#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s GLN 2 N 0.00 2.78 -0.21 2.12 1.03 -1.26 -0.52 119.66 123.60 1q86 s GLN 2 Ca 0.00 -0.68 0.01 0.00 0.04 0.00 0.00 55.36 54.73 1q86 s GLN 2 Cb 0.00 -2.68 0.05 0.00 0.03 0.00 0.00 33.01 30.41 1q86 s GLN 2 CO 0.00 0.59 -0.09 0.00 -2.54 0.00 0.00 175.29 173.24 1q86 s ALA 3 N -1.25 2.05 -0.61 2.60 0.00 0.50 -4.66 121.76 120.38 1q86 s ALA 3 Ca 0.25 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 1q86 s ALA 3 Cb -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1q86 s ALA 3 CO 0.17 -0.93 1.44 0.99 0.00 0.00 0.00 175.76 177.42 1q86 s THR 4 N 1.37 3.72 0.46 0.00 2.01 -1.26 -0.58 115.64 121.36 1q86 s THR 4 Ca -0.03 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.29 1q86 s THR 4 Cb -0.17 -4.49 -0.07 0.00 0.01 0.00 0.00 72.50 67.77 1q86 s THR 4 CO -0.07 -1.30 1.20 -0.63 -0.69 0.00 0.00 174.62 173.12 1q86 s ILE 5 N 6.35 2.93 0.11 1.82 1.01 -1.19 -4.43 121.20 127.81 1q86 s ILE 5 Ca 0.50 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1q86 s ILE 5 Cb -0.10 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1q86 s ILE 5 CO 0.22 0.00 -0.20 -0.31 0.00 0.00 0.00 174.94 174.66 1q86 s TYR 6 N -1.48 1.75 0.27 3.97 1.51 -0.95 -1.27 117.35 121.15 1q86 s TYR 6 Ca 0.64 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1q86 s TYR 6 Cb -0.31 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1q86 s TYR 6 CO 0.38 0.22 0.42 0.16 -1.11 0.00 0.00 175.55 175.62 1q86 s ASP 7 N -2.06 6.32 0.00 2.29 -4.77 -0.79 -0.94 116.67 116.72 1q86 s ASP 7 Ca 0.08 0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.55 1q86 s ASP 7 Cb -0.09 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 39.81 1q86 s ASP 7 CO 0.04 -0.14 0.00 0.18 0.70 0.00 0.00 175.17 175.95 1q86 n LEU 8 N -1.46 0.00 -0.00 2.11 4.77 -1.26 0.17 117.00 121.33 1q86 n LEU 8 Ca -0.07 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1q86 n LEU 8 Cb 0.56 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1q86 n LEU 8 CO 0.47 0.00 -0.44 0.47 -1.33 0.00 0.00 177.39 176.56 1q86 n ASP 9 N -0.30 2.32 0.00 -1.43 8.00 -1.26 -4.75 116.55 119.13 1q86 n ASP 9 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1q86 n ASP 9 Cb 0.00 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 1q86 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q86 n GLY 10 N 1.79 1.04 3.90 0.44 0.00 0.13 -4.90 105.19 107.59 1q86 n GLY 10 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1q86 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q86 s ASN 11 N -2.03 6.37 0.55 1.61 0.01 -1.25 -4.87 114.94 115.33 1q86 s ASN 11 Ca 0.00 0.38 -0.21 0.00 -0.71 0.00 0.00 52.86 52.32 1q86 s ASN 11 Cb 0.00 -2.02 -0.05 0.00 0.41 0.00 0.00 41.25 39.59 1q86 s ASN 11 CO 0.00 0.30 1.24 0.35 -1.51 0.00 0.00 177.10 177.49 1q86 n THR 12 N 1.24 3.70 -2.90 1.60 -2.24 -1.26 -1.88 114.28 112.53 1q86 n THR 12 Ca -0.13 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1q86 n THR 12 Cb 0.53 -1.50 0.04 0.00 -2.10 0.00 0.00 70.33 67.30 1q86 n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1q86 n ASP 13 N -0.82 -0.75 0.00 3.42 -0.08 -0.39 -4.80 116.55 113.12 1q86 n ASP 13 Ca 0.11 -3.24 0.00 0.00 -1.51 0.00 0.00 54.79 50.15 1q86 n ASP 13 Cb 0.45 0.65 0.00 0.00 2.34 0.00 0.00 41.12 44.56 1q86 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q86 n GLY 14 N 0.21 -0.71 0.00 0.27 0.00 -1.26 -4.71 105.19 98.99 1q86 n GLY 14 Ca 0.13 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1q86 n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q86 n GLU 15 N 0.00 0.00 -4.39 1.61 0.28 -1.26 -3.13 120.64 113.75 1q86 n GLU 15 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1q86 n GLU 15 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 1q86 n GLU 15 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1q86 s VAL 16 N -1.50 2.51 0.15 3.84 1.01 0.25 -4.85 120.40 121.81 1q86 s VAL 16 Ca 0.00 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 1q86 s VAL 16 Cb 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1q86 s VAL 16 CO 0.00 -0.19 1.16 -1.81 0.00 0.00 0.00 175.10 174.27 1q86 s ASP 17 N -3.70 7.14 -0.38 3.32 1.01 -1.26 0.19 116.67 122.99 1q86 s ASP 17 Ca 0.34 2.13 -0.29 0.00 0.71 0.00 0.00 52.55 55.45 1q86 s ASP 17 Cb 0.01 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.35 1q86 s ASP 17 CO 0.19 -0.35 1.33 -0.22 0.21 0.00 0.00 175.17 176.33 1q86 s LEU 18 N 0.04 3.69 0.75 1.23 2.96 0.33 -4.78 118.68 122.91 1q86 s LEU 18 Ca 0.53 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 55.18 1q86 s LEU 18 Cb -0.31 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.75 1q86 s LEU 18 CO 0.34 -1.29 -0.04 -0.81 -1.32 0.00 0.00 176.35 173.24 1q86 n PRO 19 N 7.78 0.08 -0.29 0.98 -0.04 -1.26 -4.08 135.00 138.17 1q86 n PRO 19 Ca 0.15 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1q86 n PRO 19 Cb 0.48 -1.36 0.23 0.00 -0.04 0.00 0.00 33.50 32.80 1q86 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1q86 h ASP 20 N -0.53 0.50 -1.01 3.54 3.32 -1.93 -2.81 116.42 117.50 1q86 h ASP 20 Ca -0.44 0.10 0.24 0.00 0.02 0.00 0.00 57.03 56.95 1q86 h ASP 20 Cb 1.36 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.82 1q86 h ASP 20 CO 0.36 0.20 0.62 -0.37 -1.72 0.00 0.00 179.24 178.33 1q86 h VAL 21 N 0.60 0.57 0.00 -1.35 -1.51 -1.89 0.81 116.25 113.48 1q86 h VAL 21 Ca 0.47 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1q86 h VAL 21 Cb 0.68 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 1q86 h VAL 21 CO -0.38 0.10 0.00 0.49 -1.23 0.00 0.00 177.57 176.56 1q86 n PHE 22 N -4.80 0.00 0.02 5.19 3.01 -1.06 0.83 117.46 120.66 1q86 n PHE 22 Ca 0.26 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.78 1q86 n PHE 22 Cb 0.74 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.35 1q86 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1q86 n GLU 23 N -0.88 2.22 -2.25 -1.08 1.02 0.28 -4.61 120.64 115.34 1q86 n GLU 23 Ca 0.03 -1.86 -0.41 0.00 -0.02 0.00 0.00 57.16 54.90 1q86 n GLU 23 Cb 0.01 -1.28 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1q86 n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1q86 s THR 24 N -1.01 3.28 0.06 2.62 2.01 0.24 -4.93 115.64 117.91 1q86 s THR 24 Ca 0.23 1.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 1q86 s THR 24 Cb 0.13 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1q86 s THR 24 CO 0.17 0.17 1.83 -2.16 -0.69 0.00 0.00 174.62 173.94 1q86 s PRO 25 N -0.21 4.15 0.04 4.92 0.04 -1.26 -4.72 135.00 137.96 1q86 s PRO 25 Ca 0.55 2.51 -0.34 0.00 0.04 0.00 0.00 61.00 63.77 1q86 s PRO 25 Cb -0.36 -3.85 -0.12 0.00 0.04 0.00 0.00 34.50 30.21 1q86 s PRO 25 CO 0.38 -0.87 1.77 0.28 0.04 0.00 0.00 177.00 178.60 1q86 n VAL 26 N 5.12 0.34 -3.50 -0.36 0.31 -1.26 -4.81 118.33 114.18 1q86 n VAL 26 Ca 0.18 -0.06 -0.27 0.00 -0.01 0.00 0.00 64.34 64.18 1q86 n VAL 26 Cb 0.40 -1.80 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 1q86 n VAL 26 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1q86 n ARG 27 N 5.34 1.64 -0.33 5.55 3.00 -1.26 -4.96 116.66 125.63 1q86 n ARG 27 Ca 0.20 -4.11 0.25 0.00 -0.00 0.00 0.00 57.85 54.18 1q86 n ARG 27 Cb 0.31 -1.97 0.54 0.00 0.00 0.00 0.00 32.46 31.34 1q86 n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1q86 h SER 28 N 4.67 0.40 0.52 6.15 4.64 -1.94 -0.90 113.55 127.09 1q86 h SER 28 Ca 0.17 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1q86 h SER 28 Cb 0.77 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1q86 h SER 28 CO 0.66 0.06 -0.25 -2.24 -0.87 0.00 0.00 176.83 174.19 1q86 h ASP 29 N 0.34 -0.59 -1.00 4.97 2.03 -1.93 0.81 116.42 121.04 1q86 h ASP 29 Ca 0.61 -0.01 0.06 0.00 -0.73 0.00 0.00 57.03 56.96 1q86 h ASP 29 Cb 1.64 0.15 -0.07 0.00 -0.83 0.00 0.00 39.33 40.22 1q86 h ASP 29 CO -0.29 -0.38 0.65 -0.07 -1.03 0.00 0.00 179.24 178.13 1q86 h LEU 30 N -0.77 1.04 0.46 0.15 3.38 -1.62 -1.43 115.31 116.52 1q86 h LEU 30 Ca -0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1q86 h LEU 30 Cb 0.57 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1q86 h LEU 30 CO 0.12 0.67 -0.25 0.40 0.09 0.00 0.00 178.44 179.47 1q86 h ILE 31 N 1.18 0.48 -0.85 1.22 2.04 -1.10 -1.91 117.51 118.57 1q86 h ILE 31 Ca 0.43 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.48 1q86 h ILE 31 Cb 0.15 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1q86 h ILE 31 CO -0.17 0.00 0.57 1.23 0.00 0.00 0.00 178.15 179.78 1q86 h GLY 32 N -0.66 0.68 0.72 5.37 0.00 -0.19 -0.04 103.07 108.94 1q86 h GLY 32 Ca -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1q86 h GLY 32 CO 0.08 0.01 -0.02 1.70 0.00 0.00 0.00 176.54 178.31 1q86 h LYS 33 N 0.34 0.17 -0.83 4.80 3.64 -0.84 -1.55 116.57 122.29 1q86 h LYS 33 Ca 0.43 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.80 1q86 h LYS 33 Cb 1.16 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1q86 h LYS 33 CO -0.13 0.47 0.54 0.00 -2.27 0.00 0.00 179.45 178.06 1q86 h ALA 34 N 0.69 1.55 -0.10 5.00 0.00 -0.28 -1.29 119.26 124.83 1q86 h ALA 34 Ca 0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1q86 h ALA 34 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1q86 h ALA 34 CO 0.01 0.34 -0.63 0.28 0.00 0.00 0.00 179.25 179.25 1q86 h VAL 35 N 0.96 1.37 -0.38 0.00 2.07 -1.07 -2.41 116.25 116.79 1q86 h VAL 35 Ca 0.35 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1q86 h VAL 35 Cb 0.15 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1q86 h VAL 35 CO -0.12 0.60 0.17 0.03 0.02 0.00 0.00 177.57 178.27 1q86 h ARG 36 N 0.27 0.55 -0.31 1.57 3.08 -0.22 -1.39 114.38 117.93 1q86 h ARG 36 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1q86 h ARG 36 Cb 1.