#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 3.52 -0.46 3.04 0.00 -1.26 -4.97 121.76 121.63 1bu9 s ALA 2 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.71 1bu9 s ALA 2 Cb 0.00 -2.80 0.25 0.00 0.00 0.00 0.00 23.12 20.57 1bu9 s ALA 2 CO 0.00 -0.34 0.82 0.39 0.00 0.00 0.00 175.76 176.63 1bu9 n GLU 3 N 4.53 0.79 -0.04 0.00 1.02 -1.26 -5.14 120.64 120.54 1bu9 n GLU 3 Ca -0.05 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.98 1bu9 n GLU 3 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1bu9 n GLU 3 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1bu9 n PRO 4 N 1.46 0.55 -2.91 3.49 -0.04 -1.26 -4.61 135.00 131.67 1bu9 n PRO 4 Ca 0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1bu9 n PRO 4 Cb 0.61 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 1bu9 n PRO 4 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1bu9 n TRP 5 N -1.08 -1.62 0.00 0.54 -0.00 -1.26 -4.65 117.44 109.37 1bu9 n TRP 5 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 57.50 58.43 1bu9 n TRP 5 Cb 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 31.31 29.25 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 2.19 1.58 0.11 5.87 0.00 -1.26 -4.21 105.19 109.47 1bu9 n GLY 6 Ca -0.15 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.75 -0.09 1.61 5.15 -1.26 -3.64 115.26 117.77 1bu9 n ASN 7 Ca 0.00 -0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1bu9 n ASN 7 Cb 0.00 0.42 -0.10 0.00 -0.53 0.00 0.00 39.78 39.57 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 0.00 0.00 0.61 1.20 4.81 -1.87 -3.15 114.58 116.18 1bu9 h GLU 8 Ca -0.53 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1bu9 h GLU 8 Cb 2.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.50 1bu9 h GLU 8 CO -0.00 0.84 -0.29 1.25 -0.73 0.00 0.00 179.01 180.08 1bu9 h LEU 9 N -1.00 -0.69 -1.63 1.64 5.85 -1.86 -1.81 115.31 115.80 1bu9 h LEU 9 Ca -0.25 0.02 0.38 0.00 0.84 0.00 0.00 57.88 58.88 1bu9 h LEU 9 Cb 1.12 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.24 1bu9 h LEU 9 CO -0.15 -0.31 0.88 0.00 -0.34 0.00 0.00 178.44 178.52 1bu9 h ALA 10 N -1.24 2.85 -3.00 1.25 0.00 -1.79 1.79 119.26 119.12 1bu9 h ALA 10 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bu9 h ALA 10 Cb 0.63 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bu9 h ALA 10 CO 0.14 -1.33 0.00 0.43 0.00 0.00 0.00 179.25 178.49 1bu9 n SER 11 N -4.44 0.00 0.13 0.00 7.64 -0.94 0.19 113.62 116.20 1bu9 n SER 11 Ca 0.32 0.49 -0.14 0.00 1.01 0.00 0.00 58.87 60.55 1bu9 n SER 11 Cb 1.30 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.44 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 -0.59 -0.26 -0.43 0.00 -0.37 0.67 119.26 116.28 1bu9 h ALA 12 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1bu9 h ALA 12 Cb 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1bu9 h ALA 12 CO 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 179.25 178.06 1bu9 h ALA 13 N 0.04 -0.25 -0.10 0.00 0.00 0.26 0.51 119.26 119.72 1bu9 h ALA 13 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bu9 h ALA 13 Cb 0.59 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bu9 h ALA 13 CO -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.33 1bu9 n ALA 14 N -2.90 2.56 0.22 0.00 0.00 0.51 -2.34 120.51 118.56 1bu9 n ALA 14 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.25 1bu9 n ALA 14 Cb 