#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 h VAL 2 N 0.00 1.06 -0.29 -1.45 -1.51 -2.00 -3.15 116.25 108.92 1k73 h VAL 2 Ca 0.00 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.96 1k73 h VAL 2 Cb 0.00 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1k73 h VAL 2 CO 0.00 0.60 0.00 0.00 -1.23 0.00 0.00 177.57 176.94 1k73 n TYR 3 N -3.24 0.36 -3.68 5.19 0.18 -1.26 -4.83 117.16 109.87 1k73 n TYR 3 Ca 0.01 -0.18 -0.38 0.00 1.88 0.00 0.00 57.90 59.23 1k73 n TYR 3 Cb 0.79 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.63 1k73 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1k73 s VAL 4 N -1.62 4.40 -1.57 -3.48 1.01 -1.19 -4.85 120.40 113.10 1k73 s VAL 4 Ca 0.36 -0.55 0.13 0.00 0.00 0.00 0.00 61.98 61.91 1k73 s VAL 4 Cb 0.22 -3.28 0.10 0.00 0.00 0.00 0.00 36.38 33.42 1k73 s VAL 4 CO 0.31 0.04 0.90 0.47 0.00 0.00 0.00 175.10 176.82 1k73 n ASP 5 N 4.95 2.04 -3.67 3.32 8.00 -1.26 -4.72 116.55 125.21 1k73 n ASP 5 Ca -0.14 -1.52 -0.15 0.00 0.71 0.00 0.00 54.79 53.70 1k73 n ASP 5 Cb 0.48 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.51 1k73 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1k73 s PHE 6 N -1.06 -0.47 -0.20 1.24 -0.12 -1.26 -5.13 117.98 110.98 1k73 s PHE 6 Ca 0.15 0.96 -0.12 0.00 -0.05 0.00 0.00 56.93 57.86 1k73 s PHE 6 Cb 0.11 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1k73 s PHE 6 CO 0.16 -0.41 0.23 0.34 -0.05 0.00 0.00 175.22 175.49 1k73 s ASP 7 N -0.65 6.29 -0.39 1.98 2.15 -1.26 -4.97 116.67 119.81 1k73 s ASP 7 Ca -0.07 0.33 -0.20 0.00 0.43 0.00 0.00 52.55 53.04 1k73 s ASP 7 Cb -0.03 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 1k73 s ASP 7 CO 0.04 0.09 0.60 -0.69 -0.17 0.00 0.00 175.17 175.04 1k73 s VAL 8 N 0.71 4.91 0.37 1.11 1.01 -1.26 -5.05 120.40 122.20 1k73 s VAL 8 Ca 0.12 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1k73 s VAL 8 Cb -0.13 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1k73 s VAL 8 CO 0.03 -0.41 1.08 -2.65 0.00 0.00 0.00 175.10 173.15 1k73 n PRO 9 N 6.03 1.54 -0.30 2.72 -0.02 -1.26 -4.74 135.00 138.97 1k73 n PRO 9 Ca -0.03 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1k73 n PRO 9 Cb 0.48 -2.07 0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1k73 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k73 h ALA 10 N 1.89 0.57 -0.86 3.55 0.00 -2.00 -0.29 119.26 122.12 1k73 h ALA 10 Ca -0.44 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k73 h ALA 10 Cb 1.32 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1k73 h ALA 10 CO 0.59 -0.40 0.54 -0.44 0.00 0.00 0.00 179.25 179.54 1k73 h ASP 11 N 0.00 1.01 -0.58 0.00 3.32 -2.00 -2.09 116.42 116.07 1k73 h ASP 11 Ca 0.41 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.35 1k73 h ASP 11 Cb 0.63 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1k73 h ASP 11 CO -0.88 0.75 0.09 0.25 -1.72 0.00 0.00 179.24 177.73 1k73 h LEU 12 N 1.17 0.93 -1.20 1.55 6.46 -1.41 -2.53 115.31 120.27 1k73 h LEU 12 Ca 0.31 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1k73 h LEU 12 Cb -0.09 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.56 1k73 h LEU 12 CO -0.06 0.96 0.51 -0.08 -0.62 0.00 0.00 178.44 179.15 1k73 h GLU 13 N 0.86 1.05 -0.34 1.25 4.81 -0.93 -1.24 114.58 120.06 1k73 h GLU 13 Ca 0.17 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1k73 h GLU 13 Cb 0.43 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1k73 h GLU 13 CO 0.01 0.71 0.07 -0.44 -0.73 0.00 0.00 179.01 178.62 1k73 h ASP 14 N 1.08 0.52 -0.81 1.04 3.32 -1.00 -0.20 116.42 120.37 1k73 h ASP 14 Ca 0.29 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1k73 h ASP 14 Cb -0.11 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 1k73 h ASP 14 CO -0.06 0.64 0.49 0.44 -1.72 0.00 0.00 179.24 179.02 1k73 h ASP 15 N 0.39 0.98 0.31 6.45 3.32 -1.04 0.85 116.42 127.67 1k73 h ASP 15 Ca 0.10 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1k73 h ASP 15 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1k73 h ASP 15 CO 0.00 0.75 -0.15 0.00 -1.72 0.00 0.00 179.24 178.12 1k73 h ALA 16 N 1.42 -0.42 -0.34 3.45 0.00 -0.87 -0.60 119.26 121.90 1k73 h ALA 16 Ca 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1k73 h ALA 16 Cb -0.04 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1k73 h ALA 16 CO -0.05 -0.63 0.17 -0.07 0.00 0.00 0.00 179.25 178.66 1k73 h LEU 17 N -0.63 0.26 -0.41 0.00 3.38 -0.71 -0.68 115.31 116.52 1k73 h LEU 17 Ca -0.04 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1k73 h LEU 17 Cb 0.45 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1k73 h LEU 17 CO 0.07 0.19 -0.14 -0.33 0.09 0.00 0.00 178.44 178.32 1k73 h GLU 18 N 0.36 -0.05 -0.93 1.13 5.08 -0.77 0.90 114.58 120.30 1k73 h GLU 18 Ca 0.14 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1k73 h GLU 18 Cb 0.04 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1k73 h GLU 18 CO -0.09 -0.03 0.60 0.00 -1.00 0.00 0.00 179.01 178.49 1k73 h ALA 19 N 1.32 1.50 -0.58 3.43 0.00 -0.51 -1.98 119.26 122.44 1k73 h ALA 19 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1k73 h ALA 19 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1k73 h ALA 19 CO -0.45 0.36 0.30 1.25 0.00 0.00 0.00 179.25 180.70 1k73 h LEU 20 N 1.05 0.74 -0.76 0.00 5.85 0.64 -1.65 115.31 121.18 1k73 h LEU 20 Ca 0.41 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1k73 h LEU 20 Cb 0.22 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1k73 h LEU 20 CO -0.16 0.64 0.42 -0.33 -0.34 0.00 0.00 178.44 178.67 1k73 h GLU 21 N 0.78 1.06 0.00 1.25 5.08 -0.42 -0.30 114.58 122.03 1k73 h GLU 21 Ca 0.20 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1k73 h GLU 21 Cb 0.08 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1k73 h GLU 21 CO -0.03 0.78 0.00 -0.39 -1.00 0.00 0.00 179.01 178.37 1k73 h VAL 22 N 1.05 0.00 0.08 3.13 -1.51 -1.26 -2.98 116.25 114.75 1k73 h VAL 22 Ca 0.27 -0.40 -0.27 0.00 -1.23 0.00 0.00 66.70 65.07 1k73 h VAL 22 Cb 0.02 1.27 0.03 0.00 -2.13 0.00 0.00 31.29 30.48 1k73 h VAL 22 CO -0.04 0.00 -1.09 0.00 -1.23 0.00 0.00 177.57 175.21 1k73 h ALA 23 N 2.28 0.02 -0.07 5.19 0.00 -0.10 0.11 119.26 126.68 1k73 h ALA 23 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1k73 h ALA 23 Cb 0.54 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1k73 h ALA 23 CO 0.00 0.62 -0.35 0.07 0.00 0.00 0.00 179.25 179.58 1k73 h ARG 24 N 0.20 0.14 0.14 0.00 0.11 -1.19 0.34 114.38 114.12 1k73 h ARG 24 Ca -0.16 -0.06 -0.29 0.00 0.10 0.00 0.00 59.98 59.57 1k73 h ARG 24 Cb 1.77 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.85 1k73 h ARG 24 CO 0.21 0.48 -1.48 -0.44 0.10 0.00 0.00 179.97 178.84 1k73 h ASP 25 N 0.12 0.45 0.14 0.08 3.32 -1.52 -3.41 116.42 115.60 1k73 h ASP 25 Ca 0.01 -0.88 -0.36 0.00 0.02 0.00 0.00 57.03 55.82 1k73 h ASP 25 Cb 0.69 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1k73 h ASP 25 CO 0.05 1.66 -2.11 0.41 -1.72 0.00 0.00 179.24 177.53 1k73 n THR 26 N -3.84 1.65 -0.50 0.35 -1.04 0.36 -5.01 114.28 106.25 1k73 n THR 26 Ca -0.24 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 1k73 n THR 26 Cb 0.95 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1k73 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k73 n GLY 27 N 1.97 4.63 3.13 3.41 0.00 0.12 -4.63 105.19 113.82 1k73 n GLY 27 Ca -0.33 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 1k73 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 s ALA 28 N -2.17 1.22 0.02 4.61 0.00 -0.34 -4.53 121.76 120.57 1k73 s ALA 28 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1k73 s ALA 28 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1k73 s ALA 28 CO 0.00 0.27 -0.03 0.14 0.00 0.00 0.00 175.76 176.14 1k73 s VAL 29 N -0.58 0.14 -0.16 0.00 -7.23 -1.26 0.55 120.40 111.87 1k73 s VAL 29 Ca 0.04 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.49 1k73 s VAL 29 Cb -0.07 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1k73 s VAL 29 CO 0.00 -0.35 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.86 1k73 s LYS 30 N -1.08 3.61 -0.13 4.82 -0.14 0.19 -4.85 119.74 122.16 1k73 s LYS 30 Ca -0.11 -0.55 -0.02 0.00 -1.36 0.00 0.00 55.97 53.93 1k73 s LYS 30 Cb -0.07 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.17 