#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu9 s ALA 2 N 0.00 -1.82 -0.43 -5.12 0.00 -1.26 -5.08 121.76 108.06 1bu9 s ALA 2 Ca 0.00 2.13 0.10 0.00 0.00 0.00 0.00 51.96 54.19 1bu9 s ALA 2 Cb 0.00 -1.26 0.34 0.00 0.00 0.00 0.00 23.12 22.20 1bu9 s ALA 2 CO 0.00 -0.35 0.77 -0.85 0.00 0.00 0.00 175.76 175.34 1bu9 n GLU 3 N 3.10 1.57 -0.73 0.00 0.28 -1.26 -4.87 120.64 118.74 1bu9 n GLU 3 Ca -0.16 -3.78 -0.13 0.00 -0.16 0.00 0.00 57.16 52.94 1bu9 n GLU 3 Cb 0.56 -1.83 0.09 0.00 1.43 0.00 0.00 31.44 31.70 1bu9 n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1bu9 n PRO 4 N 0.23 -0.88 -0.40 3.44 -0.04 -1.26 -4.47 135.00 131.62 1bu9 n PRO 4 Ca 0.26 -0.85 -0.20 0.00 -0.04 0.00 0.00 63.50 62.67 1bu9 n PRO 4 Cb 0.58 -0.61 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 1bu9 n PRO 4 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1bu9 n TRP 5 N -2.96 0.48 0.00 0.54 8.01 -1.24 -3.41 117.44 118.87 1bu9 n TRP 5 Ca 0.07 -0.94 0.00 0.00 -1.31 0.00 0.00 57.50 55.32 1bu9 n TRP 5 Cb 0.25 -0.97 0.00 0.00 -2.01 0.00 0.00 31.31 28.57 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bu9 n GLY 6 N 4.26 -0.24 0.00 6.99 0.00 -1.26 -3.21 105.19 111.73 1bu9 n GLY 6 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1bu9 n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bu9 n ASN 7 N -0.63 0.00 -0.26 1.61 5.15 -1.26 -2.49 115.26 117.38 1bu9 n ASN 7 Ca 0.00 0.29 0.08 0.00 -0.60 0.00 0.00 54.58 54.35 1bu9 n ASN 7 Cb 0.00 -0.42 0.21 0.00 -0.53 0.00 0.00 39.78 39.03 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1bu9 h GLU 8 N 0.00 0.22 0.00 1.20 3.07 -1.85 0.67 114.58 117.89 1bu9 h GLU 8 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1bu9 h GLU 8 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1bu9 h GLU 8 CO 0.00 0.15 0.00 1.28 -1.40 0.00 0.00 179.01 179.04 1bu9 n LEU 9 N -5.20 0.40 -0.33 1.33 7.99 -1.22 -2.39 117.00 117.57 1bu9 n LEU 9 Ca 0.16 0.63 0.35 0.00 -0.01 0.00 0.00 56.01 57.14 1bu9 n LEU 9 Cb 0.52 -0.34 0.63 0.00 -0.11 0.00 0.00 43.42 44.12 1bu9 n LEU 9 CO 0.10 -0.34 1.32 0.00 -1.51 0.00 0.00 177.39 176.96 1bu9 h ALA 10 N -2.00 3.14 -3.00 -1.18 0.00 -1.37 0.69 119.26 115.53 1bu9 h ALA 10 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bu9 h ALA 10 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bu9 h ALA 10 CO 0.00 -1.77 0.00 0.45 0.00 0.00 0.00 179.25 177.93 1bu9 n SER 11 N -3.61 0.00 -0.13 0.00 2.88 0.23 -0.69 113.62 112.30 1bu9 n SER 11 Ca 0.27 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.77 1bu9 n SER 11 Cb 1.52 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 65.01 1bu9 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bu9 h ALA 12 N -2.00 0.34 -0.26 -1.46 0.00 -1.20 0.70 119.26 115.38 1bu9 h ALA 12 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1bu9 h ALA 12 Cb 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1bu9 h ALA 12 CO 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 179.25 178.50 1bu9 h ALA 13 N 1.40 -0.29 -0.26 0.00 0.00 0.22 0.24 119.26 120.57 1bu9 h ALA 13 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1bu9 h ALA 13 Cb 0.31 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bu9 h ALA 13 CO -0.40 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.09 1bu9 n ALA 14 N -2.92 2.81 0.37 0.00 0.00 0.14 0.27 120.51 121.18 1bu9 n ALA 14 Ca -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 53.44 52.79 1bu9 n ALA 14 Cb 0.33 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.31 1.51 0.00 0.00 3.00 0.24 -4.43 116.66 117.29 1bu9 n ARG 15 Ca 0.11 -0.71 0.00 0.00 -0.00 0.00 0.00 57.85 57.24 1bu9 n ARG 15 Cb 0.48 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.86 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 16 N 0.71 1.11 3.51 5.14 0.00 -0.58 -4.99 105.19 110.09 1bu9 n GLY 16 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1bu9 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 17 N 0.00 2.30 -0.04 1.61 9.92 0.21 -4.84 116.55 125.71 1bu9 n ASP 17 Ca 0.00 0.15 -0.01 0.00 -0.53 0.00 0.00 54.79 54.40 1bu9 n ASP 17 Cb 0.00 -1.37 -0.00 0.00 -0.64 0.00 0.00 41.12 39.10 1bu9 n ASP 17 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1bu9 h LEU 18 N 14.50 0.00 -0.74 0.64 5.85 -1.94 -3.34 115.31 130.28 1bu9 h LEU 18 Ca -0.28 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1bu9 h LEU 18 Cb 1.29 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1bu9 h LEU 18 CO 1.06 0.38 0.45 -0.08 -0.34 0.00 0.00 178.44 179.92 1bu9 h GLU 19 N -0.63 0.83 -0.73 1.25 4.81 -1.99 -2.57 114.58 115.54 1bu9 h GLU 19 Ca 0.00 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1bu9 h GLU 19 Cb 0.14 -0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.21 1bu9 h GLU 19 CO 0.00 0.55 -0.43 0.37 -0.73 0.00 0.00 179.01 178.77 1bu9 h GLN 20 N 0.85 -0.13 -0.63 1.92 5.75 -1.96 0.53 115.11 121.44 1bu9 h GLN 20 Ca 0.31 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.95 1bu9 h GLN 20 Cb 0.10 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 28.58 1bu9 h GLN 20 CO -0.14 -0.09 0.06 -0.07 -2.65 0.00 0.00 178.83 175.94 1bu9 h LEU 21 N -0.14 -0.16 0.00 -2.39 3.38 -1.57 0.86 115.31 115.29 1bu9 h LEU 21 Ca 0.23 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1bu9 h LEU 21 Cb 0.55 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1bu9 h LEU 21 CO -0.79 -0.07 0.00 0.41 0.09 0.00 0.00 178.44 178.07 1bu9 n THR 22 N -5.23 0.00 -0.31 0.22 -1.04 0.18 0.52 114.28 108.62 1bu9 n THR 22 Ca 0.10 1.33 0.15 0.00 -2.04 0.00 0.00 64.05 63.59 1bu9 n THR 22 Cb 0.36 -2.15 0.33 0.00 -1.82 0.00 0.00 70.33 67.05 1bu9 n THR 22 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1bu9 h SER 23 N 0.00 0.24 0.16 8.00 0.87 -1.14 0.46 113.55 122.13 1bu9 h SER 23 Ca 0.00 0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1bu9 h SER 23 Cb 0.00 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1bu9 h SER 23 CO 0.00 -0.09 -0.26 0.25 -0.53 0.00 0.00 176.83 176.21 1bu9 h LEU 24 N 0.31 0.17 0.02 2.23 5.85 -0.44 -2.65 115.31 120.80 1bu9 h LEU 24 Ca 0.59 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 1bu9 h LEU 24 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1bu9 h LEU 24 CO -0.59 0.43 -0.01 0.25 -0.34 0.00 0.00 178.44 178.18 1bu9 h LEU 25 N 0.16 -0.02 -1.26 2.25 5.85 0.48 -1.95 115.31 120.82 1bu9 h LEU 25 Ca 0.03 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1bu9 h LEU 25 Cb 0.54 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1bu9 h LEU 25 CO 0.04 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 1bu9 n GLN 26 N -4.78 0.13 -0.02 1.25 10.64 -0.66 -3.12 117.38 120.82 1bu9 n GLN 26 Ca -0.09 0.61 -0.01 0.00 -1.83 0.00 0.00 57.00 55.68 1bu9 n GLN 26 Cb 0.32 -1.91 -0.00 0.00 -0.86 0.00 0.00 30.24 27.79 1bu9 n GLN 26 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1bu9 h ASN 27 N 0.00 0.00 0.00 2.61 4.21 -1.28 -3.50 115.58 117.62 1bu9 h ASN 27 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1bu9 h ASN 27 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1bu9 h ASN 27 CO 0.00 0.19 0.00 -3.20 -1.29 0.00 0.00 177.43 173.13 1bu9 n ASN 28 N -2.88 0.00 -3.63 5.81 2.85 -0.75 -5.11 115.26 111.55 1bu9 n ASN 28 Ca -0.02 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.34 1bu9 n ASN 28 Cb 0.06 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.01 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1bu9 s VAL 29 N 0.00 0.00 -0.86 3.44 -7.23 -1.26 -4.59 120.40 109.90 1bu9 s VAL 29 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.92 1bu9 s VAL 29 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1bu9 s VAL 29 CO 0.00 0.00 1.89 0.20 -0.31 0.00 0.00 175.10 176.88 1bu9 s ASN 30 N 0.59 5.26 0.47 4.85 0.02 -1.26 -4.78 114.94 120.09 1bu9 s ASN 30 Ca -0.01 -0.56 0.37 0.00 -1.02 0.00 0.00 52.86 51.64 1bu9 s ASN 30 Cb -0.05 -2.56 1.27 0.00 0.02 0.00 0.00 41.25 39.94 1bu9 s ASN 30 CO -0.04 -2.60 1.24 0.55 0.02 0.00 0.00 177.10 176.27 1bu9 n VAL 31 N 7.69 0.00 -0.82 1.60 3.14 -1.26 0.26 118.33 128.94 1bu9 n VAL 31 Ca 0.36 1.19 0.06 0.00 -2.96 0.00 0.00 64.34 62.99 1bu9 n VAL 31 Cb 0.48 -2.02 0.09 0.00 -1.06 0.00 0.00 33.84 31.33 1bu9 n VAL 31 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1bu9 n ASN 32 N -3.42 2.02 -4.00 6.55 5.03 -1.26 -4.69 115.26 115.49 1bu9 n ASN 32 Ca 0.33 -2.64 -0.29 0.00 0.87 0.00 0.00 54.58 52.84 1bu9 n ASN 32 Cb 1.58 -0.28 0.09 0.00 -1.02 0.00 0.00 39.78 40.16 1bu9 n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bu9 n ALA 33 N -1.03 -3.32 -3.41 5.41 0.00 0.73 -4.94 120.51 113.94 1bu9 n ALA 33 Ca 0.10 -1.16 0.01 0.00 0.00 0.00 0.00 53.44 52.39 1bu9 n ALA 33 Cb 0.53 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.69 0.23 0.03 0.00 -0.21 -1.20 -4.34 119.66 111.48 1bu9 s GLN 34 Ca 0.38 0.54 -0.00 0.00 0.02 0.00 0.00 55.36 56.30 1bu9 s GLN 34 Cb -0.00 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.29 1bu9 s GLN 34 CO 0.54 -0.07 0.03 -1.71 -2.12 0.00 0.00 175.29 171.96 1bu9 n ASN 35 N 4.54 -0.18 0.13 5.90 2.85 -1.15 -4.72 115.26 122.63 1bu9 n ASN 35 Ca -0.11 -0.93 0.08 0.00 -0.11 0.00 0.00 54.58 53.52 1bu9 n ASN 35 Cb 0.54 -0.03 0.45 0.00 1.24 0.00 0.00 39.78 41.98 1bu9 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bu9 n GLY 36 N 4.34 -0.77 0.26 8.20 0.00 -1.26 0.32 105.19 116.27 1bu9 n GLY 36 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1bu9 n GLY 36 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bu9 n PHE 37 N -2.08 0.16 -2.15 1.61 7.35 -1.26 -4.82 117.46 116.28 1bu9 n PHE 37 Ca -0.01 -0.08 -0.07 0.00 -0.76 0.00 0.00 57.45 56.53 1bu9 n PHE 37 Cb 0.04 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.86 1bu9 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bu9 n GLY 38 N 0.80 -0.20 3.59 7.13 0.00 0.15 -3.41 105.19 113.23 1bu9 n GLY 38 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1bu9 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bu9 s ARG 39 N -4.41 3.05 0.08 1.61 1.04 -1.26 -4.17 118.95 114.90 1bu9 s ARG 39 Ca 0.00 -0.50 0.05 0.00 -1.04 0.00 0.00 55.73 54.23 1bu9 s ARG 39 Cb 0.00 -2.73 -0.04 0.00 -2.04 0.00 0.00 34.95 30.14 1bu9 s ARG 39 CO 0.00 0.56 -0.02 0.99 -0.04 0.00 0.00 175.30 176.79 1bu9 s THR 40 N -0.52 3.91 0.61 4.99 2.01 -1.26 -2.92 115.64 122.47 1bu9 s THR 40 Ca 0.08 -0.97 0.26 0.00 0.31 0.00 0.00 61.69 61.37 1bu9 s THR 40 Cb -0.12 -2.84 0.34 0.00 0.01 0.00 0.00 72.50 69.89 1bu9 s THR 40 CO 0.02 0.16 1.62 0.00 -0.69 0.00 0.00 174.62 175.73 1bu9 h ALA 41 N 3.63 2.33 0.00 7.40 0.00 -1.84 2.27 119.26 133.05 1bu9 h ALA 41 Ca -0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1bu9 h ALA 41 Cb 1.17 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bu9 h ALA 41 CO 0.58 -1.05 -0.14 1.25 0.00 0.00 0.00 179.25 179.89 1bu9 h LEU 42 N 0.00 0.00 0.09 0.00 6.46 -1.92 1.74 115.31 121.67 1bu9 h LEU 42 Ca 0.26 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.77 1bu9 h LEU 42 Cb 1.79 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.71 1bu9 h LEU 42 CO -0.00 0.14 -1.35 -0.61 -0.62 