#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 1.29 -0.40 3.04 0.00 -1.26 -4.96 121.76 119.46 1bu9 s ALA 2 Ca 0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 51.96 49.89 1bu9 s ALA 2 Cb 0.00 1.26 0.05 0.00 0.00 0.00 0.00 23.12 24.43 1bu9 s ALA 2 CO 0.00 -0.55 0.59 0.39 0.00 0.00 0.00 175.76 176.19 1bu9 n GLU 3 N -0.30 -1.70 -2.01 0.00 1.02 -1.26 -4.79 120.64 111.60 1bu9 n GLU 3 Ca 0.01 1.25 -0.29 0.00 -0.02 0.00 0.00 57.16 58.11 1bu9 n GLU 3 Cb 0.66 -1.76 0.16 0.00 -0.02 0.00 0.00 31.44 30.48 1bu9 n GLU 3 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1bu9 s PRO 4 N -2.20 1.01 0.31 3.49 0.04 -1.26 -4.09 135.00 132.29 1bu9 s PRO 4 Ca 0.34 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1bu9 s PRO 4 Cb -0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1bu9 s PRO 4 CO 0.78 -2.14 0.00 1.87 0.04 0.00 0.00 177.00 177.54 1bu9 n TRP 5 N -3.57 -5.05 0.00 0.56 -0.00 -1.26 -4.46 117.44 103.67 1bu9 n TRP 5 Ca 0.14 2.83 0.00 0.00 -0.00 0.00 0.00 57.50 60.47 1bu9 n TRP 5 Cb 0.60 -3.76 0.00 0.00 -0.00 0.00 0.00 31.31 28.15 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 1.22 2.29 0.63 5.87 0.00 -1.26 -4.54 105.19 109.40 1bu9 n GLY 6 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 2.12 1.42 0.05 1.61 5.15 -1.26 -4.32 115.26 120.02 1bu9 n ASN 7 Ca 0.00 0.21 -0.09 0.00 -0.60 0.00 0.00 54.58 54.11 1bu9 n ASN 7 Cb 0.00 -0.50 -0.06 0.00 -0.53 0.00 0.00 39.78 38.69 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1bu9 h GLU 8 N -0.42 -0.21 0.75 1.20 4.81 -1.80 -2.87 114.58 116.04 1bu9 h GLU 8 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1bu9 h GLU 8 Cb 0.42 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1bu9 h GLU 8 CO 0.00 0.15 -0.39 1.25 -0.73 0.00 0.00 179.01 179.29 1bu9 h LEU 9 N -0.95 -0.94 -1.75 1.64 5.85 -1.86 -1.73 115.31 115.56 1bu9 h LEU 9 Ca -0.02 0.04 0.46 0.00 0.84 0.00 0.00 57.88 59.20 1bu9 h LEU 9 Cb 0.46 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1bu9 h LEU 9 CO 0.04 -0.64 1.06 0.00 -0.34 0.00 0.00 178.44 178.56 1bu9 h ALA 10 N -1.45 3.23 0.27 1.25 0.00 -1.75 1.62 119.26 122.42 1bu9 h ALA 10 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1bu9 h ALA 10 Cb 0.81 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bu9 h ALA 10 CO 0.15 -1.76 -0.21 1.03 0.00 0.00 0.00 179.25 178.45 1bu9 h SER 11 N 0.05 -0.56 -0.03 0.00 0.87 -1.07 0.97 113.55 113.77 1bu9 h SER 11 Ca 0.81 0.04 -0.25 0.00 -1.23 0.00 0.00 61.79 61.15 1bu9 h SER 11 Cb 2.93 0.18 0.02 0.00 -0.44 0.00 0.00 62.40 65.08 1bu9 h SER 11 CO -0.18 -0.30 -0.96 0.00 -0.53 0.00 0.00 176.83 174.86 1bu9 h ALA 12 N -1.48 0.15 -0.90 6.23 0.00 -0.65 0.13 119.26 122.73 1bu9 h ALA 12 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1bu9 h ALA 12 Cb 0.39 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1bu9 h ALA 12 CO 0.00 0.66 0.51 0.00 0.00 0.00 0.00 179.25 180.42 1bu9 h ALA 13 N 0.42 1.20 -0.03 0.00 0.00 0.22 1.09 119.26 122.16 1bu9 h ALA 13 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bu9 h ALA 13 Cb 1.62 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1bu9 h ALA 13 CO 0.19 0.66 -0.00 0.00 0.00 0.00 0.00 179.25 180.09 1bu9 n ALA 14 N -2.41 2.50 -0.04 0.00 0.00 0.33 0.21 120.51 121.11 1bu9 n ALA 14 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 1bu9 n ALA 14 Cb 0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 1.05 0.66 0.00 0.00 3.00 0.03 -4.56 116.66 116.84 1bu9 n ARG 15 Ca 0.15 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1bu9 n ARG 15 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.38 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 1.54 1.56 3.47 5.14 0.00 0.24 -5.00 105.19 112.14 1bu9 n GLY 16 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 6.33 0.00 1.61 1.01 0.35 -4.90 116.67 119.08 1bu9 s ASP 17 Ca 0.00 -1.31 -0.13 0.00 0.71 0.00 0.00 52.55 51.81 1bu9 s ASP 17 Cb 0.00 -2.43 -0.07 0.00 1.01 0.00 0.00 42.92 41.42 1bu9 s ASP 17 CO 0.00 -1.36 0.86 0.25 0.21 0.00 0.00 175.17 175.14 1bu9 h LEU 18 N 11.28 -0.40 -0.62 1.23 5.85 -1.94 -3.27 115.31 127.44 1bu9 h LEU 18 Ca -0.11 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.73 1bu9 h LEU 18 Cb 1.05 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.07 1bu9 h LEU 18 CO 1.19 -0.20 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.43 1bu9 h GLU 19 N -0.65 -0.14 -0.96 1.25 5.08 -1.97 -0.86 114.58 116.34 1bu9 h GLU 19 Ca -0.05 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.56 1bu9 h GLU 19 Cb 0.36 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.46 1bu9 h GLU 19 CO 0.08 -0.09 -0.09 0.94 -1.00 0.00 0.00 179.01 178.85 1bu9 n GLN 20 N -5.44 -0.08 -0.30 2.33 -0.06 -1.24 0.16 117.38 112.75 1bu9 n GLN 20 Ca 0.05 1.46 -0.04 0.00 -2.00 0.00 0.00 57.00 56.47 1bu9 n GLN 20 Cb 0.36 -2.26 0.10 0.00 -4.06 0.00 0.00 30.24 24.38 1bu9 n GLN 20 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1bu9 h LEU 21 N 0.00 1.08 0.11 1.69 8.10 -1.20 -2.34 115.31 122.74 1bu9 h LEU 21 Ca 0.53 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 58.40 1bu9 h LEU 21 Cb 0.99 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.92 1bu9 h LEU 21 CO -0.94 0.90 -0.24 0.74 -4.11 0.00 0.00 178.44 174.79 1bu9 h THR 22 N 1.18 0.00 -1.11 0.15 2.02 0.17 0.37 112.91 115.69 1bu9 h THR 22 Ca 0.29 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.77 