#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbi n MET 1 N 0.00 -3.53 -1.09 1.57 0.00 -1.26 -5.02 117.12 107.79 1xbi n MET 1 Ca 0.00 2.80 -0.33 0.00 0.00 0.00 0.00 57.70 60.17 1xbi n MET 1 Cb 0.00 -4.68 0.13 0.00 0.00 0.00 0.00 33.22 28.67 1xbi n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xbi s ALA 2 N -1.16 1.81 0.29 3.04 0.00 -1.26 -4.90 121.76 119.58 1xbi s ALA 2 Ca -0.10 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1xbi s ALA 2 Cb 0.01 -3.49 0.66 0.00 0.00 0.00 0.00 23.12 20.29 1xbi s ALA 2 CO 0.69 -2.33 1.79 0.28 0.00 0.00 0.00 175.76 176.18 1xbi h VAL 3 N -0.97 0.76 0.00 0.00 2.07 -1.99 -1.18 116.25 114.94 1xbi h VAL 3 Ca -0.46 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1xbi h VAL 3 Cb 1.29 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1xbi h VAL 3 CO 0.46 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.19 1xbi n TYR 4 N -4.75 0.00 -2.92 1.57 0.18 -1.26 -4.42 117.16 105.56 1xbi n TYR 4 Ca 0.21 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.56 1xbi n TYR 4 Cb 0.50 -0.36 -0.04 0.00 -0.38 0.00 0.00 39.34 39.06 1xbi n TYR 4 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1xbi s VAL 5 N -2.72 4.50 -0.54 -3.48 1.01 -0.45 -4.82 120.40 113.90 1xbi s VAL 5 Ca 0.16 -0.76 0.24 0.00 0.00 0.00 0.00 61.98 61.62 1xbi s VAL 5 Cb 0.13 -4.68 0.13 0.00 0.00 0.00 0.00 36.38 31.96 1xbi s VAL 5 CO 0.32 -1.42 1.39 0.11 0.00 0.00 0.00 175.10 175.51 1xbi h LYS 6 N 9.33 0.00 -3.57 2.72 1.57 -1.84 -3.46 116.57 121.33 1xbi h LYS 6 Ca -0.18 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1xbi h LYS 6 Cb 1.06 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 1xbi h LYS 6 CO 1.15 0.00 -0.19 -0.59 -0.57 0.00 0.00 179.45 179.25 1xbi s PHE 7 N -3.20 -0.03 -0.19 -1.35 -0.12 -1.26 -5.12 117.98 106.71 1xbi s PHE 7 Ca 0.06 -0.33 -0.19 0.00 -0.05 0.00 0.00 56.93 56.41 1xbi s PHE 7 Cb 0.11 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1xbi s PHE 7 CO 0.70 -0.66 0.55 0.21 -0.05 0.00 0.00 175.22 175.97 1xbi s LYS 8 N -3.84 4.22 -0.27 1.99 2.47 -1.26 -4.95 119.74 118.08 1xbi s LYS 8 Ca 0.05 0.48 -0.04 0.00 -1.56 0.00 0.00 55.97 54.90 1xbi s LYS 8 Cb 0.03 -3.55 0.02 0.00 -1.46 0.00 0.00 37.83 32.86 1xbi s LYS 8 CO -0.10 -0.14 0.02 0.08 0.16 0.00 0.00 175.35 175.37 1xbi s VAL 9 N 1.60 3.49 0.77 4.02 1.01 -1.26 -4.96 120.40 125.07 1xbi s VAL 9 Ca 0.26 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1xbi s VAL 9 Cb -0.16 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.49 1xbi s VAL 9 CO 0.10 0.13 1.09 -2.16 0.00 0.00 0.00 175.10 174.27 1xbi s PRO 10 N 1.42 2.30 0.33 2.72 0.04 -1.26 -4.72 135.00 135.84 1xbi s PRO 10 Ca 0.01 0.62 0.05 0.00 0.04 0.00 0.00 61.00 61.72 1xbi s PRO 10 Cb -0.17 -1.94 0.69 0.00 0.04 0.00 0.00 34.50 33.11 1xbi s PRO 10 CO -0.01 -1.46 1.90 1.05 0.04 0.00 0.00 177.00 178.52 1xbi h GLU 11 N -0.97 0.81 -0.41 4.56 4.11 -1.98 -0.42 114.58 120.28 1xbi h GLU 11 Ca -0.46 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 58.85 1xbi h GLU 11 Cb 1.26 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1xbi h GLU 11 CO 0.60 0.54 -0.04 1.49 0.07 0.00 0.00 179.01 181.67 1xbi h GLU 12 N 0.84 0.68 0.06 1.06 4.57 -2.01 -1.03 114.58 118.76 1xbi h GLU 12 Ca 0.40 -0.19 -0.24 0.00 -1.18 0.00 0.00 59.36 58.16 1xbi h GLU 12 Cb 0.43 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1xbi h GLU 12 CO -0.17 0.73 -1.08 0.82 -1.18 0.00 0.00 179.01 178.13 1xbi h ILE 13 N 0.64 1.50 -0.85 2.32 1.08 -1.61 -2.74 117.51 117.84 1xbi h ILE 13 Ca 0.12 -2.88 0.13 0.00 -0.39 0.00 0.00 64.86 61.85 1xbi h ILE 13 Cb 0.46 2.73 -0.09 0.00 -3.07 0.00 0.00 36.82 36.85 1xbi h ILE 13 CO 0.02 0.84 0.46 1.56 -0.69 0.00 0.00 178.15 180.35 1xbi h GLN 14 N 0.11 0.68 -0.63 2.37 4.20 -0.81 -0.49 115.11 120.53 1xbi h GLN 14 Ca -0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1xbi h GLN 14 Cb 1.77 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.37 1xbi h GLN 14 CO 0.17 0.45 0.30 -0.22 -0.67 0.00 0.00 178.83 178.86 1xbi h LYS 15 N 0.70 0.92 -0.78 1.46 1.63 -0.95 -1.51 116.57 118.05 1xbi h LYS 15 Ca 0.45 -0.14 0.10 0.00 -0.85 0.00 0.00 60.65 60.21 1xbi h LYS 15 Cb 0.56 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 1xbi h LYS 15 CO -0.32 0.74 0.42 0.93 -3.45 0.00 0.00 179.45 177.77 1xbi h GLU 16 N 0.88 0.67 0.27 1.90 5.08 -1.11 0.86 114.58 123.12 1xbi h GLU 16 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1xbi h GLU 16 Cb 0.