#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n GLU 5 N 0.00 -4.72 -3.38 0.00 1.02 -1.26 -5.03 120.64 107.27 1q81 n GLU 5 Ca 0.00 3.34 -0.13 0.00 -0.02 0.00 0.00 57.16 60.35 1q81 n GLU 5 Cb 0.00 -3.81 -0.09 0.00 -0.02 0.00 0.00 31.44 27.52 1q81 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1q81 s PHE 6 N -0.45 -0.67 -0.75 -0.32 5.36 -1.26 -5.07 117.98 114.82 1q81 s PHE 6 Ca 0.00 0.38 -0.24 0.00 -0.96 0.00 0.00 56.93 56.11 1q81 s PHE 6 Cb 0.00 -0.20 -0.18 0.00 -0.34 0.00 0.00 43.02 42.30 1q81 s PHE 6 CO 0.00 -0.79 1.89 -0.25 -1.46 0.00 0.00 175.22 174.60 1q81 n ASP 7 N 5.34 2.38 -4.63 6.13 8.00 -1.26 -4.90 116.55 127.62 1q81 n ASP 7 Ca -0.03 -2.65 -0.43 0.00 0.71 0.00 0.00 54.79 52.39 1q81 n ASP 7 Cb 0.49 -1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 40.40 1q81 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 s ALA 8 N 6.82 3.31 0.49 2.24 0.00 -1.26 -4.80 121.76 128.57 1q81 s ALA 8 Ca 0.62 0.09 0.31 0.00 0.00 0.00 0.00 51.96 52.98 1q81 s ALA 8 Cb 0.11 -3.80 1.71 0.00 0.00 0.00 0.00 23.12 21.14 1q81 s ALA 8 CO 0.16 -1.87 2.17 -0.44 0.00 0.00 0.00 175.76 175.78 1q81 h ASP 9 N 9.59 0.00 -3.56 0.00 3.32 -1.24 -3.41 116.42 121.12 1q81 h ASP 9 Ca -0.27 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.52 1q81 h ASP 9 Cb 1.10 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 1q81 h ASP 9 CO 1.04 0.06 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.26 1q81 s VAL 10 N -4.30 -0.04 -0.17 -1.35 1.01 -0.96 -5.00 120.40 109.59 1q81 s VAL 10 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1q81 s VAL 10 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.39 1q81 s VAL 10 CO 0.55 0.06 -0.16 -0.63 0.00 0.00 0.00 175.10 174.91 1q81 s ILE 11 N 0.79 2.52 -0.07 2.22 1.01 -1.26 -1.92 121.20 124.49 1q81 s ILE 11 Ca -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1q81 s ILE 11 Cb -0.09 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1q81 s ILE 11 CO -0.03 0.51 -0.09 -0.69 0.00 0.00 0.00 174.94 174.65 1q81 s VAL 12 N 1.02 3.52 -0.23 2.92 1.01 0.08 -1.61 120.40 127.11 1q81 s VAL 12 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1q81 s VAL 12 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1q81 s VAL 12 CO -0.04 0.59 0.20 -0.62 0.00 0.00 0.00 175.10 175.23 1q81 s ASP 13 N -0.64 6.18 0.05 3.32 -1.08 0.62 -0.29 116.67 124.81 1q81 s ASP 13 Ca 0.10 0.19 0.24 0.00 -0.52 0.00 0.00 52.55 52.55 1q81 s ASP 13 Cb -0.11 -2.13 0.23 0.00 -1.46 0.00 0.00 42.92 39.45 1q81 s ASP 13 CO 0.02 0.04 1.19 0.00 0.52 0.00 0.00 175.17 176.94 1q81 n ALA 14 N 4.31 3.44 -1.66 3.66 0.00 -0.45 -4.71 120.51 125.10 1q81 n ALA 14 Ca -0.14 -0.37 -0.55 0.00 0.00 0.00 0.00 53.44 52.39 1q81 n ALA 14 Cb 0.52 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 1q81 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1q81 n ARG 15 N -1.83 1.20 -2.65 0.00 0.63 -1.26 -0.35 116.66 112.40 1q81 n ARG 15 Ca 0.03 0.44 -0.20 0.00 -0.92 0.00 0.00 57.85 57.19 1q81 n ARG 15 Cb 0.40 -2.11 0.01 0.00 0.45 0.00 0.00 32.46 31.21 1q81 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1q81 n ASP 16 N 4.09 -5.64 -4.33 6.15 9.92 -0.47 -4.94 116.55 121.34 1q81 n ASP 16 Ca 0.23 -0.10 -0.30 0.00 -0.53 0.00 0.00 54.79 54.09 1q81 n ASP 16 Cb 0.16 -4.66 -0.15 0.00 -0.64 0.00 0.00 41.12 35.84 1q81 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q81 s ILE 18 N -0.77 3.39 0.08 0.00 1.01 0.17 -1.15 121.20 123.93 1q81 s ILE 18 Ca 0.11 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 1q81 s ILE 18 Cb -0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1q81 s ILE 18 CO 0.02 -0.87 0.84 0.80 0.00 0.00 0.00 174.94 175.73 1q81 n MET 19 N 9.07 -0.23 -0.29 2.79 0.00 -0.38 -0.11 117.12 127.98 1q81 n MET 19 Ca 0.20 0.83 0.01 0.00 -0.00 0.00 0.00 57.70 58.74 1q81 n MET 19 Cb 0.51 -1.22 0.21 0.00 0.00 0.00 0.00 33.22 32.72 1q81 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1q81 h GLY 20 N 0.00 1.24 2.00 -5.12 0.00 -1.90 0.20 103.07 99.49 1q81 h GLY 20 Ca 0.08 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1q81 h GLY 20 CO -0.48 0.40 -0.39 3.21 0.00 0.00 0.00 176.54 179.28 1q81 h ARG 21 N 1.12 0.00 0.25 4.80 3.08 -0.90 0.52 114.38 123.25 1q81 h ARG 21 Ca 0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 1q81 h ARG 21 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1q81 h ARG 21 CO -0.09 0.39 -0.12 0.28 -1.07 0.00 0.00 179.97 179.36 1q81 h VAL 22 N 0.00 0.22 -0.90 2.04 2.07 -0.30 -3.20 116.25 116.19 1q81 h VAL 22 Ca -0.00 -0.85 0.25 0.00 0.82 0.00 0.00 66.70 66.91 1q81 h VAL 22 Cb 0.73 0.38 -0.15 0.00 -1.52 0.00 0.00 31.29 30.74 1q81 h VAL 22 CO 0.05 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.96 1q81 h ALA 23 N -0.91 1.34 -0.18 1.67 0.00 -0.52 0.36 119.26 121.02 1q81 h ALA 23 Ca -0.03 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1q81 h ALA 23 