#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n ARG 2 N 0.00 2.64 -2.83 0.00 1.74 -1.26 -4.99 116.66 111.96 1q81 n ARG 2 Ca 0.00 0.93 -0.31 0.00 -0.77 0.00 0.00 57.85 57.69 1q81 n ARG 2 Cb 0.00 -2.66 -0.04 0.00 -1.02 0.00 0.00 32.46 28.74 1q81 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q81 s SER 3 N 0.02 6.64 0.43 0.55 1.04 -1.26 -4.94 113.70 116.19 1q81 s SER 3 Ca 0.56 1.30 0.14 0.00 0.48 0.00 0.00 55.95 58.43 1q81 s SER 3 Cb -0.49 -2.39 1.02 0.00 0.10 0.00 0.00 66.02 64.26 1q81 s SER 3 CO 0.60 -0.39 1.98 0.00 0.98 0.00 0.00 173.24 176.41 1q81 h ALA 4 N 1.49 2.00 -0.32 5.32 0.00 -2.03 -0.50 119.26 125.22 1q81 h ALA 4 Ca -0.47 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1q81 h ALA 4 Cb 1.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1q81 h ALA 4 CO 0.63 -0.14 0.12 1.88 0.00 0.00 0.00 179.25 181.74 1q81 h TYR 5 N 0.42 0.21 0.00 0.00 0.99 -2.01 -1.93 116.97 114.65 1q81 h TYR 5 Ca 0.28 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.02 1q81 h TYR 5 Cb 0.53 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 38.22 1q81 h TYR 5 CO -0.00 0.09 0.64 0.66 -0.00 0.00 0.00 178.16 179.55 1q81 h SER 6 N 0.26 0.00 0.39 3.88 4.64 -1.45 0.54 113.55 121.80 1q81 h SER 6 Ca 0.14 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.15 1q81 h SER 6 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1q81 h SER 6 CO -0.14 0.00 -1.75 1.88 -0.87 0.00 0.00 176.83 175.94 1q81 h TYR 7 N 0.00 0.20 0.38 4.77 -1.99 -1.44 -2.72 116.97 116.18 1q81 h TYR 7 Ca 0.00 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.56 1q81 h TYR 7 Cb 1.28 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.01 1q81 h TYR 7 CO 0.00 1.29 -0.18 0.82 -0.00 0.00 0.00 178.16 180.08 1q81 h ILE 8 N 0.03 0.59 -0.49 -2.88 2.04 -0.02 -1.69 117.51 115.09 1q81 h ILE 8 Ca -0.31 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.19 1q81 h ILE 8 Cb 2.01 0.80 -0.10 0.00 -0.74 0.00 0.00 36.82 38.79 1q81 h ILE 8 CO 0.09 0.08 -0.36 -0.09 0.00 0.00 0.00 178.15 177.87 1q81 h ARG 9 N -0.78 -0.22 -0.84 2.37 2.43 -1.51 0.12 114.38 115.95 1q81 h ARG 9 Ca -0.05 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.29 1q81 h ARG 9 Cb 0.52 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1q81 h ARG 9 CO 0.09 -0.15 0.55 1.49 -1.51 0.00 0.00 179.97 180.44 1q81 h GLU 10 N -0.23 0.53 0.00 0.20 4.57 -1.33 -0.79 114.58 117.52 1q81 h GLU 10 Ca 0.19 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1q81 h GLU 10 Cb 0.55 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1q81 h GLU 10 CO -0.61 0.35 -0.67 0.00 -1.18 0.00 0.00 179.01 176.89 1q81 h ALA 11 N 1.62 0.71 -0.10 2.92 0.00 -0.04 -3.10 119.26 121.27 1q81 h ALA 11 Ca 0.42 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1q81 h ALA 11 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1q81 h ALA 11 CO -0.17 0.84 0.00 0.91 0.00 0.00 0.00 179.25 180.83 1q81 n TRP 12 N -3.48 0.13 0.09 0.00 7.02 -0.32 -3.21 117.44 117.68 1q81 n TRP 12 Ca 0.00 -0.07 -0.15 0.00 -1.02 0.00 0.00 57.50 56.27 1q81 n TRP 12 Cb 0.73 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.48 1q81 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1q81 h LYS 13 N 0.86 0.23 -2.42 -0.99 1.57 -1.44 -3.37 116.57 111.01 1q81 h LYS 13 Ca 0.00 -0.39 -0.59 0.00 -1.87 0.00 0.00 60.65 57.79 1q81 h LYS 13 Cb 0.19 0.15 -0.40 0.00 0.08 0.00 0.00 32.23 32.24 1q81 h LYS 13 CO 0.00 1.18 -0.79 0.54 -0.57 0.00 0.00 179.45 179.80 1q81 n ARG 14 N -3.50 1.41 0.17 3.15 1.74 -1.20 -4.96 116.66 113.49 1q81 n ARG 14 Ca -0.08 -3.96 0.11 0.00 -0.77 0.00 0.00 57.85 53.15 1q81 n ARG 14 Cb 1.01 -1.89 0.58 0.00 -1.02 0.00 0.00 32.46 31.14 1q81 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1q81 h PRO 15 N 4.77 0.00 -0.68 5.56 0.13 -1.73 -0.46 132.00 139.59 1q81 h PRO 15 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1q81 h PRO 15 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1q81 h PRO 15 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1q81 n LYS 16 N -2.27 3.28 -4.36 0.86 5.02 -1.26 -3.37 118.16 116.06 1q81 n LYS 16 Ca -0.01 -2.77 -0.23 0.00 -2.02 0.00 0.00 58.31 53.27 1q81 n LYS 16 Cb 0.09 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.28 1q81 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1q81 s GLU 17 N -1.46 2.06 1.60 1.97 0.41 -0.18 -4.80 118.70 118.29 1q81 s GLU 17 Ca 0.49 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.50 1q81 s GLU 17 Cb 0.29 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 1q81 s GLU 17 CO 0.28 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1q81 n GLY 18 N -0.80 1.61 0.14 -1.39 0.00 -1.26 -1.92 105.19 101.57 1q81 n GLY 18 Ca -0.06 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1q81 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1q81 h GLN 19 N 0.00 0.38 -0.64 1.61 4.20 -1.97 -2.69 115.11 116.01 1q81 h GLN 19 Ca 0.00 -0.12 0.11 0.00 0.06 0.00 0.00 58.65 58.70 1q81 h GLN 19 Cb 0.00 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1q81 h GLN 19 CO 0.00 0.58 0.43 0.97 -0.67 0.00 0.00 178.83 180.14 1q81 h ILE 20 N 0.15 0.86 -0.82 2.54 2.10 -1.88 0.32 117.51 120.79 1q81 h ILE 20 Ca 0.06 -0.14 0.05 0.00 1.08 0.00 0.00 64.86 65.92 1q81 h ILE 20 Cb 0.41 0.43 -0.06 0.00 -1.09 0.00 0.00 36.82 36.51 1q81 h ILE 20 CO 0.01 0.07 0.50 0.00 -1.08 0.00 0.00 178.15 177.66 1q81 h ALA 21 N 1.68 1.11 0.00 0.18 0.00 -1.04 -1.04 119.26 120.15 1q81 h ALA 21 Ca 0.30 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1q81 h ALA 21 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1q81 h ALA 21 CO -0.08 0.26 -0.76 1.49 0.00 0.00 0.00 179.25 180.15 1q81 h GLU 22 N 0.94 0.00 -0.03 0.00 4.81 -0.41 -3.02 114.58 116.86 1q81 h GLU 22 Ca 0.35 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1q81 h GLU 22 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1q81 h GLU 22 CO -0.16 0.76 0.01 -0.07 -0.73 0.00 0.00 179.01 178.82 1q81 h LEU 23 N 0.00 0.04 0.37 1.64 3.38 -0.30 -2.44 115.31 117.99 1q81 h LEU 23 Ca -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1q81 h LEU 23 Cb 1.51 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 1q81 h LEU 23 CO 0.10 0.23 -0.48 0.24 0.09 0.00 0.00 178.44 178.63 1q81 h MET 24 N -0.16 -0.85 -1.29 1.13 2.86 -1.27 0.14 114.93 115.50 1q81 h MET 24 Ca 0.01 0.06 0.38 0.00 -2.06 0.00 0.00 59.70 58.09 1q81 h MET 24 Cb 0.21 0.19 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 1q81 h MET 24 CO -0.00 -0.57 0.87 2.35 1.06 0.00 0.00 176.91 180.63 1q81 h TRP 25 N -0.88 0.37 0.00 -0.22 7.01 -1.51 0.39 115.95 121.11 1q81 h TRP 25 Ca -0.03 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1q81 h TRP 25 Cb 0.80 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.76 