 -0.54 0.00 0.00 174.62 175.58 1q86 s ARG 93 N -1.52 3.07 0.00 3.99 1.81 -1.26 -4.89 118.95 120.15 1q86 s ARG 93 Ca 0.10 1.59 0.29 0.00 -1.72 0.00 0.00 55.73 55.99 1q86 s ARG 93 Cb -0.10 -1.97 1.32 0.00 -0.45 0.00 0.00 34.95 33.75 1q86 s ARG 93 CO 0.03 -1.08 1.93 1.63 -0.68 0.00 0.00 175.30 177.14 1q86 n LYS 94 N -1.75 0.39 -3.93 3.54 5.02 -1.26 -4.71 118.16 115.45 1q86 n LYS 94 Ca 0.12 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 1q86 n LYS 94 Cb 0.51 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 1q86 n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1q86 s LYS 95 N -2.65 3.52 0.58 1.97 2.20 -1.26 -4.99 119.74 119.10 1q86 s LYS 95 Ca 0.25 -0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 55.12 1q86 s LYS 95 Cb 0.20 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1q86 s LYS 95 CO 0.49 -0.13 1.13 0.54 -0.36 0.00 0.00 175.35 177.03 1q86 s ASN 96 N 1.35 5.49 0.35 1.43 4.22 -1.26 -4.82 114.94 121.70 1q86 s ASN 96 Ca 0.04 2.16 0.16 0.00 -2.14 0.00 0.00 52.86 53.09 1q86 s ASN 96 Cb -0.15 -2.58 1.15 0.00 1.28 0.00 0.00 41.25 40.96 1q86 s ASN 96 CO 0.00 -1.38 1.65 0.40 -2.04 0.00 0.00 177.10 175.74 1q86 h ILE 97 N 0.85 0.25 -0.20 0.54 2.04 -1.96 0.68 117.51 119.71 1q86 h ILE 97 Ca -0.49 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 1q86 h ILE 97 Cb 1.26 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1q86 h ILE 97 CO 0.56 0.05 -0.11 -0.61 0.00 0.00 0.00 178.15 178.04 1q86 h GLN 98 N 0.27 0.32 0.00 2.37 4.15 -1.99 -0.46 115.11 119.77 1q86 h GLN 98 Ca 0.75 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.95 1q86 h GLN 98 Cb 1.81 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 29.43 1q86 h GLN 98 CO -0.61 0.44 -0.70 -0.09 -1.93 0.00 0.00 178.83 175.94 1q86 h ARG 99 N 0.31 0.00 0.08 1.69 2.43 0.01 -1.57 114.38 117.33 1q86 h ARG 99 Ca 0.06 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1q86 h ARG 99 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1q86 h ARG 99 CO 0.02 0.70 -0.04 0.82 -1.51 0.00 0.00 179.97 179.96 1q86 h ILE 100 N 0.00 1.08 -0.20 1.20 2.04 -0.73 -2.35 117.51 118.55 1q86 h ILE 100 Ca -0.01 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1q86 h ILE 100 Cb 1.25 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 1q86 h ILE 100 CO 0.09 0.15 -0.43 0.00 0.00 0.00 0.00 178.15 177.96 1q86 h ALA 101 N 0.50 -0.56 -0.82 1.87 0.00 -0.97 0.12 119.26 119.39 1q86 h ALA 101 Ca -0.01 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1q86 h ALA 101 Cb 0.33 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 1q86 h ALA 101 CO 0.02 -0.92 0.32 0.93 0.00 0.00 0.00 179.25 179.61 1q86 h GLU 102 N -0.45 0.39 -0.08 0.00 5.08 -1.24 -1.10 114.58 117.18 1q86 h GLU 102 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1q86 h GLU 102 Cb 0.62 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1q86 h GLU 102 CO -0.44 0.26 -0.03 0.93 -1.00 0.00 0.00 179.01 178.73 1q86 h GLU 103 N 0.41 0.16 -0.45 2.33 5.08 -0.55 -1.52 114.58 120.03 1q86 h GLU 103 Ca 0.48 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 1q86 h GLU 103 Cb 0.83 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1q86 h GLU 103 CO -0.48 0.51 0.15 0.00 -1.00 0.00 0.00 179.01 178.20 1q86 h ARG 104 N -0.20 0.31 0.13 2.33 3.08 -0.22 -0.95 114.38 118.86 1q86 h ARG 104 Ca 0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1q86 h ARG 104 Cb 0.46 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1q86 h ARG 104 CO 0.01 0.21 -0.21 0.00 -1.07 