0.00 0.00 178.44 176.00 1bu9 h GLN 43 N 0.00 0.19 0.05 1.25 4.15 0.34 -3.39 115.11 117.70 1bu9 h GLN 43 Ca -0.00 -0.32 -0.12 0.00 0.77 0.00 0.00 58.65 58.97 1bu9 h GLN 43 Cb 0.34 0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.16 1bu9 h GLN 43 CO 0.02 1.15 -0.52 -0.39 -1.93 0.00 0.00 178.83 177.16 1bu9 h VAL 44 N -0.44 1.54 0.00 2.39 -1.51 -1.23 -3.45 116.25 113.55 1bu9 h VAL 44 Ca -0.30 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 62.91 1bu9 h VAL 44 Cb 1.66 2.97 0.00 0.00 -2.13 0.00 0.00 31.29 33.78 1bu9 h VAL 44 CO 0.01 0.63 0.00 1.15 -1.23 0.00 0.00 177.57 178.13 1bu9 n MET 45 N -4.30 0.00 -1.50 5.19 0.00 0.59 -4.08 117.12 113.01 1bu9 n MET 45 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.30 1bu9 n MET 45 Cb 0.66 0.00 -0.19 0.00 0.00 0.00 0.00 33.22 33.69 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 0.04 0.05 3.17 3.00 0.75 -4.63 118.16 120.54 1bu9 n LYS 46 Ca 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.31 1bu9 n LYS 46 Cb 0.00 -1.31 0.16 0.00 0.00 0.00 0.00 35.03 33.88 1bu9 n LYS 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1bu9 n LEU 47 N 7.88 0.16 -0.21 3.14 4.77 -1.26 -1.47 117.00 130.01 1bu9 n LEU 47 Ca 0.66 0.57 -0.03 0.00 -0.03 0.00 0.00 56.01 57.18 1bu9 n LEU 47 Cb 0.12 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1bu9 n LEU 47 CO 1.02 -0.62 0.67 1.23 -1.33 0.00 0.00 177.39 178.36 1bu9 h GLY 48 N 0.00 0.14 -5.81 -0.72 0.00 -1.95 -3.30 103.07 91.43 1bu9 h GLY 48 Ca 0.00 0.34 -0.64 0.00 0.00 0.00 0.00 47.33 47.03 1bu9 h GLY 48 CO 0.00 -0.23 -0.47 0.54 0.00 0.00 0.00 176.54 176.38 1bu9 s ASN 49 N -5.19 6.36 0.18 0.19 2.20 -0.55 -4.95 114.94 113.18 1bu9 s ASN 49 Ca -0.14 0.42 0.23 0.00 -0.94 0.00 0.00 52.86 52.42 1bu9 s ASN 49 Cb 0.18 -2.09 0.01 0.00 -2.00 0.00 0.00 41.25 37.35 1bu9 s ASN 49 CO 0.71 0.33 1.04 -0.81 -2.94 0.00 0.00 177.10 175.43 1bu9 n PRO 50 N 2.49 0.57 0.24 3.55 -0.04 -1.25 -3.44 135.00 137.13 1bu9 n PRO 50 Ca -0.18 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1bu9 n PRO 50 Cb 0.54 -1.79 0.58 0.00 -0.04 0.00 0.00 33.50 32.79 1bu9 n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bu9 h GLU 51 N 0.00 0.00 -0.56 0.54 4.11 -1.91 -2.57 114.58 114.19 1bu9 h GLU 51 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 1bu9 h GLU 51 Cb 0.97 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 1bu9 h GLU 51 CO 0.00 0.17 -0.50 0.82 0.07 0.00 0.00 179.01 179.57 1bu9 h ILE 52 N 0.00 0.00 0.02 -1.06 1.08 -1.84 0.53 117.51 116.24 1bu9 h ILE 52 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1bu9 h ILE 52 Cb 0.58 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1bu9 h ILE 52 CO 0.02 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.47 1bu9 h ALA 53 N -0.00 -0.02 -0.94 1.87 0.00 -1.76 -3.06 119.26 115.35 1bu9 h ALA 53 Ca 0.09 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1bu9 h ALA 53 Cb 0.46 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.10 1bu9 h ALA 53 CO -0.64 -0.37 -0.35 -2.13 0.00 0.00 0.00 179.25 175.76 1bu9 n ARG 54 N -4.97 -0.20 -0.33 0.00 0.63 -0.24 0.27 116.66 111.82 1bu9 n ARG 54 Ca -0.08 1.45 0.09 0.00 -0.92 0.00 0.00 57.85 58.40 1bu9 n ARG 54 Cb 0.16 -2.16 0.27 0.00 0.45 0.00 0.00 32.46 31.17 1bu9 n ARG 54 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1bu9 h ARG 55 N 0.00 0.74 0.02 -0.14 9.65 0.09 1.23 114.38 125.97 1bu9 h ARG 55 Ca 0.35 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1bu9 h ARG 55 Cb 0.58 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1bu9 h ARG 55 CO -0.94 0.49 -0.01 -0.07 2.80 0.00 0.00 179.97 182.24 1bu9 h LEU 56 N 0.77 -0.02 -0.72 3.80 3.38 0.36 -3.34 115.31 119.54 1bu9 h LEU 56 Ca 0.52 -0.59 0.13 0.00 0.09 0.00 0.00 57.88 58.03 1bu9 h LEU 56 Cb 0.71 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1bu9 h LEU 56 CO -0.35 0.76 0.28 0.25 0.09 0.00 0.00 178.44 179.47 1bu9 h LEU 57 N -0.98 0.26 -0.84 1.67 7.12 0.43 -2.00 115.31 120.97 1bu9 h LEU 57 Ca -0.00 0.10 0.18 0.00 0.13 0.00 0.00 57.88 58.29 1bu9 h LEU 57 Cb 0.60 0.08 -0.16 0.00 -0.53 0.00 0.00 40.66 40.65 1bu9 h LEU 57 CO 0.00 0.12 -0.16 -0.07 -0.13 0.00 0.00 178.44 178.20 1bu9 h LEU 58 N 0.44 -0.70 -2.15 2.25 -0.00 0.14 1.79 115.31 117.08 1bu9 h LEU 58 Ca 0.38 0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 58.50 1bu9 h LEU 58 Cb 0.55 0.49 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1bu9 h LEU 58 CO -0.38 -0.27 -0.06 -0.09 -0.00 0.00 0.00 178.44 177.64 1bu9 h ARG 59 N 0.01 0.00 0.00 1.13 9.65 -1.51 -3.44 114.38 120.23 1bu9 h ARG 59 Ca 0.42 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.30 1bu9 h ARG 59 Cb 0.68 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1bu9 h ARG 59 CO -0.84 0.06 0.00 0.41 2.80 0.00 0.00 179.97 182.40 1bu9 n GLY 60 N -1.12 0.53 3.75 2.80 0.00 0.60 -5.12 105.19 106.63 1bu9 n GLY 60 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.58 3.46 -0.28 4.61 0.00 -0.68 -4.95 121.76 123.33 1bu9 s ALA 61 Ca 0.00 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 1bu9 s ALA 61 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1bu9 s ALA 61 CO 0.00 -0.39 0.87 -0.80 0.00 0.00 0.00 175.76 175.44 1bu9 s ASN 62 N -0.34 6.80 0.03 0.00 0.01 -1.26 -4.67 114.94 115.49 1bu9 s ASN 62 Ca 0.49 0.90 0.15 0.00 -0.71 0.00 0.00 52.86 53.70 1bu9 s ASN 62 Cb -0.35 -2.45 0.64 0.00 0.41 0.00 0.00 41.25 39.50 1bu9 s ASN 62 CO 0.42 -0.64 1.47 -0.81 -1.51 0.00 0.00 177.10 176.04 1bu9 n PRO 63 N 6.27 0.02 -0.11 -0.60 -0.04 -1.26 -3.51 135.00 135.78 