1q81 h TRP 25 CO -0.30 -0.06 0.00 0.72 -2.79 0.00 0.00 178.44 176.01 1q81 n HIS 26 N -4.46 0.00 -0.33 2.65 8.25 0.17 -4.22 115.22 117.28 1q81 n HIS 26 Ca 0.32 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.73 1q81 n HIS 26 Cb 1.31 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 32.23 1q81 n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q81 h ARG 27 N 0.00 -0.07 0.00 -0.41 3.08 -0.34 -1.59 114.38 115.05 1q81 h ARG 27 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1q81 h ARG 27 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1q81 h ARG 27 CO 0.00 -0.05 0.74 0.52 -1.07 0.00 0.00 179.97 180.11 1q81 h MET 28 N -0.08 0.00 0.20 0.04 2.86 -1.13 1.35 114.93 118.17 1q81 h MET 28 Ca 0.25 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.61 1q81 h MET 28 Cb 0.55 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.23 1q81 h MET 28 CO -0.87 0.00 -1.31 1.96 1.06 0.00 0.00 176.91 177.75 1q81 h GLN 29 N 0.00 0.42 0.00 1.72 4.20 -1.45 -2.38 115.11 117.61 1q81 h GLN 29 Ca 0.00 -0.71 -0.13 0.00 0.06 0.00 0.00 58.65 57.87 1q81 h GLN 29 Cb 1.47 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.50 1q81 h GLN 29 CO 0.00 1.34 -0.62 0.93 -0.67 0.00 0.00 178.83 179.81 1q81 h GLU 30 N -0.07 0.00 -0.36 1.46 5.08 0.14 -3.17 114.58 117.66 1q81 h GLU 30 Ca -0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1q81 h GLU 30 Cb 1.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1q81 h GLU 30 CO 0.20 0.62 -0.16 -1.49 -1.00 0.00 0.00 179.01 177.19 1q81 h TRP 31 N 0.00 0.85 0.00 4.33 4.06 -0.17 -2.61 115.95 122.41 1q81 h TRP 31 Ca -0.01 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.74 1q81 h TRP 31 Cb 1.21 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1q81 h TRP 31 CO 0.00 0.93 0.00 0.54 -3.56 0.00 0.00 178.44 176.35 1q81 n ARG 32 N -4.32 0.13 -0.01 0.49 1.74 -0.90 -1.53 116.66 112.27 1q81 n ARG 32 Ca -0.02 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1q81 n ARG 32 Cb 0.40 -1.76 0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1q81 n ARG 32 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1q81 n ASN 33 N -2.00 2.87 -4.91 0.55 3.02 -1.00 -4.95 115.26 108.83 1q81 n ASN 33 Ca 0.02 -1.95 -0.21 0.00 -0.03 0.00 0.00 54.58 52.42 1q81 n ASN 33 Cb 0.19 -0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.41 1q81 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1q81 s GLU 34 N -1.97 2.26 0.73 3.52 2.02 -0.58 -5.08 118.70 119.60 1q81 s GLU 34 Ca 0.30 -1.24 -0.12 0.00 0.02 0.00 0.00 54.97 53.92 1q81 s GLU 34 Cb 0.20 -2.54 0.17 0.00 0.10 0.00 0.00 34.13 32.06 1q81 s GLU 34 CO 0.30 -0.90 0.90 -0.35 0.02 0.00 0.00 175.26 175.24 1q81 n PRO 35 N -2.36 -1.30 -0.02 0.39 -0.04 -1.26 -4.99 135.00 125.42 1q81 n PRO 35 Ca 0.13 -1.40 -0.13 0.00 -0.04 0.00 0.00 63.50 62.06 1q81 n PRO 35 Cb 0.60 -1.01 -0.08 0.00 -0.04 0.00 0.00 33.50 32.97 1q81 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q81 h ALA 36 N -2.01 0.07 -3.64 0.55 0.00 -1.92 -3.41 119.26 108.90 1q81 h ALA 36 Ca -0.30 -0.20 -0.68 0.00 0.00 0.00 0.00 54.91 53.73 1q81 h ALA 36 Cb 0.85 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.27 1q81 h ALA 36 CO 0.21 -0.23 -0.73 0.08 0.00 0.00 0.00 179.25 178.59 1q81 s VAL 37 N -4.72 2.59 -0.19 0.00 1.01 -1.26 -1.63 120.40 116.20 1q81 s VAL 37 Ca -0.15 -1.70 -0.00 0.00 0.00 0.00 0.00 61.98 60.13 1q81 s VAL 37 Cb 0.04 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1q81 s VAL 37 CO 0.69 -0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1q81 s VAL 38 N 1.13 2.43 0.27 2.92 1.01 -0.70 -4.98 120.40 122.46 1q81 s VAL 38 Ca -0.03 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1q81 s VAL 38 Cb -0.20 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1q81 s VAL 38 CO -0.04 0.51 1.12 -0.60 0.00 0.00 0.00 175.10 176.09 1q81 s ARG 39 N 1.31 4.60 0.05 2.72 3.52 -1.26 -0.92 118.95 128.97 1q81 s ARG 39 Ca 0.04 1.84 0.08 0.00 -0.13 0.00 0.00 55.73 57.56 1q81 s ARG 39 Cb -0.13 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1q81 s ARG 39 CO -0.10 0.15 -0.22 0.96 -0.81 0.00 0.00 175.30 175.28 1q81 s ILE 40 N -1.00 1.80 0.20 4.11 -4.36 -0.64 -4.92 121.20 116.40 1q81 s ILE 40 Ca 0.46 -1.31 -0.06 0.00 -0.26 0.00 0.00 60.65 59.49 1q81 s ILE 40 Cb -0.32 -1.57 0.01 0.00 1.25 0.00 0.00 42.46 41.83 1q81 s ILE 40 CO 0.41 0.20 1.59 -0.33 0.24 0.00 0.00 174.94 177.05 1q81 h GLU 41 N 4.71 0.80 -4.26 0.37 5.08 -1.96 -3.39 114.58 115.92 1q81 h GLU 41 Ca -0.44 -0.35 -0.30 0.00 -1.00 0.00 0.00 59.36 57.26 1q81 h GLU 41 Cb 1.16 -0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.11 1q81 h GLU 41 CO 0.43 0.98 -0.75 1.03 -1.00 0.00 0.00 179.01 179.70 1q81 s ARG 42 N -4.52 0.38 0.40 2.33 1.81 -1.26 -4.95 118.95 113.14 1q81 s ARG 42 Ca -0.09 -0.24 -0.27 0.00 -1.72 0.00 0.00 55.73 53.41 1q81 s ARG 42 Cb 0.13 -0.34 -0.10 0.00 -0.45 0.00 0.00 34.95 34.19 1q81 s ARG 42 CO 0.85 0.09 1.48 -2.14 -0.68 0.00 0.00 175.30 174.89 1q81 s PRO 43 N -0.30 3.97 0.45 3.54 0.02 -1.26 -4.90 135.00 136.52 1q81 s PRO 43 Ca 0.00 2.55 0.25 0.00 0.02 0.00 0.00 61.00 63.82 1q81 s PRO 43 Cb -0.03 -2.87 0.53 0.00 0.02 0.00 0.00 34.50 32.15 1q81 s PRO 43 CO -0.00 -0.63 1.68 1.15 -0.33 0.00 0.00 177.00 178.86 1q81 h THR 44 N 2.78 0.00 -3.10 0.99 2.02 -2.00 -3.35 112.91 110.25 1q81 h THR 44 Ca -0.51 -0.90 -0.62 0.00 0.77 0.00 0.00 66.41 65.15 1q81 h THR 44 Cb 1.25 1.89 -0.41 0.00 -1.74 0.00 0.00 68.15 69.14 1q81 h THR 44 CO 0.63 0.00 -0.64 -0.13 0.37 0.00 0.00 175.52 175.76 1q81 s ARG 45 N -3.28 2.10 0.19 6.66 0.52 -1.26 -4.98 118.95 118.89 1q81 s ARG 45 Ca 0.06 -2.93 -0.12 0.00 -0.52 0.00 0.00 55.73 52.22 1q81 s ARG 45 Cb 0.06 -3.13 0.12 0.00 0.52 0.00 0.00 34.95 32.52 1q81 s ARG 45 CO 0.64 -1.24 1.83 1.25 0.02 0.00 0.00 175.30 177.81 1q81 h LEU 46 N 5.84 0.60 -0.54 2.53 6.46 -1.99 0.12 115.31 128.33 1q81 h LEU 46 Ca 0.08 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1q81 h LEU 46 Cb 0.82 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1q81 h LEU 46 CO 0.66 0.42 0.20 -2.24 -0.62 0.00 0.00 178.44 176.86 1q81 h ASP 47 N 0.72 0.75 -0.23 1.25 2.03 -1.94 -1.41 116.42 117.60 1q81 h ASP 47 Ca 0.23 -0.18 0.02 0.00 -0.73 0.00 0.00 57.03 56.37 1q81 h ASP 47 Cb -0.00 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.28 1q81 h ASP 47 CO -0.09 0.73 0.10 0.03 -1.03 0.00 0.00 179.24 178.98 1q81 h ARG 48 N 0.73 0.21 0.71 4.15 2.47 -1.83 0.25 114.38 121.07 1q81 h ARG 48 Ca 0.18 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1q81 h ARG 48 Cb 0.22 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1q81 h ARG 48 CO -0.01 0.14 -0.34 0.00 0.56 0.00 0.00 179.97 180.31 1q81 h ALA 49 N 1.13 -0.96 -1.00 0.04 0.00 -0.68 -1.80 