#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n GLU 5 N 0.00 -5.03 -3.53 0.00 1.02 -1.26 -5.03 120.64 106.81 1q86 n GLU 5 Ca 0.00 3.62 -0.25 0.00 -0.02 0.00 0.00 57.16 60.51 1q86 n GLU 5 Cb 0.00 -4.44 -0.15 0.00 -0.02 0.00 0.00 31.44 26.83 1q86 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1q86 s PHE 6 N -0.55 0.10 -0.42 -0.32 5.36 -1.26 -5.05 117.98 115.84 1q86 s PHE 6 Ca 0.00 -0.50 -0.28 0.00 -0.96 0.00 0.00 56.93 55.19 1q86 s PHE 6 Cb 0.00 -0.72 -0.29 0.00 -0.34 0.00 0.00 43.02 41.67 1q86 s PHE 6 CO 0.00 -0.73 1.77 -0.25 -1.46 0.00 0.00 175.22 174.55 1q86 n ASP 7 N 5.27 1.55 -4.69 6.13 8.00 -1.26 -4.88 116.55 126.68 1q86 n ASP 7 Ca -0.06 -2.56 -0.42 0.00 0.71 0.00 0.00 54.79 52.46 1q86 n ASP 7 Cb 0.45 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 1q86 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q86 s ALA 8 N 8.26 3.55 -0.02 2.24 0.00 -1.26 -4.81 121.76 129.71 1q86 s ALA 8 Ca 0.68 0.77 0.30 0.00 0.00 0.00 0.00 51.96 53.71 1q86 s ALA 8 Cb 0.11 -3.56 1.05 0.00 0.00 0.00 0.00 23.12 20.71 1q86 s ALA 8 CO 0.26 -0.85 1.87 -0.44 0.00 0.00 0.00 175.76 176.59 1q86 h ASP 9 N 7.68 0.00 -3.78 0.00 3.32 -0.15 -3.43 116.42 120.06 1q86 h ASP 9 Ca -0.36 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.51 1q86 h ASP 9 Cb 1.17 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.46 1q86 h ASP 9 CO 0.89 0.04 -0.47 -0.69 -1.72 0.00 0.00 179.24 177.30 1q86 s VAL 10 N -3.55 -0.00 -0.21 -1.35 1.01 -0.96 -4.96 120.40 110.38 1q86 s VAL 10 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1q86 s VAL 10 Cb 0.08 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 36.19 1q86 s VAL 10 CO 0.59 0.00 -0.16 -0.63 0.00 0.00 0.00 175.10 174.90 1q86 s ILE 11 N 0.19 2.10 -0.09 2.22 1.01 -1.26 -2.30 121.20 123.07 1q86 s ILE 11 Ca -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 60.65 59.38 1q86 s ILE 11 Cb -0.02 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1q86 s ILE 11 CO -0.00 0.31 0.06 -0.69 0.00 0.00 0.00 174.94 174.61 1q86 s VAL 12 N 1.21 4.80 -0.33 2.92 1.01 -0.18 0.23 120.40 130.06 1q86 s VAL 12 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1q86 s VAL 12 Cb -0.16 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1q86 s VAL 12 CO -0.10 0.59 0.19 -0.62 0.00 0.00 0.00 175.10 175.15 1q86 s ASP 13 N -1.02 5.71 0.36 3.32 -1.08 0.77 -0.61 116.67 124.11 1q86 s ASP 13 Ca 0.15 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 51.81 1q86 s ASP 13 Cb -0.12 -2.04 0.51 0.00 -1.46 0.00 0.00 42.92 39.81 1q86 s ASP 13 CO 0.04 -0.25 1.67 0.00 0.52 0.00 0.00 175.17 177.15 1q86 h ALA 14 N 8.41 1.00 -1.29 3.66 0.00 -1.45 -3.44 119.26 126.15 1q86 h ALA 14 Ca -0.31 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 53.81 1q86 h ALA 14 Cb 1.14 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1q86 h ALA 14 CO 0.63 0.00 0.68 -2.13 0.00 0.00 0.00 179.25 178.43 1q86 n ARG 15 N -2.81 0.59 -3.38 0.00 0.63 -1.25 -0.33 116.66 110.11 1q86 n ARG 15 Ca 0.05 0.21 -0.24 0.00 -0.92 0.00 0.00 57.85 56.95 1q86 n ARG 15 Cb 0.49 -1.80 0.03 0.00 0.45 0.00 0.00 32.46 31.63 1q86 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1q86 n ASP 16 N 4.10 -5.44 -4.28 6.15 9.92 -0.11 -4.93 116.55 121.96 1q86 n ASP 16 Ca 0.27 -0.45 -0.25 0.00 -0.53 0.00 0.00 54.79 53.82 1q86 n ASP 16 Cb 0.06 -4.37 -0.13 0.00 -0.64 0.00 0.00 41.12 36.03 1q86 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q86 s ILE 18 N -0.99 3.43 0.18 0.00 1.01 0.95 -0.98 121.20 124.81 1q86 s ILE 18 Ca 0.08 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 1q86 s ILE 18 Cb -0.09 -4.14 0.27 0.00 0.01 0.00 0.00 42.46 38.50 1q86 s ILE 18 CO 0.03 -1.10 1.04 0.80 0.00 0.00 0.00 174.94 175.71 1q86 n MET 19 N 9.20 -0.09 0.25 2.79 0.00 -0.58 -0.73 117.12 127.96 1q86 n MET 19 Ca 0.19 1.04 -0.17 0.00 -0.00 0.00 0.00 57.70 58.76 1q86 n MET 19 Cb 0.51 -1.55 -0.09 0.00 0.00 0.00 0.00 33.22 32.09 1q86 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1q86 h GLY 20 N 0.00 -1.09 1.32 -5.12 0.00 -1.89 0.86 103.07 97.15 1q86 h GLY 20 Ca 0.30 0.54 0.05 0.00 0.00 0.00 0.00 47.33 48.21 1q86 h GLY 20 CO -0.68 -0.34 0.34 3.21 0.00 0.00 0.00 176.54 179.07 1q86 h ARG 21 N -0.89 0.49 0.19 4.80 3.08 -1.32 0.70 114.38 121.43 1q86 h ARG 21 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1q86 h ARG 21 Cb 0.80 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1q86 h ARG 21 CO -0.10 0.32 -0.09 0.28 -1.07 0.00 0.00 179.97 179.32 1q86 h VAL 22 N 0.50 0.91 -0.94 2.04 2.07 -0.90 -2.90 116.25 117.03 1q86 h VAL 22 Ca 0.22 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1q86 h VAL 22 Cb 0.22 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1q86 h VAL 22 CO -0.06 0.18 0.59 0.00 0.02 0.00 0.00 177.57 178.30 1q86 h ALA 23 N -0.02 1.36 -0.52 1.67 0.00 -0.34 0.14 119.26 121.54 1q86 h ALA 23 Ca -0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1q86 h ALA 23 Cb 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1q86 h ALA 23 CO 0.04 0.27 0.23 1.03 0.00 0.00 0.00 179.25 180.82 1q86 h SER 24 N 1.00 0.30 0.08 0.00 0.87 -0.87 -0.21 113.55 114.73 1q86 h SER 24 Ca 0.44 0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.83 1q86 h SER 24 Cb 0.32 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1q86 h SER 24 CO -0.22 0.20 -0.80 1.56 -0.53 0.00 0.00 176.83 177.04 1q86 h GLN 25 N 0.45 0.59 0.00 2.24 4.20 -1.06 -2.55 115.11 118.97 1q86 h GLN 25 Ca 0.24 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1q86 h GLN 25 Cb 0.21 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1q86 h GLN 25 CO -0.21 1.13 -0.19 0.28 -0.67 0.00 0.00 178.83 179.17 1q86 h VAL 26 N 0.39 0.73 0.22 -0.54 2.07 -0.44 -1.15 116.25 117.53 1q86 h VAL 26 Ca -0.05 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1q86 h VAL 26 Cb 1.41 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1q86 h VAL 26 CO 0.15 0.19 -0.11 0.00 0.02 0.00 0.00 177.57 177.82 1q86 h ALA 27 N 1.81 -0.29 -0.91 1.67 0.00 -0.92 -2.09 119.26 118.52 1q86 h ALA 27 Ca -0.00 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.89 1q86 h ALA 27 Cb 0.47 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 1q86 h ALA 27 CO 0.02 -0.35 0.48 1.49 0.00 0.00 0.00 179.25 180.89 1q86 h GLU 28 N -0.92 0.58 -0.17 0.00 4.57 -1.27 -0.97 114.58 116.40 1q86 h GLU 28 Ca -0.03 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 1q86 h GLU 28 Cb 0.49 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1q86 h GLU 28 CO 0.05 0.38 -0.62 1.96 -1.18 0.00 0.00 179.01 179.60 1q86 h GLN 29 N 0.60 0.72 -0.31 1.92 4.20 -1.26 -2.95 115.11 118.03 1q86 h GLN 29 Ca 0.53 -0.55 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1q86 h GLN 29 Cb 0.86 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1q86 h GLN 29 CO -0.42 1.17 0.05 0.00 -0.67 0.00 0.00 178.83 178.96 1q86 h ALA 30 N 0.56 1.50 0.00 3.87 0.00 -0.67 0.19 119.26 124.70 1q86 h ALA 30 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1q86 h ALA 30 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1q86 h ALA 30 CO 0.13 0.37 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1q86 n LEU 31 N -4.34 0.00 -1.09 0.00 4.77 -0.43 -1.86 117.00 114.05 1q86 n LEU 31 Ca 0.01 0.27 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1q86 n LEU 31 Cb 0.19 -0.27 0.26 0.00 -2.33 0.00 0.00 43.42 41.27 1q86 n LEU 31 CO 0.38 -0.04 0.72 0.47 -1.33 0.00 0.00 177.39 177.59 1q86 n ASP 32 N -1.27 3.59 0.00 -1.43 8.00 0.58 -4.95 116.55 121.08 1q86 n ASP 32 Ca 0.13 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1q86 n ASP 32 Cb 0.20 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1q86 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q86 n GLY 33 N 1.20 0.70 3.79 0.44 0.00 -0.78 -5.06 105.19 105.50 1q86 n GLY 33 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1q86 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q86 s GLU 34 N -0.72 3.55 -0.40 1.61 0.41 -0.75 -4.98 118.70 117.42 1q86 s GLU 34 Ca 0.00 1.38 -0.07 0.00 -0.41 0.00 0.00 54.97 55.87 1q86 s GLU 34 Cb 0.00 -2.05 0.08 0.00 -1.78 0.00 0.00 34.13 30.38 1q86 s GLU 34 CO 0.00 -0.64 0.22 0.99 -0.49 0.00 0.00 175.26 175.33 1q86 s THR 35 N -2.06 3.87 0.15 3.63 2.01 -1.26 -4.32 115.64 117.65 1q86 s THR 35 Ca 0.68 -1.55 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1q86 s THR 35 Cb -0.18 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1q86 s THR 35 CO 0.26 -0.50 0.20 -0.69 -0.69 0.00 0.00 174.62 173.20 1q86 s VAL 36 N 1.34 4.90 -0.03 3.82 1.01 -0.98 0.63 120.40 131.08 1q86 s VAL 36 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1q86 s VAL 36 Cb -0.23 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1q86 s VAL 36 CO 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 175.10 175.07 1q86 s ALA 37 N -1.71 0.18 -0.20 5.51 0.00 -0.97 -2.04 121.76 122.53 1q86 s ALA 37 Ca 0.33 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 1q86 s ALA 37 Cb -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1q86 s ALA 37 CO 0.26 -0.29 0.13 0.08 0.00 0.00 0.00 175.76 175.94 1q86 s VAL 38 N 1.60 5.40 0.05 0.00 1.01 0.06 -1.02 120.40 127.50 1q86 s VAL 38 Ca -0.02 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1q86 s VAL 38 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1q86 s VAL 38 CO -0.03 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 1q86 s VAL 39 N 0.35 3.26 -1.13 2.92 1.01 0.22 -0.09 120.40 126.93 1q86 s VAL 39 Ca 0.08 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1q86 s VAL 39 Cb -0.11 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1q86 s VAL 39 CO -0.02 0.27 0.97 0.59 0.00 0.00 0.00 175.10 176.92 1q86 n ASN 40 N 1.24 -4.60 -0.35 3.32 3.02 0.12 -1.30 115.26 116.72 1q86 n ASN 40 Ca -0.15 -0.49 0.10 0.00 -0.03 0.00 0.00 54.58 54.01 1q86 n ASN 40 Cb 0.52 -4.44 0.28 0.00 -0.61 0.00 0.00 39.78 35.53 1q86 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q86 h ALA 41 N 0.85 1.56 -0.07 5.41 0.00 -1.68 0.42 119.26 125.75 1q86 h ALA 41 Ca -0.50 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1q86 h ALA 41 Cb 1.