#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 h VAL 2 N 0.00 1.19 -0.22 -1.45 -1.51 -1.98 -3.28 116.25 108.99 1q86 h VAL 2 Ca 0.00 -2.97 0.00 0.00 -1.23 0.00 0.00 66.70 62.50 1q86 h VAL 2 Cb 0.00 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1q86 h VAL 2 CO 0.00 0.70 0.00 0.00 -1.23 0.00 0.00 177.57 177.04 1q86 n TYR 3 N -3.19 0.28 -3.62 5.19 0.18 -1.26 -4.80 117.16 109.94 1q86 n TYR 3 Ca -0.11 -0.14 -0.40 0.00 1.88 0.00 0.00 57.90 59.14 1q86 n TYR 3 Cb 1.01 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.86 1q86 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1q86 s VAL 4 N -1.72 4.57 -1.64 -3.48 1.01 -1.24 -4.88 120.40 113.02 1q86 s VAL 4 Ca 0.35 -0.70 0.15 0.00 0.00 0.00 0.00 61.98 61.77 1q86 s VAL 4 Cb 0.20 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 33.18 1q86 s VAL 4 CO 0.30 -0.12 0.90 0.47 0.00 0.00 0.00 175.10 176.64 1q86 n ASP 5 N 4.99 1.94 -3.73 3.32 8.00 -1.26 -4.74 116.55 125.06 1q86 n ASP 5 Ca -0.13 -1.47 -0.14 0.00 0.71 0.00 0.00 54.79 53.77 1q86 n ASP 5 Cb 0.47 0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 41.68 1q86 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1q86 s PHE 6 N -1.45 -0.31 -0.17 1.24 -0.12 -1.26 -5.14 117.98 110.77 1q86 s PHE 6 Ca 0.15 0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 57.54 1q86 s PHE 6 Cb 0.12 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1q86 s PHE 6 CO 0.26 -0.36 0.18 0.34 -0.05 0.00 0.00 175.22 175.59 1q86 s ASP 7 N -0.82 6.32 -0.37 1.98 2.15 -1.26 -4.98 116.67 119.69 1q86 s ASP 7 Ca -0.09 0.37 -0.15 0.00 0.43 0.00 0.00 52.55 53.11 1q86 s ASP 7 Cb -0.04 -2.11 -0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1q86 s ASP 7 CO 0.04 0.22 0.32 -0.69 -0.17 0.00 0.00 175.17 174.89 1q86 s VAL 8 N 0.01 5.22 0.32 1.11 1.01 -1.26 -5.06 120.40 121.75 1q86 s VAL 8 Ca 0.12 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1q86 s VAL 8 Cb -0.12 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1q86 s VAL 8 CO 0.01 -0.17 0.99 -2.65 0.00 0.00 0.00 175.10 173.28 1q86 n PRO 9 N 5.27 1.32 -0.30 2.72 -0.02 -1.26 -4.72 135.00 138.01 1q86 n PRO 9 Ca -0.10 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 1q86 n PRO 9 Cb 0.49 -1.86 0.20 0.00 -0.02 0.00 0.00 33.50 32.31 1q86 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q86 h ALA 10 N 1.87 0.90 -0.20 3.55 0.00 -1.99 -0.88 119.26 122.50 1q86 h ALA 10 Ca -0.40 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1q86 h ALA 10 Cb 1.34 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1q86 h ALA 10 CO 0.60 -0.47 0.12 -0.44 0.00 0.00 0.00 179.25 179.06 1q86 h ASP 11 N 0.05 0.24 -0.91 0.00 3.32 -2.00 -2.18 116.42 114.95 1q86 h ASP 11 Ca 0.49 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.57 1q86 h ASP 11 Cb 0.91 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.33 1q86 h ASP 11 CO -0.81 0.21 0.57 0.25 -1.72 0.00 0.00 179.24 177.74 1q86 h LEU 12 N 0.25 0.89 -1.29 1.55 6.46 -1.53 0.46 115.31 122.10 1q86 h LEU 12 Ca 0.07 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1q86 h LEU 12 Cb 0.01 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 1q86 h LEU 12 CO -0.01 0.56 0.48 -0.08 -0.62 0.00 0.00 178.44 178.76 1q86 h GLU 13 N 1.02 0.96 0.13 1.25 4.81 -1.03 -1.13 114.58 120.59 1q86 h GLU 13 Ca 0.40 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1q86 h GLU 13 Cb 0.21 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1q86 h GLU 13 CO -0.19 0.63 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.22 1q86 h ASP 14 N 0.99 -0.15 -0.79 1.04 3.32 -0.31 -0.45 116.42 120.08 1q86 h ASP 14 Ca 0.27 -0.18 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1q86 h ASP 14 Cb -0.11 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1q86 h ASP 14 CO -0.06 0.10 0.52 0.44 -1.72 0.00 0.00 179.24 178.52 1q86 h ASP 15 N -0.40 0.67 0.48 6.45 3.32 -1.00 0.56 116.42 126.49 1q86 h ASP 15 Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1q86 h ASP 15 Cb 0.32 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1q86 h ASP 15 CO 0.03 0.40 -0.23 0.00 -1.72 0.00 0.00 179.24 177.72 1q86 h