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xbi h GLU 16 CO -0.03 0.44 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.23 1xbi h LEU 17 N 0.69 -0.31 -0.87 1.33 3.38 -0.71 -1.19 115.31 117.64 1xbi h LEU 17 Ca 0.39 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.41 1xbi h LEU 17 Cb 0.40 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1xbi h LEU 17 CO -0.27 -0.13 0.50 -0.07 0.09 0.00 0.00 178.44 178.56 1xbi h LEU 18 N -0.46 0.71 -0.70 1.67 3.38 -1.04 -2.10 115.31 116.76 1xbi h LEU 18 Ca -0.04 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1xbi h LEU 18 Cb 0.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xbi h LEU 18 CO 0.06 0.38 -0.54 0.44 0.09 0.00 0.00 178.44 178.87 1xbi h ASP 19 N 0.81 0.33 0.12 -0.43 3.32 -0.66 -1.25 116.42 118.65 1xbi h ASP 19 Ca 0.43 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1xbi h ASP 19 Cb 0.45 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1xbi h ASP 19 CO -0.27 0.81 -0.10 0.00 -1.72 0.00 0.00 179.24 177.96 1xbi h ALA 20 N 1.20 -0.21 -0.56 3.45 0.00 -0.82 -2.41 119.26 119.92 1xbi h ALA 20 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1xbi h ALA 20 Cb 1.03 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1xbi h ALA 20 CO 0.09 -0.63 0.10 0.28 0.00 0.00 0.00 179.25 179.08 1xbi h VAL 21 N -0.23 0.65 0.00 0.00 2.07 -1.15 -2.38 116.25 115.21 1xbi h VAL 21 Ca -0.00 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1xbi h VAL 21 Cb 0.21 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xbi h VAL 21 CO -0.02 0.04 -0.43 0.00 0.02 0.00 0.00 177.57 177.18 1xbi h ALA 22 N 1.45 1.27 -0.03 1.67 0.00 -0.94 -2.28 119.26 120.40 1xbi h ALA 22 Ca 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xbi h ALA 22 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xbi h ALA 22 CO -0.39 0.54 0.00 0.36 0.00 0.00 0.00 179.25 179.76 1xbi n LYS 23 N -4.00 2.14 -1.67 0.00 2.85 -0.93 -4.97 118.16 111.59 1xbi n LYS 23 Ca -0.02 -1.66 -0.37 0.00 -1.05 0.00 0.00 58.31 55.22 1xbi n LYS 23 Cb 0.46 -1.47 0.07 0.00 -0.65 0.00 0.00 35.03 33.45 1xbi n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xbi n ALA 24 N 1.01 0.99 0.04 0.58 0.00 -0.86 -3.33 120.51 118.95 1xbi n ALA 24 Ca 0.15 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 1xbi n ALA 24 Cb 0.53 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.53 1xbi n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1xbi h GLN 25 N 0.39 0.24 -3.42 0.00 4.20 -0.97 -3.45 115.11 112.11 1xbi h GLN 25 Ca -0.50 -0.42 -0.29 0.00 0.06 0.00 0.00 58.65 57.50 1xbi h GLN 25 Cb 1.34 0.16 -0.34 0.00 0.30 0.00 0.00 27.48 28.94 1xbi h GLN 25 CO 0.52 1.09 -0.69 0.21 -0.67 0.00 0.00 178.83 179.29 1xbi s LYS 26 N -2.60 -0.01 0.25 1.46 2.47 -0.78 -4.94 119.74 115.59 1xbi s LYS 26 Ca -0.12 0.27 0.04 0.00 -1.56 0.00 0.00 55.97 54.59 1xbi s LYS 26 Cb 0.07 -0.25 -0.05 0.00 -1.46 0.00 0.00 37.83 36.13 1xbi s LYS 26 CO 0.83 -0.19 -0.00 0.96 0.16 0.00 0.00 175.35 177.11 1xbi s ILE 27 N 1.24 1.11 0.06 5.43 -4.36 -1.26 -0.92 121.20 122.49 1xbi s ILE 27 Ca -0.07 -2.04 0.10 0.00 -0.26 0.00 0.00 60.65 58.37 1xbi s ILE 27 Cb -0.13 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 1xbi s ILE 27 CO -0.04 -0.28 -0.26 -0.54 0.24 0.00 0.00 174.94 174.05 1xbi s LYS 28 N -3.85 1.75 -0.11 0.37 -0.14 -0.11 -4.91 119.74 112.73 1xbi s LYS 28 Ca 0.30 -1.14 0.02 0.00 -1.36 0.00 0.00 55.97 53.78 1xbi s LYS 28 Cb 0.06 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 34.25 1xbi s LYS 28 CO 0.10 0.50 -0.17 0.15 -0.76 0.00 0.00 175.35 175.18 1xbi s LYS 29 N -1.37 2.34 0.00 1.68 1.02 -1.26 -1.18 119.74 120.97 1xbi s LYS 29 Ca 0.12 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1xbi s LYS 