#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s GLN 2 N 0.00 2.97 -0.17 2.12 1.11 -1.26 -1.11 119.66 123.31 1q82 s GLN 2 Ca 0.00 -0.74 0.00 0.00 0.01 0.00 0.00 55.36 54.63 1q82 s GLN 2 Cb 0.00 -2.73 0.04 0.00 -1.01 0.00 0.00 33.01 29.30 1q82 s GLN 2 CO 0.00 0.53 -0.08 0.00 0.01 0.00 0.00 175.29 175.75 1q82 s ALA 3 N -1.56 1.67 -0.58 6.09 0.00 0.41 -4.63 121.76 123.16 1q82 s ALA 3 Ca 0.31 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1q82 s ALA 3 Cb -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1q82 s ALA 3 CO 0.23 -0.69 1.17 0.99 0.00 0.00 0.00 175.76 177.46 1q82 s THR 4 N 1.55 4.05 0.20 0.00 2.01 -1.26 -0.43 115.64 121.76 1q82 s THR 4 Ca 0.01 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1q82 s THR 4 Cb -0.15 -4.71 -0.08 0.00 0.01 0.00 0.00 72.50 67.57 1q82 s THR 4 CO -0.08 -1.33 1.14 -0.63 -0.69 0.00 0.00 174.62 173.03 1q82 s ILE 5 N 4.85 3.69 0.00 1.82 1.01 -1.14 -4.36 121.20 127.07 1q82 s ILE 5 Ca 0.41 1.48 0.05 0.00 0.00 0.00 0.00 60.65 62.59 1q82 s ILE 5 Cb -0.08 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1q82 s ILE 5 CO 0.24 0.26 -0.14 -0.31 0.00 0.00 0.00 174.94 175.00 1q82 s TYR 6 N -0.32 2.69 0.44 3.97 1.51 -0.82 -0.46 117.35 124.34 1q82 s TYR 6 Ca 0.50 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 1q82 s TYR 6 Cb -0.31 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1q82 s TYR 6 CO 0.37 0.26 0.67 0.16 -1.11 0.00 0.00 175.55 175.90 1q82 s ASP 7 N -1.19 6.03 0.00 2.29 -4.77 -0.97 -1.15 116.67 116.92 1q82 s ASP 7 Ca 0.14 0.48 0.00 0.00 -3.30 0.00 0.00 52.55 49.87 1q82 s ASP 7 Cb -0.11 -1.82 0.00 0.00 -1.09 0.00 0.00 42.92 39.90 1q82 s ASP 7 CO 0.04 -0.59 0.00 0.18 0.70 0.00 0.00 175.17 175.51 1q82 n LEU 8 N -2.06 0.00 -0.00 2.11 4.77 -1.26 0.69 117.00 121.25 1q82 n LEU 8 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1q82 n LEU 8 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1q82 n LEU 8 CO 0.49 0.00 -0.43 0.47 -1.33 0.00 0.00 177.39 176.60 1q82 n ASP 9 N -0.26 2.63 0.00 -1.43 8.00 -1.26 -4.80 116.55 119.43 1q82 n ASP 9 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1q82 n ASP 9 Cb 0.00 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 1q82 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q82 n GLY 10 N 1.86 0.93 3.80 0.44 0.00 0.22 -4.90 105.19 107.54 1q82 n GLY 10 Ca -0.01 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1q82 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q82 s ASN 11 N -2.05 6.25 0.40 1.61 0.01 -1.25 -4.85 114.94 115.06 1q82 s ASN 11 Ca 0.00 0.35 -0.24 0.00 -0.71 0.00 0.00 52.86 52.26 1q82 s ASN 11 Cb 0.00 -2.05 -0.12 0.00 0.41 0.00 0.00 41.25 39.49 1q82 s ASN 11 CO 0.00 0.31 0.80 0.35 -1.51 0.00 0.00 177.10 177.05 1q82 n THR 12 N 2.65 2.13 -3.01 1.60 -2.24 -1.26 -2.29 114.28 111.86 1q82 n THR 12 Ca -0.18 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 60.94 1q82 n THR 12 Cb 0.54 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1q82 n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1q82 n ASP 13 N 0.95 -0.78 0.00 3.42 -0.08 0.39 -4.81 116.55 115.64 1q82 n ASP 13 Ca 0.11 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1q82 n ASP 13 Cb 0.38 0.40 0.00 0.00 2.34 0.00 0.00 41.12 44.24 1q82 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q82 n GLY 14 N 0.91 -1.67 3.61 0.27 0.00 -1.26 -4.67 105.19 102.38 1q82 n GLY 14 Ca 0.17 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 1q82 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q82 s GLU 15 N 0.00 0.40 0.30 1.61 -1.05 -1.26 -2.89 118.70 115.80 1q82 s GLU 15 Ca 0.00 0.19 0.11 0.00 -0.15 0.00 0.00 54.97 55.11 1q82 s GLU 15 Cb 0.00 0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.83 1q82 s GLU 15 CO 0.00 -0.11 -0.10 0.08 0.95 0.00 0.00 175.26 176.08 1q82 s VAL 16 N -0.73 2.72 -0.01 1.83 1.01 0.42 -4.87 120.40 120.78 1q82 s VAL 16 Ca 0.02 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.53 1q82 s VAL 16 Cb -0.02 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1q82 s VAL 16 CO -0.04 -0.33 1.25 -1.81 0.00 0.00 0.00 175.10 174.17 1q82 s ASP 17 N -3.60 7.00 -0.19 3.32 1.01 -1.26 0.15 116.67 123.10 1q82 s ASP 17 Ca 0.32 1.95 -0.29 0.00 0.71 0.00 0.00 52.55 55.23 1q82 s ASP 17 Cb -0.04 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1q82 s ASP 17 CO 0.17 -0.59 1.61 -0.22 0.21 0.00 0.00 175.17 176.36 1q82 s LEU 18 N 1.94 3.97 1.03 1.23 2.96 -0.27 -4.84 118.68 124.70 1q82 s LEU 18 Ca 0.59 1.72 -0.18 0.00 -0.22 0.00 0.00 54.13 56.04 1q82 s LEU 18 Cb -0.28 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.87 1q82 s LEU 18 CO 0.25 -1.19 -0.27 -0.81 -1.32 0.00 0.00 176.35 173.00 1q82 n PRO 19 N 7.54 -0.70 -0.22 0.98 -0.04 -1.26 -4.17 135.00 137.14 1q82 n PRO 19 Ca 0.18 -0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1q82 n PRO 19 Cb 0.45 -1.52 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1q82 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1q82 h ASP 20 N -1.57 0.97 -0.64 3.54 3.32 -1.92 -3.20 116.42 116.91 1q82 h ASP 20 Ca -0.47 -0.26 0.19 0.00 0.02 0.00 0.00 57.03 56.51 1q82 h ASP 20 Cb 1.34 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1q82 h ASP 20 CO 0.32 0.98 0.58 -0.37 -1.72 0.00 0.00 179.24 179.04 1q82 h VAL 21 N 0.91 0.40 0.00 -1.35 -1.51 -1.90 0.80 116.25 113.61 1q82 h VAL 21 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1q82 h VAL 21 Cb 0.43 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1q82 h VAL 21 CO 0.01 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.84 1q82 n PHE 22 N -3.87 0.00 0.56 5.19 3.01 -1.21 -1.16 117.46 119.99 1q82 n PHE 22 Ca 0.13 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.65 1q82 n PHE 22 Cb 0.82 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 1q82 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1q82 n GLU 23 N -0.88 1.84 -1.70 -1.08 1.02 0.28 -4.57 120.64 115.54 1q82 n GLU 23 Ca 0.12 -0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 56.10 1q82 n GLU 23 Cb 0.06 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1q82 n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1q82 n THR 24 N -0.14 0.01 -1.67 2.62 -1.04 -0.30 -4.86 114.28 108.89 1q82 n THR 24 Ca 0.05 -0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.60 1q82 n THR 24 Cb 0.27 -1.85 -0.04 0.00 -1.82 0.00 0.00 70.33 66.89 1q82 n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1q82 n PRO 25 N 3.86 2.18 -1.95 -2.82 -0.04 -1.26 -4.70 135.00 130.26 1q82 n PRO 25 Ca 0.16 0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 63.99 1q82 n PRO 25 Cb 0.33 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1q82 n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q82 s VAL 26 N 1.58 3.49 -0.70 0.52 1.01 -1.26 -4.77 120.40 120.26 1q82 s VAL 26 Ca 0.82 0.59 0.05 0.00 0.00 0.00 0.00 61.98 63.43 1q82 s VAL 26 Cb -0.67 -3.40 0.19 0.00 0.00 0.00 0.00 36.38 32.49 1q82 s VAL 26 CO 0.40 -0.08 0.58 -1.14 0.00 0.00 0.00 175.10 174.86 1q82 n ARG 27 N 7.32 2.06 -0.23 2.72 3.00 -1.26 -4.96 116.66 125.30 1q82 n ARG 27 Ca 0.18 -4.54 0.24 0.00 -0.00 0.00 0.00 57.85 53.73 1q82 n ARG 27 Cb 0.43 -2.29 0.61 0.00 0.00 0.00 0.00 32.46 31.21 1q82 n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1q82 h SER 28 N 5.11 0.23 -0.29 6.15 4.64 -1.95 -1.69 113.55 125.75 1q82 h SER 28 Ca 0.16 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1q82 h SER 28 Cb 0.73 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1q82 h SER 28 CO 0.76 0.08 0.19 -2.24 -0.87 0.00 0.00 176.83 174.74 1q82 h ASP 29 N 0.22 0.32 -0.63 4.97 2.03 -1.94 0.36 116.42 121.75 1q82 h ASP 29 Ca 0.48 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.68 1q82 h ASP 29 Cb 1.49 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.89 1q82 h ASP 29 CO -0.12 0.23 0.04 -0.07 -1.03 0.00 0.00 179.24 178.30 1q82 h LEU 30 N 0.38 1.05 0.22 0.15 3.38 -1.73 -1.94 115.31 116.82 1q82 h LEU 30 Ca 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1q82 h LEU 30 Cb -0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1q82 h LEU 30 CO -0.03 1.07 -0.20 0.40 0.09 0.00 0.00 178.44 179.77 1q82 h ILE 31 N 1.00 0.56 -1.00 1.22 2.04 -1.17 -1.66 117.51 118.50 1q82 h ILE 31 Ca 0.19 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.22 1q82 h ILE 31 Cb 0.51 0.56 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 1q82 h ILE 31 CO 0.02 0.00 0.62 1.23 0.00 0.00 0.00 178.15 180.02 1q82 h GLY 32 N -0.45 1.69 2.00 5.37 0.00 -0.68 0.33 103.07 111.33 1q82 h GLY 32 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1q82 h GLY 32 CO -0.04 -0.01 -0.37 1.70 0.00 