1k73 s LYS 30 CO -0.01 0.21 -0.05 0.15 -0.76 0.00 0.00 175.35 174.89 1k73 s LYS 31 N 0.44 3.40 0.00 1.68 1.02 -1.26 -0.74 119.74 124.27 1k73 s LYS 31 Ca -0.05 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1k73 s LYS 31 Cb -0.15 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1k73 s LYS 31 CO 0.03 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1k73 n GLY 32 N 3.15 2.49 0.35 -3.33 0.00 -0.79 -4.66 105.19 102.40 1k73 n GLY 32 Ca -0.18 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.28 1k73 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k73 h THR 33 N 0.00 1.17 -0.05 2.61 2.02 -1.94 -0.74 112.91 115.98 1k73 h THR 33 Ca 0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1k73 h THR 33 Cb 0.00 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1k73 h THR 33 CO 0.00 0.18 -0.02 -1.13 0.37 0.00 0.00 175.52 174.92 1k73 h ASN 34 N 0.99 0.10 -0.11 4.18 -1.24 -1.93 -0.27 115.58 117.29 1k73 h ASN 34 Ca 0.29 -0.40 -0.03 0.00 0.71 0.00 0.00 56.30 56.87 1k73 h ASN 34 Cb -0.06 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1k73 h ASN 34 CO -0.07 0.47 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.20 1k73 h GLU 35 N -0.28 0.32 -0.06 6.67 5.08 -1.80 -2.42 114.58 122.09 1k73 h GLU 35 Ca 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1k73 h GLU 35 Cb 0.43 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1k73 h GLU 35 CO 0.01 0.36 -0.04 1.15 -1.00 0.00 0.00 179.01 179.48 1k73 h THR 36 N 0.31 1.35 -0.69 1.13 2.02 -0.97 -2.97 112.91 113.09 1k73 h THR 36 Ca 0.07 -1.12 0.13 0.00 0.77 0.00 0.00 66.41 66.26 1k73 h THR 36 Cb 0.23 1.97 -0.09 0.00 -1.74 0.00 0.00 68.15 68.52 1k73 h THR 36 CO 0.01 0.31 0.21 0.74 0.37 0.00 0.00 175.52 177.16 1k73 h THR 37 N -0.28 0.63 0.00 3.16 2.02 -0.73 -0.34 112.91 117.37 1k73 h THR 37 Ca 0.01 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1k73 h THR 37 Cb 0.51 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1k73 h THR 37 CO 0.01 0.06 -0.16 0.11 0.37 0.00 0.00 175.52 175.91 1k73 h LYS 38 N 0.35 0.00 0.29 6.66 1.57 -1.39 -1.93 116.57 122.11 1k73 h LYS 38 Ca 0.38 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1k73 h LYS 38 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1k73 h LYS 38 CO -0.42 0.16 -0.14 0.77 -0.57 0.00 0.00 179.45 179.25 1k73 h SER 39 N 0.00 -0.33 -0.93 0.86 0.02 -0.90 0.15 113.55 112.42 1k73 h SER 39 Ca -0.00 -0.18 0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1k73 h SER 39 Cb 0.38 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.93 1k73 h SER 39 CO 0.02 0.04 0.59 0.40 -1.14 0.00 0.00 176.83 176.74 1k73 h ILE 40 N -0.74 0.83 -0.05 3.27 2.04 -1.19 0.57 117.51 122.24 1k73 h ILE 40 Ca -0.04 -0.26 -0.24 0.00 1.00 0.00 0.00 64.86 65.32 1k73 h ILE 40 Cb 0.50 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1k73 h ILE 40 CO 0.07 0.14 -0.93 -0.33 0.00 0.00 0.00 178.15 177.09 1k73 h GLU 41 N 0.75 0.68 -0.00 2.37 5.08 -1.25 -3.11 114.58 119.08 1k73 h GLU 41 Ca 0.48 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1k73 h GLU 41 Cb 0.72 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1k73 h GLU 41 CO -0.24 1.26 -0.08 0.54 -1.00 0.00 0.00 179.01 179.50 1k73 n ARG 42 N -3.86 0.88 -0.47 2.33 1.74 0.51 -4.92 116.66 112.86 1k73 n ARG 42 Ca -0.09 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1k73 n ARG 42 Cb 0.83 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1k73 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k73 n GLY 43 N 1.22 1.41 0.00 -0.13 0.00 0.19 -4.87 105.19 103.01 1k73 n GLY 43 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1k73 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k73 n SER 44 N 0.00 0.00 -4.77 1.61 3.41 -0.88 -4.77 113.62 108.21 1k73 n SER 44 Ca 0.00 -0.69 -0.39 0.00 -0.26 0.00 0.00 58.87 57.54 1k73 n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1k73 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k73 s ALA 45 N -2.00 3.53 -0.16 7.33 0.00 -1.23 -4.21 121.76 125.02 1k73 s ALA 45 Ca 0.33 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1k73 s ALA 45 Cb 0.15 -2.67 -0.11 0.00 0.00 0.00 0.00 23.12 20.49 1k73 s ALA 45 CO 0.25 0.22 -0.12 0.39 0.00 0.00 0.00 175.76 176.50 1k73 n GLU 46 N 2.57 0.58 -3.68 0.00 1.02 -1.06 -4.83 120.64 115.23 1k73 n GLU 46 Ca -0.08 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1k73 n GLU 46 Cb 0.51 -1.32 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 1k73 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1k73 s LEU 47 N -5.83 -0.24 -0.09 -4.62 2.96 -1.22 -3.93 118.68 105.72 1k73 s LEU 47 Ca -0.20 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 1k73 s LEU 47 Cb 0.05 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 47.89 1k73 s LEU 47 CO 0.39 -0.21 -0.11 0.68 -1.32 0.00 0.00 176.35 175.78 1k73 s VAL 48 N 1.93 3.32 -0.13 1.68 -7.23 -0.49 0.03 120.40 119.51 1k73 s VAL 48 Ca -0.05 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1k73 s VAL 48 Cb -0.10 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1k73 s VAL 48 CO -0.12 0.56 0.06 -0.36 -0.31 0.00 0.00 175.10 174.93 1k73 s PHE 49 N -0.29 3.31 -0.07 2.82 0.40 0.22 -0.71 117.98 123.65 1k73 s PHE 49 Ca 0.03 0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.59 1k73 s PHE 49 Cb -0.13 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.51 1k73 s PHE 49 CO 0.03 0.44 -0.02 0.08 0.70 0.00 0.00 175.22 176.44 1k73 s VAL 50 N -0.52 0.53 0.79 -0.44 1.01 -0.58 -0.65 120.40 120.55 1k73 s VAL 50 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1k73 s VAL 50 Cb -0.12 -0.63 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1k73 s VAL 50 CO 0.02 0.27 1.10 0.00 0.00 0.00 0.00 175.10 176.49 1k73 s ALA 51 N 1.67 2.13 -0.66 5.51 0.00 -0.17 -1.45 121.76 128.79 1k73 s ALA 51 Ca 0.01 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.33 1k73 s ALA 51 Cb -0.13 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1k73 s ALA 51 CO -0.04 -1.90 0.51 0.39 0.00 0.00 0.00 175.76 174.71 1k73 n GLU 52 N -3.62 2.87 -1.27 0.00 1.02 0.01 -4.54 120.64 115.11 1k73 n GLU 52 Ca 0.09 -0.37 -0.24 0.00 -0.02 0.00 0.00 57.16 56.62 1k73 n GLU 52 Cb 0.53 -0.99 0.13 0.00 -0.02 0.00 0.00 31.44 31.09 1k73 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1k73 n ASP 53 N -0.59 5.02 -4.69 1.62 5.75 -1.20 -4.50 116.55 117.96 1k73 n ASP 53 Ca 0.03 -3.73 -0.40 0.00 -0.01 0.00 0.00 54.79 50.68 1k73 n ASP 53 Cb 0.16 -0.80 -0.05 0.00 -1.03 0.00 0.00 41.12 39.41 1k73 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k73 s VAL 54 N -3.97 5.00 -0.07 2.12 1.01 -1.26 -4.88 120.40 118.34 1k73 s VAL 54 Ca 0.57 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 1k73 s VAL 54 Cb 0.47 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1k73 s VAL 54 CO 0.04 0.17 0.13 -1.58 0.00 0.00 0.00 175.10 173.86 1k73 s GLN 55 N 1.32 0.00 0.66 2.72 -0.44 -1.26 -3.58 119.66 119.08 1k73 s GLN 55 Ca 0.36 0.49 -0.15 0.00 -2.50 0.00 0.00 55.36 53.56 1k73 s GLN 55 Cb -0.17 -0.38 0.00 0.00 -1.64 0.00 0.00 33.01 30.82 1k73 s GLN 55 CO 0.15 -0.32 1.12 -2.14 0.50 0.00 0.00 175.29 174.60 1k73 s PRO 56 N 2.25 2.78 0.33 1.67 0.02 -1.26 -5.07 135.00 135.71 1k73 s PRO 56 Ca 0.04 1.42 0.26 0.00 0.02 0.00 0.00 61.00 62.74 1k73 s PRO 56 Cb -0.12 -1.94 1.04 0.00 0.02 0.00 0.00 34.50 33.50 1k73 s PRO 56 CO -0.05 -1.27 1.78 0.93 -0.33 0.00 0.00 177.00 178.06 1k73 h GLU 57 N 0.05 0.00 -0.86 5.54 5.08 -2.00 -3.22 114.58 119.17 1k73 h GLU 57 Ca -0.47 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1k73 h GLU 57 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1k73 h GLU 57 CO 0.54 0.00 0.56 0.93 -1.00 0.00 0.00 179.01 180.04 1k73 h GLU 58 N 0.00 0.74 -0.44 2.33 3.07 -1.98 -0.78 114.58 117.52 1k73 h GLU 58 Ca 0.00 -0.04 0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1k73 h GLU 58 Cb 0.45 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1k73 h GLU 58 CO 0.00 0.49 0.33 0.82 -1.40 0.00 0.00 179.01 179.25 1k73 h ILE 59 N 0.76 0.72 0.00 3.13 2.04 -1.96 -3.09 117.51 119.11 1k73 h ILE 59 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1k73 h ILE 59 Cb 0.54 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1k73 h ILE 59 CO -0.18 0.00 -0.38 0.52 0.00 0.00 