29 Cb -0.10 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1xbi s LYS 29 CO 0.03 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1xbi n GLY 30 N 4.10 1.93 0.29 -3.33 0.00 0.06 -4.41 105.19 103.82 1xbi n GLY 30 Ca -0.19 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 43.91 1xbi n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbi h ALA 31 N 0.00 1.17 -0.09 4.61 0.00 -1.88 -0.90 119.26 122.18 1xbi h ALA 31 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1xbi h ALA 31 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xbi h ALA 31 CO 0.00 0.54 -0.18 -0.91 0.00 0.00 0.00 179.25 178.71 1xbi h ASN 32 N 0.72 0.31 -0.41 0.00 -0.26 -1.90 -0.37 115.58 113.66 1xbi h ASN 32 Ca 0.15 -0.56 -0.04 0.00 -0.56 0.00 0.00 56.30 55.28 1xbi h ASN 32 Cb 0.39 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1xbi h ASN 32 CO 0.01 0.81 0.09 -0.33 -1.06 0.00 0.00 177.43 176.95 1xbi h GLU 33 N -0.19 0.67 -0.21 0.81 4.39 -1.74 -1.93 114.58 116.37 1xbi h GLU 33 Ca 0.00 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1xbi h GLU 33 Cb 0.76 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1xbi h GLU 33 CO 0.04 0.69 0.10 0.28 -1.16 0.00 0.00 179.01 178.96 1xbi h VAL 34 N 0.53 0.99 -0.65 3.13 2.07 -1.13 -1.34 116.25 119.85 1xbi h VAL 34 Ca 0.13 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xbi h VAL 34 Cb 0.33 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1xbi h VAL 34 CO 0.00 0.04 0.28 0.74 0.02 0.00 0.00 177.57 178.65 1xbi h THR 35 N 0.22 1.22 -0.41 2.57 2.02 -0.90 -1.16 112.91 116.48 1xbi h THR 35 Ca 0.09 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1xbi h THR 35 Cb 0.02 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1xbi h THR 35 CO -0.06 0.27 0.23 0.11 0.37 0.00 0.00 175.52 176.44 1xbi h LYS 36 N 0.93 0.57 -0.24 6.66 1.57 -1.19 -1.02 116.57 123.85 1xbi h LYS 36 Ca 0.22 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1xbi h LYS 36 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xbi h LYS 36 CO -0.02 0.45 -0.29 0.00 -0.57 0.00 0.00 179.45 179.01 1xbi h ALA 37 N 1.09 1.06 -0.31 3.86 0.00 -0.43 -1.19 119.26 123.35 1xbi h ALA 37 Ca 0.15 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1xbi h ALA 37 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xbi h ALA 37 CO -0.02 0.58 -0.15 0.28 0.00 0.00 0.00 179.25 179.93 1xbi h VAL 38 N 0.41 1.29 -0.45 0.00 2.07 -0.95 -1.70 116.25 116.93 1xbi h VAL 38 Ca 0.05 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1xbi h VAL 38 Cb 0.72 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1xbi h VAL 38 CO 0.06 0.40 0.07 -0.33 0.02 0.00 0.00 177.57 177.79 1xbi h GLU 39 N 0.40 0.69 -0.00 1.57 5.08 -0.95 -2.16 114.58 119.21 1xbi h GLU 39 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xbi h GLU 39 Cb 0.68 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xbi h GLU 39 CO 0.05 0.65 -0.29 -2.13 -1.00 0.00 0.00 179.01 176.29 1xbi n ARG 40 N -4.28 0.12 -1.50 2.33 0.63 -0.47 -4.96 116.66 108.54 1xbi n ARG 40 Ca 0.03 -0.05 -0.02 0.00 -0.92 0.00 0.00 57.85 56.89 1xbi n ARG 40 Cb 0.23 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 31.64 1xbi n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xbi n GLY 41 N 1.47 0.42 0.03 5.14 0.00 -0.77 -4.97 105.19 106.50 1xbi n GLY 41 Ca 0.07 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1xbi n GLY 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xbi n ILE 42 N -3.42 0.13 -2.58 -0.61 -5.35 -0.71 -4.91 119.36 101.91 1xbi n ILE 42 Ca -0.02 -0.25 -0.41 0.00 -0.27 0.00 0.00 62.75 61.79 1xbi n ILE 42 Cb 0.27 0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 38.41 1xbi n ILE 42 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xbi s ALA 43 N -3.22 3.31 -0.10 -1.28 0.00 -1.19 -4.51 121.76 114.77 1xbi s ALA 43 Ca 0.02 0.71 0.22 0.00 0.00 0.00 0.00 51.96 52.92 1xbi s ALA 43 Cb 0.14 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.68 1xbi s ALA 43 CO 0.83 -0.22 0.63 1.63 0.00 0.00 0.00 175.76 178.63 1xbi n LYS 44 N 3.11 0.64 -3.64 0.00 5.02 -0.11 -4.89 118.16 118.29 1xbi n LYS 