0.00 0.00 176.54 177.82 1q82 h LYS 33 N 0.79 0.00 0.18 4.80 3.64 -0.79 -0.29 116.57 124.90 1q82 h LYS 33 Ca 0.55 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.63 1q82 h LYS 33 Cb 0.83 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1q82 h LYS 33 CO -0.34 0.37 -1.29 0.00 -2.27 0.00 0.00 179.45 175.92 1q82 h ALA 34 N 1.63 -0.08 -0.44 5.00 0.00 -0.06 -2.48 119.26 122.83 1q82 h ALA 34 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1q82 h ALA 34 Cb 0.80 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1q82 h ALA 34 CO 0.05 0.65 -0.19 0.28 0.00 0.00 0.00 179.25 180.04 1q82 h VAL 35 N 0.15 1.27 0.03 0.00 2.07 -1.15 -0.87 116.25 117.75 1q82 h VAL 35 Ca -0.21 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.00 1q82 h VAL 35 Cb 1.99 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1q82 h VAL 35 CO 0.25 0.45 -0.07 -0.09 0.02 0.00 0.00 177.57 178.12 1q82 h ARG 36 N 0.76 -0.13 -0.11 1.57 2.43 -1.07 -1.38 114.38 116.44 1q82 h ARG 36 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1q82 h ARG 36 Cb 0.72 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1q82 h ARG 36 CO 0.06 -0.09 0.07 0.00 -1.51 0.00 0.00 179.97 178.49 1q82 h ALA 37 N 0.82 0.14 -0.82 2.80 0.00 -1.28 -1.32 119.26 119.60 1q82 h ALA 37 Ca 0.02 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1q82 h ALA 37 Cb 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1q82 h ALA 37 CO -0.05 -0.38 0.46 0.00 0.00 0.00 0.00 179.25 179.28 1q82 h ALA 38 N 1.05 1.17 -0.04 0.00 0.00 -0.92 -1.05 119.26 119.47 1q82 h ALA 38 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1q82 h ALA 38 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1q82 h ALA 38 CO -0.02 0.06 -0.58 1.96 0.00 0.00 0.00 179.25 180.68 1q82 h GLN 39 N 0.75 0.11 -0.10 0.00 4.20 -0.95 -3.22 115.11 115.90 1q82 h GLN 39 Ca 0.40 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.94 1q82 h GLN 39 Cb 0.40 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1q82 h GLN 39 CO -0.26 0.66 -0.34 0.00 -0.67 0.00 0.00 178.83 178.22 1q82 h ALA 40 N 1.32 0.17 0.00 3.87 0.00 -0.42 -3.21 119.26 121.00 1q82 h ALA 40 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1q82 h ALA 40 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1q82 h ALA 40 CO 0.08 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1q82 n ASN 41 N -4.39 0.39 -1.07 0.00 3.02 -0.48 -1.48 115.26 111.25 1q82 n ASN 41 Ca -0.08 0.67 0.09 0.00 -0.03 0.00 0.00 54.58 55.24 1q82 n ASN 41 Cb 0.50 -0.73 0.25 0.00 -0.61 0.00 0.00 39.78 39.20 1q82 n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1q82 n ARG 42 N -2.01 2.76 -2.89 3.52 1.85 -1.21 -4.92 116.66 113.75 1q82 n ARG 42 Ca -0.01 -2.41 -0.40 0.00 -1.00 0.00 0.00 57.85 54.03 1q82 n ARG 42 Cb 0.04 -1.45 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 1q82 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1q82 s LYS 43 N -1.01 4.62 0.23 2.89 3.01 -0.55 -5.04 119.74 123.89 1q82 s LYS 43 Ca 0.39 1.25 -0.18 0.00 -1.01 0.00 0.00 55.97 56.41 1q82 s LYS 43 Cb 0.20 -3.32 -0.08 0.00 -1.01 0.00 0.00 37.83 33.62 1q82 s LYS 43 CO 0.26 0.40 0.70 -0.65 0.51 0.00 0.00 175.35 176.58 1q82 s GLN 44 N -0.58 4.16 0.39 1.68 -0.21 -1.26 -4.97 119.66 118.86 1q82 s GLN 44 Ca 0.40 0.77 -0.25 0.00 0.02 0.00 0.00 55.36 56.30 1q82 s GLN 44 Cb -0.23 -2.79 -0.09 0.00 1.00 0.00 0.00 33.01 30.90 1q82 s GLN 44 CO 0.27 0.36 1.11 -0.51 -2.12 0.00 0.00 175.29 174.40 1q82 s ASP 45 N -1.80 6.66 0.03 5.90 -0.00 -1.26 -5.04 116.67 121.15 1q82 s ASP 45 Ca 0.45 2.21 -0.00 0.00 -0.00 0.00 0.00 52.55 55.20 1q82 s ASP 45 Cb -0.15 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 1q82 s ASP 45 CO 0.20 -0.57 0.04 0.00 -0.00 0.00 0.00 175.17 174.84 1q82 n TYR 46 N 0.07 -0.47 0.00 4.23 0.18 -1.26 -5.01 117.16 114.90 1q82 n TYR 46 Ca 0.04 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.64 1q82 n TYR 46 Cb 0.48 0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1q82 n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1q82 n GLY 47 N -0.04 3.99 3.89 -7.48 0.00 -1.26 -1.23 105.19 103.06 1q82 n GLY 47 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1q82 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q82 s SER 48 N 0.00 5.21 0.24 1.61 1.04 -1.23 -4.88 113.70 115.69 1q82 s SER 48 Ca 0.00 0.97 -0.31 0.00 0.48 0.00 0.00 55.95 57.08 1q82 s SER 48 Cb 0.00 -1.71 -0.13 0.00 0.10 0.00 0.00 66.02 64.29 1q82 s SER 48 CO 0.00 -1.46 1.52 -0.67 0.98 0.00 0.00 173.24 173.61 1q82 n ASP 49 N -3.03 3.24 -0.11 7.02 -0.08 -1.26 -4.85 116.55 117.47 1q82 n ASP 49 Ca 0.07 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.58 1q82 n ASP 49 Cb 0.58 -1.49 0.45 0.00 2.34 0.00 0.00 41.12 43.01 1q82 n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1q82 h GLU 50 N 4.92 0.51 -0.29 -0.67 4.39 -1.99 -2.70 114.58 118.76 1q82 h GLU 50 Ca -0.45 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1q82 h GLU 50 Cb 1.25 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1q82 h GLU 50 CO 0.81 0.34 0.00 0.66 -1.16 0.00 0.00 179.01 179.65 1q82 n TYR 51 N -4.48 0.36 -1.67 4.33 4.02 -1.26 -4.96 117.16 113.50 1q82 n TYR 51 Ca 0.10 -0.20 -0.49 0.00 -0.01 0.00 0.00 57.90 57.31 1q82 n TYR 51 Cb 0.32 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.59 1q82 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q82 n ALA 52 N 1.32 0.78 -0.72 -0.72 0.00 -1.02 -0.98 120.51 119.17 1q82 n ALA 52 Ca 0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1q82 n ALA 52 Cb 0.56 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1q82 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 53 N 3.74 1.27 0.11 0.00 0.00 -1.26 -4.28 105.19 104.77 1q82 n GLY 53 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1q82 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q82 n LEU 54 N 0.00 0.99 -3.97 0.99 4.77 -0.16 -3.62 117.00 116.00 1q82 n LEU 54 Ca 0.00 -0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 1q82 n LEU 54 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1q82 n LEU 54 CO 0.00 0.22 2.28 0.54 -1.33 0.00 0.00 177.39 179.09 1q82 n ARG 55 N -0.99 2.46 -3.59 3.23 1.74 -1.24 -4.79 116.66 113.48 1q82 n ARG 55 Ca 0.04 -2.55 -0.06 0.00 -0.77 0.00 0.00 57.85 54.52 1q82 n ARG 55 Cb 0.27 -3.29 -0.03 0.00 -1.02 0.00 0.00 32.46 28.39 1q82 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1q82 s THR 56 N 4.68 0.00 -0.28 0.55 -1.32 -1.26 -5.03 115.64 112.98 1q82 s THR 56 Ca 0.53 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.16 1q82 s THR 56 Cb 0.10 -1.00 0.76 0.00 -1.51 0.00 0.00 72.50 70.86 1q82 s THR 56 CO 0.02 0.00 1.68 -0.81 -2.21 0.00 0.00 174.62 173.30 1q82 n PRO 57 N 0.14 4.47 -1.54 7.08 -0.04 -1.26 -5.02 135.00 138.83 1q82 n PRO 57 Ca -0.03 -3.09 -0.47 0.00 -0.04 0.00 0.00 63.50 59.87 1q82 n PRO 57 Cb 0.59 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1q82 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q82 n ALA 58 N 0.42 -1.09 -2.25 0.55 0.00 -1.26 -4.98 120.51 111.90 1q82 n ALA 58 Ca 0.26 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 54.01 1q82 n ALA 58 Cb 1.13 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 1q82 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q82 s GLU 59 N -1.09 0.89 -0.08 0.00 2.02 -1.05 -4.65 118.70 114.74 1q82 s GLU 59 Ca 0.64 -1.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.19 1q82 s GLU 59 Cb -0.81 -0.36 -0.05 0.00 0.10 0.00 0.00 34.13 33.01 1q82 s GLU 59 CO 0.57 0.02 0.27 0.45 0.02 0.00 0.00 175.26 176.60 1q82 s SER 60 N -2.97 6.57 0.32 -0.19 0.15 -1.26 0.82 113.70 117.15 1q82 s SER 60 Ca 0.12 0.68 0.26 0.00 0.70 0.00 0.00 55.95 57.71 1q82 s SER 60 Cb 0.03 -2.16 0.94 0.00 -1.71 0.00 0.00 66.02 63.12 1q82 s SER 60 CO -0.03 0.33 1.77 -0.26 1.20 0.00 0.00 173.24 176.25 1q82 h PHE 61 N 5.13 0.00 0.00 3.44 -1.00 -1.91 -3.49 116.94 119.12 1q82 h PHE 61 Ca -0.51 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.27 1q82 h PHE 61 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1q82 h PHE 61 CO 0.71 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.82 1q82 n GLY 62 N 0.50 -1.65 3.77 -1.45 0.00 -1.26 -4.89 105.19 100.20 1q82 n GLY 62 Ca 0.03 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1q82 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q82 s SER 63 N -4.00 4.17 0.00 1.61 0.01 -1.26 -4.59 113.70 109.63 1q82 s SER 63 Ca 0.00 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1q82 s SER 63 Cb 0.00 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1q82 s SER 63 CO 0.00 -2.20 0.00 0.61 0.41 0.00 0.00 173.24 172.06 1q82 n GLY 64 N -1.61 1.70 0.06 3.44 