0.00 0.00 179.97 178.91 1q86 h ALA 105 N 1.30 -0.37 -0.81 0.04 0.00 -1.21 -2.50 119.26 115.71 1q86 h ALA 105 Ca 0.21 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1q86 h ALA 105 Cb 0.22 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1q86 h ALA 105 CO -0.22 -0.74 0.42 -0.97 0.00 0.00 0.00 179.25 177.74 1q86 h ASN 106 N -0.40 0.54 -0.14 0.00 -0.73 -0.60 0.10 115.58 114.35 1q86 h ASN 106 Ca 0.02 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1q86 h ASN 106 Cb 0.41 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1q86 h ASN 106 CO -0.10 0.26 0.05 0.03 -0.37 0.00 0.00 177.43 177.31 1q86 h ARG 107 N 0.65 0.26 -0.01 6.67 3.08 -0.88 -1.62 114.38 122.53 1q86 h ARG 107 Ca 0.43 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.38 1q86 h ARG 107 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1q86 h ARG 107 CO -0.32 0.24 -0.31 0.87 -1.07 0.00 0.00 179.97 179.38 1q86 h LYS 108 N 0.27 0.02 -2.24 0.04 1.79 -0.37 -3.27 116.57 112.81 1q86 h LYS 108 Ca 0.07 -0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.92 1q86 h LYS 108 Cb 0.09 -0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.33 1q86 h LYS 108 CO -0.00 0.33 -0.51 1.19 -1.08 0.00 0.00 179.45 179.37 1q86 n PHE 109 N -4.17 3.62 -0.13 -1.35 3.01 -0.61 -4.96 117.46 112.87 1q86 n PHE 109 Ca -0.02 -4.06 0.25 0.00 1.01 0.00 0.00 57.45 54.63 1q86 n PHE 109 Cb 0.36 -0.59 0.44 0.00 -0.01 0.00 0.00 39.48 39.67 1q86 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1q86 h PRO 110 N 4.15 0.00 0.00 -1.08 0.13 -1.61 0.16 132.00 133.75 1q86 h PRO 110 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1q86 h PRO 110 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1q86 h PRO 110 CO 0.87 0.00 -1.29 0.27 -0.23 0.00 0.00 178.00 177.61 1q86 n ASN 111 N -3.23 0.61 -4.93 1.44 6.94 -1.26 -4.95 115.26 109.87 1q86 n ASN 111 Ca 0.19 0.23 -0.25 0.00 -0.02 0.00 0.00 54.58 54.74 1q86 n ASN 111 Cb 1.37 0.89 0.06 0.00 -2.36 0.00 0.00 39.78 39.75 1q86 n ASN 111 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1q86 s LEU 112 N -5.12 2.90 0.07 -4.53 1.43 0.56 -4.48 118.68 109.52 1q86 s LEU 112 Ca -0.03 0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1q86 s LEU 112 Cb 0.11 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1q86 s LEU 112 CO 0.82 -1.52 -0.16 -0.13 0.23 0.00 0.00 176.35 175.60 1q86 s ARG 113 N -5.16 0.92 -0.09 1.70 0.52 -0.85 -4.89 118.95 111.10 1q86 s ARG 113 Ca 0.60 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 54.55 1q86 s ARG 113 Cb -0.11 -0.99 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 1q86 s ARG 113 CO 0.43 0.23 1.00 0.08 0.02 0.00 0.00 175.30 177.06 1q86 s VAL 114 N -1.15 4.80 -0.21 3.52 1.01 -1.26 -0.81 120.40 126.30 1q86 s VAL 114 Ca 0.01 2.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.95 1q86 s VAL 114 Cb -0.10 -4.31 -0.20 0.00 0.00 0.00 0.00 36.38 31.78 1q86 s VAL 114 CO 0.02 0.03 0.02 -0.11 0.00 0.00 0.00 175.10 175.07 1q86 n LEU 115 N 4.82 2.52 0.00 3.92 -0.00 0.44 -4.85 117.00 123.86 1q86 n LEU 115 Ca 0.08 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1q86 n LEU 115 Cb 0.49 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1q86 n LEU 115 CO 0.52 0.75 0.00 -3.20 -0.00 0.00 0.00 177.39 175.46 1q86 n ASN 116 N -3.68 0.00 -3.51 1.96 2.85 -1.12 -4.71 115.26 107.05 1q86 n ASN 116 Ca -0.41 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 53.96 1q86 n ASN 116 Cb 0.95 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.95 1q86 