44 Ca 0.05 -0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.20 1xbi n LYS 44 Cb 0.48 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1xbi n LYS 44 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xbi s LEU 45 N -4.84 -0.65 -0.13 -0.35 2.96 -1.23 -4.30 118.68 110.13 1xbi s LEU 45 Ca -0.06 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.91 1xbi s LEU 45 Cb 0.12 1.99 -0.02 0.00 0.50 0.00 0.00 46.19 48.78 1xbi s LEU 45 CO 0.87 -0.17 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.96 1xbi s VAL 46 N 1.27 3.56 -0.18 1.68 1.01 -0.31 -0.83 120.40 126.60 1xbi s VAL 46 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1xbi s VAL 46 Cb -0.04 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1xbi s VAL 46 CO -0.15 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.65 1xbi s ILE 47 N 0.14 2.15 -0.16 2.22 1.01 0.50 -1.32 121.20 125.73 1xbi s ILE 47 Ca -0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1xbi s ILE 47 Cb -0.14 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 1xbi s ILE 47 CO 0.04 0.53 -0.14 -0.63 0.00 0.00 0.00 174.94 174.74 1xbi s ILE 48 N 1.27 2.74 0.49 2.92 1.01 -0.09 -0.89 121.20 128.65 1xbi s ILE 48 Ca 0.04 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1xbi s ILE 48 Cb -0.13 -2.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 1xbi s ILE 48 CO -0.12 0.51 1.28 0.00 0.00 0.00 0.00 174.94 176.61 1xbi s ALA 49 N 0.85 2.95 -0.70 9.38 0.00 -0.20 -1.75 121.76 132.29 1xbi s ALA 49 Ca -0.04 1.18 0.25 0.00 0.00 0.00 0.00 51.96 53.35 1xbi s ALA 49 Cb -0.15 -3.49 0.58 0.00 0.00 0.00 0.00 23.12 20.06 1xbi s ALA 49 CO -0.00 -1.03 1.54 0.39 0.00 0.00 0.00 175.76 176.65 1xbi n GLU 50 N -0.65 0.26 -1.24 0.00 1.02 0.33 -4.23 120.64 116.13 1xbi n GLU 50 Ca 0.08 0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 1xbi n GLU 50 Cb 0.46 -1.73 0.13 0.00 -0.02 0.00 0.00 31.44 30.28 1xbi n GLU 50 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xbi n ASP 51 N -2.14 4.05 -4.71 1.62 5.75 -1.23 -4.69 116.55 115.20 1xbi n ASP 51 Ca 0.04 -3.78 -0.42 0.00 -0.01 0.00 0.00 54.79 50.62 1xbi n ASP 51 Cb 0.43 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 1xbi n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xbi s VAL 52 N -3.89 4.79 -0.03 2.12 1.01 -1.26 -4.89 120.40 118.25 1xbi s VAL 52 Ca 0.50 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 64.49 1xbi s VAL 52 Cb 0.43 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1xbi s VAL 52 CO 0.01 0.16 0.06 -0.54 0.00 0.00 0.00 175.10 174.79 1xbi s LYS 53 N 0.98 0.00 0.35 2.72 1.02 -1.26 -3.48 119.74 120.08 1xbi s LYS 53 Ca 0.52 0.23 -0.28 0.00 0.02 0.00 0.00 55.97 56.47 1xbi s LYS 53 Cb -0.22 -0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 36.79 1xbi s LYS 53 CO 0.28 -0.16 1.29 -1.25 -0.92 0.00 0.00 175.35 174.59 1xbi s PRO 54 N 1.02 4.24 0.53 -1.68 0.04 -1.26 -5.02 135.00 132.88 1xbi s PRO 54 Ca -0.08 2.15 0.20 0.00 0.04 0.00 0.00 61.00 63.31 1xbi s PRO 54 Cb -0.12 -2.96 1.37 0.00 0.04 0.00 0.00 34.50 32.83 1xbi s PRO 54 CO -0.04 -0.26 2.11 0.93 0.04 0.00 0.00 177.00 179.78 1xbi h GLU 55 N 3.15 0.00 -0.18 4.56 3.07 -1.98 -2.03 114.58 121.17 1xbi h GLU 55 Ca -0.49 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.42 1xbi h GLU 55 Cb 1.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1xbi h GLU 55 CO 0.64 0.00 0.34 1.05 -1.40 0.00 0.00 179.01 179.65 1xbi h GLU 56 N 0.00 0.00 -0.65 2.33 4.11 -1.97 -0.84 114.58 117.56 1xbi h GLU 56 Ca 0.08 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.55 1xbi h GLU 56 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1xbi h GLU 56 CO -0.00 0.00 0.37 -0.24 0.07 0.00 0.00 179.01 179.21 1xbi h VAL 57 N 0.00 1.02 -0.01 -1.06 3.04 -1.75 -3.22 116.25 114.27 1xbi h VAL 57 Ca 0.08 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1xbi h VAL 57 Cb 0.77 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1xbi h VAL 57 CO -0.00 0.13 -0.27 1.33 -1.01 0.00 0.00 177.57 177.75 1xbi n VAL 58 N -4.76 0.00 0.29 1.51 0.24 -0.58 -4.81 118.33 110.22 1xbi n VAL 58 Ca 0.07 -0.37 0.16 0.00 -2.04 0.00 0.00 64.34 62.16 1xbi n VAL 58 Cb 0.13 1.11 0.75 0.00 -1.47 0.00 0.00 33.84 34.37 1xbi n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xbi h ALA 59 N 1.88 1.00 0.00 2.33 0.00 -1.21 -1.28 119.26 121.98 1xbi h ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xbi h ALA 59 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xbi h ALA 59 CO 0.00 0.00 -0.35 1.12 0.00 0.00 0.00 179.25 180.02 1xbi h HIS 60 N 0.00 0.00 -0.08 0.00 2.07 -1.87 -3.39 115.15 111.87 1xbi h HIS 60 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1xbi h HIS 60 Cb 0.