Cb 0.36 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1q81 h ALA 23 CO 0.06 -0.49 -0.05 1.03 0.00 0.00 0.00 179.25 179.79 1q81 h SER 24 N 0.20 -0.19 0.05 0.00 0.87 -0.97 -1.25 113.55 112.27 1q81 h SER 24 Ca 0.58 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 61.04 1q81 h SER 24 Cb 1.19 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1q81 h SER 24 CO -0.67 -0.07 -0.51 1.56 -0.53 0.00 0.00 176.83 176.62 1q81 h GLN 25 N -0.01 0.51 0.00 2.24 4.20 -1.12 -2.49 115.11 118.44 1q81 h GLN 25 Ca 0.09 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 1q81 h GLN 25 Cb 0.15 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1q81 h GLN 25 CO -0.19 0.90 -0.31 0.28 -0.67 0.00 0.00 178.83 178.83 1q81 h VAL 26 N 0.40 1.19 0.17 -0.54 2.07 -0.75 -1.43 116.25 117.36 1q81 h VAL 26 Ca 0.02 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1q81 h VAL 26 Cb 1.02 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1q81 h VAL 26 CO 0.09 0.30 -0.08 0.00 0.02 0.00 0.00 177.57 177.90 1q81 h ALA 27 N 1.69 -0.23 -1.08 1.67 0.00 -1.09 -2.47 119.26 117.75 1q81 h ALA 27 Ca -0.00 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.00 1q81 h ALA 27 Cb 0.56 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1q81 h ALA 27 CO 0.04 -0.29 0.67 1.49 0.00 0.00 0.00 179.25 181.16 1q81 h GLU 28 N -0.92 0.35 0.02 0.00 4.57 -1.29 -0.75 114.58 116.57 1q81 h GLU 28 Ca -0.02 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1q81 h GLU 28 Cb 0.49 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1q81 h GLU 28 CO 0.04 0.23 -0.24 1.96 -1.18 0.00 0.00 179.01 179.82 1q81 h GLN 29 N 0.36 0.12 -0.40 1.92 4.20 -1.30 -3.10 115.11 116.92 1q81 h GLN 29 Ca 0.67 -0.16 0.09 0.00 0.06 0.00 0.00 58.65 59.30 1q81 h GLN 29 Cb 1.67 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.49 1q81 h GLN 29 CO -0.40 0.99 0.28 0.00 -0.67 0.00 0.00 178.83 179.02 1q81 h ALA 30 N 0.14 2.19 0.00 3.87 0.00 -0.84 0.54 119.26 125.17 1q81 h ALA 30 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1q81 h ALA 30 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1q81 h ALA 30 CO 0.05 -0.29 0.00 -0.07 0.00 0.00 0.00 179.25 178.94 1q81 h LEU 31 N 0.14 0.00 -1.66 0.00 3.38 -1.23 -2.01 115.31 113.94 1q81 h LEU 31 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1q81 h LEU 31 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1q81 h LEU 31 CO -0.02 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.98 1q81 n ASP 32 N -2.50 2.42 0.00 -0.43 8.00 0.18 -4.90 116.55 119.32 1q81 n ASP 32 Ca 0.04 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1q81 n ASP 32 Cb 0.40 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1q81 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q81 n GLY 33 N 1.24 0.79 3.72 0.44 0.00 -0.75 -5.06 105.19 105.56 1q81 n GLY 33 Ca 0.16 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1q81 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 34 N -0.59 4.43 -0.27 1.61 0.41 -0.80 -4.97 118.70 118.51 1q81 s GLU 34 Ca 0.00 0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 55.17 1q81 s GLU 34 Cb 0.00 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 1q81 s GLU 34 CO 0.00 0.13 0.87 0.99 -0.49 0.00 0.00 175.26 176.76 1q81 s THR 35 N 0.59 4.77 0.11 3.63 2.01 -1.26 -3.89 115.64 121.59 1q81 s THR 35 Ca 0.36 1.53 0.09 0.00 0.31 0.00 0.00 61.69 63.98 1q81 s THR 35 Cb -0.18 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1q81 s THR 35 CO 0.18 -0.19 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.01 1q81 s VAL 36 N 3.02 1.88 -0.07 3.82 1.01 -0.96 -0.67 120.40 128.42 1q81 s VAL 36 Ca 0.36 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.74 1q81 s VAL 36 Cb -0.14 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1q81 s VAL 36 CO 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 175.10 175.10 1q81 s ALA 37 N -1.14 1.06 -0.18 5.51 0.00 -0.81 -0.89 121.76 125.32 1q81 s ALA 37 Ca 0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1q81 s ALA 37 Cb -0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1q81 s ALA 37 CO 0.05 -0.12 0.20 0.08 0.00 0.00 0.00 175.76 175.97 1q81 s VAL 38 N 1.14 5.37 0.06 0.00 1.01 0.95 -0.74 120.40 128.18 1q81 s VAL 38 Ca -0.07 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1q81 s VAL 38 Cb -0.14 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1q81 s VAL 38 CO -0.01 0.43 -0.13 -0.69 0.00 0.00 0.00 175.10 174.70 1q81 s VAL 39 N 0.31 3.18 -1.03 2.92 1.01 0.60 0.19 120.40 127.57 1q81 s VAL 39 Ca 0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1q81 s VAL 39 Cb -0.12 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1q81 s VAL 39 CO 0.01 0.26 0.89 0.59 0.00 0.00 0.00 175.10 176.85 1q81 n ASN 40 N 1.24 -4.60 -0.11 3.32 3.02 0.33 -1.33 115.26 117.12 1q81 n ASN 40 Ca -0.15 -0.44 -0.08 0.00 -0.03 0.00 0.00 54.58 53.88 1q81 n