#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 4.50 -2.78 -5.12 0.00 -1.26 -4.84 120.51 111.02 1bu9 n ALA 2 Ca 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 53.44 49.57 1bu9 n ALA 2 Cb 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 19.45 18.95 1bu9 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bu9 n GLU 3 N -0.51 0.97 -1.24 0.00 2.13 -1.26 -4.99 120.64 115.73 1bu9 n GLU 3 Ca 0.32 -2.03 -0.20 0.00 0.66 0.00 0.00 57.16 55.92 1bu9 n GLU 3 Cb 0.81 -1.17 -0.08 0.00 0.27 0.00 0.00 31.44 31.27 1bu9 n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bu9 n PRO 4 N 0.62 2.16 -3.64 5.31 -0.04 -1.26 -4.12 135.00 134.02 1bu9 n PRO 4 Ca 0.08 -1.76 -0.03 0.00 -0.04 0.00 0.00 63.50 61.75 1bu9 n PRO 4 Cb 0.68 -2.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 1bu9 n PRO 4 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1bu9 s TRP 5 N -0.84 -0.07 0.00 0.54 -0.11 -1.26 -4.20 118.94 112.99 1bu9 s TRP 5 Ca 0.56 0.16 0.00 0.00 1.22 0.00 0.00 56.10 58.04 1bu9 s TRP 5 Cb 0.33 0.48 0.00 0.00 -1.50 0.00 0.00 33.47 32.79 1bu9 s TRP 5 CO -0.12 -0.05 0.00 0.41 -4.62 0.00 0.00 176.95 172.57 1bu9 n GLY 6 N 1.17 1.75 0.20 5.86 0.00 -1.26 -4.33 105.19 108.57 1bu9 n GLY 6 Ca -0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1bu9 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bu9 n ASN 7 N 2.18 2.55 -0.09 1.61 6.94 -1.26 -4.12 115.26 123.07 1bu9 n ASN 7 Ca 0.00 -0.01 -0.22 0.00 -0.02 0.00 0.00 54.58 54.33 1bu9 n ASN 7 Cb 0.00 -0.22 -0.12 0.00 -2.36 0.00 0.00 39.78 37.08 1bu9 n ASN 7 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1bu9 n GLU 8 N -3.01 0.59 0.05 -3.83 4.07 -1.26 -3.70 120.64 113.55 1bu9 n GLU 8 Ca -0.21 0.54 -0.09 0.00 -0.06 0.00 0.00 57.16 57.34 1bu9 n GLU 8 Cb 0.70 -1.74 -0.06 0.00 -0.06 0.00 0.00 31.44 30.28 1bu9 n GLU 8 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1bu9 h LEU 9 N -0.88 -0.18 -1.97 4.31 5.85 -1.83 -2.99 115.31 117.61 1bu9 h LEU 9 Ca -0.36 -0.30 0.44 0.00 0.84 0.00 0.00 57.88 58.50 1bu9 h LEU 9 Cb 1.39 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 1bu9 h LEU 9 CO -0.18 0.38 1.11 0.00 -0.34 0.00 0.00 178.44 179.42 1bu9 h ALA 10 N -0.51 3.44 -1.01 1.25 0.00 -1.80 1.45 119.26 122.08 1bu9 h ALA 10 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bu9 h ALA 10 Cb 0.48 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bu9 h ALA 10 CO 0.04 -1.90 0.00 0.43 0.00 0.00 0.00 179.25 177.82 1bu9 n SER 11 N -4.04 0.00 -0.21 0.00 7.64 -1.14 0.80 113.62 116.68 1bu9 n SER 11 Ca 0.34 0.79 -0.06 0.00 1.01 0.00 0.00 58.87 60.94 1bu9 n SER 11 Cb 1.59 -0.33 0.04 0.00 -1.01 0.00 0.00 64.21 64.50 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 -2.00 0.77 0.15 -0.43 0.00 -1.01 0.26 119.26 117.00 1bu9 h ALA 12 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bu9 h ALA 12 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1bu9 h ALA 12 CO 0.00 0.22 -0.34 0.00 0.00 0.00 0.00 179.25 179.12 1bu9 h ALA 13 N 1.21 -0.61 -0.18 0.00 0.00 0.19 0.50 119.26 120.36 1bu9 h ALA 13 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bu9 h ALA 13 Cb -0.07 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bu9 h ALA 13 CO -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 178.30 1bu9 n ALA 14 N -2.72 2.75 0.35 0.00 0.00 0.24 0.27 120.51 121.41 1bu9 n ALA 14 Ca -0.07 -0.48 0.04 0.00 0.00 0.00 0.00 53.44 52.93 1bu9 n ALA 14 Cb 0.34 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.15 1.35 -0.51 0.00 3.00 0.89 -4.55 116.66 117.01 1bu9 n ARG 15 Ca 0.08 -0.73 0.00 0.00 -0.00 0.00 0.00 57.85 57.19 1bu9 n ARG 15 Cb 0.40 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.79 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 0.67 0.75 3.56 5.14 0.00 -0.61 -4.97 105.19 109.73 1bu9 n GLY 16 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.91 4.65 0.02 1.61 1.01 0.15 -4.79 116.67 116.41 1bu9 s ASP 17 Ca 0.00 -0.28 -0.26 0.00 0.71 0.00 0.00 52.55 52.72 1bu9 s ASP 17 Cb 0.00 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 41.22 1bu9 s ASP 17 CO 0.00 -3.15 1.26 0.25 0.21 0.00 0.00 175.17 173.74 1bu9 h LEU 18 N 19.60 -0.48 -0.07 1.23 5.85 -1.93 -3.01 115.31 136.50 1bu9 h LEU 18 Ca 0.03 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1bu9 h LEU 18 Cb 1.02 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1bu9 h LEU 18 CO 1.13 -0.14 0.04 -0.33 -0.34 0.00 0.00 178.44 178.80 1bu9 h GLU 19 N -0.86 0.09 -0.89 1.25 4.39 -1.98 -2.53 114.58 114.05 1bu9 h GLU 19 Ca -0.06 -0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.88 1bu9 h GLU 19 Cb 0.56 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.04 1bu9 h GLU 19 CO 0.10 0.08 0.24 0.37 -1.16 0.00 0.00 179.01 178.64 1bu9 h GLN 20 N 0.08 0.19 -0.44 2.33 4.15 -1.95 1.34 115.11 120.81 1bu9 h GLN 20 Ca 0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1bu9 h GLN 20 Cb 0.01 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1bu9 h GLN 20 CO -0.01 0.13 0.20 -0.07 -1.93 0.00 0.00 178.83 177.16 1bu9 h LEU 21 N 0.20 0.55 0.32 -2.39 4.07 -1.31 -2.71 115.31 114.04 1bu9 h LEU 21 Ca 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.46 1bu9 h LEU 21 Cb 1.16 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1bu9 h LEU 21 CO -0.67 0.48 -0.16 0.74 -1.08 0.00 0.00 178.44 177.76 1bu9 h THR 22 N 0.62 0.00 -0.35 0.22 2.02 0.19 -2.52 112.91 113.09 1bu9 h THR 22 Ca 0.16 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1bu9 