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1q86 h ALA 41 CO 0.47 0.05 0.13 1.05 0.00 0.00 0.00 179.25 180.94 1q86 h GLU 42 N 0.83 0.00 -0.48 0.00 9.09 -1.84 -0.87 114.58 121.31 1q86 h GLU 42 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 1q86 h GLU 42 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1q86 h GLU 42 CO -0.34 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.26 1q86 n ARG 43 N -3.44 4.03 -2.29 1.06 1.74 0.15 -1.72 116.66 116.18 1q86 n ARG 43 Ca -0.01 -2.98 -0.29 0.00 -0.77 0.00 0.00 57.85 53.80 1q86 n ARG 43 Cb 0.22 -2.04 0.01 0.00 -1.02 0.00 0.00 32.46 29.63 1q86 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 s ALA 44 N -2.56 3.25 0.11 7.54 0.00 -0.33 -0.94 121.76 128.84 1q86 s ALA 44 Ca 0.49 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1q86 s ALA 44 Cb 0.37 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1q86 s ALA 44 CO 0.15 -0.57 -0.10 0.54 0.00 0.00 0.00 175.76 175.79 1q86 s VAL 45 N -2.96 0.99 -0.03 0.00 0.11 -0.15 -1.66 120.40 116.69 1q86 s VAL 45 Ca 0.51 -1.80 0.01 0.00 -2.93 0.00 0.00 61.98 57.77 1q86 s VAL 45 Cb -0.11 -1.54 0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1q86 s VAL 45 CO 0.49 -0.65 -0.03 0.27 -3.33 0.00 0.00 175.10 171.85 1q86 s ILE 46 N -2.84 0.37 0.97 7.04 -4.36 -0.53 -1.53 121.20 120.32 1q86 s ILE 46 Ca 0.10 -0.06 -0.13 0.00 -0.26 0.00 0.00 60.65 60.30 1q86 s ILE 46 Cb -0.00 -0.41 0.17 0.00 1.25 0.00 0.00 42.46 43.46 1q86 s ILE 46 CO -0.00 0.18 1.13 -0.89 0.24 0.00 0.00 174.94 175.60 1q86 s THR 47 N 0.80 1.96 0.00 8.37 2.01 -1.26 -0.49 115.64 127.03 1q86 s THR 47 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1q86 s THR 47 Cb -0.12 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1q86 s THR 47 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1q86 n GLY 48 N -1.88 -0.64 3.48 4.40 0.00 -0.49 -4.79 105.19 105.26 1q86 n GLY 48 Ca 0.07 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 1q86 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q86 s ARG 49 N -0.43 3.22 0.13 1.61 3.52 -1.26 -3.05 118.95 122.68 1q86 s ARG 49 Ca 0.00 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 54.87 1q86 s ARG 49 Cb 0.00 -4.10 0.11 0.00 -1.56 0.00 0.00 34.95 29.40 1q86 s ARG 49 CO 0.00 -1.44 0.93 -1.91 -0.81 0.00 0.00 175.30 172.07 1q86 n GLU 50 N 6.99 -0.16 -0.27 5.12 2.13 -1.26 -0.40 120.64 132.79 1q86 n GLU 50 Ca -0.02 0.92 0.05 0.00 0.66 0.00 0.00 57.16 58.77 1q86 n GLU 50 Cb 0.46 -1.37 0.15 0.00 0.27 0.00 0.00 31.44 30.96 1q86 n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1q86 h GLU 51 N 0.00 0.06 0.40 5.31 3.07 -2.00 -0.79 114.58 120.63 1q86 h GLU 51 Ca 0.19 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1q86 h GLU 51 Cb 0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1q86 h GLU 51 CO -0.59 0.04 -0.19 -0.56 -1.40 0.00 0.00 179.01 176.31 1q86 h GLN 52 N 0.06 -0.51 -0.85 2.33 -0.00 -1.14 -2.70 115.11 112.29 1q86 h GLN 52 Ca 0.42 0.04 0.08 0.00 -0.00 0.00 0.00 58.65 59.19 1q86 h GLN 52 Cb 0.73 0.12 -0.10 0.00 -0.00 0.00 0.00 27.48 28.22 1q86 h GLN 52 CO -0.74 -0.24 -0.49 -0.89 -0.00 0.00 0.00 178.83 176.47 1q86 n ILE 53 N -5.14 -0.57 -0.18 1.86 5.41 -0.92 0.59 119.36 120.42 1q86 n ILE 53 Ca -0.08 2.06 -0.01 0.00 1.00 0.00 0.00 62.75 65.72 1q86 n ILE 53 Cb 0.26 -2.56 0.08 0.00 -0.71 0.00 0.00 39.64 36.72 1q86 n ILE 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1q86 h VAL 54 N 0.00 0.66 -1.00 1.39 2.07 -1.24 -0.41 116.25 117.72 1q86 h VAL 54 Ca 0.15 -0.08 0.20 0.00 0.82 0.00 0.00 66.70 67.79 1q86 h VAL 54 Cb 0.36 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1q86 h VAL 54 CO -0.81 0.04 0.61 -0.33 0.02 0.00 0.00 177.57 177.11 1q86 h GLU 55 N 0.22 0.68 0.62 1.57 5.08 0.50 0.48 114.58 123.73 1q86 h GLU 55 Ca 0.28 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1q86 h GLU 55 Cb 0.40 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1q86 h GLU 55 CO -0.38 0.45 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.56 1q86 h LYS 56 N 0.70 -0.81 -0.35 2.33 3.64 -0.23 -0.75 116.57 121.10 1q86 h LYS 56 Ca 0.58 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 60.00 1q86 h LYS 56 Cb 1.00 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1q86 h LYS 56 CO -0.38 -0.50 0.14 1.88 -2.27 0.00 0.00 179.45 178.32 1q86 h TYR 57 N -0.99 0.49 -0.42 1.91 -1.99 -0.99 -1.52 116.97 113.46 1q86 h TYR 57 Ca -0.09 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.51 1q86 h TYR 57 Cb 0.69 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 1q86 h TYR 