119.26 115.99 1q81 h ALA 49 Ca 0.10 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1q81 h ALA 49 Cb 0.05 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1q81 h ALA 49 CO -0.09 -0.94 0.61 0.00 0.00 0.00 0.00 179.25 178.84 1q81 h ARG 50 N -1.15 0.72 -0.21 0.00 3.08 -1.22 0.47 114.38 116.06 1q81 h ARG 50 Ca -0.10 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1q81 h ARG 50 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1q81 h ARG 50 CO 0.16 0.48 -0.07 1.03 -1.07 0.00 0.00 179.97 180.50 1q81 h SER 51 N 0.74 0.31 0.88 7.04 0.87 -0.36 -2.44 113.55 120.59 1q81 h SER 51 Ca 0.56 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1q81 h SER 51 Cb 0.91 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1q81 h SER 51 CO -0.35 0.42 -0.20 0.18 -0.53 0.00 0.00 176.83 176.35 1q81 n LEU 52 N -4.29 0.28 0.00 2.23 4.77 0.15 -4.90 117.00 115.24 1q81 n LEU 52 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1q81 n LEU 52 Cb 0.25 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1q81 n LEU 52 CO 0.38 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1q81 n GLY 53 N 1.47 0.51 3.77 -0.72 0.00 -0.49 -4.80 105.19 104.93 1q81 n GLY 53 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1q81 n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q81 s TYR 54 N -1.49 2.68 0.12 1.61 5.04 -0.60 -4.95 117.35 119.76 1q81 s TYR 54 Ca 0.00 1.51 -0.04 0.00 -2.44 0.00 0.00 57.07 56.10 1q81 s TYR 54 Cb 0.00 -3.44 -0.03 0.00 0.35 0.00 0.00 41.96 38.84 1q81 s TYR 54 CO 0.00 -1.82 0.11 0.15 -1.34 0.00 0.00 175.55 172.64 1q81 s LYS 55 N -2.92 0.91 -1.13 4.97 1.02 -1.26 -4.33 119.74 117.00 1q81 s LYS 55 Ca 0.68 -1.28 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 1q81 s LYS 55 Cb -0.30 0.28 0.27 0.00 -0.52 0.00 0.00 37.83 37.56 1q81 s LYS 55 CO 0.35 -0.27 1.24 0.00 -0.92 0.00 0.00 175.35 175.75 1q81 n ALA 56 N -0.08 4.36 -2.17 5.17 0.00 -1.26 -4.92 120.51 121.61 1q81 n ALA 56 Ca -0.09 -4.62 -0.10 0.00 0.00 0.00 0.00 53.44 48.63 1q81 n ALA 56 Cb 0.63 -2.55 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 1q81 n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1q81 s LYS 57 N -1.06 0.85 0.27 0.00 2.20 -1.26 -5.12 119.74 115.63 1q81 s LYS 57 Ca 0.33 -1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.29 1q81 s LYS 57 Cb -0.06 -0.13 -0.10 0.00 -1.51 0.00 0.00 37.83 36.04 1q81 s LYS 57 CO -0.04 -0.06 1.22 -0.65 -0.36 0.00 0.00 175.35 175.46 1q81 s GLN 58 N -3.87 4.48 0.00 4.03 -0.21 -1.26 -2.72 119.66 120.11 1q81 s GLN 58 Ca 0.14 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.52 1q81 s GLN 58 Cb 0.06 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.91 1q81 s GLN 58 CO -0.04 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1q81 n GLY 59 N 1.37 0.74 3.51 3.09 0.00 -1.26 -4.62 105.19 108.02 1q81 n GLY 59 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1q81 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q81 s ILE 60 N -2.40 4.18 0.11 -0.61 1.01 -1.10 -0.35 121.20 122.03 1q81 s ILE 60 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1q81 s ILE 60 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1q81 s ILE 60 CO 0.00 0.45 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 1q81 s ILE 61 N 0.66 1.60 0.02 2.92 1.09 0.95 -4.85 121.20 123.58 1q81 s ILE 61 Ca 0.00 -1.58 0.03 0.00 -1.10 0.00 0.00 60.65 58.00 1q81 s ILE 61 Cb -0.14 -1.52 -0.01 0.00 -1.06 0.00 0.00 42.46 39.72 1q81 s ILE 61 CO 0.02 -0.16 -0.10 -0.69 -0.10 0.00 0.00 174.94 173.91 1q81 s VAL 62 N -1.41 0.80 0.00 2.92 1.01 -1.26 0.43 120.40 122.89 1q81 s VAL 62 Ca 0.07 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1q81 s VAL 62 Cb -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1q81 s VAL 62 CO 0.04 0.02 0.22 -0.69 0.00 0.00 0.00 175.10 174.70 1q81 s VAL 63 N -0.63 0.08 -0.11 2.92 1.01 0.00 -1.61 120.40 122.05 1q81 s VAL 63 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1q81 s VAL 63 Cb -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1q81 s VAL 63 CO 0.00 -0.34 0.12 -0.60 0.00 0.00 0.00 175.10 174.28 1q81 s ARG 64 N -1.55 3.38 -0.03 2.72 3.52 -0.10 0.10 118.95 126.99 1q81 s ARG 64 Ca -0.13 -0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 1q81 s ARG 64 Cb -0.06 -3.13 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1q81 s ARG 64 CO 0.02 0.76 -0.14 0.08 -0.81 0.00 0.00 175.30 175.21 1q81 s VAL 65 N -1.03 1.19 -0.13 7.11 1.01 0.34 -1.73 120.40 127.16 1q81 s VAL 65 Ca 0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1q81 s VAL 65 Cb -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1q81 s VAL 65 CO 0.05 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.40 1q81 s ALA 66 N -0.06 2.78 0.10 5.51 0.00 -0.65 -2.27 121.76 127.16 1q81 s ALA 66 Ca -0.00 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1q81 s ALA 66 Cb -0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1q81 s ALA 66 CO 0.01 0.28 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 1q81 s ILE 67 N 0.22 1.10 0.58 0.00 -1.09 -0.70 -4.86 121.20 116.45 1q81 s ILE 67 Ca -0.06 -1.57 -0.15 0.00 -2.23 0.00 0.00 60.65 56.63 1q81 s ILE 67 Cb -0.15 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 1q81 s ILE 67 CO 0.04 -0.43 1.04 0.00 -1.23 0.00 0.00 174.94 174.36 1q81 s ARG 68 N -2.48 3.44 0.58 2.79 3.03 -1.26 -1.31 118.95 123.74 1q81 s ARG 68 Ca 0.04 1.11 0.01 0.00 2.03 0.00 0.00 55.73 58.93 1q81 s ARG 68 Cb -0.05 -2.05 0.05 0.00 -1.03 0.00 0.00 34.95 31.86 1q81 s ARG 68 CO 0.02 -0.70 0.81 0.15 -1.13 0.00 0.00 175.30 174.45 1q81 s LYS 69 N -4.18 2.38 0.13 3.89 1.02 -0.79 -4.78 119.74 117.40 1q81 s LYS 69 Ca 0.62 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1q81 s LYS 69 Cb -0.14 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1q81 s LYS 69 CO 0.38 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1q81 n GLY 70 N -2.43 -1.83 0.00 -3.33 0.00 -1.26 -5.02 105.19 91.31 1q81 n GLY 70 Ca 0.09 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1q81 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q81 n SER 71 N 0.02 0.00 -4.76 1.61 3.41 -1.26 -4.97 113.62 107.66 1q81 n SER 71 Ca 0.00 -0.16 -0.40 0.00 -0.26 0.00 0.00 58.87 58.05 1q81 n SER 71 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1q81 n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1q81 s SER 72 N -1.00 7.11 -1.10 4.04 0.15 -0.93 -4.87 113.70 117.09 1q81 s SER 72 Ca 0.00 2.32 -0.14 0.00 0.70 0.00 0.00 55.95 58.82 1q81 s SER 72 Cb 0.00 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 61.87 1q81 s SER 72 CO 0.00 -0.26 1.26 -0.13 1.20 0.00 0.00 173.24 175.31 1q81 s ARG 73 N -1.64 3.96 -0.10 5.44 3.00 -1.26 -4.94 118.95 123.42 1q81 s ARG 73 