0.00 -1.26 -4.95 105.19 102.57 1q82 n GLY 64 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1q82 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q82 n ARG 65 N -0.11 1.82 -3.22 1.61 1.85 -1.26 -4.98 116.66 112.38 1q82 n ARG 65 Ca 0.00 -2.10 -0.19 0.00 -1.00 0.00 0.00 57.85 54.56 1q82 n ARG 65 Cb 0.00 -1.27 0.05 0.00 -1.05 0.00 0.00 32.46 30.20 1q82 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q82 n GLY 66 N -1.03 -0.30 3.24 2.89 0.00 -1.26 -5.01 105.19 103.73 1q82 n GLY 66 Ca 0.09 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1q82 n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q82 s GLN 67 N -5.87 1.02 0.49 1.61 0.74 -1.26 -5.12 119.66 111.26 1q82 s GLN 67 Ca 0.40 -1.08 -0.20 0.00 0.05 0.00 0.00 55.36 54.52 1q82 s GLN 67 Cb -0.18 -1.19 -0.08 0.00 1.10 0.00 0.00 33.01 32.66 1q82 s GLN 67 CO 0.50 0.27 1.05 0.00 -0.55 0.00 0.00 175.29 176.56 1q82 s ALA 68 N -1.19 2.86 -1.07 1.58 0.00 -1.26 -4.88 121.76 117.79 1q82 s ALA 68 Ca 0.03 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1q82 s ALA 68 Cb -0.10 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1q82 s ALA 68 CO 0.03 -0.36 1.92 0.72 0.00 0.00 0.00 175.76 178.08 1q82 n HIS 69 N -0.99 2.67 -5.03 0.00 -0.00 -1.26 -4.88 115.22 105.72 1q82 n HIS 69 Ca 0.09 -1.76 -0.32 0.00 -0.00 0.00 0.00 57.72 55.74 1q82 n HIS 69 Cb 0.52 -2.33 -0.15 0.00 -0.00 0.00 0.00 29.99 28.04 1q82 n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1q82 s VAL 70 N 8.20 2.64 0.35 1.59 1.01 -1.26 -4.98 120.40 127.96 1q82 s VAL 70 Ca 0.63 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1q82 s VAL 70 Cb 0.05 -2.02 -0.11 0.00 0.00 0.00 0.00 36.38 34.30 1q82 s VAL 70 CO 0.12 0.57 1.53 -2.65 0.00 0.00 0.00 175.10 174.67 1q82 n PRO 71 N 2.77 2.71 -3.88 2.72 -0.02 -1.26 -4.26 135.00 133.78 1q82 n PRO 71 Ca -0.17 0.95 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1q82 n PRO 71 Cb 0.52 -2.71 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 1q82 n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1q82 s LYS 72 N -1.60 0.51 -0.06 -0.52 1.02 0.24 -1.86 119.74 117.47 1q82 s LYS 72 Ca 0.57 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 56.06 1q82 s LYS 72 Cb -0.48 0.21 0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1q82 s LYS 72 CO 0.59 -0.12 0.14 -1.17 -0.92 0.00 0.00 175.35 173.86 1q82 s LEU 73 N -1.54 0.61 -1.49 3.17 2.96 0.17 -2.52 118.68 120.04 1q82 s LEU 73 Ca -0.13 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.00 1q82 s LEU 73 Cb -0.06 0.31 0.02 0.00 0.50 0.00 0.00 46.19 46.96 1q82 s LEU 73 CO 0.00 -0.16 0.74 0.47 -1.32 0.00 0.00 176.35 176.08 1q82 n ASP 74 N 4.40 -5.85 -1.49 3.68 8.00 -1.26 -0.98 116.55 123.05 1q82 n ASP 74 Ca -0.23 -0.38 -0.18 0.00 0.71 0.00 0.00 54.79 54.70 1q82 n ASP 74 Cb 0.51 -4.70 -0.07 0.00 -0.02 0.00 0.00 41.12 36.85 1q82 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q82 n GLY 75 N -1.60 1.43 3.27 0.44 0.00 -1.26 -4.98 105.19 102.48 1q82 n GLY 75 Ca -0.07 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1q82 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q82 s ARG 76 N -3.75 2.93 0.57 1.61 3.52 -0.15 -5.09 118.95 118.59 1q82 s ARG 76 Ca 0.00 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 54.55 1q82 s ARG 76 Cb 0.00 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 31.03 1q82 s ARG 76 CO 0.00 0.26 1.19 0.00 -0.81 0.00 0.00 175.30 175.94 1q82 s ALA 77 N 0.15 2.63 0.12 6.12 0.00 -1.26 0.42 121.76 129.94 1q82 s ALA 77 Ca -0.12 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 1q82 s ALA 77 Cb -0.16 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.60 1q82 s ALA 77 CO 0.07 -1.04 0.81 1.03 0.00 0.00 0.00 175.76 176.63 1q82 s ARG 78 N -3.25 1.17 0.00 0.00 0.52 -0.78 -4.79 118.95 111.83 1q82 s ARG 78 Ca 0.75 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1q82 s ARG 78 Cb -0.29 0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.65 1q82 s ARG 78 CO 0.32 -0.52 0.00 -2.13 0.02 0.00 0.00 175.30 172.99 1q82 n ARG 79 N -0.37 0.00 -1.55 3.54 0.63 -1.24 -4.46 116.66 113.22 1q82 n ARG 79 Ca -0.09 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.40 1q82 n ARG 79 Cb 0.62 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.52 1q82 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1q82 n VAL 80 N 0.00 2.02 -0.31 5.15 0.24 -1.26 0.16 118.33 124.33 1q82 n VAL 80 Ca 0.00 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 61.95 1q82 n VAL 80 Cb 0.00 -0.82 0.32 0.00 -1.47 0.00 0.00 33.84 31.86 1q82 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1q82 h PRO 81 N 1.62 0.18 0.00 7.34 0.11 -1.89 -0.84 132.00 138.51 1q82 h PRO 81 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1q82 h PRO 81 Cb 1.36 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1q82 h PRO 81 CO 0.58 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 1q82 n GLN 82 N -5.25 0.58 -3.77 1.05 0.00 -1.26 -4.79 117.38 103.94 1q82 n GLN 82 Ca 0.23 0.03 -0.29 0.00 0.00 0.00 0.00 57.00 56.97 1q82 n GLN 82 Cb 0.75 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.45 1q82 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q82 s ALA 83 N -2.30 3.88 0.17 2.61 0.00 -0.32 -5.04 121.76 120.76 1q82 s ALA 83 Ca 0.31 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1q82 s ALA 83 Cb 0.17 -1.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 1q82 s ALA 83 CO 0.34 0.58 1.18 0.08 0.00 0.00 0.00 175.76 177.94 1q82 s VAL 84 N -1.74 3.68 0.00 0.00 1.01 -1.26 -1.75 120.40 120.34 1q82 s VAL 84 Ca 0.38 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1q82 s VAL 84 Cb -0.12 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1q82 s VAL 84 CO 0.28 0.21 0.00 0.29 0.00 0.00 0.00 175.10 175.88 1q82 n LYS 85 N 2.66 0.00 -2.38 2.72 4.76 -1.26 -4.71 118.16 119.94 1q82 n LYS 85 Ca 0.05 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.24 1q82 n LYS 85 Cb 0.45 -2.81 0.10 0.00 -1.84 0.00 0.00 35.03 30.94 1q82 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q82 s GLY 86 N -1.99 1.76 0.56 0.72 0.00 -0.72 -4.44 107.32 103.20 1q82 s GLY 86 Ca 0.00 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 1q82 s GLY 86 CO 0.00 -0.86 1.14 1.09 0.00 0.00 0.00 173.10 174.47 1q82 s ARG 87 N -5.25 3.23 -0.13 2.90 1.70 0.42 -4.69 118.95 117.14 1q82 s ARG 87 Ca 0.65 1.64 -0.29 0.00 -0.47 0.00 0.00 55.73 57.26 1q82 s ARG 87 Cb -0.07 -1.98 -0.01 0.00 -0.57 0.00 0.00 34.95 32.31 1q82 s ARG 87 CO 0.45 -0.95 1.12 0.45 -1.08 0.00 0.00 175.30 175.29 1q82 s SER 88 N -1.79 7.10 0.09 -2.89 0.15 -1.26 -3.88 113.70 111.22 1q82 s SER 88 Ca 0.73 1.61 -0.25 0.00 0.70 0.00 0.00 55.95 58.75 1q82 s SER 88 Cb -0.25 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.36 1q82 s SER 88 CO 0.29 -0.59 1.71 0.00 1.20 0.00 0.00 173.24 175.85 1q82 h ALA 89 N 7.48 -0.18 -2.59 5.45 0.00 -1.93 -3.36 119.26 124.13 1q82 h ALA 89 Ca -0.29 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.00 1q82 h ALA 89 Cb 1.12 0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 1q82 h ALA 89 CO 0.91 -0.60 -0.86 -1.01 0.00 0.00 0.00 179.25 177.68 1q82 s HIS 90 N -6.16 1.10 0.56 0.00 3.76 -1.26 -5.12 115.29 108.17 1q82 s HIS 90 Ca -0.14 -2.00 0.04 0.00 -0.15 0.00 0.00 55.06 52.81 1q82 s HIS 90 Cb 0.06 -1.11 0.06 0.00 1.11 0.00 0.00 32.58 32.70 1q82 s HIS 90 CO 0.65 -0.81 0.78 -1.25 -0.85 0.00 0.00 174.74 173.26 1q82 s PRO 91 N 0.59 2.37 0.67 8.40 0.04 -1.26 -5.07 135.00 140.74 1q82 s PRO 91 Ca 0.23 -1.14 -0.17 0.00 0.04 0.00 0.00 61.00 59.96 1q82 s PRO 91 Cb -0.15 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1q82 s PRO 91 CO -0.06 -0.80 1.02 -2.30 0.04 0.00 0.00 177.00 174.90 1q82 n PRO 92 N -2.32 0.74 -4.01 0.56 -0.02 -1.26 -4.93 135.00 123.77 1q82 n PRO 92 Ca 0.11 0.30 -0.20 0.00 -2.02 0.00 0.00 63.50 61.69 1q82 n PRO 92 Cb 0.60 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 1q82 n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1q82 s LYS 93 N -3.15 0.65 0.43 -0.52 1.02 -1.25 -3.51 119.74 113.41 1q82 s LYS 93 Ca 0.76 -0.01 0.18 0.00 0.02 0.00 0.00 55.97 56.93 1q82 s LYS 93 Cb -0.37 -0.79 1.11 0.00 -0.52 0.00 0.00 37.83 37.25 1q82 s LYS 93 CO 0.47 -0.15 1.86 1.15 -0.92 0.00 0.00 175.35 177.76 1q82 h THR 94 N 6.21 0.68 0.00 2.17 2.02 -1.51 -1.54 112.91 120.95 1q82 h THR 94 Ca -0.34 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1q82 h THR 94 Cb 1.14 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1q82 h THR 94 CO 0.42 0.07 -0.21 -0.33 0.37 0.00 0.00 175.52 175.83 1q82 h GLU 95 N 0.38 0.00 -6.70 6.66 3.07 -1.95 -3.44 114.58 112.60 1q82 h GLU 95 Ca 0.46 