0.32 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 1bu9 n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bu9 n ARG 15 N -0.09 2.66 0.00 0.00 5.12 0.23 -4.53 116.66 120.05 1bu9 n ARG 15 Ca 0.04 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1bu9 n ARG 15 Cb 0.19 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bu9 n GLY 16 N 1.54 1.29 3.46 -0.13 0.00 0.21 -5.01 105.19 106.53 1bu9 n GLY 16 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 6.44 -0.09 1.61 1.11 0.13 -4.87 116.67 119.01 1bu9 s ASP 17 Ca 0.00 -1.62 -0.27 0.00 0.18 0.00 0.00 52.55 50.84 1bu9 s ASP 17 Cb 0.00 -2.41 -0.23 0.00 1.07 0.00 0.00 42.92 41.35 1bu9 s ASP 17 CO 0.00 -1.23 0.96 0.25 1.18 0.00 0.00 175.17 176.34 1bu9 h LEU 18 N 10.87 -0.01 0.20 1.23 6.46 -1.93 -2.88 115.31 129.25 1bu9 h LEU 18 Ca -0.01 -0.74 -0.01 0.00 -0.12 0.00 0.00 57.88 57.00 1bu9 h LEU 18 Cb 1.04 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1bu9 h LEU 18 CO 1.15 0.75 -0.10 -0.08 -0.62 0.00 0.00 178.44 179.55 1bu9 h GLU 19 N -0.79 -0.26 -0.84 1.25 4.22 -1.99 -2.45 114.58 113.72 1bu9 h GLU 19 Ca -0.00 0.02 0.21 0.00 0.08 0.00 0.00 59.36 59.67 1bu9 h GLU 19 Cb 0.75 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 1bu9 h GLU 19 CO 0.00 -0.08 0.13 0.37 -2.18 0.00 0.00 179.01 177.25 1bu9 h GLN 20 N -0.38 0.15 -0.12 1.92 4.15 -1.97 1.92 115.11 120.78 1bu9 h GLN 20 Ca -0.03 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.41 1bu9 h GLN 20 Cb 0.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1bu9 h GLN 20 CO 0.04 0.10 0.08 -0.07 -1.93 0.00 0.00 178.83 177.06 1bu9 h LEU 21 N 0.15 0.06 0.43 -2.39 -0.00 -1.22 -0.89 115.31 111.45 1bu9 h LEU 21 Ca 0.50 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.36 1bu9 h LEU 21 Cb 0.97 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1bu9 h LEU 21 CO -0.68 0.04 -0.21 0.74 -0.00 0.00 0.00 178.44 178.33 1bu9 h THR 22 N 0.07 0.00 -0.53 0.22 2.02 0.34 -2.38 112.91 112.65 1bu9 h THR 22 Ca 0.05 -0.44 0.11 0.00 0.77 0.00 0.00 66.41 66.90 1bu9 h THR 22 Cb 0.13 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.44 1bu9 h THR 22 CO -0.01 0.00 -0.14 -1.28 0.37 0.00 0.00 175.52 174.47 1bu9 h SER 23 N -1.02 -0.51 -0.84 4.18 0.87 -1.03 0.39 113.55 115.59 1bu9 h SER 23 Ca -0.06 0.16 0.17 0.00 -1.23 0.00 0.00 61.79 60.83 1bu9 h SER 23 Cb 0.45 0.33 -0.10 0.00 -0.44 0.00 0.00 62.40 62.63 1bu9 h SER 23 CO 0.10 -0.18 0.39 -0.07 -0.53 0.00 0.00 176.83 176.54 1bu9 h LEU 24 N -0.00 0.40 -0.47 2.23 3.38 -1.22 0.65 115.31 120.27 1bu9 h LEU 24 Ca 0.25 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 1bu9 h LEU 24 Cb 0.39 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1bu9 h LEU 24 CO -0.55 0.12 -0.16 0.25 0.09 0.00 0.00 178.44 178.19 1bu9 h LEU 25 N 0.51 0.96 -0.33 1.67 5.85 0.09 1.34 115.31 125.39 1bu9 h LEU 25 Ca 0.48 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1bu9 h LEU 25 Cb 0.78 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1bu9 h LEU 25 CO -0.43 1.