ASN 40 Cb 0.52 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 1q81 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q81 h ALA 41 N 0.77 -0.27 0.00 5.41 0.00 -1.65 0.23 119.26 123.75 1q81 h ALA 41 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1q81 h ALA 41 Cb 1.28 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1q81 h ALA 41 CO 0.43 -0.77 0.47 -0.85 0.00 0.00 0.00 179.25 178.52 1q81 n GLU 42 N -5.42 0.05 -0.16 0.00 0.00 -1.26 0.68 120.64 114.52 1q81 n GLU 42 Ca 0.00 0.46 0.06 0.00 0.00 0.00 0.00 57.16 57.68 1q81 n GLU 42 Cb 0.34 -2.12 0.15 0.00 0.00 0.00 0.00 31.44 29.81 1q81 n GLU 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1q81 n ARG 43 N -1.78 2.67 -1.62 3.44 1.74 0.82 -2.36 116.66 119.58 1q81 n ARG 43 Ca -0.00 -1.98 -0.31 0.00 -0.77 0.00 0.00 57.85 54.79 1q81 n ARG 43 Cb 0.48 -1.27 0.05 0.00 -1.02 0.00 0.00 32.46 30.70 1q81 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q81 s ALA 44 N -0.99 2.68 0.11 7.54 0.00 0.21 -1.36 121.76 129.94 1q81 s ALA 44 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1q81 s ALA 44 Cb 0.12 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1q81 s ALA 44 CO 0.16 -1.23 -0.09 0.54 0.00 0.00 0.00 175.76 175.14 1q81 s VAL 45 N -3.09 0.90 -0.04 0.00 0.11 -0.30 -1.04 120.40 116.94 1q81 s VAL 45 Ca 0.58 -1.82 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1q81 s VAL 45 Cb -0.14 -1.56 0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1q81 s VAL 45 CO 0.55 -0.71 0.00 -0.51 -3.33 0.00 0.00 175.10 171.10 1q81 s ILE 46 N -3.02 0.22 0.65 7.04 2.07 -0.55 -1.25 121.20 126.36 1q81 s ILE 46 Ca 0.10 0.09 -0.14 0.00 -1.41 0.00 0.00 60.65 59.29 1q81 s ILE 46 Cb 0.01 -0.33 -0.00 0.00 0.13 0.00 0.00 42.46 42.27 1q81 s ILE 46 CO -0.01 0.17 1.09 -0.89 -1.91 0.00 0.00 174.94 173.38 1q81 s THR 47 N 1.22 3.51 0.00 4.00 2.01 -1.26 -1.23 115.64 123.89 1q81 s THR 47 Ca -0.07 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1q81 s THR 47 Cb -0.13 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1q81 s THR 47 CO -0.02 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1q81 n GLY 48 N -0.89 2.03 3.59 4.40 0.00 -0.99 -4.88 105.19 108.45 1q81 n GLY 48 Ca 0.09 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1q81 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q81 s ARG 49 N -1.51 3.57 0.20 1.61 3.52 -1.26 -3.27 118.95 121.82 1q81 s ARG 49 Ca 0.00 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.89 1q81 s ARG 49 Cb 0.00 -3.99 0.31 0.00 -1.56 0.00 0.00 34.95 29.72 1q81 s ARG 49 CO 0.00 -1.60 1.15 -1.91 -0.81 0.00 0.00 175.30 172.13 1q81 n GLU 50 N 8.27 -0.08 -0.13 5.12 2.13 -1.26 -1.18 120.64 133.51 1q81 n GLU 50 Ca 0.10 1.15 -0.04 0.00 0.66 0.00 0.00 57.16 59.02 1q81 n GLU 50 Cb 0.49 -1.71 0.04 0.00 0.27 0.00 0.00 31.44 30.53 1q81 n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1q81 h GLU 51 N 0.00 0.21 0.15 5.31 3.07 -1.99 -0.75 114.58 120.58 1q81 h GLU 51 Ca 0.34 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1q81 h GLU 51 Cb 0.52 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1q81 h GLU 51 CO -0.75 0.14 -0.07 -0.56 -1.40 0.00 0.00 179.01 176.36 1q81 h GLN 52 N 0.22 -0.19 -1.03 2.33 -0.00 -1.56 -2.48 115.11 112.39 1q81 h GLN 52 Ca 0.21 0.01 0.28 0.00 -0.00 0.00 0.00 58.65 59.15 1q81 h GLN 52 Cb 0.26 0.04 -0.12 0.00 -0.00 0.00 0.00 27.48 27.66 1q81 h GLN 52 CO -0.28 0.10 0.63 0.82 -0.00 0.00 0.00 178.83 180.10 1q81 h ILE 53 N -0.50 0.46 0.00 1.86 2.04 -1.13 0.53 117.51 120.77 1q81 h ILE 53 Ca -0.02 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.55 1q81 h ILE 53 Cb 0.39 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1q81 h ILE 53 CO 0.03 0.08 -0.67 0.58 0.00 0.00 0.00 178.15 178.18 1q81 h VAL 54 N 0.45 1.26 -0.38 1.67 2.07 -1.04 -2.94 116.25 117.34 1q81 h VAL 54 Ca 0.66 -2.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.58 1q81 h VAL 54 Cb 1.48 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1q81 h VAL 54 CO -0.45 0.66 -0.20 -0.33 0.02 0.00 0.00 177.57 177.26 1q81 h GLU 55 N 0.00 0.73 0.66 1.57 5.08 0.50 0.20 114.58 123.32 1q81 h GLU 55 Ca -0.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1q81 h GLU 55 Cb 1.38 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1q81 h GLU 55 CO 0.09 0.87 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.43 1q81 h LYS 56 N 0.64 -0.86 -0.96 2.33 3.64 -1.24 -1.03 116.57 119.09 1q81 h LYS 56 Ca 0.09 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1q81 h LYS 56 Cb 0.69 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.62 1q81 h LYS 56 CO 0.05 -0.57 0.59 1.88 -2.27 0.00 0.00 179.45 179.13 1q81 h TYR 57 N -1.15 1.06 -0.38 1.91 -1.99 -1.50 0.92 116.97 115.84 1q81 h TYR 57 Ca -0.09 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.60 1q81 h TYR 57 Cb 0.68 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 