ALA 16 N 1.60 -0.65 -0.82 3.45 0.00 -0.89 -1.49 119.26 120.47 1q86 h ALA 16 Ca 0.36 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1q86 h ALA 16 Cb 0.42 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1q86 h ALA 16 CO -0.14 -0.76 0.55 -0.07 0.00 0.00 0.00 179.25 178.83 1q86 h LEU 17 N -0.86 0.94 0.06 0.00 3.38 -0.61 -1.22 115.31 117.00 1q86 h LEU 17 Ca -0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1q86 h LEU 17 Cb 0.58 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1q86 h LEU 17 CO 0.11 0.68 -0.24 -0.33 0.09 0.00 0.00 178.44 178.75 1q86 h GLU 18 N 1.11 -0.39 -0.96 1.13 5.08 -0.87 -1.50 114.58 118.18 1q86 h GLU 18 Ca 0.30 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.85 1q86 h GLU 18 Cb -0.12 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 1q86 h GLU 18 CO -0.07 -0.26 0.60 0.00 -1.00 0.00 0.00 179.01 178.28 1q86 h ALA 19 N 0.40 1.77 -0.60 3.43 0.00 -0.78 -0.84 119.26 122.65 1q86 h ALA 19 Ca 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1q86 h ALA 19 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1q86 h ALA 19 CO -0.18 -0.07 0.14 1.25 0.00 0.00 0.00 179.25 180.40 1q86 h LEU 20 N 0.74 0.91 -0.63 0.00 5.85 -0.29 -0.31 115.31 121.59 1q86 h LEU 20 Ca 0.50 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1q86 h LEU 20 Cb 0.80 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1q86 h LEU 20 CO -0.27 0.91 0.30 -0.33 -0.34 0.00 0.00 178.44 178.72 1q86 h GLU 21 N 0.87 0.91 0.00 1.25 5.08 -0.21 -0.34 114.58 122.14 1q86 h GLU 21 Ca 0.19 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1q86 h GLU 21 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1q86 h GLU 21 CO 0.00 0.73 -0.42 -0.39 -1.00 0.00 0.00 179.01 177.93 1q86 h VAL 22 N 0.87 0.98 -0.58 3.13 -1.51 -1.33 -2.90 116.25 114.92 1q86 h VAL 22 Ca 0.22 -1.65 -0.10 0.00 -1.23 0.00 0.00 66.70 63.94 1q86 h VAL 22 Cb 0.12 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 1q86 h VAL 22 CO -0.03 0.41 -0.04 0.00 -1.23 0.00 0.00 177.57 176.69 1q86 h ALA 23 N 1.58 0.84 0.00 5.19 0.00 0.02 0.40 119.26 127.29 1q86 h ALA 23 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1q86 h ALA 23 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1q86 h ALA 23 CO 0.05 0.67 -0.41 0.07 0.00 0.00 0.00 179.25 179.63 1q86 h ARG 24 N 0.94 0.00 0.12 0.00 0.11 -0.91 0.53 114.38 115.18 1q86 h ARG 24 Ca 0.16 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.89 1q86 h ARG 24 Cb 0.59 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1q86 h ARG 24 CO 0.04 0.41 -1.90 -0.44 0.10 0.00 0.00 179.97 178.18 1q86 h ASP 25 N 0.00 0.41 0.21 0.08 3.32 -1.34 -3.41 116.42 115.68 1q86 h ASP 25 Ca -0.00 -0.92 -0.35 0.00 0.02 0.00 0.00 57.03 55.78 1q86 h ASP 25 Cb 0.74 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1q86 h ASP 25 CO 0.05 1.82 -1.99 0.41 -1.72 0.00 0.00 179.24 177.82 1q86 n THR 26 N -3.58 1.68 -0.77 0.35 -1.04 0.14 -5.01 114.28 106.05 1q86 n THR 26 Ca -0.31 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.00 1q86 n THR 26 Cb 1.02 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1q86 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q86 n GLY 27 N 1.88 5.17 3.21 3.41 0.00 0.17 -4.66 105.19 114.36 1q86 n GLY 27 Ca -0.29 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 1q86 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 s ALA 28 N -2.00 1.55 0.06 4.61 0.00 -0.39 -4.55 121.76 121.03 1q86 s ALA 28 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1q86 s ALA 28 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1q86 s ALA 28 CO 0.00 0.34 -0.04 0.14 0.00 0.00 0.00 175.76 176.19 1q86 s VAL 29 N -0.80 0.37 -0.11 0.00 -7.23 -1.26 0.33 120.40 111.70 1q86 s VAL 29 Ca 0.06 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1q86 s VAL 29 Cb -0.08 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.51 1q86 s VAL 29 CO 0.01 -0.86 -0.22 -0.54 -0.31 0.00 0.00 175.10 173.19 1q86 s LYS 30 N -3.43 3.10 -0.14 4.82 -0.14 0.25 -4.80 119.74 119.40 1q86 s LYS 30 Ca 0.04 -0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 53.79 1q86 s LYS 30 Cb 