h THR 22 Cb 0.08 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.45 1bu9 h THR 22 CO -0.02 0.00 -0.24 0.28 0.37 0.00 0.00 175.52 175.91 1bu9 h SER 23 N -0.61 -0.86 -1.19 4.18 0.02 -1.24 0.78 113.55 114.63 1bu9 h SER 23 Ca -0.04 0.13 0.34 0.00 -0.84 0.00 0.00 61.79 61.37 1bu9 h SER 23 Cb 0.33 0.37 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 1bu9 h SER 23 CO 0.07 -0.11 0.80 -0.07 -1.14 0.00 0.00 176.83 176.38 1bu9 h LEU 24 N -0.04 0.25 -0.54 5.07 4.07 -1.60 0.88 115.31 123.41 1bu9 h LEU 24 Ca 0.06 0.07 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 1bu9 h LEU 24 Cb 0.19 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1bu9 h LEU 24 CO -0.35 -0.01 -0.30 0.25 -1.08 0.00 0.00 178.44 176.95 1bu9 h LEU 25 N 0.19 0.90 0.00 1.67 5.85 0.93 0.73 115.31 125.58 1bu9 h LEU 25 Ca 0.66 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1bu9 h LEU 25 Cb 2.08 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1bu9 h LEU 25 CO -0.23 1.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1bu9 n GLN 26 N -4.08 0.36 -0.02 1.25 1.13 0.29 -3.90 117.38 112.41 1bu9 n GLN 26 Ca -0.01 0.07 -0.05 0.00 -1.94 0.00 0.00 57.00 55.07 1bu9 n GLN 26 Cb 0.49 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.32 1bu9 n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1bu9 n ASN 27 N -1.25 1.49 0.00 1.08 3.02 -0.47 -5.08 115.26 114.06 1bu9 n ASN 27 Ca 0.11 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1bu9 n ASN 27 Cb 0.16 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bu9 n ASN 28 N -3.95 0.00 -3.01 6.41 4.13 0.24 -5.09 115.26 114.00 1bu9 n ASN 28 Ca -0.08 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.11 1bu9 n ASN 28 Cb 0.27 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.53 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1bu9 s VAL 29 N -1.54 0.00 -0.54 2.41 -7.23 -1.26 -4.55 120.40 107.69 1bu9 s VAL 29 Ca 0.00 -0.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 1bu9 s VAL 29 Cb 0.00 -2.90 0.21 0.00 0.56 0.00 0.00 36.38 34.25 1bu9 s VAL 29 CO 0.00 0.00 0.52 0.59 -0.31 0.00 0.00 175.10 175.90 1bu9 n ASN 30 N -1.38 1.59 -0.24 4.85 3.02 -1.26 -4.95 115.26 116.89 1bu9 n ASN 30 Ca -0.07 -2.92 0.30 0.00 -0.03 0.00 0.00 54.58 51.86 1bu9 n ASN 30 Cb 0.60 -0.65 0.51 0.00 -0.61 0.00 0.00 39.78 39.62 1bu9 n ASN 30 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1bu9 h VAL 31 N 3.64 0.04 -0.35 2.41 -1.51 -1.93 2.44 116.25 120.99 1bu9 h VAL 31 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1bu9 h VAL 31 Cb 0.80 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1bu9 h VAL 31 CO 0.59 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.52 1bu9 n ASN 32 N -3.37 2.95 -3.08 4.19 4.13 -1.26 -4.67 115.26 114.16 1bu9 n ASN 32 Ca 0.24 -2.02 -0.03 0.00 1.68 0.00 0.00 54.58 54.45 1bu9 n ASN 32 Cb 1.50 -0.24 0.03 0.00 -1.54 0.00 0.00 39.78 39.53 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 0.50 -0.54 -3.64 5.41 0.00 0.82 -4.93 120.51 118.13 1bu9 n ALA 33 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1bu9 n ALA 33 Cb 0.44 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.11 0.43 0.55 0.00 -0.21 -1.26 -4.21 119.66 112.85 1bu9 s GLN 34 Ca 0.07 0.67 0.07 0.00 0.02 0.00 0.00 55.36 56.19 1bu9 s GLN 34 Cb -0.01 0.12 0.05 0.00 1.00 0.00 0.00 33.01 34.17 1bu9 s GLN 34 CO 0.06 -0.08 0.54 1.21 -2.12 0.00 0.00 175.29 174.89 1bu9 s ASN 35 N 1.06 4.80 0.63 5.90 3.84 -1.19 -4.88 114.94 125.11 1bu9 s ASN 35 Ca -0.06 -1.10 0.26 0.00 0.21 0.00 0.00 52.86 52.18 1bu9 s ASN 35 Cb -0.04 0.35 1.36 0.00 -0.55 0.00 0.00 41.25 42.37 1bu9 s ASN 35 CO -0.13 -1.17 1.78 1.23 -2.79 0.00 0.00 177.10 176.02 1bu9 h GLY 36 N 0.56 0.00 2.00 1.21 0.00 -1.92 2.08 103.07 107.00 1bu9 h GLY 36 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1bu9 h GLY 36 CO 0.52 0.00 -0.16 -2.75 0.00 0.00 0.00 176.54 174.15 1bu9 h PHE 37 N 0.00 0.00 0.00 5.60 3.04 -1.92 -3.46 116.94 120.20 1bu9 h PHE 37 Ca 0.13 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1bu9 h PHE 37 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1bu9 h PHE 37 CO 0.00 0.16 0.00 0.41 -2.02 0.00 0.00 178.31 176.86 1bu9 n GLY 38 N -0.08 2.63 3.93 2.40 0.00 0.70 -4.51 105.19 110.26 1bu9 n GLY 38 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.54 3.50 0.37 1.61 1.04 -1.26 -4.43 118.95 119.23 1bu9 s ARG 39 Ca 0.00 -0.38 -0.04 0.00 -1.04 0.00 0.00 55.73 54.26 1bu9 s ARG 39 Cb 0.00 -2.91 -0.04 0.00 -2.04 0.00 0.00 34.95 29.96 1bu9 s ARG 39 CO 0.00 0.48 0.64 0.95 -0.04 0.00 0.00 175.30 177.33 1bu9 s THR 40 N -1.74 4.98 0.56 4.99 -4.23 -1.26 -3.14 115.64 115.81 1bu9 s THR 40 Ca 0.37 0.03 0.30 0.00 -1.18 0.00 0.00 61.69 61.21 1bu9 s THR 40 Cb -0.12 -3.80 0.43 0.00 1.34 0.00 0.00 72.50 70.35 1bu9 s THR 40 CO 0.28 -0.55 1.88 0.00 -0.54 0.00 0.00 174.62 175.69 1bu9 h ALA 41 N 0.99 2.54 0.00 3.99 0.00 -1.87 2.47 119.26 127.38 1bu9 h ALA 41 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bu9 h ALA 41 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bu9 h ALA 41 CO 0.63 -0.93 0.00 1.25 0.00 0.00 0.00 179.25 180.20 1bu9 h LEU 42 N 0.00 0.00 0.03 0.00 5.85 -1.91 1.81 115.31 121.08 1bu9 h LEU 42 Ca 0.33 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.73 1bu9 h LEU 42 Cb 1.47 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1bu9 h LEU 42 CO -0.00 0.00 -1.86 0.00 -0.34 0.00 0.00 178.44 176.24 1bu9 n GLN 43 N -2.79 0.67 0.03 