1q81 h TYR 57 CO 0.02 0.41 -0.05 0.93 -0.00 0.00 0.00 178.16 179.46 1q81 h GLU 58 N 0.92 0.62 -0.53 4.88 5.08 -0.58 -1.95 114.58 123.02 1q81 h GLU 58 Ca 0.48 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1q81 h GLU 58 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1q81 h GLU 58 CO -0.27 0.68 0.12 -0.22 -1.00 0.00 0.00 179.01 178.32 1q81 h LYS 59 N 0.58 0.82 -0.29 2.33 1.63 0.53 -2.53 116.57 119.64 1q81 h LYS 59 Ca 0.11 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1q81 h LYS 59 Cb 0.44 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 1q81 h LYS 59 CO 0.02 0.75 -0.07 0.00 -3.45 0.00 0.00 179.45 176.69 1q81 h ARG 60 N 0.79 0.47 -0.30 1.90 3.08 -0.52 -1.41 114.38 118.39 1q81 h ARG 60 Ca 0.17 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1q81 h ARG 60 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1q81 h ARG 60 CO -0.00 0.55 -0.44 0.28 -1.07 0.00 0.00 179.97 179.29 1q81 h VAL 61 N 0.45 1.29 0.00 2.04 2.07 -1.09 -3.22 116.25 117.79 1q81 h VAL 61 Ca 0.09 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1q81 h VAL 61 Cb 0.41 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1q81 h VAL 61 CO 0.02 0.53 -0.28 0.44 0.02 0.00 0.00 177.57 178.30 1q81 h ASP 62 N 0.62 0.00 -4.20 0.57 3.32 -1.14 -3.46 116.42 112.14 1q81 h ASP 62 Ca 0.04 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.56 1q81 h ASP 62 Cb 1.01 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.72 1q81 h ASP 62 CO 0.10 0.28 0.36 -0.63 -1.72 0.00 0.00 179.24 177.64 1q81 s ILE 63 N -3.37 2.31 0.00 0.35 1.01 -0.57 -4.96 121.20 115.97 1q81 s ILE 63 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1q81 s ILE 63 Cb 0.09 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1q81 s ILE 63 CO 0.67 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1q81 n GLY 64 N 0.30 3.68 0.00 6.18 0.00 -1.26 -4.67 105.19 109.41 1q81 n GLY 64 Ca 0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1q81 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q81 n ASN 65 N 0.00 0.00 -0.26 1.61 0.23 -1.26 -4.95 115.26 110.63 1q81 n ASN 65 Ca 0.00 -0.67 -0.02 0.00 -0.53 0.00 0.00 54.58 53.36 1q81 n ASN 65 Cb 0.00 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 37.79 1q81 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1q81 h ASP 66 N 0.00 0.72 -0.67 0.53 3.32 -2.05 -0.47 116.42 117.80 1q81 h ASP 66 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1q81 h ASP 66 Cb 0.00 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1q81 h ASP 66 CO 0.00 0.48 0.44 -1.13 -1.72 0.00 0.00 179.24 177.32 1q81 h ASN 67 N 0.85 0.76 -4.67 6.45 -0.73 -2.05 -3.48 115.58 112.72 1q81 h ASN 67 Ca 0.30 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1q81 h ASN 67 Cb 0.07 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.47 1q81 h ASN 67 CO -0.13 0.55 0.00 0.61 -0.37 0.00 0.00 177.43 178.09 1q81 n GLY 68 N -1.44 0.54 2.63 1.57 0.00 -0.19 -5.00 105.19 103.31 1q81 n GLY 68 Ca 0.07 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 1q81 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q81 s TYR 69 N -2.68 -0.05 -0.44 1.61 5.04 -1.26 -4.76 117.35 114.81 1q81 s TYR 69 Ca 0.00 -1.30 -0.29 0.00 -2.44 0.00 0.00 57.07 53.04 1q81 s TYR 69 Cb 0.00 -0.46 0.02 0.00 0.35 0.00 0.00 41.96 41.87 1q81 s TYR 69 CO 0.00 -0.97 1.27 0.12 -1.34 0.00 0.00 175.55 174.62 1q81 s PHE 70 N 0.87 2.63 -0.11 4.97 5.36 -1.26 -4.77 117.98 125.66 1q81 s PHE 70 Ca 0.24 0.71 0.03 0.00 -0.96 0.00 0.00 56.93 56.96 1q81 s PHE 70 Cb -0.07 -4.35 0.00 0.00 -0.34 0.00 0.00 43.02 38.27 1q81 s PHE 70 CO -0.08 -1.60 -0.23 -0.47 -1.46 0.00 0.00 175.22 171.38 1q81 s TYR 71 N 4.88 2.61 0.86 10.12 5.04 -1.26 -5.12 117.35 134.47 1q81 s TYR 71 Ca 0.54 -1.13 -0.12 0.00 -2.44 0.00 0.00 57.07 53.92 1q81 s TYR 71 Cb -0.10 -1.75 0.09 0.00 0.35 0.00 0.00 41.96 40.55 1q81 s TYR 71 CO 0.31 -0.47 1.05 -0.35 -1.34 0.00 0.00 175.55 174.75 1q81 n PRO 72 N 3.70 -0.08 0.00 4.97 -0.04 -1.26 -4.87 135.00 137.42 1q81 n PRO 72 Ca -0.19 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1q81 n PRO 72 Cb 0.53 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1q81 n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q81 n LYS 73 N -3.27 3.09 -2.62 0.54 5.02 -1.26 -4.74 118.16 114.92 1q81 n LYS 73 Ca 0.12 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1q81 n LYS 73 Cb 0.51 -0.98 -0.05 0.00 -0.02 0.00 0.00 35.03 34.50 1q81 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q81 s ARG 74 N -1.94 4.25 0.29 1.97 1.81 -1.26 -4.30 118.95 119.76 1q81 s ARG 74 Ca 0.00 1.42 0.21 0.00 -1.72 0.00 0.00 55.73 55.65 1q81 s ARG 74 Cb 0.00 -2.54 1.06 0.00 -0.45 0.00 0.00 34.95 33.03 1q81 s ARG 74 CO 0.00 -0.05 1.65 -0.35 -0.68 0.00 0.00 175.30 175.87 1q81 n PRO 75 N -0.04 0.15 0.00 3.54 -0.04 -1.26 -1.71 135.00 135.64 1q81 n PRO 75 Ca 0.05 