n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1q86 s SER 117 N 0.00 -0.50 0.09 1.20 1.04 -1.26 -0.34 113.70 113.94 1q86 s SER 117 Ca 0.00 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 1q86 s SER 117 Cb 0.00 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1q86 s SER 117 CO 0.00 -1.03 0.32 -0.72 0.98 0.00 0.00 173.24 172.79 1q86 s TYR 118 N -3.75 -0.08 0.36 5.02 -0.85 -0.81 -4.98 117.35 112.27 1q86 s TYR 118 Ca 0.03 -0.20 -0.25 0.00 -0.52 0.00 0.00 57.07 56.13 1q86 s TYR 118 Cb -0.02 0.12 -0.09 0.00 0.38 0.00 0.00 41.96 42.35 1q86 s TYR 118 CO -0.09 -0.60 1.01 0.45 -1.52 0.00 0.00 175.55 174.80 1q86 s SER 119 N -2.58 7.02 -0.10 -0.18 0.15 -1.26 -0.86 113.70 115.89 1q86 s SER 119 Ca 0.01 1.96 0.17 0.00 0.70 0.00 0.00 55.95 58.79 1q86 s SER 119 Cb 0.02 -2.58 0.38 0.00 -1.71 0.00 0.00 66.02 62.13 1q86 s SER 119 CO -0.09 -0.30 1.18 1.33 1.20 0.00 0.00 173.24 176.56 1q86 n VAL 120 N 0.22 1.14 0.00 4.45 0.24 0.14 -4.83 118.33 119.69 1q86 n VAL 120 Ca 0.04 -2.04 0.00 0.00 -2.04 0.00 0.00 64.34 60.30 1q86 n VAL 120 Cb 0.50 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 1q86 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q86 n GLY 121 N -0.42 0.46 3.57 7.63 0.00 -1.24 -4.81 105.19 110.38 1q86 n GLY 121 Ca 0.12 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 1q86 n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q86 s GLU 122 N -1.02 0.77 0.00 1.61 -1.05 -1.26 -1.03 118.70 116.72 1q86 s GLU 122 Ca 0.00 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 1q86 s GLU 122 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1q86 s GLU 122 CO 0.00 -0.21 0.00 -0.40 0.95 0.00 0.00 175.26 175.60 1q86 n ASP 123 N 1.20 0.00 0.23 0.83 5.68 -1.22 -4.97 116.55 118.29 1q86 n ASP 123 Ca -0.14 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.25 1q86 n ASP 123 Cb 0.57 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.06 1q86 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q86 h GLY 124 N 0.00 0.00 0.00 6.12 0.00 -2.04 -3.38 103.07 103.77 1q86 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q86 h GLY 124 CO 0.00 0.00 -0.08 -0.96 0.00 0.00 0.00 176.54 175.50 1q86 n ARG 125 N -3.53 2.94 -2.84 4.80 1.85 -1.26 -4.94 116.66 113.68 1q86 n ARG 125 Ca -0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1q86 n ARG 125 Cb 0.38 -0.32 0.09 0.00 -1.05 0.00 0.00 32.46 31.57 1q86 n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1q86 s HIS 126 N -0.27 1.22 -0.29 2.89 3.76 -1.26 -0.17 115.29 121.17 1q86 s HIS 126 Ca 0.00 -0.59 -0.13 0.00 -0.15 0.00 0.00 55.06 54.19 1q86 s HIS 126 Cb 0.00 -2.56 0.13 0.00 1.11 0.00 0.00 32.58 31.26 1q86 s HIS 126 CO 0.00 -1.55 0.76 0.15 -0.85 0.00 0.00 174.74 173.24 1q86 s LYS 127 N -4.94 0.53 -0.04 1.40 1.02 -0.80 -3.40 119.74 113.51 1q86 s LYS 127 Ca 0.65 1.19 0.04 0.00 0.02 0.00 0.00 55.97 57.88 1q86 s LYS 127 Cb -0.05 0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 37.80 1q86 s LYS 127 CO 0.42 -0.16 -0.16 -1.58 -0.92 0.00 0.00 175.35 172.96 1q86 s TRP 128 N 2.39 2.65 0.00 3.18 0.51 -0.20 -1.81 118.94 125.66 1q86 s TRP 128 Ca -0.06 -0.20 0.02 0.00 -2.12 0.00 0.00 56.10 53.73 1q86 s TRP 128 Cb -0.09 -1.60 -0.01 0.00 -0.81 0.00 0.00 33.47 30.97 1q86 s TRP 128 CO -0.19 0.16 -0.05 -1.01 -0.51 0.00 0.00 176.95 175.36 1q86 s HIS 129 N -0.73 0.45 -0.21 -1.98 3.76 -0.97 -0.69 115.29 114.92 1q86 s HIS 129 Ca 0.12 -0.15 -0.09 0.00 -0.15 0.00 0.00 55.06 54.78 1q86 s HIS 129 Cb -0.11 -0.28 -0.05 0.00 