57 CO -0.01 0.39 -0.23 0.93 -0.00 0.00 0.00 178.16 179.25 1q86 h GLU 58 N 0.50 0.85 -0.28 4.88 5.08 0.02 -2.30 114.58 123.33 1q86 h GLU 58 Ca 0.12 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1q86 h GLU 58 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1q86 h GLU 58 CO -0.01 0.99 0.18 -0.22 -1.00 0.00 0.00 179.01 178.95 1q86 h LYS 59 N 0.74 0.38 -0.62 2.33 1.63 -0.31 -2.34 116.57 118.37 1q86 h LYS 59 Ca 0.10 -0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.00 1q86 h LYS 59 Cb 0.76 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 1q86 h LYS 59 CO 0.06 0.27 0.43 0.00 -3.45 0.00 0.00 179.45 176.76 1q86 h ARG 60 N 0.37 0.28 -0.12 1.90 3.08 -0.95 0.25 114.38 119.19 1q86 h ARG 60 Ca 0.10 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1q86 h ARG 60 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1q86 h ARG 60 CO -0.02 0.19 -0.24 0.28 -1.07 0.00 0.00 179.97 179.11 1q86 h VAL 61 N 0.29 1.38 -0.26 2.04 2.07 -0.92 -3.27 116.25 117.58 1q86 h VAL 61 Ca 0.30 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 1q86 h VAL 61 Cb 0.77 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1q86 h VAL 61 CO -0.07 0.44 -0.17 0.44 0.02 0.00 0.00 177.57 178.24 1q86 h ASP 62 N -0.05 0.45 -3.17 0.57 3.32 -0.67 -3.44 116.42 113.41 1q86 h ASP 62 Ca 0.00 -0.12 -0.57 0.00 0.02 0.00 0.00 57.03 56.36 1q86 h ASP 62 Cb 0.83 -0.12 0.10 0.00 0.22 0.00 0.00 39.33 40.36 1q86 h ASP 62 CO 0.05 0.64 0.56 -0.38 -1.72 0.00 0.00 179.24 178.38 1q86 n ILE 63 N -4.18 1.70 -2.78 0.35 5.41 -0.07 -4.90 119.36 114.89 1q86 n ILE 63 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1q86 n ILE 63 Cb 0.34 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 1q86 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q86 n GLY 64 N 1.17 -1.85 0.00 7.39 0.00 -1.26 -4.56 105.19 106.07 1q86 n GLY 64 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1q86 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q86 n ASN 65 N 2.95 0.00 -0.26 1.61 0.23 -1.26 -4.91 115.26 113.61 1q86 n ASN 65 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.98 1q86 n ASN 65 Cb 0.00 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.75 1q86 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1q86 h ASP 66 N 0.00 1.04 -0.70 0.53 3.32 -2.05 -2.13 116.42 116.44 1q86 h ASP 66 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1q86 h ASP 66 Cb 0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1q86 h ASP 66 CO 0.00 0.96 0.38 -1.13 -1.72 0.00 0.00 179.24 177.74 1q86 h ASN 67 N 1.06 0.87 -4.78 6.45 -0.73 -2.05 -3.48 115.58 112.92 1q86 h ASN 67 Ca 0.24 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1q86 h ASN 67 Cb 0.28 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1q86 h ASN 67 CO -0.01 0.72 0.00 0.61 -0.37 0.00 0.00 177.43 178.38 1q86 n GLY 68 N -1.08 1.12 2.39 1.57 0.00 -0.80 -4.99 105.19 103.41 1q86 n GLY 68 Ca 0.06 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 1q86 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q86 n TYR 69 N 1.22 -1.33 -1.93 1.61 9.36 -1.26 -4.81 117.16 120.02 1q86 n TYR 69 Ca 0.00 -3.00 -0.42 0.00 3.32 0.00 0.00 57.90 57.80 1q86 n TYR 69 Cb 0.00 0.31 -0.03 0.00 -0.63 0.00 0.00 39.34 38.99 1q86 n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1q86 s PHE 70 N -0.27 1.66 -0.14 2.98 5.36 -1.26 -4.81 117.98 121.49 1q86 s PHE 70 Ca 0.33 0.71 -0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1q86 s PHE 70 Cb 0.11 -4.06 -0.01 0.00 -0.34 0.00 0.00 43.02 38.72 1q86 s PHE 70 CO -0.15 -2.92 -0.13 -0.47 -1.46 0.00 0.00 175.22 170.08 1q86 s TYR 71 N 7.81 2.80 0.48 10.12 5.04 -1.26 -5.10 117.35 137.24 1q86 s TYR 71 Ca 0.81 -0.82 -0.24 0.00 -2.44 0.00 0.00 57.07 54.38 1q86 s TYR 71 Cb -0.21 -1.88 -0.07 0.00 0.35 0.00 0.00 41.96 40.15 1q86 s TYR 71 CO 0.31 -0.34 1.36 -1.25 -1.34 0.00 0.00 175.55 174.29 1q86 s PRO 72 N 0.60 3.55 -0.10 4.97 0.04 -1.26 -4.90 135.00 137.90 1q86 s PRO 72 Ca -0.08 2.25 0.07 0.00 0.04 0.00 0.00 61.00 63.28 1q86 s PRO 72 Cb -0.16 -2.51 -0.11 0.00 0.04 0.00 0.00 34.50 31.76 1q86 s PRO 72 CO 0.03 -0.87 -0.00 1.63 0.04 0.00 0.00 177.00 177.83 1q86 n LYS 73 N -0.46 1.93 -2.21 4.56 5.02 -1.26 -4.53 118.16 121.21 1q86 n LYS 73 Ca 0.07 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1q86 n LYS 73 Cb 0.44 -1.24 -0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1q86 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q86 s ARG 74 N -2.23 3.62 0.16 1.97 1.81 -1.26 -4.22 118.95 118.80 1q86 s ARG 74 Ca -0.08 1.79 0.15 0.00 -1.72 0.00 0.00 55.73 55.87 1q86 s ARG 74 Cb 0.03 -2.32 0.70 0.00 -0.45 0.00 0.00 34.95 32.91 1q86 s ARG 74 CO 0.36 -0.67 1.45 -0.35 -0.68 0.00 0.00 175.30 175.42 1q86 n PRO 75 N -0.69 0.09 0.00 3.54 -0.04 -1.26 -2.01 135.00 134.62 1q86 n PRO 75 Ca 0.08 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1q86 n PRO 