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1q81 n PRO 75 Cb 0.50 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1q81 n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1q81 n ASP 76 N -2.22 0.00 0.09 3.54 -0.08 -1.26 -2.79 116.55 113.82 1q81 n ASP 76 Ca -0.00 0.95 -0.13 0.00 -1.51 0.00 0.00 54.79 54.10 1q81 n ASP 76 Cb 0.10 -0.45 -0.08 0.00 2.34 0.00 0.00 41.12 43.03 1q81 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1q81 h GLY 77 N 0.00 -0.19 -0.59 0.27 0.00 -1.86 -3.08 103.07 97.63 1q81 h GLY 77 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.51 1q81 h GLY 77 CO 0.00 -0.07 -0.19 1.39 0.00 0.00 0.00 176.54 177.68 1q81 n ILE 78 N -5.09 -0.28 -0.13 2.60 2.08 -0.70 0.17 119.36 118.03 1q81 n ILE 78 Ca -0.09 1.37 -0.11 0.00 0.56 0.00 0.00 62.75 64.48 1q81 n ILE 78 Cb 0.17 -1.85 -0.02 0.00 -0.75 0.00 0.00 39.64 37.18 1q81 n ILE 78 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1q81 h PHE 79 N 0.00 0.73 -0.60 1.39 -0.00 -1.47 -0.96 116.94 116.03 1q81 h PHE 79 Ca 0.25 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.97 57.98 1q81 h PHE 79 Cb 0.40 -0.19 -0.02 0.00 -0.00 0.00 0.00 35.95 36.14 1q81 h PHE 79 CO -0.48 0.78 -0.02 -0.22 -0.00 0.00 0.00 178.31 178.36 1q81 h LYS 80 N 0.48 1.06 -0.23 1.11 3.64 0.19 -1.20 116.57 121.61 1q81 h LYS 80 Ca 0.10 -0.35 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1q81 h LYS 80 Cb 0.50 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1q81 h LYS 80 CO 0.02 1.05 -0.30 -0.09 -2.27 0.00 0.00 179.45 177.86 1q81 h ARG 81 N 0.97 0.47 -0.95 1.90 9.65 -0.08 0.19 114.38 126.54 1q81 h ARG 81 Ca 0.17 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1q81 h ARG 81 Cb 0.58 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.10 1q81 h ARG 81 CO 0.03 0.73 0.57 1.15 2.80 0.00 0.00 179.97 185.25 1q81 h THR 82 N 0.41 1.26 -0.07 0.20 2.02 -0.68 -2.25 112.91 113.80 1q81 h THR 82 Ca 0.05 -0.58 -0.21 0.00 0.77 0.00 0.00 66.41 66.45 1q81 h THR 82 Cb 0.73 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1q81 h THR 82 CO 0.06 0.28 -0.83 0.40 0.37 0.00 0.00 175.52 175.79 1q81 h ILE 83 N 1.31 1.35 -0.73 3.11 2.04 -0.61 -3.19 117.51 120.79 1q81 h ILE 83 Ca 0.34 -2.19 0.04 0.00 1.00 0.00 0.00 64.86 64.04 1q81 h ILE 83 Cb -0.05 2.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1q81 h ILE 83 CO -0.06 0.67 0.45 -0.09 0.00 0.00 0.00 178.15 179.12 1q81 h ARG 84 N 0.34 0.84 0.00 2.37 2.43 -0.64 0.23 114.38 119.94 1q81 h ARG 84 Ca -0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1q81 h ARG 84 Cb 1.44 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1q81 h ARG 84 CO 0.15 0.55 0.19 0.78 -1.51 0.00 0.00 179.97 180.13 1q81 h GLY 85 N 0.86 0.00 -2.03 2.80 0.00 -1.40 0.21 103.07 103.52 1q81 h GLY 85 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1q81 h GLY 85 CO -0.13 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.44 1q81 n MET 86 N -2.29 2.43 -4.33 4.80 2.81 0.06 -4.94 117.12 115.66 1q81 n MET 86 Ca -0.01 -2.21 -0.21 0.00 -1.81 0.00 0.00 57.70 53.46 1q81 n MET 86 Cb 0.22 -1.44 -0.13 0.00 -0.71 0.00 0.00 33.22 31.16 1q81 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1q81 s LEU 87 N -1.21 2.22 -1.48 4.03 1.43 0.75 -4.91 118.68 119.50 1q81 s LEU 87 Ca 0.35 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1q81 s LEU 87 Cb 0.20 -0.67 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 1q81 s LEU 87 CO 0.27 0.03 2.74 -0.81 0.23 0.00 0.00 176.35 178.80 1q81 n PRO 88 N 1.60 3.32 0.00 1.29 -0.04 -1.26 -4.75 135.00 135.16 1q81 n PRO 88 Ca -0.19 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1q81 n PRO 88 Cb 0.54 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1q81 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1q81 n HIS 89 N 4.01 0.00 0.85 0.54 1.44 -1.26 -0.85 115.22 119.94 1q81 n HIS 89 Ca 0.70 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.51 1q81 n HIS 89 Cb 0.23 -0.19 0.04 0.00 0.12 0.00 0.00 29.99 30.19 1q81 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1q81 n LYS 90 N -1.12 1.66 -2.72 -1.40 5.02 -1.26 -3.93 118.16 114.40 1q81 n LYS 90 Ca 0.00 -1.33 -0.22 0.00 -2.02 0.00 0.00 58.31 54.74 1q81 n LYS 90 Cb 0.16 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1q81 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1q81 s LYS 91 N -1.92 2.67 0.00 1.97 1.02 -0.03 -4.96 119.74 118.49 1q81 s LYS 91 Ca 0.20 -0.70 -0.24 0.00 0.02 0.00 0.00 55.97 55.25 1q81 s LYS 91 Cb 0.16 -2.50 -0.16 0.00 -0.52 0.00 0.00 37.83 34.81 1q81 s LYS 91 CO 0.36 -0.61 1.17 0.37 -0.92 0.00 0.00 175.35 175.72 1q81 h GLN 92 N 0.14 -0.43 -0.19 1.68 4.15 -1.91 -2.51 115.11 116.04 1q81 h GLN 92 Ca -0.43 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.05 1q81 h GLN 92 Cb 1.29 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 1q81 h GLN 92 CO 0.54 -0.10 -0.55 -0.09 -1.93 0.00 0.00 178.83 