Ca 0.47 -2.49 0.00 0.00 0.00 0.00 0.00 55.73 53.71 1q81 s ARG 73 Cb -0.32 -4.90 -0.02 0.00 0.00 0.00 0.00 34.95 29.70 1q81 s ARG 73 CO 0.41 -1.65 -0.10 0.50 0.00 0.00 0.00 175.30 174.46 1q81 s ARG 74 N 1.26 3.05 0.33 3.54 3.52 -1.26 -5.11 118.95 124.28 1q81 s ARG 74 Ca 0.37 -0.62 -0.27 0.00 -0.13 0.00 0.00 55.73 55.08 1q81 s ARG 74 Cb -0.05 -2.61 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 1q81 s ARG 74 CO -0.04 0.44 1.04 0.99 -0.81 0.00 0.00 175.30 176.91 1q81 s THR 75 N -0.21 3.75 0.29 4.11 2.01 -1.26 -4.90 115.64 119.43 1q81 s THR 75 Ca 0.02 1.53 -0.27 0.00 0.31 0.00 0.00 61.69 63.28 1q81 s THR 75 Cb -0.13 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1q81 s THR 75 CO 0.03 0.19 0.94 -0.60 -0.69 0.00 0.00 174.62 174.49 1q81 s ARG 76 N -1.95 4.66 0.23 4.92 3.52 -1.26 -4.99 118.95 124.08 1q81 s ARG 76 Ca 0.51 1.37 -0.30 0.00 -0.13 0.00 0.00 55.73 57.18 1q81 s ARG 76 Cb -0.25 -2.95 -0.15 0.00 -1.56 0.00 0.00 34.95 30.03 1q81 s ARG 76 CO 0.32 0.36 0.94 1.97 -0.81 0.00 0.00 175.30 178.08 1q81 n PHE 77 N 0.86 0.86 0.78 5.12 1.16 -1.26 -4.91 117.46 120.06 1q81 n PHE 77 Ca 0.01 0.77 0.09 0.00 -1.87 0.00 0.00 57.45 56.45 1q81 n PHE 77 Cb 0.49 -2.19 0.04 0.00 -1.61 0.00 0.00 39.48 36.22 1q81 n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1q81 n ASN 78 N 1.61 2.20 -2.20 5.98 4.13 -1.26 -5.01 115.26 120.71 1q81 n ASN 78 Ca 0.13 -1.60 -0.10 0.00 1.68 0.00 0.00 54.58 54.70 1q81 n ASN 78 Cb 0.28 0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1q81 n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1q81 n LYS 79 N 0.56 0.43 -1.66 3.52 5.02 -1.26 -5.13 118.16 119.64 1q81 n LYS 79 Ca 0.09 -1.47 -0.41 0.00 -2.02 0.00 0.00 58.31 54.50 1q81 n LYS 79 Cb 0.42 1.03 0.01 0.00 -0.02 0.00 0.00 35.03 36.47 1q81 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q81 n GLY 80 N 0.25 0.23 3.58 0.72 0.00 -1.26 -5.01 105.19 103.70 1q81 n GLY 80 Ca 0.01 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1q81 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q81 s ARG 81 N -2.08 0.83 0.41 1.61 6.06 -1.26 -5.13 118.95 119.39 1q81 s ARG 81 Ca 0.61 0.49 -0.14 0.00 -2.50 0.00 0.00 55.73 54.19 1q81 s ARG 81 Cb -0.54 0.39 -0.08 0.00 0.06 0.00 0.00 34.95 34.79 1q81 s ARG 81 CO 0.58 -0.20 0.83 -0.98 -2.50 0.00 0.00 175.30 173.03 1q81 s ARG 82 N -0.54 3.91 0.38 5.12 1.70 -1.26 -4.86 118.95 123.41 1q81 s ARG 82 Ca -0.04 0.69 0.20 0.00 -0.47 0.00 0.00 55.73 56.11 1q81 s ARG 82 Cb -0.02 -2.32 1.20 0.00 -0.57 0.00 0.00 34.95 33.24 1q81 s ARG 82 CO 0.04 -0.05 1.67 0.66 -1.08 0.00 0.00 175.30 176.53 1q81 h SER 83 N 1.47 0.42 -0.94 -2.89 4.64 -2.01 0.29 113.55 114.53 1q81 h SER 83 Ca -0.47 0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1q81 h SER 83 Cb 1.18 0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 63.32 1q81 h SER 83 CO 0.63 -0.12 0.60 0.50 -0.87 0.00 0.00 176.83 177.57 1q81 h LYS 84 N 0.26 0.94 -0.33 4.77 3.11 -2.04 -2.55 116.57 120.73 1q81 h LYS 84 Ca 0.74 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.52 1q81 h LYS 84 Cb 1.92 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 1q81 h LYS 84 CO -0.51 0.62 0.00 0.54 -2.81 0.00 0.00 179.45 177.29 1q81 n ARG 85 N -4.54 2.26 -0.00 1.90 5.12 1.00 -4.27 116.66 118.14 1q81 n ARG 85 Ca 0.16 -1.91 0.14 0.00 -1.93 0.00 0.00 57.85 54.31 1q81 n ARG 85 Cb 0.29 -1.47 0.85 0.00 -1.16 0.00 0.00 32.46 30.96 1q81 n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1q81 n MET 86 N 1.13 1.01 -1.63 5.56 2.81 -0.96 -4.89 117.12 120.15 1q81 n MET 86 Ca 0.18 -0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.65 1q81 n MET 86 Cb 0.52 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.60 1q81 n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q81 n MET 87 N -0.93 1.27 0.06 0.03 -0.00 -1.26 -4.83 117.12 111.47 1q81 n MET 87 Ca 0.22 0.47 0.00 0.00 -0.00 0.00 0.00 57.70 58.38 1q81 n MET 87 Cb 0.10 -2.15 0.00 0.00 -0.00 0.00 0.00 33.22 31.18 1q81 n MET 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1q81 n VAL 88 N -0.93 0.00 -0.11 3.17 0.31 -1.26 -4.86 118.33 114.65 1q81 n VAL 88 Ca 0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1q81 n VAL 88 Cb 0.43 -0.14 0.02 0.00 -0.91 0.00 0.00 33.84 33.24 1q81 n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1q81 h ASN 89 N 0.00 0.01 -0.12 4.52 2.35 -1.92 -2.76 115.58 117.66 1q81 h ASN 89 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1q81 h ASN 89 Cb 0.00 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1q81 h ASN 89 CO 0.00 0.04 0.00 0.54 -1.65 0.00 0.00 177.43 176.36 1q81 n ARG 90 N -5.09 1.28 -2.96 0.81 1.74 -1.26 -4.80 116.66 106.37 1q81 n ARG 90 Ca 0.02 -0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 56.26 1q81 n ARG 90 Cb 0.16 -1.10 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 1q81 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q81 s ILE 91 N -1.84 4.98 0.08 0.55 1.01 -1.04 -5.03 121.20 119.91 1q81 s ILE 91 Ca 0.09 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.42 1q81 s ILE 91 Cb 0.05 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1q81 s ILE 91 CO 0.06 0.24 -0.22 0.42 0.00 0.00 0.00 174.94 175.44 1q81 s THR 92 N 0.77 1.80 0.86 2.92 -4.23 -1.26 -2.19 115.64 114.32 1q81 s THR 92 Ca 0.41 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 1q81 s THR 92 Cb -0.19 -1.59 0.11 0.00 1.34 0.00 0.00 72.50 72.17 1q81 s THR 92 CO 0.21 0.09 1.09 -0.13 -0.54 0.00 0.00 174.62 175.34 1q81 s ARG 93 N -1.60 1.51 0.00 3.99 1.81 -1.26 -4.85 118.95 118.55 1q81 s ARG 93 Ca 0.08 0.95 0.26 0.00 -1.72 0.00 0.00 55.73 55.30 1q81 s ARG 93 Cb -0.10 -1.83 0.57 0.00 -0.45 0.00 0.00 34.95 33.15 1q81 s ARG 93 CO 0.03 -2.10 1.48 1.63 -0.68 0.00 0.00 175.30 175.66 1q81 n LYS 94 N -3.80 2.04 -3.91 3.54 5.02 -1.26 -4.76 118.16 115.03 1q81 n LYS 94 Ca 0.08 -1.51 -0.35 0.00 -2.02 0.00 0.00 58.31 54.50 1q81 n LYS 94 Cb 0.54 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.95 1q81 n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1q81 s LYS 95 N -1.98 2.70 0.96 1.97 2.20 -1.26 -4.99 119.74 119.34 1q81 s LYS 95 Ca 0.33 -1.08 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 1q81 s LYS 95 Cb 0.20 -3.12 0.13 0.00 -1.51 0.00 0.00 37.83 33.54 1q81 s LYS 95 CO 0.31 -0.50 0.89 0.27 -0.36 0.00 0.00 175.35 175.97 1q81 n ASN 96 N 4.68 -0.61 0.06 1.43 6.94 -1.26 -4.82 115.26 121.68 1q81 n ASN 96 Ca -0.15 0.32 0.04 0.00 -0.02 0.00 0.00 54.58 54.77 1q81 n ASN 96 Cb 0.46 -1.37 0.43 0.00 -2.36 0.00 0.00 39.78 36.94 1q81 n ASN 96 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1q81 h ILE 97 N -1.90 1.12 -0.87 1.53 2.04 -1.96 -2.00 117.51 115.47 1q81 h ILE 97 Ca -0.45 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1q81 