75 Cb 0.48 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1q86 n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1q86 n ASP 76 N -1.90 0.00 0.13 3.54 -0.08 -1.26 -2.89 116.55 114.09 1q86 n ASP 76 Ca 0.01 0.87 -0.14 0.00 -1.51 0.00 0.00 54.79 54.02 1q86 n ASP 76 Cb 0.10 -0.39 -0.08 0.00 2.34 0.00 0.00 41.12 43.09 1q86 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1q86 h GLY 77 N 0.00 -0.26 -0.72 0.27 0.00 -1.89 -2.88 103.07 97.59 1q86 h GLY 77 Ca 0.00 0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.53 1q86 h GLY 77 CO 0.00 -0.10 -0.32 1.39 0.00 0.00 0.00 176.54 177.52 1q86 n ILE 78 N -5.19 -0.41 -0.19 2.60 2.08 -0.85 0.18 119.36 117.58 1q86 n ILE 78 Ca -0.09 1.71 -0.05 0.00 0.56 0.00 0.00 62.75 64.87 1q86 n ILE 78 Cb 0.13 -2.22 0.11 0.00 -0.75 0.00 0.00 39.64 36.92 1q86 n ILE 78 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1q86 h PHE 79 N 0.00 1.03 -0.19 1.39 -0.00 -1.46 -1.25 116.94 116.46 1q86 h PHE 79 Ca 0.22 -0.12 -0.18 0.00 -0.00 0.00 0.00 57.97 57.89 1q86 h PHE 79 Cb 0.40 -0.29 -0.00 0.00 -0.00 0.00 0.00 35.95 36.06 1q86 h PHE 79 CO -0.66 0.86 -0.61 -0.22 -0.00 0.00 0.00 178.31 177.68 1q86 h LYS 80 N 0.93 0.65 -0.30 1.11 3.64 0.21 -2.38 116.57 120.43 1q86 h LYS 80 Ca 0.19 -0.45 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1q86 h LYS 80 Cb 0.37 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1q86 h LYS 80 CO 0.01 1.07 -0.10 -0.09 -2.27 0.00 0.00 179.45 178.07 1q86 h ARG 81 N 0.49 0.50 -0.60 1.90 9.65 0.56 -0.68 114.38 126.19 1q86 h ARG 81 Ca -0.01 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 1q86 h ARG 81 Cb 1.19 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 1q86 h ARG 81 CO 0.12 0.60 0.26 1.15 2.80 0.00 0.00 179.97 184.90 1q86 h THR 82 N 0.46 1.21 -0.07 0.20 2.02 -0.94 -1.80 112.91 113.99 1q86 h THR 82 Ca 0.09 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 1q86 h THR 82 Cb 0.45 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1q86 h THR 82 CO 0.02 0.25 -0.19 0.40 0.37 0.00 0.00 175.52 176.38 1q86 h ILE 83 N 0.86 1.43 -0.85 3.11 2.04 -0.84 -2.97 117.51 120.28 1q86 h ILE 83 Ca 0.21 -1.56 0.24 0.00 1.00 0.00 0.00 64.86 64.74 1q86 h ILE 83 Cb 0.14 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1q86 h ILE 83 CO -0.02 0.44 0.60 -0.09 0.00 0.00 0.00 178.15 179.08 1q86 h ARG 84 N -0.26 0.07 0.00 2.37 2.43 -0.87 0.66 114.38 118.78 1q86 h ARG 84 Ca -0.01 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1q86 h ARG 84 Cb 0.81 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1q86 h ARG 84 CO 0.04 0.05 -0.08 0.78 -1.51 0.00 0.00 179.97 179.25 1q86 h GLY 85 N 0.07 0.00 -3.02 2.80 0.00 -1.17 -2.45 103.07 99.31 1q86 h GLY 85 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1q86 h GLY 85 CO -0.04 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.53 1q86 n MET 86 N -3.28 3.51 -4.14 4.80 2.81 0.23 -4.94 117.12 116.11 1q86 n MET 86 Ca -0.00 -2.83 -0.15 0.00 -1.81 0.00 0.00 57.70 52.90 1q86 n MET 86 Cb 0.29 -1.83 -0.11 0.00 -0.71 0.00 0.00 33.22 30.86 1q86 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1q86 s LEU 87 N -1.63 2.33 -1.48 4.03 1.43 -0.92 -4.88 118.68 117.55 1q86 s LEU 87 Ca 0.51 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1q86 s LEU 87 Cb 0.31 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.23 1q86 s LEU 87 CO 0.27 -0.19 2.51 -0.81 0.23 0.00 0.00 176.35 178.36 1q86 n PRO 88 N 1.02 3.65 0.00 1.29 -0.04 -1.26 -4.73 135.00 134.93 1q86 n PRO 88 Ca -0.19 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.53 1q86 n PRO 88 Cb 0.56 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1q86 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1q86 n HIS 89 N 3.91 0.00 0.50 0.54 1.44 -1.26 -0.74 115.22 119.62 1q86 n HIS 89 Ca 0.63 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.40 1q86 n HIS 89 Cb 0.29 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.39 1q86 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1q86 n LYS 90 N -0.92 2.35 -3.54 -1.40 5.02 -1.26 -4.06 118.16 114.34 1q86 n LYS 90 Ca 0.00 -0.49 -0.29 0.00 -2.02 0.00 0.00 58.31 55.51 1q86 n LYS 90 Cb 0.00 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1q86 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1q86 s LYS 91 N -1.61 3.59 0.19 1.97 1.02 0.08 -4.93 119.74 120.05 1q86 s LYS 91 Ca 0.08 -0.