#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu9 n ALA 2 N 0.00 0.00 -1.97 3.04 0.00 -1.26 -4.97 120.51 115.35 1bu9 n ALA 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1bu9 n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1bu9 n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bu9 n GLU 3 N 0.00 -0.57 -1.24 0.00 0.28 -1.26 -4.85 120.64 113.00 1bu9 n GLU 3 Ca 0.00 0.40 -0.31 0.00 -0.16 0.00 0.00 57.16 57.09 1bu9 n GLU 3 Cb 0.00 -0.62 0.10 0.00 1.43 0.00 0.00 31.44 32.34 1bu9 n GLU 3 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1bu9 s PRO 4 N -1.13 2.18 0.00 3.44 0.04 -1.26 -5.02 135.00 133.24 1bu9 s PRO 4 Ca 0.10 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1bu9 s PRO 4 Cb -0.01 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1bu9 s PRO 4 CO 0.27 -1.71 0.00 1.87 0.04 0.00 0.00 177.00 177.47 1bu9 n TRP 5 N -3.51 0.00 -0.31 0.56 -0.00 -1.26 -4.84 117.44 108.08 1bu9 n TRP 5 Ca 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.61 1bu9 n TRP 5 Cb 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.90 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bu9 n GLY 6 N 0.00 -1.60 0.38 5.87 0.00 -1.26 0.29 105.19 108.87 1bu9 n GLY 6 Ca 0.00 0.92 0.15 0.00 0.00 0.00 0.00 46.02 47.09 1bu9 n GLY 6 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bu9 h ASN 7 N 0.00 0.59 0.00 1.61 2.35 -1.98 -1.96 115.58 116.20 1bu9 h ASN 7 Ca 0.33 0.05 -0.33 0.00 -0.55 0.00 0.00 56.30 55.80 1bu9 h ASN 7 Cb 0.54 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 1bu9 h ASN 7 CO -0.84 0.26 -1.91 -0.62 -1.65 0.00 0.00 177.43 172.67 1bu9 n GLU 8 N -4.58 0.57 0.00 0.81 -0.58 0.84 -3.71 120.64 113.99 1bu9 n GLU 8 Ca 0.19 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1bu9 n GLU 8 Cb 0.58 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1bu9 n GLU 8 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1bu9 n LEU 9 N -4.34 0.00 -0.34 -4.62 7.94 0.75 -0.03 117.00 116.35 1bu9 n LEU 9 Ca -0.42 0.91 0.23 0.00 -1.11 0.00 0.00 56.01 55.62 1bu9 n LEU 9 Cb 0.76 -0.41 0.46 0.00 0.53 0.00 0.00 43.42 44.76 1bu9 n LEU 9 CO 0.10 -0.41 1.14 0.00 -1.11 0.00 0.00 177.39 177.11 1bu9 h ALA 10 N -1.94 1.97 -3.00 1.96 0.00 -1.52 1.68 119.26 118.41 1bu9 h ALA 10 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bu9 h ALA 10 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bu9 h ALA 10 CO 0.00 -0.53 0.00 0.43 0.00 0.00 0.00 179.25 179.15 1bu9 n SER 11 N -4.95 0.00 -0.23 0.00 7.64 -0.93 0.25 113.62 115.41 1bu9 n SER 11 Ca 0.30 0.28 -0.05 0.00 1.01 0.00 0.00 58.87 60.41 1bu9 n SER 11 Cb 0.93 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.15 1bu9 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bu9 h ALA 12 N -2.11 -0.00 -0.08 -0.43 0.00 0.07 1.46 119.26 118.17 1bu9 h ALA 12 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1bu9 h ALA 12 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1bu9 h ALA 12 CO 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 179.25 178.16 1bu9 h ALA 13 N 1.06 -0.81 -0.09 0.00 0.00 0.25 0.65 119.26 120.33 1bu9 h ALA 13 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1bu9 h ALA 13 Cb 0.56 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1bu9 h ALA 13 CO -0.72 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 177.58 1bu9 n ALA 14 N -2.90 2.70 0.14 0.00 0.00 0.70 0.28 120.51 121.43 1bu9 n ALA 14 Ca -0.05 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.13 1bu9 n ALA 14 Cb 0.30 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1bu9 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 15 N 0.08 3.74 -0.39 0.00 0.63 0.49 -4.58 116.66 116.64 1bu9 n ARG 15 Ca 0.04 -0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1bu9 n ARG 15 Cb 0.38 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.50 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bu9 n GLY 16 N 0.77 1.66 3.14 5.14 0.00 -0.01 -4.97 105.19 110.92 1bu9 n GLY 16 Ca 0.01 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1bu9 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu9 s ASP 17 N -2.19 5.90 0.01 1.61 1.11 0.19 -4.92 116.67 118.37 1bu9 s ASP 17 Ca 0.00 -3.33 -0.25 0.00 0.18 0.00 0.00 52.55 49.15 1bu9 s ASP 17 Cb 0.00 -1.94 -0.14 0.00 1.07 0.00 0.00 42.92 41.91 1bu9 s ASP 17 CO 0.00 -0.29 1.08 0.25 1.18 0.00 0.00 175.17 177.39 1bu9 h LEU 18 N 6.56 -0.72 -0.35 1.23 5.85 -1.90 -3.02 115.31 122.97 1bu9 h LEU 18 Ca 0.10 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1bu9 h LEU 18 Cb 0.89 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 1bu9 h LEU 18 CO 0.80 -0.33 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.13 1bu9 h GLU 19 N -1.18 -0.04 -0.90 1.25 4.39 -1.96 -0.74 114.58 115.40 1bu9 h GLU 19 Ca -0.09 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.85 1bu9 h GLU 19 Cb 0.67 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.17 1bu9 h GLU 19 CO 0.14 -0.02 0.10 0.37 -1.16 0.00 0.00 179.01 178.44 1bu9 h GLN 20 N -0.04 0.09 -0.34 2.33 4.15 -1.96 0.92 115.11 120.26 1bu9 h GLN 20 Ca 0.17 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.63 1bu9 h GLN 20 Cb 0.30 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1bu9 h GLN 20 CO -0.38 0.06 0.12 -0.07 -1.93 0.00 0.00 178.83 176.63 1bu9 h LEU 21 N 0.09 0.13 0.01 -2.39 3.38 -1.00 0.12 115.31 115.64 1bu9 h LEU 21 Ca 0.54 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.56 1bu9 h LEU 21 Cb 1.09 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1bu9 h LEU 21 CO -0.77 0.11 -0.20 0.74 0.09 0.00 0.00 178.44 178.41 1bu9 h THR 22 N 0.27 0.00 -0.20 0.22 2.02 0.12 0.96 112.91 116.29 1bu9 h THR 22 