0.04 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 1q86 s LYS 30 CO -0.07 0.16 -0.06 0.15 -0.76 0.00 0.00 175.35 174.77 1q86 s LYS 31 N 0.42 3.53 0.00 1.68 1.02 -1.26 -0.46 119.74 124.67 1q86 s LYS 31 Ca -0.16 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1q86 s LYS 31 Cb -0.17 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1q86 s LYS 31 CO 0.07 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1q86 n GLY 32 N 3.41 2.57 0.36 -3.33 0.00 -0.67 -4.61 105.19 102.91 1q86 n GLY 32 Ca -0.18 -1.52 0.07 0.00 0.00 0.00 0.00 46.02 44.39 1q86 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q86 h THR 33 N 0.00 1.01 0.60 2.61 2.02 -1.93 -0.64 112.91 116.57 1q86 h THR 33 Ca 0.00 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1q86 h THR 33 Cb 0.00 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1q86 h THR 33 CO 0.00 0.14 -0.29 -1.13 0.37 0.00 0.00 175.52 174.61 1q86 h ASN 34 N 0.77 -0.68 -0.07 4.18 -1.24 -1.92 0.41 115.58 117.03 1q86 h ASN 34 Ca 0.33 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.33 1q86 h ASN 34 Cb 0.30 0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 1q86 h ASN 34 CO -0.12 -0.37 0.06 -0.33 -1.29 0.00 0.00 177.43 175.38 1q86 h GLU 35 N -0.99 0.00 -0.12 6.67 5.08 -1.75 -1.13 114.58 122.34 1q86 h GLU 35 Ca -0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 1q86 h GLU 35 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1q86 h GLU 35 CO 0.13 0.00 -0.45 1.15 -1.00 0.00 0.00 179.01 178.85 1q86 h THR 36 N 0.00 1.37 -0.74 1.13 2.02 -0.88 -3.07 112.91 112.74 1q86 h THR 36 Ca 0.03 -1.76 0.01 0.00 0.77 0.00 0.00 66.41 65.47 1q86 h THR 36 Cb 0.15 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 1q86 h THR 36 CO -0.00 0.53 0.48 0.74 0.37 0.00 0.00 175.52 177.64 1q86 h THR 37 N 0.11 1.17 0.00 3.16 2.02 0.32 -2.12 112.91 117.57 1q86 h THR 37 Ca -0.02 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1q86 h THR 37 Cb 1.08 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1q86 h THR 37 CO 0.09 0.18 -0.22 0.11 0.37 0.00 0.00 175.52 176.05 1q86 h LYS 38 N 0.98 0.00 0.00 6.66 1.57 -1.43 -2.28 116.57 122.07 1q86 h LYS 38 Ca 0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1q86 h LYS 38 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1q86 h LYS 38 CO -0.07 0.22 -0.00 0.77 -0.57 0.00 0.00 179.45 179.80 1q86 h SER 39 N 0.00 -0.00 -0.91 0.86 0.02 -1.29 0.71 113.55 112.94 1q86 h SER 39 Ca -0.00 -0.43 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1q86 h SER 39 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.02 1q86 h SER 39 CO 0.03 0.43 0.59 0.40 -1.14 0.00 0.00 176.83 177.14 1q86 h ILE 40 N -0.43 1.03 -0.05 3.27 2.04 -1.27 0.75 117.51 122.84 1q86 h ILE 40 Ca -0.00 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1q86 h ILE 40 Cb 0.43 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1q86 h ILE 40 CO 0.00 0.18 -0.28 -0.33 0.00 0.00 0.00 178.15 177.72 1q86 h GLU 41 N 0.99 0.28 0.00 2.37 5.08 -1.32 -3.07 114.58 118.91 1q86 h GLU 41 Ca 0.41 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1q86 h GLU 41 Cb 0.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1q86 h GLU 41 CO -0.16 0.89 0.00 0.54 -1.00 0.00 0.00 179.01 179.28 1q86 n ARG 42 N -4.47 0.01 0.00 2.33 1.74 0.23 -4.90 116.66 111.60 1q86 n ARG 42 Ca -0.09 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1q86 n ARG 42 Cb 0.49 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1q86 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 43 N 0.77 2.58 0.05 -0.13 0.00 0.25 -4.90 105.19 103.81 1q86 n GLY 43 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1q86 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q86 n SER 44 N 0.00 0.02 -4.73 1.61 3.41 -0.70 -4.71 113.62 108.53 1q86 n SER 44 Ca 0.00 -0.47 -0.35 0.00 -0.26 0.00 0.00 58.87 57.79 1q86 n SER 44 Cb 0.00 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 1q86 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q86 s ALA 45 N -1.90 3.64 -0.20 7.33 0.00 -1.22 -4.28 121.76 125.13 1q86 s ALA 45 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1q86 s ALA 45 Cb 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 23.12 20.94 1q86 s ALA 45 CO 0.00 0.24 -0.19 0.39 0.00 0.00 0.00 175.76 176.20 1q86 n GLU 46 N 3.27 0.48 -3.68 0.00 1.02 -1.15 -4.77 120.64 115.81 1q86 n GLU 46 Ca -0.17 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 1q86 n GLU 46 Cb 0.52 -1.