0.00 178.15 178.11 1k73 n VAL 60 N -4.31 0.00 -0.27 1.67 0.31 -0.82 -4.81 118.33 110.11 1k73 n VAL 60 Ca 0.08 -0.32 0.19 0.00 -0.01 0.00 0.00 64.34 64.28 1k73 n VAL 60 Cb 0.53 0.82 0.36 0.00 -0.91 0.00 0.00 33.84 34.65 1k73 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1k73 n MET 61 N -1.19 -0.06 0.16 5.55 2.81 -0.36 -0.92 117.12 123.11 1k73 n MET 61 Ca 0.00 1.17 0.02 0.00 -1.81 0.00 0.00 57.70 57.08 1k73 n MET 61 Cb 0.02 -1.98 0.23 0.00 -0.71 0.00 0.00 33.22 30.77 1k73 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1k73 h HIS 62 N 0.00 0.00 -0.47 2.03 2.07 -1.87 -3.37 115.15 113.53 1k73 h HIS 62 Ca 0.59 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 58.16 1k73 h HIS 62 Cb 1.43 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.34 1k73 h HIS 62 CO -0.21 0.52 -0.44 0.82 -3.07 0.00 0.00 177.93 175.55 1k73 h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -1.38 -1.51 117.51 121.82 1k73 h ILE 63 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1k73 h ILE 63 Cb 1.04 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1k73 h ILE 63 CO 0.07 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.88 1k73 n PRO 64 N -4.78 0.00 -0.26 2.37 -0.02 -1.26 -0.04 135.00 131.01 1k73 n PRO 64 Ca -0.01 0.64 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 1k73 n PRO 64 Cb 0.24 -1.22 0.45 0.00 -0.02 0.00 0.00 33.50 32.95 1k73 n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1k73 h GLU 65 N 0.00 0.53 -0.15 -0.52 4.81 -1.82 -0.37 114.58 117.06 1k73 h GLU 65 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1k73 h GLU 65 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1k73 h GLU 65 CO 0.00 0.35 0.08 1.25 -0.73 0.00 0.00 179.01 179.95 1k73 h LEU 66 N 0.54 0.19 -0.99 1.64 5.85 -0.72 -1.74 115.31 120.08 1k73 h LEU 66 Ca 0.47 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.09 1k73 h LEU 66 Cb 0.98 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1k73 h LEU 66 CO -0.21 0.25 0.64 0.00 -0.34 0.00 0.00 178.44 178.78 1k73 h ALA 67 N 0.96 1.26 -0.12 1.25 0.00 0.87 -2.94 119.26 120.53 1k73 h ALA 67 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k73 h ALA 67 Cb 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1k73 h ALA 67 CO -0.01 0.67 0.06 -0.44 0.00 0.00 0.00 179.25 179.53 1k73 h ASP 68 N 1.35 0.16 0.00 0.00 3.32 -0.72 -1.80 116.42 118.73 1k73 h ASP 68 Ca 0.36 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1k73 h ASP 68 Cb -0.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1k73 h ASP 68 CO -0.08 0.22 0.00 -1.84 -1.72 0.00 0.00 179.24 175.82 1k73 n GLU 69 N -4.94 0.80 0.00 3.56 0.28 -0.69 -2.31 120.64 117.34 1k73 n GLU 69 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1k73 n GLU 69 Cb 0.08 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 31.81 1k73 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1k73 n LYS 70 N -0.64 2.13 0.00 3.44 4.76 -0.79 -4.99 118.16 122.07 1k73 n LYS 70 Ca 0.05 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 1k73 n LYS 70 Cb 0.02 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1k73 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k73 n GLY 71 N -0.37 1.45 3.73 0.72 0.00 -0.75 -4.95 105.19 105.03 1k73 n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k73 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k73 n VAL 72 N -1.60 0.43 -2.88 1.61 0.31 -0.97 -4.96 118.33 110.26 1k73 n VAL 72 Ca 0.00 -0.11 -0.34 0.00 -0.01 0.00 0.00 64.34 63.88 1k73 n VAL 72 Cb 0.00 -1.99 -0.07 0.00 -0.91 0.00 0.00 33.84 30.87 1k73 n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1k73 s PRO 73 N 0.47 4.31 0.01 5.55 0.02 -1.25 -4.40 135.00 139.71 1k73 s PRO 73 Ca 0.70 1.10 -0.02 0.00 0.02 0.00 0.00 61.00 62.81 1k73 s PRO 73 Cb -0.50 -2.47 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 1k73 s PRO 73 CO 0.39 0.13 0.02 -0.59 -0.33 0.00 0.00 177.00 176.62 1k73 s PHE 74 N -1.92 0.14 0.05 6.54 -0.12 -1.26 -1.40 117.98 120.01 1k73 s PHE 74 Ca 0.55 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 57.18 1k73 s PHE 74 Cb -0.13 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1k73 