176.70 1q81 h ARG 93 N -0.82 -0.53 -0.03 1.69 2.43 -1.96 -2.30 114.38 112.88 1q81 h ARG 93 Ca -0.05 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1q81 h ARG 93 Cb 0.52 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1q81 h ARG 93 CO 0.07 -0.35 -0.31 0.78 -1.51 0.00 0.00 179.97 178.66 1q81 h GLY 94 N -0.55 -0.49 0.06 2.80 0.00 -1.71 -1.15 103.07 102.04 1q81 h GLY 94 Ca 0.04 0.37 0.23 0.00 0.00 0.00 0.00 47.33 47.97 1q81 h GLY 94 CO -0.47 -0.23 0.63 -0.09 0.00 0.00 0.00 176.54 176.39 1q81 h ARG 95 N -0.44 0.47 0.21 4.80 2.43 -1.27 0.30 114.38 120.88 1q81 h ARG 95 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1q81 h ARG 95 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1q81 h ARG 95 CO -0.28 0.31 -0.10 0.93 -1.51 0.00 0.00 179.97 179.32 1q81 h GLU 96 N 0.49 -0.27 -0.28 0.20 5.08 -0.67 0.37 114.58 119.49 1q81 h GLU 96 Ca 0.55 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.91 1q81 h GLU 96 Cb 1.26 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1q81 h GLU 96 CO -0.28 -0.05 0.06 0.00 -1.00 0.00 0.00 179.01 177.74 1q81 h ALA 97 N 0.29 1.60 0.01 3.43 0.00 0.18 -1.26 119.26 123.51 1q81 h ALA 97 Ca -0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1q81 h ALA 97 Cb 0.35 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1q81 h ALA 97 CO 0.05 0.31 -1.03 0.35 0.00 0.00 0.00 179.25 178.93 1q81 h PHE 98 N 0.39 0.85 -0.03 0.00 3.57 -0.38 -3.27 116.94 118.07 1q81 h PHE 98 Ca 0.09 -0.47 -0.13 0.00 3.53 0.00 0.00 57.97 60.99 1q81 h PHE 98 Cb 0.16 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1q81 h PHE 98 CO 0.00 1.31 -0.57 0.93 -2.23 0.00 0.00 178.31 177.75 1q81 h GLU 99 N 0.31 0.09 -0.98 1.11 5.08 -0.59 -2.91 114.58 116.69 1q81 h GLU 99 Ca -0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1q81 h GLU 99 Cb 1.68 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 1q81 h GLU 99 CO 0.19 0.64 0.06 -1.13 -1.00 0.00 0.00 179.01 177.77 1q81 n SER 100 N -3.87 2.58 -4.04 1.42 3.41 -0.50 -4.74 113.62 107.87 1q81 n SER 100 Ca -0.02 -2.20 -0.17 0.00 -0.26 0.00 0.00 58.87 56.22 1q81 n SER 100 Cb 0.58 -0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1q81 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q81 s VAL 101 N -0.78 0.69 -0.11 -3.33 1.01 -1.10 -2.25 120.40 114.52 1q81 s VAL 101 Ca 0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1q81 s VAL 101 Cb 0.07 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1q81 s VAL 101 CO 0.02 0.04 0.28 -0.13 0.00 0.00 0.00 175.10 175.30 1q81 s ARG 102 N -0.62 0.27 -0.12 2.72 0.52 -0.06 -4.99 118.95 116.67 1q81 s ARG 102 Ca 0.00 0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.67 1q81 s ARG 102 Cb -0.05 -0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 1q81 s ARG 102 CO 0.00 -0.11 0.02 0.08 0.02 0.00 0.00 175.30 175.31 1q81 s VAL 103 N 0.84 4.48 0.14 3.52 1.01 -1.26 -0.03 120.40 129.10 1q81 s VAL 103 Ca -0.06 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1q81 s VAL 103 Cb -0.07 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1q81 s VAL 103 CO -0.06 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.13 1q81 s TYR 104 N -0.38 1.60 -0.46 5.22 1.51 0.13 -4.92 117.35 120.05 1q81 s TYR 104 Ca 0.08 -0.51 -0.23 0.00 -1.01 0.00 0.00 57.07 55.40 1q81 s TYR 104 Cb -0.12 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1q81 s TYR 104 CO 0.02 0.23 0.78 -0.51 -1.11 0.00 0.00 175.55 174.96 1q81 s LEU 105 N -2.54 4.29 0.00 -1.29 1.43 -1.26 -2.06 118.68 117.24 1q81 s LEU 105 Ca 0.12 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1q81 s LEU 105 Cb -0.05 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1q81 s LEU 105 CO 0.05 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1q81 n GLY 106 N 5.00 -0.26 2.65 -3.19 0.00 -1.26 -4.76 105.19 103.37 1q81 n GLY 106 Ca 0.02 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 1q81 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q81 s ASN 107 N -4.00 2.21 0.00 1.61 3.04 -1.26 0.12 114.94 116.66 1q81 s ASN 107 Ca 0.00 -0.51 0.28 0.00 0.04 0.00 0.00 52.86 52.68 1q81 s ASN 107 Cb 0.00 -0.30 1.15 0.00 -1.54 0.00 0.00 41.25 40.56 1q81 s ASN 107 CO 0.00 -0.32 1.80 -0.81 -3.04 0.00 0.00 177.10 174.73 1q81 n PRO 108 N 5.23 1.45 -2.89 0.43 -0.04 -1.26 -4.89 135.00 133.03 1q81 n PRO 108 Ca -0.07 -0.75 -0.21 0.00 -0.04 0.00 0.00 63.50 62.43 1q81 n PRO 108 Cb 0.49 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1q81 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1q81 s TYR 109 N -2.07 1.43 -0.22 0.54 1.51 -1.26 -5.05 117.35 112.23 1q81 s TYR 109 Ca 0.38 -0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 1q81 s TYR 109 Cb 0.21 -2.47 -0.12 0.00 -0.11 0.00 0.00 41.96 39.47 1q81 s TYR 109 CO 0.36 -1.36 -0.16 -0.25 -1.11 0.00 0.00 175.55 173.03 1q81 n ASP 110 N -2.45 1.90 -4.44 2.29 8.00 -1.26 -4.94 116.55 115.65 1q81 n ASP 110 Ca 0.16 0.41 -0.34 0.00 0.71 0.00 0.00 54.79 55.73 1q81 n ASP 110 Cb 0.61 -0.86 0.11 0.00 -0.02 0.00 0.00 41.12 40.97 1q81 n ASP 110 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q81 n GLU 111 N -4.40 -0.16 -3.86 -1.24 1.02 -1.26 -4.96 120.64 105.78 1q81 n GLU 111 Ca -0.34 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.45 1q81 n GLU 111 Cb 0.67 -1.