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.46 1q86 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1q86 s LEU 47 N -6.35 -0.14 -0.06 -4.62 2.96 -1.23 -3.63 118.68 105.61 1q86 s LEU 47 Ca -0.27 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1q86 s LEU 47 Cb 0.08 0.88 -0.03 0.00 0.50 0.00 0.00 46.19 47.62 1q86 s LEU 47 CO 0.44 -0.21 -0.13 0.68 -1.32 0.00 0.00 176.35 175.80 1q86 s VAL 48 N 2.02 3.19 -0.13 1.68 -7.23 -0.07 0.08 120.40 119.93 1q86 s VAL 48 Ca -0.03 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 59.41 1q86 s VAL 48 Cb -0.11 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1q86 s VAL 48 CO -0.10 0.59 0.06 -0.36 -0.31 0.00 0.00 175.10 174.98 1q86 s PHE 49 N -0.69 3.30 -0.12 2.82 0.40 0.42 -1.04 117.98 123.07 1q86 s PHE 49 Ca 0.11 0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.65 1q86 s PHE 49 Cb -0.11 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.53 1q86 s PHE 49 CO 0.01 0.42 -0.02 0.08 0.70 0.00 0.00 175.22 176.41 1q86 s VAL 50 N -0.47 0.68 0.84 -0.44 1.01 -0.66 -1.01 120.40 120.35 1q86 s VAL 50 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1q86 s VAL 50 Cb -0.12 -0.87 0.10 0.00 0.00 0.00 0.00 36.38 35.49 1q86 s VAL 50 CO 0.02 0.19 1.12 0.00 0.00 0.00 0.00 175.10 176.42 1q86 s ALA 51 N 1.83 1.91 -0.66 5.51 0.00 -0.32 -1.59 121.76 128.43 1q86 s ALA 51 Ca 0.03 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.49 1q86 s ALA 51 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1q86 s ALA 51 CO -0.07 -2.21 0.51 0.39 0.00 0.00 0.00 175.76 174.38 1q86 n GLU 52 N -3.84 2.97 -1.35 0.00 1.02 -0.03 -4.55 120.64 114.86 1q86 n GLU 52 Ca 0.10 -0.34 -0.26 0.00 -0.02 0.00 0.00 57.16 56.65 1q86 n GLU 52 Cb 0.53 -1.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.06 1q86 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1q86 n ASP 53 N -0.66 5.54 -4.76 1.62 5.75 -1.19 -4.43 116.55 118.42 1q86 n ASP 53 Ca 0.03 -3.75 -0.38 0.00 -0.01 0.00 0.00 54.79 50.68 1q86 n ASP 53 Cb 0.17 -0.78 -0.06 0.00 -1.03 0.00 0.00 41.12 39.42 1q86 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1q86 s VAL 54 N -4.22 5.07 -0.07 2.12 1.01 -1.26 -4.88 120.40 118.16 1q86 s VAL 54 Ca 0.57 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 1q86 s VAL 54 Cb 0.47 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1q86 s VAL 54 CO 0.02 0.40 0.14 -1.58 0.00 0.00 0.00 175.10 174.09 1q86 s GLN 55 N 0.04 0.02 0.60 2.72 -0.44 -1.26 -3.80 119.66 117.53 1q86 s GLN 55 Ca 0.27 0.50 -0.18 0.00 -2.50 0.00 0.00 55.36 53.45 1q86 s GLN 55 Cb -0.16 -0.31 -0.03 0.00 -1.64 0.00 0.00 33.01 30.87 1q86 s GLN 55 CO 0.13 -0.29 1.16 -2.14 0.50 0.00 0.00 175.29 174.65 1q86 s PRO 56 N 2.13 3.02 0.00 1.67 0.02 -1.26 -5.07 135.00 135.52 1q86 s PRO 56 Ca 0.02 1.68 0.19 0.00 0.02 0.00 0.00 61.00 62.91 1q86 s PRO 56 Cb -0.12 -1.95 0.85 0.00 0.02 0.00 0.00 34.50 33.30 1q86 s PRO 56 CO -0.05 -1.13 1.62 0.39 -0.33 0.00 0.00 177.00 177.50 1q86 n GLU 57 N -1.70 0.04 -0.22 5.54 1.02 -1.25 -3.24 120.64 120.84 1q86 n GLU 57 Ca 0.12 0.16 -0.07 0.00 -0.02 0.00 0.00 57.16 57.36 1q86 n GLU 57 Cb 0.50 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1q86 n GLU 57 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1q86 h GLU 58 N 0.00 0.86 0.00 3.49 3.07 -1.98 -1.91 114.58 118.12 1q86 h GLU 58 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1q86 h GLU 58 Cb 0.31 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1q86 h GLU 58 CO 0.00 0.67 0.51 0.82 -1.40 0.00 0.00 179.01 179.60 1q86 h ILE 59 N 0.84 0.00 0.00 3.13 2.04 -1.96 -2.97 117.51 118.59 1q86 h ILE 59 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1q86 h ILE 59 Cb 0.06 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1q86 h ILE 59 CO -0.03 0.00 -0.44 