1.11 0.00 0.00 32.58 33.25 1q86 s HIS 129 CO 0.01 -0.02 0.12 -1.21 -0.85 0.00 0.00 174.74 172.79 1q86 s GLU 130 N -0.35 4.06 -0.13 1.40 2.02 -0.04 -0.54 118.70 125.12 1q86 s GLU 130 Ca -0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1q86 s GLU 130 Cb -0.03 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1q86 s GLU 130 CO -0.00 0.17 0.02 0.08 0.02 0.00 0.00 175.26 175.55 1q86 s VAL 131 N 0.71 4.47 -0.25 2.63 1.01 0.17 -1.92 120.40 127.22 1q86 s VAL 131 Ca 0.06 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1q86 s VAL 131 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1q86 s VAL 131 CO 0.01 0.54 0.32 -0.63 0.00 0.00 0.00 175.10 175.35 1q86 s ILE 132 N -0.27 5.23 0.33 2.22 1.01 0.54 -1.38 121.20 128.88 1q86 s ILE 132 Ca 0.07 0.49 0.10 0.00 0.00 0.00 0.00 60.65 61.31 1q86 s ILE 132 Cb -0.12 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1q86 s ILE 132 CO 0.02 0.23 -0.09 -0.76 0.00 0.00 0.00 174.94 174.33 1q86 s LEU 133 N 1.66 2.78 -0.02 2.97 1.02 0.81 -0.42 118.68 127.48 1q86 s LEU 133 Ca 0.14 -1.09 0.01 0.00 0.02 0.00 0.00 54.13 53.21 1q86 s LEU 133 Cb -0.15 -1.14 0.01 0.00 0.02 0.00 0.00 46.19 44.93 1q86 s LEU 133 CO 0.09 -0.15 -0.04 -0.63 0.02 0.00 0.00 176.35 175.63 1q86 s ILE 134 N -2.55 0.44 -0.67 -0.59 -1.09 0.01 -1.10 121.20 115.65 1q86 s ILE 134 Ca 0.32 -0.15 -0.26 0.00 -2.23 0.00 0.00 60.65 58.34 1q86 s ILE 134 Cb -0.00 -0.43 0.04 0.00 -1.58 0.00 0.00 42.46 40.49 1q86 s ILE 134 CO 0.17 0.16 1.13 -0.62 -1.23 0.00 0.00 174.94 174.56 1q86 s ASP 135 N 0.40 6.23 0.00 3.58 -1.08 0.11 -2.02 116.67 123.90 1q86 s ASP 135 Ca -0.05 -0.52 0.13 0.00 -0.52 0.00 0.00 52.55 51.60 1q86 s ASP 135 Cb -0.08 -2.50 0.74 0.00 -1.46 0.00 0.00 42.92 39.62 1q86 s ASP 135 CO -0.00 -1.60 1.29 -0.81 0.52 0.00 0.00 175.17 174.57 1q86 n PRO 136 N 8.52 0.31 0.00 4.34 -0.04 -1.26 -2.64 135.00 144.22 1q86 n PRO 136 Ca 0.02 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1q86 n PRO 136 Cb 0.48 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1q86 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1q86 n ASP 137 N -1.14 1.33 -4.62 3.54 8.00 -1.26 -4.73 116.55 117.66 1q86 n ASP 137 Ca 0.08 -1.16 -0.40 0.00 0.71 0.00 0.00 54.79 54.02 1q86 n ASP 137 Cb 0.08 0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 41.58 1q86 n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1q86 s HIS 138 N -1.54 3.28 1.09 1.24 2.46 -1.08 -4.97 115.29 115.77 1q86 s HIS 138 Ca 0.10 0.71 -0.12 0.00 0.47 0.00 0.00 55.06 56.22 1q86 s HIS 138 Cb 0.10 -2.76 0.23 0.00 -0.13 0.00 0.00 32.58 30.02 1q86 s HIS 138 CO 0.30 -0.28 1.00 -0.35 -2.47 0.00 0.00 174.74 172.94 1q86 n PRO 139 N 5.54 -1.79 0.00 2.88 -0.04 -1.26 -1.60 135.00 138.74 1q86 n PRO 139 Ca -0.03 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1q86 n PRO 139 Cb 0.49 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1q86 n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q86 n ALA 140 N -4.72 0.00 0.00 0.55 0.00 -1.26 -4.47 120.51 110.61 1q86 n ALA 140 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1q86 n ALA 140 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1q86 n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q86 n ILE 141 N -2.00 0.00 0.17 0.00 5.41 -0.63 -3.98 119.36 118.34 1q86 n ILE 141 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.77 1q86 n ILE 141 Cb 0.00 -0.58 0.37 0.00 -0.71 0.00 0.00 39.64 38.72 1q86 n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1q86 h LYS 142 