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1q86 h ARG 36 CO 0.11 0.50 0.16 0.00 -1.07 0.00 0.00 179.97 179.67 1q86 h ALA 37 N 1.02 0.40 -0.60 0.04 0.00 -1.21 -0.49 119.26 118.42 1q86 h ALA 37 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1q86 h ALA 37 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1q86 h ALA 37 CO -0.01 -0.05 0.23 0.00 0.00 0.00 0.00 179.25 179.41 1q86 h ALA 38 N 1.02 1.27 0.00 0.00 0.00 -1.31 0.34 119.26 120.59 1q86 h ALA 38 Ca 0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1q86 h ALA 38 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1q86 h ALA 38 CO -0.02 0.53 -0.67 1.96 0.00 0.00 0.00 179.25 181.06 1q86 h GLN 39 N 0.87 0.00 0.07 0.00 4.20 -0.92 -3.27 115.11 116.06 1q86 h GLN 39 Ca 0.20 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 1q86 h GLN 39 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1q86 h GLN 39 CO -0.02 0.67 -0.63 0.00 -0.67 0.00 0.00 178.83 178.18 1q86 h ALA 40 N 1.33 0.01 0.00 3.87 0.00 -0.75 -3.33 119.26 120.38 1q86 h ALA 40 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1q86 h ALA 40 Cb 1.25 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1q86 h ALA 40 CO 0.09 0.33 0.35 -0.91 0.00 0.00 0.00 179.25 179.11 1q86 h ASN 41 N -0.65 0.00 -0.50 0.00 2.35 -1.01 0.23 115.58 116.01 1q86 h ASN 41 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1q86 h ASN 41 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1q86 h ASN 41 CO 0.05 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.72 1q86 n ARG 42 N -2.56 2.56 -2.68 0.81 1.85 -1.23 -4.94 116.66 110.47 1q86 n ARG 42 Ca -0.01 -2.39 -0.40 0.00 -1.00 0.00 0.00 57.85 54.04 1q86 n ARG 42 Cb 0.39 -1.52 -0.05 0.00 -1.05 0.00 0.00 32.46 30.23 1q86 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1q86 s LYS 43 N -1.29 4.78 0.22 2.89 3.01 0.82 -5.04 119.74 125.13 1q86 s LYS 43 Ca 0.41 1.56 -0.12 0.00 -1.01 0.00 0.00 55.97 56.81 1q86 s LYS 43 Cb 0.23 -3.28 -0.07 0.00 -1.01 0.00 0.00 37.83 33.70 1q86 s LYS 43 CO 0.31 0.39 0.59 -0.65 0.51 0.00 0.00 175.35 176.50 1q86 s GLN 44 N -1.00 3.90 0.40 1.68 -0.21 -1.26 -4.99 119.66 118.17 1q86 s GLN 44 Ca 0.43 0.42 -0.25 0.00 0.02 0.00 0.00 55.36 55.98 1q86 s GLN 44 Cb -0.27 -2.69 -0.09 0.00 1.00 0.00 0.00 33.01 30.96 1q86 s GLN 44 CO 0.34 0.33 1.11 -0.51 -2.12 0.00 0.00 175.29 174.44 1q86 s ASP 45 N -2.15 6.64 0.19 5.90 -0.00 -1.26 -5.05 116.67 120.94 1q86 s ASP 45 Ca 0.46 2.20 -0.01 0.00 -0.00 0.00 0.00 52.55 55.20 1q86 s ASP 45 Cb -0.12 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.20 1q86 s ASP 45 CO 0.20 -0.58 0.26 0.00 -0.00 0.00 0.00 175.17 175.05 1q86 n TYR 46 N 0.04 -0.98 0.00 4.23 0.18 -1.26 -5.01 117.16 114.36 1q86 n TYR 46 Ca 0.05 -1.28 0.00 0.00 1.88 0.00 0.00 57.90 58.54 1q86 n TYR 46 Cb 0.48 0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.74 1q86 n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1q86 n GLY 47 N -0.31 4.16 3.73 -7.48 0.00 -1.26 -1.26 105.19 102.77 1q86 n GLY 47 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1q86 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q86 s SER 48 N 0.00 3.71 0.17 1.61 1.04 -1.19 -4.83 113.70 114.21 1q86 s SER 48 Ca 0.00 1.50 -0.32 0.00 0.48 0.00 0.00 55.95 57.61 1q86 s SER 48 Cb 0.00 -2.19 -0.12 0.00 0.10 0.00 0.00 66.02 63.82 1q86 s SER 48 CO 0.00 -2.49 1.77 -0.67 0.98 0.00 0.00 173.24 172.83 1q86 n ASP 49 N -3.79 3.99 -0.33 7.02 -0.08 -1.26 -4.86 116.55 117.25 1q86 n ASP 49 Ca 0.07 1.03 0.22 0.00 -1.51 0.00 0.00 54.79 54.60 1q86 n ASP 49 Cb 0.55 -1.56 0.49 0.00 2.34 0.00 0.00 41.12 42.94 1q86 n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1q86 h GLU 50 N 7.50 0.42 -0.52 -0.67 4.39 -1.98 -1.55 114.58 122.17 1q86 h GLU 50 Ca -0.45 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1q86 h GLU 50 Cb 1.21 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1q86 h GLU 50 CO 0.95 0.27 0.00 0.66 -1.16 0.00 0.00 179.01 179.74 1q86 n TYR 51 N -4.66 0.68 -1.65 4.33 4.02 -1.26 -4.94 117.16 113.68 1q86 n TYR 51 Ca 0.25 -0.38 -0.46 0.00 -0.01 0.00 0.00 57.90 57.30 1q86 n TYR 51 Cb 0.85 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.12 1q86 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q86 n ALA 52 N 1.41 1.16 0.00 -0.72 0.00 -0.59 -1.24 120.51 120.54 1q86 n ALA 52 Ca 0.20 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1q86 n ALA 52 Cb 0.58 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1q86 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 53 N 4.76 1.95 0.46 0.00 0.00 -1.26 -4.22 105.19 106.88 1q86 n GLY 53 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1q86 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q86 n LEU 54 N 0.00 1.69 -4.14 0.99 4.77 -0.37 -3.64 117.00 116.30 1q86 n LEU 54 Ca 0.00 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 54.99 1q86 n LEU 54 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1q86 n LEU 54 CO 0.00 0.30 1.98 0.54 -1.33 0.00 0.00 177.39 178.89 1q86 n ARG 55 N -0.03 3.29 -3.60 3.23 1.74 -1.24 -4.85 116.66 115.20 1q86 n ARG 55 Ca 0.13 -3.35 -0.07 0.00 -0.77 0.00 0.00 57.85 53.79 1q86 n ARG 55 Cb 0.42 -3.16 -0.05 0.00 -1.02 0.00 0.00 32.46 28.66 1q86 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1q86 s THR 56 N 2.15 0.00 -2.25 0.55 -1.32 -1.26 -5.03 115.64 108.47 1q86 s THR 56 Ca 0.45 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.14 1q86 s THR 56 Cb 0.06 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.52 1q86 s THR 56 CO -0.00 0.00 1.44 -0.81 -2.21 0.00 0.00 174.62 173.04 1q86 n PRO 57 N 0.59 2.28 -0.71 7.08 -0.04 -1.26 -5.01 135.00 137.93 1q86 n PRO 57 Ca -0.06 -1.95 -0.24 0.00 -0.04 0.00 0.00 63.50 61.21 1q86 n PRO 57 Cb 0.58 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 1q86 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q86 n ALA 58 N 1.12 -1.99 -2.30 0.55 0.00 -1.26 -4.98 120.51 111.65 1q86 n ALA 58 Ca 0.19 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1q86 n ALA 58 Cb 0.50 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 1q86 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q86 s GLU 59 N -0.51 0.62 -0.05 0.00 2.02 -0.64 -4.68 118.70 115.46 1q86 s GLU 59 Ca 0.32 -1.13 -0.17 0.00 0.02 0.00 0.00 54.97 54.01 1q86 s GLU 59 Cb -0.45 0.05 -0.05 0.00 0.10 0.00 0.00 34.13 33.77 1q86 s GLU 59 CO 0.29 -0.06 0.48 0.45 0.02 0.00 0.00 175.26 176.43 1q86 s SER 60 N -2.64 6.80 0.28 -0.19 0.15 -1.26 0.35 113.70 117.18 1q86 s SER 60 Ca 0.04 0.95 0.25 0.00 0.70 0.00 0.00 55.95 57.89 1q86 s SER 60 Cb 0.03 -2.29 0.95 0.00 -1.71 0.00 0.00 66.02 63.00 1q86 s SER 60 CO -0.07 0.14 1.75 -0.26 1.20 0.00 0.00 173.24 176.01 1q86 h PHE 61 N 5.73 0.00 0.00 3.44 -1.00 -1.91 -3.49 116.94 119.72 1q86 h PHE 61 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1q86 h PHE 61 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1q86 h PHE 61 CO 0.66 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.77 1q86 n GLY 62 N 0.40 -1.56 3.86 -1.45 0.00 -1.26 -4.88 105.19 100.30 1q86 n GLY 62 Ca 0.03 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1q86 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q86 s SER 63 N -4.00 5.38 0.00 1.61 0.01 -1.26 -4.62 113.70 110.82 1q86 s SER 63 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1q86 s SER 63 Cb 0.00 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1q86 s SER 63 CO 0.00 -1.40 0.00 0.61 0.41 0.00 0.00 173.24 172.86 1q86 