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.75 1q82 h GLU 95 Cb 1.17 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 29.18 1q82 h GLU 95 CO -0.16 0.21 0.62 1.17 -1.40 0.00 0.00 179.01 179.45 1q82 n LYS 96 N -3.63 2.20 -2.98 2.33 4.81 -0.58 -4.93 118.16 115.38 1q82 n LYS 96 Ca -0.01 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.78 1q82 n LYS 96 Cb 0.34 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 32.92 1q82 n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1q82 s ASP 97 N 0.05 6.33 -0.09 3.14 3.68 -1.26 -4.89 116.67 123.63 1q82 s ASP 97 Ca 0.61 -0.44 0.19 0.00 2.13 0.00 0.00 52.55 55.05 1q82 s ASP 97 Cb -0.58 -2.37 0.70 0.00 -1.45 0.00 0.00 42.92 39.22 1q82 s ASP 97 CO 0.55 -1.02 1.61 0.54 0.13 0.00 0.00 175.17 176.99 1q82 n ARG 98 N 6.81 3.52 -3.11 4.34 1.74 -1.26 -4.95 116.66 123.76 1q82 n ARG 98 Ca -0.01 -2.84 -0.26 0.00 -0.77 0.00 0.00 57.85 53.97 1q82 n ARG 98 Cb 0.47 -1.82 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 1q82 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q82 s SER 99 N -0.94 6.32 -0.05 0.55 1.04 -1.26 -4.54 113.70 114.82 1q82 s SER 99 Ca 0.51 0.68 0.05 0.00 0.48 0.00 0.00 55.95 57.66 1q82 s SER 99 Cb 0.31 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 64.30 1q82 s SER 99 CO 0.26 -0.37 -0.19 -0.76 0.98 0.00 0.00 173.24 173.17 1q82 s LEU 100 N -4.28 1.94 0.46 2.42 1.43 -1.26 -4.99 118.68 114.40 1q82 s LEU 100 Ca 0.44 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1q82 s LEU 100 Cb -0.10 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 1q82 s LEU 100 CO 0.37 0.16 0.70 -1.81 0.23 0.00 0.00 176.35 176.01 1q82 s ASP 101 N 0.05 5.94 -0.29 2.29 1.11 -1.26 -4.88 116.67 119.63 1q82 s ASP 101 Ca -0.05 0.46 -0.15 0.00 0.18 0.00 0.00 52.55 52.99 1q82 s ASP 101 Cb -0.13 -1.74 0.13 0.00 1.07 0.00 0.00 42.92 42.25 1q82 s ASP 101 CO 0.03 -0.66 0.85 -0.22 1.18 0.00 0.00 175.17 176.35 1q82 s LEU 102 N -4.60 -0.74 0.22 1.23 2.96 -1.26 -5.02 118.68 111.47 1q82 s LEU 102 Ca 0.47 1.12 -0.31 0.00 -0.22 0.00 0.00 54.13 55.19 1q82 s LEU 102 Cb -0.10 1.99 -0.11 0.00 0.50 0.00 0.00 46.19 48.47 1q82 s LEU 102 CO 0.40 -0.17 1.64 0.20 -1.32 0.00 0.00 176.35 177.10 1q82 s ASN 103 N 1.86 6.44 0.35 3.68 0.01 -1.26 -4.82 114.94 121.19 1q82 s ASN 103 Ca -0.08 2.82 0.16 0.00 -0.71 0.00 0.00 52.86 55.05 1q82 s ASN 103 Cb -0.06 -2.61 1.10 0.00 0.41 0.00 0.00 41.25 40.09 1q82 s ASN 103 CO -0.17 -0.91 1.68 0.44 -1.51 0.00 0.00 177.10 176.62 1q82 h ASP 104 N 6.25 0.51 0.35 -1.22 3.32 -2.00 0.47 116.42 124.09 1q82 h ASP 104 Ca -0.44 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1q82 h ASP 104 Cb 1.21 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1q82 h ASP 104 CO 0.90 -0.09 -0.17 0.11 -1.72 0.00 0.00 179.24 178.27 1q82 h LYS 105 N 0.34 -0.45 -0.84 3.56 1.57 -1.99 0.23 116.57 118.99 1q82 h LYS 105 Ca 0.72 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.61 1q82 h LYS 105 Cb 1.69 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 34.04 1q82 h LYS 105 CO -0.55 -0.24 0.55 1.49 -0.57 0.00 0.00 179.45 180.12 1q82 h GLU 106 N -0.56 0.86 -0.08 3.15 4.81 -1.50 0.25 114.58 121.52 1q82 h GLU 106 Ca -0.05 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1q82 h GLU 106 Cb 0.41 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1q82 h GLU 106 CO 0.08 0.57 -0.43 -0.09 -0.73 0.00 0.00 179.01 178.41 1q82 h ARG 107 N 0.89 0.43 -0.57 1.92 2.43 -0.67 -2.85 114.38 115.96 1q82 h ARG 107 Ca 0.37 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1q82 h ARG 107 Cb 0.29 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1q82 h ARG 107 CO -0.14 0.99 0.19 1.96 -1.51 0.00 0.00 179.97 181.46 1q82 h GLN 108 N -0.03 0.84 -0.56 0.20 4.20 -0.66 -2.15 115.11 116.95 1q82 h GLN 108 Ca -0.03 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.57 1q82 h GLN 108 Cb 1.08 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 1q82 h GLN 108 CO 0.09 0.72 0.32 1.25 -0.67 0.00 0.00 178.83 180.53 1q82 h LEU 109 N 0.82 0.49 -1.30 1.46 5.85 -0.94 -0.60 115.31 121.09 1q82 h LEU 109 Ca 0.19 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1q82 h LEU 109 Cb 0.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1q82 h LEU 109 CO -0.01 0.34 -0.07 0.00 -0.34 0.00 0.00 178.44 178.36 1q82 h ALA 110 N 1.27 1.43 -0.17 1.25 0.00 -1.18 0.21 119.26 122.07 1q82 h ALA 110 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1q82 h ALA 110 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1q82 h ALA 110 CO -0.13 0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.81 1q82 h VAL 111 N 0.37 1.24 -0.26 0.00 2.07 -0.70 0.21 116.25 119.18 1q82 h VAL 111 Ca 0.08 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1q82 h VAL 111 Cb 0.36 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1q82 h VAL 111 CO 0.02 0.24 0.14 0.03 0.02 0.00 0.00 177.57 178.02 1q82 h ARG 112 N 0.06 0.37 -0.79 1.57 3.08 -0.73 -0.20 114.38 117.73 1q82 h ARG 112 Ca 0.05 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1q82 h ARG 112 Cb 0.36 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1q82 h ARG 112 CO 0.01 0.33 0.36 1.03 -1.07 0.00 0.00 179.97 180.62 1q82 h SER 113 N 0.31 1.06 -0.66 7.04 0.87 -0.44 -1.21 113.55 120.52 1q82 h SER 113 Ca 0.09 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1q82 h SER 113 Cb 0.07 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1q82 h SER 113 CO -0.01 0.91 0.09 0.00 -0.53 0.00 0.00 176.83 177.29 1q82 h ALA 114 N 1.25 0.91 -0.14 6.23 0.00 -0.34 -1.52 119.26 125.65 1q82 h ALA 114 Ca 0.27 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1q82 h ALA 114 Cb 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1q82 h ALA 114 CO -0.03 0.67 -0.15 1.25 0.00 0.00 0.00 179.25 180.99 1q82 h LEU 115 N 1.03 -0.48 -1.39 0.00 5.85 -0.14 -2.18 115.31 118.01 1q82 h LEU 115 Ca 0.20 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.03 1q82 h LEU 115 Cb 0.46 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1q82 h LEU 115 CO 0.02 -0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.34 1q82 h ALA 116 N 0.88 1.58 0.00 1.25 0.00 -0.96 -0.44 119.26 121.57 1q82 h ALA 116 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1q82 h ALA 116 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1q82 h ALA 116 CO -0.25 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 1q82 h ALA 117 N 1.61 1.10 0.00 0.00 0.00 -0.64 -1.87 119.26 119.47 1q82 h ALA 117 Ca 0.24 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1q82 h ALA 117 Cb -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q82 h ALA 117 CO -0.06 0.04 -0.35 1.15 0.00 0.00 0.00 179.25 180.04 1q82 h THR 118 N 0.00 1.03 -0.58 0.00 2.02 -0.83 -3.14 112.91 111.42 1q82 h THR 118 Ca -0.00 -1.30 -0.22 0.00 0.77 0.00 0.00 66.41 65.66 1q82 h THR 118 Cb 0.25 1.75 -0.13 0.00 -1.74 0.00 0.00 68.15 68.27 1q82 h THR 118 CO 0.00 0.34 0.28 0.00 0.37 0.00 0.00 175.52 176.52 1q82 n ALA 119 N -2.37 4.19 -3.88 6.16 0.00 -0.70 -3.44 120.51 120.47 1q82 n ALA 119 Ca -0.01 -1.73 -0.30 0.00 0.00 0.00 0.00 53.44 51.39 1q82 n ALA 119 Cb 0.43 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1q82 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1q82 s ASP 120 N -0.56 4.23 0.42 0.00 -1.08 -1.19 -4.74 116.67 113.76 1q82 s ASP 120 Ca 0.38 -2.47 0.26 0.00 -0.52 0.00 0.00 52.55 50.21 1q82 s ASP 120 Cb 0.31 -1.37 1.32 0.00 -1.46 0.00 0.00 42.92 41.73 1q82 s ASP 120 CO 0.09 -0.31 1.67 0.00 0.52 0.00 0.00 175.17 177.14 1q82 h ALA 121 N 7.11 2.56 0.23 3.66 0.00 -1.84 -1.23 119.26 129.75 1q82 h ALA 121 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1q82 h ALA 121 Cb 0.95 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1q82 h ALA 121 CO 0.56 -1.13 -0.11 -0.44 0.00 0.00 0.00 179.25 178.13 1q82 h ASP 122 N 0.18 -0.26 -0.29 0.00 3.32 -1.94 -2.30 116.42 115.13 1q82 h ASP 122 Ca 0.75 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.60 1q82 h ASP 122 Cb 2.23 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 41.77 1q82 h ASP 122 CO -0.39 0.18 -0.32 -0.07 -1.72 0.00 0.00 179.24 176.92 1q82 h LEU 123 N -0.77 -1.03 -0.96 1.55 3.38 -1.59 0.18 115.31 116.06 1q82 h LEU 123 Ca -0.03 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.30 1q82 h LEU 123 Cb 0.51 0.47 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1q82 h LEU 123 CO 0.05 -0.33 0.55 0.58 0.09 0.00 0.00 178.44 179.38 1q82 h VAL 124 N -0.30 0.67 -0.33 1.22 2.07 -1.41 0.45 116.25 118.61 1q82 h VAL 124 Ca 0.14 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 1q82 h VAL 124 Cb 0.53 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1q82 