1bu9 h THR 22 Cb 0.10 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.42 1bu9 h THR 22 CO -0.04 0.00 0.74 -1.28 0.37 0.00 0.00 175.52 175.31 1bu9 h SER 23 N -0.38 0.29 -0.12 4.18 0.87 -1.38 0.77 113.55 117.78 1bu9 h SER 23 Ca -0.01 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1bu9 h SER 23 Cb 0.37 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1bu9 h SER 23 CO -0.11 0.04 -0.32 -0.07 -0.53 0.00 0.00 176.83 175.84 1bu9 h LEU 24 N 0.25 0.63 -0.08 2.23 4.07 -0.39 -1.85 115.31 120.17 1bu9 h LEU 24 Ca 0.60 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 58.27 1bu9 h LEU 24 Cb 1.82 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.39 1bu9 h LEU 24 CO -0.22 0.91 -0.11 0.25 -1.08 0.00 0.00 178.44 178.19 1bu9 h LEU 25 N 0.52 0.23 -0.12 1.67 5.85 0.44 0.59 115.31 124.49 1bu9 h LEU 25 Ca 0.06 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1bu9 h LEU 25 Cb 0.81 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1bu9 h LEU 25 CO 0.07 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.88 1bu9 n GLN 26 N -4.65 0.02 -0.08 1.25 10.64 -0.46 -3.50 117.38 120.60 1bu9 n GLN 26 Ca -0.07 0.34 -0.08 0.00 -1.83 0.00 0.00 57.00 55.35 1bu9 n GLN 26 Cb 0.34 -1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 28.14 1bu9 n GLN 26 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1bu9 n ASN 27 N -1.60 1.81 0.00 2.61 5.15 -0.70 -5.08 115.26 117.45 1bu9 n ASN 27 Ca 0.02 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1bu9 n ASN 27 Cb 0.13 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bu9 n ASN 28 N -4.32 0.00 -3.58 1.20 3.02 0.20 -5.08 115.26 106.70 1bu9 n ASN 28 Ca -0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.33 1bu9 n ASN 28 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1bu9 s VAL 29 N -0.68 0.00 -0.61 2.41 -7.23 -1.26 -4.54 120.40 108.49 1bu9 s VAL 29 Ca 0.00 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1bu9 s VAL 29 Cb 0.00 -2.40 0.22 0.00 0.56 0.00 0.00 36.38 34.75 1bu9 s VAL 29 CO 0.00 0.00 0.60 0.59 -0.31 0.00 0.00 175.10 175.98 1bu9 n ASN 30 N -0.84 2.69 -0.36 4.85 3.02 -1.26 -4.93 115.26 118.43 1bu9 n ASN 30 Ca -0.03 -3.18 0.36 0.00 -0.03 0.00 0.00 54.58 51.70 1bu9 n ASN 30 Cb 0.61 -0.68 0.56 0.00 -0.61 0.00 0.00 39.78 39.66 1bu9 n ASN 30 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1bu9 h VAL 31 N 3.52 0.01 -0.27 2.41 2.07 -1.96 2.51 116.25 124.55 1bu9 h VAL 31 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1bu9 h VAL 31 Cb 0.74 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1bu9 h VAL 31 CO 0.71 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.89 1bu9 n ASN 32 N -3.47 3.26 -3.25 0.57 5.03 -1.26 -4.67 115.26 111.46 1bu9 n ASN 32 Ca 0.30 -2.51 0.00 0.00 0.87 0.00 0.00 54.58 53.23 1bu9 n ASN 32 Cb 1.67 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 40.06 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 -0.12 0.00 -3.39 5.41 0.00 0.84 -5.03 120.51 118.23 1bu9 n ALA 33 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1bu9 n ALA 33 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.53 0.27 0.00 0.00 -0.21 -1.26 -4.58 119.66 113.36 1bu9 s GLN 34 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.07 1bu9 s GLN 34 Cb 0.00 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.42 1bu9 s GLN 34 CO 0.00 -0.09 0.00 -1.71 -2.12 0.00 0.00 175.29 171.37 1bu9 n ASN 35 N 4.94 -0.17 0.14 5.90 4.05 -1.15 -4.84 115.26 124.11 1bu9 n ASN 35 Ca -0.09 -0.11 0.12 0.00 0.45 0.00 0.00 54.58 54.96 1bu9 n ASN 35 Cb 0.53 0.00 0.25 0.00 1.23 0.00 0.00 39.78 41.79 1bu9 n ASN 35 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1bu9 h GLY 36 N -0.09 0.00 -3.39 8.20 0.00 -1.87 -3.13 103.07 102.80 1bu9 h GLY 36 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1bu9 h GLY 36 CO 0.00 0.00 0.11 0.69 0.00 0.00 0.00 176.54 177.34 1bu9 n PHE 37 N -2.55 2.04 -1.80 5.60 3.72 -1.26 -4.84 117.46 118.36 1bu9 n PHE 37 Ca 0.04 -0.85 -0.18 0.00 -0.05 0.00 0.00 57.45 56.41 1bu9 n PHE 37 Cb 0.48 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 38.41 1bu9 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bu9 n GLY 38 N 0.27 0.97 3.17 1.37 0.00 -1.18 -3.63 105.19 106.15 1bu9 n GLY 38 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 1bu9 n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bu9 s ARG 39 N -4.00 2.47 0.80 1.61 6.06 -1.26 -4.21 118.95 120.43 1bu9 s ARG 39 Ca 0.00 -2.05 -0.13 0.00 -2.50 0.00 0.00 55.73 51.05 1bu9 s ARG 39 Cb 0.00 -3.83 0.08 0.00 0.06 0.00 0.00 34.95 31.26 1bu9 s ARG 39 CO 0.00 -1.17 1.18 0.95 -2.50 0.00 0.00 175.30 173.77 1bu9 s THR 40 N 0.80 2.26 0.52 4.11 -4.23 -1.26 -2.94 115.64 114.91 1bu9 s THR 40 Ca 0.11 0.11 0.28 0.00 -1.18 0.00 0.00 61.69 61.01 1bu9 s THR 40 Cb -0.22 -2.50 0.45 0.00 1.34 0.00 0.00 72.50 71.57 1bu9 s THR 40 CO -0.03 -0.09 1.91 0.00 -0.54 0.00 0.00 174.62 175.87 1bu9 h ALA 41 N -0.89 2.69 0.00 3.99 0.00 -1.88 2.61 119.26 125.78 1bu9 h ALA 41 Ca -0.46 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1bu9 h ALA 41 Cb 1.