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 1bu9 n GLN 26 N -4.18 0.08 -0.03 1.25 1.13 0.99 -3.84 117.38 112.78 1bu9 n GLN 26 Ca -0.00 0.34 -0.04 0.00 -1.94 0.00 0.00 57.00 55.36 1bu9 n GLN 26 Cb 0.42 -1.67 -0.01 0.00 0.11 0.00 0.00 30.24 29.09 1bu9 n GLN 26 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1bu9 n ASN 27 N -1.83 1.11 -3.65 1.08 5.15 0.19 -5.05 115.26 112.26 1bu9 n ASN 27 Ca 0.03 0.18 -0.02 0.00 -0.60 0.00 0.00 54.58 54.16 1bu9 n ASN 27 Cb 0.19 -0.53 -0.07 0.00 -0.53 0.00 0.00 39.78 38.83 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bu9 s ASN 28 N -5.35 -0.01 0.25 1.20 3.84 0.45 -5.07 114.94 110.25 1bu9 s ASN 28 Ca -0.14 0.03 -0.16 0.00 0.21 0.00 0.00 52.86 52.80 1bu9 s ASN 28 Cb 0.02 0.03 0.01 0.00 -0.55 0.00 0.00 41.25 40.75 1bu9 s ASN 28 CO 0.20 -0.00 0.55 0.68 -2.79 0.00 0.00 177.10 175.74 1bu9 s VAL 29 N 0.00 0.00 -0.64 -5.21 -7.23 -1.26 -4.55 120.40 101.52 1bu9 s VAL 29 Ca 0.08 -1.23 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1bu9 s VAL 29 Cb -0.05 -2.08 0.23 0.00 0.56 0.00 0.00 36.38 35.04 1bu9 s VAL 29 CO -0.17 -0.02 0.67 0.59 -0.31 0.00 0.00 175.10 175.86 1bu9 n ASN 30 N -0.40 3.30 -0.25 4.85 5.03 -1.26 -4.93 115.26 121.61 1bu9 n ASN 30 Ca -0.03 -3.33 0.30 0.00 0.87 0.00 0.00 54.58 52.39 1bu9 n ASN 30 Cb 0.61 -0.69 0.48 0.00 -1.02 0.00 0.00 39.78 39.17 1bu9 n ASN 30 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1bu9 h VAL 31 N 3.43 0.02 -0.39 2.41 -1.51 -1.97 2.73 116.25 120.98 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 0.70 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1bu9 h VAL 31 CO 0.78 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.71 1bu9 n ASN 32 N -3.33 3.06 -3.20 4.19 5.03 -1.26 -4.55 115.26 115.19 1bu9 n ASN 32 Ca 0.25 -1.94 0.00 0.00 0.87 0.00 0.00 54.58 53.75 1bu9 n ASN 32 Cb 1.54 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 40.04 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 0.81 0.00 -3.25 5.41 0.00 0.91 -4.92 120.51 119.47 1bu9 n ALA 33 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1bu9 n ALA 33 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.94 0.17 0.77 0.00 -0.21 -1.26 -4.07 119.66 114.12 1bu9 s GLN 34 Ca 0.00 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 55.65 1bu9 s GLN 34 Cb 0.00 0.23 0.05 0.00 1.00 0.00 0.00 33.01 34.29 1bu9 s GLN 34 CO 0.00 -0.09 1.14 1.21 -2.12 0.00 0.00 175.29 175.43 1bu9 s ASN 35 N 2.47 4.88 0.64 5.90 2.47 -1.20 -4.80 114.94 125.29 1bu9 s ASN 35 Ca -0.01 0.95 0.28 0.00 0.42 0.00 0.00 52.86 54.50 1bu9 s ASN 35 Cb -0.05 -1.58 1.51 0.00 -1.45 0.00 0.00 41.25 39.68 1bu9 s ASN 35 CO -0.15 -1.69 1.88 1.23 -3.72 0.00 0.00 177.10 174.65 1bu9 h GLY 36 N -0.90 0.00 2.00 1.21 0.00 -1.93 1.82 103.07 105.27 1bu9 h GLY 36 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1bu9 h GLY 36 CO 0.65 0.00 -0.31 -2.75 0.00 0.00 0.00 176.54 174.13 1bu9 h PHE 37 N 0.00 0.00 0.00 5.60 3.04 -1.93 -3.46 116.94 120.18 1bu9 h PHE 37 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1bu9 h PHE 37 Cb 0.91 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1bu9 h PHE 37 CO 0.00 0.31 0.00 0.41 -2.02 0.00 0.00 178.31 177.01 1bu9 n GLY 38 N -0.37 1.51 3.10 2.40 0.00 0.62 -4.47 105.19 107.98 1bu9 n GLY 38 Ca -0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.79 0.25 0.63 1.61 3.03 -1.25 -3.63 118.95 118.79 1bu9 s ARG 39 Ca 0.00 0.53 -0.18 0.00 2.03 0.00 0.00 55.73 58.11 1bu9 s ARG 39 Cb 0.00 -0.06 -0.02 0.00 -1.03 0.00 0.00 34.95 33.84 1bu9 s ARG 39 CO 0.00 -0.14 1.21 0.95 -1.13 0.00 0.00 175.30 176.19 1bu9 s THR 40 N 1.07 2.53 0.61 4.99 -4.23 -1.26 -3.22 115.64 116.13 1bu9 s THR 40 Ca -0.08 0.31 0.27 0.00 -1.18 0.00 0.00 61.69 61.02 1bu9 s THR 40 Cb -0.09 -3.06 0.35 0.00 