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.81 1q86 s LYS 91 Cb 0.09 -2.76 0.17 0.00 -0.52 0.00 0.00 37.83 34.81 1q86 s LYS 91 CO 0.32 0.34 1.77 0.37 -0.92 0.00 0.00 175.35 177.23 1q86 h GLN 92 N 2.04 0.45 -0.77 1.68 4.15 -1.93 0.12 115.11 120.85 1q86 h GLN 92 Ca -0.47 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 1q86 h GLN 92 Cb 1.18 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 1q86 h GLN 92 CO 0.68 0.30 0.37 -0.09 -1.93 0.00 0.00 178.83 178.16 1q86 h ARG 93 N 0.47 1.11 -0.15 1.69 2.43 -1.94 -1.86 114.38 116.12 1q86 h ARG 93 Ca 0.24 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1q86 h ARG 93 Cb 0.20 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1q86 h ARG 93 CO -0.20 0.86 -0.11 0.78 -1.51 0.00 0.00 179.97 179.79 1q86 h GLY 94 N 1.14 0.37 2.00 2.80 0.00 -1.38 -1.97 103.07 106.03 1q86 h GLY 94 Ca 0.27 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1q86 h GLY 94 CO -0.03 0.33 -0.22 -0.09 0.00 0.00 0.00 176.54 176.52 1q86 h ARG 95 N -0.01 0.00 0.15 4.80 2.43 -0.92 -0.56 114.38 120.27 1q86 h ARG 95 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1q86 h ARG 95 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1q86 h ARG 95 CO 0.03 0.22 -0.07 0.93 -1.51 0.00 0.00 179.97 179.56 1q86 h GLU 96 N 0.00 -0.20 0.39 0.20 5.08 -1.16 -1.64 114.58 117.25 1q86 h GLU 96 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1q86 h GLU 96 Cb 0.41 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1q86 h GLU 96 CO 0.03 0.08 -0.19 0.00 -1.00 0.00 0.00 179.01 177.93 1q86 h ALA 97 N 0.32 -0.53 -0.46 3.43 0.00 -0.98 -2.27 119.26 118.77 1q86 h ALA 97 Ca -0.02 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1q86 h ALA 97 Cb 0.37 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1q86 h ALA 97 CO 0.03 -0.77 -0.13 0.35 0.00 0.00 0.00 179.25 178.73 1q86 h PHE 98 N -0.57 -0.30 0.00 0.00 3.57 -1.17 0.12 116.94 118.59 1q86 h PHE 98 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1q86 h PHE 98 Cb 0.43 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1q86 h PHE 98 CO -0.04 -0.22 0.00 0.93 -2.23 0.00 0.00 178.31 176.75 1q86 h GLU 99 N -0.03 0.00 -0.91 1.11 5.08 -1.19 -0.30 114.58 118.35 1q86 h GLU 99 Ca 0.22 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.23 1q86 h GLU 99 Cb 0.36 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.40 1q86 h GLU 99 CO -0.49 0.00 0.45 -1.13 -1.00 0.00 0.00 179.01 176.84 1q86 n SER 100 N -2.68 4.05 -3.76 1.42 3.41 0.40 -4.82 113.62 111.65 1q86 n SER 100 Ca -0.01 -3.29 -0.17 0.00 -0.26 0.00 0.00 58.87 55.14 1q86 n SER 100 Cb 0.14 -0.77 -0.16 0.00 -0.26 0.00 0.00 64.21 63.16 1q86 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q86 s VAL 101 N -2.86 -0.00 -0.01 -3.33 1.01 -0.12 -2.33 120.40 112.75 1q86 s VAL 101 Ca 0.50 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1q86 s VAL 101 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.64 1q86 s VAL 101 CO 0.11 0.12 -0.08 -0.13 0.00 0.00 0.00 175.10 175.13 1q86 s ARG 102 N 1.30 0.70 -0.04 2.72 0.52 -0.86 -4.97 118.95 118.31 1q86 s ARG 102 Ca -0.06 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.87 1q86 s ARG 102 Cb -0.13 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 1q86 s ARG 102 CO -0.03 0.14 0.04 0.08 0.02 0.00 0.00 175.30 175.55 1q86 s VAL 103 N -0.04 4.49 0.09 3.52 1.01 -1.26 -0.76 120.40 127.45 1q86 s VAL 103 Ca 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1q86 s VAL 103 Cb -0.05 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1q86 s VAL 103 CO -0.00 0.48 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 1q86 s TYR 104 N -1.03 1.29 -0.19 5.22 1.51 0.87 -4.91 117.35 120.10 1q86 s TYR 104 Ca 0.18 -0.51 -0.25 0.00 -1.01 0.00 0.00 57.07 55.48 1q86 s TYR 104 Cb -0.12 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1q86 s TYR 104 CO 0.08 0.09 0.81 -0.51 -1.11 0.00 0.00 175.55 174.90 1q86 s LEU 105 N -2.06 4.15 0.00 -1.29 1.43 -1.26 -2.18 118.68 117.48 1q86 s LEU 105 Ca 0.03 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1q86 s LEU 105 Cb -0.08 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1q86 s LEU 105 CO 0.02 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1q86 n GLY 106 N 3.55 -0.22 2.86 -3.19 0.00 -1.26 -4.68 105.19 102.25 1q86 n GLY 106 Ca 0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1q86 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q86 s ASN 107 N -4.00 3.84 0.00 1.61 3.04 -1.26 0.14 114.94 118.31 1q86 s ASN 107 Ca 0.00 -1.36 0.28 0.00 0.04 0.00 0.00 52.86 51.82 1q86 s ASN 107 Cb 0.00 -1.04 1.48 0.00 -1.54 0.00 0.00 41.25 40.15 1q86 s ASN 107 CO 0.00 -0.32 1.97 -0.81 -3.04 0.00 0.00 177.10 174.91 1q86 n PRO 108 N 4.74 1.19 -1.17 0.43 -0.04 -1.26 -4.87 135.00 134.01 1q86 n PRO 108 Ca -0.07 -0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.08 1q86 n PRO 108 Cb 0.44 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1q86 n PRO 108 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1q86 n TYR 109 N -0.62 -3.00 -0.10 0.54 4.02 -1.26 -5.07 117.16 111.67 1q86 n TYR 109 Ca 0.20 -0.27 -0.20 0.00 -0.01 0.00 0.00 57.90 57.62 1q86 n TYR 109 Cb 0.17 -0.08 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 1q86 n TYR 109 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1q86 n ASP 110 N -2.93 1.68 -4.70 7.72 8.00 -1.26 -4.97 116.55 120.09 1q86 n ASP 