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1bu9 h ALA 41 CO 0.47 -0.92 -0.27 1.25 0.00 0.00 0.00 179.25 179.78 1bu9 h LEU 42 N 0.05 0.00 0.11 0.00 7.12 -1.90 0.70 115.31 121.39 1bu9 h LEU 42 Ca 0.39 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 58.13 1bu9 h LEU 42 Cb 1.48 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1bu9 h LEU 42 CO -0.03 0.27 -1.38 1.56 -0.13 0.00 0.00 178.44 178.73 1bu9 h GLN 43 N 0.00 0.23 -0.68 1.25 4.20 0.39 -3.32 115.11 117.17 1bu9 h GLN 43 Ca -0.00 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.25 1bu9 h GLN 43 Cb 0.61 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 1bu9 h GLN 43 CO 0.03 1.19 0.15 -0.39 -0.67 0.00 0.00 178.83 179.14 1bu9 h VAL 44 N -0.35 1.26 0.00 -0.54 -1.51 0.30 -3.46 116.25 111.95 1bu9 h VAL 44 Ca -0.30 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1bu9 h VAL 44 Cb 1.72 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1bu9 h VAL 44 CO 0.05 0.37 0.00 0.23 -1.23 0.00 0.00 177.57 176.99 1bu9 n MET 45 N -4.23 0.00 -1.68 5.19 2.81 0.24 -4.43 117.12 115.02 1bu9 n MET 45 Ca 0.05 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.66 1bu9 n MET 45 Cb 0.27 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.70 1bu9 n MET 45 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1bu9 n LYS 46 N 0.39 1.08 0.16 0.03 4.76 0.57 -4.68 118.16 120.47 1bu9 n LYS 46 Ca 0.00 -2.07 0.09 0.00 -2.87 0.00 0.00 58.31 53.46 1bu9 n LYS 46 Cb 0.00 -3.57 0.16 0.00 -1.84 0.00 0.00 35.03 29.78 1bu9 n LYS 46 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bu9 h LEU 47 N 18.45 0.00 -0.82 -0.35 -0.00 -1.86 -0.96 115.31 129.77 1bu9 h LEU 47 Ca 0.20 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.15 1bu9 h LEU 47 Cb 0.89 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.46 1bu9 h LEU 47 CO 1.34 0.00 -0.48 0.61 -0.00 0.00 0.00 178.44 179.91 1bu9 n GLY 48 N -1.56 -2.38 3.78 0.83 0.00 -1.26 -3.39 105.19 101.21 1bu9 n GLY 48 Ca 0.07 1.02 -0.37 0.00 0.00 0.00 0.00 46.02 46.74 1bu9 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bu9 s ASN 49 N -5.23 6.64 0.11 1.61 4.22 -0.37 -4.93 114.94 117.00 1bu9 s ASN 49 Ca -0.10 0.76 0.23 0.00 -2.14 0.00 0.00 52.86 51.61 1bu9 s ASN 49 Cb 0.09 -2.22 0.08 0.00 1.28 0.00 0.00 41.25 40.47 1bu9 s ASN 49 CO 0.51 0.20 1.06 -0.81 -2.04 0.00 0.00 177.10 176.02 1bu9 n PRO 50 N 2.73 0.42 0.23 3.55 -0.04 -1.22 -3.52 135.00 137.15 1bu9 n PRO 50 Ca -0.12 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1bu9 n PRO 50 Cb 0.52 -1.68 0.41 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.74 0.54 4.11 -1.91 -3.04 114.58 113.55 1bu9 h GLU 51 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.54 1bu9 h GLU 51 Cb 0.84 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.97 1bu9 h GLU 51 CO 0.00 0.14 -0.43 0.82 0.07 0.00 0.00 179.01 179.60 1bu9 h ILE 52 N 0.00 0.06 0.04 -1.06 2.04 -1.90 0.44 117.51 117.13 1bu9 h ILE 52 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1bu9 h ILE 52 Cb 0.81 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1bu9 h ILE 52 CO 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.15 1bu9 h ALA 53 N 0.83 -0.06 -0.66 1.87 0.00 -1.78 -3.15 119.26 116.31 1bu9 h ALA 53 Ca 0.22 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1bu9 h ALA 53 Cb 0.55 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1bu9 h ALA 53 CO -0.80 -0.31 -0.39 -2.13 0.00 0.00 0.00 179.25 175.62 1bu9 n ARG 54 N -4.91 -0.29 -0.31 0.00 0.63 -0.22 0.32 116.66 111.89 1bu9 n ARG 54 Ca -0.08 1.16 0.15 0.00 -0.92 0.00 0.00 57.85 58.16 1bu9 n ARG 54 Cb 0.23 -1.72 0.33 0.00 0.45 0.00 0.00 32.46 31.75 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 0.25 0.06 -0.14 9.65 -1.02 1.74 114.38 124.92 1bu9 h ARG 55 Ca 0.10 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1bu9 h ARG 55 Cb 0.27 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1bu9 h ARG 55 CO -0.62 0.17 -0.03 -0.07 2.80 0.00 0.00 179.97 182.22 1bu9 h LEU 56 N 0.26 -0.07 -1.00 3.80 3.38 0.41 -3.32 115.31 118.77 1bu9 h LEU 56 Ca 0.59 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.93 1bu9 h LEU 56 Cb 1.20 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 1bu9 h LEU 56 CO -0.63 0.13 0.42 0.25 0.09 0.00 0.00 178.44 178.70 1bu9 h LEU 57 N -0.44 0.14 -0.82 1.67 7.12 0.58 0.55 115.31 124.11 1bu9 h LEU 57 Ca -0.01 0.26 0.20 0.00 0.13 0.00 0.00 57.88 58.46 1bu9 h LEU 57 Cb 0.06 0.31 -0.12 0.00 -0.53 0.00 0.00 40.66 40.38 1bu9 h LEU 57 CO 0.01 -0.39 0.24 -0.07 -0.13 0.00 0.00 178.44 178.10 1bu9 h LEU 58 N 0.03 0.07 0.00 2.25 -0.00 0.25 2.23 115.31 120.14 1bu9 h LEU 58 Ca 0.78 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.83 1bu9 h LEU 58 Cb 1.95 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.82 1bu9 h LEU 58 CO -0.79 -0.07 0.00 -1.14 -0.00 0.00 0.00 178.44 176.44 1bu9 n ARG 59 N -5.16 0.26 0.00 1.13 3.00 0.19 -4.83 116.66 111.25 1bu9 n ARG 59 Ca 0.18 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.15 1bu9 n ARG 59 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.53 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 0.25 0.76 3.30 5.14 0.00 0.75 -5.10 105.19 110.29 1bu9 n GLY 60 Ca 0.09 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.07 3.01 -0.48 4.61 0.00 -0.96 -4.89 121.76 121.98 1bu9 s ALA 61 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 51.96 50.10 1bu9 s ALA 61 Cb 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 23.12 20.89 1bu9 s ALA 61 CO 0.00 -1.02 2.33 0.09 0.00 0.00 0.00 175.76 177.15 1bu9 n ASN 62 N 4.82 1.91 0.23 0.00 3.02 -1.26 -4.73 115.26 119.25 1bu9 n ASN 62 Ca -0.14 0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 