s PHE 74 CO 0.18 -0.16 -0.11 -1.50 -0.05 0.00 0.00 175.22 173.57 1k73 s ILE 75 N -1.04 0.88 0.05 -4.49 2.07 0.11 -4.96 121.20 113.83 1k73 s ILE 75 Ca -0.11 -1.07 -0.13 0.00 -1.41 0.00 0.00 60.65 57.92 1k73 s ILE 75 Cb -0.07 -0.85 -0.06 0.00 0.13 0.00 0.00 42.46 41.61 1k73 s ILE 75 CO -0.00 -0.19 0.44 -0.36 -1.91 0.00 0.00 174.94 172.91 1k73 s PHE 76 N -1.11 3.67 -0.01 3.50 2.99 -1.26 -1.52 117.98 124.24 1k73 s PHE 76 Ca -0.03 0.96 0.06 0.00 0.00 0.00 0.00 56.93 57.92 1k73 s PHE 76 Cb -0.09 -2.27 -0.02 0.00 0.00 0.00 0.00 43.02 40.64 1k73 s PHE 76 CO 0.01 0.57 -0.20 0.08 -0.00 0.00 0.00 175.22 175.68 1k73 s VAL 77 N -1.24 1.61 -0.06 -0.44 1.01 -0.53 -4.85 120.40 115.90 1k73 s VAL 77 Ca 0.29 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1k73 s VAL 77 Cb -0.16 -1.35 -0.19 0.00 0.00 0.00 0.00 36.38 34.68 1k73 s VAL 77 CO 0.16 0.43 1.00 -0.33 0.00 0.00 0.00 175.10 176.36 1k73 h GLU 78 N 5.56 -0.09 -5.93 2.72 4.39 -1.94 0.06 114.58 119.34 1k73 h GLU 78 Ca -0.39 0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.74 1k73 h GLU 78 Cb 1.14 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 1k73 h GLU 78 CO 0.47 0.48 -0.06 -0.65 -1.16 0.00 0.00 179.01 178.09 1k73 s GLN 79 N -3.49 4.32 0.16 2.33 -1.52 -1.26 -3.25 119.66 116.96 1k73 s GLN 79 Ca -0.15 0.63 -0.07 0.00 -1.95 0.00 0.00 55.36 53.82 1k73 s GLN 79 Cb 0.00 -3.39 0.03 0.00 -0.22 0.00 0.00 33.01 29.43 1k73 s GLN 79 CO 0.59 0.25 1.48 0.37 -0.25 0.00 0.00 175.29 177.73 1k73 h GLN 80 N 6.20 0.75 0.00 2.91 4.15 -1.87 -3.06 115.11 124.20 1k73 h GLN 80 Ca -0.43 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 58.54 1k73 h GLN 80 Cb 1.19 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 1k73 h GLN 80 CO 0.72 1.07 -0.00 -0.44 -1.93 0.00 0.00 178.83 178.25 1k73 h ASP 81 N 0.59 0.00 0.04 -0.69 3.32 -1.92 -2.02 116.42 115.75 1k73 h ASP 81 Ca 0.03 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.83 1k73 h ASP 81 Cb 1.06 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.64 1k73 h ASP 81 CO 0.10 0.00 -1.00 0.44 -1.72 0.00 0.00 179.24 177.07 1k73 h ASP 82 N 0.00 0.80 -0.56 6.45 3.32 -1.91 -1.62 116.42 122.91 1k73 h ASP 82 Ca -0.00 -0.78 -0.05 0.00 0.02 0.00 0.00 57.03 56.22 1k73 h ASP 82 Cb 0.73 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1k73 h ASP 82 CO 0.00 1.49 0.17 0.25 -1.72 0.00 0.00 179.24 179.42 1k73 h LEU 83 N 0.21 0.82 -0.50 1.55 5.85 -1.47 0.22 115.31 122.00 1k73 h LEU 83 Ca -0.14 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1k73 h LEU 83 Cb 1.68 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1k73 h LEU 83 CO 0.19 0.82 0.16 1.23 -0.34 0.00 0.00 178.44 180.50 1k73 h GLY 84 N 0.78 0.83 0.94 3.75 0.00 -1.43 0.53 103.07 108.48 1k73 h GLY 84 Ca 0.18 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1k73 h GLY 84 CO -0.00 0.46 0.10 0.84 0.00 0.00 0.00 176.54 177.94 1k73 h HIS 85 N 0.67 0.70 -0.87 5.60 -0.00 -1.03 0.49 115.15 120.72 1k73 h HIS 85 Ca 0.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1k73 h HIS 85 Cb 0.27 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 1k73 h HIS 85 CO 0.01 0.66 0.51 0.00 -0.00 0.00 0.00 177.93 179.11 1k73 h ALA 86 N 0.96 1.26 0.00 5.26 0.00 -0.36 0.45 119.26 126.84 1k73 h ALA 86 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k73 h ALA 86 Cb 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1k73 h ALA 86 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1k73 n ALA 87 N -2.41 1.96 -0.04 0.00 0.00 0.16 -3.95 120.51 116.24 1k73 n ALA 87 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1k73 n ALA 87 Cb 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1k73 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k73 n GLY 88 N 0.52 0.98 3.88 0.00 0.00 0.15 -4.95 105.19 105.77 1k73 n GLY 88 Ca 0.06 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1k73 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k73 s LEU 89 N 0.00 4.20 0.42 0.99 1.43 0.17 -4.97 118.68 120.92 1k73 s LEU 89 Ca 0.00 0.79 0.23 0.00 -1.03 0.00 0.00 54.13 54.11 1k73 s LEU 89 Cb 0.00 -3.54 0.31 0.00 0.03 