h VAL 124 CO -0.46 0.12 -0.37 0.00 0.02 0.00 0.00 177.57 176.88 1q82 h ALA 125 N 1.64 0.71 -0.27 1.67 0.00 -0.33 -3.10 119.26 119.59 1q82 h ALA 125 Ca 0.56 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1q82 h ALA 125 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1q82 h ALA 125 CO -0.40 0.66 -0.15 -0.44 0.00 0.00 0.00 179.25 178.92 1q82 h ASP 126 N 0.64 0.59 0.00 0.00 3.32 0.16 -2.32 116.42 118.81 1q82 h ASP 126 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1q82 h ASP 126 Cb 0.92 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1q82 h ASP 126 CO 0.08 0.88 0.44 -0.09 -1.72 0.00 0.00 179.24 178.83 1q82 h ARG 127 N 0.30 0.00 0.00 3.56 2.43 -0.16 -3.44 114.38 117.07 1q82 h ARG 127 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1q82 h ARG 127 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1q82 h ARG 127 CO 0.04 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.91 1q82 n GLY 128 N -1.27 1.95 3.75 2.80 0.00 -0.87 -5.10 105.19 106.46 1q82 n GLY 128 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1q82 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q82 n HIS 129 N -0.17 2.57 -3.64 1.61 8.25 -1.18 -5.00 115.22 117.65 1q82 n HIS 129 Ca 0.00 0.44 -0.38 0.00 -0.26 0.00 0.00 57.72 57.53 1q82 n HIS 129 Cb 0.00 -2.43 -0.11 0.00 1.12 0.00 0.00 29.99 28.57 1q82 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1q82 s GLU 130 N -2.54 3.89 -0.04 -0.41 0.41 -1.26 -4.64 118.70 114.11 1q82 s GLU 130 Ca 0.64 -0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 54.54 1q82 s GLU 130 Cb -0.45 -3.57 0.11 0.00 -1.78 0.00 0.00 34.13 28.44 1q82 s GLU 130 CO 0.56 -0.16 0.93 -0.59 -0.49 0.00 0.00 175.26 175.50 1q82 s PHE 131 N 1.67 -0.33 -0.57 1.61 -0.12 -1.26 -1.83 117.98 117.16 1q82 s PHE 131 Ca 0.07 0.24 0.05 0.00 -0.05 0.00 0.00 56.93 57.24 1q82 s PHE 131 Cb -0.16 0.53 0.34 0.00 -0.63 0.00 0.00 43.02 43.10 1q82 s PHE 131 CO 0.09 -0.49 0.93 -0.25 -0.05 0.00 0.00 175.22 175.45 1q82 n ASP 132 N -0.14 4.23 -4.29 1.98 8.00 -0.66 -5.05 116.55 120.62 1q82 n ASP 132 Ca -0.08 -3.64 -0.16 0.00 0.71 0.00 0.00 54.79 51.62 1q82 n ASP 132 Cb 0.61 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 1q82 n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q82 s ARG 133 N -3.39 1.19 -0.19 -1.24 3.52 -1.26 -4.88 118.95 112.71 1q82 s ARG 133 Ca 0.48 -1.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1q82 s ARG 133 Cb 0.28 -0.82 -0.12 0.00 -1.56 0.00 0.00 34.95 32.73 1q82 s ARG 133 CO -0.13 0.11 -0.17 -0.25 -0.81 0.00 0.00 175.30 174.04 1q82 n ASP 134 N -0.29 2.47 -4.84 -2.12 8.00 -1.26 -4.99 116.55 113.52 1q82 n ASP 134 Ca -0.09 -0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.02 1q82 n ASP 134 Cb 0.61 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1q82 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q82 s GLU 135 N -2.37 4.03 -0.28 -1.24 2.02 -1.26 -4.71 118.70 114.89 1q82 s GLU 135 Ca -0.25 0.78 -0.25 0.00 0.02 0.00 0.00 54.97 55.26 1q82 s GLU 135 Cb 0.07 -2.34 0.13 0.00 0.10 0.00 0.00 34.13 32.09 1q82 s GLU 135 CO 0.42 0.06 1.09 0.54 0.02 0.00 0.00 175.26 177.39 1q82 s VAL 136 N -2.11 0.00 0.98 2.63 0.11 -1.26 -4.74 120.40 116.00 1q82 s VAL 136 Ca 0.56 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.49 1q82 s VAL 136 Cb -0.10 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.93 1q82 s VAL 136 CO 0.19 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.88 1q82 s PRO 137 N 0.12 0.60 -0.24 1.54 0.04 -1.22 -4.22 135.00 131.62 1q82 s PRO 137 Ca 0.04 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.53 1q82 s PRO 137 Cb -0.05 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1q82 s PRO 137 CO -0.07 -2.66 0.80 0.08 0.04 0.00 0.00 177.00 175.19 1q82 s VAL 138 N -2.89 4.86 -0.06 -0.36 1.01 -0.88 -4.93 120.40 117.15 1q82 s VAL 138 Ca 0.65 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 64.11 1q82 s VAL 138 Cb -0.19 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1q82 s VAL 138 CO 0.58 -0.05 0.09 -0.69 0.00 0.00 0.00 175.10 175.03 1q82 s VAL 139 N 2.72 4.90 0.05 2.92 1.01 -1.26 -0.07 120.40 130.66 1q82 s VAL 139 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1q82 s VAL 139 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1q82 s VAL 139 CO 0.08 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 175.02 1q82 s VAL 140 N -1.08 0.17 0.56 2.92 1.01 -0.99 -1.95 120.40 121.04 1q82 s VAL 140 Ca 0.19 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1q82 s VAL 140 Cb -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1q82 s VAL 140 CO 0.09 -0.78 1.28 -0.94 0.00 0.00 0.00 175.10 174.75 1q82 s SER 141 N -2.54 5.31 0.12 3.32 1.04 -0.30 0.13 113.70 120.79 1q82 s SER 141 Ca 0.01 2.59 0.08 0.00 0.48 0.00 0.00 55.95 59.11 1q82 s SER 141 Cb 0.03 -2.62 0.45 0.00 0.10 0.00 0.00 66.02 63.98 1q82 s SER 141 CO -0.08 -1.53 1.25 0.47 0.98 0.00 0.00 173.24 174.33 1q82 n ASP 142 N -1.18 0.21 0.20 7.02 8.00 -1.26 -1.16 116.55 128.39 1q82 n ASP 142 Ca 0.11 0.59 0.14 0.00 0.71 0.00 0.00 54.79 56.35 1q82 n ASP 142 Cb 0.47 -0.62 0.72 0.00 -0.02 0.00 0.00 41.12 41.67 1q82 n ASP 142 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1q82 h ASP 143 N 0.00 0.00 -0.86 -2.24 3.32 -1.97 -1.18 116.42 113.49 1q82 h ASP 143 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1q82 h ASP 143 Cb 0.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1q82 h ASP 143 CO 0.00 0.00 0.55 0.15 -1.72 0.00 0.00 179.24 178.22 1q82 h PHE 144 N 0.00 1.04 0.00 4.55 3.57 -1.49 -1.04 116.94 123.56 1q82 h PHE 144 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1q82 h PHE 144 Cb 0.10 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1q82 h PHE 144 CO 0.00 0.59 0.11 0.93 -2.23 0.00 0.00 178.31 177.70 1q82 h GLU 145 N 1.07 0.00 0.00 1.11 5.08 -1.45 -1.26 114.58 119.13 1q82 h GLU 145 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1q82 h GLU 145 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1q82 h GLU 145 CO -0.12 0.00 -0.66 -0.25 -1.00 0.00 0.00 179.01 176.98 1q82 n ASP 146 N -2.37 0.60 -4.64 1.42 8.00 -0.39 -4.93 116.55 114.23 1q82 n ASP 146 Ca -0.02 -0.26 -0.36 0.00 0.71 0.00 0.00 54.79 54.87 1q82 n ASP 146 Cb 0.14 0.40 0.09 0.00 -0.02 0.00 0.00 41.12 41.73 1q82 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1q82 n LEU 147 N -1.67 3.93 0.00 0.64 4.77 -0.48 -4.94 117.00 119.26 1q82 n LEU 147 Ca 0.04 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1q82 n LEU 147 Cb 0.37 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1q82 n LEU 147 CO 0.37 -1.87 -0.26 0.52 -1.33 0.00 0.00 177.39 174.82 1q82 n VAL 148 N -2.52 0.00 -3.32 4.08 0.31 -1.26 -4.57 118.33 111.05 1q82 n VAL 148 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.08 1q82 n VAL 148 Cb 0.49 -0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 1q82 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1q82 s LYS 149 N -1.53 4.15 0.06 5.55 -0.14 -1.26 -4.38 119.74 122.19 1q82 s LYS 149 Ca 0.00 0.67 -0.25 0.00 -1.36 0.00 0.00 55.97 55.04 1q82 s LYS 149 Cb 0.00 -3.24 -0.17 0.00 -1.68 0.00 0.00 37.83 32.75 1q82 s LYS 149 CO 0.00 0.65 1.60 1.15 -0.76 0.00 0.00 175.35 177.99 1q82 h THR 150 N 3.57 0.99 -1.13 2.17 2.02 -1.92 -2.69 112.91 115.92 1q82 h THR 150 Ca -0.50 -0.27 0.35 0.00 0.77 0.00 0.00 66.41 66.76 1q82 h THR 150 Cb 1.21 1.16 -0.12 0.00 -1.74 0.00 0.00 68.15 68.66 1q82 h THR 150 CO 0.63 0.07 0.71 1.56 0.37 0.00 0.00 175.52 178.85 1q82 h GLN 151 N -0.24 0.25 -0.46 6.66 1.08 -1.93 0.46 115.11 120.93 1q82 h GLN 151 Ca -0.01 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 1q82 h GLN 151 Cb 0.20 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1q82 h GLN 151 CO 0.02 0.16 -0.10 0.93 -0.95 0.00 0.00 178.83 178.89 1q82 h GLU 152 N 0.25 0.88 0.00 1.46 5.08 -1.86 -2.15 114.58 118.25 1q82 h GLU 152 Ca 0.72 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 1q82 h GLU 152 Cb 1.97 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1q82 h GLU 152 CO -0.44 0.98 -0.13 0.28 -1.00 0.00 0.00 179.01 178.70 1q82 h VAL 153 N 0.73 1.00 0.33 3.13 2.07 -0.04 -2.14 116.25 121.33 1q82 h VAL 153 Ca 0.12 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1q82 h VAL 153 Cb 0.64 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1q82 h VAL 153 CO 0.04 0.12 -0.16 0.58 0.02 0.00 0.00 177.57 178.18 1q82 h VAL 154 N 0.00 0.65 -0.25 2.57 2.07 -0.87 -1.07 116.25 119.35 1q82 h VAL 154 Ca -0.00 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1q82 h VAL 154 Cb 0.24 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1q82 h VAL 154 CO 0.02 0.10 -0.31 0.28 0.02 0.00 0.00 177.57 177.68 1q82 h SER 155 N -0.77 -0.99 -1.01 0.57 0.02 -1.04 0.29 113.55 110.62 1q82 h SER 155 Ca -0.05 0.16 0.23 0.00 -0.84 0.00 0.00 61.79 61.29 1q82 h SER 155 Cb 0.51 0.44 -0.11 0.00 0.14 0.00 0.00 62.40 63.38 1q82 h SER 155 CO 0.08 -0.33 0.62 0.25 -1.14 0.00 0.00 176.83 176.30 1q82 h LEU 156 N -0.32 0.66 -0.34 5.07 5.85 -1.33 0.15 115.31 125.06 1q82 h LEU 156 Ca 0.13 0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 1q82 h LEU 156 Cb 0.53 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1q82 h LEU 156 CO -0.42 0.17 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.03 1q82 h LEU 157 N 0.61 0.59 -1.14 2.25 3.38 0.37 -1.11 115.31 120.27 1q82 h LEU 157 Ca 0.60 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1q82 h LEU 157 Cb 1.