1bu9 n ASN 62 Cb 0.47 -1.29 0.55 0.00 -0.61 0.00 0.00 39.78 38.90 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 14.03 0.00 -0.00 3.52 0.13 -1.90 -1.39 132.00 146.39 1bu9 h PRO 63 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1bu9 h PRO 63 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1bu9 h PRO 63 CO 1.11 0.22 -0.01 -3.47 -0.23 0.00 0.00 178.00 175.63 1bu9 n ASP 64 N -3.83 0.08 -3.82 1.44 -0.08 -1.26 -0.24 116.55 108.85 1bu9 n ASP 64 Ca -0.02 -0.78 -0.27 0.00 -1.51 0.00 0.00 54.79 52.21 1bu9 n ASP 64 Cb 0.32 -0.08 -0.16 0.00 2.34 0.00 0.00 41.12 43.54 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 -1.02 -0.46 -4.70 -2.67 4.77 -0.52 -4.04 117.00 108.35 1bu9 n LEU 65 Ca 0.21 -0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.74 1bu9 n LEU 65 Cb 0.16 -0.62 0.14 0.00 -2.33 0.00 0.00 43.42 40.77 1bu9 n LEU 65 CO 0.20 -0.90 0.68 -0.54 -1.33 0.00 0.00 177.39 175.49 1bu9 s LYS 66 N 6.83 1.38 0.06 3.23 -0.14 -1.25 -2.20 119.74 127.64 1bu9 s LYS 66 Ca 1.14 1.31 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 1bu9 s LYS 66 Cb -0.90 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 1bu9 s LYS 66 CO 0.45 -2.30 0.01 -3.47 -0.76 0.00 0.00 175.35 169.27 1bu9 n ASP 67 N -3.99 1.98 -0.25 2.83 2.03 -0.38 -4.70 116.55 114.07 1bu9 n ASP 67 Ca 0.10 -1.24 0.32 0.00 0.52 0.00 0.00 54.79 54.49 1bu9 n ASP 67 Cb 0.53 0.03 0.73 0.00 -0.72 0.00 0.00 41.12 41.69 1bu9 n ASP 67 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1bu9 h ARG 68 N 0.00 0.00 -0.79 -0.67 -0.00 -1.73 2.18 114.38 113.36 1bu9 h ARG 68 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.74 1bu9 h ARG 68 Cb 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 29.99 1bu9 h ARG 68 CO 0.07 0.00 0.25 0.25 -0.00 0.00 0.00 179.97 180.54 1bu9 n THR 69 N -4.12 2.63 -1.26 0.08 -2.24 -1.26 -4.84 114.28 103.28 1bu9 n THR 69 Ca 0.22 -1.41 -0.10 0.00 -2.27 0.00 0.00 64.05 60.49 1bu9 n THR 69 Cb 1.14 -0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.09 0.98 3.59 3.38 0.00 0.73 0.15 105.19 113.94 1bu9 n GLY 70 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.83 2.08 0.64 1.61 0.40 -1.24 -3.36 117.98 116.28 1bu9 s PHE 71 Ca 0.00 0.64 -0.17 0.00 -0.60 0.00 0.00 56.93 56.80 1bu9 s PHE 71 Cb 0.00 -4.23 -0.01 0.00 0.51 0.00 0.00 43.02 39.29 1bu9 s PHE 71 CO 0.00 -2.41 1.19 0.00 0.70 0.00 0.00 175.22 174.70 1bu9 s ALA 72 N 6.42 2.41 0.51 5.36 0.00 -1.22 -1.25 121.76 133.99 1bu9 s ALA 72 Ca 0.69 0.91 0.35 0.00 0.00 0.00 0.00 51.96 53.90 1bu9 s ALA 72 Cb -0.17 -3.44 1.49 0.00 0.00 0.00 0.00 23.12 21.00 1bu9 s ALA 72 CO 0.31 -1.38 1.77 0.28 0.00 0.00 0.00 175.76 176.73 1bu9 h VAL 73 N 0.43 0.37 -0.86 0.00 2.07 -0.12 2.44 116.25 120.57 1bu9 h VAL 73 Ca -0.49 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.16 1bu9 h VAL 73 Cb 1.29 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 1bu9 h VAL 73 CO 0.53 0.01 0.45 0.40 0.02 0.00 0.00 177.57 178.98 1bu9 h ILE 74 N 0.07 0.71 0.05 4.57 2.04 -1.77 0.90 117.51 124.07 1bu9 h ILE 74 Ca 0.62 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1bu9 h ILE 74 Cb 2.31 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1bu9 h ILE 74 CO -0.08 0.11 -0.12 0.45 0.00 0.00 0.00 178.15 178.51 1bu9 h HIS 75 N 0.62 -0.36 -1.46 1.37 3.86 0.39 0.28 115.15 119.86 1bu9 h HIS 75 Ca 0.48 0.01 0.48 0.00 -1.16 0.00 0.00 60.37 60.17 1bu9 h HIS 75 Cb 0.69 0.15 -0.12 0.00 1.06 0.00 0.00 27.41 29.20 1bu9 h HIS 75 CO -0.09 -0.15 0.97 -0.25 0.86 0.00 0.00 177.93 179.28 1bu9 n ASP 76 N -3.14 0.15 0.07 2.45 8.00 -0.45 0.27 116.55 123.90 1bu9 n ASP 76 Ca -0.02 1.23 -0.03 0.00 0.71 0.00 0.00 54.79 56.68 1bu9 n ASP 76 Cb 0.10 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 40.58 1bu9 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bu9 h ALA 77 N 1.38 -0.51 0.04 2.24 0.00 0.18 -3.34 119.26 119.25 1bu9 h ALA 77 Ca 0.85 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.58 1bu9 h ALA 77 Cb 2.93 0.08 0.01 0.00 0.00 0.00 0.00 17.79 20.81 1bu9 h ALA 77 CO -0.34 -0.50 -0.59 0.00 0.00 0.00 0.00 179.25 177.83 1bu9 h ALA 78 N -1.74 0.02 -0.46 0.00 0.00 0.98 1.87 119.26 119.92 1bu9 h ALA 78 Ca -0.02 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.34 1bu9 h ALA 78 Cb 0.15 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1bu9 h ALA 78 CO 0.03 0.30 -0.27 -2.13 0.00 0.00 0.00 179.25 177.19 1bu9 n ARG 79 N -4.25 -0.20 0.09 0.00 0.00 0.75 -0.37 116.66 112.67 1bu9 n ARG 79 Ca -0.11 0.80 -0.22 0.00 -0.00 0.00 0.00 57.85 58.32 1bu9 n ARG 79 Cb 0.68 -1.19 -0.13 0.00 0.00 0.00 0.00 32.46 31.83 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 0.11 -0.02 0.00 5.13 0.00 -1.70 -3.41 119.26 119.38 1bu9 h ALA 80 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1bu9 h ALA 80 Cb 0.