0.00 0.00 46.19 42.99 1k73 s LEU 89 CO 0.00 -0.03 1.57 -0.08 0.23 0.00 0.00 176.35 178.04 1k73 h GLU 90 N 2.62 0.00 -6.30 1.70 4.81 -1.94 -3.30 114.58 112.17 1k73 h GLU 90 Ca -0.47 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.23 1k73 h GLU 90 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1k73 h GLU 90 CO 0.70 0.01 -0.20 0.08 -0.73 0.00 0.00 179.01 178.88 1k73 s VAL 91 N -3.21 1.89 0.74 0.32 1.01 -1.26 -4.98 120.40 114.91 1k73 s VAL 91 Ca 0.06 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1k73 s VAL 91 Cb 0.05 -2.13 0.16 0.00 0.00 0.00 0.00 36.38 34.46 1k73 s VAL 91 CO 0.68 0.00 1.01 0.61 0.00 0.00 0.00 175.10 177.40 1k73 n GLY 92 N -2.01 -0.26 3.40 4.51 0.00 -1.26 -4.07 105.19 105.50 1k73 n GLY 92 Ca 0.07 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1k73 n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k73 s SER 93 N -4.89 -0.64 0.26 1.61 0.15 -0.80 -4.71 113.70 104.67 1k73 s SER 93 Ca 0.62 1.12 0.10 0.00 0.70 0.00 0.00 55.95 58.49 1k73 s SER 93 Cb -0.03 1.09 0.30 0.00 -1.71 0.00 0.00 66.02 65.68 1k73 s SER 93 CO 0.42 -0.21 1.58 0.00 1.20 0.00 0.00 173.24 176.23 1k73 h ALA 94 N 7.25 0.91 -2.13 5.45 0.00 -1.95 -3.39 119.26 125.41 1k73 h ALA 94 Ca -0.31 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 1k73 h ALA 94 Cb 1.18 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.68 1k73 h ALA 94 CO 0.23 0.82 0.09 0.00 0.00 0.00 0.00 179.25 180.38 1k73 s ALA 95 N -3.52 -1.54 0.05 0.00 0.00 -1.26 -1.00 121.76 114.49 1k73 s ALA 95 Ca -0.01 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1k73 s ALA 95 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1k73 s ALA 95 CO 0.77 -0.35 0.07 0.00 0.00 0.00 0.00 175.76 176.24 1k73 s ALA 96 N -1.28 0.08 -0.05 0.00 0.00 0.18 -1.88 121.76 118.81 1k73 s ALA 96 Ca -0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1k73 s ALA 96 Cb -0.01 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.43 1k73 s ALA 96 CO 0.08 -0.36 0.01 0.00 0.00 0.00 0.00 175.76 175.49 1k73 s ALA 97 N -3.18 0.44 -0.66 0.00 0.00 0.08 0.72 121.76 119.17 1k73 s ALA 97 Ca -0.00 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 1k73 s ALA 97 Cb 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.64 1k73 s ALA 97 CO -0.07 -0.30 1.16 0.08 0.00 0.00 0.00 175.76 176.63 1k73 s VAL 98 N 1.61 3.98 -0.97 0.00 1.01 0.10 0.57 120.40 126.71 1k73 s VAL 98 Ca -0.01 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1k73 s VAL 98 Cb -0.13 -4.78 0.17 0.00 0.00 0.00 0.00 36.38 31.64 1k73 s VAL 98 CO -0.03 -1.56 1.11 0.28 0.00 0.00 0.00 175.10 174.90 1k73 s THR 99 N 5.03 5.05 -0.06 3.92 -1.32 0.19 -2.58 115.64 125.88 1k73 s THR 99 Ca 0.35 -2.07 -0.01 0.00 -1.21 0.00 0.00 61.69 58.74 1k73 s THR 99 Cb -0.10 -4.73 0.01 0.00 -1.51 0.00 0.00 72.50 66.17 1k73 s THR 99 CO 0.18 -1.41 0.03 0.47 -2.21 0.00 0.00 174.62 171.68 1k73 n ASP 100 N 5.60 -2.48 -3.22 8.08 9.92 -1.25 -3.39 116.55 129.80 1k73 n ASP 100 Ca 0.24 0.32 -0.08 0.00 -0.53 0.00 0.00 54.79 54.75 1k73 n ASP 100 Cb 0.47 -1.99 0.07 0.00 -0.64 0.00 0.00 41.12 39.03 1k73 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k73 n ALA 101 N 0.28 -1.30 -3.51 2.24 0.00 -1.26 -1.20 120.51 115.76 1k73 n ALA 101 Ca -0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.01 1k73 n ALA 101 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1k73 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k73 s GLY 102 N -1.53 -0.78 -1.18 0.00 0.00 -1.26 -3.98 107.32 98.58 1k73 s GLY 102 Ca 0.16 2.15 -0.04 0.00 0.00 0.00 0.00 44.72 46.99 1k73 s GLY 102 CO 0.14 3.12 0.26 0.00 0.00 0.00 0.00 173.10 176.62 1k73 n ALA 103 N 5.44 -0.92 -1.48 3.20 0.00 -1.26 -4.37 120.51 121.11 1k73 n ALA 103 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1k73 n ALA 103 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1k73 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k73 n ALA 104 N -2.89 0.00 0.25 0.00 0.00 -1.26 -4.90 120.51 111.71 1k73 n ALA 104 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1k73 n ALA 104 Cb 0.58 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.61 