1.34 0.00 0.00 72.50 71.04 1bu9 s THR 40 CO -0.07 -0.09 1.76 0.00 -0.54 0.00 0.00 174.62 175.67 1bu9 h ALA 41 N 0.60 2.15 0.00 3.99 0.00 -1.89 2.29 119.26 126.40 1bu9 h ALA 41 Ca -0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1bu9 h ALA 41 Cb 1.30 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1bu9 h ALA 41 CO 0.54 -0.84 -0.10 1.25 0.00 0.00 0.00 179.25 180.10 1bu9 h LEU 42 N 0.00 0.00 0.02 0.00 7.12 -1.88 0.17 115.31 120.75 1bu9 h LEU 42 Ca 0.21 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 58.07 1bu9 h LEU 42 Cb 1.43 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.54 1bu9 h LEU 42 CO -0.00 0.10 -0.82 1.56 -0.13 0.00 0.00 178.44 179.14 1bu9 h GLN 43 N 0.00 0.05 0.65 1.25 4.20 0.35 -3.40 115.11 118.22 1bu9 h GLN 43 Ca -0.00 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1bu9 h GLN 43 Cb 0.26 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1bu9 h GLN 43 CO 0.01 1.04 -0.31 -0.39 -0.67 0.00 0.00 178.83 178.51 1bu9 h VAL 44 N -0.86 0.00 -1.44 -0.54 -1.51 -1.22 -3.44 116.25 107.24 1bu9 h VAL 44 Ca -0.21 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1bu9 h VAL 44 Cb 1.28 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1bu9 h VAL 44 CO -0.08 0.00 0.00 1.15 -1.23 0.00 0.00 177.57 177.41 1bu9 n MET 45 N -5.12 -1.04 0.00 5.19 0.00 0.59 -3.92 117.12 112.82 1bu9 n MET 45 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1bu9 n MET 45 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.52 1bu9 n MET 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1bu9 n LYS 46 N -0.48 0.00 0.00 3.17 4.76 -0.99 -4.34 118.16 120.29 1bu9 n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1bu9 n LYS 46 Cb 0.08 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 1bu9 n LYS 46 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bu9 n LEU 47 N 0.00 0.00 0.01 -0.35 4.77 -1.25 -4.82 117.00 115.36 1bu9 n LEU 47 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1bu9 n LEU 47 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1bu9 n LEU 47 CO 0.00 0.00 0.66 1.23 -1.33 0.00 0.00 177.39 177.95 1bu9 h GLY 48 N 0.00 -0.40 -5.70 -0.72 0.00 -1.94 -3.34 103.07 90.97 1bu9 h GLY 48 Ca 0.00 0.36 -0.65 0.00 0.00 0.00 0.00 47.33 47.04 1bu9 h GLY 48 CO 0.00 -0.22 -0.46 0.54 0.00 0.00 0.00 176.54 176.41 1bu9 s ASN 49 N -4.92 6.39 0.11 0.19 2.20 -1.26 -4.95 114.94 112.71 1bu9 s ASN 49 Ca -0.15 0.47 0.23 0.00 -0.94 0.00 0.00 52.86 52.47 1bu9 s ASN 49 Cb 0.10 -2.09 0.17 0.00 -2.00 0.00 0.00 41.25 37.43 1bu9 s ASN 49 CO 0.66 0.36 1.15 -0.81 -2.94 0.00 0.00 177.10 175.52 1bu9 n PRO 50 N 2.26 0.37 0.11 3.55 -0.04 -1.25 -3.48 135.00 136.52 1bu9 n PRO 50 Ca -0.19 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1bu9 n PRO 50 Cb 0.54 -1.69 0.39 0.00 -0.04 0.00 0.00 33.50 32.70 1bu9 n PRO 50 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bu9 h GLU 51 N 0.00 0.25 -0.24 0.54 3.07 -1.92 -1.25 114.58 115.02 1bu9 h GLU 51 Ca 0.00 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1bu9 h GLU 51 Cb 0.80 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1bu9 h GLU 51 CO 0.00 0.38 -0.18 0.82 -1.40 0.00 0.00 179.01 178.63 1bu9 h ILE 52 N 0.23 0.00 -0.38 3.13 1.08 -1.85 0.91 117.51 120.65 1bu9 h ILE 52 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1bu9 h ILE 52 Cb 0.37 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 1bu9 