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bu9 h ALA 80 CO -0.43 0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1bu9 n GLY 81 N 1.39 0.07 2.70 0.00 0.00 0.50 -5.07 105.19 104.78 1bu9 n GLY 81 Ca -0.14 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 2.19 -0.05 1.61 0.08 0.63 -4.96 117.98 117.47 1bu9 s PHE 82 Ca 0.00 -2.62 -0.21 0.00 0.12 0.00 0.00 56.93 54.22 1bu9 s PHE 82 Cb 0.00 -1.91 -0.16 0.00 -0.57 0.00 0.00 43.02 40.38 1bu9 s PHE 82 CO 0.00 -0.74 0.87 1.25 -0.10 0.00 0.00 175.22 176.51 1bu9 h LEU 83 N 6.25 -0.16 -1.67 -0.37 6.46 -1.94 0.01 115.31 123.88 1bu9 h LEU 83 Ca 0.07 -0.39 0.18 0.00 -0.12 0.00 0.00 57.88 57.63 1bu9 h LEU 83 Cb 0.89 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 1bu9 h LEU 83 CO 0.52 0.41 0.71 0.44 -0.62 0.00 0.00 178.44 179.90 1bu9 h ASP 84 N -0.85 0.00 0.46 1.25 3.32 -1.95 3.40 116.42 122.06 1bu9 h ASP 84 Ca -0.02 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.75 1bu9 h ASP 84 Cb 0.54 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 1bu9 h ASP 84 CO 0.03 0.00 -1.25 0.74 -1.72 0.00 0.00 179.24 177.04 1bu9 h THR 85 N 0.00 1.42 0.00 0.35 2.02 -1.79 -2.05 112.91 112.86 1bu9 h THR 85 Ca 0.30 -2.83 -0.05 0.00 0.77 0.00 0.00 66.41 64.59 1bu9 h THR 85 Cb 1.73 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 70.99 1bu9 h THR 85 CO -0.00 0.84 -0.25 0.25 0.37 0.00 0.00 175.52 176.72 1bu9 h LEU 86 N 0.13 0.00 -0.27 2.58 6.46 0.78 -2.16 115.31 122.84 1bu9 h LEU 86 Ca -0.16 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.45 1bu9 h LEU 86 Cb 1.95 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.88 1bu9 h LEU 86 CO 0.22 0.25 -0.43 1.56 -0.62 0.00 0.00 178.44 179.41 1bu9 h GLN 87 N 0.00 0.76 0.08 1.25 4.20 0.13 -0.32 115.11 121.21 1bu9 h GLN 87 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1bu9 h GLN 87 Cb 0.58 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1bu9 h GLN 87 CO 0.03 1.09 -0.21 1.15 -0.67 0.00 0.00 178.83 180.23 1bu9 h THR 88 N 0.51 0.00 -0.31 -0.54 2.02 -0.71 1.72 112.91 115.60 1bu9 h THR 88 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 1bu9 h THR 88 Cb 1.03 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 1bu9 h THR 88 CO 0.10 0.00 -0.41 -0.07 0.37 0.00 0.00 175.52 175.50 1bu9 h LEU 89 N -0.32 -1.35 -0.07 2.58 3.38 -1.56 2.07 115.31 120.05 1bu9 h LEU 89 Ca -0.01 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1bu9 h LEU 89 Cb 0.31 0.58 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1bu9 h LEU 89 CO -0.10 -0.38 -0.49 0.25 0.09 0.00 0.00 178.44 177.81 1bu9 h LEU 90 N -0.38 -1.55 -1.18 1.67 7.12 -0.54 1.24 115.31 121.70 1bu9 h LEU 90 Ca 0.12 0.18 0.28 0.00 0.13 0.00 0.00 57.88 58.59 1bu9 h LEU 90 Cb 0.59 0.60 -0.12 0.00 -0.53 0.00 0.00 40.66 41.20 1bu9 h LEU 90 CO -0.51 -0.46 0.64 -0.08 -0.13 0.00 0.00 178.44 177.91 1bu9 h GLU 91 N -0.57 0.41 -1.09 1.25 4.57 0.39 2.03 114.58 121.58 1bu9 h GLU 91 Ca 0.02 -0.02 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 1bu9 h GLU 91 Cb 0.64 -0.09 -0.15 0.00 -0.16 0.00 0.00 28.75 28.98 1bu9 h GLU 91 CO -0.37 0.27 0.35 1.19 -1.18 0.00 0.00 179.01 179.28 1bu9 n PHE 92 N -4.80 1.57 -3.63 0.92 3.72 0.69 -4.91 117.46 111.02 1bu9 n PHE 92 Ca 0.28 -1.33 -0.23 0.00 -0.05 0.00 0.00 57.45 56.13 1bu9 n PHE 92 Cb 0.90 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.23 -1.18 0.00 -1.08 6.02 0.69 -4.84 117.38 116.76 1bu9 n GLN 93 Ca 0.31 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1bu9 n GLN 93 Cb 1.01 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.50 0.00 0.00 -1.58 0.00 -0.38 -4.90 120.51 111.15 1bu9 n ALA 94 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1bu9 n ALA 94 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.05 0.00 0.19 0.00 8.00 -1.26 -4.80 116.55 118.63 1bu9 n ASP 95 Ca 0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 1bu9 n ASP 95 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.82 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 0.18 -0.53 2.53 3.04 -1.97 2.10 116.25 121.61 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 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 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 -3.29 5.15 -4.64 3.17 5.03 -1.26 -4.70 115.26 114.73 1bu9 n ASN 97 Ca 0.04 -2.78 -0.43 0.00 0.87 0.00 0.00 54.58 52.28 1bu9 n ASN 97 Cb 0.59 -0.65 -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 -2.49 3.94 0.00 2.41 -1.16 0.71 -4.93 121.20 119.69 1bu9 s ILE 98 Ca 0.49 1.09 0.00 0.00 -0.51 0.00 0.00 60.65 61.71 1bu9 s ILE 98 Cb 0.36 -3.89 0.00 0.00 0.61 0.00 0.00 42.46 39.54 1bu9 s ILE 98 CO 0.15 -0.31 0.00 -0.62 -2.81 0.00 0.00 174.94 171.35 1bu9 n GLU 99 N 7.31 2.16 0.00 3.50 1.02 -1.26 -3.05 120.64 130.32 1bu9 n GLU 99 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1bu9 n GLU 99 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 -1.08 1.62 5.75 0.57 -3.41 116.55 120.00 1bu9 n ASP 100 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 1bu9 n ASP 100 Cb 0.00 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.29 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 3.07 0.00 -1.12 4.13 0.41 -4.34 115.26 117.41 1bu9 n ASN 101 Ca 0.00 -2.33 0.00 0.00 1.68 0.00 0.00 54.58 53.93 1bu9 n ASN 101 Cb 0.00 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 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 0.45 0.00 0.00 3.52 1.02 -1.26 -4.87 120.64 119.49 1bu9 n GLU 102 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1bu9 n GLU 102 Cb 0.62 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 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 0.08 0.00 3.71 0.62 0.00 -1.26 -3.71 105.19 104.63 1bu9 n GLY 103 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 7.32 0.68 1.61 -0.87 -1.26 -3.99 114.94 118.43 1bu9 s ASN 104 Ca 0.00 1.73 -0.07 0.00 -1.57 0.00 0.00 52.86 52.95 1bu9 s ASN 104 Cb 0.00 -2.57 0.05 0.00 -0.02 0.00 0.00 41.25 