n GLY 64 N -2.68 1.52 0.52 3.44 0.00 -1.26 -4.98 105.19 101.75 1q86 n GLY 64 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1q86 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q86 n ARG 65 N 0.00 0.94 -3.53 1.61 1.85 -1.26 -4.98 116.66 111.29 1q86 n ARG 65 Ca 0.00 -2.42 -0.22 0.00 -1.00 0.00 0.00 57.85 54.21 1q86 n ARG 65 Cb 0.00 -1.13 0.08 0.00 -1.05 0.00 0.00 32.46 30.36 1q86 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q86 n GLY 66 N -0.79 -0.47 3.12 2.89 0.00 -1.26 -5.00 105.19 103.68 1q86 n GLY 66 Ca 0.12 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 1q86 n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q86 s GLN 67 N -6.07 0.77 0.46 1.61 0.74 -1.26 -5.13 119.66 110.78 1q86 s GLN 67 Ca 0.44 -0.77 -0.23 0.00 0.05 0.00 0.00 55.36 54.85 1q86 s GLN 67 Cb -0.20 -0.72 -0.07 0.00 1.10 0.00 0.00 33.01 33.12 1q86 s GLN 67 CO 0.71 0.17 1.18 0.00 -0.55 0.00 0.00 175.29 176.80 1q86 s ALA 68 N -1.04 2.97 -1.11 1.58 0.00 -1.26 -4.84 121.76 118.06 1q86 s ALA 68 Ca -0.02 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 1q86 s ALA 68 Cb -0.09 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1q86 s ALA 68 CO 0.01 -0.71 1.92 0.72 0.00 0.00 0.00 175.76 177.70 1q86 n HIS 69 N -0.49 2.74 -5.14 0.00 -0.00 -1.26 -4.87 115.22 106.19 1q86 n HIS 69 Ca 0.07 -1.69 -0.31 0.00 -0.00 0.00 0.00 57.72 55.78 1q86 n HIS 69 Cb 0.48 -2.42 -0.17 0.00 -0.00 0.00 0.00 29.99 27.88 1q86 n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1q86 s VAL 70 N 8.95 1.99 0.20 1.59 1.01 -1.26 -4.98 120.40 127.90 1q86 s VAL 70 Ca 0.64 -0.98 -0.32 0.00 0.00 0.00 0.00 61.98 61.32 1q86 s VAL 70 Cb 0.03 -1.73 -0.12 0.00 0.00 0.00 0.00 36.38 34.56 1q86 s VAL 70 CO 0.12 0.54 1.68 -2.65 0.00 0.00 0.00 175.10 174.80 1q86 n PRO 71 N 3.58 2.62 -4.22 2.72 -0.02 -1.26 -4.33 135.00 134.09 1q86 n PRO 71 Ca -0.19 0.95 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1q86 n PRO 71 Cb 0.53 -2.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 1q86 n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1q86 s LYS 72 N 1.06 0.97 -0.10 -0.52 1.02 0.15 -0.73 119.74 121.59 1q86 s LYS 72 Ca 0.76 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 1q86 s LYS 72 Cb -0.55 -0.58 0.05 0.00 -0.52 0.00 0.00 37.83 36.24 1q86 s LYS 72 CO 0.34 0.08 0.22 -1.17 -0.92 0.00 0.00 175.35 173.90 1q86 s LEU 73 N -2.88 0.13 -1.38 3.17 2.96 0.83 -1.63 118.68 119.88 1q86 s LEU 73 Ca 0.12 0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.43 1q86 s LEU 73 Cb 0.01 0.59 0.03 0.00 0.50 0.00 0.00 46.19 47.31 1q86 s LEU 73 CO 0.00 -0.20 1.06 0.47 -1.32 0.00 0.00 176.35 176.36 1q86 n ASP 74 N 4.80 -4.88 -1.50 3.68 8.00 -1.26 -1.82 116.55 123.57 1q86 n ASP 74 Ca -0.15 -0.64 -0.19 0.00 0.71 0.00 0.00 54.79 54.52 1q86 n ASP 74 Cb 0.51 -4.63 -0.07 0.00 -0.02 0.00 0.00 41.12 36.90 1q86 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q86 n GLY 75 N -1.77 1.62 3.08 0.44 0.00 -1.26 -4.97 105.19 102.33 1q86 n GLY 75 Ca -0.05 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1q86 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q86 s ARG 76 N -3.71 2.21 0.62 1.61 3.52 -0.76 -5.11 118.95 117.34 1q86 s ARG 76 Ca 0.00 -0.57 -0.17 0.00 -0.13 0.00 0.00 55.73 54.86 1q86 s ARG 76 Cb 0.00 -1.81 -0.02 0.00 -1.56 0.00 0.00 34.95 31.57 1q86 s ARG 76 CO 0.00 0.01 1.15 0.00 -0.81 0.00 0.00 175.30 175.66 1q86 s ALA 77 N 0.75 2.49 0.34 6.12 0.00 -1.26 -0.12 121.76 130.08 1q86 s ALA 77 Ca -0.12 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.48 1q86 s ALA 77 Cb -0.16 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1q86 s ALA 77 CO 0.02 -1.21 0.68 1.03 0.00 0.00 0.00 175.76 176.28 1q86 s ARG 78 N -3.68 1.99 0.00 0.00 0.52 0.09 -4.81 118.95 113.06 1q86 s ARG 78 Ca 0.72 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1q86 s ARG 78 Cb -0.25 0.57 0.00 0.00 0.52 0.00 0.00 34.95 35.79 1q86 s ARG 78 CO 0.36 -0.90 0.00 -2.13 0.02 0.00 0.00 175.30 172.65 1q86 n ARG 79 N -0.50 0.00 -1.47 3.54 0.63 -1.24 -4.56 116.66 113.06 1q86 n ARG 79 Ca -0.05 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.43 1q86 n ARG 79 Cb 0.60 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.50 1q86 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1q86 n VAL 80 N 0.00 1.87 -0.08 5.15 0.24 -1.26 0.18 118.33 124.42 1q86 n VAL 80 Ca 0.00 -0.50 0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1q86 n VAL 80 Cb 0.00 -0.48 0.72 0.00 -1.47 0.00 0.00 33.84 32.60 1q86 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1q86 h PRO 81 N 1.26 0.00 -0.11 7.34 0.11 -1.90 -0.52 132.00 138.18 1q86 h PRO 81 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1q86 h PRO 81 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1q86 h PRO 81 CO 0.56 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 1q86 n GLN 82 N -4.15 1.58 -4.07 1.05 0.00 -1.26 -4.85 117.38 105.68 1q86 n GLN 82 Ca 0.14 -0.87 -0.36 0.00 0.00 0.00 0.00 57.00 55.91 1q86 n GLN 82 Cb 0.82 -1.39 -0.08 0.00 0.00 0.00 0.00 30.24 29.59 1q86 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q86 s ALA 83 N -1.86 3.56 0.20 2.61 0.00 -0.20 -5.04 121.76 121.04 1q86 s ALA 83 Ca 0.33 -0.72 -0.32 0.00 0.00 0.00 0.00 51.96 51.24 1q86 s ALA 83 Cb 0.17 -1.80 -0.12 0.00 0.00 0.00 0.00 23.12 21.37 1q86 s ALA 83 CO 0.27 0.49 1.71 0.28 0.00 0.00 0.00 175.76 178.51 1q86 n VAL 84 N 2.46 0.00 -0.79 0.00 0.31 -1.26 0.35 118.33 119.40 1q86 n VAL 84 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1q86 n VAL 84 Cb 0.54 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1q86 n VAL 84 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1q86 n LYS 85 N 3.93 0.00 -1.99 5.55 4.76 -1.26 -4.78 118.16 124.38 1q86 n LYS 85 Ca 0.16 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 1q86 n LYS 85 Cb 0.34 -2.15 0.13 0.00 -1.84 0.00 0.00 35.03 31.51 1q86 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q86 s GLY 86 N -1.88 1.69 0.87 0.72 0.00 0.15 -4.43 107.32 104.44 1q86 s GLY 86 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 1q86 s GLY 86 CO 0.00 -0.37 1.09 1.09 0.00 0.00 0.00 173.10 174.91 1q86 s ARG 87 N -5.65 1.49 -0.42 2.90 1.70 0.47 -4.70 118.95 114.74 1q86 s ARG 87 Ca 0.67 1.04 -0.19 0.00 -0.47 0.00 0.00 55.73 56.78 1q86 s ARG 87 Cb -0.08 -1.82 0.02 0.00 -0.57 0.00 0.00 34.95 32.50 1q86 s ARG 87 CO 0.50 -2.14 0.53 0.45 -1.08 0.00 0.00 175.30 173.56 1q86 s SER 88 N -3.28 6.26 0.16 -2.89 0.15 -1.26 -3.93 113.70 108.92 1q86 s SER 88 Ca 0.63 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.53 1q86 s SER 88 Cb -0.19 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1q86 s SER 88 CO 0.57 -0.65 1.54 0.00 1.20 0.00 0.00 173.24 175.90 1q86 n ALA 89 N 5.89 -0.60 -3.65 5.45 0.00 -1.26 -3.74 120.51 122.61 1q86 n ALA 89 Ca -0.05 0.86 -0.29 0.00 0.00 0.00 0.00 53.44 53.96 1q86 n ALA 89 Cb 0.48 -0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.64 1q86 n ALA 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1q86 s HIS 90 N -5.53 1.65 0.55 0.00 3.76 -1.26 -5.13 115.29 109.34 1q86 s HIS 90 Ca -0.12 -2.21 0.09 0.00 -0.15 0.00 0.00 55.06 52.67 1q86 s HIS 90 Cb 0.12 -1.64 0.07 0.00 1.11 0.00 0.00 32.58 32.24 1q86 s HIS 90 CO 0.63 -0.80 0.73 -1.25 -0.85 0.00 0.00 174.74 173.20 1q86 s PRO 91 N 0.54 2.36 0.56 8.40 0.04 -1.24 -5.07 135.00 140.59 1q86 s PRO 91 Ca 0.18 -1.63 -0.21 0.00 0.04 0.00 0.00 61.00 59.37 1q86 s PRO 91 Cb -0.24 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1q86 s PRO 91 CO 0.00 -0.77 1.35 -2.30 0.04 0.00 0.00 177.00 175.33 1q86 n PRO 92 N -2.15 1.62 -4.25 0.56 -0.02 -1.26 -4.94 135.00 124.57 1q86 n PRO 92 Ca 0.13 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1q86 n PRO 92 Cb 0.62 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 1q86 n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1q86 s LYS 93 N -2.95 1.05 0.28 -0.52 1.02 -1.25 -3.16 119.74 114.20 1q86 s LYS 93 Ca 0.73 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.56 1q86 s LYS 93 Cb -0.41 -1.00 0.62 0.00 -0.52 0.00 0.00 37.83 36.53 1q86 s LYS 93 CO 0.48 -0.07 1.75 1.15 -0.92 0.00 0.00 175.35 177.75 1q86 h THR 94 N 6.10 0.67 -0.09 2.17 2.02 -1.50 -1.76 112.91 120.53 1q86 h THR 94 Ca -0.35 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1q86 h THR 94 Cb 1.16 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1q86 h THR 94 CO 0.46 0.11 0.10 -0.33 0.37 0.00 0.00 175.52 176.24 1q86 h GLU 95 N 0.61 0.00 -6.89 6.66 3.07 -1.95 -3.44 114.58 112.63 1q86 h GLU 95 Ca 0.51 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.83 