1.25 6.02 0.81 -4.30 117.38 119.07 1bu9 n GLN 43 Ca 0.02 0.26 -0.22 0.00 -0.01 0.00 0.00 57.00 57.04 1bu9 n GLN 43 Cb 0.31 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 29.69 1bu9 n GLN 43 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1bu9 h VAL 44 N 0.02 0.80 0.00 5.09 -1.51 -0.59 -3.45 116.25 116.61 1bu9 h VAL 44 Ca -0.35 -2.41 0.00 0.00 -1.23 0.00 0.00 66.70 62.71 1bu9 h VAL 44 Cb 2.04 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 33.83 1bu9 h VAL 44 CO 0.07 0.85 0.00 1.15 -1.23 0.00 0.00 177.57 178.41 1bu9 n MET 45 N -3.61 0.00 -1.52 5.19 0.00 0.61 -4.18 117.12 113.62 1bu9 n MET 45 Ca -0.28 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.15 1bu9 n MET 45 Cb 1.03 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 34.10 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 0.26 0.11 3.17 3.00 0.78 -4.64 118.16 120.84 1bu9 n LYS 46 Ca 0.00 -0.19 0.07 0.00 -0.00 0.00 0.00 58.31 58.19 1bu9 n LYS 46 Cb 0.00 -2.05 0.35 0.00 0.00 0.00 0.00 35.03 33.33 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 11.07 0.33 -0.18 3.14 4.77 -1.26 -1.57 117.00 133.29 1bu9 n LEU 47 Ca 0.59 0.62 -0.09 0.00 -0.03 0.00 0.00 56.01 57.10 1bu9 n LEU 47 Cb 0.23 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1bu9 n LEU 47 CO 0.89 -0.73 0.57 1.23 -1.33 0.00 0.00 177.39 178.01 1bu9 h GLY 48 N 0.00 -0.51 -5.31 -0.72 0.00 -1.95 -3.28 103.07 91.30 1bu9 h GLY 48 Ca 0.00 0.56 -0.60 0.00 0.00 0.00 0.00 47.33 47.30 1bu9 h GLY 48 CO 0.00 -0.16 -0.21 0.54 0.00 0.00 0.00 176.54 176.70 1bu9 s ASN 49 N -5.13 6.70 0.12 0.19 2.20 -0.61 -4.93 114.94 113.49 1bu9 s ASN 49 Ca -0.14 0.84 0.23 0.00 -0.94 0.00 0.00 52.86 52.84 1bu9 s ASN 49 Cb 0.13 -2.24 0.12 0.00 -2.00 0.00 0.00 41.25 37.25 1bu9 s ASN 49 CO 0.66 0.20 1.11 -0.81 -2.94 0.00 0.00 177.10 175.32 1bu9 n PRO 50 N 2.62 0.41 0.23 3.55 -0.04 -1.24 -3.44 135.00 137.09 1bu9 n PRO 50 Ca -0.12 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1bu9 n PRO 50 Cb 0.52 -1.70 0.48 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.98 114.58 113.77 1bu9 h GLU 51 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1bu9 h GLU 51 Cb 0.84 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 1bu9 h GLU 51 CO 0.00 0.18 -0.41 0.82 0.07 0.00 0.00 179.01 179.67 1bu9 h ILE 52 N 0.00 0.00 -0.41 -1.06 1.08 -1.85 1.62 117.51 116.90 1bu9 h ILE 52 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1bu9 h ILE 52 Cb 0.72 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1bu9 h ILE 52 CO 0.02 0.00 0.01 0.00 -0.69 0.00 0.00 178.15 177.49 1bu9 h ALA 53 N -0.10 1.26 0.12 1.87 0.00 -1.79 -2.71 119.26 117.91 1bu9 h ALA 53 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bu9 h ALA 53 Cb 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1bu9 h ALA 53 CO -0.58 0.50 -0.31 -0.09 0.00 0.00 0.00 179.25 178.77 1bu9 h ARG 54 N 0.61 -0.51 -0.91 0.00 2.43 0.57 1.68 114.38 118.24 1bu9 h ARG 54 Ca 0.13 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.51 1bu9 h ARG 54 Cb 0.37 0.12 -0.17 0.00 -0.42 0.00 0.00 29.97 29.87 1bu9 h ARG 54 CO 0.01 -0.34 -0.26 0.00 -1.51 0.00 0.00 179.97 177.87 1bu9 h ARG 55 N -0.53 -0.01 -0.01 0.20 2.47 0.23 1.31 114.38 118.04 1bu9 h ARG 55 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1bu9 h ARG 55 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1bu9 h ARG 55 CO -0.18 -0.01 -0.20 1.47 0.56 0.00 0.00 179.97 181.61 1bu9 n LEU 56 N -5.56 0.77 0.06 3.04 -0.00 -0.64 -3.76 117.00 110.91 1bu9 n LEU 56 Ca 0.13 -0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1bu9 n LEU 56 Cb 0.45 -0.16 -0.13 0.00 -0.00 0.00 0.00 43.42 43.57 1bu9 n LEU 56 CO -0.09 0.15 -0.17 -0.07 -0.00 0.00 0.00 177.39 177.21 1bu9 h LEU 57 N 0.89 0.23 -2.49 1.47 3.38 1.23 -2.67 115.31 117.36 1bu9 h LEU 57 Ca 0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1bu9 h LEU 57 Cb 0.45 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bu9 h LEU 57 CO 0.00 1.24 -0.02 -0.07 0.09 0.00 0.00 178.44 179.68 1bu9 h LEU 58 N 0.04 0.00 0.00 1.67 -0.00 -1.09 0.11 115.31 116.04 1bu9 h LEU 58 Ca -0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.68 1bu9 h LEU 58 Cb 1.94 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.59 1bu9 h LEU 58 CO 0.15 0.02 -1.00 -0.09 -0.00 0.00 0.00 178.44 177.52 1bu9 h ARG 59 N 0.00 0.00 0.00 1.13 1.12 -1.71 -3.48 114.38 111.45 1bu9 h ARG 59 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1bu9 h ARG 59 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1bu9 h ARG 59 CO 0.00 0.08 0.00 0.41 -3.11 0.00 0.00 179.97 177.35 1bu9 n GLY 60 N 1.22 0.22 3.34 2.80 0.00 0.39 -5.06 105.19 108.09 1bu9 n GLY 60 Ca -0.02 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.75 -0.36 4.61 0.00 -1.03 -4.76 121.76 123.97 1bu9 s ALA 61 Ca 0.00 -2.80 -0.30 0.00 0.00 0.00 0.00 51.96 48.86 1bu9 s ALA 61 Cb 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1bu9 s ALA 61 CO 0.00 -2.25 2.28 0.09 0.00 0.00 0.00 175.76 175.89 1bu9 n ASN 62 N 5.05 2.52 0.32 0.00 3.02 -1.26 -4.78 115.26 120.13 1bu9 n ASN 62 Ca 0.00 0.11 0.21 0.00 -0.03 0.00 0.00 54.58 54.87 1bu9 n ASN 62 Cb 0.44 -1.43 1.11 0.00 -0.61 0.00 0.00 39.78 39.28 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 15.05 0.00 -0.00 3.52 0.13 -1.89 -0.87 132.00 147.93 1bu9 h PRO 63 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1bu9 h PRO 63 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1bu9 h PRO 63 CO 1.05 