h ILE 97 Cb 1.28 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1q81 h ILE 97 CO 0.40 0.14 0.57 -0.61 0.00 0.00 0.00 178.15 178.65 1q81 h GLN 98 N 0.41 1.11 0.00 2.37 4.15 -2.00 -2.29 115.11 118.86 1q81 h GLN 98 Ca 0.10 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1q81 h GLN 98 Cb 0.08 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1q81 h GLN 98 CO -0.01 0.74 -0.24 -0.09 -1.93 0.00 0.00 178.83 177.29 1q81 h ARG 99 N 1.14 0.00 -0.07 1.69 2.43 -1.71 -1.92 114.38 115.95 1q81 h ARG 99 Ca 0.33 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1q81 h ARG 99 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1q81 h ARG 99 CO -0.09 0.24 -0.26 0.82 -1.51 0.00 0.00 179.97 179.17 1q81 h ILE 100 N 0.00 1.43 -0.03 1.20 2.04 -1.27 -3.03 117.51 117.85 1q81 h ILE 100 Ca -0.00 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.23 1q81 h ILE 100 Cb 0.65 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.97 1q81 h ILE 100 CO 0.03 0.47 -0.44 0.00 0.00 0.00 0.00 178.15 178.22 1q81 h ALA 101 N 0.44 -0.70 -1.04 1.87 0.00 -1.13 0.12 119.26 118.82 1q81 h ALA 101 Ca -0.01 -0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.12 1q81 h ALA 101 Cb 0.90 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 19.36 1q81 h ALA 101 CO 0.06 -0.97 0.65 0.93 0.00 0.00 0.00 179.25 179.91 1q81 h GLU 102 N -0.58 0.43 -0.01 0.00 5.08 -1.40 0.14 114.58 118.24 1q81 h GLU 102 Ca 0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1q81 h GLU 102 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1q81 h GLU 102 CO -0.34 0.29 -0.12 0.93 -1.00 0.00 0.00 179.01 178.77 1q81 h GLU 103 N 0.45 0.10 -0.55 2.33 5.08 -1.02 -0.39 114.58 120.58 1q81 h GLU 103 Ca 0.63 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.93 1q81 h GLU 103 Cb 1.46 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 1q81 h GLU 103 CO -0.38 0.80 0.36 0.00 -1.00 0.00 0.00 179.01 178.79 1q81 h ARG 104 N -0.56 0.61 -0.27 2.33 3.08 0.31 0.65 114.38 120.54 1q81 h ARG 104 Ca -0.01 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1q81 h ARG 104 Cb 0.83 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1q81 h ARG 104 CO 0.02 0.41 -0.20 0.00 -1.07 0.00 0.00 179.97 179.12 1q81 h ALA 105 N 1.68 0.39 -0.46 0.04 0.00 -0.75 -2.81 119.26 117.36 1q81 h ALA 105 Ca 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1q81 h ALA 105 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1q81 h ALA 105 CO -0.06 0.33 0.28 -0.97 0.00 0.00 0.00 179.25 178.84 1q81 h ASN 106 N 0.35 0.56 -0.91 0.00 -0.73 0.84 -2.53 115.58 113.15 1q81 h ASN 106 Ca 0.05 -0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.20 1q81 h ASN 106 Cb 0.75 -0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.15 1q81 h ASN 106 CO 0.05 0.45 0.60 0.03 -0.37 0.00 0.00 177.43 178.19 1q81 h ARG 107 N 0.62 1.12 -0.12 6.67 3.08 -1.09 -0.31 114.38 124.34 1q81 h ARG 107 Ca 0.17 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.18 1q81 h ARG 107 Cb -0.01 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 1q81 h ARG 107 CO -0.03 0.74 0.13 0.87 -1.07 0.00 0.00 179.97 180.61 1q81 h LYS 108 N 1.16 0.00 -3.03 0.04 1.79 -1.18 -3.19 116.57 112.17 1q81 h LYS 108 Ca 0.36 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 58.21 1q81 h LYS 108 Cb -0.01 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.24 1q81 h LYS 108 CO -0.10 0.00 -0.66 -0.06 -1.08 0.00 0.00 179.45 177.54 1q81 s PHE 109 N -4.69 2.92 0.49 -1.35 0.40 -0.13 -4.99 117.98 110.63 1q81 s PHE 109 Ca -0.05 -3.03 0.20 0.00 -0.60 0.00 0.00 56.93 53.44 1q81 s PHE 109 Cb 0.16 -2.36 1.24 0.00 0.51 0.00 0.00 43.02 42.56 1q81 s PHE 109 CO 0.57 -0.66 2.01 -1.00 0.70 0.00 0.00 175.22 176.84 1q81 h PRO 110 N 5.83 0.16 0.00 0.24 0.13 -1.57 -2.16 132.00 134.62 1q81 h PRO 110 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1q81 h PRO 110 Cb 0.83 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1q81 h PRO 110 CO 0.63 0.10 -0.49 0.27 -0.23 0.00 0.00 178.00 178.28 1q81 n ASN 111 N -4.44 0.68 -4.92 1.44 6.94 -1.26 -4.92 115.26 108.77 1q81 n ASN 111 Ca 0.08 0.18 -0.26 0.00 -0.02 0.00 0.00 54.58 54.56 1q81 n ASN 111 Cb 0.45 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.83 1q81 n ASN 111 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1q81 s LEU 112 N -4.14 3.95 -0.04 -4.53 1.43 -0.82 -4.44 118.68 110.10 1q81 s LEU 112 Ca 0.08 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1q81 s LEU 112 Cb 0.14 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1q81 s LEU 112 CO 0.69 -0.32 -0.23 -0.13 0.23 0.00 0.00 176.35 176.58 1q81 s ARG 113 N -4.16 2.18 0.04 1.70 0.52 -0.58 -4.93 118.95 113.72 1q81 s ARG 113 Ca 0.43 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1q81 s ARG 113 Cb -0.10 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.36 1q81 s ARG 113 CO 0.36 0.42 1.39 0.08 0.02 0.00 0.00 175.30 177.57 1q81 s VAL 114 N -0.31 3.58 -0.22 3.52 1.01 -1.26 -0.78 120.40 125.94 1q81 s VAL 114 Ca 0.02 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 1q81 s VAL 114 Cb -0.11 -3.67 -0.18 0.00 0.00 0.00 0.00 36.38 32.41 1q81 s VAL 114 CO 0.01 0.03 -0.02 -0.11 0.00 0.00 0.00 175.10 175.02 1q81 n LEU 115 N 4.81 2.37 0.00 3.92 -0.00 0.37 -4.85 117.00 123.62 1q81 n LEU 115 Ca 0.12 0.20 0.01 0.00 -0.00 0.00 0.00 56.01 56.35 1q81 n LEU 115 Cb 0.43 -0.95 0.01 0.00 -0.00 0.00 0.00 43.42 42.91 1q81 n LEU 115 CO 0.58 0.67 0.45 -3.20 -0.00 0.00 0.00 177.39 175.89 1q81 n ASN 116 N -3.85 -0.51 -3.68 1.96 2.85 -1.18 -4.69 115.26 106.16 1q81 n ASN 116 Ca -0.42 -1.12 -0.06 0.00 -0.11 0.00 0.00 54.58 52.87 1q81 n ASN 116 Cb 0.91 0.79 -0.02 0.00 1.24 0.00 0.00 39.78 42.70 1q81 n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1q81 s SER 117 N -2.17 -0.28 -0.03 1.20 1.04 -1.26 -1.73 113.70 110.47 1q81 s SER 117 Ca 0.12 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.99 1q81 s SER 117 Cb -0.00 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.70 1q81 s SER 117 CO -0.00 -0.92 0.59 -0.72 0.98 0.00 0.00 173.24 173.17 1q81 s TYR 118 N -3.41 -0.54 0.38 5.02 -0.85 -0.83 -5.00 117.35 112.12 1q81 s TYR 118 Ca 0.09 0.88 -0.24 0.00 -0.52 0.00 0.00 57.07 57.28 1q81 s TYR 118 Cb -0.02 0.35 -0.09 0.00 0.38 0.00 0.00 41.96 42.57 1q81 s TYR 118 CO -0.01 -0.58 1.02 0.45 -1.52 0.00 0.00 175.55 174.91 1q81 s SER 119 N -1.33 6.92 -0.22 -0.18 0.15 -1.26 -0.80 113.70 116.97 1q81 s SER 119 Ca -0.11 1.97 0.14 0.00 0.70 0.00 0.00 55.95 58.65 1q81 s SER 119 Cb -0.01 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.17 1q81 s SER 119 CO 0.07 -0.38 1.18 1.33 1.20 0.00 0.00 173.24 176.65 1q81 n VAL 120 N 0.07 1.84 -0.25 4.45 0.24 -0.23 -4.85 118.33 119.60 