1q86 h GLU 95 Cb 0.80 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.81 1q86 h GLU 95 CO -0.40 0.00 0.81 1.17 -1.40 0.00 0.00 179.01 179.19 1q86 n LYS 96 N -3.83 2.69 -3.02 2.33 4.81 -0.66 -4.94 118.16 115.54 1q86 n LYS 96 Ca -0.01 0.95 -0.43 0.00 -0.87 0.00 0.00 58.31 57.95 1q86 n LYS 96 Cb 0.20 -2.70 -0.05 0.00 0.02 0.00 0.00 35.03 32.50 1q86 n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1q86 s ASP 97 N 0.07 6.30 -0.21 3.14 3.68 -1.26 -4.90 116.67 123.48 1q86 s ASP 97 Ca 0.57 -0.56 0.13 0.00 2.13 0.00 0.00 52.55 54.82 1q86 s ASP 97 Cb -0.48 -2.36 0.76 0.00 -1.45 0.00 0.00 42.92 39.39 1q86 s ASP 97 CO 0.59 -1.00 1.65 0.54 0.13 0.00 0.00 175.17 177.08 1q86 n ARG 98 N 6.70 4.52 -3.98 4.34 1.74 -1.26 -4.95 116.66 123.78 1q86 n ARG 98 Ca -0.02 -2.90 -0.22 0.00 -0.77 0.00 0.00 57.85 53.93 1q86 n ARG 98 Cb 0.47 -2.18 -0.02 0.00 -1.02 0.00 0.00 32.46 29.70 1q86 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q86 s SER 99 N -0.74 6.26 -0.07 0.55 1.04 -1.26 -4.52 113.70 114.96 1q86 s SER 99 Ca 0.50 0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.03 1q86 s SER 99 Cb 0.38 -1.84 0.01 0.00 0.10 0.00 0.00 66.02 64.67 1q86 s SER 99 CO 0.16 -0.04 -0.14 -0.76 0.98 0.00 0.00 173.24 173.43 1q86 s LEU 100 N -3.81 1.73 0.73 2.42 1.43 -1.26 -5.00 118.68 114.92 1q86 s LEU 100 Ca 0.34 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1q86 s LEU 100 Cb -0.09 -0.94 0.07 0.00 0.03 0.00 0.00 46.19 45.25 1q86 s LEU 100 CO 0.29 0.06 1.06 -1.81 0.23 0.00 0.00 176.35 176.17 1q86 s ASP 101 N 0.61 4.73 -0.30 2.29 1.11 -1.26 -4.88 116.67 118.97 1q86 s ASP 101 Ca -0.15 0.54 -0.15 0.00 0.18 0.00 0.00 52.55 52.97 1q86 s ASP 101 Cb -0.16 -1.15 0.16 0.00 1.07 0.00 0.00 42.92 42.84 1q86 s ASP 101 CO 0.05 -1.68 0.99 -0.22 1.18 0.00 0.00 175.17 175.49 1q86 s LEU 102 N -5.33 -0.56 0.31 1.23 2.96 -1.26 -4.99 118.68 111.04 1q86 s LEU 102 Ca 0.61 0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.01 1q86 s LEU 102 Cb -0.11 1.66 -0.12 0.00 0.50 0.00 0.00 46.19 48.12 1q86 s LEU 102 CO 0.46 -0.11 1.44 0.59 -1.32 0.00 0.00 176.35 177.41 1q86 n ASN 103 N 4.73 3.26 -0.28 3.68 4.13 -1.26 -4.80 115.26 124.72 1q86 n ASN 103 Ca -0.11 1.18 0.02 0.00 1.68 0.00 0.00 54.58 57.35 1q86 n ASN 103 Cb 0.53 -1.53 0.15 0.00 -1.54 0.00 0.00 39.78 37.40 1q86 n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1q86 h ASP 104 N 3.69 0.66 -0.90 6.41 3.32 -2.01 0.15 116.42 127.74 1q86 h ASP 104 Ca -0.47 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1q86 h ASP 104 Cb 1.26 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1q86 h ASP 104 CO 0.71 0.39 0.58 0.11 -1.72 0.00 0.00 179.24 179.32 1q86 h LYS 105 N 0.79 1.20 -0.38 3.56 1.57 -1.98 0.70 116.57 122.02 1q86 h LYS 105 Ca 0.37 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1q86 h LYS 105 Cb 0.30 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1q86 h LYS 105 CO -0.23 0.81 -0.36 1.49 -0.57 0.00 0.00 179.45 180.59 1q86 h GLU 106 N 1.23 0.91 -0.21 3.15 4.81 -1.66 -1.68 114.58 121.13 1q86 h GLU 106 Ca 0.33 -0.46 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 1q86 h GLU 106 Cb -0.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1q86 h GLU 106 CO -0.07 1.11 -0.54 -0.09 -0.73 0.00 0.00 179.01 178.70 1q86 h ARG 107 N 0.75 0.73 -0.59 1.92 2.43 -0.01 -2.30 114.38 117.30 1q86 h ARG 107 Ca 0.07 -0.51 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1q86 h ARG 107 Cb 0.94 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1q86 h ARG 107 CO 0.09 1.13 0.04 1.96 -1.51 0.00 0.00 179.97 181.67 1q86 h GLN 108 N 0.44 1.02 -0.01 0.20 4.20 0.38 -1.38 115.11 119.96 1q86 h GLN 108 Ca -0.01 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1q86 h GLN 108 Cb 1.15 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1q86 h GLN 108 CO 0.12 0.99 -0.10 1.25 -0.67 0.00 0.00 178.83 180.42 1q86 h LEU 109 N 0.92 0.01 -0.44 1.46 5.85 -1.29 -0.99 115.31 120.83 1q86 h LEU 109 Ca 0.17 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 1q86 h LEU 109 Cb 0.51 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1q86 h LEU 109 CO 0.02 0.11 -0.74 0.00 -0.34 0.00 0.00 178.44 177.50 1q86 h ALA 110 N 1.89 0.64 -0.35 1.25 0.00 -0.76 -2.05 119.26 119.88 1q86 h ALA 110 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1q86 h ALA 110 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1q86 h ALA 110 CO 0.01 0.79 -0.05 0.28 0.00 0.00 0.00 179.25 180.29 1q86 h VAL 111 N 0.20 1.27 -0.56 0.00 2.07 -0.17 -2.04 116.25 117.02 1q86 h VAL 111 Ca -0.03 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1q86 h VAL 111 Cb 1.31 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1q86 h VAL 111 CO 0.12 0.36 0.18 0.03 0.02 0.00 0.00 177.57 178.27 1q86 h ARG 112 N 0.45 0.86 -0.39 1.57 3.08 -1.23 -1.61 114.38 117.11 1q86 h ARG 112 Ca 0.09 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1q86 h ARG 112 Cb 0.54 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1q86 h ARG 112 CO 0.03 0.78 -0.14 1.03 -1.07 0.00 0.00 179.97 180.60 1q86 h SER 113 N 0.77 0.71 0.07 7.04 0.87 -1.32 -1.36 113.55 120.33 1q86 h SER 113 Ca 0.18 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 1q86 h SER 113 Cb 0.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1q86 h SER 113 CO -0.01 0.86 -0.32 0.00 -0.53 0.00 0.00 176.83 176.84 1q86 h ALA 114 N 1.20 1.12 0.42 6.23 0.00 -1.16 -0.20 119.26 126.87 1q86 h ALA 114 Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1q86 h ALA 114 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1q86 h ALA 114 CO 0.04 0.56 -0.20 1.25 0.00 0.00 0.00 179.25 180.90 1q86 h LEU 115 N 0.32 -0.48 -0.48 0.00 5.85 -0.72 -2.94 115.31 116.86 1q86 h LEU 115 Ca 0.04 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1q86 h LEU 115 Cb 0.72 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1q86 h LEU 115 CO 0.06 -0.31 0.08 0.00 -0.34 0.00 0.00 178.44 177.92 1q86 h ALA 116 N -0.03 0.52 -0.13 1.25 0.00 -0.88 0.45 119.26 120.43 1q86 h ALA 116 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1q86 h ALA 116 Cb 0.46 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1q86 h ALA 116 CO 0.10 -0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.35 1q86 h ALA 117 N 1.39 1.59 -0.08 0.00 0.00 -0.87 0.04 119.26 121.32 1q86 h ALA 117 Ca 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1q86 h ALA 117 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1q86 h ALA 117 CO -0.33 -0.40 -0.33 1.15 0.00 0.00 0.00 179.25 179.33 1q86 h THR 118 N 0.00 1.27 -0.13 0.00 2.02 -0.76 -3.13 112.91 112.17 1q86 h THR 118 Ca 0.06 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1q86 h THR 118 Cb 0.73 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1q86 h THR 118 CO -0.00 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.27 1q86 n ALA 119 N -2.48 2.53 -3.55 6.16 0.00 0.00 -3.46 120.51 119.70 1q86 n ALA 119 Ca -0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1q86 n ALA 119 Cb 0.41 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 1q86 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1q86 s ASP 120 N -1.35 5.75 0.49 0.00 -1.08 -1.18 -4.64 116.67 114.66 1q86 s ASP 120 Ca 0.23 -2.15 0.33 0.00 -0.52 0.00 0.00 52.55 50.44 1q86 s ASP 120 Cb 0.12 -2.01 1.45 0.00 -1.46 0.00 0.00 42.92 41.01 1q86 s ASP 120 CO 0.18 -0.63 1.73 0.00 0.52 0.00 0.00 175.17 176.97 1q86 h ALA 121 N 8.16 2.94 -0.08 3.66 0.00 -1.84 -0.52 119.26 131.57 1q86 h ALA 121 Ca -0.14 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1q86 h ALA 121 Cb 1.05 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1q86 h ALA 121 CO 0.83 -1.37 -0.50 -0.44 0.00 0.00 0.00 179.25 177.76 1q86 h ASP 122 N 0.11 0.58 0.23 0.00 3.32 -1.94 -2.79 116.42 115.94 1q86 h ASP 122 Ca 0.67 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1q86 h ASP 122 Cb 2.33 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.69 1q86 h ASP 122 CO -0.15 1.15 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.23 1q86 h LEU 123 N 0.06 -0.58 -1.84 1.55 3.38 -1.43 -1.17 115.31 115.28 1q86 h LEU 123 Ca -0.04 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.21 1q86 h LEU 123 Cb 1.16 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1q86 h LEU 123 CO 0.10 -0.32 0.58 0.58 0.09 0.00 0.00 178.44 179.47 1q86 h VAL 124 N -0.48 0.62 0.15 1.22 2.07 -1.49 0.28 116.25 118.63 1q86 h VAL 124 Ca -0.01 -0.04 -0.29 0.00 0.82 0.00 0.00 66.70 67.18 1q86 h VAL 124 Cb 0.44 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1q86 h VAL 124 CO -0.04 0.02 -1.28 0.00 0.02 0.00 0.00 177.57 176.29 1q86 h ALA 125 N 1.60 0.02 -0.25 1.67 0.00 -1.10 -3.09 119.26 118.11 1q86 h ALA 125 Ca 0.41 -0.83 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1q86 h ALA 125 Cb 1.42 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1q86 h ALA 125 CO -0.06 0.80 -0.08 -0.44 0.00 0.00 0.00 179.25 179.47 1q86 h ASP 126 N 0.17 0.51 0.00 0.00 3.32 0.34 -2.04 116.42 118.72 1q86 h ASP 126 Ca -0.18 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1q86 h ASP 126 Cb 1.97 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.38 1q86 h ASP 126 CO 0.23 0.78 0.46 -0.09 -1.72 0.00 0.00 179.24 178.89 1q86 h ARG 127 N 0.24 0.00 0.00 3.56 2.43 -0.66 -3.44 114.38 116.51 1q86 h ARG 127 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1q86 h ARG 127 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1q86 h ARG 127 CO 0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.90 1q86 n GLY 128 N -1.28 2.04 3.70 2.80 0.00 -0.76 -5.10 105.19 106.58 1q86 n GLY 128 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1q86 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q86 n HIS 129 N -0.30 2.06 -3.68 1.61 8.25 -1.17 -4.99 115.22 117.01 1q86 n HIS 129 Ca 0.00 0.49 -0.37 0.00 -0.26 0.00 0.00 57.72 57.58 1q86 n HIS 129 Cb 0.00 -2.36 -0.12 0.00 1.12 0.00 0.00 29.99 28.63 1q86 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1q86 s GLU 130 N -2.31 3.83 -0.06 -0.41 0.41 -1.26 -4.66 118.70 114.25 1q86 s GLU 130 Ca 0.63 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 54.51 1q86 s GLU 130 Cb -0.49 -3.49 0.11 0.00 -1.78 0.00 0.00 34.13 28.47 1q86 s GLU 130 CO 0.56 -0.15 0.94 -0.59 -0.49 0.00 0.00 175.26 175.53 1q86 s PHE 131 N 1.60 -0.33 -0.61 1.61 -0.12 -1.26 -1.02 117.98 117.85 1q86 s PHE 131 Ca 0.07 0.29 0.06 0.00 -0.05 0.00 0.00 56.93 57.30 1q86 s PHE 131 Cb -0.15 0.52 0.21 0.00 -0.63 0.00 0.00 43.02 42.97 1q86 s PHE 131 CO 0.07 -0.47 0.58 -0.25 -0.05 0.00 0.00 175.22 175.10 1q86 n ASP 132 N -0.02 2.56 -3.90 1.98 8.00 -0.41 -5.04 116.55 119.72 1q86 n ASP 132 Ca -0.08 -3.14 -0.09 0.00 0.71 0.00 0.00 54.79 52.18 1q86 n ASP 132 Cb 0.61 -0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 1q86 n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q86 s ARG 133 N -1.67 1.03 -0.13 -1.24 3.52 -1.26 -4.76 118.95 114.44 1q86 s ARG 133 Ca 0.33 -1.06 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 1q86 s ARG 133 Cb 0.07 0.37 -0.07 0.00 -1.56 0.00 0.00 34.95 33.76 1q86 s ARG 133 CO -0.10 -0.36 -0.13 -0.25 -0.81 0.00 0.00 175.30 173.65 1q86 n ASP 134 N -0.16 2.42 -4.83 -2.12 8.00 -1.26 -4.99 116.55 113.61 1q86 n ASP 134 Ca -0.11 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.07 1q86 n ASP 134 Cb 0.63 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 1q86 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q86 s GLU 135 N -2.25 4.08 -0.29 -1.24 2.02 -1.26 -4.68 118.70 115.08 1q86 s GLU 135 Ca -0.17 1.00 -0.25 0.00 0.02 0.00 0.00 54.97 55.57 1q86 s GLU 135 Cb 0.05 -2.18 0.17 0.00 0.10 0.00 0.00 34.13 32.27 1q86 s GLU 135 CO 0.27 -0.13 1.29 0.54 0.02 0.00 0.00 175.26 177.25 1q86 s VAL 136 N -2.38 0.00 1.41 2.63 0.11 -1.26 -4.72 120.40 116.19 1q86 s VAL 136 Ca 0.60 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.43 1q86 s VAL 136 Cb -0.10 -1.00 0.36 0.00 -1.53 0.00 0.00 36.38 34.12 1q86 s VAL 136 CO 0.22 0.00 0.89 -0.81 -3.33 0.00 0.00 175.10 172.07 1q86 n PRO 137 N 1.79 -4.34 -3.61 1.54 -0.04 -1.22 -4.18 135.00 124.94 1q86 n PRO 137 Ca -0.11 -1.28 -0.38 0.00 -0.04 0.00 0.00 63.50 61.69 1q86 n PRO 137 Cb 0.57 -1.97 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 1q86 n PRO 137 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q86 s VAL 138 N -2.18 5.15 -0.10 0.52 1.01 -1.16 -4.97 120.40 118.69 1q86 s VAL 138 Ca 0.67 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 1q86 s VAL 138 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1q86 s VAL 138 CO 0.59 0.23 0.05 -0.69 0.00 0.00 0.00 175.10 175.28 1q86 s VAL 139 N 1.73 4.74 0.05 2.92 1.01 -1.26 -0.58 120.40 129.02 1q86 s VAL 139 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1q86 s VAL 139 Cb -0.16 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1q86 s VAL 139 CO 0.10 0.61 -0.07 -0.69 0.00 0.00 0.00 175.10 175.05 1q86 s VAL 140 N -0.91 0.52 0.57 2.92 1.01 -1.00 -2.25 120.40 121.27 1q86 s VAL 140 Ca 0.14 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 1q86 s VAL 140 Cb -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1q86 s VAL 140 CO 0.03 -0.54 1.24 -1.54 0.00 0.00 0.00 175.10 174.28 1q86 n SER 141 N 1.05 2.05 0.00 3.32 3.41 -0.11 0.40 113.62 123.73 1q86 n SER 141 Ca -0.20 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1q86 n SER 141 Cb 0.56 -1.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1q86 n SER 141 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1q86 n ASP 142 N -1.03 0.00 0.00 4.04 8.00 -1.26 -1.65 116.55 124.65 1q86 n ASP 142 Ca 0.12 0.22 0.07 0.00 0.71 0.00 0.00 54.79 55.91 1q86 n ASP 142 Cb 0.45 -0.22 0.31 0.00 -0.02 0.00 0.00 41.12 41.63 1q86 n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1q86 n ASP 143 N -1.22 0.00 -0.19 -2.24 8.00 -1.26 -2.19 116.55 117.44 1q86 n ASP 143 Ca 0.00 0.41 -0.10 0.00 0.71 0.00 0.00 54.79 55.81 1q86 n ASP 143 Cb 0.00 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.67 1q86 n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1q86 h PHE 144 N 0.00 1.09 0.00 1.24 3.57 -1.66 -2.71 116.94 118.47 1q86 h PHE 144 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1q86 h PHE 144 Cb 0.21 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1q86 h PHE 144 CO 0.00 0.99 0.00 0.39 -2.23 0.00 0.00 178.31 177.46 1q86 n GLU 145 N -4.23 0.06 -0.00 1.11 1.02 -0.93 -1.62 120.64 116.04 1q86 n GLU 145 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1q86 n GLU 145 Cb 0.35 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 1q86 n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q86 n ASP 146 N -0.94 1.08 -4.65 1.62 8.00 -1.02 -5.00 116.55 115.64 1q86 n ASP 146 Ca 0.01 -0.53 -0.33 0.00 0.71 0.00 0.00 54.79 54.64 1q86 n ASP 146 Cb 0.01 1.16 0.13 0.00 -0.02 0.00 0.00 41.12 42.39 1q86 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1q86 n LEU 147 N -1.45 3.56 0.00 0.64 4.77 -0.64 -4.95 117.00 118.94 1q86 n LEU 147 Ca 0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1q86 n LEU 147 Cb 0.21 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1q86 n LEU 147 CO 0.23 -2.05 -0.26 0.52 -1.33 0.00 0.00 177.39 174.50 1q86 n VAL 148 N -3.40 0.00 -3.31 4.08 0.31 -1.26 -4.60 118.33 110.15 1q86 n VAL 148 Ca 0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.09 1q86 n VAL 148 Cb 0.51 -0.43 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 1q86 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1q86 s LYS 149 N -1.52 4.08 -0.00 5.55 -0.14 -1.26 -4.45 119.74 122.00 1q86 s LYS 149 Ca 0.00 0.61 -0.25 0.00 -1.36 0.00 0.00 55.97 54.97 1q86 s LYS 149 Cb 0.00 -3.04 -0.19 0.00 -1.68 0.00 0.00 37.83 32.92 1q86 s LYS 149 CO 0.00 0.53 1.33 1.15 -0.76 0.00 0.00 175.35 177.60 1q86 h THR 150 N 3.08 1.34 -1.09 2.17 2.02 -1.92 -3.04 112.91 115.48 1q86 h THR 150 Ca -0.49 -1.04 0.35 0.00 0.77 0.00 0.00 66.41 66.00 1q86 h THR 150 Cb 1.20 2.01 -0.14 0.00 -1.74 0.00 0.00 68.15 69.48 1q86 h THR 150 CO 0.65 0.27 0.66 1.56 0.37 0.00 0.00 175.52 179.03 1q86 h GLN 151 N -0.38 0.24 -0.40 6.66 1.08 -1.93 0.53 115.11 120.90 1q86 h GLN 151 Ca 0.00 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 1q86 h GLN 151 Cb 0.45 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1q86 h GLN 151 CO 0.00 0.16 -0.13 0.93 -0.95 0.00 0.00 178.83 178.84 1q86 h GLU 152 N 0.25 0.80 0.00 1.46 5.08 -1.91 -2.34 114.58 117.91 1q86 h GLU 152 Ca 0.75 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1q86 h GLU 152 Cb 1.94 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 1q86 h GLU 152 CO -0.53 0.94 -0.05 0.28 -1.00 0.00 0.00 179.01 178.65 1q86 h VAL 153 N 0.61 0.43 0.21 3.13 2.07 0.04 -2.18 116.25 120.57 1q86 h VAL 153 Ca 0.10 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1q86 h VAL 153 Cb 0.67 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1q86 h VAL 153 CO 0.05 0.05 -0.10 0.58 0.02 0.00 0.00 177.57 178.17 1q86 h VAL 154 N 0.00 0.86 0.16 2.57 2.07 -0.77 -2.03 116.25 119.11 1q86 h VAL 154 Ca -0.00 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1q86 h VAL 154 Cb 0.18 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1q86 