0.52 0.00 0.00 0.00 178.15 178.20 1q86 n VAL 60 N -2.52 0.00 -0.21 1.67 0.31 -1.07 -4.86 118.33 111.65 1q86 n VAL 60 Ca -0.01 -0.01 0.21 0.00 -0.01 0.00 0.00 64.34 64.51 1q86 n VAL 60 Cb 0.53 0.28 0.38 0.00 -0.91 0.00 0.00 33.84 34.12 1q86 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1q86 n MET 61 N -0.69 -0.04 0.10 5.55 2.81 -0.74 -0.30 117.12 123.82 1q86 n MET 61 Ca 0.00 0.88 -0.05 0.00 -1.81 0.00 0.00 57.70 56.72 1q86 n MET 61 Cb 0.00 -1.58 0.09 0.00 -0.71 0.00 0.00 33.22 31.02 1q86 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1q86 h HIS 62 N 0.00 0.19 -0.86 2.03 2.07 -1.89 -3.37 115.15 113.32 1q86 h HIS 62 Ca 0.54 -0.08 0.08 0.00 -2.85 0.00 0.00 60.37 58.06 1q86 h HIS 62 Cb 1.45 -0.03 -0.10 0.00 2.57 0.00 0.00 27.41 31.29 1q86 h HIS 62 CO -0.01 0.79 -0.51 -0.89 -3.07 0.00 0.00 177.93 174.24 1q86 n ILE 63 N -3.77 -0.58 0.00 6.12 2.08 0.59 -1.27 119.36 122.53 1q86 n ILE 63 Ca -0.02 2.26 0.00 0.00 0.56 0.00 0.00 62.75 65.55 1q86 n ILE 63 Cb 0.68 -2.82 0.00 0.00 -0.75 0.00 0.00 39.64 36.75 1q86 n ILE 63 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1q86 n PRO 64 N -4.95 0.00 -0.29 0.38 -0.02 -1.26 -0.49 135.00 128.37 1q86 n PRO 64 Ca 0.02 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1q86 n PRO 64 Cb 0.22 -1.15 0.35 0.00 -0.02 0.00 0.00 33.50 32.90 1q86 n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1q86 h GLU 65 N 0.00 0.72 -0.25 -0.52 4.81 -1.80 0.51 114.58 118.06 1q86 h GLU 65 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1q86 h GLU 65 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1q86 h GLU 65 CO 0.00 0.48 0.10 1.25 -0.73 0.00 0.00 179.01 180.11 1q86 h LEU 66 N 0.75 0.14 -0.07 1.64 5.85 -0.94 -1.03 115.31 121.65 1q86 h LEU 66 Ca 0.47 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 1q86 h LEU 66 Cb 0.71 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1q86 h LEU 66 CO -0.23 0.11 0.03 0.00 -0.34 0.00 0.00 178.44 178.01 1q86 h ALA 67 N 1.14 0.09 -0.75 1.25 0.00 0.66 -2.69 119.26 118.95 1q86 h ALA 67 Ca 0.11 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1q86 h ALA 67 Cb 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1q86 h ALA 67 CO -0.09 -0.35 0.32 -0.44 0.00 0.00 0.00 179.25 178.68 1q86 h ASP 68 N -0.01 0.32 -0.00 0.00 3.32 -0.60 0.51 116.42 119.97 1q86 h ASP 68 Ca 0.02 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1q86 h ASP 68 Cb 0.12 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1q86 h ASP 68 CO -0.00 0.14 0.00 -1.84 -1.72 0.00 0.00 179.24 175.81 1q86 n GLU 69 N -4.97 1.00 -0.07 3.56 0.28 -0.42 -2.60 120.64 117.42 1q86 n GLU 69 Ca 0.14 -0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.17 1q86 n GLU 69 Cb 0.39 -1.27 0.05 0.00 1.43 0.00 0.00 31.44 32.04 1q86 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q86 n LYS 70 N -0.76 1.75 0.00 3.44 4.76 0.16 -5.00 118.16 122.51 1q86 n LYS 70 Ca 0.13 -1.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.83 1q86 n LYS 70 Cb 0.06 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1q86 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q86 n GLY 71 N -0.74 0.22 3.73 0.72 0.00 -0.08 -4.92 105.19 104.11 1q86 n GLY 71 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1q86 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1q86 n VAL 72 N -1.28 0.25 -2.50 1.61 0.31 -1.12 -4.94 118.33 110.67 1q86 n VAL 72 Ca 0.00 -0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 1q86 n VAL 72 Cb 0.00 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 30.91 1q86 n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1q86 s PRO 73 N 0.76 4.33 -0.01 5.55 0.02 -1.24 -4.44 135.00 139.97 1q86 s PRO 73 Ca 0.72 1.64 -0.03 0.00 0.02 0.00 0.00 61.00 63.36 1q86 s PRO 73 Cb -0.50 -2.79 -0.00 0.00 0.02 0.00 0.00 34.50 31.22 1q86 s PRO 73 CO 0.36 -0.02 0.05 -0.59 -0.33 0.00 0.00 177.00 176.47 1q86 s PHE 74 N -1.45 0.05 0.05 6.54 -0.12 -1.26 -0.90 117.98 120.89 1q86 s PHE 74 Ca 0.53 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.37 1q86 s PHE 74 Cb -0.26 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.05 1q86 s