0.00 -0.18 -3.47 -0.23 0.00 0.00 178.00 175.17 1bu9 n ASP 64 N -3.01 0.44 -4.35 1.44 -0.08 -1.26 -0.53 116.55 109.19 1bu9 n ASP 64 Ca -0.02 -0.34 -0.40 0.00 -1.51 0.00 0.00 54.79 52.52 1bu9 n ASP 64 Cb 0.10 -0.07 -0.14 0.00 2.34 0.00 0.00 41.12 43.34 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 -1.14 0.28 -4.75 -2.67 4.77 -0.33 -4.16 117.00 109.00 1bu9 n LEU 65 Ca 0.11 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 1bu9 n LEU 65 Cb 0.31 -0.89 0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1bu9 n LEU 65 CO 0.27 -0.70 0.69 -0.54 -1.33 0.00 0.00 177.39 175.78 1bu9 s LYS 66 N 8.69 2.00 0.00 3.23 -0.14 -1.26 -1.78 119.74 130.48 1bu9 s LYS 66 Ca 1.31 1.11 0.00 0.00 -1.36 0.00 0.00 55.97 57.03 1bu9 s LYS 66 Cb -1.22 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.06 1bu9 s LYS 66 CO 0.48 -1.80 0.00 -0.40 -0.76 0.00 0.00 175.35 172.86 1bu9 n ASP 67 N -3.62 0.00 -0.07 2.83 5.75 -0.81 -4.77 116.55 115.86 1bu9 n ASP 67 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.73 1bu9 n ASP 67 Cb 0.53 0.00 -0.06 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 0.53 -0.82 0.11 -0.00 -1.79 -2.55 114.38 109.87 1bu9 h ARG 68 Ca 0.00 -0.29 0.00 0.00 -0.50 0.00 0.00 59.98 59.19 1bu9 h ARG 68 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 29.97 29.98 1bu9 h ARG 68 CO 0.00 0.88 0.00 0.25 0.00 0.00 0.00 179.97 181.10 1bu9 n THR 69 N -4.40 0.61 -1.18 2.04 -2.24 -1.26 -4.78 114.28 103.07 1bu9 n THR 69 Ca -0.05 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1bu9 n THR 69 Cb 0.43 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.22 0.67 3.60 3.38 0.00 -0.96 0.87 105.19 112.97 1bu9 n GLY 70 Ca 0.06 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.69 2.00 0.75 1.61 0.40 -1.26 -3.63 117.98 116.16 1bu9 s PHE 71 Ca 0.00 0.62 -0.14 0.00 -0.60 0.00 0.00 56.93 56.81 1bu9 s PHE 71 Cb 0.00 -4.16 0.05 0.00 0.51 0.00 0.00 43.02 39.42 1bu9 s PHE 71 CO 0.00 -2.71 1.19 0.00 0.70 0.00 0.00 175.22 174.41 1bu9 s ALA 72 N 6.27 2.05 0.42 5.36 0.00 -1.22 -1.92 121.76 132.73 1bu9 s ALA 72 Ca 0.74 0.82 0.24 0.00 0.00 0.00 0.00 51.96 53.76 1bu9 s ALA 72 Cb -0.21 -3.46 1.25 0.00 0.00 0.00 0.00 23.12 20.71 1bu9 s ALA 72 CO 0.33 -1.97 1.72 0.28 0.00 0.00 0.00 175.76 176.12 1bu9 h VAL 73 N -0.51 0.36 -0.81 0.00 2.07 0.01 2.27 116.25 119.66 1bu9 h VAL 73 Ca -0.47 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.08 1bu9 h VAL 73 Cb 1.29 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1bu9 h VAL 73 CO 0.49 0.05 0.42 0.40 0.02 0.00 0.00 177.57 178.94 1bu9 h ILE 74 N 0.25 0.80 0.01 4.57 2.04 -1.54 -0.55 117.51 123.09 1bu9 h ILE 74 Ca 0.68 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 66.32 1bu9 h ILE 74 Cb 1.96 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1bu9 h ILE 74 CO -0.32 0.12 -0.30 0.45 0.00 0.00 0.00 178.15 178.10 1bu9 h HIS 75 N 0.65 -0.87 -1.51 1.37 3.86 0.35 0.41 115.15 119.42 1bu9 h HIS 75 Ca 0.42 0.03 0.50 0.00 -1.16 0.00 0.00 60.37 60.16 1bu9 h HIS 75 Cb 0.51 0.38 -0.13 0.00 1.06 0.00 0.00 27.41 29.23 1bu9 h HIS 75 CO -0.09 -0.32 1.00 -0.44 0.86 0.00 0.00 177.93 178.94 1bu9 h ASP 76 N -0.38 0.16 0.30 2.45 3.32 -1.04 2.40 116.42 123.62 1bu9 h ASP 76 Ca 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1bu9 h ASP 76 Cb 0.40 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1bu9 h ASP 76 CO -0.19 -0.21 -0.14 0.00 -1.72 0.00 0.00 179.24 176.98 1bu9 h ALA 77 N 1.48 -0.40 0.12 3.45 0.00 0.12 -3.35 119.26 120.69 1bu9 h ALA 77 Ca 0.90 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.46 1bu9 h ALA 77 Cb 3.05 0.15 0.01 0.00 0.00 0.00 0.00 17.79 21.01 1bu9 h ALA 77 CO -0.38 -0.42 -0.86 0.00 0.00 0.00 0.00 179.25 177.59 1bu9 h ALA 78 N -0.74 -0.02 -0.30 0.00 0.00 0.91 1.68 119.26 120.79 1bu9 h ALA 78 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 54.13 1bu9 h ALA 78 Cb 0.46 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1bu9 h ALA 78 CO 0.07 0.44 -0.18 -2.13 0.00 0.00 0.00 179.25 177.45 1bu9 n ARG 79 N -4.14 -0.13 -0.04 0.00 0.00 0.78 -1.50 116.66 111.63 1bu9 n ARG 79 Ca -0.16 0.75 -0.13 0.00 -0.00 0.00 0.00 57.85 58.31 1bu9 n ARG 79 Cb 0.80 -1.11 -0.11 0.00 0.00 0.00 0.00 32.46 32.03 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 -0.15 -0.01 0.00 5.13 0.00 -1.73 -3.40 119.26 119.10 1bu9 h ALA 80 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bu9 h ALA 80 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bu9 h ALA 80 CO -0.28 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1bu9 n GLY 81 N 0.99 -0.23 2.57 0.00 0.00 -0.56 -5.03 105.19 102.93 1bu9 n GLY 81 Ca -0.09 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1bu9 n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bu9 n PHE 82 N 0.00 2.70 0.47 1.61 3.72 0.57 -4.96 117.46 121.57 1bu9 n PHE 82 Ca 0.00 -4.08 -0.20 0.00 -0.05 0.00 0.00 57.45 53.12 1bu9 n PHE 82 Cb 0.00 -0.49 -0.10 0.00 -0.94 0.00 0.00 39.48 37.95 1bu9 n PHE 82 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1bu9 h LEU 83 N 4.71 -1.00 -1.66 4.37 5.85 -1.94 1.32 115.31 126.96 1bu9 h LEU 83 Ca 0.17 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.09 1bu9 h LEU 83 Cb 0.74 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1bu9 h LEU 83 CO 0.72 -0.72 0.68 0.44 -0.34 0.00 0.00 178.44 179.22 1bu9 h ASP 84 N -1.18 0.00 0.42 1.25 3.32 -1.94 2.89 116.42 121.18 1bu9 h ASP 84 Ca -0.12 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.62 