h VAL 154 CO 0.01 0.15 -0.46 0.28 0.02 0.00 0.00 177.57 177.57 1q86 h SER 155 N -0.67 -1.35 -0.96 0.57 0.02 -1.08 0.28 113.55 110.37 1q86 h SER 155 Ca -0.03 0.14 0.30 0.00 -0.84 0.00 0.00 61.79 61.36 1q86 h SER 155 Cb 0.47 0.49 -0.17 0.00 0.14 0.00 0.00 62.40 63.34 1q86 h SER 155 CO 0.05 -0.50 0.29 0.25 -1.14 0.00 0.00 176.83 175.78 1q86 h LEU 156 N -0.69 -0.01 -0.56 5.07 5.85 -1.46 0.82 115.31 124.33 1q86 h LEU 156 Ca -0.01 0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 1q86 h LEU 156 Cb 0.67 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1q86 h LEU 156 CO -0.22 -0.29 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.14 1q86 h LEU 157 N 0.11 0.78 -1.17 2.25 3.38 -0.42 -0.74 115.31 119.48 1q86 h LEU 157 Ca 0.67 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1q86 h LEU 157 Cb 1.51 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1q86 h LEU 157 CO -0.76 1.07 -0.30 -0.33 0.09 0.00 0.00 178.44 178.21 1q86 h GLU 158 N 0.60 0.19 -0.05 1.13 5.08 0.40 -1.37 114.58 120.56 1q86 h GLU 158 Ca 0.05 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1q86 h GLU 158 Cb 0.92 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1q86 h GLU 158 CO 0.08 0.48 -0.60 0.00 -1.00 0.00 0.00 179.01 177.97 1q86 h ALA 159 N 1.53 0.90 -0.36 3.43 0.00 0.24 -2.73 119.26 122.27 1q86 h ALA 159 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1q86 h ALA 159 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q86 h ALA 159 CO 0.04 0.73 0.00 1.28 0.00 0.00 0.00 179.25 181.31 1q86 n LEU 160 N -3.86 1.96 -2.51 0.00 4.77 -0.33 -4.90 117.00 112.13 1q86 n LEU 160 Ca -0.02 -0.97 -0.18 0.00 -0.03 0.00 0.00 56.01 54.81 1q86 n LEU 160 Cb 0.61 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1q86 n LEU 160 CO 0.44 0.49 -0.20 0.47 -1.33 0.00 0.00 177.39 177.26 1q86 n ASP 161 N 0.57 -5.14 -0.05 -1.43 8.00 -0.87 -4.82 116.55 112.81 1q86 n ASP 161 Ca 0.12 0.02 0.02 0.00 0.71 0.00 0.00 54.79 55.67 1q86 n ASP 161 Cb 0.31 -4.29 -0.02 0.00 -0.02 0.00 0.00 41.12 37.11 1q86 n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1q86 n VAL 162 N -3.83 0.00 0.19 2.53 0.31 -0.58 -1.28 118.33 115.66 1q86 n VAL 162 Ca -0.19 -0.41 0.12 0.00 -0.01 0.00 0.00 64.34 63.85 1q86 n VAL 162 Cb 0.65 1.03 0.68 0.00 -0.91 0.00 0.00 33.84 35.29 1q86 n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1q86 h HIS 163 N 0.27 0.00 -0.96 3.52 6.17 -1.80 -2.62 115.15 119.73 1q86 h HIS 163 Ca 0.00 0.00 0.26 0.00 0.71 0.00 0.00 60.37 61.34 1q86 h HIS 163 Cb 0.15 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.02 1q86 h HIS 163 CO 0.00 0.00 0.66 0.00 0.71 0.00 0.00 177.93 179.30 1q86 h ALA 164 N 1.91 2.62 -0.47 5.26 0.00 -1.83 0.88 119.26 127.63 1q86 h ALA 164 Ca 0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1q86 h ALA 164 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1q86 h ALA 164 CO -0.00 -0.92 -0.01 0.22 0.00 0.00 0.00 179.25 178.54 1q86 h ASP 165 N 0.17 0.75 1.03 0.00 3.58 -0.67 -1.62 116.42 119.65 1q86 h ASP 165 Ca 0.48 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 1q86 h ASP 165 Cb 1.62 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 1q86 h ASP 165 CO -0.10 0.82 -0.21 0.40 -2.88 0.00 0.00 179.24 177.27 1q86 h ILE 166 N 0.73 0.50 -0.08 2.25 2.04 -1.01 -1.63 117.51 120.30 1q86 h ILE 166 Ca 0.14 -1.14 -0.15 0.00 1.00 0.00 0.00 64.86 64.71 1q86 h ILE 166 Cb 0.45 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1q86 h ILE 166 CO 0.02 0.21 -0.60 0.44 0.00 0.00 0.00 178.15 178.22 1q86 h ASP 167 N 0.00 0.29 0.04 1.72 3.45 -0.99 -2.47 116.42 118.46 1q86 h ASP 167 Ca -0.00 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 1q86 h ASP 167 Cb 0.79 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1q86 h ASP 167 CO 0.03 0.83 -0.02 -0.09 -1.57 0.00 0.00 179.24 178.41 1q86 h ARG 168 N 0.19 -0.05 0.00 3.56 2.43 -0.52 -2.91 114.38 117.09 1q86 h ARG 168 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q86 h ARG 168 Cb 1.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1q86 h ARG 168 CO 0.09 0.20 0.00 0.00 -1.51 0.00 0.00 179.97 178.76 1q86 n ALA 169 N -2.25 2.36 -1.30 2.80 0.00 -0.75 -3.99 120.51 117.38 1q86 n ALA 169 Ca -0.08 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 1q86 n ALA 169 Cb 0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1q86 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1q86 n ASP 170 N -0.86 6.65 -3.37 0.00 4.64 -0.94 -4.28 116.55 118.39 1q86 n ASP 170 Ca 0.13 -3.25 -0.11 0.00 -1.38 0.00 0.00 54.79 50.18 1q86 n ASP 170 Cb 0.06 -1.14 -0.08 0.00 -1.04 0.00 0.00 41.12 38.91 1q86 n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1q86 s GLU 171 N -2.08 0.33 0.38 -0.67 2.02 -1.26 -5.06 118.70 112.38 1q86 s GLU 171 Ca 0.50 0.37 -0.23 0.00 0.02 0.00 0.00 54.97 55.63 1q86 s GLU 171 Cb 0.35 -0.57 -0.10 0.00 0.10 0.00 0.00 34.13 33.91 1q86 s GLU 171 CO -0.14 -0.73 0.94 0.95 0.02 0.00 0.00 175.26 176.29 1q86 s THR 172 N 2.50 4.33 -0.17 3.63 -4.23 -1.26 -4.56 115.64 115.88 1q86 s THR 172 Ca 0.11 1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 62.20 1q86 s THR 172 Cb -0.15 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 1q86 s THR 172 CO -0.19 -0.13 -0.03 -0.75 -0.54 0.00 0.00 174.62 172.99 1q86 s LYS 173 N -2.71 3.66 -0.56 3.99 2.20 0.11 -4.95 119.74 121.47 1q86 s LYS 173 Ca 0.57 -0.52 -0.19 0.00 -0.36 0.00 0.00 55.97 55.46 1q86 s LYS 173 Cb -0.13 -2.95 0.08 0.00 -1.51 0.00 0.00 37.83 33.32 1q86 s LYS 173 CO 0.17 0.19 0.70 0.42 -0.36 0.00 0.00 175.35 176.47 1q86 s ILE 174 N 0.51 4.79 0.68 5.43 1.01 -1.26 -1.70 121.20 130.66 1q86 s ILE 174 Ca -0.03 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 1q86 s ILE 174 Cb -0.14 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 1q86 s ILE 174 CO 0.03 -1.03 0.63 0.29 0.00 0.00 0.00 174.94 174.85 1q86 n LYS 175 N 6.42 0.42 -3.39 2.79 5.02 -0.60 -5.01 118.16 123.82 1q86 n LYS 175 Ca -0.08 0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 1q86 n LYS 175 Cb 0.44 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1q86 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q86 s ALA 176 N -1.82 3.61 0.00 7.82 0.00 -1.26 -4.92 121.76 125.19 1q86 s ALA 176 Ca 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1q86 s ALA 176 Cb -0.37 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1q86 s ALA 176 CO 0.55 0.35 0.00 0.41 0.00 0.00 0.00 175.76 177.07 1q86 n GLY 177 N 2.12 2.03 0.00 0.00 0.00 -1.26 -4.75 105.19 103.33 1q86 n GLY 177 Ca -0.11 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 43.98 1q86 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q86 n GLN 178 N 1.05 0.50 -0.14 1.61 6.02 -1.26 -3.25 117.38 121.91 1q86 n GLN 178 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.21 1q86 n GLN 178 Cb 0.00 -1.46 0.64 0.00 1.02 0.00 0.00 30.24 30.44 1q86 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1q86 h GLY 179 N 2.55 0.30 -0.03 1.08 0.00 -1.87 0.23 103.07 105.33 1q86 h GLY 179 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1q86 h GLY 179 CO 0.00 0.01 -0.36 0.23 0.00 0.00 0.00 176.54 176.42 1q86 h SER 180 N 0.15 -1.14 0.00 0.19 0.87 -1.69 0.64 113.55 112.57 1q86 h SER 180 Ca 0.38 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1q86 h SER 180 Cb 1.28 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1q86 h SER 180 CO -0.06 -0.36 0.00 0.00 -0.53 0.00 0.00 176.83 175.88 1q86 n ALA 181 N -2.94 1.33 -0.14 6.23 0.00 0.07 -0.56 120.51 124.51 1q86 n ALA 181 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1q86 n ALA 181 Cb 0.34 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.86 1q86 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q86 n ARG 182 N -1.12 2.84 -0.31 0.00 1.74 0.13 -4.97 116.66 114.96 1q86 n ARG 182 Ca 0.00 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 1q86 n ARG 182 Cb 0.00 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1q86 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 183 N -0.41 0.84 2.26 -0.13 0.00 0.28 -4.97 105.19 103.06 1q86 n GLY 183 Ca 0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1q86 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q86 n ARG 184 N -2.31 3.24 -0.17 1.61 1.74 -0.65 -4.79 116.66 115.33 1q86 n ARG 184 Ca 0.00 -3.90 -0.05 0.00 -0.77 0.00 0.00 57.85 53.14 1q86 n ARG 184 Cb 0.00 -2.28 0.05 0.00 -1.02 0.00 0.00 32.46 29.21 1q86 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1q86 h LYS 185 N 2.26 0.53 -6.18 5.56 3.64 -1.75 -3.35 116.57 117.28 1q86 h LYS 185 Ca 0.45 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 59.29 1q86 h LYS 185 Cb 1.