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.39 1bu9 h THR 22 Cb 0.13 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.46 1bu9 h THR 22 CO -0.16 0.00 -0.34 -1.28 0.37 0.00 0.00 175.52 174.11 1bu9 h SER 23 N -0.26 -1.08 -0.94 4.18 0.87 -1.18 0.55 113.55 115.70 1bu9 h SER 23 Ca 0.00 0.16 0.16 0.00 -1.23 0.00 0.00 61.79 60.89 1bu9 h SER 23 Cb 0.27 0.47 -0.08 0.00 -0.44 0.00 0.00 62.40 62.62 1bu9 h SER 23 CO -0.13 -0.36 0.60 0.25 -0.53 0.00 0.00 176.83 176.66 1bu9 h LEU 24 N -0.37 0.67 -0.61 2.23 5.85 -0.34 0.15 115.31 122.89 1bu9 h LEU 24 Ca 0.11 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1bu9 h LEU 24 Cb 0.56 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1bu9 h LEU 24 CO -0.41 0.30 0.37 0.25 -0.34 0.00 0.00 178.44 178.61 1bu9 h LEU 25 N 0.69 0.74 -1.80 2.25 5.85 0.32 0.11 115.31 123.47 1bu9 h LEU 25 Ca 0.49 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.22 1bu9 h LEU 25 Cb 0.83 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1bu9 h LEU 25 CO -0.25 0.58 0.48 1.56 -0.34 0.00 0.00 178.44 180.47 1bu9 h GLN 26 N 0.83 0.00 0.00 1.25 1.08 -0.13 -3.04 115.11 115.10 1bu9 h GLN 26 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1bu9 h GLN 26 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1bu9 h GLN 26 CO -0.04 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.93 1bu9 n ASN 27 N -3.23 0.00 0.00 1.46 3.02 0.01 -5.09 115.26 111.43 1bu9 n ASN 27 Ca 0.04 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1bu9 n ASN 27 Cb 0.59 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1bu9 n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bu9 n ASN 28 N -0.95 0.00 -3.15 6.41 5.15 -1.11 -5.15 115.26 116.46 1bu9 n ASN 28 Ca 0.00 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.03 1bu9 n ASN 28 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bu9 s VAL 29 N -0.20 -0.54 -0.97 3.44 -7.23 -1.26 -4.83 120.40 108.81 1bu9 s VAL 29 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1bu9 s VAL 29 Cb 0.00 -0.92 -0.29 0.00 0.56 0.00 0.00 36.38 35.73 1bu9 s VAL 29 CO 0.00 0.00 2.32 -3.20 -0.31 0.00 0.00 175.10 173.91 1bu9 n ASN 30 N 5.42 -0.69 0.23 4.85 4.05 -1.26 -4.62 115.26 123.24 1bu9 n ASN 30 Ca -0.03 -0.41 0.17 0.00 0.45 0.00 0.00 54.58 54.76 1bu9 n ASN 30 Cb 0.53 -0.74 0.76 0.00 1.23 0.00 0.00 39.78 41.57 1bu9 n ASN 30 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1bu9 h VAL 31 N 7.34 0.15 -0.02 3.44 2.07 -1.94 3.54 116.25 130.83 1bu9 h VAL 31 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1bu9 h VAL 31 Cb 1.17 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1bu9 h VAL 31 CO 1.51 0.00 0.00 0.59 0.02 0.00 0.00 177.57 179.69 1bu9 n ASN 32 N -3.22 1.22 -3.80 0.57 4.13 -1.26 -4.48 115.26 108.42 1bu9 n ASN 32 Ca 0.02 -1.42 -0.16 0.00 1.68 0.00 0.00 54.58 54.70 1bu9 n ASN 32 Cb 0.51 -0.01 0.06 0.00 -1.54 0.00 0.00 39.78 38.80 1bu9 n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bu9 n ALA 33 N -0.04 0.27 -3.60 5.41 0.00 1.17 -4.84 120.51 118.88 1bu9 n ALA 33 Ca 0.20 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1bu9 n ALA 33 Cb 0.31 -0.52 -0.16 0.00 0.00 0.00 0.00 19.45 19.08 1bu9 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bu9 s GLN 34 N -2.48 0.07 0.85 0.00 -0.21 -1.26 -3.93 119.66 112.70 1bu9 s GLN 34 Ca 0.22 0.22 -0.14 0.00 0.02 0.00 0.00 55.36 55.67 1bu9 s GLN 34 Cb 0.00 -1.09 0.20 0.00 1.00 0.00 0.00 33.01 33.12 1bu9 s GLN 34 CO 0.29 -0.53 1.09 0.09 -2.12 0.00 0.00 175.29 174.11 1bu9 n ASN 35 N 5.30 -0.23 0.01 5.90 4.13 -1.19 -4.82 115.26 124.37 1bu9 n ASN 35 Ca -0.05 -1.35 0.04 0.00 1.68 0.00 0.00 54.58 54.89 1bu9 n ASN 35 Cb 0.49 -0.85 0.17 0.00 -1.54 0.00 0.00 39.78 38.05 1bu9 n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bu9 n GLY 36 N -2.50 -0.75 0.37 7.41 0.00 -1.26 -0.52 105.19 107.95 1bu9 n GLY 36 Ca 0.14 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1bu9 n GLY 36 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bu9 n PHE 37 N -1.55 0.14 -2.15 1.61 3.01 -1.26 -4.83 117.46 112.42 1bu9 n PHE 37 Ca 0.01 -0.07 -0.18 0.00 1.01 0.00 0.00 57.45 58.22 1bu9 n PHE 37 Cb 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1bu9 n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bu9 n GLY 38 N 1.02 0.16 2.95 1.37 0.00 0.32 -4.46 105.19 106.56 1bu9 n GLY 38 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1bu9 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bu9 s ARG 39 N -4.59 1.75 0.50 1.61 1.81 -1.26 -2.72 118.95 116.05 1bu9 s ARG 39 Ca 0.00 -0.71 -0.23 0.00 -1.72 0.00 0.00 55.73 53.06 1bu9 s ARG 39 Cb 0.00 -2.26 -0.06 0.00 -0.45 0.00 0.00 34.95 32.18 1bu9 s ARG 39 CO 0.00 -0.44 1.36 0.95 -0.68 0.00 0.00 175.30 176.49 1bu9 s THR 40 N 1.50 2.19 0.63 0.02 -4.23 -1.25 -3.14 115.64 111.35 1bu9 s THR 40 Ca -0.01 0.16 0.26 0.00 -1.18 0.00 0.00 61.69 60.92 1bu9 s THR 40 Cb -0.16 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 70.91 1bu9 s THR 40 CO -0.08 0.01 1.76 0.00 -0.54 0.00 0.00 174.62 175.77 1bu9 h ALA 41 N 1.87 1.94 0.00 3.99 0.00 -1.80 2.63 119.26 127.88 1bu9 h ALA 41 Ca -0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1bu9 h ALA 41 Cb 1.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1bu9 h ALA 41 CO 0.59 -0.71 -0.05 1.25 0.00 0.00 0.00 179.25 180.33 1bu9 h LEU 42 N 0.00 0.00 0.00 0.00 5.85 -1.86 0.58 115.31 119.88 1bu9 h LEU 42 Ca 0.15 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1bu9 h LEU 42 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1bu9 h LEU 42 CO -0.00 0.05 -1.31 0.00 -0.34 0.00 0.00 178.44 176.84 1bu9 n GLN 43 N -3.15 0.62 -0.04 1.25 6.02 0.87 -4.25 117.38 118.70 1bu9 n GLN 43 Ca 0.01 0.14 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 1bu9 n GLN 43 Cb 0.38 -1.79 -0.13 0.00 1.02 0.00 0.00 30.24 29.72 1bu9 n GLN 43 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1bu9 n VAL 44 N -2.75 1.68 0.00 5.09 0.24 -0.57 -4.91 118.33 117.12 1bu9 n VAL 44 Ca -0.06 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1bu9 n VAL 44 Cb 0.71 -1.