1bu9 n PRO 63 Ca 0.06 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1bu9 n PRO 63 Cb 0.48 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 1bu9 n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bu9 n ASP 64 N -1.57 2.35 -1.61 3.54 -0.08 -1.26 -1.81 116.55 116.11 1bu9 n ASP 64 Ca 0.03 -0.11 -0.08 0.00 -1.51 0.00 0.00 54.79 53.12 1bu9 n ASP 64 Cb 0.17 -0.33 -0.08 0.00 2.34 0.00 0.00 41.12 43.21 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bu9 n LEU 65 N -3.12 -0.53 -4.29 -2.67 -0.00 -1.23 -4.12 117.00 101.04 1bu9 n LEU 65 Ca -0.37 -0.20 -0.32 0.00 -0.00 0.00 0.00 56.01 55.11 1bu9 n LEU 65 Cb 0.90 -0.19 0.17 0.00 -0.00 0.00 0.00 43.42 44.29 1bu9 n LEU 65 CO 0.21 -0.51 -0.49 1.17 -0.00 0.00 0.00 177.39 177.77 1bu9 n LYS 66 N 1.97 -1.41 0.00 1.47 3.00 -1.26 -4.38 118.16 117.55 1bu9 n LYS 66 Ca 0.24 -0.39 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1bu9 n LYS 66 Cb 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.36 1bu9 n LYS 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1bu9 n ASP 67 N -1.59 0.00 -0.01 3.14 -0.08 -0.96 -4.79 116.55 112.27 1bu9 n ASP 67 Ca 0.01 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.13 1bu9 n ASP 67 Cb 0.61 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.97 1bu9 n ASP 67 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1bu9 h ARG 68 N 0.00 0.35 -0.49 -0.67 2.43 -1.72 -3.14 114.38 111.15 1bu9 h ARG 68 Ca 0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1bu9 h ARG 68 Cb 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1bu9 h ARG 68 CO 0.00 1.02 0.00 0.25 -1.51 0.00 0.00 179.97 179.73 1bu9 n THR 69 N -4.33 0.17 -2.59 0.20 -2.24 -1.26 -4.81 114.28 99.42 1bu9 n THR 69 Ca -0.10 -0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 1bu9 n THR 69 Cb 0.59 -0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.35 0.05 3.10 3.38 0.00 -1.18 -4.19 105.19 106.68 1bu9 n GLY 70 Ca 0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.17 3.59 0.46 1.61 0.40 -1.26 -3.49 117.98 116.12 1bu9 s PHE 71 Ca 0.05 -2.49 -0.24 0.00 -0.60 0.00 0.00 56.93 53.64 1bu9 s PHE 71 Cb -0.01 -2.97 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 1bu9 s PHE 71 CO 0.34 -0.94 1.29 0.00 0.70 0.00 0.00 175.22 176.61 1bu9 s ALA 72 N 1.09 3.06 0.54 5.36 0.00 -1.22 -2.26 121.76 128.33 1bu9 s ALA 72 Ca 0.07 1.20 0.40 0.00 0.00 0.00 0.00 51.96 53.63 1bu9 s ALA 72 Cb -0.21 -3.49 1.60 0.00 0.00 0.00 0.00 23.12 21.01 1bu9 s ALA 72 CO -0.05 -0.96 1.72 0.28 0.00 0.00 0.00 175.76 176.76 1bu9 h VAL 73 N 2.01 0.27 -0.99 0.00 2.07 -1.51 3.01 116.25 121.12 1bu9 h VAL 73 Ca -0.50 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1bu9 h VAL 73 Cb 1.26 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1bu9 h VAL 73 CO 0.60 0.00 0.65 0.40 0.02 0.00 0.00 177.57 179.24 1bu9 h ILE 74 N 0.02 1.15 -0.04 4.57 2.04 -1.78 -1.64 117.51 121.83 1bu9 h ILE 74 Ca 0.70 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1bu9 h ILE 74 Cb 2.74 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1bu9 h ILE 74 CO -0.03 0.22 -0.07 0.45 0.00 0.00 0.00 178.15 178.72 1bu9 h HIS 75 N 1.23 -0.23 -1.65 1.37 3.86 0.52 0.39 115.15 120.63 1bu9 h HIS 75 Ca 0.40 0.01 0.52 0.00 -1.16 0.00 0.00 60.37 60.14 1bu9 h HIS 75 Cb 0.04 0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.50 1bu9 h HIS 75 CO -0.00 -0.07 1.13 -0.44 0.86 0.00 0.00 177.93 179.41 1bu9 h ASP 76 N -0.06 0.11 0.16 2.45 3.32 -1.37 2.18 116.42 123.20 1bu9 h ASP 76 Ca 0.01 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1bu9 h ASP 76 Cb 0.08 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1bu9 h ASP 76 CO -0.07 -0.14 -0.08 0.00 -1.72 0.00 0.00 179.24 177.23 1bu9 h ALA 77 N 1.34 -0.40 0.15 3.45 0.00 0.65 -3.37 119.26 121.07 1bu9 h ALA 77 Ca 0.91 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 55.47 1bu9 h ALA 77 Cb 3.26 0.08 0.01 0.00 0.00 0.00 0.00 17.79 21.14 1bu9 h ALA 77 CO -0.26 -0.39 -1.40 0.00 0.00 0.00 0.00 179.25 177.20 1bu9 h ALA 78 N -1.61 0.12 -0.81 0.00 0.00 -0.24 2.21 119.26 118.93 1bu9 h ALA 78 Ca -0.02 -0.97 0.08 0.00 0.00 0.00 0.00 54.91 54.00 1bu9 h ALA 78 Cb 0.16 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1bu9 h ALA 78 CO 0.04 0.99 -0.46 -2.13 0.00 0.00 0.00 179.25 177.69 1bu9 n ARG 79 N -3.54 -0.34 -0.01 0.00 0.00 0.73 -1.81 116.66 111.69 1bu9 n ARG 79 Ca -0.13 1.23 -0.18 0.00 -0.00 0.00 0.00 57.85 58.76 1bu9 n ARG 79 Cb 1.05 -1.81 -0.14 0.00 0.00 0.00 0.00 32.46 31.56 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 0.51 0.03 0.00 5.13 0.00 -1.72 -3.40 119.26 119.80 1bu9 h ALA 80 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1bu9 h ALA 80 Cb 0.35 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bu9 h ALA 80 CO -0.77 0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1bu9 n GLY 81 N 1.64 0.00 3.09 0.00 0.00 -0.75 -5.02 105.19 104.14 1bu9 n GLY 81 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 3.67 -0.04 1.61 0.08 0.75 -4.93 117.98 119.12 1bu9 s PHE 82 Ca 0.00 -2.93 -0.20 0.00 0.12 0.00 0.00 56.93 53.92 1bu9 s PHE 82 Cb 0.00 -3.18 -0.14 0.00 -0.57 0.00 0.00 43.02 39.13 1bu9 s PHE 82 CO 0.00 -0.76 0.88 1.25 -0.10 0.00 0.00 175.22 176.48 1bu9 h LEU 83 N 6.37 -0.30 -1.66 -0.37 5.85 -1.93 0.26 115.31 123.54 1bu9 h LEU 83 Ca 0.09 -0.22 0.17 0.00 0.84 0.00 0.00 57.88 58.76 1bu9 h LEU 83 Cb 0.86 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1bu9 h LEU 83 CO 0.78 0.19 0.70 0.44 -0.34 0.00 0.00 178.44 180.22 1bu9 h ASP 84 N -0.92 0.00 