110 Ca 0.02 0.29 -0.36 0.00 0.71 0.00 0.00 54.79 55.45 1q86 n ASP 110 Cb 0.08 -0.68 0.09 0.00 -0.02 0.00 0.00 41.12 40.59 1q86 n ASP 110 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q86 n GLU 111 N -4.11 0.73 -3.38 -1.24 1.02 -1.26 -4.96 120.64 107.45 1q86 n GLU 111 Ca -0.36 0.31 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 1q86 n GLU 111 Cb 0.72 -2.45 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 1q86 n GLU 111 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q86 s ASP 112 N -1.64 6.62 1.15 1.62 1.11 -1.26 -5.03 116.67 119.24 1q86 s ASP 112 Ca 0.78 0.73 -0.12 0.00 0.18 0.00 0.00 52.55 54.12 1q86 s ASP 112 Cb -0.35 -2.26 0.28 0.00 1.07 0.00 0.00 42.92 41.66 1q86 s ASP 112 CO 0.45 0.04 1.04 -0.83 1.18 0.00 0.00 175.17 177.04 1q86 s GLY 113 N 0.54 1.56 0.37 0.21 0.00 -1.26 -5.01 107.32 103.73 1q86 s GLY 113 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1q86 s GLY 113 CO 0.09 0.67 0.56 -1.83 0.00 0.00 0.00 173.10 172.59 1q86 s GLU 114 N -4.44 3.20 -0.18 2.90 -1.05 0.13 -4.53 118.70 114.73 1q86 s GLU 114 Ca 0.69 -0.63 -0.04 0.00 -0.15 0.00 0.00 54.97 54.83 1q86 s GLU 114 Cb -0.25 -2.69 -0.02 0.00 -0.44 0.00 0.00 34.13 30.73 1q86 s GLU 114 CO 0.64 -0.02 -0.03 0.08 0.95 0.00 0.00 175.26 176.89 1q86 s VAL 115 N -2.34 3.79 0.40 1.83 1.01 -1.26 -0.16 120.40 123.67 1q86 s VAL 115 Ca 0.44 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 1q86 s VAL 115 Cb -0.10 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1q86 s VAL 115 CO 0.35 0.46 1.01 -0.76 0.00 0.00 0.00 175.10 176.15 1q86 s LEU 116 N 0.79 4.10 0.37 3.92 1.43 -1.26 -4.99 118.68 123.04 1q86 s LEU 116 Ca -0.01 1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 1q86 s LEU 116 Cb -0.14 -4.27 -0.11 0.00 0.03 0.00 0.00 46.19 41.70 1q86 s LEU 116 CO 0.02 -0.43 1.50 -1.81 0.23 0.00 0.00 176.35 175.86 1q86 s ASP 117 N -1.74 6.34 -1.39 2.29 1.01 -1.26 -3.00 116.67 118.92 1q86 s ASP 117 Ca 0.58 3.04 0.00 0.00 0.71 0.00 0.00 52.55 56.89 1q86 s ASP 117 Cb -0.18 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.08 1q86 s ASP 117 CO 0.23 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1q86 n GLY 118 N 0.64 0.80 0.00 0.21 0.00 -1.26 -4.86 105.19 100.72 1q86 n GLY 118 Ca 0.02 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1q86 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q86 n THR 119 N -3.16 0.00 -2.48 2.61 -2.24 -1.16 -4.97 114.28 102.89 1q86 n THR 119 Ca -0.15 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 1q86 n THR 119 Cb 0.53 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 1q86 n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q86 s SER 120 N -2.30 7.23 -0.18 3.42 0.15 -1.26 -0.04 113.70 120.72 1q86 s SER 120 Ca -0.01 2.25 -0.04 0.00 0.70 0.00 0.00 55.95 58.86 1q86 s SER 120 Cb 0.04 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1q86 s SER 120 CO 0.22 -0.17 -0.04 -0.22 1.20 0.00 0.00 173.24 174.23 1q86 s LEU 121 N -1.53 3.04 -0.68 3.45 2.96 0.30 -4.87 118.68 121.36 1q86 s LEU 121 Ca 0.45 -0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 53.84 1q86 s LEU 121 Cb -0.31 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.67 1q86 s LEU 121 CO 0.40 0.08 1.16 -0.62 -1.32 0.00 0.00 176.35 176.04 1q86 s ASP 122 N 0.91 6.23 0.60 3.68 -1.08 -1.26 -4.87 116.67 120.87 1q86 s ASP 122 Ca -0.00 -0.48 0.29 0.00 -0.52 0.00 0.00 52.55 51.83 1q86 s ASP 122 Cb -0.15 -2.51 1.53 0.00 -1.46 0.00 0.00 42.92 40.34 1q86 s ASP 122 CO 0.01 -1.63 1.95 0.03 0.52 0.00 0.00 175.17 176.05 1q86 h ARG 123 N 9.77 0.00 0.00 4.34 3.08 -1.96 -0.92 114.38 128.69 1q86 h ARG 123 Ca -0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1q86 h ARG 123 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1q86 h ARG 123 CO 1.22 0.00 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.64 1q86 h LEU 124 N 0.00 0.00 -3.00 3.04 3.38 -2.06 -3.20 115.31 113.48 1q86 h LEU 124 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1q86 h LEU 124 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1q86 h LEU 124 CO -0.00 0.41 -0.39 -1.54 0.09 0.00 0.00 178.44 177.01 1q86 n SER 125 N -3.60 1.85 -3.67 -0.43 3.41 -0.38 -4.97 113.62 105.82 1q86 n SER 125 Ca -0.00 -3.70 -0.10 0.00 -0.26 0.00 0.00 58.87 54.81 1q86 n SER 125 Cb 0.52 -0.50 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 1q86 n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1q86 s ASN 126 N -3.14 -0.21 -0.03 4.04 0.01 -1.03 -5.00 114.94 109.58 1q86 s ASN 126 Ca 0.36 0.89 0.04 0.00 -0.71 0.00 0.00 52.86 53.44 1q86 s ASN 126 Cb 0.35 1.08 -0.06 0.00 0.41 0.00 0.00 41.25 43.03 1q86 s ASN 126 CO -0.05 -0.22 0.05 -0.38 -1.51 0.00 0.00 177.10 174.99 1q86 n ILE 127 N 5.09 0.16 -3.14 0.60 5.41 -1.26 -4.66 119.36 121.56 1q86 n ILE 127 Ca -0.12 -0.14 -0.45 0.00 1.00 0.00 0.00 62.75 63.03 1q86 n ILE 127 Cb 0.51 -0.34 -0.02 0.00 -0.71 0.00 0.00 39.64 39.08 1q86 n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1q86 s LYS 128 N -2.19 3.70 0.27 0.38 1.02 -1.26 -4.95 119.74 116.71 1q86 s LYS 128 Ca -0.02 -2.26 -0.21 0.00 0.02 0.00 0.00 55.97 53.50 1q86 s LYS 128 Cb 0.02 -4.69 0.04 0.00 -0.52 0.00 0.00 37.83 32.68 1q86 s LYS 128 CO 0.17 -1.52 0.81 -0.59 -0.92 0.00 0.00 175.35 173.30 1q86 s PHE 129 N 1.16 -0.08 0.04 3.18 -0.12 -1.17 -1.40 117.98 119.58 1q86 s PHE 129 Ca 0.27 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1q86 s PHE 129 Cb -0.07 0.73 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1q86 s PHE 129 CO -0.08 -1.22 0.01 0.08 -0.05 0.00 0.00 175.22 173.95 1q86 s VAL 130 N -3.26 0.16 -0.09 -2.49 1.01 0.36 -4.78 120.40 111.31 1q86 s VAL 130 Ca 0.13 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 1q86 s VAL 130 Cb -0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1q86 s VAL 130 CO 0.07 -0.72 0.26 -0.89 0.00 0.00 0.00 175.10 173.83 1q86 s THR 131 N -2.73 5.30 0.25 3.92 2.01 -1.26 -1.46 115.64 121.67 1q86 s THR 131 Ca -0.04 0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 1q86 s THR 131 Cb -0.01 -3.56 0.22 0.00 0.01 0.00 0.00 72.50 69.17 1q86 s THR 131 CO -0.05 0.56 1.81 -0.07 -0.69 0.00 0.00 174.62 176.17 1q86 h LEU 132 N 5.23 0.69 -0.83 4.42 3.38 -1.41 0.10 115.31 126.90 1q86 h LEU 132 Ca -0.51 0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.60 1q86 h LEU 132 Cb 1.21 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1q86 h LEU 132 CO 0.63 0.38 0.49 1.23 0.09 0.00 0.00 178.44 181.26 1q86 h GLY 133 N 0.80 1.29 0.92 0.83 0.00 -1.59 0.98 103.07 106.29 1q86 h GLY 133 Ca 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1q86 h GLY 133 CO -0.26 0.16 0.10 0.83 0.00 0.00 0.00 176.54 177.37 1q86 h GLU 134 N 0.84 0.28 -0.00 4.80 5.08 -1.14 -0.52 114.58 123.92 1q86 h GLU 134 Ca 0.39 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1q86 h GLU 134 Cb 0.32 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1q86 h GLU 134 CO -0.23 0.31 -0.24 0.82 -1.00 0.00 0.00 179.01 178.67 1q86 h ILE 135 N 0.19 0.46 -0.97 3.13 2.04 -0.17 -1.56 117.51 120.63 1q86 h ILE 135 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1q86 h ILE 135 Cb 0.12 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1q86 h ILE 135 CO -0.01 0.00 0.62 0.28 0.00 0.00 0.00 178.15 179.04 1q86 h SER 136 N -0.37 0.94 -0.54 1.72 0.02 -0.64 0.20 113.55 114.88 1q86 h SER 136 Ca 0.06 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1q86 h SER 136 Cb 0.45 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1q86 h SER 136 CO -0.21 0.56 0.19 -0.33 -1.14 0.00 0.00 176.83 175.89 1q86 h GLU 137 N 1.04 0.87 -0.33 3.45 5.08 -0.50 -0.23 114.58 123.97 1q86 h GLU 137 Ca 0.45 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1q86 h GLU 137 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1q86 h GLU 137 CO -0.20 0.75 -0.19 1.15 -1.00 0.00 0.00 179.01 179.53 1q86 h THR 138 N 0.85 1.29 0.00 1.13 2.02 0.02 -2.65 112.91 115.57 1q86 h THR 138 Ca 0.19 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1q86 h THR 138 Cb 0.24 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1q86 h THR 138 CO -0.01 0.43 0.00 0.18 0.37 0.00 0.00 175.52 176.49 1q86 n LEU 139 N -4.32 0.06 0.00 2.58 4.77 0.49 -4.81 117.00 115.76 1q86 n LEU 139 Ca -0.03 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1q86 n LEU 139 Cb 0.41 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1q86 n LEU 139 CO 0.43 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1q86 n GLY 140 N -0.94 0.42 3.19 -0.72 0.00 -0.93 -5.06 105.19 101.15 1q86 n GLY 140 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1q86 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 141 N -1.49 -4.32 -2.50 4.61 0.00 -0.14 -4.91 120.51 111.76 1q86 n ALA 141 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 53.44 52.21 1q86 n ALA 141 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 1q86 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q86 s ASN 142 N -1.47 6.22 -0.92 0.00 3.84 -1.26 -4.72 114.94 116.63 1q86 s ASN 142 Ca 0.48 -0.51 -0.26 0.00 0.21 0.00 0.00 52.86 52.78 1q86 s ASN 142 Cb -0.15 -2.24 -0.15 0.00 -0.55 0.00 0.00 41.25 38.16 1q86 s ASN 142 CO 0.73 -0.58 2.23 -0.75 -2.79 0.00 0.00 177.10 175.95 1q86 s LYS 143 N 2.25 1.66 -0.52 0.43 2.20 -1.26 -4.68 119.74 119.82 1q86 s LYS 143 Ca 0.14 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1q86 s LYS 143 Cb -0.16 -4.91 0.47 0.00 -1.51 0.00 0.00 37.83 31.72 1q86 s LYS 143 CO 0.14 -4.59 1.95 -2.37 -0.36 0.00 0.00 175.35 170.12 1q86 n THR 144 N 8.68 3.27 -1.58 3.43 5.66 -1.26 -5.22 114.28 127.26 1q86 n THR 144 Ca 0.44 -2.30 0.00 0.00 -3.05 0.00 0.00 64.05 59.15 1q86 n THR 144 Cb 0.45 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 1q86 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35