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.18 1xbi h HIS 60 CO 0.00 0.00 -0.04 -0.07 -3.07 0.00 0.00 177.93 174.75 1xbi h LEU 61 N 0.00 0.17 -0.52 6.12 3.38 -1.59 -2.47 115.31 120.40 1xbi h LEU 61 Ca 0.00 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1xbi h LEU 61 Cb 0.79 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1xbi h LEU 61 CO 0.00 0.54 0.24 -0.65 0.09 0.00 0.00 178.44 178.67 1xbi h PRO 62 N -0.20 0.46 -0.21 1.13 0.11 -1.77 0.40 132.00 131.92 1xbi h PRO 62 Ca 0.02 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.13 1xbi h PRO 62 Cb 0.48 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1xbi h PRO 62 CO 0.01 0.30 0.05 -0.92 -0.21 0.00 0.00 178.00 177.24 1xbi h TYR 63 N 0.47 0.09 -0.61 0.65 3.20 -1.83 -0.69 116.97 118.26 1xbi h TYR 63 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1xbi h TYR 63 Cb 0.19 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1xbi h TYR 63 CO -0.12 0.04 0.39 1.25 -1.64 0.00 0.00 178.16 178.08 1xbi h LEU 64 N 0.14 0.71 -0.03 2.82 5.85 -1.05 -0.78 115.31 122.97 1xbi h LEU 64 Ca 0.10 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1xbi h LEU 64 Cb 0.08 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1xbi h LEU 64 CO -0.12 0.53 0.02 0.00 -0.34 0.00 0.00 178.44 178.53 1xbi h GLU 66 N -0.07 0.89 0.00 0.00 5.08 -0.93 0.50 114.58 120.06 1xbi h GLU 66 Ca 0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1xbi h GLU 66 Cb 0.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1xbi h GLU 66 CO -0.00 0.59 -0.18 0.93 -1.00 0.00 0.00 179.01 179.35 1xbi h GLU 67 N 0.92 0.00 -0.40 2.33 4.39 -0.91 -2.59 114.58 118.32 1xbi h GLU 67 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1xbi h GLU 67 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1xbi h GLU 67 CO -0.15 0.18 0.00 1.63 -1.16 0.00 0.00 179.01 179.51 1xbi n LYS 68 N -3.36 2.40 -2.22 2.33 4.76 -0.79 -4.99 118.16 116.28 1xbi n LYS 68 Ca 0.00 -2.15 -0.15 0.00 -2.87 0.00 0.00 58.31 53.14 1xbi n LYS 68 Cb 0.40 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.16 1xbi n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xbi n GLY 69 N 1.13 -0.12 3.67 0.72 0.00 -0.50 -5.00 105.19 105.09 1xbi n GLY 69 Ca 0.16 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1xbi n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xbi s ILE 70 N -2.76 4.97 0.47 -0.61 1.01 0.05 -5.02 121.20 119.31 1xbi s ILE 70 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1xbi s ILE 70 Cb 0.00 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.16 1xbi s ILE 70 CO 0.00 0.46 1.18 -2.84 0.00 0.00 0.00 174.94 173.74 1xbi s PRO 71 N 0.31 3.68 0.04 2.79 0.02 -1.26 -4.38 135.00 136.20 1xbi s PRO 71 Ca 0.05 1.79 -0.09 0.00 0.02 0.00 0.00 61.00 62.77 1xbi s PRO 71 Cb -0.12 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.04 1xbi s PRO 71 CO -0.00 -0.63 0.18 1.52 -0.33 0.00 0.00 177.00 177.74 1xbi s TYR 72 N -1.55 0.07 0.00 6.54 -0.85 -1.26 -1.16 117.35 119.15 1xbi s TYR 72 Ca 0.65 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.90 1xbi s TYR 72 Cb -0.29 -0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.01 1xbi s TYR 72 CO 0.35 -0.42 0.00 0.00 -1.52 0.00 0.00 175.55 173.95 1xbi n ALA 73 N 0.68 0.00 -2.56 9.51 0.00 -0.44 -4.95 120.51 122.75 1xbi n ALA 73 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1xbi n ALA 73 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 1xbi n ALA 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xbi