PHE 74 CO 0.33 -0.13 -0.14 -1.50 -0.05 0.00 0.00 175.22 173.73 1q86 s ILE 75 N -0.68 1.13 0.06 -4.49 2.07 -0.21 -4.94 121.20 114.13 1q86 s ILE 75 Ca -0.08 -1.14 -0.13 0.00 -1.41 0.00 0.00 60.65 57.90 1q86 s ILE 75 Cb -0.05 -1.05 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 1q86 s ILE 75 CO 0.00 -0.09 0.43 -0.36 -1.91 0.00 0.00 174.94 173.01 1q86 s PHE 76 N -1.03 3.65 0.02 3.50 2.99 -1.26 -1.65 117.98 124.20 1q86 s PHE 76 Ca 0.00 0.93 0.08 0.00 0.00 0.00 0.00 56.93 57.94 1q86 s PHE 76 Cb -0.09 -2.25 -0.02 0.00 0.00 0.00 0.00 43.02 40.66 1q86 s PHE 76 CO 0.02 0.56 -0.23 0.08 -0.00 0.00 0.00 175.22 175.65 1q86 s VAL 77 N -1.27 1.86 -0.05 -0.44 1.01 -0.62 -4.86 120.40 116.03 1q86 s VAL 77 Ca 0.30 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1q86 s VAL 77 Cb -0.15 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1q86 s VAL 77 CO 0.16 0.37 0.44 -0.33 0.00 0.00 0.00 175.10 175.74 1q86 h GLU 78 N 5.11 -0.36 -6.68 2.72 4.39 -1.94 -0.03 114.58 117.79 1q86 h GLU 78 Ca -0.43 0.02 -0.50 0.00 0.34 0.00 0.00 59.36 58.79 1q86 h GLU 78 Cb 1.14 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1q86 h GLU 78 CO 0.45 -0.24 0.35 -0.65 -1.16 0.00 0.00 179.01 177.76 1q86 s GLN 79 N -2.75 4.80 0.08 2.33 -1.52 -1.26 -3.15 119.66 118.18 1q86 s GLN 79 Ca -0.05 1.46 -0.07 0.00 -1.95 0.00 0.00 55.36 54.75 1q86 s GLN 79 Cb 0.01 -3.31 -0.26 0.00 -0.22 0.00 0.00 33.01 29.23 1q86 s GLN 79 CO 0.16 0.42 1.15 0.37 -0.25 0.00 0.00 175.29 177.14 1q86 h GLN 80 N 4.63 0.38 0.00 2.91 4.15 -1.88 -3.19 115.11 122.11 1q86 h GLN 80 Ca -0.44 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.40 1q86 h GLN 80 Cb 1.20 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1q86 h GLN 80 CO 0.69 1.25 0.00 -0.44 -1.93 0.00 0.00 178.83 178.40 1q86 h ASP 81 N 0.14 0.00 0.09 -0.69 3.32 -1.91 -1.24 116.42 116.13 1q86 h ASP 81 Ca -0.15 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.68 1q86 h ASP 81 Cb 1.92 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.50 1q86 h ASP 81 CO 0.21 0.00 -0.92 0.44 -1.72 0.00 0.00 179.24 177.25 1q86 h ASP 82 N 0.00 0.66 -0.48 6.45 3.32 -1.93 -1.87 116.42 122.58 1q86 h ASP 82 Ca 0.00 -0.84 -0.06 0.00 0.02 0.00 0.00 57.03 56.16 1q86 h ASP 82 Cb 0.77 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1q86 h ASP 82 CO 0.00 1.43 0.09 0.25 -1.72 0.00 0.00 179.24 179.29 1q86 h LEU 83 N -0.01 0.79 -0.19 1.55 5.85 -1.53 0.23 115.31 121.99 1q86 h LEU 83 Ca -0.14 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1q86 h LEU 83 Cb 1.65 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1q86 h LEU 83 CO 0.18 0.80 0.01 1.23 -0.34 0.00 0.00 178.44 180.32 1q86 h GLY 84 N 0.98 0.35 0.96 3.75 0.00 -1.47 -1.05 103.07 106.59 1q86 h GLY 84 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1q86 h GLY 84 CO 0.01 0.23 0.12 0.84 0.00 0.00 0.00 176.54 177.73 1q86 h HIS 85 N 0.09 0.27 -0.96 5.60 -0.00 -1.04 0.17 115.15 119.28 1q86 h HIS 85 Ca 0.05 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.52 1q86 h HIS 85 Cb 0.36 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 27.61 1q86 h HIS 85 CO 0.03 0.22 0.61 0.00 -0.00 0.00 0.00 177.93 178.79 1q86 h ALA 86 N 1.02 1.53 0.00 5.26 0.00 -0.46 0.38 119.26 126.99 1q86 h ALA 86 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1q86 h ALA 86 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1q86 h ALA 86 CO -0.01 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1q86 n ALA 87 N -2.38 2.22 -0.57 0.00 0.00 -0.41 -3.94 120.51 115.43 1q86 n ALA 87 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1q86 n ALA 87 Cb 0.28 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1q86 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 88 N 0.62 0.85 3.82 0.00 0.00 0.13 -4.97 105.19 105.65 1q86 n GLY 88 Ca 0.12 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1q86 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q86 s LEU 89 N 0.00 3.98 0.00 0.99 1.43 0.57 -4.99 118.68 120.66 1q86 s LEU 89 Ca 0.00 0.08 0.29 0.00 -1.03 0.00 0.00 54.13 53.47 1q86 s LEU 89 Cb 0.00 -2.62 1.25 0.00 0.03 0.00 0.00 46.19 