1k73 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k73 h ALA 105 N 0.00 1.29 -0.07 0.00 0.00 -1.89 0.55 119.26 119.14 1k73 h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k73 h ALA 105 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1k73 h ALA 105 CO 0.00 -0.29 0.00 2.41 0.00 0.00 0.00 179.25 181.37 1k73 n THR 106 N -2.48 0.00 -0.31 0.00 -1.04 -1.26 -2.54 114.28 106.64 1k73 n THR 106 Ca -0.01 0.49 0.15 0.00 -2.04 0.00 0.00 64.05 62.64 1k73 n THR 106 Cb 0.36 -1.47 0.34 0.00 -1.82 0.00 0.00 70.33 67.74 1k73 n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1k73 h VAL 107 N 0.00 0.43 0.42 12.58 2.07 -1.78 -0.97 116.25 128.99 1k73 h VAL 107 Ca 0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1k73 h VAL 107 Cb 0.00 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1k73 h VAL 107 CO 0.00 0.07 -0.25 0.25 0.02 0.00 0.00 177.57 177.66 1k73 h LEU 108 N 0.38 -0.63 -1.54 2.57 5.85 -0.08 -0.66 115.31 121.21 1k73 h LEU 108 Ca 0.60 0.03 0.39 0.00 0.84 0.00 0.00 57.88 59.74 1k73 h LEU 108 Cb 1.18 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.29 1k73 h LEU 108 CO -0.55 -0.39 0.86 -0.08 -0.34 0.00 0.00 178.44 177.94 1k73 h GLU 109 N -0.62 0.14 0.01 1.25 4.81 -0.94 0.69 114.58 119.92 1k73 h GLU 109 Ca -0.06 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 1k73 h GLU 109 Cb 0.50 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1k73 h GLU 109 CO 0.06 0.10 -0.90 0.93 -0.73 0.00 0.00 179.01 178.47 1k73 h GLU 110 N 0.15 0.15 -0.39 1.92 5.08 -0.93 -2.62 114.58 117.94 1k73 h GLU 110 Ca 0.73 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.82 1k73 h GLU 110 Cb 2.35 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.64 1k73 h GLU 110 CO -0.29 0.95 -0.16 0.82 -1.00 0.00 0.00 179.01 179.33 1k73 h ILE 111 N 0.08 1.26 -0.46 3.13 2.04 0.19 0.73 117.51 124.48 1k73 h ILE 111 Ca -0.04 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 1k73 h ILE 111 Cb 1.54 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1k73 h ILE 111 CO 0.13 0.41 0.10 0.00 0.00 0.00 0.00 178.15 178.80 1k73 h ALA 112 N 1.18 1.32 -0.11 1.87 0.00 -1.12 -1.45 119.26 120.95 1k73 h ALA 112 Ca 0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1k73 h ALA 112 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1k73 h ALA 112 CO 0.04 0.48 -0.24 -0.44 0.00 0.00 0.00 179.25 179.09 1k73 h ASP 113 N 0.67 0.40 -0.92 0.00 3.32 -0.96 -1.83 116.42 117.11 1k73 h ASP 113 Ca 0.15 -0.57 0.06 0.00 0.02 0.00 0.00 57.03 56.70 1k73 h ASP 113 Cb 0.26 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1k73 h ASP 113 CO -0.00 0.90 0.60 0.11 -1.72 0.00 0.00 179.24 179.12 1k73 h LYS 114 N -0.07 1.03 -0.05 3.56 1.57 -0.50 -1.42 116.57 120.67 1k73 h LYS 114 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1k73 h LYS 114 Cb 0.83 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1k73 h LYS 114 CO 0.05 0.68 -0.10 0.28 -0.57 0.00 0.00 179.45 179.79 1k73 h VAL 115 N 1.06 1.42 -0.79 0.50 2.07 -1.27 -0.17 116.25 119.07 1k73 h VAL 115 Ca 0.40 -1.40 0.16 0.00 0.82 0.00 0.00 66.70 66.68 1k73 h VAL 115 Cb 0.19 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1k73 h VAL 115 CO -0.15 0.38 0.53 -0.33 0.02 0.00 0.00 177.57 178.02 1k73 h GLU 116 N -0.34 0.38 0.00 1.57 4.39 -0.96 0.60 114.58 120.22 1k73 h GLU 116 Ca 0.00 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.51 1k73 h GLU 116 Cb 0.67 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1k73 h GLU 116 CO 0.02 0.25 -0.82 0.93 -1.16 0.00 0.00 179.01 178.23 1k73 h GLU 117 N 0.39 0.00 0.00 2.33 5.08 -1.13 -2.66 114.58 118.59 1k73 h GLU 117 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1k73 h GLU 117 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1k73 h GLU 117 CO -0.13 0.82 0.00 -0.11 -1.00 0.00 0.00 179.01 178.60 1k73 n LEU 118 N -3.43 0.00 0.00 1.33 7.94 0.20 -5.09 117.00 117.95 1k73 n LEU 118 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1k73 n LEU 118 Cb 0.83 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.78 1k73 n LEU 118 CO 0.45 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.59