0.34 1.25 3.32 -1.95 3.01 116.42 121.47 1bu9 h ASP 84 Ca -0.04 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.73 1bu9 h ASP 84 Cb 0.50 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.07 1bu9 h ASP 84 CO 0.06 0.00 -1.22 0.74 -1.72 0.00 0.00 179.24 177.10 1bu9 h THR 85 N 0.00 1.37 -0.13 0.35 2.02 -1.79 -2.27 112.91 112.46 1bu9 h THR 85 Ca 0.28 -2.68 -0.04 0.00 0.77 0.00 0.00 66.41 64.75 1bu9 h THR 85 Cb 1.69 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.85 1bu9 h THR 85 CO -0.00 0.80 -0.09 0.25 0.37 0.00 0.00 175.52 176.85 1bu9 h LEU 86 N 0.19 0.18 -0.69 2.58 6.46 0.72 -0.91 115.31 123.84 1bu9 h LEU 86 Ca -0.16 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.46 1bu9 h LEU 86 Cb 1.90 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.77 1bu9 h LEU 86 CO 0.22 0.30 -0.15 1.56 -0.62 0.00 0.00 178.44 179.74 1bu9 h GLN 87 N 0.19 0.85 0.42 1.25 4.20 0.50 -0.48 115.11 122.04 1bu9 h GLN 87 Ca 0.04 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1bu9 h GLN 87 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1bu9 h GLN 87 CO 0.01 0.95 -0.41 1.15 -0.67 0.00 0.00 178.83 179.86 1bu9 h THR 88 N 0.76 0.17 -0.37 -0.54 2.02 -0.58 1.05 112.91 115.41 1bu9 h THR 88 Ca 0.12 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 1bu9 h THR 88 Cb 0.67 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 1bu9 h THR 88 CO 0.05 0.00 -0.14 -0.07 0.37 0.00 0.00 175.52 175.73 1bu9 h LEU 89 N -0.85 -0.49 0.78 2.58 4.07 -1.30 1.03 115.31 121.12 1bu9 h LEU 89 Ca -0.04 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1bu9 h LEU 89 Cb 0.75 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 42.78 1bu9 h LEU 89 CO -0.06 -0.18 -0.49 0.25 -1.08 0.00 0.00 178.44 176.88 1bu9 h LEU 90 N -0.07 -1.24 -1.00 1.67 7.12 -0.52 0.49 115.31 121.77 1bu9 h LEU 90 Ca 0.18 0.07 0.30 0.00 0.13 0.00 0.00 57.88 58.56 1bu9 h LEU 90 Cb 0.35 0.36 -0.14 0.00 -0.53 0.00 0.00 40.66 40.70 1bu9 h LEU 90 CO -0.42 -0.75 0.56 -0.08 -0.13 0.00 0.00 178.44 177.63 1bu9 h GLU 91 N -1.19 0.36 -1.14 1.25 4.57 0.18 2.16 114.58 120.77 1bu9 h GLU 91 Ca -0.10 -0.02 -0.32 0.00 -1.18 0.00 0.00 59.36 57.74 1bu9 h GLU 91 Cb 0.96 -0.08 -0.17 0.00 -0.16 0.00 0.00 28.75 29.30 1bu9 h GLU 91 CO 0.10 0.24 0.41 1.19 -1.18 0.00 0.00 179.01 179.77 1bu9 n PHE 92 N -5.02 1.75 -3.45 0.92 3.72 0.35 -4.91 117.46 110.81 1bu9 n PHE 92 Ca 0.30 -1.53 -0.20 0.00 -0.05 0.00 0.00 57.45 55.97 1bu9 n PHE 92 Cb 0.92 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bu9 n GLN 93 N -0.24 -1.19 0.00 -1.08 6.02 0.73 -4.81 117.38 116.81 1bu9 n GLN 93 Ca 0.34 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1bu9 n GLN 93 Cb 0.98 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.58 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bu9 n ALA 94 N -2.00 0.00 0.00 -1.58 0.00 0.15 -4.89 120.51 112.18 1bu9 n ALA 94 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1bu9 n ALA 94 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1bu9 n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bu9 n ASP 95 N 0.00 0.00 0.09 0.00 8.00 -1.26 -4.85 116.55 118.53 1bu9 n ASP 95 Ca 0.00 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.70 1bu9 n ASP 95 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 41.80 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 0.00 0.26 -0.29 2.53 3.04 -1.98 2.16 116.25 121.98 1bu9 h VAL 96 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1bu9 h VAL 96 Cb 0.00 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1bu9 h VAL 96 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1bu9 n ASN 97 N -3.51 1.85 -4.62 3.17 5.03 -1.26 -4.54 115.26 111.38 1bu9 n ASN 97 Ca 0.08 -1.89 -0.43 0.00 0.87 0.00 0.00 54.58 53.21 1bu9 n ASN 97 Cb 0.71 -0.19 -0.02 0.00 -1.02 0.00 0.00 39.78 39.25 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 -1.62 3.75 0.00 2.41 -1.16 0.73 -4.91 121.20 120.41 1bu9 s ILE 98 Ca 0.27 0.82 0.00 0.00 -0.51 0.00 0.00 60.65 61.23 1bu9 s ILE 98 Cb 0.14 -3.86 0.00 0.00 0.61 0.00 0.00 42.46 39.36 1bu9 s ILE 98 CO 0.20 -0.44 0.00 -0.62 -2.81 0.00 0.00 174.94 171.28 1bu9 n GLU 99 N 7.86 2.37 0.00 3.50 1.02 -1.26 -3.49 120.64 130.64 1bu9 n GLU 99 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1bu9 n GLU 99 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 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 0.17 -1.84 1.62 5.75 -0.27 -3.45 116.55 118.53 1bu9 n ASP 100 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.61 1bu9 n ASP 100 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1bu9 n ASP 100 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1bu9 n ASN 101 N 0.00 5.51 0.03 -1.12 4.13 -1.25 -4.27 115.26 118.29 1bu9 n ASN 101 Ca 0.00 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.22 1bu9 n ASN 101 Cb 0.00 -0.92 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bu9 n GLU 102 N 0.01 0.00 0.00 3.52 1.02 -1.26 -5.04 120.64 118.89 1bu9 n GLU 102 Ca 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1bu9 n GLU 102 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 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 -0.21 0.08 3.80 0.62 0.00 -1.26 -3.83 105.19 104.39 1bu9 n GLY 103 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 7.21 0.49 1.61 -0.87 -1.26 -4.01 114.94 118.11 1bu9 s ASN 104 Ca 0.00 1.44 0.02 0.00 -1.57 0.00 0.00 52.86 52.75 1bu9 s ASN 104 Cb 0.00 -2.43 -0.02 0.00 -0.02 0.00 0.00 41.25 38.79 1bu9 s ASN 104 CO 0.00 0.23 0.03 -1.48 -2.57 0.00 0.00 177.10 