N 0.00 0.07 -0.01 0.38 1.57 -1.66 -2.61 116.57 114.31 1q86 h LYS 142 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1q86 h LYS 142 Cb 0.96 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1q86 h LYS 142 CO 0.00 0.37 -0.42 0.43 -0.57 0.00 0.00 179.45 179.25 1q86 n SER 143 N -4.16 1.37 -4.68 0.86 7.64 -1.26 -4.74 113.62 108.65 1q86 n SER 143 Ca -0.02 -1.09 -0.43 0.00 1.01 0.00 0.00 58.87 58.34 1q86 n SER 143 Cb 0.36 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 1q86 n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q86 s ASP 144 N -2.57 7.06 0.00 6.43 -1.08 -0.99 -4.90 116.67 120.62 1q86 s ASP 144 Ca 0.20 1.67 0.19 0.00 -0.52 0.00 0.00 52.55 54.08 1q86 s ASP 144 Cb 0.18 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 40.20 1q86 s ASP 144 CO 0.58 -0.63 1.53 0.47 0.52 0.00 0.00 175.17 177.65 1q86 n ASP 145 N 5.75 0.00 -0.07 -0.34 8.00 -1.26 -1.37 116.55 127.26 1q86 n ASP 145 Ca 0.12 -0.50 0.01 0.00 0.71 0.00 0.00 54.79 55.13 1q86 n ASP 145 Cb 0.46 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1q86 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q86 n GLN 146 N -1.04 2.57 0.00 -1.24 6.02 -1.26 -4.75 117.38 117.68 1q86 n GLN 146 Ca 0.13 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 1q86 n GLN 146 Cb 0.08 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1q86 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1q86 n LEU 147 N -0.41 0.00 0.29 1.08 4.77 -1.17 -4.82 117.00 116.75 1q86 n LEU 147 Ca 0.01 -0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1q86 n LEU 147 Cb 0.06 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.79 1q86 n LEU 147 CO 0.04 0.00 1.03 0.77 -1.33 0.00 0.00 177.39 177.90 1q86 h SER 148 N 0.00 0.00 0.26 -1.43 4.64 -1.21 -0.47 113.55 115.35 1q86 h SER 148 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1q86 h SER 148 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1q86 h SER 148 CO 0.00 0.00 -0.14 4.11 -0.87 0.00 0.00 176.83 179.93 1q86 h TRP 149 N 0.00 0.00 0.00 4.77 5.08 -1.87 -1.80 115.95 122.12 1q86 h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1q86 h TRP 149 Cb 0.75 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1q86 h TRP 149 CO 0.00 0.14 0.00 1.51 -1.28 0.00 0.00 178.44 178.81 1q86 n ILE 150 N -3.92 0.64 0.22 0.12 3.06 -0.18 -2.96 119.36 116.33 1q86 n ILE 150 Ca -0.02 -0.21 0.10 0.00 -2.50 0.00 0.00 62.75 60.11 1q86 n ILE 150 Cb 0.23 -0.67 0.41 0.00 0.54 0.00 0.00 39.64 40.15 1q86 n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1q86 h SER 151 N 0.00 0.00 -2.84 9.51 0.02 -1.48 -3.45 113.55 115.32 1q86 h SER 151 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1q86 h SER 151 Cb 0.69 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.35 1q86 h SER 151 CO 0.00 0.22 0.11 0.54 -1.14 0.00 0.00 176.83 176.56 1q86 n ARG 152 N -3.32 1.30 -0.19 3.45 5.12 -1.16 -4.88 116.66 116.99 1q86 n ARG 152 Ca 0.01 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1q86 n ARG 152 Cb 0.46 -1.95 0.25 0.00 -1.16 0.00 0.00 32.46 30.07 1q86 n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1q86 h THR 153 N 1.62 1.19 0.00 0.55 2.02 -1.91 -1.62 112.91 114.76 1q86 h THR 153 Ca -0.43 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1q86 h THR 153 Cb 1.34 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1q86 h THR 153 CO 0.57 0.20 0.03 0.54 0.37 0.00 0.00 175.52 177.23 1q86 n ARG 154 N -4.40 0.00 -0.17 6.66 1.74 -1.26 -1.30 116.66 117.93 1q86 n ARG 154 Ca 0.07 