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1q86 h LYS 185 CO 1.09 0.35 -0.33 0.71 -2.27 0.00 0.00 179.45 179.00 1q86 s TYR 186 N -6.13 2.37 -0.15 1.91 1.51 -1.26 -1.55 117.35 114.05 1q86 s TYR 186 Ca -0.13 -0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 55.05 1q86 s TYR 186 Cb 0.14 -2.13 0.12 0.00 -0.11 0.00 0.00 41.96 39.98 1q86 s TYR 186 CO 0.74 -0.30 0.95 -0.98 -1.11 0.00 0.00 175.55 174.85 1q86 s ARG 187 N -4.22 0.66 0.06 -0.62 1.04 -0.69 -4.88 118.95 110.30 1q86 s ARG 187 Ca 0.47 0.16 -0.10 0.00 -1.04 0.00 0.00 55.73 55.22 1q86 s ARG 187 Cb -0.03 0.31 0.00 0.00 -2.04 0.00 0.00 34.95 33.19 1q86 s ARG 187 CO 0.28 -0.20 0.21 -0.98 -0.04 0.00 0.00 175.30 174.57 1q86 s ARG 188 N -1.12 0.78 0.39 3.89 1.70 -1.26 0.08 118.95 123.41 1q86 s ARG 188 Ca -0.03 -0.75 -0.27 0.00 -0.47 0.00 0.00 55.73 54.20 1q86 s ARG 188 Cb -0.00 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.59 1q86 s ARG 188 CO 0.03 -0.24 1.46 -2.30 -1.08 0.00 0.00 175.30 173.17 1q86 n PRO 189 N 0.33 2.56 -2.82 3.89 -0.02 -1.26 -4.98 135.00 132.70 1q86 n PRO 189 Ca -0.17 0.90 -0.38 0.00 -2.02 0.00 0.00 63.50 61.83 1q86 n PRO 189 Cb 0.61 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1q86 n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q86 s ALA 190 N -1.13 3.28 0.00 3.55 0.00 -1.26 -4.38 121.76 121.81 1q86 s ALA 190 Ca 0.55 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1q86 s ALA 190 Cb -0.48 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1q86 s ALA 190 CO 0.62 0.21 0.00 -1.13 0.00 0.00 0.00 175.76 175.46 1q86 n SER 191 N 0.91 0.00 -4.77 0.00 3.41 0.94 -4.91 113.62 109.21 1q86 n SER 191 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1q86 n SER 191 Cb 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1q86 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1q86 s ILE 192 N 2.96 4.43 -0.24 -1.33 1.01 -1.26 -4.52 121.20 122.27 1q86 s ILE 192 Ca 0.00 1.73 -0.09 0.00 0.00 0.00 0.00 60.65 62.29 1q86 s ILE 192 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1q86 s ILE 192 CO 0.00 0.48 0.12 -0.22 0.00 0.00 0.00 174.94 175.32 1q86 s LEU 193 N -0.86 3.85 -0.36 2.97 2.96 -1.09 -1.84 118.68 124.32 1q86 s LEU 193 Ca 0.37 0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 54.16 1q86 s LEU 193 Cb -0.23 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1q86 s LEU 193 CO 0.26 0.05 0.22 -0.36 -1.32 0.00 0.00 176.35 175.20 1q86 s PHE 194 N 1.16 3.23 -0.30 5.38 0.40 0.05 -1.59 117.98 126.30 1q86 s PHE 194 Ca 0.06 -0.69 -0.09 0.00 -0.60 0.00 0.00 56.93 55.60 1q86 s PHE 194 Cb -0.14 -2.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.92 1q86 s PHE 194 CO 0.05 -0.55 0.14 0.08 0.70 0.00 0.00 175.22 175.63 1q86 s VAL 195 N 1.62 4.56 0.00 -0.44 1.01 -0.55 -0.94 120.40 125.66 1q86 s VAL 195 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1q86 s VAL 195 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1q86 s VAL 195 CO 0.08 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.62 1q86 n THR 196 N 4.97 0.00 0.00 3.92 -2.24 -0.60 -1.90 114.28 118.43 1q86 n THR 196 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1q86 n THR 196 Cb 0.49 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1q86 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q86 n SER 197 N 0.00 1.23 -0.01 3.42 2.88 -1.26 -1.93 113.62 117.95 1q86 n SER 197 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1q86 n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1q86 n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1q86 h ASP 198 N 0.00 0.34 -5.00 -3.46 3.32 -1.99 -3.44 116.42 106.19 1q86 h ASP 198 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 57.03 56.16 1q86 h ASP 198 Cb 0.38 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 39.63 1q86 h ASP 198 CO 0.00 1.70 0.16 -1.61 -1.72 0.00 0.00 179.24 177.77 1q86 s GLU 199 N -2.49 1.06 0.77 3.56 2.02 -1.26 -5.11 118.70 117.24 1q86 s GLU 199 Ca -0.22 0.14 -0.15 0.00 0.02 0.00 0.00 54.97 54.75 1q86 s GLU 199 Cb 0.06 0.50 -0.01 0.00 0.10 0.00 0.00 34.13 34.77 1q86 s GLU 199 CO 0.74 -0.35 0.58 -2.30 0.02 0.00 0.00 175.26 173.95 1q86 n PRO 200 N 0.78 0.21 -2.35 0.39 -0.02 -1.26 -4.78 135.00 127.97 1q86 n PRO 200 Ca -0.19 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1q86 n PRO 200 Cb 0.58 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1q86 n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q86 s SER 201 N -1.62 5.96 0.38 2.55 0.15 -1.26 -4.79 113.70 115.07 1q86 s SER 201 Ca 0.65 -1.38 0.16 0.00 0.70 0.00 0.00 55.95 56.09 1q86 s SER 201 Cb -0.32 -2.57 1.04 0.00 -1.71 0.00 0.00 66.02 62.46 1q86 s SER 201 CO 0.59 -2.03 1.78 0.74 1.20 0.00 0.00 173.24 175.52 1q86 h THR 202 N 6.70 0.56 0.00 6.45 2.02 -1.91 0.32 112.91 127.04 1q86 h THR 202 Ca 0.21 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1q86 h THR 202 Cb 0.98 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1q86 h THR 202 CO 1.34 0.08 -0.28 0.00 0.37 0.00 0.00 175.52 177.04 1q86 h ALA 203 N 1.63 1.08 0.00 6.16 0.00 -1.81 -3.32 119.26 123.00 1q86 h ALA 203 Ca 0.58 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.96 1q86 h ALA 203 Cb 1.38 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1q86 h ALA 203 CO -0.31 0.35 -2.10 0.00 0.00 0.00 0.00 179.25 177.19 1q86 n ALA 204 N -2.28 1.65 -0.32 0.00 0.00 0.81 -3.56 120.51 116.80 1q86 n ALA 204 Ca -0.01 -1.05 0.01 0.00 0.00 0.00 0.00 53.44 52.40 1q86 n ALA 204 Cb 0.43 -0.12 0.08 0.00 0.00 0.00 0.00 19.45 19.83 1q86 n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1q86 h ARG 205 N 0.00 -0.03 0.00 0.00 0.11 -0.80 0.70 114.38 114.36 1q86 h ARG 205 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1q86 h ARG 205 Cb 1.95 0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.03 1q86 h ARG 205 CO 0.02 -0.02 0.00 -1.71 0.10 0.00 0.00 179.97 178.37 1q86 n ASN 206 N -5.52 0.00 -4.74 0.08 5.15 -1.26 -4.61 115.26 104.36 1q86 n ASN 206 Ca 0.11 -0.62 -0.41 0.00 -0.60 0.00 0.00 54.58 53.05 1q86 n ASN 206 Cb 0.42 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.64 1q86 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q86 s LEU 207 N -1.53 4.44 -0.40 1.20 1.43 0.23 -4.89 118.68 119.17 1q86 s LEU 207 Ca 0.11 2.25 -0.41 0.00 -1.03 0.00 0.00 54.13 55.05 1q86 s LEU 207 Cb 0.05 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.50 1q86 s LEU 207 CO 0.08 -0.40 1.99 0.00 0.23 0.00 0.00 176.35 178.25 1q86 n ALA 208 N 2.60 0.19 -0.43 4.21 0.00 -1.26 0.52 120.51 126.33 1q86 n ALA 208 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1q86 n ALA 208 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1q86 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 209 N 5.93 2.11 3.79 0.00 0.00 -1.26 -4.64 105.19 111.12 1q86 n GLY 209 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 1q86 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 s ALA 210 N -3.42 2.75 -0.01 4.61 0.00 0.18 -0.04 121.76 125.83 1q86 s ALA 210 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 1q86 s ALA 210 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1q86 s ALA 210 CO 0.00 -0.69 0.03 -0.51 0.00 0.00 0.00 175.76 174.59 1q86 s ASP 211 N -2.36 -0.02 -0.05 0.00 1.01 -0.76 -4.83 116.67 109.66 1q86 s ASP 211 Ca 0.66 0.05 0.06 0.00 0.71 0.00 0.00 52.55 54.03 1q86 s ASP 211 Cb -0.18 0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.77 1q86 s ASP 211 CO 0.30 -0.02 -0.21 0.68 0.21 0.00 0.00 175.17 176.13 1q86 s VAL 212 N 0.14 2.43 0.22 -1.27 -7.23 -1.26 -0.77 120.40 112.66 1q86 s VAL 212 Ca -0.01 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1q86 s VAL 212 Cb -0.02 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1q86 s VAL 212 CO -0.00 0.58 0.19 0.00 -0.31 0.00 0.00 175.10 175.56 1q86 s ALA 213 N -0.45 0.99 0.02 1.32 0.00 -0.11 -4.89 121.76 118.63 1q86 s ALA 213 Ca 0.05 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.50 1q86 s ALA 213 Cb -0.12 1.34 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 1q86 s ALA 213 CO 0.01 -0.64 -0.24 0.99 0.00 0.00 0.00 175.76 175.88 1q86 s THR 214 N -4.09 2.25 0.38 0.00 2.01 -1.26 -1.56 115.64 113.37 1q86 s THR 214 Ca 0.37 -1.23 0.15 0.00 0.31 0.00 0.00 61.69 61.29 1q86 s THR 214 Cb 0.06 -1.85 0.37 0.00 0.01 0.00 0.00 72.50 71.08 1q86 s THR 214 CO 0.12 0.45 1.79 0.00 -0.69 0.00 0.00 174.62 176.29 1q86 h ALA 215 N 5.03 2.09 0.00 7.40 0.00 -1.67 0.27 119.26 132.38 1q86 h ALA 215 Ca -0.45 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1q86 