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.27 1bu9 n VAL 44 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1bu9 n MET 45 N -3.76 0.00 -1.53 7.34 0.00 0.20 -4.22 117.12 115.14 1bu9 n MET 45 Ca -0.34 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.16 1bu9 n MET 45 Cb 0.94 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 34.02 1bu9 n MET 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1bu9 n LYS 46 N 0.00 0.34 0.31 3.17 3.00 0.79 -4.65 118.16 121.11 1bu9 n LYS 46 Ca 0.00 -0.40 0.13 0.00 -0.00 0.00 0.00 58.31 58.04 1bu9 n LYS 46 Cb 0.00 -2.47 0.68 0.00 0.00 0.00 0.00 35.03 33.24 1bu9 n LYS 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1bu9 h LEU 47 N 17.14 0.00 -0.82 3.14 3.38 -1.87 0.10 115.31 136.38 1bu9 h LEU 47 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.11 1bu9 h LEU 47 Cb 1.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 1bu9 h LEU 47 CO 1.29 0.00 -0.30 1.23 0.09 0.00 0.00 178.44 180.74 1bu9 h GLY 48 N 0.00 0.23 -4.26 0.83 0.00 -1.96 -3.32 103.07 94.59 1bu9 h GLY 48 Ca 0.00 0.40 -0.62 0.00 0.00 0.00 0.00 47.33 47.11 1bu9 h GLY 48 CO 0.00 -0.25 -0.60 0.21 0.00 0.00 0.00 176.54 175.90 1bu9 s ASN 49 N -5.26 5.39 -0.22 0.19 2.47 0.35 -4.96 114.94 112.91 1bu9 s ASN 49 Ca -0.14 -0.10 -0.18 0.00 0.42 0.00 0.00 52.86 52.86 1bu9 s ASN 49 Cb 0.20 -1.39 -0.18 0.00 -1.45 0.00 0.00 41.25 38.43 1bu9 s ASN 49 CO 0.73 0.13 0.07 -0.81 -3.72 0.00 0.00 177.10 173.50 1bu9 n PRO 50 N 0.17 0.59 -0.66 0.43 -0.04 -1.25 -4.03 135.00 130.21 1bu9 n PRO 50 Ca -0.09 0.46 0.51 0.00 -0.04 0.00 0.00 63.50 64.34 1bu9 n PRO 50 Cb 0.53 -1.67 0.78 0.00 -0.04 0.00 0.00 33.50 33.09 1bu9 n PRO 50 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1bu9 n GLU 51 N -4.27 0.00 -0.06 0.54 4.07 -1.26 -0.76 120.64 118.91 1bu9 n GLU 51 Ca -0.38 1.05 -0.02 0.00 -0.06 0.00 0.00 57.16 57.76 1bu9 n GLU 51 Cb 0.78 -2.45 -0.01 0.00 -0.06 0.00 0.00 31.44 29.69 1bu9 n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1bu9 n ILE 52 N -3.82 -0.10 -0.33 6.31 2.08 -1.26 0.69 119.36 122.94 1bu9 n ILE 52 Ca 0.42 1.54 -0.01 0.00 0.56 0.00 0.00 62.75 65.26 1bu9 n ILE 52 Cb 1.95 -2.03 0.12 0.00 -0.75 0.00 0.00 39.64 38.93 1bu9 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bu9 h ALA 53 N -0.73 1.17 -0.41 -1.39 0.00 -1.22 -2.64 119.26 114.05 1bu9 h ALA 53 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1bu9 h ALA 53 Cb 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.45 1bu9 h ALA 53 CO -0.13 0.43 -0.51 -0.09 0.00 0.00 0.00 179.25 178.95 1bu9 h ARG 54 N 1.12 -0.36 -0.98 0.00 2.43 0.42 2.09 114.38 119.09 1bu9 h ARG 54 Ca 0.35 0.02 0.34 0.00 -0.81 0.00 0.00 59.98 59.89 1bu9 h ARG 54 Cb 0.00 0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 29.47 1bu9 h ARG 54 CO -0.12 -0.24 0.42 -0.09 -1.51 0.00 0.00 179.97 178.43 1bu9 h ARG 55 N -0.38 0.12 0.17 0.20 9.65 0.28 0.60 114.38 125.03 1bu9 h ARG 55 Ca 0.10 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.74 1bu9 h ARG 55 Cb 0.60 -0.03 0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1bu9 h ARG 55 CO -0.59 0.08 -0.99 -0.07 2.80 0.00 0.00 179.97 181.19 1bu9 h LEU 56 N 0.12 0.57 -1.55 3.80 3.38 0.02 -3.31 115.31 118.34 1bu9 h LEU 56 Ca 0.74 -0.95 0.12 0.00 0.09 0.00 0.00 57.88 57.88 1bu9 h LEU 56 Cb 1.76 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 1bu9 h LEU 56 CO -0.73 1.48 0.46 -0.07 0.09 0.00 0.00 178.44 179.67 1bu9 h LEU 57 N -0.23 0.44 -2.53 1.67 3.38 0.81 0.17 115.31 119.01 1bu9 h LEU 57 Ca -0.17 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1bu9 h LEU 57 Cb 1.79 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1bu9 h LEU 57 CO 0.19 0.25 -0.00 -0.07 0.09 0.00 0.00 178.44 178.89 1bu9 h LEU 58 N 0.48 0.00 -0.68 1.67 -0.00 -0.41 0.19 115.31 116.56 1bu9 h LEU 58 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1bu9 h LEU 58 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1bu9 h LEU 58 CO -0.11 0.00 -0.54 -1.14 -0.00 0.00 0.00 178.44 176.66 1bu9 n ARG 59 N -3.10 1.30 0.00 1.13 0.00 0.52 -4.97 116.66 111.54 1bu9 n ARG 59 Ca -0.02 -0.65 0.00 0.00 -0.00 0.00 0.00 57.85 57.18 1bu9 n ARG 59 Cb 0.14 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.22 1bu9 n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 60 N 1.33 0.74 3.07 5.14 0.00 0.05 -4.99 105.19 110.53 1bu9 n GLY 60 Ca 0.07 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1bu9 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 61 N -0.08 4.07 -0.42 4.61 0.00 -1.22 -4.58 121.76 124.13 1bu9 s ALA 61 Ca 0.00 -3.75 -0.40 0.00 0.00 0.00 0.00 51.96 47.81 1bu9 s ALA 61 Cb 0.00 -2.69 -0.16 0.00 0.00 0.00 0.00 23.12 20.28 1bu9 s ALA 61 CO 0.00 -2.13 2.13 0.09 0.00 0.00 0.00 175.76 175.85 1bu9 n ASN 62 N 2.45 1.44 0.32 0.00 3.02 -1.26 -4.74 115.26 116.49 1bu9 n ASN 62 Ca 0.19 0.59 0.20 0.00 -0.03 0.00 0.00 54.58 55.54 1bu9 n ASN 62 Cb 0.37 -1.07 1.04 0.00 -0.61 0.00 0.00 39.78 39.51 1bu9 n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1bu9 h PRO 63 N 10.30 0.00 -0.01 3.52 0.13 -1.88 0.25 132.00 144.31 1bu9 h PRO 63 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1bu9 h PRO 63 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1bu9 h PRO 63 CO 1.05 0.01 -0.08 -3.47 -0.23 0.00 0.00 178.00 175.28 1bu9 n ASP 64 N -3.17 0.99 -4.53 1.44 -0.08 -1.26 -0.95 116.55 108.99 1bu9 n ASP 64 Ca -0.02 -1.11 -0.18 0.00 -1.51 0.00 0.00 54.79 51.97 1bu9 n ASP 64 Cb 0.14 0.02 -0.14 0.00 2.34 0.00 0.00 41.12 43.48 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bu9 n LEU 65 N -0.39 0.34 -4.53 -2.67 4.77 0.07 -4.48 117.00 110.11 1bu9 n LEU 65 Ca 0.17 -1.01 -0.28 0.00 -0.03 0.00 0.00 56.01 54.85 1bu9 n LEU 65 Cb 0.31 -1.15 0.24 0.00 -2.33 0.00 0.00 43.42 40.49 1bu9 n LEU 65 CO 0.20 -2.04 0.54 -0.75 -1.33 0.00 0.00 177.39 174.01 1bu9 s LYS 66 N 8.07 -0.79 0.00 3.23 2.47 -1.26 -3.19 119.74 128.27 1bu9 s LYS 66 Ca 1.11 0.65 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 1bu9 s LYS 66 Cb -0.48 -1.58 0.00 0.00 -1.46 0.00 0.00 37.83 34.31 1bu9 s LYS 66 CO 0.31 -3.59 0.00 -0.40 0.16 0.00 0.00 175.35 171.83 1bu9 n ASP 67 N -4.80 0.00 -0.05 1.43 5.75 -0.99 -4.71 116.55 113.19 1bu9 n ASP 67 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.67 1bu9 n ASP 67 Cb 0.56 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.57 1bu9 n ASP 67 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1bu9 h ARG 68 N 0.00 0.54 -0.33 0.11 -0.00 -1.73 -2.72 114.38 110.25 1bu9 h ARG 68 Ca 0.00 -0.37 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1bu9 h ARG 68 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.03 1bu9 h ARG 68 CO 0.00 0.99 0.00 0.25 0.00 0.00 0.00 179.97 181.21 1bu9 n THR 69 N -4.29 0.00 -3.48 2.04 -2.24 -1.26 -4.80 114.28 100.25 1bu9 n THR 69 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1bu9 n THR 69 Cb 0.53 -0.20 0.09 0.00 -2.10 0.00 0.00 70.33 68.65 1bu9 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bu9 n GLY 70 N 0.27 -0.40 3.26 3.38 0.00 -1.02 -4.15 105.19 106.52 1bu9 n GLY 70 Ca 0.00 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1bu9 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 71 N -3.36 3.21 0.57 1.61 0.40 -1.26 -2.59 117.98 116.55 1bu9 s PHE 71 Ca 0.13 -1.42 -0.20 0.00 -0.60 0.00 0.00 56.93 54.83 1bu9 s PHE 71 Cb -0.06 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1bu9 s PHE 71 CO 0.73 -0.71 1.30 0.00 0.70 0.00 0.00 175.22 177.25 1bu9 s ALA 72 N 1.39 2.69 0.50 5.36 0.00 -1.24 -2.34 121.76 128.11 1bu9 s ALA 72 Ca -0.01 1.22 0.35 0.00 0.00 0.00 0.00 51.96 53.52 1bu9 s ALA 72 Cb -0.19 -3.53 1.48 0.00 0.00 0.00 0.00 23.12 20.89 1bu9 s ALA 72 CO 0.01 -1.33 1.73 0.28 0.00 0.00 0.00 175.76 176.45 1bu9 h VAL 73 N 1.18 0.31 -0.87 0.00 2.07 -1.00 2.98 116.25 120.92 1bu9 h VAL 73 Ca -0.51 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1bu9 h VAL 73 Cb 1.30 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1bu9 h VAL 73 CO 0.56 0.02 0.50 0.40 0.02 0.00 0.00 177.57 179.07 1bu9 h ILE 74 N 0.09 1.25 -0.25 4.57 2.04 -1.75 -1.34 117.51 122.11 1bu9 h ILE 74 Ca 0.68 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1bu9 h ILE 74 Cb 2.44 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1bu9 h ILE 74 CO -0.13 0.27 -0.34 0.45 0.00 0.00 0.00 178.15 178.40 1bu9 h HIS 75 N 1.21 -1.05 -0.88 1.37 3.86 0.51 0.63 115.15 120.80 1bu9 h HIS 75 Ca 0.31 0.05 0.16 0.00 -1.16 0.00 0.00 60.37 59.73 1bu9 h HIS 75 Cb -0.01 0.49 -0.16 0.00 1.06 0.00 0.00 27.41 28.79 1bu9 h HIS 75 CO 0.00 -0.30 -0.28 -0.44 0.86 0.00 0.00 177.93 177.77 1bu9 h ASP 76 N -0.24 -1.02 -0.61 2.45 5.19 -1.25 2.52 116.42 123.46 1bu9 h ASP 76 Ca 0.04 0.27 0.07 0.00 -0.62 0.00 0.00 57.03 56.80 1bu9 h ASP 76 Cb 0.36 0.61 -0.06 0.00 0.18 0.00 0.00 39.33 40.42 1bu9 h ASP 76 CO -0.37 -0.30 0.30 0.00 -3.12 0.00 0.00 179.24 175.76 1bu9 h ALA 77 N 1.66 0.81 0.00 3.45 0.00 0.19 -3.18 119.26 122.19 1bu9 h ALA 77 Ca 0.39 0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.99 1bu9 h ALA 77 Cb 0.63 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1bu9 h ALA 77 CO -0.91 -0.06 -1.94 0.00 0.00 0.00 0.00 179.25 176.34 1bu9 n ALA 78 N -2.38 1.01 -0.27 0.00 0.00 0.50 0.26 120.51 119.63 1bu9 n ALA 78 Ca 0.08 -0.84 0.05 0.00 0.00 0.00 0.00 53.44 52.73 1bu9 n ALA 78 Cb 0.20 -0.14 0.12 0.00 0.00 0.00 0.00 19.45 19.62 1bu9 n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 79 N -4.34 -0.07 -0.04 0.00 0.00 0.82 -0.89 116.66 112.15 1bu9 n ARG 79 Ca -0.43 1.16 -0.19 0.00 -0.00 0.00 0.00 57.85 58.39 1bu9 n ARG 79 Cb 0.78 -1.74 -0.13 0.00 0.00 0.00 0.00 32.46 31.37 1bu9 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bu9 h ALA 80 N 1.49 0.10 0.00 5.13 0.00 -1.70 -3.43 119.26 120.84 1bu9 h ALA 80 Ca 0.37 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bu9 h ALA 80 Cb 0.58 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1bu9 h ALA 80 CO -0.76 0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.34 1bu9 n GLY 81 N 1.61 0.33 2.90 0.00 0.00 -0.07 -5.04 105.19 104.92 1bu9 n GLY 81 Ca -0.20 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1bu9 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 82 N 0.00 3.36 -0.00 1.61 0.08 0.72 -4.97 117.98 118.78 1bu9 s PHE 82 Ca 0.00 -3.25 -0.24 0.00 0.12 0.00 0.00 56.93 53.56 1bu9 s PHE 82 Cb 0.00 -2.70 -0.14 0.00 -0.57 0.00 0.00 43.02 39.61 1bu9 s PHE 82 CO 0.00 -0.62 1.05 1.25 -0.10 0.00 0.00 175.22 176.79 1bu9 h LEU 83 N 5.81 -0.56 -1.58 -0.37 5.85 -1.93 0.33 115.31 122.85 1bu9 h LEU 83 Ca 0.07 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1bu9 h LEU 83 Cb 0.81 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1bu9 h LEU 83 CO 0.70 -0.17 0.65 0.44 -0.34 0.00 0.00 178.44 179.71 1bu9 h ASP 84 N -1.05 0.00 0.53 1.25 5.19 -1.93 2.97 116.42 123.38 1bu9 h ASP 84 Ca -0.07 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.05 1bu9 h ASP 84 Cb 0.59 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 1bu9 h ASP 84 CO 0.11 0.00 -1.41 0.74 -3.12 0.00 0.00 179.24 175.56 1bu9 h THR 85 N 0.00 1.30 0.00 0.35 2.02 -1.74 -2.59 112.91 112.25 1bu9 h THR 85 Ca 0.19 -2.91 -0.03 0.00 0.77 0.00 0.00 66.41 64.44 1bu9 h THR 85 Cb 1.48 2.84 -0.00 0.00 -1.74 0.00 0.00 68.15 70.73 1bu9 h THR 85 CO -0.00 0.85 -0.13 0.25 0.37 0.00 0.00 175.52 176.85 1bu9 h LEU 86 N 0.07 0.00 -0.17 2.58 6.46 0.90 -1.66 115.31 123.50 1bu9 h LEU 86 Ca -0.20 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.46 1bu9 h LEU 86 Cb 2.