1q81 n VAL 120 Ca 0.04 -3.24 0.00 0.00 -2.04 0.00 0.00 64.34 59.10 1q81 n VAL 120 Cb 0.50 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1q81 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q81 n GLY 121 N -0.63 -1.83 3.61 7.63 0.00 -1.25 -4.82 105.19 107.90 1q81 n GLY 121 Ca 0.24 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 1q81 n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q81 s GLU 122 N -0.05 0.26 0.00 1.61 -1.05 -1.26 -1.50 118.70 116.71 1q81 s GLU 122 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 1q81 s GLU 122 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1q81 s GLU 122 CO 0.00 -0.10 0.00 -0.40 0.95 0.00 0.00 175.26 175.71 1q81 n ASP 123 N 0.13 0.77 -0.16 0.83 5.68 -1.23 -4.99 116.55 117.57 1q81 n ASP 123 Ca -0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 1q81 n ASP 123 Cb 0.58 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.99 1q81 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q81 h GLY 124 N 0.00 0.84 0.00 6.12 0.00 -2.04 -3.35 103.07 104.64 1q81 h GLY 124 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1q81 h GLY 124 CO 0.00 0.13 0.00 -0.96 0.00 0.00 0.00 176.54 175.71 1q81 n ARG 125 N -4.49 -0.22 -3.86 4.80 1.85 -1.26 -4.90 116.66 108.57 1q81 n ARG 125 Ca 0.12 -0.16 -0.26 0.00 -1.00 0.00 0.00 57.85 56.55 1q81 n ARG 125 Cb 0.37 -0.64 -0.01 0.00 -1.05 0.00 0.00 32.46 31.14 1q81 n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1q81 s HIS 126 N -0.01 1.70 -0.20 2.89 3.76 -1.26 -1.89 115.29 120.28 1q81 s HIS 126 Ca 0.00 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 53.98 1q81 s HIS 126 Cb 0.00 -1.93 0.06 0.00 1.11 0.00 0.00 32.58 31.82 1q81 s HIS 126 CO 0.00 -0.46 0.50 0.15 -0.85 0.00 0.00 174.74 174.08 1q81 s LYS 127 N -4.27 0.50 0.02 1.40 1.02 -0.43 -3.54 119.74 114.44 1q81 s LYS 127 Ca 0.35 0.91 0.08 0.00 0.02 0.00 0.00 55.97 57.34 1q81 s LYS 127 Cb -0.02 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.31 1q81 s LYS 127 CO 0.22 -0.15 -0.25 -1.58 -0.92 0.00 0.00 175.35 172.67 1q81 s TRP 128 N 1.39 2.36 0.02 3.18 0.51 -0.56 -1.73 118.94 124.12 1q81 s TRP 128 Ca -0.09 -0.40 -0.02 0.00 -2.12 0.00 0.00 56.10 53.48 1q81 s TRP 128 Cb -0.07 -1.45 -0.02 0.00 -0.81 0.00 0.00 33.47 31.12 1q81 s TRP 128 CO -0.14 0.08 0.00 -1.01 -0.51 0.00 0.00 176.95 175.38 1q81 s HIS 129 N -0.74 0.27 -0.09 -1.98 3.76 -0.96 -1.07 115.29 114.47 1q81 s HIS 129 Ca 0.11 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1q81 s HIS 129 Cb -0.10 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.37 1q81 s HIS 129 CO 0.01 -0.25 -0.08 -1.21 -0.85 0.00 0.00 174.74 172.36 1q81 s GLU 130 N -1.91 2.95 -0.06 1.40 2.02 0.02 -0.51 118.70 122.61 1q81 s GLU 130 Ca -0.12 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.34 1q81 s GLU 130 Cb -0.06 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 1q81 s GLU 130 CO -0.02 0.53 -0.18 0.08 0.02 0.00 0.00 175.26 175.69 1q81 s VAL 131 N -0.46 2.69 -0.23 2.63 1.01 0.29 -1.97 120.40 124.36 1q81 s VAL 131 Ca 0.07 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1q81 s VAL 131 Cb -0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1q81 s VAL 131 CO 0.02 0.58 0.30 -0.63 0.00 0.00 0.00 175.10 175.37 1q81 s ILE 132 N -0.47 5.25 -0.00 2.22 1.01 -0.71 -0.82 121.20 127.69 1q81 s ILE 132 Ca 0.06 0.47 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1q81 s ILE 132 Cb -0.12 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1q81 s ILE 132 CO 0.01 0.26 -0.18 -0.76 0.00 0.00 0.00 174.94 174.27 1q81 s LEU 133 N 1.43 2.06 -0.06 2.97 1.02 0.17 -0.48 118.68 125.78 1q81 s LEU 133 Ca 0.14 -0.36 0.03 0.00 0.02 0.00 0.00 54.13 53.96 1q81 s LEU 133 Cb -0.15 -0.91 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 1q81 s LEU 133 CO 0.07 0.20 -0.14 -0.63 0.02 0.00 0.00 176.35 175.87 1q81 s ILE 134 N -0.50 3.03 -0.63 -0.59 -1.09 0.04 -0.04 121.20 121.42 1q81 s ILE 134 Ca 0.07 -0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 57.52 1q81 s ILE 134 Cb -0.07 -2.20 0.05 0.00 -1.58 0.00 0.00 42.46 38.66 1q81 s ILE 134 CO -0.00 0.58 1.02 -0.62 -1.23 0.00 0.00 174.94 174.69 1q81 s ASP 135 N -0.52 6.24 0.00 3.58 -1.08 0.52 -1.52 116.67 123.89 1q81 s ASP 135 Ca 0.07 -0.64 0.18 0.00 -0.52 0.00 0.00 52.55 51.64 1q81 s ASP 135 Cb -0.12 -2.45 1.04 0.00 -1.46 0.00 0.00 42.92 39.93 1q81 s ASP 135 CO 0.01 -1.44 1.48 -0.81 0.52 0.00 0.00 175.17 174.94 1q81 n PRO 136 N 7.94 0.50 -0.01 4.34 -0.04 -1.26 -2.61 135.00 143.86 1q81 n PRO 136 Ca -0.00 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1q81 n PRO 136 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 1q81 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1q81 n ASP 137 N -1.06 0.91 -4.69 3.54 8.00 -1.26 -4.73 116.55 117.26 1q81 n ASP 137 Ca 0.12 -0.18 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 1q81 n ASP 137 Cb 0.08 1.66 -0.03 0.00 -0.02 0.00 0.00 41.12 42.81 1q81 n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1q81 s HIS 138 N -3.12 3.35 0.99 1.24 2.46 -1.07 -4.92 115.29 114.21 1q81 s HIS 138 Ca -0.04 1.39 -0.12 0.00 0.47 0.00 0.00 55.06 56.76 1q81 s HIS 138 Cb 0.12 -3.31 0.18 0.00 -0.13 0.00 0.00 32.58 29.44 1q81 s HIS 138 CO 0.73 -0.81 1.08 -1.25 -2.47 0.00 0.00 174.74 172.02 1q81 s PRO 139 N 2.07 0.47 0.00 2.88 0.04 -1.26 -1.76 135.00 137.44 1q81 s PRO 139 Ca 0.53 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1q81 s PRO 139 Cb -0.22 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1q81 s PRO 139 CO 0.20 -2.80 0.00 0.00 0.04 0.00 0.00 177.00 174.44 1q81 n ALA 140 N -4.28 0.00 -0.06 8.56 0.00 -1.26 -4.47 120.51 118.99 1q81 n ALA 140 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1q81 n ALA 140 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1q81 n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q81 n ILE 141 N -0.32 0.69 0.28 0.00 5.41 -0.90 -3.63 119.36 120.89 1q81 n ILE 141 Ca 0.00 -0.21 0.13 0.00 1.00 0.00 0.00 62.75 63.67 1q81 n ILE 141 Cb 0.00 -1.36 0.80 0.00 -0.71 0.00 0.00 39.64 38.38 1q81 n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1q81 h LYS 142 N -0.27 0.00 -0.06 0.38 1.57 -1.57 -1.19 116.57 115.44 1q81 h LYS 142 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1q81 h LYS 142 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1q81 h LYS 142 CO -0.13 0.03 0.00 0.43 -0.57 0.00 0.00 179.45 179.21 1q81 n SER 143 N -3.98 3.03 -4.68 0.86 7.64 -1.26 -4.81 113.62 110.42 1q81 n SER 143 Ca -0.03 -2.00 -0.39 0.00 1.01 0.00 0.00 58.87 57.46 1q81 n SER 143 Cb 0.12 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1q81 n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q81 s ASP 144 N -1.95 6.73 0.21 6.43 -1.08 -0.45 -4.89 116.67 121.66 1q81 s ASP 144 Ca 0.29 0.88 0.23 0.00 -0.52 0.00 0.00 52.55 53.43 1q81 s ASP 144 Cb 0.20 -2.34 0.92 0.00 -1.46 0.00 0.00 42.92 40.24 1q81 s ASP 144 CO 0.30 -0.18 1.70 0.47 0.52 0.00 0.00 175.17 177.98 1q81 n ASP 145 N 4.50 0.59 -0.65 -0.34 8.00 -1.26 -1.63 116.55 125.75 1q81 n ASP 145 Ca -0.03 0.63 0.09 0.00 0.71 0.00 0.00 54.79 56.18 1q81 n ASP 145 Cb 0.50 -0.76 0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1q81 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n GLN 146 N -2.13 1.46 0.00 -1.24 6.02 -1.26 -4.60 117.38 115.62 1q81 n GLN 146 Ca 0.03 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.58 1q81 n GLN 146 Cb 0.26 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1q81 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1q81 n LEU 147 N 0.83 0.00 0.00 1.08 4.77 -1.19 -4.82 117.00 117.67 1q81 n LEU 147 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1q81 n LEU 147 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1q81 n LEU 147 CO 0.12 0.00 0.49 -1.54 -1.33 0.00 0.00 177.39 175.13 1q81 n SER 148 N -1.27 0.00 0.17 -1.43 3.41 -0.65 -1.31 113.62 112.55 1q81 n SER 148 Ca 0.00 0.20 0.02 0.00 -0.26 0.00 0.00 58.87 58.84 1q81 n SER 148 Cb 0.23 -0.20 0.30 0.00 -0.26 0.00 0.00 64.21 64.27 1q81 n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1q81 h TRP 149 N 0.00 0.00 0.00 7.33 5.08 -1.87 -2.43 115.95 124.06 1q81 h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1q81 h TRP 149 Cb 0.55 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 1q81 h TRP 149 CO 0.00 0.46 0.00 1.51 -1.28 0.00 0.00 178.44 179.13 1q81 n ILE 150 N -3.84 0.51 0.07 0.12 3.06 -0.43 -2.89 119.36 115.96 1q81 n ILE 150 Ca -0.01 0.12 -0.06 0.00 -2.50 0.00 0.00 62.75 60.30 1q81 n ILE 150 Cb 0.50 -0.76 -0.09 0.00 0.54 0.00 0.00 39.64 39.84 1q81 n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1q81 h SER 151 N 0.00 0.00 -1.91 9.51 0.02 -1.61 -3.45 113.55 116.10 1q81 h SER 151 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1q81 h SER 151 Cb 0.38 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.06 1q81 h SER 151 CO 0.00 0.95 -0.51 0.54 -1.14 0.00 0.00 176.83 176.67 1q81 n ARG 152 N -3.40 0.39 -0.14 3.45 5.12 -1.14 -4.86 116.66 116.08 1q81 n ARG 152 Ca -0.00 0.14 -0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1q81 n ARG 152 Cb 0.90 -1.31 0.25 0.00 -1.16 0.00 0.00 32.46 31.15 1q81 n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1q81 h THR 153 N 0.84 1.19 0.00 0.55 2.02 -1.91 -2.21 112.91 113.39 1q81 h THR 153 Ca -0.37 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1q81 h THR 153 Cb 1.41 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1q81 h THR 153 CO 0.52 0.22 0.00 0.54 0.37 0.00 0.00 175.52 177.18 1q81 n ARG 154 N -4.37 0.04 0.00 6.66 1.74 -1.26 -1.64 116.66 117.83 1q81 n ARG 154 Ca 0.05 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 1q81 n ARG 154 Cb 0.12 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.11 1q81 n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1q81 n HIS 155 N -1.01 0.00 -1.58 -1.55 8.25 -0.83 -5.00 115.22 113.49 1q81 n HIS 155 Ca 0.01 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.93 1q81 n HIS 155 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1q81 n HIS 155 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q81 n ARG 156 N 0.62 0.92 -3.75 -0.41 1.74 -0.65 -2.29 116.66 112.83 1q81 n ARG 156 Ca 0.07 0.33 -0.31 0.00 -0.77 0.00 0.00 57.85 57.17 1q81 n ARG 156 Cb 0.29 -1.95 0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1q81 n ARG 156 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1q81 n LEU 157 N 2.55 -2.62 0.14 0.55 4.77 -1.26 -4.93 117.00 116.19 1q81 n LEU 157 Ca 0.19 -1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.00 1q81 n LEU 157 Cb 0.16 -2.34 -0.08 0.00 -2.33 0.00 0.00 43.42 38.84 1q81 n LEU 157 CO 0.64 0.48 0.57 0.03 -1.33 0.00 0.00 177.39 177.78 1q81 h ARG 158 N -1.92 -0.68 -0.43 3.23 3.08 -1.82 -3.06 114.38 112.78 1q81 h ARG 158 Ca -0.66 0.05 0.08 0.00 0.07 0.00 0.00 59.98 59.52 1q81 h ARG 158 Cb 1.37 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 31.48 1q81 h ARG 158 CO 0.51 -0.46 -0.36 1.79 -1.07 0.00 0.00 179.97 180.38 1q81 h THR 159 N -0.71 0.18 0.00 2.04 1.35 -1.90 0.11 112.91 113.98 1q81 h THR 159 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1q81 h THR 159 Cb 0.71 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1q81 h THR 159 CO -0.22 0.00 0.23 -0.26 -0.25 0.00 0.00 175.52 175.02 1q81 h PHE 160 N -0.27 0.00 -0.12 4.73 -1.00 -1.93 0.50 116.94 118.86 1q81 h PHE 160 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1q81 h PHE 160 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1q81 h PHE 160 CO -0.58 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 176.66 1q81 n ARG 161 N -2.22 1.28 -1.04 1.51 1.74 0.32 -4.98 116.66 113.27 1q81 n ARG 161 Ca -0.01 -1.42 -0.01 0.00 -0.77 0.00 0.00 57.85 55.63 1q81 n ARG 161 Cb 0.26 -1.21 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 1q81 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 162 N 0.51 0.51 0.22 -0.13 0.00 0.18 -4.91 105.19 101.57 1q81 n GLY 162 Ca 0.07 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.43 1q81 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q81 n LEU 163 N -0.17 0.64 -4.92 0.99 4.77 -0.96 -2.93 117.00 114.41 1q81 n LEU 163 Ca -0.01 -0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 1q81 n LEU 163 Cb 0.06 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1q81 n LEU 163 CO 0.02 0.15 0.86 0.28 -1.33 0.00 0.00 177.39 177.36 1q81 s THR 164 N -1.88 2.00 0.00 -5.08 -1.32 -1.26 -4.83 115.64 103.26 1q81 s THR 164 Ca 0.20 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1q81 s THR 164 Cb 0.10 -3.00 -0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1q81 s THR 164 CO 0.15 0.00 1.00 0.77 -2.21 0.00 0.00 174.62 174.34 1q81 h SER 165 N -1.51 -0.01 0.47 8.08 4.64 -1.89 -1.49 113.55 121.85 1q81 h SER 165 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1q81 h SER 165 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1q81 h SER 165 CO 0.45 -0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.38 1q81 h ALA 166 N -1.80 1.04 -0.10 5.18 0.00 -1.94 -2.58 119.26 119.06 1q81 h ALA 166 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q81 h ALA 166 Cb 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1q81 h ALA 166 CO 0.00 0.02 0.04 0.78 0.00 0.00 0.00 179.25 180.09 1q81 h GLY 167 N 0.96 0.16 1.49 0.00 0.00 -1.70 -0.56 103.07 103.43 1q81 h GLY 167 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1q81 h GLY 167 CO 0.00 0.08 -0.59 3.21 0.00 0.00 0.00 176.54 179.24 