1bu9 h ASP 84 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1bu9 h ASP 84 CO 0.20 0.00 -1.53 0.74 -1.72 0.00 0.00 179.24 176.93 1bu9 h THR 85 N 0.00 1.17 0.00 0.35 2.02 -1.38 -2.48 112.91 112.59 1bu9 h THR 85 Ca 0.26 -2.78 -0.02 0.00 0.77 0.00 0.00 66.41 64.64 1bu9 h THR 85 Cb 1.61 2.80 -0.00 0.00 -1.74 0.00 0.00 68.15 70.82 1bu9 h THR 85 CO -0.00 0.83 -0.12 0.25 0.37 0.00 0.00 175.52 176.85 1bu9 h LEU 86 N 0.08 0.00 -0.14 2.58 6.46 1.45 -1.52 115.31 124.22 1bu9 h LEU 86 Ca -0.25 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.36 1bu9 h LEU 86 Cb 2.04 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.97 1bu9 h LEU 86 CO 0.18 0.12 -0.50 1.56 -0.62 0.00 0.00 178.44 179.17 1bu9 h GLN 87 N 0.00 0.59 -0.10 1.25 4.20 0.19 -2.94 115.11 118.30 1bu9 h GLN 87 Ca -0.00 -0.44 0.03 0.00 0.06 0.00 0.00 58.65 58.29 1bu9 h GLN 87 Cb 0.34 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 1bu9 h GLN 87 CO 0.01 1.07 -0.54 1.15 -0.67 0.00 0.00 178.83 179.85 1bu9 h THR 88 N 0.23 0.01 0.11 -0.54 2.02 -0.81 0.99 112.91 114.92 1bu9 h THR 88 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1bu9 h THR 88 Cb 1.13 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1bu9 h THR 88 CO 0.11 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.66 1bu9 h LEU 89 N -0.61 -0.78 -0.50 2.58 3.38 -1.60 0.38 115.31 118.16 1bu9 h LEU 89 Ca 0.03 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1bu9 h LEU 89 Cb 0.69 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 1bu9 h LEU 89 CO -0.41 -0.30 -0.33 0.25 0.09 0.00 0.00 178.44 177.74 1bu9 h LEU 90 N -0.41 -1.12 -1.12 1.67 7.12 -1.30 1.57 115.31 121.72 1bu9 h LEU 90 Ca -0.01 0.21 0.30 0.00 0.13 0.00 0.00 57.88 58.51 1bu9 h LEU 90 Cb 0.40 0.54 -0.13 0.00 -0.53 0.00 0.00 40.66 40.94 1bu9 h LEU 90 CO -0.12 -0.31 0.63 -0.08 -0.13 0.00 0.00 178.44 178.43 1bu9 h GLU 91 N -0.20 0.37 -1.04 1.25 4.57 0.16 1.39 114.58 121.08 1bu9 h GLU 91 Ca 0.20 -0.02 -0.32 0.00 -1.18 0.00 0.00 59.36 58.05 1bu9 h GLU 91 Cb 0.54 -0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 28.87 1bu9 h GLU 91 CO -0.61 0.24 0.40 1.19 -1.18 0.00 0.00 179.01 179.05 1bu9 n PHE 92 N -4.89 1.83 -3.20 0.92 3.72 0.51 -4.84 117.46 111.51 1bu9 n PHE 92 Ca 0.30 -1.38 -0.16 0.00 -0.05 0.00 0.00 57.45 56.17 1bu9 n PHE 92 Cb 0.95 -0.70 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.43 -5.32 -3.00 -1.08 1.13 0.47 -4.82 117.38 104.34 1bu9 n GLN 93 Ca 0.36 0.57 -0.32 0.00 -1.94 0.00 0.00 57.00 55.67 1bu9 n GLN 93 Cb 1.15 -4.83 -0.06 0.00 0.11 0.00 0.00 30.24 26.61 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 -3.23 3.24 -0.66 -1.58 0.00 0.28 -4.87 121.76 114.95 1bu9 s ALA 94 Ca 0.33 0.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 1bu9 s ALA 94 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1bu9 s ALA 94 CO 0.50 0.22 1.23 -0.51 0.00 0.00 0.00 175.76 177.20 1bu9 s ASP 95 N -2.37 6.30 0.64 0.00 1.11 -1.26 -4.50 116.67 116.59 1bu9 s ASP 95 Ca 0.56 -0.20 0.36 0.00 0.18 0.00 0.00 52.55 53.45 1bu9 s ASP 95 Cb -0.10 -2.55 1.94 0.00 1.07 0.00 0.00 42.92 43.28 1bu9 s ASP 95 CO 0.18 -1.66 2.09 1.62 1.18 0.00 0.00 175.17 178.58 1bu9 h VAL 96 N 6.09 0.00 -0.57 -1.27 3.04 -1.94 0.96 116.25 122.57 1bu9 h VAL 96 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1bu9 h VAL 96 Cb 1.05 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1bu9 h VAL 96 CO 1.23 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.38 1bu9 n ASN 97 N -2.92 4.92 -4.64 3.17 5.03 -1.26 -4.59 115.26 114.97 1bu9 n ASN 97 Ca -0.02 -2.66 -0.43 0.00 0.87 0.00 0.00 54.58 52.34 1bu9 n ASN 97 Cb 0.23 -0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 38.37 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 -2.24 3.65 0.00 2.41 -1.16 0.33 -4.88 121.20 119.32 1bu9 s ILE 98 Ca 0.50 0.75 0.00 0.00 -0.51 0.00 0.00 60.65 61.40 1bu9 s ILE 98 Cb 0.35 -3.59 0.00 0.00 0.61 0.00 0.00 42.46 39.83 1bu9 s ILE 98 CO 0.20 -0.19 0.00 -0.62 -2.81 0.00 0.00 174.94 171.52 1bu9 n GLU 99 N 7.45 2.20 0.00 3.50 1.02 -1.26 -2.92 120.64 130.63 1bu9 n GLU 99 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1bu9 n GLU 99 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 -1.39 1.62 5.75 0.58 -3.44 116.55 119.67 1bu9 n ASP 100 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1bu9 n ASP 100 Cb 0.00 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.27 1bu9 n ASP 100 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bu9 n ASN 101 N 0.00 3.49 0.00 -1.12 4.05 0.25 -4.33 115.26 117.60 1bu9 n ASN 101 Ca 0.00 -2.62 0.00 0.00 0.45 0.00 0.00 54.58 52.41 1bu9 n ASN 101 Cb 0.00 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.38 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1bu9 n GLU 102 N 0.09 0.00 0.00 1.20 4.71 -1.26 -4.94 120.64 120.44 1bu9 n GLU 102 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 1bu9 n GLU 102 Cb 0.89 -0.08 0.00 0.00 -1.01 0.00 0.00 31.44 31.24 1bu9 n GLU 102 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bu9 n GLY 103 N -0.74 0.65 3.63 0.62 0.00 -1.26 -3.81 105.19 104.28 1bu9 n GLY 103 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1bu9 n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bu9 n ASN 104 N 0.00 1.47 -4.34 1.61 4.13 -1.26 -4.14 115.26 112.73 1bu9 n ASN 104 Ca 0.00 1.01 -0.24 0.00 1.68 0.00 0.00 54.58 57.03 1bu9 n ASN 104 Cb 0.00 -1.39 -0.02 0.00 -1.54 0.00 0.00 39.78 36.82 1bu9 