173.31 1bu9 s LEU 105 N -1.19 2.24 0.63 0.60 0.05 -1.26 -1.11 118.68 118.65 1bu9 s LEU 105 Ca 0.33 -1.65 0.30 0.00 0.05 0.00 0.00 54.13 53.16 1bu9 s LEU 105 Cb -0.21 -0.60 1.64 0.00 -2.05 0.00 0.00 46.19 44.97 1bu9 s LEU 105 CO 0.22 -0.86 1.97 1.55 -0.55 0.00 0.00 176.35 178.68 1bu9 h PRO 106 N 1.46 0.00 -0.48 1.48 0.13 -1.84 0.42 132.00 133.16 1bu9 h PRO 106 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1bu9 h PRO 106 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1bu9 h PRO 106 CO 0.71 0.00 -0.09 1.25 -0.23 0.00 0.00 178.00 179.64 1bu9 h LEU 107 N 0.00 0.86 -0.17 1.56 5.85 -1.89 0.34 115.31 121.86 1bu9 h LEU 107 Ca 0.07 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 1bu9 h LEU 107 Cb 0.73 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1bu9 h LEU 107 CO -0.00 0.97 -0.32 0.45 -0.34 0.00 0.00 178.44 179.21 1bu9 h HIS 108 N 0.79 0.66 0.75 1.25 3.86 -0.45 -2.57 115.15 119.44 1bu9 h HIS 108 Ca 0.13 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 1bu9 h HIS 108 Cb 0.59 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.95 1bu9 h HIS 108 CO 0.03 0.96 -0.36 -0.07 0.86 0.00 0.00 177.93 179.35 1bu9 h LEU 109 N 0.17 -0.86 -1.80 2.43 4.07 -1.00 1.31 115.31 119.65 1bu9 h LEU 109 Ca 0.01 0.03 0.36 0.00 0.08 0.00 0.00 57.88 58.36 1bu9 h LEU 109 Cb 0.91 0.22 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 1bu9 h LEU 109 CO 0.07 -0.58 1.03 0.00 -1.08 0.00 0.00 178.44 177.88 1bu9 h ALA 110 N -1.46 3.15 0.17 1.53 0.00 -0.43 2.30 119.26 124.52 1bu9 h ALA 110 Ca -0.10 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 1bu9 h ALA 110 Cb 0.78 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bu9 h ALA 110 CO 0.17 -1.67 -1.46 0.00 0.00 0.00 0.00 179.25 176.28 1bu9 h ALA 111 N 1.13 0.08 -0.64 0.00 0.00 -0.78 0.94 119.26 119.99 1bu9 h ALA 111 Ca 0.60 -0.98 0.11 0.00 0.00 0.00 0.00 54.91 54.64 1bu9 h ALA 111 Cb 2.65 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 20.51 1bu9 h ALA 111 CO -0.01 0.95 -0.35 -0.22 0.00 0.00 0.00 179.25 179.62 1bu9 h LYS 112 N 0.10 -0.14 -0.21 0.00 3.11 1.39 0.15 116.57 120.96 1bu9 h LYS 112 Ca -0.23 0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.42 1bu9 h LYS 112 Cb 2.06 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.33 1bu9 h LYS 112 CO 0.21 -0.10 -0.68 0.93 -2.81 0.00 0.00 179.45 177.01 1bu9 h GLU 113 N -0.15 0.80 0.00 1.90 4.39 -1.60 -3.46 114.58 116.46 1bu9 h GLU 113 Ca 0.24 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1bu9 h GLU 113 Cb 0.56 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1bu9 h GLU 113 CO -0.72 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 1bu9 n GLY 114 N 0.54 1.82 3.43 -3.84 0.00 0.51 -4.92 105.19 102.73 1bu9 n GLY 114 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.50 0.49 0.00 1.61 8.25 0.32 -4.74 115.22 120.65 1bu9 n HIS 115 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 1bu9 n HIS 115 Cb 0.00 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.00 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 9.57 0.00 -0.62 2.41 0.00 -1.26 0.72 117.00 127.82 1bu9 n LEU 116 Ca 0.47 0.54 0.49 0.00 0.00 0.00 0.00 56.01 57.51 1bu9 n LEU 116 Cb 0.42 -0.04 0.75 0.00 0.00 0.00 0.00 43.42 44.56 1bu9 n LEU 116 CO 1.12 -0.04 1.45 -0.09 0.00 0.00 0.00 177.39 179.83 1bu9 h ARG 117 N 0.00 0.00 0.06 1.96 1.12 -1.94 0.80 114.38 116.38 1bu9 h ARG 117 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1bu9 h ARG 117 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1bu9 h ARG 117 CO 0.00 0.00 -0.03 0.28 -3.11 0.00 0.00 179.97 177.11 1bu9 h VAL 118 N 0.00 0.00 -0.89 0.20 2.07 -1.26 -2.63 116.25 113.73 1bu9 h VAL 118 Ca 0.86 -0.13 0.23 0.00 0.82 0.00 0.00 66.70 68.47 1bu9 h VAL 118 Cb 3.63 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.34 1bu9 h VAL 118 CO -0.01 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.77 1bu9 h VAL 119 N -0.21 0.62 -0.44 2.57 2.07 0.25 1.04 116.25 122.16 1bu9 h VAL 119 Ca -0.01 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1bu9 h VAL 119 Cb 0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1bu9 h VAL 119 CO 0.01 0.04 0.29 -0.08 0.02 0.00 0.00 177.57 177.86 1bu9 h GLU 120 N 0.24 0.42 -0.44 1.57 4.22 0.49 -1.17 114.58 119.91 1bu9 h GLU 120 Ca 0.45 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.81 1bu9 h GLU 120 Cb 1.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1bu9 h GLU 120 CO -0.11 0.28 0.04 0.35 -2.18 0.00 0.00 179.01 177.38 1bu9 h PHE 121 N 0.43 0.80 0.05 0.92 3.04 0.15 -2.93 116.94 119.40 1bu9 h PHE 121 Ca 0.18 -0.12 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1bu9 h PHE 121 Cb 0.19 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.44 1bu9 h PHE 121 CO -0.00 0.77 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.57 1bu9 h LEU 122 N 0.59 -1.26 -1.85 0.59 4.07 -1.11 0.55 115.31 116.90 1bu9 h LEU 122 Ca 0.13 0.15 0.12 0.00 0.08 0.00 0.00 57.88 58.36 1bu9 h LEU 122 Cb 0.42 0.48 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1bu9 h LEU 122 CO 0.01 -0.47 0.52 1.62 -1.08 0.00 0.00 178.44 179.05 1bu9 h VAL 123 N -0.61 0.28 -2.15 1.22 3.04 -1.47 -3.28 116.25 113.28 1bu9 h VAL 123 Ca 0.03 0.00 -0.48 0.00 -1.01 0.00 0.00 66.70 65.25 1bu9 h VAL 123 Cb 0.66 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 1bu9 h VAL 123 CO -0.28 0.00 -0.46 -0.54 -1.01 0.00 0.00 177.57 175.28 1bu9 s LYS 124 N -4.52 3.19 0.00 4.17 -0.14 0.19 -4.25 119.74 118.39 1bu9 s LYS 124 Ca -0.04 