0.34 0.09 0.00 -0.77 0.00 0.00 57.85 57.58 1q86 n ARG 154 Cb 0.06 -1.53 0.17 0.00 -1.02 0.00 0.00 32.46 30.14 1q86 n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1q86 n HIS 155 N -1.33 0.43 -1.66 -1.55 8.25 -0.61 -4.97 115.22 113.79 1q86 n HIS 155 Ca 0.00 -0.30 -0.47 0.00 -0.26 0.00 0.00 57.72 56.69 1q86 n HIS 155 Cb 0.03 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 1q86 n HIS 155 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q86 n ARG 156 N 1.04 2.26 -3.17 -0.41 1.74 -0.42 -2.49 116.66 115.21 1q86 n ARG 156 Ca 0.15 0.81 -0.14 0.00 -0.77 0.00 0.00 57.85 57.90 1q86 n ARG 156 Cb 0.49 -2.75 0.07 0.00 -1.02 0.00 0.00 32.46 29.25 1q86 n ARG 156 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1q86 n LEU 157 N 7.34 -3.79 -0.20 0.55 4.77 -1.26 -4.95 117.00 119.47 1q86 n LEU 157 Ca 0.24 -0.52 0.01 0.00 -0.03 0.00 0.00 56.01 55.70 1q86 n LEU 157 Cb 0.32 -2.68 0.11 0.00 -2.33 0.00 0.00 43.42 38.84 1q86 n LEU 157 CO 0.72 0.30 0.91 0.03 -1.33 0.00 0.00 177.39 178.01 1q86 h ARG 158 N -1.52 0.23 0.03 3.23 3.08 -1.85 -2.91 114.38 114.68 1q86 h ARG 158 Ca -0.49 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.57 1q86 h ARG 158 Cb 1.28 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1q86 h ARG 158 CO 0.41 0.15 -0.23 1.79 -1.07 0.00 0.00 179.97 181.02 1q86 h THR 159 N 0.24 0.47 0.00 2.04 1.35 -1.90 -1.61 112.91 113.50 1q86 h THR 159 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1q86 h THR 159 Cb 0.48 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1q86 h THR 159 CO -0.42 0.00 0.03 0.49 -0.25 0.00 0.00 175.52 175.38 1q86 n PHE 160 N -5.35 0.52 -0.11 4.73 3.01 -1.10 -0.52 117.46 118.63 1q86 n PHE 160 Ca -0.05 0.27 0.04 0.00 1.01 0.00 0.00 57.45 58.72 1q86 n PHE 160 Cb 0.27 -0.91 0.12 0.00 -0.01 0.00 0.00 39.48 38.94 1q86 n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1q86 n ARG 161 N -2.04 2.77 -1.24 -1.08 1.74 -0.73 -4.98 116.66 111.10 1q86 n ARG 161 Ca -0.01 -1.89 -0.08 0.00 -0.77 0.00 0.00 57.85 55.10 1q86 n ARG 161 Cb 0.06 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1q86 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 162 N 0.31 0.98 0.11 -0.13 0.00 0.32 -4.88 105.19 101.90 1q86 n GLY 162 Ca 0.09 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1q86 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q86 n LEU 163 N -0.93 0.33 -4.83 0.99 4.77 -0.69 -3.21 117.00 113.43 1q86 n LEU 163 Ca -0.08 -0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 1q86 n LEU 163 Cb 0.33 -0.03 0.19 0.00 -2.33 0.00 0.00 43.42 41.58 1q86 n LEU 163 CO 0.13 0.07 0.79 0.28 -1.33 0.00 0.00 177.39 177.33 1q86 s THR 164 N -1.95 1.90 0.00 -5.08 -1.32 -1.26 -4.82 115.64 103.12 1q86 s THR 164 Ca 0.23 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1q86 s THR 164 Cb 0.11 -2.85 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1q86 s THR 164 CO 0.18 0.00 0.97 -1.54 -2.21 0.00 0.00 174.62 172.02 1q86 n SER 165 N -3.97 0.00 0.16 8.08 3.41 -1.26 -1.39 113.62 118.65 1q86 n SER 165 Ca 0.13 0.97 0.13 0.00 -0.26 0.00 0.00 58.87 59.84 1q86 n SER 165 Cb 0.60 -0.47 0.56 0.00 -0.26 0.00 0.00 64.21 64.64 1q86 n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q86 h ALA 166 N -1.85 1.00 -0.07 7.33 0.00 -1.95 -2.68 119.26 121.04 1q86 h ALA 166 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1q86 h ALA 166 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1q86 h ALA 166 CO 0.00 0.00 -0.00 0.78 0.00 0.00 0.00 179.25 180.03 1q86 