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.93 1bu9 h LEU 86 CO 0.18 0.13 -0.29 1.56 -0.62 0.00 0.00 178.44 179.40 1bu9 h GLN 87 N 0.00 0.50 -0.91 1.25 4.20 0.25 -1.95 115.11 118.46 1bu9 h GLN 87 Ca -0.00 -0.31 0.22 0.00 0.06 0.00 0.00 58.65 58.62 1bu9 h GLN 87 Cb 0.30 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1bu9 h GLN 87 CO 0.02 0.91 0.61 1.15 -0.67 0.00 0.00 178.83 180.85 1bu9 h THR 88 N 0.14 0.64 0.27 -0.54 2.02 -0.91 0.81 112.91 115.34 1bu9 h THR 88 Ca 0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1bu9 h THR 88 Cb 0.88 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1bu9 h THR 88 CO 0.07 0.06 -0.13 -0.07 0.37 0.00 0.00 175.52 175.81 1bu9 h LEU 89 N 0.31 -0.30 -0.19 2.58 4.07 -1.26 -2.42 115.31 118.10 1bu9 h LEU 89 Ca 0.47 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 58.28 1bu9 h LEU 89 Cb 1.31 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 43.10 1bu9 h LEU 89 CO -0.15 0.19 -0.04 0.25 -1.08 0.00 0.00 178.44 177.61 1bu9 h LEU 90 N -0.98 -0.16 -0.75 1.67 5.85 -0.44 0.85 115.31 121.36 1bu9 h LEU 90 Ca -0.04 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1bu9 h LEU 90 Cb 0.47 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.49 1bu9 h LEU 90 CO 0.06 -0.06 0.06 -0.08 -0.34 0.00 0.00 178.44 178.08 1bu9 h GLU 91 N 0.01 0.14 -0.98 1.25 4.57 0.52 0.65 114.58 120.73 1bu9 h GLU 91 Ca 0.09 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.04 1bu9 h GLU 91 Cb 0.14 -0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 28.56 1bu9 h GLU 91 CO -0.19 0.09 0.29 1.19 -1.18 0.00 0.00 179.01 179.21 1bu9 n PHE 92 N -5.30 1.41 -3.10 0.92 3.01 -0.61 -4.86 117.46 108.94 1bu9 n PHE 92 Ca 0.14 -1.07 -0.14 0.00 1.01 0.00 0.00 57.45 57.39 1bu9 n PHE 92 Cb 0.48 -0.56 0.07 0.00 -0.01 0.00 0.00 39.48 39.46 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1bu9 n GLN 93 N -0.23 -3.62 -3.17 -1.08 1.13 0.23 -4.81 117.38 105.82 1bu9 n GLN 93 Ca 0.27 0.73 -0.40 0.00 -1.94 0.00 0.00 57.00 55.66 1bu9 n GLN 93 Cb 1.03 -5.28 -0.07 0.00 0.11 0.00 0.00 30.24 26.03 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bu9 s ALA 94 N -3.32 3.59 -0.94 -1.58 0.00 0.29 -4.83 121.76 114.97 1bu9 s ALA 94 Ca 0.21 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.51 1bu9 s ALA 94 Cb -0.03 -2.95 -0.26 0.00 0.00 0.00 0.00 23.12 19.89 1bu9 s ALA 94 CO 0.63 -0.70 2.38 -0.25 0.00 0.00 0.00 175.76 177.82 1bu9 n ASP 95 N 5.45 -0.22 0.14 0.00 8.00 -1.26 -4.52 116.55 124.14 1bu9 n ASP 95 Ca -0.02 -0.41 0.18 0.00 0.71 0.00 0.00 54.79 55.25 1bu9 n ASP 95 Cb 0.49 -0.87 0.65 0.00 -0.02 0.00 0.00 41.12 41.37 1bu9 n ASP 95 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1bu9 h VAL 96 N 7.47 0.17 -0.85 2.53 3.04 -1.95 1.87 116.25 128.52 1bu9 h VAL 96 Ca -0.02 0.00 -0.44 0.00 -1.01 0.00 0.00 66.70 65.24 1bu9 h VAL 96 Cb 1.19 0.49 -0.26 0.00 -2.01 0.00 0.00 31.29 30.70 1bu9 h VAL 96 CO 1.44 0.00 0.49 0.59 -1.01 0.00 0.00 177.57 179.08 1bu9 n ASN 97 N -3.29 3.53 -4.59 3.17 5.03 -1.26 -4.51 115.26 113.34 1bu9 n ASN 97 Ca 0.06 -3.63 -0.43 0.00 0.87 0.00 0.00 54.58 51.46 1bu9 n ASN 97 Cb 0.73 -0.79 -0.02 0.00 -1.02 0.00 0.00 39.78 38.67 1bu9 n ASN 97 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1bu9 s ILE 98 N -3.28 3.90 0.00 2.41 -1.16 0.63 -4.88 121.20 118.83 1bu9 s ILE 98 Ca 0.54 0.88 0.00 0.00 -0.51 0.00 0.00 60.65 61.56 1bu9 s ILE 98 Cb 0.46 -4.33 0.00 0.00 0.61 0.00 0.00 42.46 39.20 1bu9 s ILE 98 CO 0.09 -0.92 0.00 -0.62 -2.81 0.00 0.00 174.94 170.67 1bu9 n GLU 99 N 8.24 3.47 0.00 3.50 1.02 -1.25 -2.98 120.64 132.64 1bu9 n GLU 99 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1bu9 n GLU 99 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1bu9 n GLU 99 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bu9 n ASP 100 N 0.00 0.00 -1.41 1.62 5.75 0.25 -3.71 116.55 119.04 1bu9 n ASP 100 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1bu9 n ASP 100 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.25 1bu9 n ASP 100 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bu9 n ASN 101 N 0.00 3.43 0.00 -1.12 0.23 -1.07 -4.31 115.26 112.42 1bu9 n ASN 101 Ca 0.00 -2.64 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 1bu9 n ASN 101 Cb 0.00 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1bu9 n GLU 102 N 0.03 0.00 0.00 -3.83 1.02 -1.26 -5.06 120.64 111.54 1bu9 n GLU 102 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1bu9 n GLU 102 Cb 0.91 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 32.13 1bu9 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bu9 n GLY 103 N -0.34 0.23 3.77 0.62 0.00 -1.26 -3.81 105.19 104.41 1bu9 n GLY 103 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bu9 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bu9 s ASN 104 N 0.00 7.05 0.47 1.61 -0.87 -1.26 -4.41 114.94 117.53 1bu9 s ASN 104 Ca 0.00 2.04 0.04 0.00 -1.57 0.00 0.00 52.86 53.37 1bu9 s ASN 104 Cb 0.00 -2.59 0.04 0.00 -0.02 0.00 0.00 41.25 38.68 1bu9 s ASN 104 CO 0.00 -0.28 0.35 0.18 -2.57 0.00 0.00 177.10 174.77 1bu9 n LEU 105 N 0.43 0.00 0.25 0.60 4.77 -1.26 0.84 117.00 122.63 1bu9 n LEU 105 Ca 0.03 -2.47 0.07 0.00 -0.03 0.00 0.00 56.01 53.61 1bu9 n LEU 105 Cb 0.48 -0.03 0.59 0.00 -2.33 0.00 0.00 43.42 42.13 1bu9 n LEU 105 CO 0.47 -0.54 1.00 1.55 -1.33 0.00 0.00 177.39 178.55 1bu9 h PRO 106 N 0.00 0.00 -0.18 3.23 0.13 -1.80 -0.51 132.00 132.87 1bu9 h PRO 106 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1bu9 h PRO 106 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1bu9 h PRO 106 CO 0.47 0.07 0.08 1.25 -0.23 0.00 0.00 178.00 179.64 1bu9 h LEU 107 N 0.00 0.24 -1.53 1.56 5.85 -1.88 0.11 115.31 119.66 1bu9 h LEU 107 Ca -0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1bu9 h LEU 107 Cb 0.12 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1bu9 h LEU 107 CO 0.01 0.33 0.29 0.45 -0.34 0.00 0.00 178.44 179.18 1bu9 h HIS 108 N 0.14 0.58 0.15 1.25 3.86 -1.49 -2.56 115.15 117.08 1bu9 h HIS 108 Ca 0.06 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1bu9 h HIS 108 Cb 0.16 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1bu9 h HIS 108 CO -0.02 0.37 -0.07 -0.07 0.86 0.00 0.00 177.93 179.01 1bu9 h LEU 109 N 0.62 -0.17 -1.93 2.43 4.07 0.19 -0.81 115.31 119.71 1bu9 h LEU 109 Ca 0.17 0.01 0.50 0.00 0.08 0.00 0.00 57.88 58.63 1bu9 h LEU 109 Cb -0.06 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 41.66 1bu9 h LEU 109 CO -0.03 -0.11 1.28 0.00 -1.08 0.00 0.00 178.44 178.50 1bu9 h ALA 110 N -1.88 3.63 -0.19 1.53 0.00 -0.79 2.48 119.26 124.04 1bu9 h ALA 110 Ca -0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1bu9 h ALA 110 Cb 0.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bu9 h ALA 110 CO 0.03 -2.17 -0.46 0.00 0.00 0.00 0.00 179.25 176.65 1bu9 h ALA 111 N 1.06 0.31 -0.61 0.00 0.00 -1.03 2.50 119.26 121.50 1bu9 h ALA 111 Ca 0.82 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 55.37 1bu9 h ALA 111 Cb 3.37 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 21.01 1bu9 h ALA 111 CO -0.01 0.46 -0.09 -0.22 0.00 0.00 0.00 179.25 179.39 1bu9 h LYS 112 N 0.33 0.04 0.12 0.00 1.63 0.57 -1.12 116.57 118.14 1bu9 h LYS 112 Ca -0.00 -0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.50 1bu9 h LYS 112 Cb 1.07 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1bu9 h LYS 112 CO 0.10 0.03 -1.47 0.93 -3.45 0.00 0.00 179.45 175.59 1bu9 h GLU 113 N 0.04 0.25 0.00 1.90 4.39 -1.43 -3.46 114.58 116.27 1bu9 h GLU 113 Ca 0.30 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1bu9 h GLU 113 Cb 0.48 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1bu9 h GLU 113 CO -0.58 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 1bu9 n GLY 114 N 1.63 1.92 3.25 -3.84 0.00 0.60 -4.92 105.19 103.83 1bu9 n GLY 114 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1bu9 n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bu9 n HIS 115 N -0.72 0.77 0.00 1.61 8.25 0.70 -4.76 115.22 121.08 1bu9 n HIS 115 Ca 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 1bu9 n HIS 115 Cb 0.00 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 29.97 1bu9 n HIS 115 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1bu9 n LEU 116 N 7.76 0.00 -0.60 2.41 0.00 -1.26 0.12 117.00 125.43 1bu9 n LEU 116 Ca 0.43 0.42 0.46 0.00 0.00 0.00 0.00 56.01 57.33 1bu9 n LEU 116 Cb 0.36 0.00 0.73 0.00 0.00 0.00 0.00 43.42 44.50 1bu9 n LEU 116 CO 1.05 0.00 1.31 -1.14 0.00 0.00 0.00 177.39 178.61 1bu9 n ARG 117 N -0.72 -0.01 0.03 1.96 0.63 -1.26 0.17 116.66 117.46 1bu9 n ARG 117 Ca 0.00 1.04 -0.01 0.00 -0.92 0.00 0.00 57.85 57.96 1bu9 n ARG 117 Cb 0.00 -2.30 -0.01 0.00 0.45 0.00 0.00 32.46 30.60 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1bu9 h VAL 118 N 0.00 0.00 -0.71 5.15 2.07 -1.39 -2.35 116.25 119.02 1bu9 h VAL 118 Ca 0.86 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 68.37 1bu9 h VAL 118 Cb 3.28 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 1bu9 h VAL 118 CO -0.12 0.00 0.48 0.58 0.02 0.00 0.00 177.57 178.53 1bu9 h VAL 119 N -0.23 0.81 -0.02 2.57 2.07 0.34 0.77 116.25 122.56 1bu9 h VAL 119 Ca -0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1bu9 h VAL 119 Cb 0.07 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1bu9 h VAL 119 CO 0.02 0.07 0.02 -0.08 0.02 0.00 0.00 177.57 177.62 1bu9 h GLU 120 N 0.39 0.00 -0.03 1.57 4.22 0.18 -2.23 114.58 118.68 1bu9 h GLU 120 Ca 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.76 1bu9 h GLU 120 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1bu9 h GLU 120 CO -0.10 0.00 -0.06 0.35 -2.18 0.00 0.00 179.01 177.02 1bu9 h PHE 121 N 0.00 0.11 -0.60 0.92 3.04 0.11 -0.20 116.94 120.33 1bu9 h PHE 121 Ca 0.01 -0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.09 1bu9 h PHE 121 Cb 0.05 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1bu9 h PHE 121 CO 0.00 0.65 0.56 -0.07 -2.02 0.00 0.00 178.31 177.44 1bu9 h LEU 122 N -0.46 0.00 0.00 0.59 4.07 -1.29 1.11 115.31 119.33 1bu9 h LEU 122 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bu9 h LEU 122 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1bu9 h LEU 122 CO 0.01 0.00 -0.91 0.55 -1.08 0.00 0.00 178.44 177.01 1bu9 n VAL 123 N -3.84 0.04 1.16 1.22 3.14 -1.09 -3.23 118.33 115.74 1bu9 n VAL 123 Ca 0.12 -0.08 0.13 0.00 -2.96 0.00 0.00 64.34 61.54 1bu9 n VAL 123 Cb 0.79 0.55 0.23 0.00 -1.06 0.00 0.00 33.84 34.35 1bu9 n VAL 123 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1bu9 n LYS 124 N -1.65 1.86 0.07 1.45 3.00 0.37 -4.83 118.16 118.44 1bu9 n LYS 124 Ca 0.04 -1.41 0.00 0.00 -0.00 0.00 0.00 58.31 56.94 1bu9 n LYS 124 Cb 0.37 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.93 1bu9 n LYS 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1bu9 n HIS 125 N 0.66 -2.10 -0.07 5.64 8.25 -0.57 -5.03 115.22 122.00 