h ALA 215 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1q86 h ALA 215 CO 0.46 -0.47 -0.00 0.66 0.00 0.00 0.00 179.25 179.90 1q86 h SER 216 N 0.48 0.00 0.00 0.00 4.64 -1.88 -3.34 113.55 113.45 1q86 h SER 216 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1q86 h SER 216 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1q86 h SER 216 CO -0.30 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 173.83 1q86 n GLU 217 N -3.10 0.31 -1.67 4.77 0.28 -0.87 -5.06 120.64 115.31 1q86 n GLU 217 Ca 0.02 -0.52 -0.44 0.00 -0.16 0.00 0.00 57.16 56.06 1q86 n GLU 217 Cb 0.37 -0.71 -0.02 0.00 1.43 0.00 0.00 31.44 32.52 1q86 n GLU 217 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1q86 n VAL 218 N -0.09 1.35 -4.07 3.84 3.14 0.03 -4.94 118.33 117.59 1q86 n VAL 218 Ca 0.00 -0.34 -0.05 0.00 -2.96 0.00 0.00 64.34 60.99 1q86 n VAL 218 Cb 0.26 -1.44 -0.01 0.00 -1.06 0.00 0.00 33.84 31.59 1q86 n VAL 218 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1q86 n ASN 219 N 1.66 2.14 -0.17 6.55 0.23 -1.26 -5.02 115.26 119.40 1q86 n ASN 219 Ca 0.09 -1.36 -0.03 0.00 -0.53 0.00 0.00 54.58 52.76 1q86 n ASN 219 Cb 0.33 0.05 0.19 0.00 -2.08 0.00 0.00 39.78 38.27 1q86 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1q86 h THR 220 N 0.99 1.22 0.33 5.53 2.02 -1.91 -1.96 112.91 119.14 1q86 h THR 220 Ca -0.07 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 1q86 h THR 220 Cb 0.21 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1q86 h THR 220 CO 0.11 0.29 -0.16 -0.33 0.37 0.00 0.00 175.52 175.80 1q86 h GLU 221 N 0.89 -0.43 -0.51 6.66 5.08 -1.92 0.94 114.58 125.28 1q86 h GLU 221 Ca 0.21 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1q86 h GLU 221 Cb 0.21 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1q86 h GLU 221 CO -0.01 -0.20 0.16 0.38 -1.00 0.00 0.00 179.01 178.34 1q86 h ASP 222 N -0.59 0.70 -0.24 1.42 3.04 -1.96 0.13 116.42 118.90 1q86 h ASP 222 Ca -0.05 -0.10 -0.13 0.00 -3.24 0.00 0.00 57.03 53.51 1q86 h ASP 222 Cb 0.43 -0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1q86 h ASP 222 CO 0.07 0.67 -0.36 -0.07 -2.04 0.00 0.00 179.24 177.51 1q86 h LEU 223 N 0.74 0.74 -6.23 0.15 4.07 -1.19 -3.38 115.31 110.22 1q86 h LEU 223 Ca 0.17 -0.52 -0.58 0.00 0.08 0.00 0.00 57.88 57.03 1q86 h LEU 223 Cb 0.22 -0.21 -0.40 0.00 1.08 0.00 0.00 40.66 41.35 1q86 h LEU 223 CO -0.01 1.11 -0.89 0.00 -1.08 0.00 0.00 178.44 177.57 1q86 n ALA 224 N -2.51 3.06 -1.67 1.53 0.00 0.32 -3.65 120.51 117.59 1q86 n ALA 224 Ca -0.05 -3.84 -0.47 0.00 0.00 0.00 0.00 53.44 49.08 1q86 n ALA 224 Cb 0.52 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1q86 n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q86 n PRO 225 N 1.56 2.08 -1.48 0.00 -0.04 0.42 -1.01 135.00 136.53 1q86 n PRO 225 Ca 0.25 0.75 -0.06 0.00 -0.04 0.00 0.00 63.50 64.40 1q86 n PRO 225 Cb 0.47 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 1q86 n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q86 n GLY 226 N 3.56 0.60 3.36 0.55 0.00 -1.26 -2.92 105.19 109.09 1q86 n GLY 226 Ca 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1q86 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 227 N -1.86 1.32 3.63 -0.02 0.00 -0.18 -4.98 105.19 103.10 1q86 n GLY 227 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1q86 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 s ALA 228 N -2.93 3.63 0.69 4.61 0.00 -1.15 -4.00 121.76 122.62 1q86 s ALA 228 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 1q86 s ALA 228 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1q86 s ALA 228 CO 0.00 -0.88 1.07 -2.14 0.00 0.00 0.00 175.76 173.82 1q86 s PRO 229 N 2.68 2.82 0.00 0.00 0.02 -1.26 -3.81 135.00 135.45 1q86 s PRO 229 Ca 0.31 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.42 1q86 s PRO 229 Cb -0.15 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1q86 s PRO 229 CO 0.08 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 1q86 n GLY 230 N -1.48 0.81 3.69 0.52 0.00 -1.26 -4.67 105.19 102.81 1q86 n GLY 230 Ca 0.08 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1q86 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q86 s ARG 231 N -2.65 4.24 -0.61 1.61 3.52 -1.24 -3.99 118.95 119.82 1q86 s ARG 231 Ca 0.00 0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.61 1q86 s ARG 231 Cb 0.00 -3.49 -0.11 0.00 -1.56 0.00 0.00 34.95 29.79 1q86 s ARG 231 CO 0.00 0.05 2.45 -0.11 -0.81 0.00 0.00 175.30 176.88 1q86 n LEU 232 N 4.13 1.88 -4.99 -0.88 7.94 -1.26 -4.83 117.00 118.99 1q86 n LEU 232 Ca -0.08 -0.55 -0.21 0.00 -1.11 0.00 0.00 56.01 54.06 1q86 n LEU 232 Cb 0.51 -1.48 0.03 0.00 0.53 0.00 0.00 43.42 43.01 1q86 n LEU 232 CO 0.41 -1.60 0.22 -0.89 -1.11 0.00 0.00 177.39 174.42 1q86 s THR 233 N 11.87 2.23 -0.27 1.96 2.01 -1.26 -2.66 115.64 129.52 1q86 s THR 233 Ca 1.03 -1.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 1q86 s THR 233 Cb -0.33 -2.36 0.16 0.00 0.01 0.00 0.00 72.50 69.97 1q86 s THR 233 CO 0.28 0.00 0.44 0.54 -0.69 0.00 0.00 174.62 175.19 1q86 s VAL 234 N -2.62 -0.71 0.73 3.82 0.11 -0.62 -2.96 120.40 118.15 1q86 s VAL 234 Ca 0.54 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1q86 s VAL 234 Cb -0.05 -0.91 0.11 0.00 -1.53 0.00 0.00 36.38 33.99 1q86 s VAL 234 CO 0.33 -0.14 1.02 -0.36 -3.33 0.00 0.00 175.10 172.62 1q86 s PHE 235 N 2.62 2.16 -0.05 1.54 0.40 0.26 -1.49 117.98 123.41 1q86 s PHE 235 Ca 0.13 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1q86 s PHE 235 Cb -0.14 -3.21 -0.03 0.00 0.51 0.00 0.00 43.02 40.16 1q86 s PHE 235 CO -0.22 -1.66 -0.12 -0.08 0.70 0.00 0.00 175.22 173.84 1q86 s THR 236 N -3.24 3.22 0.09 0.64 -1.32 -0.80 -2.37 115.64 111.87 1q86 s THR 236 Ca 0.64 -0.66 -0.11 0.00 -1.21 0.00 0.00 61.69 60.35 1q86 s THR 236 Cb -0.07 -2.28 0.05 0.00 -1.51 0.00 0.00 72.50 68.69 1q86 s THR 236 CO 0.45 0.59 0.74 1.21 -2.21 0.00 0.00 174.62 175.40 1q86 n GLU 237 N 2.30 -0.16 -0.13 7.08 4.07 0.16 0.16 120.64 134.13 1q86 n GLU 237 Ca -0.17 0.73 -0.12 0.00 -0.06 0.00 0.00 57.16 57.53 1q86 n GLU 237 Cb 0.52 -1.08 -0.02 0.00 -0.06 0.00 0.00 31.44 30.80 1q86 n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1q86 h SER 238 N 0.00 0.89 0.30 4.31 0.02 -1.95 -3.02 113.55 114.11 1q86 h SER 238 Ca 0.12 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1q86 h SER 238 Cb 0.24 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1q86 h SER 238 CO -0.46 1.13 -0.37 0.00 -1.14 0.00 0.00 176.83 175.99 1q86 h ALA 239 N 0.79 -0.75 -1.22 3.77 0.00 0.14 -1.22 119.26 120.77 1q86 h ALA 239 Ca 0.08 -0.11 0.37 0.00 0.00 0.00 0.00 54.91 55.25 1q86 h ALA 239 Cb 0.82 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1q86 h ALA 239 CO 0.07 -0.97 0.80 1.25 0.00 0.00 0.00 179.25 180.41 1q86 h LEU 240 N -0.71 0.29 0.01 0.00 6.46 0.06 0.27 115.31 121.69 1q86 h LEU 240 Ca -0.01 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1q86 h LEU 240 Cb 0.67 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1q86 h LEU 240 CO -0.10 -0.06 -0.00 0.00 -0.62 0.00 0.00 178.44 177.66 1q86 h ALA 241 N 1.57 -0.01 -0.02 1.25 0.00 -1.14 -3.27 119.26 117.63 1q86 h ALA 241 Ca 0.71 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1q86 h ALA 241 Cb 2.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 1q86 h ALA 241 CO -0.32 -0.20 -0.06 0.93 0.00 0.00 0.00 179.25 179.59 1q86 h GLU 242 N -0.62 -0.10 -0.99 0.00 5.08 0.48 -2.79 114.58 115.64 1q86 h GLU 242 Ca -0.00 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.62 1q86 h GLU 242 Cb 0.60 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 29.69 1q86 h GLU 242 CO 0.00 -0.06 -0.05 0.28 -1.00 0.00 0.00 179.01 178.18 1q86 h VAL 243 N -0.10 0.01 -1.34 3.13 2.07 -0.97 -1.56 116.25 117.48 1q86 h VAL 243 Ca 0.03 -0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.97 1q86 h VAL 243 Cb 0.15 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.81 1q86 h VAL 243 CO -0.08 0.00 0.89 0.00 0.02 0.00 0.00 177.57 178.40 1q86 h ALA 244 N 1.99 2.83 -0.35 1.67 0.00 -1.54 0.91 119.26 124.77 1q86 h ALA 244 Ca 0.57 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1q86 h ALA 244 Cb 1.11 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1q86 h ALA 244 CO -0.96 -1.39 0.00 0.39 0.00 0.00 0.00 179.25 177.29 1q86 n GLU 245 N -4.55 2.06 0.00 0.00 1.02 -0.59 -4.74 120.64 113.85 1q86 n GLU 245 Ca 0.35 -1.63 0.15 0.00 -0.02 0.00 0.00 57.16 56.02 1q86 n GLU 245 Cb 1.40 -1.41 0.76 0.00 -0.02 0.00 0.00 31.44 32.17 1q86 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85