44.85 1q86 s LEU 89 CO 0.00 0.18 1.89 1.21 0.23 0.00 0.00 176.35 179.86 1q86 n GLU 90 N 0.44 0.40 -3.51 1.70 2.13 -1.26 -3.68 120.64 116.86 1q86 n GLU 90 Ca -0.08 -0.09 -0.21 0.00 0.66 0.00 0.00 57.16 57.45 1q86 n GLU 90 Cb 0.51 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 1q86 n GLU 90 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1q86 n VAL 91 N -1.22 0.00 -2.52 6.31 0.31 -1.26 -5.01 118.33 114.94 1q86 n VAL 91 Ca 0.12 -1.59 -0.24 0.00 -0.01 0.00 0.00 64.34 62.61 1q86 n VAL 91 Cb 0.28 0.09 0.12 0.00 -0.91 0.00 0.00 33.84 33.43 1q86 n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q86 s GLY 92 N -3.16 1.76 -0.18 2.92 0.00 -1.26 -3.86 107.32 103.53 1q86 s GLY 92 Ca 0.10 -1.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.02 1q86 s GLY 92 CO 0.06 -1.10 0.42 -0.45 0.00 0.00 0.00 173.10 172.03 1q86 s SER 93 N -4.78 -0.42 0.25 1.64 0.15 -0.51 -4.69 113.70 105.34 1q86 s SER 93 Ca 0.68 0.95 -0.04 0.00 0.70 0.00 0.00 55.95 58.24 1q86 s SER 93 Cb -0.05 1.03 0.29 0.00 -1.71 0.00 0.00 66.02 65.58 1q86 s SER 93 CO 0.46 -0.21 1.82 0.00 1.20 0.00 0.00 173.24 176.51 1q86 h ALA 94 N 7.55 1.16 -1.99 5.45 0.00 -1.96 -3.39 119.26 126.08 1q86 h ALA 94 Ca -0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1q86 h ALA 94 Cb 1.15 -0.28 -0.19 0.00 0.00 0.00 0.00 17.79 18.47 1q86 h ALA 94 CO 0.22 0.61 0.23 0.00 0.00 0.00 0.00 179.25 180.30 1q86 s ALA 95 N -5.48 -1.78 0.06 0.00 0.00 -1.26 -1.18 121.76 112.12 1q86 s ALA 95 Ca -0.11 1.32 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 1q86 s ALA 95 Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1q86 s ALA 95 CO 0.82 -0.38 -0.04 0.00 0.00 0.00 0.00 175.76 176.16 1q86 s ALA 96 N -1.28 0.58 -0.05 0.00 0.00 -0.18 -1.68 121.76 119.15 1q86 s ALA 96 Ca -0.10 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1q86 s ALA 96 Cb -0.00 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1q86 s ALA 96 CO 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 175.76 175.50 1q86 s ALA 97 N -3.41 0.76 -0.70 0.00 0.00 0.39 0.16 121.76 118.96 1q86 s ALA 97 Ca 0.04 -0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 1q86 s ALA 97 Cb 0.04 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1q86 s ALA 97 CO -0.07 -0.07 1.17 0.08 0.00 0.00 0.00 175.76 176.87 1q86 s VAL 98 N 1.04 3.93 -0.87 0.00 1.01 0.11 0.84 120.40 126.46 1q86 s VAL 98 Ca -0.09 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 1q86 s VAL 98 Cb -0.14 -4.82 0.12 0.00 0.00 0.00 0.00 36.38 31.53 1q86 s VAL 98 CO -0.01 -1.68 1.10 0.28 0.00 0.00 0.00 175.10 174.80 1q86 s THR 99 N 5.15 4.62 -0.13 3.92 -1.32 0.15 -2.96 115.64 125.07 1q86 s THR 99 Ca 0.32 -1.29 -0.03 0.00 -1.21 0.00 0.00 61.69 59.47 1q86 s THR 99 Cb -0.10 -4.77 0.01 0.00 -1.51 0.00 0.00 72.50 66.13 1q86 s THR 99 CO 0.15 -1.51 0.06 0.47 -2.21 0.00 0.00 174.62 171.58 1q86 n ASP 100 N 6.86 -3.23 -2.97 8.08 9.92 -1.25 -3.19 116.55 130.77 1q86 n ASP 100 Ca 0.18 0.73 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 1q86 n ASP 100 Cb 0.48 -3.26 0.00 0.00 -0.64 0.00 0.00 41.12 37.71 1q86 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q86 n ALA 101 N 0.62 0.00 -3.31 2.24 0.00 -1.26 -1.27 120.51 117.52 1q86 n ALA 101 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1q86 n ALA 101 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1q86 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q86 s GLY 102 N -0.75 -0.43 -1.08 0.00 0.00 -1.26 -3.82 107.32 99.99 1q86 s GLY 102 Ca 0.00 2.69 -0.00 0.00 0.00 0.00 0.00 44.72 47.41 1q86 s GLY 102 CO 0.00 3.40 0.01 0.00 0.00 0.00 0.00 173.10 176.51 1q86 n ALA 103 N 5.24 -0.78 -1.65 3.20 0.00 -1.26 -4.29 120.51 120.97 1q86 n ALA 103 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1q86 n ALA 103 Cb 0.52 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1q86 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q86 n ALA 104 N -2.23 0.00 0.06 0.00 0.00 -1.26 -4.90 120.51 112.19 1q86 n ALA 104 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1q86 n ALA 104 Cb 0.61 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.23 