h ILE 52 CO 0.02 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 177.55 1bu9 h ALA 53 N -0.67 0.50 -0.76 1.87 0.00 -1.76 -3.03 119.26 115.41 1bu9 h ALA 53 Ca 0.04 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1bu9 h ALA 53 Cb 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 1bu9 h ALA 53 CO -0.26 0.19 -0.50 -0.09 0.00 0.00 0.00 179.25 178.59 1bu9 h ARG 54 N 0.46 -0.14 -0.76 0.00 2.43 0.17 2.24 114.38 118.78 1bu9 h ARG 54 Ca 0.12 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.46 1bu9 h ARG 54 Cb 0.34 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.78 1bu9 h ARG 54 CO 0.01 -0.09 -0.12 0.00 -1.51 0.00 0.00 179.97 178.25 1bu9 h ARG 55 N -0.15 0.03 0.35 0.20 2.47 0.89 1.77 114.38 119.94 1bu9 h ARG 55 Ca 0.18 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 1bu9 h ARG 55 Cb 0.52 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1bu9 h ARG 55 CO -0.81 0.02 -0.17 -0.07 0.56 0.00 0.00 179.97 179.51 1bu9 h LEU 56 N 0.03 -0.39 -0.95 3.04 3.38 0.32 -3.17 115.31 117.56 1bu9 h LEU 56 Ca 0.38 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.60 1bu9 h LEU 56 Cb 0.63 0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.30 1bu9 h LEU 56 CO -0.74 -0.13 -0.05 0.25 0.09 0.00 0.00 178.44 177.86 1bu9 h LEU 57 N -0.77 -0.58 -0.56 1.67 7.12 0.41 0.30 115.31 122.89 1bu9 h LEU 57 Ca -0.05 0.27 0.11 0.00 0.13 0.00 0.00 57.88 58.35 1bu9 h LEU 57 Cb 0.36 0.50 -0.11 0.00 -0.53 0.00 0.00 40.66 40.88 1bu9 h LEU 57 CO 0.08 -0.32 -0.17 -0.07 -0.13 0.00 0.00 178.44 177.83 1bu9 h LEU 58 N 0.02 -0.62 -1.74 2.25 -0.00 0.26 0.43 115.31 115.91 1bu9 h LEU 58 Ca 0.53 0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 58.57 1bu9 h LEU 58 Cb 1.01 0.38 -0.01 0.00 -0.00 0.00 0.00 40.66 42.05 1bu9 h LEU 58 CO -0.91 -0.21 -0.07 -0.09 -0.00 0.00 0.00 178.44 177.16 1bu9 h ARG 59 N -0.03 0.08 0.00 1.13 1.12 -0.40 -3.44 114.38 112.83 1bu9 h ARG 59 Ca 0.27 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1bu9 h ARG 59 Cb 0.44 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.39 1bu9 h ARG 59 CO -0.60 0.15 0.00 0.41 -3.11 0.00 0.00 179.97 176.82 1bu9 n GLY 60 N -1.24 0.00 3.80 2.80 0.00 0.14 -5.14 105.19 105.56 1bu9 n GLY 60 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.61 -0.24 4.61 0.00 -0.80 -4.89 121.76 124.06 1bu9 s ALA 61 Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 1bu9 s ALA 61 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1bu9 s ALA 61 CO 0.00 0.36 0.74 -0.80 0.00 0.00 0.00 175.76 176.06 1bu9 s ASN 62 N -0.77 6.74 0.00 0.00 0.01 -1.26 -4.61 114.94 115.05 1bu9 s ASN 62 Ca 0.26 0.92 0.17 0.00 -0.71 0.00 0.00 52.86 53.50 1bu9 s ASN 62 Cb -0.18 -2.40 0.75 0.00 0.41 0.00 0.00 41.25 39.84 1bu9 s ASN 62 CO 0.15 -0.43 1.53 -0.81 -1.51 0.00 0.00 177.10 176.03 1bu9 n PRO 63 N 5.75 0.06 -0.13 -0.60 -0.04 -1.26 -3.65 135.00 135.14 1bu9 n PRO 63 Ca 0.03 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 1bu9 n PRO 63 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.45 1.98 -2.33 3.54 -0.08 -1.26 -2.82 116.55 114.13 1bu9 n ASP 64 Ca 0.05 0.05 -0.14 0.00 -1.51 0.00 0.00 54.79 53.24 1bu9 n ASP 64 Cb 0.18 -0.59 -0.11 0.00 2.34 0.00 0.00 41.12 42.95 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 -3.63 -0.50 -4.45 -2.67 -0.00 -1.24 -4.24 117.00 100.27 1bu9 n LEU 65 Ca -0.48 -0.17 -0.30 0.00 -0.00 0.00 0.00 56.01 