h GLY 167 N 1.71 0.14 1.76 0.00 0.00 -1.71 -0.52 103.07 104.46 1q86 h GLY 167 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1q86 h GLY 167 CO 0.00 0.10 -0.54 3.21 0.00 0.00 0.00 176.54 179.31 1q86 h ARG 168 N -0.17 0.25 -0.03 4.80 3.08 -0.89 -1.61 114.38 119.82 1q86 h ARG 168 Ca 0.02 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1q86 h ARG 168 Cb 0.36 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1q86 h ARG 168 CO 0.00 0.73 -0.04 0.00 -1.07 0.00 0.00 179.97 179.60 1q86 h ARG 169 N 0.20 0.07 -0.88 0.04 3.08 -1.49 -2.40 114.38 113.00 1q86 h ARG 169 Ca 0.00 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.17 1q86 h ARG 169 Cb 1.01 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 1q86 h ARG 169 CO 0.08 0.58 0.57 0.00 -1.07 0.00 0.00 179.97 180.13 1q86 n ARG 171 N -4.55 0.79 -1.23 0.00 1.74 -0.61 -4.86 116.66 107.94 1q86 n ARG 171 Ca 0.17 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.17 1q86 n ARG 171 Cb 0.51 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.84 1q86 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 172 N 0.34 0.96 0.37 -0.13 0.00 0.60 -4.85 105.19 102.48 1q86 n GLY 172 Ca 0.03 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1q86 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q86 n LEU 173 N -0.90 1.09 0.17 0.99 4.77 -0.92 -4.41 117.00 117.79 1q86 n LEU 173 Ca -0.08 -0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 55.33 1q86 n LEU 173 Cb 0.32 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1q86 n LEU 173 CO 0.12 0.25 0.51 0.03 -1.33 0.00 0.00 177.39 176.97 1q86 h ARG 174 N 1.34 -0.47 -6.91 3.23 3.08 -1.83 -3.43 114.38 109.39 1q86 h ARG 174 Ca 0.00 0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.55 1q86 h ARG 174 Cb 0.30 0.11 0.08 0.00 0.08 0.00 0.00 29.97 30.53 1q86 h ARG 174 CO 0.00 -0.31 0.67 0.20 -1.07 0.00 0.00 179.97 179.46 1q86 s GLY 175 N -1.43 2.98 0.01 0.04 0.00 -1.26 -4.93 107.32 102.73 1q86 s GLY 175 Ca -0.08 1.34 0.22 0.00 0.00 0.00 0.00 44.72 46.21 1q86 s GLY 175 CO 0.25 1.99 1.01 -1.06 0.00 0.00 0.00 173.10 175.29 1q86 n GLN 176 N 0.60 0.13 0.00 2.90 6.02 -1.26 -4.71 117.38 121.06 1q86 n GLN 176 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1q86 n GLN 176 Cb 0.41 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1q86 n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q86 n GLY 177 N 1.44 1.76 3.63 1.08 0.00 -1.26 -4.95 105.19 106.90 1q86 n GLY 177 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 1q86 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q86 n LYS 178 N 0.00 1.52 0.00 1.61 4.81 -1.26 -2.02 118.16 122.82 1q86 n LYS 178 Ca 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1q86 n LYS 178 Cb 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 32.80 1q86 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q86 n GLY 179 N 3.12 2.66 2.13 3.14 0.00 -1.26 -4.93 105.19 110.04 1q86 n GLY 179 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1q86 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q86 n SER 180 N 0.00 4.32 0.14 1.61 3.41 -0.86 -4.59 113.62 117.66 1q86 n SER 180 Ca 0.00 -3.41 -0.14 0.00 -0.26 0.00 0.00 58.87 55.06 1q86 n SER 180 Cb 0.00 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.07 1q86 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1q86 h GLU 181 N 1.86 -0.29 -0.01 4.33 3.07 -1.89 -2.87 114.58 118.78 1q86 h GLU 181 Ca 0.45 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1q86 h GLU 181 Cb 