1q86 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q86 n ALA 105 N 0.00 0.73 -0.14 0.00 0.00 -1.26 -0.12 120.51 119.72 1q86 n ALA 105 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1q86 n ALA 105 Cb 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1q86 n ALA 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q86 n THR 106 N -1.66 0.00 -0.31 0.00 -1.04 -1.26 -3.20 114.28 106.82 1q86 n THR 106 Ca -0.00 0.43 0.03 0.00 -2.04 0.00 0.00 64.05 62.46 1q86 n THR 106 Cb 0.18 -1.36 0.10 0.00 -1.82 0.00 0.00 70.33 67.43 1q86 n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1q86 h VAL 107 N 0.00 0.12 0.07 12.58 2.07 -1.83 -0.51 116.25 128.75 1q86 h VAL 107 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q86 h VAL 107 Cb 0.00 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1q86 h VAL 107 CO 0.00 0.00 -0.25 0.25 0.02 0.00 0.00 177.57 177.59 1q86 h LEU 108 N -0.01 -0.75 -1.27 2.57 5.85 -0.73 -0.60 115.31 120.36 1q86 h LEU 108 Ca 0.40 0.08 0.46 0.00 0.84 0.00 0.00 57.88 59.66 1q86 h LEU 108 Cb 0.63 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.78 1q86 h LEU 108 CO -0.89 -0.27 0.78 -0.08 -0.34 0.00 0.00 178.44 177.64 1q86 h GLU 109 N -0.37 0.01 0.00 1.25 4.81 -1.09 1.45 114.58 120.65 1q86 h GLU 109 Ca -0.00 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1q86 h GLU 109 Cb 0.36 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1q86 h GLU 109 CO -0.13 0.01 -0.78 0.93 -0.73 0.00 0.00 179.01 178.31 1q86 h GLU 110 N 0.01 0.00 -0.31 1.92 5.08 -0.37 -2.54 114.58 118.37 1q86 h GLU 110 Ca 0.87 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 59.11 1q86 h GLU 110 Cb 2.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.88 1q86 h GLU 110 CO -0.55 0.78 -0.29 0.82 -1.00 0.00 0.00 179.01 178.77 1q86 h ILE 111 N 0.00 1.28 -0.57 3.13 2.04 0.35 0.17 117.51 123.90 1q86 h ILE 111 Ca -0.01 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.39 1q86 h ILE 111 Cb 1.48 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1q86 h ILE 111 CO 0.10 0.45 0.09 0.00 0.00 0.00 0.00 178.15 178.80 1q86 h ALA 112 N 1.13 1.09 -0.02 1.87 0.00 -1.08 -1.65 119.26 120.59 1q86 h ALA 112 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1q86 h ALA 112 Cb 0.77 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1q86 h ALA 112 CO 0.06 0.60 -0.01 -0.44 0.00 0.00 0.00 179.25 179.46 1q86 h ASP 113 N 0.87 0.04 -0.76 0.00 3.32 -0.97 -1.91 116.42 117.01 1q86 h ASP 113 Ca 0.18 -0.44 0.12 0.00 0.02 0.00 0.00 57.03 56.92 1q86 h ASP 113 Cb 0.38 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.83 1q86 h ASP 113 CO 0.01 0.47 0.36 0.11 -1.72 0.00 0.00 179.24 178.46 1q86 h LYS 114 N -0.39 0.53 -0.07 3.56 1.57 -0.47 -1.35 116.57 119.96 1q86 h LYS 114 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1q86 h LYS 114 Cb 0.46 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1q86 h LYS 114 CO 0.00 0.35 -0.01 0.28 -0.57 0.00 0.00 179.45 179.51 1q86 h VAL 115 N 0.55 1.28 -0.95 0.50 2.07 -1.28 0.17 116.25 118.58 1q86 h VAL 115 Ca 0.40 -0.86 0.22 0.00 0.82 0.00 0.00 66.70 67.28 1q86 h VAL 115 Cb 0.53 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1q86 h VAL 115 CO -0.34 0.24 0.62 -0.33 0.02 0.00 0.00 177.57 177.78 1q86 h GLU 116 N -0.20 0.41 0.00 1.57 4.39 -0.82 0.92 114.58 120.85 1q86 h GLU 116 Ca 0.02 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1q86 h GLU 116 Cb 0.38 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1q86 h GLU 116 CO 0.01 0.27 -0.64 0.93 -1.16 0.00 0.00 179.01 178.41 1q86 h GLU 117 N 0.42 0.00 0.00 2.33 5.08 -0.90 -2.56 114.58 118.95 1q86 h GLU 117 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1q86 h GLU 117 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1q86 h GLU 117 CO -0.21 0.64 0.00 -0.11 -1.00 0.00 0.00 179.01 178.33 1q86 n LEU 118 N -3.35 0.00 0.00 1.33 7.94 0.31 -5.09 117.00 118.13 1q86 n LEU 118 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1q86 n LEU 118 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1q86 n LEU 118 CO 0.42 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.56