38.70 1bu9 s ASN 104 CO 0.00 -0.30 1.00 -0.76 -2.57 0.00 0.00 177.10 174.48 1bu9 s LEU 105 N 1.00 2.90 0.64 0.60 1.43 -1.26 0.21 118.68 124.20 1bu9 s LEU 105 Ca 0.53 0.58 0.41 0.00 -1.03 0.00 0.00 54.13 54.62 1bu9 s LEU 105 Cb -0.23 -3.27 2.25 0.00 0.03 0.00 0.00 46.19 44.97 1bu9 s LEU 105 CO 0.28 -1.48 2.33 1.55 0.23 0.00 0.00 176.35 179.27 1bu9 h PRO 106 N -0.53 0.00 0.02 1.29 0.13 -1.82 0.20 132.00 131.29 1bu9 h PRO 106 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bu9 h PRO 106 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1bu9 h PRO 106 CO 0.61 0.00 -0.01 1.25 -0.23 0.00 0.00 178.00 179.62 1bu9 h LEU 107 N 0.00 -0.02 -1.61 1.56 6.46 -1.87 0.53 115.31 120.36 1bu9 h LEU 107 Ca -0.00 -0.74 0.25 0.00 -0.12 0.00 0.00 57.88 57.26 1bu9 h LEU 107 Cb 0.02 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.89 1bu9 h LEU 107 CO 0.00 0.79 0.65 0.45 -0.62 0.00 0.00 178.44 179.71 1bu9 h HIS 108 N -0.89 0.42 0.38 1.25 3.86 -1.22 0.42 115.15 119.37 1bu9 h HIS 108 Ca -0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1bu9 h HIS 108 Cb 0.76 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1bu9 h HIS 108 CO 0.20 0.08 -0.18 -0.07 0.86 0.00 0.00 177.93 178.81 1bu9 h LEU 109 N 0.29 -0.43 -1.92 2.43 4.07 -0.51 0.13 115.31 119.36 1bu9 h LEU 109 Ca 0.51 0.01 0.42 0.00 0.08 0.00 0.00 57.88 58.90 1bu9 h LEU 109 Cb 1.48 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 43.26 1bu9 h LEU 109 CO -0.16 -0.21 1.03 0.00 -1.08 0.00 0.00 178.44 178.02 1bu9 h ALA 110 N -1.57 3.29 -0.33 1.53 0.00 0.36 2.48 119.26 125.02 1bu9 h ALA 110 Ca -0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1bu9 h ALA 110 Cb 0.39 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1bu9 h ALA 110 CO 0.09 -1.73 -0.45 0.00 0.00 0.00 0.00 179.25 177.15 1bu9 h ALA 111 N 1.31 0.51 -0.54 0.00 0.00 0.24 3.02 119.26 123.79 1bu9 h ALA 111 Ca 0.71 -0.48 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1bu9 h ALA 111 Cb 2.74 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 20.35 1bu9 h ALA 111 CO -0.05 0.66 0.07 0.87 0.00 0.00 0.00 179.25 180.80 1bu9 h LYS 112 N 0.70 0.19 0.07 0.00 1.79 0.70 -1.60 116.57 118.42 1bu9 h LYS 112 Ca 0.04 -0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.23 1bu9 h LYS 112 Cb 1.06 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1bu9 h LYS 112 CO 0.11 0.13 -1.36 0.93 -1.08 0.00 0.00 179.45 178.17 1bu9 h GLU 113 N 0.20 0.14 0.00 3.15 4.39 -1.31 -3.48 114.58 117.67 1bu9 h GLU 113 Ca 0.28 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1bu9 h GLU 113 Cb 0.41 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1bu9 h GLU 113 CO -0.40 1.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1bu9 n GLY 114 N 1.54 1.99 3.15 -3.84 0.00 0.65 -4.97 105.19 103.71 1bu9 n GLY 114 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 0.70 0.00 1.61 8.25 0.86 -4.73 115.22 121.12 1bu9 n HIS 115 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 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 7.03 0.00 -0.52 2.41 0.00 -1.26 0.49 117.00 125.15 1bu9 n LEU 116 Ca 0.37 0.61 0.42 0.00 0.00 0.00 0.00 56.01 57.42 1bu9 n LEU 116 Cb 0.28 -0.11 0.69 0.00 0.00 0.00 0.00 43.42 44.28 1bu9 n LEU 116 CO 0.93 -0.11 1.25 -1.14 0.00 0.00 0.00 177.39 178.32 1bu9 n ARG 117 N -1.21 -0.03 0.04 1.96 0.00 -1.26 0.14 116.66 116.31 1bu9 n ARG 117 Ca 0.00 1.17 -0.02 0.00 -0.00 0.00 0.00 57.85 59.00 1bu9 n ARG 117 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 32.46 30.05 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1bu9 h VAL 118 N 0.00 0.00 -0.80 5.15 2.07 -1.50 -2.54 116.25 118.63 1bu9 h VAL 118 Ca 0.87 -0.07 0.20 0.00 0.82 0.00 0.00 66.70 68.51 1bu9 h VAL 118 Cb 3.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 1bu9 h VAL 118 CO -0.33 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.39 1bu9 h VAL 119 N -0.19 0.69 -0.50 2.57 2.07 0.22 1.23 116.25 122.33 1bu9 h VAL 119 Ca -0.01 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1bu9 h VAL 119 Cb 0.09 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1bu9 h VAL 119 CO 0.02 0.04 0.36 -0.08 0.02 0.00 0.00 177.57 177.93 1bu9 h GLU 120 N 0.24 0.03 0.38 1.57 4.81 0.13 -2.18 114.58 119.57 1bu9 h GLU 120 Ca 0.40 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1bu9 h GLU 120 Cb 1.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1bu9 h GLU 120 CO -0.09 0.02 -0.18 0.35 -0.73 0.00 0.00 179.01 178.37 1bu9 h PHE 121 N 0.03 -0.48 -1.26 0.92 3.04 0.20 -2.71 116.94 116.69 1bu9 h PHE 121 Ca 0.24 -0.01 0.36 0.00 3.98 0.00 0.00 57.97 62.54 1bu9 h PHE 121 Cb 0.91 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.53 1bu9 h PHE 121 CO -0.00 -0.21 1.24 -0.07 -2.02 0.00 0.00 178.31 177.25 1bu9 h LEU 122 N -1.07 0.00 0.00 0.59 3.38 -1.31 1.94 115.31 118.83 1bu9 h LEU 122 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1bu9 h LEU 122 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1bu9 h LEU 122 CO 0.09 0.00 -1.25 0.55 0.09 0.00 0.00 178.44 177.92 1bu9 n VAL 123 N -3.45 0.86 0.99 1.22 3.14 -1.11 -3.10 118.33 116.88 1bu9 n VAL 123 Ca 0.28 -0.62 0.12 0.00 -2.96 0.00 0.00 64.34 61.16 1bu9 n VAL 123 Cb 1.62 -0.51 0.07 0.00 -1.06 0.00 0.00 33.84 33.97 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 -2.75 2.01 0.00 1.45 3.00 0.65 -4.60 118.16 117.91 1bu9 n LYS 124 Ca -0.05 -1.66 