n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bu9 n LEU 105 N 0.20 0.00 0.04 3.41 -0.00 -1.26 0.22 117.00 119.61 1bu9 n LEU 105 Ca 0.09 -2.52 0.04 0.00 -0.00 0.00 0.00 56.01 53.62 1bu9 n LEU 105 Cb 0.41 0.10 0.19 0.00 -0.00 0.00 0.00 43.42 44.11 1bu9 n LEU 105 CO 0.56 -0.48 0.61 -0.81 -0.00 0.00 0.00 177.39 177.28 1bu9 n PRO 106 N -1.39 0.04 -0.08 1.47 -0.04 -1.15 -1.84 135.00 132.02 1bu9 n PRO 106 Ca -0.08 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.75 1bu9 n PRO 106 Cb 0.53 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1bu9 n PRO 106 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1bu9 h LEU 107 N 0.00 0.00 -1.98 1.53 6.46 -1.88 -0.11 115.31 119.32 1bu9 h LEU 107 Ca 0.00 -0.61 0.19 0.00 -0.12 0.00 0.00 57.88 57.34 1bu9 h LEU 107 Cb 0.03 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1bu9 h LEU 107 CO 0.00 1.10 0.52 0.45 -0.62 0.00 0.00 178.44 179.89 1bu9 h HIS 108 N -1.00 0.00 0.00 1.25 3.86 -1.65 0.57 115.15 118.17 1bu9 h HIS 108 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1bu9 h HIS 108 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1bu9 h HIS 108 CO 0.13 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.20 1bu9 n LEU 109 N -4.14 0.71 -0.38 2.43 4.32 -0.77 0.11 117.00 119.29 1bu9 n LEU 109 Ca 0.13 0.49 0.38 0.00 -0.02 0.00 0.00 56.01 56.99 1bu9 n LEU 109 Cb 0.77 -0.32 0.68 0.00 -1.62 0.00 0.00 43.42 42.94 1bu9 n LEU 109 CO 0.35 -0.32 1.35 0.00 -1.22 0.00 0.00 177.39 177.55 1bu9 h ALA 110 N -2.00 3.23 0.21 -1.18 0.00 -0.68 2.43 119.26 121.27 1bu9 h ALA 110 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1bu9 h ALA 110 Cb 0.00 0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.91 1bu9 h ALA 110 CO 0.00 -1.80 -1.43 0.00 0.00 0.00 0.00 179.25 176.02 1bu9 h ALA 111 N 1.02 -0.05 -0.79 0.00 0.00 0.16 1.13 119.26 120.73 1bu9 h ALA 111 Ca 0.63 -0.90 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1bu9 h ALA 111 Cb 2.86 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 20.66 1bu9 h ALA 111 CO -0.01 0.82 0.00 0.87 0.00 0.00 0.00 179.25 180.93 1bu9 h LYS 112 N 0.12 0.09 0.15 0.00 1.79 1.18 0.26 116.57 120.16 1bu9 h LYS 112 Ca -0.23 -0.01 -0.29 0.00 -2.18 0.00 0.00 60.65 57.95 1bu9 h LYS 112 Cb 2.10 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.75 1bu9 h LYS 112 CO 0.25 0.06 -1.29 0.93 -1.08 0.00 0.00 179.45 178.31 1bu9 h GLU 113 N 0.09 0.33 0.00 3.15 4.39 -1.58 -3.46 114.58 117.49 1bu9 h GLU 113 Ca 0.44 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1bu9 h GLU 113 Cb 0.79 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1bu9 h GLU 113 CO -0.71 1.27 0.00 0.41 -1.16 0.00 0.00 179.01 178.82 1bu9 n GLY 114 N 1.57 1.73 3.51 -3.84 0.00 0.90 -4.88 105.19 104.18 1bu9 n GLY 114 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.88 0.68 0.00 1.61 8.25 0.38 -4.78 115.22 120.48 1bu9 n HIS 115 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1bu9 n HIS 115 Cb 0.00 -1.71 0.00 0.00 1.12 0.00 0.00 29.99 29.40 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 13.84 0.00 -0.39 2.41 7.94 -1.26 0.20 117.00 139.74 1bu9 n LEU 116 Ca 0.45 0.19 0.33 0.00 -1.11 0.00 0.00 56.01 55.87 1bu9 n LEU 116 Cb 0.44 0.00 0.56 0.00 0.53 0.00 0.00 43.42 44.96 1bu9 n LEU 116 CO 0.90 0.00 1.01 -1.14 -1.11 0.00 0.00 177.39 177.06 1bu9 n ARG 117 N -0.34 -0.03 0.00 1.96 0.63 -1.26 0.22 116.66 117.83 1bu9 n ARG 117 Ca 0.00 1.05 -0.00 0.00 -0.92 0.00 0.00 57.85 57.98 1bu9 n ARG 117 Cb 0.00 -2.06 -0.00 0.00 0.45 0.00 0.00 32.46 30.85 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 -0.84 5.15 2.07 -1.58 -2.29 116.25 118.76 1bu9 h VAL 118 Ca 0.73 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.39 1bu9 h VAL 118 Cb 2.36 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1bu9 h VAL 118 CO -0.40 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.32 1bu9 h VAL 119 N -0.00 0.83 -0.37 2.57 2.07 0.52 0.95 116.25 122.81 1bu9 h VAL 119 Ca -0.00 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.42 1bu9 h VAL 119 Cb 0.00 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1bu9 h VAL 119 CO 0.00 0.11 0.38 -0.08 0.02 0.00 0.00 177.57 178.01 1bu9 h GLU 120 N 0.61 0.00 0.01 1.57 4.22 0.26 -1.48 114.58 119.77 1bu9 h GLU 120 Ca 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.85 1bu9 h GLU 120 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1bu9 h GLU 120 CO -0.17 0.00 -0.01 0.35 -2.18 0.00 0.00 179.01 177.00 1bu9 h PHE 121 N 0.00 -0.01 -0.75 0.92 3.04 0.15 -2.30 116.94 117.99 1bu9 h PHE 121 Ca 0.18 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.34 1bu9 h PHE 121 Cb 0.94 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 1bu9 h PHE 121 CO 0.00 0.80 0.54 -0.07 -2.02 0.00 0.00 178.31 177.55 1bu9 h LEU 122 N -0.90 0.00 0.00 0.59 3.38 -1.16 0.85 115.31 118.07 1bu9 h LEU 122 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1bu9 h LEU 122 Cb 0.81 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1bu9 h LEU 122 CO 0.00 0.00 -0.53 1.62 0.09 0.00 0.00 178.44 179.63 1bu9 h VAL 123 N 0.00 0.17 -2.39 1.22 3.04 -1.44 -3.19 116.25 113.67 1bu9 h VAL 123 Ca 0.36 -1.27 -0.52 0.00 -1.01 0.00 0.00 66.70 64.26 1bu9 h VAL 123 Cb 1.43 1.90 -0.04 0.00 -2.01 0.00 0.00 31.29 32.58 1bu9 h VAL 123 CO -0.00 0.10 -0.50 -0.75 -1.01 0.00 0.00 177.57 175.41 1bu9 s LYS 124 N -3.20 3.18 0.00 4.17 2.47 0.30 -4.37 119.74 122.29 1bu9 s LYS 124 Ca 0.03 