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 1q81 n GLU 111 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q81 s ASP 112 N -1.93 6.09 0.91 1.62 1.11 -1.26 -5.03 116.67 118.19 1q81 s ASP 112 Ca 0.59 0.26 -0.10 0.00 0.18 0.00 0.00 52.55 53.48 1q81 s ASP 112 Cb -0.24 -2.03 0.14 0.00 1.07 0.00 0.00 42.92 41.86 1q81 s ASP 112 CO 0.65 0.25 1.13 -0.83 1.18 0.00 0.00 175.17 177.55 1q81 s GLY 113 N -0.08 1.68 0.56 0.21 0.00 -1.26 -5.00 107.32 103.43 1q81 s GLY 113 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1q81 s GLY 113 CO 0.00 0.91 0.80 -1.83 0.00 0.00 0.00 173.10 172.98 1q81 s GLU 114 N -4.68 2.53 -0.22 2.90 -1.05 -0.63 -4.50 118.70 113.05 1q81 s GLU 114 Ca 0.66 -0.70 -0.00 0.00 -0.15 0.00 0.00 54.97 54.78 1q81 s GLU 114 Cb -0.22 -2.45 0.02 0.00 -0.44 0.00 0.00 34.13 31.04 1q81 s GLU 114 CO 0.58 -0.75 -0.13 0.08 0.95 0.00 0.00 175.26 175.99 1q81 s VAL 115 N -2.81 2.49 0.55 1.83 1.01 -1.26 -0.28 120.40 121.93 1q81 s VAL 115 Ca 0.57 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1q81 s VAL 115 Cb -0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1q81 s VAL 115 CO 0.39 0.35 1.25 -0.76 0.00 0.00 0.00 175.10 176.33 1q81 s LEU 116 N 1.30 3.79 0.38 3.92 1.43 -1.26 -4.95 118.68 123.29 1q81 s LEU 116 Ca 0.02 2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 55.35 1q81 s LEU 116 Cb -0.15 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 1q81 s LEU 116 CO -0.08 -1.48 1.28 -1.81 0.23 0.00 0.00 176.35 174.50 1q81 s ASP 117 N -1.34 6.47 -1.27 2.29 1.01 -1.26 -3.45 116.67 119.12 1q81 s ASP 117 Ca 0.73 2.62 0.00 0.00 0.71 0.00 0.00 52.55 56.61 1q81 s ASP 117 Cb -0.33 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.96 1q81 s ASP 117 CO 0.38 -0.74 0.00 0.61 0.21 0.00 0.00 175.17 175.64 1q81 n GLY 118 N 0.70 0.36 0.00 0.21 0.00 -1.26 -4.86 105.19 100.34 1q81 n GLY 118 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1q81 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q81 n THR 119 N -3.53 0.00 -3.09 2.61 -2.24 -1.22 -4.97 114.28 101.83 1q81 n THR 119 Ca -0.15 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 60.84 1q81 n THR 119 Cb 0.56 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 1q81 n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q81 s SER 120 N -0.36 7.26 -0.21 3.42 0.15 -1.26 0.41 113.70 123.11 1q81 s SER 120 Ca 0.00 1.49 -0.03 0.00 0.70 0.00 0.00 55.95 58.11 1q81 s SER 120 Cb 0.00 -2.44 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 1q81 s SER 120 CO 0.00 0.23 -0.05 -0.22 1.20 0.00 0.00 173.24 174.39 1q81 s LEU 121 N -1.09 2.87 -0.46 3.45 2.96 -0.03 -4.89 118.68 121.48 1q81 s LEU 121 Ca 0.33 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 1q81 s LEU 121 Cb -0.22 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.77 1q81 s LEU 121 CO 0.23 0.00 1.32 -0.62 -1.32 0.00 0.00 176.35 175.97 1q81 s ASP 122 N 1.34 6.40 0.59 3.68 -1.08 -1.26 -4.87 116.67 121.47 1q81 s ASP 122 Ca 0.04 0.62 0.37 0.00 -0.52 0.00 0.00 52.55 53.06 1q81 s ASP 122 Cb -0.14 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.51 1q81 s ASP 122 CO -0.03 -1.42 2.13 0.03 0.52 0.00 0.00 175.17 176.40 1q81 h ARG 123 N 10.27 0.00 -0.43 4.34 3.08 -1.96 -2.89 114.38 126.78 1q81 h ARG 123 Ca -0.26 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 1q81 h ARG 123 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1q81 h ARG 123 CO 1.12 0.02 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.66 1q81 h LEU 124 N 0.00 1.01 -3.75 3.04 3.38 -2.06 -3.12 115.31 113.82 1q81 h LEU 124 Ca -0.00 -0.43 -0.43 0.00 0.09 0.00 0.00 57.88 57.10 1q81 h LEU 124 Cb 0.32 -0.28 -0.25 0.00 0.09 0.00 0.00 40.66 40.55 1q81 h LEU 124 CO 0.00 1.23 0.31 -1.54 0.09 0.00 0.00 178.44 178.53 1q81 n SER 125 N -4.09 4.13 -3.66 -0.43 3.41 -1.10 -4.94 113.62 106.93 1q81 n SER 125 Ca -0.01 -3.72 -0.08 0.00 -0.26 0.00 0.00 58.87 54.80 1q81 n SER 125 Cb 0.51 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 1q81 n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1q81 s ASN 126 N -2.04 -0.75 0.00 4.04 0.01 -1.13 -5.00 114.94 110.06 1q81 s ASN 126 Ca 0.54 1.26 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 1q81 s ASN 126 Cb 0.45 1.29 0.00 0.00 0.41 0.00 0.00 41.25 43.40 1q81 s ASN 126 CO 0.04 -0.22 0.00 0.00 -1.51 0.00 0.00 177.10 175.41 1q81 n ILE 127 N 4.55 0.00 -3.16 0.60 3.06 -1.26 -4.68 119.36 118.47 1q81 n ILE 127 Ca -0.19 0.00 -0.46 0.00 -2.50 0.00 0.00 62.75 59.61 1q81 