0.00 0.00 -0.00 0.00 0.00 58.31 56.60 1bu9 n LYS 124 Cb 0.69 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.26 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 0.96 0.00 -2.52 5.64 8.25 -0.66 -5.07 115.22 121.83 1bu9 n HIS 125 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1bu9 n HIS 125 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.01 0.00 0.88 1.59 -2.24 -1.20 -4.98 114.28 108.32 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 -0.10 0.12 0.00 -2.10 0.00 0.00 70.33 68.25 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 2.66 -2.07 6.98 0.00 -1.26 -4.88 120.51 118.94 1bu9 n ALA 127 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1bu9 n ALA 127 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.22 -4.95 -3.04 0.00 7.64 -1.18 -4.45 113.62 107.87 1bu9 n SER 128 Ca 0.09 1.38 -0.14 0.00 1.01 0.00 0.00 58.87 61.21 1bu9 n SER 128 Cb 0.35 -3.45 -0.02 0.00 -1.01 0.00 0.00 64.21 60.08 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 1.87 3.30 -3.63 6.43 6.94 -1.26 -4.74 115.26 124.17 1bu9 n ASN 129 Ca 0.00 -2.19 -0.41 0.00 -0.02 0.00 0.00 54.58 51.96 1bu9 n ASN 129 Cb 0.00 -0.88 -0.02 0.00 -2.36 0.00 0.00 39.78 36.52 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 4.28 2.82 0.00 3.53 0.24 -1.26 -2.75 118.33 125.18 1bu9 n VAL 130 Ca 0.29 -2.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.25 1bu9 n VAL 130 Cb 0.12 -2.47 0.00 0.00 -1.47 0.00 0.00 33.84 30.02 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 4.21 0.01 3.58 7.63 0.00 -1.14 -4.77 105.19 114.72 1bu9 n GLY 131 Ca 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 1bu9 n GLY 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bu9 s HIS 132 N -0.99 1.22 -0.02 1.61 5.04 -1.11 -4.87 115.29 116.17 1bu9 s HIS 132 Ca 0.00 2.28 -0.30 0.00 -1.54 0.00 0.00 55.06 55.50 1bu9 s HIS 132 Cb 0.00 -3.34 -0.04 0.00 0.04 0.00 0.00 32.58 29.25 1bu9 s HIS 132 CO 0.00 -0.73 1.17 1.03 -2.34 0.00 0.00 174.74 173.88 1bu9 s ARG 133 N 8.47 4.40 0.00 2.88 0.52 -1.26 -3.16 118.95 130.79 1bu9 s ARG 133 Ca 0.82 1.66 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1bu9 s ARG 133 Cb -0.05 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1bu9 s ARG 133 CO 0.18 -0.35 0.00 0.27 0.02 0.00 0.00 175.30 175.41 1bu9 n ASN 134 N 4.72 0.00 0.09 0.23 6.94 -1.19 -4.46 115.26 121.60 1bu9 n ASN 134 Ca 0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.53 1bu9 n ASN 134 Cb 0.47 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.81 1bu9 n ASN 134 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1bu9 h HIS 135 N -0.57 -0.15 0.00 -2.53 3.86 -1.77 -2.20 115.15 111.79 1bu9 h HIS 135 Ca 0.00 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1bu9 h HIS 135 Cb 0.00 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1bu9 h HIS 135 CO 0.00 -0.03 -0.52 -0.22 0.86 0.00 0.00 177.93 178.02 1bu9 h LYS 136 N -0.24 0.00 0.00 2.45 3.64 -1.91 -3.46 116.57 117.05 1bu9 h LYS 136 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1bu9 h LYS 136 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bu9 h LYS 136 CO 0.03 0.52 0.00 0.41 -2.27 0.00 0.00 179.45 178.14 1bu9 n GLY 137 N 0.50 0.91 3.57 5.01 0.00 -0.83 -5.00 105.19 109.34 1bu9 n GLY 137 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.74 4.50 1.07 1.61 1.01 -1.26 -3.67 116.67 119.18 1bu9 s ASP 138 Ca 0.00 -0.78 -0.13 0.00 0.71 0.00 0.00 52.55 52.35 1bu9 s ASP 138 Cb 0.00 -2.57 0.20 0.00 1.01 0.00 0.00 42.92 41.56 1bu9 s ASP 138 CO 0.00 -3.47 0.45 0.35 0.21 0.00 0.00 175.17 172.71 1bu9 n THR 139 N 8.30 0.00 0.08 -1.27 -2.24 -1.26 -3.15 114.28 114.74 1bu9 n THR 139 Ca 0.43 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.22 1bu9 n THR 139 Cb 0.46 -0.51 0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 -4.25 1.37 -0.10 6.98 0.00 -1.19 -1.99 120.51 121.32 1bu9 n ALA 140 Ca -0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1bu9 n ALA 140 Cb 0.31 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.45 0.00 -0.01 0.00 9.92 -0.84 -0.81 116.55 121.36 1bu9 n ASP 142 Ca -0.44 0.44 -0.01 0.00 -0.53 0.00 0.00 54.79 54.26 1bu9 n ASP 142 Cb 0.98 -0.47 -0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 -1.47 0.27 0.20 0.64 4.77 -0.95 -3.15 117.00 117.30 1bu9 n LEU 143 Ca 0.04 0.28 0.18 0.00 -0.03 0.00 0.00 56.01 56.48 1bu9 n LEU 143 Cb 0.16 -0.55 0.82 0.00 -2.33 0.00 0.00 43.42 41.52 1bu9 n LEU 143 CO 0.13 -0.49 1.16 0.00 -1.33 0.00 0.00 177.39 176.86 1bu9 h ALA 144 N -1.85 1.78 0.63 -1.18 0.00 -1.58 -0.55 119.26 116.50 1bu9 h ALA 144 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bu9 h ALA 144 Cb 0.08 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bu9 h ALA 144 CO 0.00 -0.41 -0.30 -0.09 0.00 0.00 0.00 179.25 178.45 1bu9 h ARG 145 N 0.00 -0.81 -0.16 0.00 2.43 -1.09 0.94 114.38 115.69 1bu9 h ARG 145 Ca 0.10 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1bu9 h ARG 145 Cb 0.71 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1bu9 h ARG 145 CO -0.00 -0.54 0.11 -0.07 -1.51 0.00 0.00 179.97 177.96 1bu9 h LEU 146 N -1.10 0.13 0.00 3.80 4.07 -1.30 0.17 115.31 121.07 1bu9 h LEU 146 Ca -0.09 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1bu9 h LEU 146 Cb 0.65 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1bu9 h LEU 146 CO 0.14 0.09 0.00 -1.22 -1.08 0.00 0.00 178.44 176.37 1bu9 