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.61 1bu9 s LYS 124 Cb 0.07 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.68 1bu9 s LYS 124 CO 0.73 0.46 0.00 0.72 0.16 0.00 0.00 175.35 177.42 1bu9 n HIS 125 N -0.91 0.00 -1.35 4.03 8.25 -1.26 -4.81 115.22 119.17 1bu9 n HIS 125 Ca -0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 1bu9 n HIS 125 Cb 0.56 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.77 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 1.67 1.59 -2.24 -1.26 -4.92 114.28 109.12 1bu9 n THR 126 Ca 0.00 -0.44 0.09 0.00 -2.27 0.00 0.00 64.05 61.43 1bu9 n THR 126 Cb 0.00 -1.68 0.41 0.00 -2.10 0.00 0.00 70.33 66.96 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 -3.48 2.56 -1.52 6.98 0.00 -1.26 -4.90 120.51 118.89 1bu9 n ALA 127 Ca -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.10 1bu9 n ALA 127 Cb 0.28 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 -7.71 -3.85 0.00 7.64 -1.20 -4.57 113.62 103.61 1bu9 n SER 128 Ca 0.13 1.66 -0.42 0.00 1.01 0.00 0.00 58.87 61.25 1bu9 n SER 128 Cb 0.16 -4.86 0.01 0.00 -1.01 0.00 0.00 64.21 58.51 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 -2.93 6.57 0.00 6.43 6.94 -1.26 -4.92 115.26 126.09 1bu9 n ASN 129 Ca -0.02 -3.41 0.00 0.00 -0.02 0.00 0.00 54.58 51.13 1bu9 n ASN 129 Cb 0.49 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 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 1.34 0.00 -0.80 3.53 0.24 -1.26 -3.05 118.33 118.32 1bu9 n VAL 130 Ca 0.36 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.51 1bu9 n VAL 130 Cb 0.31 -0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 31.93 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 0.00 2.79 2.59 7.63 0.00 -1.23 -4.56 105.19 112.40 1bu9 n GLY 131 Ca 0.00 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 3.01 2.85 -1.90 1.61 -0.00 -1.17 -4.95 115.22 114.66 1bu9 n HIS 132 Ca 0.39 -2.92 -0.42 0.00 -0.00 0.00 0.00 57.72 54.77 1bu9 n HIS 132 Cb 0.53 -2.21 -0.03 0.00 -0.00 0.00 0.00 29.99 28.29 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 1.12 4.17 0.00 1.57 0.52 -1.26 -3.04 118.95 122.03 1bu9 s ARG 133 Ca 0.53 2.33 0.00 0.00 -0.52 0.00 0.00 55.73 58.07 1bu9 s ARG 133 Cb 0.15 -4.01 0.00 0.00 0.52 0.00 0.00 34.95 31.61 1bu9 s ARG 133 CO -0.06 -0.87 0.00 0.27 0.02 0.00 0.00 175.30 174.66 1bu9 n ASN 134 N 7.14 0.00 -0.07 0.23 6.94 -1.20 -4.48 115.26 123.81 1bu9 n ASN 134 Ca 0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.61 1bu9 n ASN 134 Cb 0.42 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.78 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 0.00 0.58 0.00 -2.53 3.86 -1.84 -2.94 115.15 112.27 1bu9 h HIS 135 Ca 0.00 -0.18 -0.17 0.00 -1.16 0.00 0.00 60.37 58.86 1bu9 h HIS 135 Cb 0.00 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1bu9 h HIS 135 CO 0.00 0.85 -0.82 -0.22 0.86 0.00 0.00 177.93 178.60 1bu9 h LYS 136 N 0.14 0.03 0.00 2.45 3.64 -1.91 -3.47 116.57 117.45 1bu9 h LYS 136 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bu9 h LYS 136 Cb 0.76 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1bu9 h LYS 136 CO 0.05 0.83 0.00 0.41 -2.27 0.00 0.00 179.45 178.47 1bu9 n GLY 137 N 0.81 1.15 3.56 5.01 0.00 -1.11 -5.00 105.19 109.60 1bu9 n GLY 137 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.44 4.34 1.21 1.61 1.01 -1.26 -3.71 116.67 118.42 1bu9 s ASP 138 Ca 0.00 -0.30 -0.16 0.00 0.71 0.00 0.00 52.55 52.80 1bu9 s ASP 138 Cb 0.00 -2.56 0.25 0.00 1.01 0.00 0.00 42.92 41.62 1bu9 s ASP 138 CO 0.00 -3.50 0.56 0.35 0.21 0.00 0.00 175.17 172.79 1bu9 n THR 139 N 8.46 0.00 0.15 -1.27 -2.24 -1.25 -3.27 114.28 114.85 1bu9 n THR 139 Ca 0.44 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.24 1bu9 n THR 139 Cb 0.45 -0.64 0.08 0.00 -2.10 0.00 0.00 70.33 68.11 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 -4.74 1.41 -0.11 6.98 0.00 -1.17 -1.88 120.51 121.00 1bu9 n ALA 140 Ca -0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 1bu9 n ALA 140 Cb 0.39 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.28 0.00 -0.08 0.00 8.00 -0.79 -1.49 116.55 118.92 1bu9 n ASP 142 Ca -0.43 0.37 -0.06 0.00 0.71 0.00 0.00 54.79 55.37 1bu9 n ASP 142 Cb 1.00 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 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 -1.43 1.83 0.26 0.64 4.77 -0.96 -2.94 117.00 119.16 1bu9 n LEU 143 Ca 0.05 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1bu9 n LEU 143 Cb 0.15 -0.81 0.82 0.00 -2.33 0.00 0.00 43.42 41.24 1bu9 n LEU 143 CO 0.13 -0.39 1.12 0.00 -1.33 0.00 0.00 177.39 176.91 1bu9 h ALA 144 N -1.02 1.75 0.04 -1.18 0.00 -1.54 -0.23 119.26 117.09 1bu9 h ALA 144 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bu9 h ALA 144 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1bu9 h ALA 144 CO 0.00 -0.08 -0.02 -0.09 0.00 0.00 0.00 179.25 179.06 1bu9 h ARG 145 N 0.00 -0.06 -0.78 0.00 1.12 -1.38 0.41 114.38 113.70 1bu9 h ARG 145 Ca 0.03 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1bu9 h ARG 145 Cb 0.13 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.07 1bu9 h ARG 145 CO -0.00 0.59 0.41 -0.07 -3.11 0.00 0.00 179.97 177.79 1bu9 h LEU 146 N -0.81 0.98 -1.04 3.80 3.38 -1.32 -1.37 115.31 118.92 1bu9 h LEU 146 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1bu9 h LEU 146 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bu9 h LEU 146 CO 0.01 0.80 0.00 1.88 0.09 0.00 0.00 178.44 181.22 1bu9 