1bu9 n HIS 125 Ca 0.15 0.38 -0.07 0.00 -0.26 0.00 0.00 57.72 57.92 1bu9 n HIS 125 Cb 0.49 1.16 0.07 0.00 1.12 0.00 0.00 29.99 32.83 1bu9 n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bu9 n THR 126 N -2.86 0.00 0.17 1.59 -2.24 -1.22 -4.82 114.28 104.90 1bu9 n THR 126 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1bu9 n THR 126 Cb 0.00 -0.23 0.19 0.00 -2.10 0.00 0.00 70.33 68.18 1bu9 n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 127 N -3.47 3.10 -0.96 6.98 0.00 -1.26 -4.79 120.51 120.11 1bu9 n ALA 127 Ca -0.05 -0.87 0.11 0.00 0.00 0.00 0.00 53.44 52.64 1bu9 n ALA 127 Cb 0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1bu9 n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bu9 n SER 128 N 0.30 -5.01 -1.73 0.00 7.64 -1.20 -4.55 113.62 109.08 1bu9 n SER 128 Ca 0.13 0.49 -0.18 0.00 1.01 0.00 0.00 58.87 60.31 1bu9 n SER 128 Cb 0.67 -3.10 0.07 0.00 -1.01 0.00 0.00 64.21 60.83 1bu9 n SER 128 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bu9 n ASN 129 N -4.28 4.34 -4.17 6.43 6.94 -1.26 -4.84 115.26 118.42 1bu9 n ASN 129 Ca -0.01 -3.79 -0.05 0.00 -0.02 0.00 0.00 54.58 50.72 1bu9 n ASN 129 Cb 0.60 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1bu9 n VAL 130 N -0.82 0.00 0.00 3.53 0.24 -1.26 0.20 118.33 120.22 1bu9 n VAL 130 Ca 0.40 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1bu9 n VAL 130 Cb 0.90 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1bu9 n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bu9 n GLY 131 N 4.97 0.97 2.92 7.63 0.00 -1.17 -4.77 105.19 115.73 1bu9 n GLY 131 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1bu9 n GLY 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bu9 n HIS 132 N 0.00 0.81 -1.93 1.61 -0.00 0.53 -4.87 115.22 111.36 1bu9 n HIS 132 Ca 0.00 -1.26 -0.42 0.00 -0.00 0.00 0.00 57.72 56.03 1bu9 n HIS 132 Cb 0.00 -1.20 -0.03 0.00 -0.00 0.00 0.00 29.99 28.76 1bu9 n HIS 132 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1bu9 s ARG 133 N 4.61 3.99 0.00 1.57 1.70 -1.26 -3.43 118.95 126.14 1bu9 s ARG 133 Ca 0.32 2.13 0.00 0.00 -0.47 0.00 0.00 55.73 57.71 1bu9 s ARG 133 Cb 0.08 -4.06 0.00 0.00 -0.57 0.00 0.00 34.95 30.39 1bu9 s ARG 133 CO 0.05 -1.08 0.00 0.27 -1.08 0.00 0.00 175.30 173.46 1bu9 n ASN 134 N 7.91 0.00 -0.04 -2.89 0.23 -1.20 -4.32 115.26 114.95 1bu9 n ASN 134 Ca 0.19 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 54.15 1bu9 n ASN 134 Cb 0.43 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 1bu9 n ASN 134 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1bu9 h HIS 135 N -0.54 -0.84 -0.06 -2.53 3.86 -1.82 -1.95 115.15 111.28 1bu9 h HIS 135 Ca 0.00 0.04 -0.20 0.00 -1.16 0.00 0.00 60.37 59.05 1bu9 h HIS 135 Cb 0.00 0.40 0.01 0.00 1.06 0.00 0.00 27.41 28.88 1bu9 h HIS 135 CO 0.00 -0.38 -0.74 -0.22 0.86 0.00 0.00 177.93 177.45 1bu9 h LYS 136 N -0.33 0.61 0.00 2.45 3.64 -1.92 -3.47 116.57 117.54 1bu9 h LYS 136 Ca 0.12 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1bu9 h LYS 136 Cb 0.52 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1bu9 h LYS 136 CO -0.40 1.19 0.00 0.41 -2.27 0.00 0.00 179.45 178.38 1bu9 n GLY 137 N 0.91 0.10 3.56 5.01 0.00 -0.73 -5.02 105.19 109.02 1bu9 n GLY 137 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1bu9 n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu9 s ASP 138 N -0.62 4.80 1.19 1.61 1.11 -1.26 -3.82 116.67 119.67 1bu9 s ASP 138 Ca 0.00 -0.75 -0.16 0.00 0.18 0.00 0.00 52.55 51.82 1bu9 s ASP 138 Cb 0.00 -2.57 0.25 0.00 1.07 0.00 0.00 42.92 41.68 1bu9 s ASP 138 CO 0.00 -3.13 0.57 0.35 1.18 0.00 0.00 175.17 174.13 1bu9 n THR 139 N 8.10 0.00 0.00 -1.27 -2.24 -1.25 -3.28 114.28 114.34 1bu9 n THR 139 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 1bu9 n THR 139 Cb 0.46 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1bu9 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 140 N -4.75 1.03 -0.08 6.98 0.00 -1.22 -1.88 120.51 120.58 1bu9 n ALA 140 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1bu9 n ALA 140 Cb 0.39 -0.92 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1bu9 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bu9 n ASP 142 N -3.67 0.00 -0.04 0.00 8.00 -0.79 -1.66 116.55 118.39 1bu9 n ASP 142 Ca -0.41 0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.17 1bu9 n ASP 142 Cb 0.95 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1bu9 n ASP 142 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1bu9 n LEU 143 N -1.29 1.02 0.17 0.64 4.77 -0.91 -3.02 117.00 118.37 1bu9 n LEU 143 Ca 0.06 0.38 0.19 0.00 -0.03 0.00 0.00 56.01 56.61 1bu9 n LEU 143 Cb 0.11 -0.68 0.79 0.00 -2.33 0.00 0.00 43.42 41.31 1bu9 n LEU 143 CO 0.10 -0.45 1.16 0.00 -1.33 0.00 0.00 177.39 176.87 1bu9 h ALA 144 N -1.45 1.89 0.47 -1.18 0.00 -1.54 -0.92 119.26 116.52 1bu9 h ALA 144 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bu9 h ALA 144 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bu9 h ALA 144 CO 0.00 -0.48 -0.22 -0.09 0.00 0.00 0.00 179.25 178.46 1bu9 h ARG 145 N 0.00 -0.61 -0.98 0.00 1.12 -1.44 0.42 114.38 112.90 1bu9 h ARG 145 Ca 0.13 0.04 0.13 0.00 -1.11 0.00 0.00 59.98 59.17 1bu9 h ARG 145 Cb 0.80 0.14 -0.08 0.00 -0.01 0.00 0.00 29.97 30.82 1bu9 h ARG 145 CO -0.00 -0.40 0.62 -0.07 -3.11 0.00 0.00 179.97 177.00 1bu9 h LEU 146 N -1.16 0.86 -1.91 3.80 3.38 -1.28 0.26 115.31 119.26 1bu9 h LEU 146 Ca -0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1bu9 h LEU 146 Cb 0.48 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bu9 h LEU 146 CO 0.11 0.44 -0.05 1.88 0.09 0.00 0.00 178.44 180.91 1bu9 h TYR 147 N 0.91 0.00 0.00 1.13 0.05 -1.22 -3.46 