n TYR 147 N -4.51 0.00 0.00 1.13 4.01 -0.29 -4.82 117.16 112.67 1bu9 n TYR 147 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bu9 n TYR 147 Cb 0.13 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.18 2.97 3.56 2.72 0.00 0.59 -4.96 105.19 110.25 1bu9 n GLY 148 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 1.73 -0.12 1.61 3.00 0.29 -4.73 118.95 120.51 1bu9 s ARG 149 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 55.73 56.34 1bu9 s ARG 149 Cb 0.00 -4.72 -0.26 0.00 0.00 0.00 0.00 34.95 29.97 1bu9 s ARG 149 CO 0.00 -4.13 0.48 -2.95 0.00 0.00 0.00 175.30 168.69 1bu9 h ASN 150 N 14.76 0.32 -0.59 0.23 -1.07 -1.89 -2.62 115.58 124.72 1bu9 h ASN 150 Ca -0.07 -0.82 0.17 0.00 0.07 0.00 0.00 56.30 55.65 1bu9 h ASN 150 Cb 1.08 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 37.20 1bu9 h ASN 150 CO 1.05 1.63 0.65 -0.33 0.07 0.00 0.00 177.43 180.50 1bu9 h GLU 151 N -0.35 0.00 0.06 4.14 5.08 -1.95 2.75 114.58 124.31 1bu9 h GLU 151 Ca -0.33 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.76 1bu9 h GLU 151 Cb 1.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1bu9 h GLU 151 CO 0.02 0.00 -1.43 0.28 -1.00 0.00 0.00 179.01 176.88 1bu9 h VAL 152 N 0.00 1.23 0.28 3.13 2.07 -1.87 -2.17 116.25 118.92 1bu9 h VAL 152 Ca 0.28 -2.94 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 1bu9 h VAL 152 Cb 1.57 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1bu9 h VAL 152 CO -0.00 0.79 -0.13 0.58 0.02 0.00 0.00 177.57 178.82 1bu9 h VAL 153 N 0.04 0.19 -0.93 2.57 2.07 0.43 -3.13 116.25 117.49 1bu9 h VAL 153 Ca -0.19 -0.80 0.18 0.00 0.82 0.00 0.00 66.70 66.71 1bu9 h VAL 153 Cb 1.95 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 1bu9 h VAL 153 CO 0.14 0.05 0.60 -1.28 0.02 0.00 0.00 177.57 177.10 1bu9 h SER 154 N -1.06 0.59 -0.42 0.57 0.87 0.25 1.14 113.55 115.49 1bu9 h SER 154 Ca -0.04 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1bu9 h SER 154 Cb 0.37 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.19 1bu9 h SER 154 CO 0.06 0.25 -0.48 0.25 -0.53 0.00 0.00 176.83 176.38 1bu9 h LEU 155 N 0.59 -1.60 0.03 2.23 7.12 -1.36 1.59 115.31 123.91 1bu9 h LEU 155 Ca 0.50 0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.73 1bu9 h LEU 155 Cb 0.97 0.68 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1bu9 h LEU 155 CO -0.24 -0.38 -0.01 0.24 -0.13 0.00 0.00 178.44 177.91 1bu9 h MET 156 N -0.35 -0.03 -0.88 1.25 2.86 -0.99 -1.31 114.93 115.49 1bu9 h MET 156 Ca 0.12 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.99 1bu9 h MET 156 Cb 0.59 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 32.12 1bu9 h MET 156 CO -0.59 0.46 0.28 1.96 1.06 0.00 0.00 176.91 180.08 1bu9 h GLN 157 N -0.98 0.25 -0.10 1.72 4.20 0.14 0.41 115.11 120.75 1bu9 h GLN 157 Ca -0.00 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.48 1bu9 h GLN 157 Cb 0.51 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1bu9 h GLN 157 CO 0.01 0.17 -0.79 0.00 -0.67 0.00 0.00 178.83 177.54 1bu9 h ALA 158 N 1.75 0.41 -0.29 3.87 0.00 0.22 -3.15 119.26 122.08 1bu9 h ALA 158 Ca 0.55 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1bu9 h ALA 158 Cb 1.09 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1bu9 h ALA 158 CO -0.61 0.73 0.25 0.09 0.00 0.00 0.00 179.25 179.70 1bu9 n ASN 159 N -3.88 5.89 -3.32 0.00 3.02 0.13 -4.86 115.26 112.25 1bu9 n ASN 159 Ca -0.06 -2.79 -0.30 0.00 -0.03 0.00 0.00 54.58 51.40 1bu9 n ASN 159 Cb 0.75 -1.06 0.03 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.76 -0.27 0.00 7.41 0.00 -0.75 -4.85 105.19 107.49 1bu9 n GLY 160 Ca 0.18 1.18 0.00 0.00 0.00 0.00 0.00 46.02 47.38 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 -0.19 0.00 -1.48 4.61 0.00 -0.60 -4.63 120.51 118.22 1bu9 n ALA 161 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1bu9 n ALA 161 Cb 0.62 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.73 1.68 0.17 0.00 0.00 -1.13 -2.86 107.32 104.45 1bu9 s GLY 162 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 44.72 43.29 1bu9 s GLY 162 CO 0.00 -0.26 1.52 -0.32 0.00 0.00 0.00 173.10 174.04 1bu9 s GLY 163 N -4.40 1.76 0.00 0.20 0.00 -1.26 -4.75 107.32 98.87 1bu9 s GLY 163 Ca 0.73 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.78 1bu9 s GLY 163 CO 0.55 2.53 0.00 0.00 0.00 0.00 0.00 173.10 176.17 1bu9 n ALA 164 N 3.68 1.66 -2.45 3.20 0.00 -1.26 -4.99 120.51 120.35 1bu9 n ALA 164 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1bu9 n ALA 164 Cb 0.39 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.33 2.83 -0.09 0.00 2.01 -1.26 -5.14 115.64 112.67 1bu9 s THR 165 Ca 0.00 -1.62 -0.32 0.00 0.31 0.00 0.00 61.69 60.06 1bu9 s THR 165 Cb 0.00 -3.00 0.12 0.00 0.01 0.00 0.00 72.50 69.63 1bu9 s THR 165 CO 0.00 -0.11 1.05 0.54 -0.69 0.00 0.00 174.62 175.40 1bu9 s ASN 166 N -3.91 -0.25 -1.07 3.53 2.20 -1.26 -5.01 114.94 109.17 1bu9 s ASN 166 Ca 0.40 -0.01 -0.20 0.00 -0.94 0.00 0.00 52.86 52.11 1bu9 s ASN 166 Cb -0.01 0.27 0.02 0.00 -2.00 0.00 0.00 41.25 39.52 1bu9 s ASN 166 CO 0.24 -0.44 0.70 0.18 -2.94 0.00 0.00 177.10 174.84 1bu9 n LEU 167 N -0.18 -1.79 0.00 3.54 7.99 -1.26 -5.34 117.00 119.96 1bu9 n LEU 167 Ca -0.04 -1.06 0.00 0.00 -0.01 0.00 0.00 56.01 54.89 1bu9 n LEU 167 Cb 0.60 -1.95 0.00 0.00 -0.11 0.00 0.00 43.42 41.96 1bu9 n LEU 167 CO 0.10 0.50 0.00 0.00 -1.51 0.00 0.00 177.39 176.47