h TYR 147 N 1.09 0.00 0.00 1.13 0.05 -1.12 -3.46 116.97 114.66 1bu9 h TYR 147 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1bu9 h TYR 147 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1bu9 h TYR 147 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 1bu9 n GLY 148 N -0.20 1.28 3.56 3.88 0.00 -0.51 -5.03 105.19 108.16 1bu9 n GLY 148 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.64 2.67 -0.14 1.61 3.00 0.14 -4.80 118.95 120.79 1bu9 s ARG 149 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 55.73 55.52 1bu9 s ARG 149 Cb 0.00 -4.75 -0.25 0.00 0.00 0.00 0.00 34.95 29.95 1bu9 s ARG 149 CO 0.00 -2.98 0.62 -2.95 0.00 0.00 0.00 175.30 169.98 1bu9 h ASN 150 N 12.69 0.09 -0.58 0.23 7.08 -1.90 -2.21 115.58 130.98 1bu9 h ASN 150 Ca -0.07 -0.85 0.17 0.00 -3.08 0.00 0.00 56.30 52.47 1bu9 h ASN 150 Cb 1.07 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 37.26 1bu9 h ASN 150 CO 1.23 1.23 0.61 1.05 -2.08 0.00 0.00 177.43 179.47 1bu9 h GLU 151 N -0.86 0.00 0.02 4.14 4.11 -1.94 2.67 114.58 122.70 1bu9 h GLU 151 Ca -0.14 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.05 1bu9 h GLU 151 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1bu9 h GLU 151 CO -0.03 0.00 -1.29 0.28 0.07 0.00 0.00 179.01 178.04 1bu9 h VAL 152 N 0.00 1.38 0.23 -1.06 2.07 -1.86 -2.15 116.25 114.86 1bu9 h VAL 152 Ca 0.27 -3.12 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 1bu9 h VAL 152 Cb 1.49 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 1bu9 h VAL 152 CO -0.00 0.80 -0.11 0.58 0.02 0.00 0.00 177.57 178.86 1bu9 h VAL 153 N 0.01 0.61 -0.87 2.57 2.07 0.47 -3.11 116.25 118.00 1bu9 h VAL 153 Ca -0.12 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1bu9 h VAL 153 Cb 1.88 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1bu9 h VAL 153 CO 0.12 0.15 0.57 0.28 0.02 0.00 0.00 177.57 178.71 1bu9 h SER 154 N -0.93 0.85 -0.24 0.57 0.02 0.11 0.23 113.55 114.17 1bu9 h SER 154 Ca -0.03 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1bu9 h SER 154 Cb 0.49 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1bu9 h SER 154 CO 0.05 0.54 -0.29 0.25 -1.14 0.00 0.00 176.83 176.24 1bu9 h LEU 155 N 0.97 -0.99 0.47 5.07 7.12 -1.37 0.90 115.31 127.48 1bu9 h LEU 155 Ca 0.38 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.50 1bu9 h LEU 155 Cb 0.23 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 1bu9 h LEU 155 CO -0.14 -0.20 -0.23 0.24 -0.13 0.00 0.00 178.44 177.98 1bu9 h MET 156 N -0.19 -0.61 -1.29 1.25 2.86 -1.40 0.21 114.93 115.77 1bu9 h MET 156 Ca 0.04 0.04 0.43 0.00 -2.06 0.00 0.00 59.70 58.16 1bu9 h MET 156 Cb 0.30 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 31.96 1bu9 h MET 156 CO -0.33 -0.40 0.82 1.96 1.06 0.00 0.00 176.91 180.02 1bu9 h GLN 157 N -1.17 0.08 0.21 1.72 4.20 -0.49 0.63 115.11 120.28 1bu9 h GLN 157 Ca -0.06 -0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.30 1bu9 h GLN 157 Cb 0.48 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.26 1bu9 h GLN 157 CO 0.11 0.05 -1.64 0.00 -0.67 0.00 0.00 178.83 176.68 1bu9 h ALA 158 N 1.64 0.05 -0.16 3.87 0.00 0.88 -3.33 119.26 122.20 1bu9 h ALA 158 Ca 0.83 -1.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1bu9 h ALA 158 Cb 2.54 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 20.62 1bu9 h ALA 158 CO -0.46 0.89 -0.02 0.09 0.00 0.00 0.00 179.25 179.76 1bu9 n ASN 159 N -3.66 5.67 -3.10 0.00 3.02 0.22 -4.85 115.26 112.56 1bu9 n ASN 159 Ca -0.22 -2.67 -0.00 0.00 -0.03 0.00 0.00 54.58 51.65 1bu9 n ASN 159 Cb 1.07 -1.25 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 1.59 -0.58 0.00 7.41 0.00 -0.96 -4.84 105.19 107.81 1bu9 n GLY 160 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.59 0.00 -1.31 4.61 0.00 -1.12 -4.69 120.51 119.59 1bu9 n ALA 161 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1bu9 n ALA 161 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bu9 n GLY 162 N 0.00 2.35 7.00 0.00 0.00 -1.19 -3.51 105.19 109.84 1bu9 n GLY 162 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1bu9 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bu9 n GLY 163 N 4.73 2.25 3.53 -0.02 0.00 -1.26 -4.32 105.19 110.09 1bu9 n GLY 163 Ca 0.49 0.41 -0.36 0.00 0.00 0.00 0.00 46.02 46.55 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 9.92 0.58 -1.64 4.61 0.00 -1.26 -4.89 120.51 127.83 1bu9 n ALA 164 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1bu9 n ALA 164 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1bu9 n ALA 164 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bu9 n THR 165 N 7.76 0.00 -2.91 0.00 5.66 -1.26 -4.91 114.28 118.62 1bu9 n THR 165 Ca 0.50 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.08 1bu9 n THR 165 Cb 0.33 -0.76 -0.05 0.00 -1.55 0.00 0.00 70.33 68.30 1bu9 n THR 165 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1bu9 s ASN 166 N -1.00 6.64 -0.43 1.09 2.47 -1.26 -4.92 114.94 117.53 1bu9 s ASN 166 Ca 0.00 0.56 0.05 0.00 0.42 0.00 0.00 52.86 53.88 1bu9 s ASN 166 Cb 0.00 -2.42 0.44 0.00 -1.45 0.00 0.00 41.25 37.82 1bu9 s ASN 166 CO 0.00 -0.72 1.33 0.18 -3.72 0.00 0.00 177.10 174.18 1bu9 n LEU 167 N 6.42 5.41 0.00 3.21 4.77 -1.26 -5.10 117.00 130.45 1bu9 n LEU 167 Ca 0.05 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.18 1bu9 n LEU 167 Cb 0.48 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1bu9 n LEU 167 CO 0.53 2.04 0.00 0.00 -1.33 0.00 0.00 177.39 178.64