55.05 1bu9 n LEU 65 Cb 0.95 -0.33 0.27 0.00 -0.00 0.00 0.00 43.42 44.31 1bu9 n LEU 65 CO 0.19 -0.64 0.52 -0.54 -0.00 0.00 0.00 177.39 176.92 1bu9 s LYS 66 N 3.92 -2.19 0.00 1.47 1.02 -1.26 -4.25 119.74 118.45 1bu9 s LYS 66 Ca 0.69 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1bu9 s LYS 66 Cb -0.50 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1bu9 s LYS 66 CO 0.28 -4.36 0.00 -0.40 -0.92 0.00 0.00 175.35 169.96 1bu9 n ASP 67 N -5.23 0.00 -0.09 2.83 5.75 -1.06 -4.78 116.55 113.98 1bu9 n ASP 67 Ca 0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.78 1bu9 n ASP 67 Cb 0.60 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.77 -0.25 0.11 -0.00 -1.78 -2.34 114.38 110.89 1bu9 h ARG 68 Ca 0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 1bu9 h ARG 68 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.00 1bu9 h ARG 68 CO 0.00 1.07 0.00 0.25 0.00 0.00 0.00 179.97 181.29 1bu9 n THR 69 N -4.17 0.00 -2.25 2.04 -2.24 -1.26 -4.78 114.28 101.61 1bu9 n THR 69 Ca -0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 1bu9 n THR 69 Cb 0.53 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.12 3.50 3.38 0.00 -0.88 -1.33 105.19 110.08 1bu9 n GLY 70 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.88 2.93 0.53 1.61 0.40 -1.26 -2.52 117.98 116.78 1bu9 s PHE 71 Ca 0.00 -0.17 -0.22 0.00 -0.60 0.00 0.00 56.93 55.94 1bu9 s PHE 71 Cb 0.00 -3.78 -0.06 0.00 0.51 0.00 0.00 43.02 39.69 1bu9 s PHE 71 CO 0.00 -1.16 1.28 0.00 0.70 0.00 0.00 175.22 176.04 1bu9 n ALA 72 N 6.84 1.29 -0.09 5.36 0.00 -1.24 -2.55 120.51 130.12 1bu9 n ALA 72 Ca -0.01 0.14 0.26 0.00 0.00 0.00 0.00 53.44 53.83 1bu9 n ALA 72 Cb 0.47 -2.30 0.68 0.00 0.00 0.00 0.00 19.45 18.30 1bu9 n ALA 72 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1bu9 h VAL 73 N 1.42 0.30 -0.82 0.00 3.04 -1.70 3.28 116.25 121.77 1bu9 h VAL 73 Ca -0.50 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.27 1bu9 h VAL 73 Cb 1.31 0.44 -0.05 0.00 -2.01 0.00 0.00 31.29 30.97 1bu9 h VAL 73 CO 0.57 0.00 0.53 0.40 -1.01 0.00 0.00 177.57 178.06 1bu9 h ILE 74 N 0.00 1.01 0.03 3.17 2.04 -1.85 0.98 117.51 122.89 1bu9 h ILE 74 Ca 0.37 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1bu9 h ILE 74 Cb 1.83 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1bu9 h ILE 74 CO -0.00 0.16 -0.04 0.45 0.00 0.00 0.00 178.15 178.71 1bu9 h HIS 75 N 0.85 -0.13 -1.17 1.37 3.86 0.58 0.22 115.15 120.73 1bu9 h HIS 75 Ca 0.36 0.00 0.44 0.00 -1.16 0.00 0.00 60.37 60.02 1bu9 h HIS 75 Cb 0.30 0.05 -0.16 0.00 1.06 0.00 0.00 27.41 28.66 1bu9 h HIS 75 CO -0.00 -0.05 0.70 -0.25 0.86 0.00 0.00 177.93 179.19 1bu9 n ASP 76 N -2.62 0.28 -0.09 2.45 9.92 -0.74 0.25 116.55 125.99 1bu9 n ASP 76 Ca -0.01 1.50 -0.14 0.00 -0.53 0.00 0.00 54.79 55.62 1bu9 n ASP 76 Cb 0.04 -0.74 -0.04 0.00 -0.64 0.00 0.00 41.12 39.74 1bu9 n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bu9 h ALA 77 N 1.77 0.44 0.01 2.24 0.00 0.97 -3.32 119.26 121.37 1bu9 h ALA 77 Ca 0.85 -0.43 -0.38 0.00 0.00 0.00 0.00 54.91 54.96 1bu9 h ALA 77 Cb 2.51 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 20.16 1bu9 h ALA 77 CO -0.61 0.51 -2.09 0.00 0.00 0.00 0.00 179.25 177.05 1bu9 n ALA 78 N -2.52 1.07 -0.32 0.00 0.00 0.38 0.27 120.51 119.39 1bu9 n ALA 78 Ca -0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 1bu9 n ALA 78 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 