2.62 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 30.59 1q86 h GLU 181 CO 0.93 -0.11 -0.06 1.63 -1.40 0.00 0.00 179.01 180.00 1q86 n LYS 182 N -5.17 1.39 -0.04 2.33 4.76 -1.26 -4.40 118.16 115.77 1q86 n LYS 182 Ca -0.09 -0.77 -0.02 0.00 -2.87 0.00 0.00 58.31 54.56 1q86 n LYS 182 Cb 0.18 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1q86 n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1q86 h VAL 183 N 1.87 0.00 -3.58 -0.18 2.07 -1.81 -3.39 116.25 111.23 1q86 h VAL 183 Ca 0.00 -0.68 -0.51 0.00 0.82 0.00 0.00 66.70 66.33 1q86 h VAL 183 Cb 0.46 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1q86 h VAL 183 CO 0.00 0.00 0.03 -0.60 0.02 0.00 0.00 177.57 177.02 1q86 s ARG 184 N -1.74 3.82 0.30 1.57 3.52 -1.09 -2.44 118.95 122.90 1q86 s ARG 184 Ca -0.08 0.42 0.26 0.00 -0.13 0.00 0.00 55.73 56.20 1q86 s ARG 184 Cb 0.01 -2.49 0.96 0.00 -1.56 0.00 0.00 34.95 31.87 1q86 s ARG 184 CO 0.11 0.12 1.76 -1.00 -0.81 0.00 0.00 175.30 175.49 1q86 h PRO 185 N 1.85 0.00 -2.30 5.12 0.13 -1.89 -3.46 132.00 131.45 1q86 h PRO 185 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1q86 h PRO 185 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1q86 h PRO 185 CO 0.66 0.00 0.32 -1.54 -0.23 0.00 0.00 178.00 177.21 1q86 s SER 186 N -4.62 -0.52 0.00 1.44 1.04 -1.02 -5.05 113.70 104.98 1q86 s SER 186 Ca 0.05 0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.52 1q86 s SER 186 Cb 0.10 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.56 1q86 s SER 186 CO 0.48 -0.68 1.06 -0.07 0.98 0.00 0.00 173.24 175.01 1q86 h LEU 187 N 2.39 -0.67 -1.02 2.42 3.38 -1.78 -2.69 115.31 117.33 1q86 h LEU 187 Ca -0.27 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 57.91 1q86 h LEU 187 Cb 1.22 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 42.03 1q86 h LEU 187 CO 0.36 -0.29 0.61 -0.09 0.09 0.00 0.00 178.44 179.11 1q86 h ARG 188 N -1.15 0.64 0.00 1.13 2.43 -1.91 0.46 114.38 115.98 1q86 h ARG 188 Ca -0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1q86 h ARG 188 Cb 0.65 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1q86 h ARG 188 CO 0.13 0.42 -0.34 -0.24 -1.51 0.00 0.00 179.97 178.43 1q86 h VAL 189 N 0.66 1.03 -0.29 0.20 3.04 -1.95 -2.43 116.25 116.50 1q86 h VAL 189 Ca 0.61 -1.28 -0.09 0.00 -1.01 0.00 0.00 66.70 64.94 1q86 h VAL 189 Cb 1.09 1.73 -0.05 0.00 -2.01 0.00 0.00 31.29 32.05 1q86 h VAL 189 CO -0.42 0.34 0.11 0.59 -1.01 0.00 0.00 177.57 177.17 1q86 n ASN 190 N -3.81 3.04 -1.26 3.17 3.02 0.16 -4.85 115.26 114.72 1q86 n ASN 190 Ca -0.01 -2.48 -0.16 0.00 -0.03 0.00 0.00 54.58 51.90 1q86 n ASN 190 Cb 0.42 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 1q86 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q86 n GLY 191 N 0.08 1.56 3.33 7.41 0.00 -0.92 -3.52 105.19 113.14 1q86 n GLY 191 Ca 0.16 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1q86 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 192 N 1.19 -2.38 -0.01 4.61 0.00 -0.82 -4.98 120.51 118.12 1q86 n ALA 192 Ca -0.16 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1q86 n ALA 192 Cb 0.54 -4.86 0.05 0.00 0.00 0.00 0.00 19.45 15.17 1q86 n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q86 n LYS 193 N -3.52 2.17 0.00 0.00 5.02 -1.23 -5.06 118.16 115.54 1q86 n LYS 193 Ca -0.13 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1q86 n LYS 193 Cb 0.63 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1q86 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88