s TYR 74 N -6.23 1.13 0.14 0.00 2.02 -1.26 -0.92 117.35 112.24 1xbi s TYR 74 Ca 0.00 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 1xbi s TYR 74 Cb 0.00 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1xbi s TYR 74 CO 0.00 0.04 -0.12 0.14 -1.57 0.00 0.00 175.55 174.03 1xbi s VAL 75 N -2.04 1.32 0.21 0.71 -7.23 -0.71 -4.67 120.40 107.99 1xbi s VAL 75 Ca 0.03 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1xbi s VAL 75 Cb -0.05 -1.73 0.16 0.00 0.56 0.00 0.00 36.38 35.32 1xbi s VAL 75 CO 0.01 -0.58 1.83 0.00 -0.31 0.00 0.00 175.10 176.06 1xbi h ALA 76 N 3.08 0.99 -3.20 1.32 0.00 -1.94 0.96 119.26 120.47 1xbi h ALA 76 Ca -0.38 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1xbi h ALA 76 Cb 1.20 -0.31 -0.35 0.00 0.00 0.00 0.00 17.79 18.33 1xbi h ALA 76 CO 0.57 0.49 -0.84 0.45 0.00 0.00 0.00 179.25 179.93 1xbi s SER 77 N -6.07 3.46 0.46 0.00 0.15 -1.26 -3.54 113.70 106.89 1xbi s SER 77 Ca -0.13 -0.77 0.21 0.00 0.70 0.00 0.00 55.95 55.96 1xbi s SER 77 Cb 0.15 -1.51 1.10 0.00 -1.71 0.00 0.00 66.02 64.05 1xbi s SER 77 CO 0.80 -0.04 1.95 0.07 1.20 0.00 0.00 173.24 177.23 1xbi h LYS 78 N 7.92 0.00 0.23 5.44 2.10 -1.86 0.32 116.57 130.73 1xbi h LYS 78 Ca -0.41 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1xbi h LYS 78 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1xbi h LYS 78 CO 0.61 0.22 -0.17 0.37 -2.00 0.00 0.00 179.45 178.47 1xbi h GLN 79 N 0.00 -0.39 -0.85 0.07 5.75 -1.91 -0.76 115.11 117.01 1xbi h GLN 79 Ca -0.00 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1xbi h GLN 79 Cb 0.50 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 1xbi h GLN 79 CO 0.03 -0.26 0.46 -0.44 -2.65 0.00 0.00 178.83 175.96 1xbi h ASP 80 N -0.41 1.07 -0.51 -0.69 3.32 -1.83 -0.87 116.42 116.51 1xbi h ASP 80 Ca -0.01 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1xbi h ASP 80 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1xbi h ASP 80 CO -0.00 0.87 0.34 0.25 -1.72 0.00 0.00 179.24 178.98 1xbi h LEU 81 N 1.19 0.59 -0.91 1.55 5.85 -0.83 -0.59 115.31 122.16 1xbi h LEU 81 Ca 0.30 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1xbi h LEU 81 Cb 0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1xbi h LEU 81 CO -0.05 0.43 0.36 1.23 -0.34 0.00 0.00 178.44 180.07 1xbi h GLY 82 N 0.69 1.23 1.33 3.75 0.00 -0.92 -1.66 103.07 107.49 1xbi h GLY 82 Ca 0.19 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1xbi h GLY 82 CO -0.04 0.59 -0.13 1.70 0.00 0.00 0.00 176.54 178.66 1xbi h LYS 83 N 1.13 0.79 -0.52 4.80 3.64 -0.83 -0.04 116.57 125.55 1xbi h LYS 83 Ca 0.27 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1xbi h LYS 83 Cb 0.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1xbi h LYS 83 CO -0.03 0.88 0.11 0.00 -2.27 0.00 0.00 179.45 178.14 1xbi h ALA 84 N 1.14 1.22 0.00 5.00 0.00 -0.73 -1.26 119.26 124.62 1xbi h ALA 84 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xbi h ALA 84 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xbi h ALA 84 CO 0.04 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1xbi n ALA 85 N -2.46 2.39 -0.79 0.00 0.00 -0.66 -3.68 120.51 115.31 1xbi n ALA 85 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xbi n ALA 85 Cb 0.23 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1xbi n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbi n GLY 86 N 0.47 0.53 3.98 0.00 0.00 -0.48 -5.05 105.19 104.64 1xbi n GLY 86 Ca 0.10 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 1xbi n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xbi s LEU 87 N 0.00 3.63 -0.02 0.99 1.43 -0.08 -5.01 118.68 119.62 1xbi s LEU 87 Ca 0.00 -0.