116.97 114.38 1bu9 h TYR 147 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 1bu9 h TYR 147 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1bu9 h TYR 147 CO -0.00 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.56 1bu9 n GLY 148 N -0.38 2.14 3.55 3.88 0.00 0.92 -5.03 105.19 110.27 1bu9 n GLY 148 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1bu9 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bu9 s ARG 149 N -0.52 2.43 -0.13 1.61 3.00 0.14 -4.78 118.95 120.70 1bu9 s ARG 149 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 55.73 55.93 1bu9 s ARG 149 Cb 0.00 -4.68 -0.25 0.00 0.00 0.00 0.00 34.95 30.02 1bu9 s ARG 149 CO 0.00 -3.20 0.53 -2.95 0.00 0.00 0.00 175.30 169.68 1bu9 h ASN 150 N 14.14 0.21 -0.92 0.23 7.08 -1.90 -2.41 115.58 132.01 1bu9 h ASN 150 Ca -0.11 -0.80 0.27 0.00 -3.08 0.00 0.00 56.30 52.58 1bu9 h ASN 150 Cb 1.11 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 37.24 1bu9 h ASN 150 CO 1.19 1.46 0.85 -0.33 -2.08 0.00 0.00 177.43 178.51 1bu9 h GLU 151 N -0.62 0.00 0.07 4.14 3.07 -1.95 2.45 114.58 121.74 1bu9 h GLU 151 Ca -0.25 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.32 1bu9 h GLU 151 Cb 1.49 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.38 1bu9 h GLU 151 CO -0.02 0.00 -1.53 0.28 -1.40 0.00 0.00 179.01 176.34 1bu9 h VAL 152 N 0.00 1.12 0.34 3.13 2.07 -1.86 -2.74 116.25 118.31 1bu9 h VAL 152 Ca 0.44 -2.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.11 1bu9 h VAL 152 Cb 2.12 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.56 1bu9 h VAL 152 CO -0.00 0.76 -0.16 0.58 0.02 0.00 0.00 177.57 178.77 1bu9 h VAL 153 N 0.04 0.00 -0.95 2.57 2.07 0.43 -3.11 116.25 117.30 1bu9 h VAL 153 Ca -0.23 -0.35 0.21 0.00 0.82 0.00 0.00 66.70 67.15 1bu9 h VAL 153 Cb 1.98 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 1bu9 h VAL 153 CO 0.13 0.00 0.62 -1.28 0.02 0.00 0.00 177.57 177.06 1bu9 h SER 154 N -0.80 0.47 -0.24 0.57 0.87 0.26 0.22 113.55 114.90 1bu9 h SER 154 Ca -0.05 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1bu9 h SER 154 Cb 0.35 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1bu9 h SER 154 CO 0.08 0.17 -0.32 0.25 -0.53 0.00 0.00 176.83 176.48 1bu9 h LEU 155 N 0.46 -1.07 0.22 2.23 7.12 -1.43 1.11 115.31 123.95 1bu9 h LEU 155 Ca 0.51 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.65 1bu9 h LEU 155 Cb 1.20 0.44 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1bu9 h LEU 155 CO -0.23 -0.23 -0.11 0.24 -0.13 0.00 0.00 178.44 177.99 1bu9 h MET 156 N -0.22 -0.29 -1.00 1.25 2.86 -1.23 0.14 114.93 116.45 1bu9 h MET 156 Ca 0.04 0.02 0.31 0.00 -2.06 0.00 0.00 59.70 58.01 1bu9 h MET 156 Cb 0.33 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 31.91 1bu9 h MET 156 CO -0.34 0.06 0.55 1.96 1.06 0.00 0.00 176.91 180.20 1bu9 h GLN 157 N -0.93 0.33 0.14 1.72 4.20 -0.51 0.31 115.11 120.37 1bu9 h GLN 157 Ca -0.03 -0.02 -0.30 0.00 0.06 0.00 0.00 58.65 58.36 1bu9 h GLN 157 Cb 0.48 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1bu9 h GLN 157 CO 0.05 0.22 -1.40 0.00 -0.67 0.00 0.00 178.83 177.03 1bu9 h ALA 158 N 1.84 0.13 -0.31 3.87 0.00 0.13 -3.31 119.26 121.61 1bu9 h ALA 158 Ca 0.72 -0.98 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 1bu9 h ALA 158 Cb 1.61 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 1bu9 h ALA 158 CO -0.60 1.00 0.27 0.09 0.00 0.00 0.00 179.25 180.01 1bu9 n ASN 159 N -3.53 6.00 -3.09 0.00 3.02 0.10 -4.87 115.26 112.89 1bu9 n ASN 159 Ca -0.13 -2.83 -0.11 0.00 -0.03 0.00 0.00 54.58 51.49 1bu9 n ASN 159 Cb 1.04 -1.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1bu9 n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bu9 n GLY 160 N 0.73 -1.27 0.00 7.41 0.00 -0.85 -4.87 105.19 106.34 1bu9 n GLY 160 Ca 0.19 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1bu9 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 n ALA 161 N 0.53 0.00 -2.62 4.61 0.00 -0.89 -4.71 120.51 117.43 1bu9 n ALA 161 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1bu9 n ALA 161 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bu9 s GLY 162 N -0.60 1.46 0.00 0.00 0.00 -1.13 -3.04 107.32 104.01 1bu9 s GLY 162 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1bu9 s GLY 162 CO 0.00 2.33 0.00 0.61 0.00 0.00 0.00 173.10 176.04 1bu9 n GLY 163 N 4.22 3.63 3.35 0.20 0.00 -1.26 -4.60 105.19 110.72 1bu9 n GLY 163 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1bu9 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 n ALA 164 N 11.68 -1.57 -3.43 4.61 0.00 -1.26 -4.68 120.51 125.86 1bu9 n ALA 164 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1bu9 n ALA 164 Cb 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 1bu9 n ALA 164 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bu9 s THR 165 N -0.87 -0.04 0.63 0.00 -4.23 -1.26 -4.97 115.64 104.90 1bu9 s THR 165 Ca 0.00 -1.41 0.35 0.00 -1.18 0.00 0.00 61.69 59.46 1bu9 s THR 165 Cb 0.00 -0.96 0.39 0.00 1.34 0.00 0.00 72.50 73.27 1bu9 s THR 165 CO 0.00 -0.84 2.25 -0.55 -0.54 0.00 0.00 174.62 174.94 1bu9 h ASN 166 N 7.11 0.00 -0.05 3.99 -1.07 -1.86 -3.33 115.58 120.37 1bu9 h ASN 166 Ca 0.04 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.86 1bu9 h ASN 166 Cb 1.00 0.00 0.08 0.00 -2.07 0.00 0.00 38.32 37.33 1bu9 h ASN 166 CO 0.25 0.00 1.63 0.18 0.07 0.00 0.00 177.43 179.56 1bu9 n LEU 167 N -3.47 2.51 0.00 6.14 4.77 -1.26 -5.25 117.00 120.44 1bu9 n LEU 167 Ca -0.02 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1bu9 n LEU 167 Cb 0.15 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1bu9 n LEU 167 CO 0.23 -1.42 0.00 1.67 -1.33 0.00 0.00 177.39 176.54