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1bu9 s LYS 124 Cb 0.14 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1bu9 s LYS 124 CO 0.49 0.38 0.00 0.72 -0.76 0.00 0.00 175.35 176.18 1bu9 n HIS 125 N -1.34 0.00 -0.59 3.18 8.25 -1.26 -4.80 115.22 118.66 1bu9 n HIS 125 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1bu9 n HIS 125 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 0.00 0.00 0.52 1.59 -2.24 -1.24 -4.89 114.28 108.03 1bu9 n THR 126 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1bu9 n THR 126 Cb 0.00 -1.30 0.16 0.00 -2.10 0.00 0.00 70.33 67.09 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 -3.00 2.84 -1.96 6.98 0.00 -1.26 -4.94 120.51 119.17 1bu9 n ALA 127 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1bu9 n ALA 127 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.31 -7.30 -2.72 0.00 7.64 -1.25 -4.61 113.62 105.69 1bu9 n SER 128 Ca 0.11 1.33 -0.27 0.00 1.01 0.00 0.00 58.87 61.05 1bu9 n SER 128 Cb 0.50 -4.43 -0.08 0.00 -1.01 0.00 0.00 64.21 59.19 1bu9 n SER 128 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bu9 n ASN 129 N 1.53 6.97 -3.22 6.43 3.02 -1.26 -4.81 115.26 123.92 1bu9 n ASN 129 Ca 0.00 -2.75 -0.20 0.00 -0.03 0.00 0.00 54.58 51.60 1bu9 n ASN 129 Cb 0.00 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 37.72 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1bu9 n VAL 130 N 2.39 1.00 0.00 2.41 0.24 -1.26 -1.97 118.33 121.15 1bu9 n VAL 130 Ca 0.58 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1bu9 n VAL 130 Cb 0.54 -1.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 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 4.16 -0.08 3.49 7.63 0.00 -1.06 -4.71 105.19 114.62 1bu9 n GLY 131 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 1.30 -2.27 1.61 -0.00 -0.83 -4.87 115.22 110.16 1bu9 n HIS 132 Ca 0.00 -0.81 -0.42 0.00 -0.00 0.00 0.00 57.72 56.49 1bu9 n HIS 132 Cb 0.00 -2.06 -0.03 0.00 -0.00 0.00 0.00 29.99 27.91 1bu9 n HIS 132 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1bu9 s ARG 133 N 7.16 4.28 0.00 1.57 0.52 -1.26 -2.97 118.95 128.25 1bu9 s ARG 133 Ca 0.72 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 1bu9 s ARG 133 Cb 0.04 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.86 1bu9 s ARG 133 CO 0.20 -0.60 0.00 0.27 0.02 0.00 0.00 175.30 175.19 1bu9 n ASN 134 N 5.72 0.00 -0.04 0.23 0.23 -1.20 -4.53 115.26 115.67 1bu9 n ASN 134 Ca 0.13 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.06 1bu9 n ASN 134 Cb 0.44 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.00 0.27 -0.00 -2.53 3.86 -1.78 -3.02 115.15 111.95 1bu9 h HIS 135 Ca 0.00 -0.06 -0.21 0.00 -1.16 0.00 0.00 60.37 58.94 1bu9 h HIS 135 Cb 0.00 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1bu9 h HIS 135 CO 0.00 0.53 -0.91 -0.22 0.86 0.00 0.00 177.93 178.19 1bu9 h LYS 136 N -0.06 0.32 0.00 2.45 3.64 -1.91 -3.47 116.57 117.53 1bu9 h LYS 136 Ca 0.03 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1bu9 h LYS 136 Cb 0.44 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1bu9 h LYS 136 CO 0.01 1.04 0.00 0.41 -2.27 0.00 0.00 179.45 178.64 1bu9 n GLY 137 N 0.90 0.91 3.56 5.01 0.00 -1.14 -5.02 105.19 109.42 1bu9 n GLY 137 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.76 4.36 1.01 1.61 1.01 -1.26 -3.76 116.67 118.88 1bu9 s ASP 138 Ca 0.00 -0.39 -0.07 0.00 0.71 0.00 0.00 52.55 52.81 1bu9 s ASP 138 Cb 0.00 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.47 1bu9 s ASP 138 CO 0.00 -3.50 0.23 0.35 0.21 0.00 0.00 175.17 172.46 1bu9 n THR 139 N 8.43 0.00 0.23 -1.27 -2.24 -1.26 -3.24 114.28 114.94 1bu9 n THR 139 Ca 0.44 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.24 1bu9 n THR 139 Cb 0.45 -0.26 0.13 0.00 -2.10 0.00 0.00 70.33 68.54 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 -3.47 1.40 -0.10 6.98 0.00 -1.16 -2.16 120.51 122.00 1bu9 n ALA 140 Ca -0.05 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1bu9 n ALA 140 Cb 0.16 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.31 0.00 -0.09 0.00 9.92 -0.95 -1.29 116.55 120.84 1bu9 n ASP 142 Ca -0.43 -0.11 -0.11 0.00 -0.53 0.00 0.00 54.79 53.61 1bu9 n ASP 142 Cb 1.00 -0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 41.21 1bu9 n ASP 142 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1bu9 n LEU 143 N -1.24 1.88 0.28 0.64 4.77 -0.92 -2.98 117.00 119.43 1bu9 n LEU 143 Ca 0.11 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1bu9 n LEU 143 Cb 0.14 -0.83 0.81 0.00 -2.33 0.00 0.00 43.42 41.21 1bu9 n LEU 143 CO 0.15 -0.20 1.07 0.00 -1.33 0.00 0.00 177.39 177.08 1bu9 h ALA 144 N -0.94 1.57 0.43 -1.18 0.00 -1.54 -0.54 119.26 117.06 1bu9 h ALA 144 Ca -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1bu9 h ALA 144 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1bu9 h ALA 144 CO -0.07 0.05 -0.21 -0.09 0.00 0.00 0.00 179.25 178.93 1bu9 h ARG 145 N 0.00 -0.56 -0.86 0.00 9.65 -1.27 0.42 114.38 121.75 1bu9 h ARG 145 Ca -0.00 0.04 0.15 0.00 -1.10 0.00 0.00 59.98 59.07 1bu9 h ARG 145 Cb 0.09 0.13 -0.09 0.00 -1.39 0.00 0.00 29.97 28.70 1bu9 h ARG 145 CO 0.00 -0.37 0.45 -0.07 2.80 0.00 0.00 179.97 182.78 1bu9 h LEU 146 N -0.89 0.55 -0.41 3.80 3.38 -1.39 0.80 115.31 121.15 1bu9 h LEU 146 Ca -0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1bu9 h LEU 146 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1bu9 h LEU 146 CO 0.10 0.23 0.00 -1.22 0.09 0.00 0.00 178.44 177.64 1bu9 n TYR 147 N -4.86 0.36 0.00 1.13 4.01 -0.23 -4.85 117.16 112.72 