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1q82 h LEU 157 CO -0.39 1.15 -0.26 -0.33 0.09 0.00 0.00 178.44 178.69 1q82 h GLU 158 N 0.34 0.27 0.00 1.13 5.08 0.20 -1.42 114.58 120.19 1q82 h GLU 158 Ca -0.04 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1q82 h GLU 158 Cb 1.34 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1q82 h GLU 158 CO 0.13 0.52 -0.54 0.00 -1.00 0.00 0.00 179.01 178.13 1q82 h ALA 159 N 1.48 0.77 -0.25 3.43 0.00 -0.76 -2.88 119.26 121.05 1q82 h ALA 159 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1q82 h ALA 159 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1q82 h ALA 159 CO 0.04 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.25 1q82 n LEU 160 N -3.41 1.81 -3.10 0.00 4.77 -0.43 -4.90 117.00 111.73 1q82 n LEU 160 Ca 0.01 -0.82 -0.23 0.00 -0.03 0.00 0.00 56.01 54.94 1q82 n LEU 160 Cb 0.67 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1q82 n LEU 160 CO 0.40 0.41 -0.00 0.47 -1.33 0.00 0.00 177.39 177.34 1q82 n ASP 161 N 0.44 -5.62 0.00 -1.43 8.00 -0.73 -4.83 116.55 112.37 1q82 n ASP 161 Ca 0.15 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1q82 n ASP 161 Cb 0.32 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 1q82 n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1q82 n VAL 162 N -4.40 0.00 0.26 2.53 0.31 -0.62 -1.66 118.33 114.74 1q82 n VAL 162 Ca -0.09 -0.41 0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1q82 n VAL 162 Cb 0.60 1.16 0.71 0.00 -0.91 0.00 0.00 33.84 35.40 1q82 n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1q82 h HIS 163 N 0.00 0.00 -0.42 3.52 6.17 -1.83 -2.64 115.15 119.94 1q82 h HIS 163 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.20 1q82 h HIS 163 Cb 0.08 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 1q82 h HIS 163 CO 0.00 0.10 0.44 0.00 0.71 0.00 0.00 177.93 179.18 1q82 h ALA 164 N 1.90 2.15 -0.04 5.26 0.00 -1.84 0.51 119.26 127.20 1q82 h ALA 164 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1q82 h ALA 164 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1q82 h ALA 164 CO 0.01 -0.66 -0.74 0.22 0.00 0.00 0.00 179.25 178.08 1q82 h ASP 165 N 0.00 0.30 0.66 0.00 3.58 -0.97 -2.38 116.42 117.61 1q82 h ASP 165 Ca 0.20 -0.20 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1q82 h ASP 165 Cb 1.09 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 1q82 h ASP 165 CO -0.00 0.93 -0.60 0.40 -2.88 0.00 0.00 179.24 177.09 1q82 h ILE 166 N 0.16 1.38 -0.40 2.25 2.04 -1.09 -1.70 117.51 120.14 1q82 h ILE 166 Ca -0.03 -2.08 -0.05 0.00 1.00 0.00 0.00 64.86 63.70 1q82 h ILE 166 Cb 1.30 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 1q82 h ILE 166 CO 0.12 0.59 0.02 0.44 0.00 0.00 0.00 178.15 179.32 1q82 h ASP 167 N 0.00 0.60 -0.04 1.72 3.45 -1.08 -0.79 116.42 120.28 1q82 h ASP 167 Ca -0.01 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1q82 h ASP 167 Cb 1.09 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.70 1q82 h ASP 167 CO 0.08 0.65 0.01 -0.09 -1.57 0.00 0.00 179.24 178.31 1q82 h ARG 168 N 0.61 0.07 0.00 3.56 2.43 -0.88 -2.73 114.38 117.44 1q82 h ARG 168 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1q82 h ARG 168 Cb 0.35 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1q82 h ARG 168 CO 0.01 0.32 0.00 0.00 -1.51 0.00 0.00 179.97 178.79 1q82 n ALA 169 N -2.24 2.42 -0.90 2.80 0.00 -0.71 -3.86 120.51 118.01 1q82 n ALA 169 Ca -0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1q82 n ALA 169 Cb 0.16 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 1q82 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1q82 n ASP 170 N -1.06 5.79 -3.63 0.00 4.64 -0.33 -4.29 116.55 117.67 1q82 n ASP 170 Ca 0.18 -2.73 -0.12 0.00 -1.38 0.00 0.00 54.79 50.74 1q82 n ASP 170 Cb 0.11 -1.21 -0.12 0.00 -1.04 0.00 0.00 41.12 38.86 1q82 n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1q82 s GLU 171 N -0.47 0.20 0.08 -0.67 2.02 -1.25 -5.05 118.70 113.56 1q82 s GLU 171 Ca 0.36 0.76 -0.11 0.00 0.02 0.00 0.00 54.97 56.00 1q82 s GLU 171 Cb 0.21 -0.06 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 1q82 s GLU 171 CO -0.04 -0.33 0.42 0.95 0.02 0.00 0.00 175.26 176.28 1q82 s THR 172 N 2.46 5.06 -0.17 3.63 -4.23 -1.26 -4.40 115.64 116.73 1q82 s THR 172 Ca 0.02 0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1q82 s THR 172 Cb -0.12 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1q82 s THR 172 CO -0.10 0.31 0.03 -0.75 -0.54 0.00 0.00 174.62 173.57 1q82 s LYS 173 N -1.84 3.88 -0.55 3.99 2.20 0.13 -4.94 119.74 122.62 1q82 s LYS 173 Ca 0.33 -0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 55.35 1q82 s LYS 173 Cb -0.14 -3.12 0.08 0.00 -1.51 0.00 0.00 37.83 33.14 1q82 s LYS 173 CO 0.18 0.27 0.66 0.42 -0.36 0.00 0.00 175.35 176.51 1q82 s ILE 174 N 0.35 4.86 0.55 5.43 1.01 -1.26 -1.65 121.20 130.50 1q82 s ILE 174 Ca 0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 1q82 s ILE 174 Cb -0.13 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 1q82 s ILE 174 CO 0.01 -0.97 0.55 0.29 0.00 0.00 0.00 174.94 174.83 1q82 n LYS 175 N 6.20 0.55 -3.46 2.79 5.02 -0.33 -4.99 118.16 123.95 1q82 n LYS 175 Ca -0.08 0.21 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 1q82 n LYS 175 Cb 0.44 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1q82 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q82 s ALA 176 N -1.68 3.57 0.00 7.82 0.00 -1.26 -4.91 121.76 125.30 1q82 s ALA 176 Ca 0.68 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1q82 s ALA 176 Cb -0.46 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1q82 s ALA 176 CO 0.54 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1q82 n GLY 177 N 3.76 2.37 0.00 0.00 0.00 -1.26 -4.83 105.19 105.24 1q82 n GLY 177 Ca -0.10 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 43.93 1q82 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q82 n GLN 178 N -1.18 0.38 -0.38 1.61 6.02 -1.26 -3.40 117.38 119.16 1q82 n GLN 178 Ca 0.00 0.06 0.31 0.00 -0.01 0.00 0.00 57.00 57.36 1q82 n GLN 178 Cb 0.00 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 30.34 1q82 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1q82 h GLY 179 N 3.88 1.62 -0.56 1.08 0.00 -1.88 1.04 103.07 108.26 1q82 h GLY 179 Ca 0.00 -0.16 0.27 0.00 0.00 0.00 0.00 47.33 47.44 1q82 h GLY 179 CO 0.00 -0.44 0.32 0.23 0.00 0.00 0.00 176.54 176.65 1q82 h SER 180 N 0.18 0.10 0.59 0.19 0.87 -1.69 0.77 113.55 114.56 1q82 h SER 180 Ca 0.77 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.54 1q82 h SER 180 Cb 2.15 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 64.37 1q82 h SER 180 CO -0.50 -0.19 0.00 0.00 -0.53 0.00 0.00 176.83 175.61 1q82 n ALA 181 N -2.62 1.84 -0.19 6.23 0.00 0.36 -2.71 120.51 123.43 1q82 n ALA 181 Ca 0.25 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.69 1q82 n ALA 181 Cb 0.81 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 19.13 1q82 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q82 n ARG 182 N -1.48 2.87 -0.29 0.00 1.74 0.26 -4.95 116.66 114.81 1q82 n ARG 182 Ca 0.05 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 1q82 n ARG 182 Cb 0.20 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1q82 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 183 N 0.58 0.85 2.31 -0.13 0.00 -1.09 -4.97 105.19 102.74 1q82 n GLY 183 Ca 0.12 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1q82 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 n ARG 184 N -2.29 3.19 -0.26 1.61 1.74 -0.90 -4.78 116.66 114.97 1q82 n ARG 184 Ca 0.00 -3.88 -0.05 0.00 -0.77 0.00 0.00 57.85 53.15 1q82 n ARG 184 Cb 0.00 -2.28 0.05 0.00 -1.02 0.00 0.00 32.46 29.22 1q82 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1q82 h LYS 185 N 2.30 0.97 -6.17 5.56 3.64 -1.77 -3.35 116.57 117.76 1q82 h LYS 185 Ca 0.46 -0.09 -0.50 0.00 -1.27 0.00 0.00 60.65 59.24 1q82 h LYS 185 Cb 1.01 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1q82 h LYS 185 CO 1.12 0.70 -0.43 0.71 -2.27 0.00 0.00 179.45 179.27 1q82 s TYR 186 N -5.96 2.79 -0.22 1.91 1.51 -1.26 -1.18 117.35 114.95 1q82 s TYR 186 Ca -0.13 -0.40 -0.27 0.00 -1.01 0.00 0.00 57.07 55.27 1q82 s TYR 186 Cb 0.14 -1.93 0.10 0.00 -0.11 0.00 0.00 41.96 40.16 1q82 s TYR 186 CO 0.79 0.08 0.88 -0.98 -1.11 0.00 0.00 175.55 175.21 1q82 s ARG 187 N -4.03 0.70 0.04 -0.62 1.04 -0.66 -4.88 118.95 110.54 1q82 s ARG 187 Ca 0.43 0.58 -0.01 0.00 -1.04 0.00 0.00 55.73 55.69 1q82 s ARG 187 Cb -0.04 0.34 -0.03 0.00 -2.04 0.00 0.00 34.95 33.18 1q82 s ARG 187 CO 0.26 -0.14 -0.01 -0.98 -0.04 0.00 0.00 175.30 174.39 1q82 s ARG 188 N -0.19 0.55 0.89 3.89 1.70 -1.26 0.23 118.95 124.75 1q82 s ARG 188 Ca -0.01 -1.03 -0.11 0.00 -0.47 0.00 0.00 55.73 54.11 1q82 s ARG 188 Cb -0.03 0.19 0.13 0.00 -0.57 0.00 0.00 34.95 34.67 1q82 s ARG 188 CO -0.00 -0.10 1.16 -2.14 -1.08 0.00 0.00 175.30 173.14 1q82 s PRO 189 N -3.24 1.13 -0.12 3.89 0.02 -1.26 -4.98 135.00 130.43 1q82 s PRO 189 Ca 0.01 1.62 -0.14 0.00 0.02 0.00 0.00 61.00 62.50 1q82 s PRO 189 Cb 0.03 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.77 1q82 s PRO 189 CO -0.08 -2.57 0.32 0.00 -0.33 0.00 0.00 177.00 174.35 1q82 s ALA 190 N -2.52 3.63 0.00 -1.55 0.00 -1.26 -4.43 121.76 115.63 1q82 s ALA 190 Ca 0.69 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1q82 s ALA 190 Cb -0.24 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1q82 s ALA 190 CO 0.56 0.20 0.00 -1.13 0.00 0.00 0.00 175.76 175.40 1q82 n SER 191 N 3.11 0.00 -4.78 0.00 3.41 0.20 -4.92 113.62 110.64 1q82 n SER 191 Ca -0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.12 1q82 n SER 191 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1q82 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1q82 s ILE 192 N 3.95 3.53 -0.19 -1.33 1.01 -1.26 -4.61 121.20 122.30 1q82 s ILE 192 Ca 0.00 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.72 1q82 s ILE 192 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1q82 s ILE 192 CO 0.00 -0.06 -0.07 -0.22 0.00 0.00 0.00 174.94 174.59 1q82 s LEU 193 N -3.01 2.85 -0.34 2.97 2.96 -0.93 -1.91 118.68 121.27 1q82 s LEU 193 Ca 0.62 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 1q82 s LEU 193 Cb -0.23 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1q82 s LEU 193 CO 0.28 0.04 0.21 -0.36 -1.32 0.00 0.00 176.35 175.20 1q82 s PHE 194 N 1.08 3.21 -0.32 5.38 0.40 0.80 -1.39 117.98 127.15 1q82 s PHE 194 Ca 0.01 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.79 1q82 s PHE 194 Cb -0.15 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 1q82 s PHE 194 CO -0.01 -0.44 0.19 0.08 0.70 0.00 0.00 175.22 175.74 1q82 s VAL 195 N 1.66 4.89 0.00 -0.44 1.01 -0.50 0.51 120.40 127.54 1q82 s VAL 195 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1q82 s VAL 195 Cb -0.18 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1q82 s VAL 195 CO 0.09 0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.59 1q82 n THR 196 N 5.03 0.00 0.00 3.92 -2.24 0.40 -2.73 114.28 118.66 1q82 n THR 196 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1q82 n THR 196 Cb 0.50 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1q82 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q82 n SER 197 N -0.51 0.95 -0.05 3.42 2.88 -1.26 -1.30 113.62 117.75 1q82 n SER 197 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1q82 n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1q82 n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1q82 h ASP 198 N 0.00 0.13 -5.01 -3.46 3.32 -1.99 -3.43 116.42 105.98 1q82 h ASP 198 Ca 0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 57.03 56.14 1q82 h ASP 198 Cb 0.93 -0.04 -0.18 0.00 0.22 0.00 0.00 39.33 40.26 1q82 h ASP 198 CO 0.00 1.30 -0.04 -1.61 -1.72 0.00 0.00 179.24 177.17 1q82 s GLU 199 N -2.33 0.93 0.40 3.56 2.02 -1.26 -5.11 118.70 116.90 1q82 s GLU 199 Ca -0.21 -0.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.35 1q82 s GLU 199 Cb 0.01 0.42 -0.11 0.00 0.10 0.00 0.00 34.13 34.56 1q82 s GLU 199 CO 0.70 -0.31 1.31 -2.30 0.02 0.00 0.00 175.26 174.68 1q82 n PRO 200 N 0.71 2.09 -1.75 0.39 -0.02 -1.26 -4.75 135.00 130.40 1q82 n PRO 200 Ca -0.19 0.74 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1q82 n PRO 200 Cb 0.59 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1q82 n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q82 s SER 201 N -0.42 4.89 0.27 2.55 0.15 -1.26 -4.79 113.70 115.08 1q82 s SER 201 Ca 0.59 0.91 -0.01 0.00 0.70 0.00 0.00 55.95 58.13 1q82 s SER 201 Cb -0.52 -2.51 0.38 0.00 -1.71 0.00 0.00 66.02 61.66 1q82 s SER 201 CO 0.60 -2.57 1.80 0.74 1.20 0.00 0.00 173.24 175.01 1q82 h THR 202 N 7.32 1.23 0.00 6.45 2.02 -1.90 -1.33 112.91 126.71 1q82 h THR 202 Ca -0.27 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1q82 h THR 202 Cb 1.22 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1q82 h THR 202 CO 1.16 0.32 -0.13 0.00 0.37 0.00 0.00 175.52 177.24 1q82 h ALA 203 N 1.31 1.10 0.00 6.16 0.00 -1.80 -3.28 119.26 122.74 1q82 h ALA 203 Ca 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1q82 h ALA 203 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1q82 h ALA 203 CO 0.01 0.16 -1.87 0.00 0.00 0.00 0.00 179.25 177.55 1q82 n ALA 204 N -2.20 2.28 -0.35 0.00 0.00 -0.97 -3.46 120.51 115.81 1q82 n ALA 204 Ca -0.01 -0.62 0.13 0.00 0.00 0.00 0.00 53.44 52.95 1q82 n ALA 204 Cb 0.32 -0.41 0.33 0.00 0.00 0.00 0.00 19.45 19.70 1q82 n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1q82 h ARG 205 N 0.00 0.72 0.00 0.00 0.11 -1.31 0.22 114.38 114.12 1q82 h ARG 205 Ca -0.14 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.89 1q82 h ARG 205 Cb 1.18 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1q82 h ARG 205 CO 0.01 0.48 0.00 -1.71 0.10 0.00 0.00 179.97 178.85 1q82 n ASN 206 N -4.76 0.00 -4.76 0.08 5.15 -1.26 -4.69 115.26 105.02 1q82 n ASN 206 Ca 0.23 -0.19 -0.41 0.00 -0.60 0.00 0.00 54.58 53.61 1q82 n ASN 206 Cb 0.58 -0.21 -0.01 0.00 -0.53 0.00 0.00 39.78 39.61 1q82 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q82 s LEU 207 N -2.43 4.34 -0.31 1.20 1.43 0.78 -4.85 118.68 118.85 1q82 s LEU 207 Ca 0.24 2.94 -0.40 0.00 -1.03 0.00 0.00 54.13 55.88 1q82 s LEU 207 Cb 0.15 -3.65 -0.15 0.00 0.03 0.00 0.00 46.19 42.56 1q82 s LEU 207 CO 0.31 -0.85 1.81 0.00 0.23 0.00 0.00 176.35 177.85 1q82 n ALA 208 N 1.43 -0.07 -0.83 4.21 0.00 -1.26 0.10 120.51 124.09 1q82 n ALA 208 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1q82 n ALA 208 Cb 0.39 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1q82 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 209 N 4.62 0.53 3.86 0.00 0.00 -1.26 -4.52 105.19 108.41 1q82 n GLY 209 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 1q82 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 s ALA 210 N -2.52 3.13 -0.01 4.61 0.00 0.12 0.60 121.76 127.68 1q82 s ALA 210 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1q82 s ALA 210 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.09 1q82 s ALA 210 CO 0.00 -0.38 -0.01 -0.51 0.00 0.00 0.00 175.76 174.86 1q82 s ASP 211 N -3.53 0.25 -0.09 0.00 1.01 -0.80 -4.87 116.67 108.64 1q82 s ASP 211 Ca 0.56 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.80 1q82 s ASP 211 Cb -0.10 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 1q82 s ASP 211 CO 0.40 -0.01 -0.11 0.68 0.21 0.00 0.00 175.17 176.34 1q82 s VAL 212 N 0.23 3.27 0.24 -1.27 -7.23 -1.26 -0.14 120.40 114.25 1q82 s VAL 212 Ca -0.02 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.54 1q82 s VAL 212 Cb -0.04 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1q82 s VAL 212 CO -0.01 0.56 0.21 0.00 -0.31 0.00 0.00 175.10 175.55 1q82 s ALA 213 N -0.28 1.26 -0.02 1.32 0.00 0.18 -4.90 121.76 119.32 1q82 s ALA 213 Ca 0.03 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.31 1q82 s ALA 213 Cb -0.13 1.39 -0.02 0.00 0.00 0.00 0.00 23.12 24.36 1q82 s ALA 213 CO 0.03 -0.63 -0.25 0.99 0.00 0.00 0.00 175.76 175.90 1q82 s THR 214 N -3.91 2.16 0.32 0.00 2.01 -1.26 -0.46 115.64 114.51 1q82 s THR 214 Ca 0.38 -1.07 0.10 0.00 0.31 0.00 0.00 61.69 61.42 1q82 s THR 214 Cb 0.05 -1.76 0.31 0.00 0.01 0.00 0.00 72.50 71.12 1q82 s THR 214 CO 0.16 0.58 1.71 0.00 -0.69 0.00 0.00 174.62 176.38 1q82 h ALA 215 N 5.47 1.80 -0.32 7.40 0.00 -1.47 0.27 119.26 132.41 1q82 h ALA 215 Ca -0.43 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1q82 