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1xbi s LEU 87 Cb 0.00 -2.53 0.49 0.00 0.03 0.00 0.00 46.19 44.18 1xbi s LEU 87 CO 0.00 -0.70 1.41 -0.62 0.23 0.00 0.00 176.35 176.67 1xbi n GLU 88 N -1.76 2.92 -4.46 1.70 1.02 -1.26 -3.95 120.64 114.86 1xbi n GLU 88 Ca 0.06 -2.41 -0.22 0.00 -0.02 0.00 0.00 57.16 54.57 1xbi n GLU 88 Cb 0.60 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 1xbi n GLU 88 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xbi s VAL 89 N -1.19 1.12 0.80 2.62 -7.23 -1.26 -5.01 120.40 110.25 1xbi s VAL 89 Ca 0.37 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 1xbi s VAL 89 Cb 0.20 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.47 1xbi s VAL 89 CO 0.23 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.11 1xbi s ALA 90 N -3.30 2.11 -0.06 1.32 0.00 -1.26 -4.21 121.76 116.37 1xbi s ALA 90 Ca 0.35 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1xbi s ALA 90 Cb 0.08 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1xbi s ALA 90 CO 0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 175.76 174.00 1xbi s ALA 91 N -2.94 0.83 0.17 0.00 0.00 -0.49 -4.74 121.76 114.59 1xbi s ALA 91 Ca 0.61 -0.17 0.27 0.00 0.00 0.00 0.00 51.96 52.67 1xbi s ALA 91 Cb -0.17 -0.54 1.10 0.00 0.00 0.00 0.00 23.12 23.51 1xbi s ALA 91 CO 0.56 -0.10 1.90 0.66 0.00 0.00 0.00 175.76 178.77 1xbi h SER 92 N 7.42 0.00 -4.36 0.00 4.64 -1.94 -3.38 113.55 115.93 1xbi h SER 92 Ca -0.33 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1xbi h SER 92 Cb 1.15 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.02 1xbi h SER 92 CO 0.43 0.17 0.41 -0.94 -0.87 0.00 0.00 176.83 176.03 1xbi s SER 93 N -6.08 -0.48 0.01 4.97 1.04 -1.26 -1.04 113.70 110.87 1xbi s SER 93 Ca 0.00 0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.99 1xbi s SER 93 Cb 0.10 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1xbi s SER 93 CO 0.61 -0.42 -0.03 -0.69 0.98 0.00 0.00 173.24 173.69 1xbi s VAL 94 N -1.03 0.21 -0.14 5.02 1.01 -0.07 -0.76 120.40 124.63 1xbi s VAL 94 Ca -0.05 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1xbi s VAL 94 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 1xbi s VAL 94 CO 0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 175.10 174.84 1xbi s ALA 95 N -0.55 2.45 -0.20 5.51 0.00 -0.33 -0.37 121.76 128.27 1xbi s ALA 95 Ca -0.04 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 1xbi s ALA 95 Cb -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1xbi s ALA 95 CO -0.00 0.03 1.06 0.42 0.00 0.00 0.00 175.76 177.27 1xbi s ILE 96 N 0.72 4.64 -0.27 0.00 1.01 -0.01 -0.94 121.20 126.35 1xbi s ILE 96 Ca -0.07 1.97 -0.06 0.00 0.00 0.00 0.00 60.65 62.49 1xbi s ILE 96 Cb -0.16 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 37.90 1xbi s ILE 96 CO 0.01 -0.15 -0.29 -0.38 0.00 0.00 0.00 174.94 174.13 1xbi n ILE 97 N 5.21 1.50 -3.71 2.92 2.08 -0.10 -0.93 119.36 126.33 1xbi n ILE 97 Ca 0.12 -0.48 -0.27 0.00 0.56 0.00 0.00 62.75 62.67 1xbi n ILE 97 Cb 0.46 -1.64 -0.17 0.00 -0.75 0.00 0.00 39.64 37.55 1xbi n ILE 97 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1xbi s ASN 98 N -6.97 2.81 0.63 4.38 -0.87 -0.77 -4.67 114.94 109.48 1xbi s ASN 98 Ca -0.37 -0.79 -0.11 0.00 -1.57 0.00 0.00 52.86 50.03 1xbi s ASN 98 Cb 0.12 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.25 40.79 1xbi s ASN 98 CO 0.54 -0.32 1.03 -1.83 -2.57 0.00 0.00 177.10 173.96 1xbi s GLU 99 N 1.91 3.42 0.10 -0.60 1.03 -1.26 -0.50 118.70 122.80 1xbi s GLU 99 Ca -0.00 0.64 0.09 0.00 0.03 0.00 0.00 54.97 55.73 1xbi s GLU 99 Cb -0.17 -2.09 -0.19 0.00 -0.80 0.00 0.00 34.13 30.88 1xbi s GLU 99 CO -0.08 -0.66 1.15 0.78 -1.33 0.00 0.00 175.26 175.12 1xbi h GLY 100 N -0.36 0.00 -6.72 -3.83 0.00 -1.83 -3.38 103.07 86.94 1xbi h GLY 100 Ca -0.44 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.54 1xbi h GLY 100 CO 0.62 0.00 -0.65 -0.35 0.00 0.00 0.00 176.54 176.17 1xbi s ASP 101 N -6.54 1.68 0.10 0.19 3.68 -1.26 -5.01 116.67 109.51 1xbi s ASP 101 Ca -0.00 -0.46 -0.22 0.00 2.13 0.00 0.00 52.55 53.99 1xbi s ASP 101 Cb 0.09 0.33 -0.13 0.00 -1.45 0.00 0.00 42.92 41.76 1xbi s ASP 101 CO 0.82 -0.35 1.74 0.00 0.13 0.00 0.00 175.17 177.51 1xbi h ALA 102 N 8.31 0.04 -0.23 3.66 0.00 -1.99 -1.07 119.26 127.98 1xbi h ALA 102 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1xbi h ALA 102 Cb 1.