1bu9 n TYR 147 Ca 0.17 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 1bu9 n TYR 147 Cb 0.44 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 1bu9 n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bu9 n GLY 148 N -0.39 2.75 3.53 2.72 0.00 0.28 -5.00 105.19 109.07 1bu9 n GLY 148 Ca 0.02 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1bu9 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bu9 n ARG 149 N 0.00 0.40 -0.07 1.61 3.00 0.14 -4.73 116.66 117.00 1bu9 n ARG 149 Ca 0.00 -0.22 -0.20 0.00 -0.01 0.00 0.00 57.85 57.41 1bu9 n ARG 149 Cb 0.00 -2.42 -0.12 0.00 0.00 0.00 0.00 32.46 29.92 1bu9 n ARG 149 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 1bu9 h ASN 150 N 13.80 0.10 -1.29 0.55 -1.07 -1.89 -2.55 115.58 123.23 1bu9 h ASN 150 Ca -0.06 -0.68 0.37 0.00 0.07 0.00 0.00 56.30 56.00 1bu9 h ASN 150 Cb 1.17 -0.03 -0.07 0.00 -2.07 0.00 0.00 38.32 37.33 1bu9 h ASN 150 CO 1.30 1.46 0.90 -0.08 0.07 0.00 0.00 177.43 181.08 1bu9 h GLU 151 N -0.80 0.07 0.07 4.14 4.57 -1.95 2.77 114.58 123.45 1bu9 h GLU 151 Ca -0.29 -0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.62 1bu9 h GLU 151 Cb 1.39 -0.02 0.03 0.00 -0.16 0.00 0.00 28.75 29.99 1bu9 h GLU 151 CO -0.11 0.04 -1.11 0.28 -1.18 0.00 0.00 179.01 176.94 1bu9 h VAL 152 N 0.07 1.30 0.38 0.32 2.07 -1.85 -1.46 116.25 117.08 1bu9 h VAL 152 Ca 0.64 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1bu9 h VAL 152 Cb 2.39 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 34.76 1bu9 h VAL 152 CO -0.09 0.72 -0.18 0.58 0.02 0.00 0.00 177.57 178.61 1bu9 h VAL 153 N 0.26 0.00 -1.11 2.57 2.07 0.45 -2.84 116.25 117.65 1bu9 h VAL 153 Ca -0.16 -0.15 0.31 0.00 0.82 0.00 0.00 66.70 67.52 1bu9 h VAL 153 Cb 1.78 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 1bu9 h VAL 153 CO 0.21 0.00 0.72 0.77 0.02 0.00 0.00 177.57 179.30 1bu9 h SER 154 N -0.66 0.36 -0.45 0.57 4.64 0.21 0.63 113.55 118.86 1bu9 h SER 154 Ca -0.05 0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1bu9 h SER 154 Cb 0.39 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 1bu9 h SER 154 CO 0.09 0.02 -0.47 0.25 -0.87 0.00 0.00 176.83 175.85 1bu9 h LEU 155 N 0.29 -1.56 0.00 5.97 7.12 -1.02 1.26 115.31 127.38 1bu9 h LEU 155 Ca 0.63 0.23 -0.04 0.00 0.13 0.00 0.00 57.88 58.84 1bu9 h LEU 155 Cb 1.79 0.68 -0.01 0.00 -0.53 0.00 0.00 40.66 42.59 1bu9 h LEU 155 CO -0.29 -0.37 -0.24 0.24 -0.13 0.00 0.00 178.44 177.65 1bu9 h MET 156 N -0.33 0.00 -0.98 1.25 2.86 -0.69 -1.45 114.93 115.59 1bu9 h MET 156 Ca 0.13 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 58.06 1bu9 h MET 156 Cb 0.58 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.10 1bu9 h MET 156 CO -0.61 0.68 0.51 1.96 1.06 0.00 0.00 176.91 180.52 1bu9 h GLN 157 N -1.00 0.34 0.23 1.72 4.20 0.23 0.19 115.11 121.02 1bu9 h GLN 157 Ca -0.06 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.31 1bu9 h GLN 157 Cb 0.77 -0.08 0.04 0.00 0.30 0.00 0.00 27.48 28.51 1bu9 h GLN 157 CO -0.03 0.23 -1.40 0.00 -0.67 0.00 0.00 178.83 176.95 1bu9 h ALA 158 N 1.81 -0.13 -0.08 3.87 0.00 0.15 -3.31 119.26 121.57 1bu9 h ALA 158 Ca 0.68 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1bu9 h ALA 158 Cb 1.47 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1bu9 h ALA 158 CO -0.59 0.67 -0.08 0.09 0.00 0.00 0.00 179.25 179.34 1bu9 n ASN 159 N -3.76 5.49 -3.46 0.00 5.03 0.58 -4.81 115.26 114.34 1bu9 n ASN 159 Ca -0.16 -2.55 -0.35 0.00 0.87 0.00 0.00 54.58 52.38 1bu9 n ASN 159 Cb 1.07 -1.24 0.03 0.00 -1.02 0.00 0.00 39.78 38.62 1bu9 n ASN 159 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bu9 n GLY 160 N 1.73 -0.07 0.00 7.41 0.00 -1.02 -4.82 105.19 108.42 1bu9 n GLY 160 Ca 0.23 1.14 0.00 0.00 0.00 0.00 0.00 46.02 47.39 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 -0.35 0.00 -2.47 4.61 0.00 -0.68 -4.67 120.51 116.95 1bu9 n ALA 161 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1bu9 n ALA 161 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.76 1.10 -0.11 0.00 0.00 -1.02 -2.55 107.32 103.97 1bu9 s GLY 162 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 1bu9 s GLY 162 CO 0.00 2.64 0.16 0.61 0.00 0.00 0.00 173.10 176.50 1bu9 n GLY 163 N 5.07 -4.95 0.00 0.20 0.00 -1.26 -4.60 105.19 99.64 1bu9 n GLY 163 Ca 0.13 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.21 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 1.39 0.00 -2.61 4.61 0.00 -1.26 -4.87 120.51 117.77 1bu9 n ALA 164 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1bu9 n ALA 164 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 1bu9 n ALA 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bu9 s THR 165 N 0.00 4.38 -0.02 0.00 2.01 -1.26 -4.82 115.64 115.94 1bu9 s THR 165 Ca 0.00 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.56 1bu9 s THR 165 Cb 0.00 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 1bu9 s THR 165 CO 0.00 -0.65 0.05 -3.20 -0.69 0.00 0.00 174.62 170.13 1bu9 n ASN 166 N 7.24 3.85 -4.70 3.53 2.85 -1.26 -4.99 115.26 121.79 1bu9 n ASN 166 Ca 0.12 -0.09 -0.42 0.00 -0.11 0.00 0.00 54.58 54.08 1bu9 n ASN 166 Cb 0.48 1.07 -0.03 0.00 1.24 0.00 0.00 39.78 42.54 1bu9 n ASN 166 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1bu9 s LEU 167 N -2.96 4.29 0.00 1.20 0.05 -1.26 -5.31 118.68 114.68 1bu9 s LEU 167 Ca -0.00 1.57 0.00 0.00 0.05 0.00 0.00 54.13 55.74 1bu9 s LEU 167 Cb 0.01 -3.55 0.00 0.00 -2.05 0.00 0.00 46.19 40.60 1bu9 s LEU 167 CO 0.08 -0.38 0.00 1.67 -0.55 0.00 0.00 176.35 177.17