n ILE 127 Cb 0.55 0.13 -0.02 0.00 0.54 0.00 0.00 39.64 40.84 1q81 n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1q81 s LYS 128 N -1.53 3.65 0.18 9.51 1.02 -1.26 -4.94 119.74 126.36 1q81 s LYS 128 Ca 0.00 -2.23 -0.24 0.00 0.02 0.00 0.00 55.97 53.52 1q81 s LYS 128 Cb 0.00 -4.65 0.05 0.00 -0.52 0.00 0.00 37.83 32.71 1q81 s LYS 128 CO 0.00 -1.49 0.86 -0.59 -0.92 0.00 0.00 175.35 173.21 1q81 s PHE 129 N 1.13 -0.19 0.04 3.18 -0.12 -1.20 -2.34 117.98 118.48 1q81 s PHE 129 Ca 0.25 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.99 1q81 s PHE 129 Cb -0.08 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1q81 s PHE 129 CO -0.09 -0.93 -0.04 0.08 -0.05 0.00 0.00 175.22 174.19 1q81 s VAL 130 N -3.48 0.23 -0.04 -2.49 1.01 -0.37 -4.80 120.40 110.46 1q81 s VAL 130 Ca 0.11 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 1q81 s VAL 130 Cb -0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1q81 s VAL 130 CO 0.02 -0.65 0.37 -0.89 0.00 0.00 0.00 175.10 173.96 1q81 s THR 131 N -2.26 5.12 0.31 3.92 2.01 -1.26 -1.48 115.64 121.99 1q81 s THR 131 Ca -0.07 0.76 0.05 0.00 0.31 0.00 0.00 61.69 62.73 1q81 s THR 131 Cb -0.04 -3.68 0.30 0.00 0.01 0.00 0.00 72.50 69.09 1q81 s THR 131 CO -0.04 0.54 1.82 -0.07 -0.69 0.00 0.00 174.62 176.19 1q81 h LEU 132 N 5.10 0.82 -0.42 4.42 3.38 -1.22 0.17 115.31 127.56 1q81 h LEU 132 Ca -0.50 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1q81 h LEU 132 Cb 1.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1q81 h LEU 132 CO 0.64 0.38 0.26 1.23 0.09 0.00 0.00 178.44 181.04 1q81 h GLY 133 N 0.85 0.60 0.61 0.83 0.00 -1.73 -1.10 103.07 103.12 1q81 h GLY 133 Ca 0.52 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1q81 h GLY 133 CO -0.29 0.23 0.26 0.83 0.00 0.00 0.00 176.54 177.57 1q81 h GLU 134 N 0.55 0.47 -0.51 4.80 5.08 -0.99 -0.74 114.58 123.25 1q81 h GLU 134 Ca 0.15 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1q81 h GLU 134 Cb -0.02 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1q81 h GLU 134 CO -0.03 0.31 0.27 0.82 -1.00 0.00 0.00 179.01 179.38 1q81 h ILE 135 N 0.49 0.97 -0.63 3.13 2.04 -0.67 -2.55 117.51 120.29 1q81 h ILE 135 Ca 0.26 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1q81 h ILE 135 Cb 0.22 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1q81 h ILE 135 CO -0.21 0.10 0.16 0.28 0.00 0.00 0.00 178.15 178.47 1q81 h SER 136 N 0.52 0.93 -0.37 1.72 0.02 -0.34 -1.08 113.55 114.95 1q81 h SER 136 Ca 0.22 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1q81 h SER 136 Cb 0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1q81 h SER 136 CO -0.14 0.90 0.08 -0.33 -1.14 0.00 0.00 176.83 176.19 1q81 h GLU 137 N 0.95 0.68 -0.12 3.45 5.08 -0.79 -0.94 114.58 122.88 1q81 h GLU 137 Ca 0.20 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1q81 h GLU 137 Cb 0.33 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1q81 h GLU 137 CO -0.00 0.64 -0.10 1.15 -1.00 0.00 0.00 179.01 179.70 1q81 h THR 138 N 0.66 1.34 0.00 1.13 2.02 -1.05 -2.82 112.91 114.19 1q81 h THR 138 Ca 0.14 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1q81 h THR 138 Cb 0.29 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1q81 h THR 138 CO 0.00 0.35 0.13 -0.07 0.37 0.00 0.00 175.52 176.30 1q81 h LEU 139 N -0.10 0.00 0.00 2.58 3.38 -0.79 -3.45 115.31 116.93 1q81 h LEU 139 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q81 h LEU 139 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1q81 h LEU 139 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1q81 n GLY 140 N -1.14 0.88 3.21 0.83 0.00 -0.77 -5.08 105.19 103.13 1q81 n GLY 140 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1q81 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 n ALA 141 N -1.22 -3.28 -3.17 4.61 0.00 -0.43 -4.95 120.51 112.07 1q81 n ALA 141 Ca 0.00 -1.41 -0.41 0.00 0.00 0.00 0.00 53.44 51.62 1q81 n ALA 141 Cb 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 1q81 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q81 s ASN 142 N -2.35 5.69 -0.76 0.00 3.84 -1.26 -4.81 114.94 115.29 1q81 s ASN 142 Ca 0.56 -1.40 -0.20 0.00 0.21 0.00 0.00 52.86 52.03 1q81 s ASN 142 Cb -0.13 -2.01 -0.18 0.00 -0.55 0.00 0.00 41.25 38.39 1q81 s ASN 142 CO 0.54 -0.52 1.79 1.17 -2.79 0.00 0.00 177.10 177.29 1q81 n LYS 143 N 4.95 0.06 -0.60 0.43 4.81 -1.26 -4.63 118.16 121.93 1q81 n LYS 143 Ca -0.11 -1.22 -0.12 0.00 -0.87 0.00 0.00 58.31 56.00 1q81 n LYS 143 Cb 0.43 -3.10 0.08 0.00 0.02 0.00 0.00 35.03 32.46 1q81 n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1q81 n THR 144 N 7.79 2.10 -1.32 3.15 5.66 -1.26 -5.22 114.28 125.17 1q81 n THR 144 Ca 0.30 -0.96 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1q81 n THR 144 Cb 0.48 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 1q81 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35