1q81 h ARG 168 N 0.01 0.52 -0.18 4.80 3.08 -0.89 -2.13 114.38 119.60 1q81 h ARG 168 Ca 0.03 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1q81 h ARG 168 Cb 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1q81 h ARG 168 CO -0.00 0.96 0.02 0.00 -1.07 0.00 0.00 179.97 179.88 1q81 h ARG 169 N 0.39 0.30 0.00 0.04 3.08 -1.42 -1.92 114.38 114.85 1q81 h ARG 169 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1q81 h ARG 169 Cb 1.14 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1q81 h ARG 169 CO 0.11 0.49 -0.06 0.00 -1.07 0.00 0.00 179.97 179.44 1q81 n ARG 171 N -3.80 0.95 -1.22 0.00 1.74 -0.76 -4.86 116.66 108.72 1q81 n ARG 171 Ca -0.02 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 1q81 n ARG 171 Cb 0.15 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1q81 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 172 N 0.59 0.96 0.91 -0.13 0.00 -0.50 -4.88 105.19 102.14 1q81 n GLY 172 Ca 0.07 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.49 1q81 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q81 n LEU 173 N -0.86 2.63 0.28 0.99 4.77 -0.99 -4.52 117.00 119.30 1q81 n LEU 173 Ca -0.08 -1.32 -0.15 0.00 -0.03 0.00 0.00 56.01 54.43 1q81 n LEU 173 Cb 0.25 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1q81 n LEU 173 CO 0.11 0.61 0.58 0.03 -1.33 0.00 0.00 177.39 177.40 1q81 h ARG 174 N 2.71 -0.68 -6.89 3.23 3.08 -1.83 -3.44 114.38 110.56 1q81 h ARG 174 Ca 0.00 0.05 -0.47 0.00 0.07 0.00 0.00 59.98 59.62 1q81 h ARG 174 Cb 0.70 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1q81 h ARG 174 CO 0.03 -0.39 0.37 0.20 -1.07 0.00 0.00 179.97 179.11 1q81 s GLY 175 N -2.36 2.82 0.02 0.04 0.00 -1.26 -4.94 107.32 101.63 1q81 s GLY 175 Ca -0.16 0.60 0.23 0.00 0.00 0.00 0.00 44.72 45.39 1q81 s GLY 175 CO 0.56 1.05 1.09 -1.06 0.00 0.00 0.00 173.10 174.74 1q81 n GLN 176 N 0.51 0.12 0.00 2.90 6.02 -1.26 -4.74 117.38 120.93 1q81 n GLN 176 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1q81 n GLN 176 Cb 0.49 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1q81 n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q81 n GLY 177 N 1.45 1.36 3.63 1.08 0.00 -1.26 -4.95 105.19 106.50 1q81 n GLY 177 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1q81 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q81 n LYS 178 N 0.00 1.65 0.00 1.61 4.81 -1.26 -2.28 118.16 122.69 1q81 n LYS 178 Ca 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1q81 n LYS 178 Cb 0.00 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1q81 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q81 n GLY 179 N 1.15 1.53 1.10 3.14 0.00 -1.26 -4.90 105.19 105.95 1q81 n GLY 179 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1q81 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q81 n SER 180 N 0.00 3.41 0.10 1.61 3.41 -0.97 -4.69 113.62 116.49 1q81 n SER 180 Ca 0.00 -3.33 -0.12 0.00 -0.26 0.00 0.00 58.87 55.15 1q81 n SER 180 Cb 0.00 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.29 1q81 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1q81 h GLU 181 N 1.51 -0.28 -0.22 4.33 3.07 -1.90 -2.12 114.58 118.96 1q81 h GLU 181 Ca 0.12 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1q81 h GLU 181 Cb 1.63 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 1q81 h GLU 181 CO 0.35 -0.19 0.00 1.63 -1.40 0.00 0.00 179.01 179.40 1q81 n LYS 182 N -5.26 1.86 -0.08 2.33 4.76 -1.26 -4.29 118.16 116.21 1q81 n LYS 182 Ca -0.07 -1.30 -0.09 0.00 -2.87 0.00 0.00 58.31 53.98 1q81 n LYS 182 Cb 0.18 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 1q81 n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1q81 n VAL 183 N 0.53 1.46 -3.09 -0.18 0.31 -0.97 -4.38 118.33 112.01 1q81 n VAL 183 Ca 0.16 0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 64.26 1q81 n VAL 183 Cb 0.37 -2.32 -0.06 0.00 -0.91 0.00 0.00 33.84 30.92 1q81 n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1q81 s ARG 184 N -2.46 4.27 0.00 5.55 3.52 -0.84 -2.28 118.95 126.71 1q81 s ARG 184 Ca -0.22 0.89 0.27 0.00 -0.13 0.00 0.00 55.73 56.54 1q81 s ARG 184 Cb 0.04 -2.91 0.92 0.00 -1.56 0.00 0.00 34.95 31.44 1q81 s ARG 184 CO 0.33 0.41 1.69 -0.35 -0.81 0.00 0.00 175.30 176.57 1q81 n PRO 185 N 0.79 0.20 -3.57 5.12 -0.04 -1.26 -4.89 135.00 131.35 1q81 n PRO 185 Ca -0.03 -0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 1q81 n PRO 185 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1q81 n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1q81 s SER 186 N -2.85 -0.54 0.07 3.54 1.04 -0.97 -5.03 113.70 108.95 1q81 s SER 186 Ca 0.17 0.72 -0.36 0.00 0.48 0.00 0.00 55.95 56.96 1q81 s SER 186 Cb 0.19 0.62 -0.20 0.00 0.10 0.00 0.00 66.02 66.73 1q81 s SER 186 CO 0.58 -0.41 1.60 -0.07 0.98 0.00 0.00 173.24 175.92 1q81 h LEU 187 N 3.27 -0.99 -0.83 2.42 3.38 -1.79 -2.50 115.31 118.26 1q81 h LEU 187 Ca -0.24 0.04 0.20 0.00 0.09 0.00 0.00 57.88 57.96 1q81 h LEU 187 Cb 1.16 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 42.04 1q81 h LEU 187 CO 0.28 -0.70 0.26 -0.09 0.09 0.00 0.00 178.44 178.28 1q81 h ARG 188 N -1.16 0.29 0.00 1.13 2.43 -1.91 0.78 114.38 115.93 1q81 h ARG 188 Ca -0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1q81 h ARG 188 Cb 0.89 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1q81 h ARG 188 CO 0.19 0.19 0.00 -0.24 -1.51 0.00 0.00 179.97 178.60 1q81 h VAL 189 N 0.29 0.00 -0.71 0.20 3.04 -1.92 -2.35 116.25 114.81 1q81 h VAL 189 Ca 0.50 -0.24 -0.18 0.00 -1.01 0.00 0.00 66.70 65.77 1q81 h VAL 189 Cb 0.93 1.02 -0.11 0.00 -2.01 0.00 0.00 31.29 31.12 1q81 h VAL 189 CO -0.56 0.00 0.23 0.59 -1.01 0.00 0.00 177.57 176.82 1q81 n ASN 190 N -2.55 4.95 -0.22 3.17 3.02 0.27 -4.89 115.26 119.01 1q81 n ASN 190 Ca 0.01 -3.15 -0.03 0.00 -0.03 0.00 0.00 54.58 51.37 1q81 n ASN 190 Cb 0.20 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.62 1q81 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q81 n GLY 191 N -0.01 0.50 3.40 7.41 0.00 -0.88 -3.75 105.19 111.85 1q81 n GLY 191 Ca 0.39 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 1q81 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 n ALA 192 N 1.05 -2.54 -1.10 4.61 0.00 -0.92 -4.95 120.51 116.65 1q81 n ALA 192 Ca -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1q81 n ALA 192 Cb 0.29 -3.88 0.10 0.00 0.00 0.00 0.00 19.45 15.95 1q81 n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q81 n LYS 193 N -3.20 1.23 0.00 0.00 5.02 -1.25 -5.06 118.16 114.90 1q81 n LYS 193 Ca -0.08 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 1q81 n LYS 193 Cb 0.59 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1q81 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88