h ALA 215 Cb 1.12 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1q82 h ALA 215 CO 0.47 -0.36 -0.18 0.66 0.00 0.00 0.00 179.25 179.84 1q82 h SER 216 N 0.49 0.58 0.00 0.00 4.64 -1.87 -3.33 113.55 114.06 1q82 h SER 216 Ca 0.66 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1q82 h SER 216 Cb 1.34 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1q82 h SER 216 CO -0.52 0.78 -0.08 -1.84 -0.87 0.00 0.00 176.83 174.30 1q82 n GLU 217 N -4.15 1.31 -1.88 4.77 0.28 -0.72 -5.04 120.64 115.21 1q82 n GLU 217 Ca 0.00 -2.06 -0.41 0.00 -0.16 0.00 0.00 57.16 54.53 1q82 n GLU 217 Cb 0.38 -1.22 -0.02 0.00 1.43 0.00 0.00 31.44 32.02 1q82 n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1q82 s VAL 218 N -1.99 2.29 0.45 3.84 0.11 0.88 -4.86 120.40 121.12 1q82 s VAL 218 Ca 0.20 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1q82 s VAL 218 Cb 0.18 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 1q82 s VAL 218 CO 0.02 0.05 0.03 -0.46 -3.33 0.00 0.00 175.10 171.40 1q82 n ASN 219 N 1.85 3.19 -0.19 3.54 0.23 -1.26 -5.02 115.26 117.60 1q82 n ASN 219 Ca 0.06 -2.94 0.08 0.00 -0.53 0.00 0.00 54.58 51.25 1q82 n ASN 219 Cb 0.39 0.29 0.37 0.00 -2.08 0.00 0.00 39.78 38.74 1q82 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1q82 h THR 220 N 1.19 0.99 -0.23 5.53 2.02 -1.91 -1.58 112.91 118.91 1q82 h THR 220 Ca -0.37 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1q82 h THR 220 Cb 1.12 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1q82 h THR 220 CO 0.61 0.13 -0.01 -0.33 0.37 0.00 0.00 175.52 176.29 1q82 h GLU 221 N 0.73 0.40 0.00 6.66 5.08 -1.93 0.23 114.58 125.75 1q82 h GLU 221 Ca 0.33 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1q82 h GLU 221 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1q82 h GLU 221 CO -0.11 0.60 -0.59 0.38 -1.00 0.00 0.00 179.01 178.28 1q82 h ASP 222 N 0.17 0.00 -0.03 1.42 3.04 -1.92 -0.83 116.42 118.27 1q82 h ASP 222 Ca 0.06 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.61 1q82 h ASP 222 Cb 0.42 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.73 1q82 h ASP 222 CO 0.01 0.59 -0.94 0.25 -2.04 0.00 0.00 179.24 177.11 1q82 h LEU 223 N 0.00 0.87 -6.15 0.15 5.85 -1.25 -3.40 115.31 111.39 1q82 h LEU 223 Ca -0.01 -0.72 -0.58 0.00 0.84 0.00 0.00 57.88 57.42 1q82 h LEU 223 Cb 1.24 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 41.61 1q82 h LEU 223 CO 0.08 1.48 -0.96 0.00 -0.34 0.00 0.00 178.44 178.69 1q82 n ALA 224 N -2.63 2.88 -1.64 1.25 0.00 0.79 -3.52 120.51 117.63 1q82 n ALA 224 Ca -0.10 -3.68 -0.49 0.00 0.00 0.00 0.00 53.44 49.17 1q82 n ALA 224 Cb 0.83 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1q82 n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q82 n PRO 225 N 1.55 1.76 -0.98 0.00 -0.04 -0.32 -0.43 135.00 136.55 1q82 n PRO 225 Ca 0.24 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1q82 n PRO 225 Cb 0.49 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1q82 n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q82 n GLY 226 N 3.17 0.57 1.67 0.55 0.00 -1.26 -2.75 105.19 107.13 1q82 n GLY 226 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1q82 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 227 N -2.28 0.61 3.54 -0.02 0.00 0.43 -5.00 105.19 102.48 1q82 n GLY 227 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1q82 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 s ALA 228 N -2.08 3.49 0.81 4.61 0.00 -1.11 -4.18 121.76 123.30 1q82 s ALA 228 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1q82 s ALA 228 Cb 0.00 -2.88 0.08 0.00 0.00 0.00 0.00 23.12 20.32 1q82 s ALA 228 CO 0.00 -1.13 1.12 -2.14 0.00 0.00 0.00 175.76 173.60 1q82 s PRO 229 N 2.11 1.87 0.00 0.00 0.02 -1.26 -3.93 135.00 133.81 1q82 s PRO 229 Ca 0.13 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.48 1q82 s PRO 229 Cb -0.16 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1q82 s PRO 229 CO 0.12 -1.96 0.00 0.41 -0.33 0.00 0.00 177.00 175.25 1q82 n GLY 230 N -0.64 0.90 3.70 0.52 0.00 -1.26 -4.65 105.19 103.76 1q82 n GLY 230 Ca 0.10 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1q82 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q82 s ARG 231 N -2.80 4.19 -0.29 1.61 3.52 -1.23 -4.13 118.95 119.82 1q82 s ARG 231 Ca 0.00 0.04 -0.33 0.00 -0.13 0.00 0.00 55.73 55.31 1q82 s ARG 231 Cb 0.00 -3.48 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 1q82 s ARG 231 CO 0.00 0.12 2.19 -0.11 -0.81 0.00 0.00 175.30 176.69 1q82 n LEU 232 N 3.98 2.58 -4.50 -0.88 7.94 -1.26 -4.82 117.00 120.04 1q82 n LEU 232 Ca -0.12 0.37 -0.24 0.00 -1.11 0.00 0.00 56.01 54.91 1q82 n LEU 232 Cb 0.52 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 1q82 n LEU 232 CO 0.39 -0.69 -0.45 -0.89 -1.11 0.00 0.00 177.39 174.64 1q82 s THR 233 N 7.50 2.60 -0.14 1.96 2.01 -1.26 -2.19 115.64 126.12 1q82 s THR 233 Ca 1.06 -2.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.71 1q82 s THR 233 Cb -0.67 -2.39 0.04 0.00 0.01 0.00 0.00 72.50 69.49 1q82 s THR 233 CO 0.45 -0.39 0.02 0.54 -0.69 0.00 0.00 174.62 174.54 1q82 s VAL 234 N -2.49 0.50 0.56 3.82 0.11 -0.49 -2.07 120.40 120.34 1q82 s VAL 234 Ca 0.30 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 1q82 s VAL 234 Cb -0.05 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1q82 s VAL 234 CO 0.16 0.01 0.79 -0.36 -3.33 0.00 0.00 175.10 172.37 1q82 s PHE 235 N 1.89 2.69 -0.08 1.54 0.40 0.90 -1.41 117.98 123.92 1q82 s PHE 235 Ca 0.02 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1q82 s PHE 235 Cb -0.15 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 1q82 s PHE 235 CO -0.07 -0.95 -0.09 -0.08 0.70 0.00 0.00 175.22 174.73 1q82 s THR 236 N -2.78 3.51 0.08 0.64 -1.32 -1.10 -2.34 115.64 112.32 1q82 s THR 236 Ca 0.58 -0.54 -0.13 0.00 -1.21 0.00 0.00 61.69 60.39 1q82 s THR 236 Cb -0.10 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 1q82 s THR 236 CO 0.39 0.58 0.72 1.21 -2.21 0.00 0.00 174.62 175.31 1q82 n GLU 237 N 2.49 -0.18 -0.17 7.08 4.07 0.35 0.16 120.64 134.44 1q82 n GLU 237 Ca -0.18 0.71 -0.10 0.00 -0.06 0.00 0.00 57.16 57.53 1q82 n GLU 237 Cb 0.53 -1.05 0.02 0.00 -0.06 0.00 0.00 31.44 30.88 1q82 n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1q82 h SER 238 N 0.00 1.01 0.34 4.31 0.02 -1.95 -3.03 113.55 114.25 1q82 h SER 238 Ca 0.10 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1q82 h SER 238 Cb 0.21 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1q82 h SER 238 CO -0.45 1.14 -0.44 0.00 -1.14 0.00 0.00 176.83 175.94 1q82 h ALA 239 N 0.94 -0.92 -0.90 3.77 0.00 0.13 -1.16 119.26 121.12 1q82 h ALA 239 Ca 0.13 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.12 1q82 h ALA 239 Cb 0.71 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 1q82 h ALA 239 CO 0.05 -1.06 -0.03 1.25 0.00 0.00 0.00 179.25 179.46 1q82 h LEU 240 N -0.83 -0.51 -0.75 0.00 6.46 -0.35 0.16 115.31 119.51 1q82 h LEU 240 Ca -0.03 0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 1q82 h LEU 240 Cb 0.76 0.45 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 1q82 h LEU 240 CO -0.12 -0.28 0.17 0.00 -0.62 0.00 0.00 178.44 177.59 1q82 h ALA 241 N 1.88 0.97 -0.23 1.25 0.00 -1.24 -3.13 119.26 118.76 1q82 h ALA 241 Ca 0.50 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1q82 h ALA 241 Cb 0.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1q82 h ALA 241 CO -0.84 0.66 -0.08 0.93 0.00 0.00 0.00 179.25 179.92 1q82 h GLU 242 N 1.07 0.47 -1.02 0.00 5.08 0.43 -3.06 114.58 117.54 1q82 h GLU 242 Ca 0.22 -0.19 0.26 0.00 -1.00 0.00 0.00 59.36 58.64 1q82 h GLU 242 Cb 0.37 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.50 1q82 h GLU 242 CO 0.00 0.72 0.66 0.28 -1.00 0.00 0.00 179.01 179.67 1q82 h VAL 243 N 0.19 0.55 -0.94 3.13 2.07 -1.02 -1.91 116.25 118.32 1q82 h VAL 243 Ca 0.06 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 67.68 1q82 h VAL 243 Cb 0.57 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1q82 h VAL 243 CO 0.03 0.08 0.65 0.00 0.02 0.00 0.00 177.57 178.34 1q82 h ALA 244 N 1.62 2.56 -0.23 1.67 0.00 -1.48 -1.16 119.26 122.24 1q82 h ALA 244 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1q82 h ALA 244 Cb 1.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1q82 h ALA 244 CO -0.30 -0.85 0.00 0.39 0.00 0.00 0.00 179.25 178.49 1q82 n GLU 245 N -4.40 2.04 0.00 0.00 1.02 -0.72 -4.74 120.64 113.84 1q82 n GLU 245 Ca 0.20 -1.56 0.16 0.00 -0.02 0.00 0.00 57.16 55.94 1q82 n GLU 245 Cb 0.88 -1.44 0.88 0.00 -0.02 0.00 0.00 31.44 31.73 1q82 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85