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xbi h ALA 102 CO 0.31 -0.47 -0.19 1.05 0.00 0.00 0.00 179.25 179.95 1xbi h GLU 103 N 0.04 0.53 -0.36 0.00 -0.00 -2.00 -1.54 114.58 111.26 1xbi h GLU 103 Ca 0.01 -0.27 0.05 0.00 -0.00 0.00 0.00 59.36 59.15 1xbi h GLU 103 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.71 1xbi h GLU 103 CO -0.01 0.85 0.09 0.93 -0.00 0.00 0.00 179.01 180.87 1xbi h GLU 104 N 0.23 0.22 -0.47 1.06 4.39 -1.97 -2.37 114.58 115.66 1xbi h GLU 104 Ca 0.04 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1xbi h GLU 104 Cb 0.73 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 1xbi h GLU 104 CO 0.05 0.14 0.14 1.25 -1.16 0.00 0.00 179.01 179.44 1xbi h LEU 105 N 0.23 0.11 -1.27 1.33 5.85 -0.97 -0.98 115.31 119.60 1xbi h LEU 105 Ca 0.17 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1xbi h LEU 105 Cb 0.17 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xbi h LEU 105 CO -0.20 0.09 -0.08 0.50 -0.34 0.00 0.00 178.44 178.41 1xbi h LYS 106 N 0.30 0.39 -0.09 1.25 3.64 -1.05 -0.40 116.57 120.61 1xbi h LYS 106 Ca 0.23 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.33 1xbi h LYS 106 Cb 0.26 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1xbi h LYS 106 CO -0.26 0.49 -0.73 0.28 -2.27 0.00 0.00 179.45 176.96 1xbi h VAL 107 N 0.37 1.36 0.10 2.00 2.07 -1.25 -1.76 116.25 119.14 1xbi h VAL 107 Ca 0.08 -2.11 -0.27 0.00 0.82 0.00 0.00 66.70 65.22 1xbi h VAL 107 Cb 0.38 2.08 0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1xbi h VAL 107 CO 0.02 0.64 -1.10 0.25 0.02 0.00 0.00 177.57 177.40 1xbi h LEU 108 N 0.31 0.79 -0.86 2.57 5.85 -0.83 -0.50 115.31 122.65 1xbi h LEU 108 Ca -0.03 -0.83 0.11 0.00 0.84 0.00 0.00 57.88 57.97 1xbi h LEU 108 Cb 1.31 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1xbi h LEU 108 CO 0.13 1.54 0.49 0.40 -0.34 0.00 0.00 178.44 180.65 1xbi h ILE 109 N 0.16 0.87 -0.31 4.05 2.04 -0.96 -0.75 117.51 122.61 1xbi h ILE 109 Ca -0.17 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1xbi h ILE 109 Cb 1.80 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1xbi h ILE 109 CO 0.21 0.14 -0.08 -0.08 0.00 0.00 0.00 178.15 178.35 1xbi h GLU 110 N 0.78 0.60 -0.43 2.37 4.57 -1.09 -0.50 114.58 120.88 1xbi h GLU 110 Ca 0.43 -0.23 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 1xbi h GLU 110 Cb 0.45 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 1xbi h GLU 110 CO -0.28 0.79 -0.15 0.87 -1.18 0.00 0.00 179.01 179.06 1xbi h LYS 111 N 0.37 -0.06 -0.82 1.92 1.57 -0.56 -1.82 116.57 117.17 1xbi h LYS 111 Ca 0.08 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1xbi h LYS 111 Cb 0.57 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1xbi h LYS 111 CO 0.03 -0.04 0.54 0.28 -0.57 0.00 0.00 179.45 179.69 1xbi h VAL 112 N -0.06 1.11 -0.39 0.50 2.07 -0.79 -2.35 116.25 116.34 1xbi h VAL 112 Ca 0.21 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1xbi h VAL 112 Cb 0.38 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1xbi h VAL 112 CO -0.47 0.18 0.15 0.78 0.02 0.00 0.00 177.57 178.22 1xbi h ASN 113 N 0.99 0.17 -0.78 0.57 2.35 -0.31 -1.12 115.58 117.44 1xbi h ASN 113 Ca 0.33 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 56.07 1xbi h ASN 113 Cb 0.08 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1xbi h ASN 113 CO -0.10 0.13 0.29 0.58 -1.65 0.00 0.00 177.43 176.67 1xbi h VAL 114 N 0.31 1.26 -0.89 2.81 2.07 -1.08 -2.93 116.25 117.80 1xbi h VAL 114 Ca 0.18 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1xbi h VAL 114 Cb 0.15 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1xbi h VAL 114 CO -0.17 0.35 0.59 -0.07 0.02 0.00 0.00 177.57 178.29 1xbi h LEU 115 N 1.15 1.02 -0.53 2.57 3.38 -0.72 -2.07 115.31 120.12 1xbi h LEU 115 Ca 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xbi h LEU 115 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xbi h LEU 115 CO -0.02 0.74 0.00 2.29 0.09 0.00 0.00 178.44 181.54 1xbi n LYS 116 N -4.40 1.35 0.00 1.13 2.85 -0.59 -4.82 118.16 113.68 1xbi n LYS 116 Ca 0.10 -0.52 0.16 0.00 -1.05 0.00 0.00 58.31 57.00 1xbi n LYS 116 Cb 0.02 -1.37 0.91 0.00 -0.65 0.00 0.00 35.03 33.95 1xbi n LYS 116 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39