1bu9 n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 79 N -4.17 -0.26 -0.03 0.00 0.00 0.69 -1.52 116.66 111.37 1bu9 n ARG 79 Ca -0.45 1.24 -0.11 0.00 -0.00 0.00 0.00 57.85 58.52 1bu9 n ARG 79 Cb 0.84 -1.83 -0.10 0.00 0.00 0.00 0.00 32.46 31.38 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 0.81 -0.05 0.00 5.13 0.00 -1.73 -3.43 119.26 119.99 1bu9 h ALA 80 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bu9 h ALA 80 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bu9 h ALA 80 CO -0.79 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 178.77 1bu9 n GLY 81 N 1.23 0.02 3.05 0.00 0.00 -0.57 -5.02 105.19 103.89 1bu9 n GLY 81 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 4.01 0.09 1.61 3.72 0.76 -4.91 117.46 122.74 1bu9 n PHE 82 Ca 0.00 -4.13 -0.13 0.00 -0.05 0.00 0.00 57.45 53.14 1bu9 n PHE 82 Cb 0.00 -1.03 -0.08 0.00 -0.94 0.00 0.00 39.48 37.42 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 5.79 -0.22 -1.65 4.37 6.46 -1.92 0.21 115.31 128.35 1bu9 h LEU 83 Ca 0.16 -0.26 0.18 0.00 -0.12 0.00 0.00 57.88 57.85 1bu9 h LEU 83 Cb 0.79 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1bu9 h LEU 83 CO 0.85 0.17 0.72 0.44 -0.62 0.00 0.00 178.44 179.99 1bu9 h ASP 84 N -0.64 0.00 0.23 1.25 3.32 -1.93 3.08 116.42 121.74 1bu9 h ASP 84 Ca -0.03 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.71 1bu9 h ASP 84 Cb 0.46 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.05 1bu9 h ASP 84 CO 0.04 0.00 -1.37 0.74 -1.72 0.00 0.00 179.24 176.93 1bu9 h THR 85 N 0.00 1.30 0.00 0.35 2.02 -1.69 -2.32 112.91 112.58 1bu9 h THR 85 Ca 0.29 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.81 1bu9 h THR 85 Cb 1.72 3.06 -0.00 0.00 -1.74 0.00 0.00 68.15 71.19 1bu9 h THR 85 CO -0.00 0.79 -0.07 0.25 0.37 0.00 0.00 175.52 176.86 1bu9 h LEU 86 N 0.04 0.00 -0.28 2.58 6.46 0.81 -0.10 115.31 124.81 1bu9 h LEU 86 Ca -0.24 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.39 1bu9 h LEU 86 Cb 2.06 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.99 1bu9 h LEU 86 CO 0.24 0.07 -0.32 1.56 -0.62 0.00 0.00 178.44 179.37 1bu9 h GLN 87 N 0.00 0.72 0.35 1.25 4.20 0.22 -0.61 115.11 121.23 1bu9 h GLN 87 Ca -0.00 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 1bu9 h GLN 87 Cb 0.15 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1bu9 h GLN 87 CO 0.01 1.01 -0.43 1.15 -0.67 0.00 0.00 178.83 179.91 1bu9 h THR 88 N 0.46 0.00 -0.03 -0.54 2.02 -0.47 0.49 112.91 114.85 1bu9 h THR 88 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1bu9 h THR 88 Cb 0.90 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1bu9 h THR 88 CO 0.08 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.51 1bu9 h LEU 89 N -0.79 -1.22 -0.37 2.58 4.07 -1.40 1.29 115.31 119.47 1bu9 h LEU 89 Ca -0.04 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.13 1bu9 h LEU 89 Cb 0.71 0.47 -0.09 0.00 1.08 0.00 0.00 40.66 42.83 1bu9 h LEU 89 CO -0.10 -0.37 -0.36 0.25 -1.08 0.00 0.00 178.44 176.78 1bu9 h LEU 90 N -0.47 -1.19 -1.61 1.67 7.12 -0.96 1.11 115.31 120.98 1bu9 h LEU 90 Ca 0.01 0.19 0.16 0.00 0.13 0.00 0.00 57.88 58.38 1bu9 h LEU 90 Cb 0.51 0.54 -0.05 0.00 -0.53 0.00 0.00 40.66 41.13 1bu9 h LEU 90 CO -0.28 -0.34 0.52 -0.08 -0.13 0.00 0.00 178.44 178.13 1bu9 h GLU 91 N -0.30 0.35 -1.10 1.25 4.57 0.76 0.13 114.58 120.24 1bu9 h GLU 91 Ca 0.15 -0.02 -0.42 0.00 -1.18 0.00 0.00 59.36 57.90 1bu9 h GLU 91 Cb 0.56 -0.08 -0.22 0.00 -0.16 0.00 0.00 28.75 28.85 1bu9 h GLU 91 CO -0.53 0.23 0.53 1.19 -1.18 0.00 0.00 179.01 179.26 1bu9 n PHE 92 N -4.47 2.26 -3.56 0.92 3.72 0.44 -4.87 117.46 111.90 1bu9 n PHE 92 Ca 0.15 -1.83 -0.19 0.00 -0.05 0.00 0.00 57.45 55.53 1bu9 n PHE 92 Cb 0.59 -0.91 0.06 0.00 -0.94 0.00 0.00 39.48 38.28 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 -0.53 -5.92 -3.28 -1.08 1.13 0.44 -4.74 117.38 103.40 1bu9 n GLN 93 Ca 0.44 0.75 -0.43 0.00 -1.94 0.00 0.00 57.00 55.82 1bu9 n GLN 93 Cb 1.09 -5.57 -0.08 0.00 0.11 0.00 0.00 30.24 25.79 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 -3.49 3.41 -0.64 -1.58 0.00 0.73 -4.79 121.76 115.40 1bu9 s ALA 94 Ca 0.04 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 1bu9 s ALA 94 Cb -0.02 -3.10 -0.17 0.00 0.00 0.00 0.00 23.12 19.83 1bu9 s ALA 94 CO 0.77 -1.62 1.60 -0.25 0.00 0.00 0.00 175.76 176.25 1bu9 n ASP 95 N 5.74 -0.23 0.10 0.00 8.00 -1.26 -4.44 116.55 124.46 1bu9 n ASP 95 Ca -0.06 -0.06 0.20 0.00 0.71 0.00 0.00 54.79 55.58 1bu9 n ASP 95 Cb 0.47 -0.50 0.69 0.00 -0.02 0.00 0.00 41.12 41.76 1bu9 n ASP 95 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bu9 h VAL 96 N 4.87 0.23 -0.56 2.53 2.07 -1.97 2.03 116.25 125.45 1bu9 h VAL 96 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1bu9 h VAL 96 Cb 0.79 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1bu9 h VAL 96 CO 0.94 0.00 0.00 0.59 0.02 0.00 0.00 177.57 179.12 1bu9 n ASN 97 N -3.43 5.13 -4.60 0.57 3.02 -1.26 -4.66 115.26 110.03 1bu9 n ASN 97 Ca 0.08 -2.76 -0.43 0.00 -0.03 0.00 0.00 54.58 51.44 1bu9 n ASN 97 Cb 0.72 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1bu9 n ASN 97 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1bu9 s ILE 98 N -2.43 3.09 0.00 2.41 -1.16 0.69 -4.79 121.20 119.01 1bu9 s ILE 98 Ca 0.51 0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.74 1bu9 s ILE 98 Cb 0.37 -3.13 0.00 0.00 0.61 0.00 0.00 42.46 40.32 1bu9 s ILE 98 CO 0.18 -0.08 0.00 -0.62 -2.81 0.00 0.00 174.94 171.61 1bu9 n GLU 99 N 8.73 0.96 0.00 3.50 1.02 -1.26 -2.97 120.64 130.62 1bu9 n GLU 99 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 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 -0.08 0.00 -1.68 1.62 5.75 0.34 -3.71 116.55 118.80 1bu9 n ASP 100 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 1bu9 n ASP 100 Cb 0.00 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 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 3.42 0.00 -1.12 2.85 -0.44 -4.35 115.26 115.62 1bu9 n ASN 101 Ca 0.00 -2.89 0.00 0.00 -0.11 0.00 0.00 54.58 51.58 1bu9 n ASN 101 Cb 0.00 -0.69 0.00 0.00 1.24 0.00 0.00 39.78 40.33 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1bu9 n GLU 102 N -0.40 0.00 0.00 1.20 1.02 -1.26 -4.94 120.64 116.26 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 1.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.57 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 -1.45 0.44 3.70 0.62 0.00 -1.26 -3.79 105.19 103.46 1bu9 n GLY 103 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 6.53 0.57 1.61 -0.87 -1.26 -4.22 114.94 117.30 1bu9 s ASN 104 Ca 0.00 2.63 0.08 0.00 -1.57 0.00 0.00 52.86 54.00 1bu9 s ASN 104 Cb 0.00 -2.57 0.08 0.00 -0.02 0.00 0.00 41.25 38.74 1bu9 s ASN 104 CO 0.00 -0.92 0.79 -1.48 -2.57 0.00 0.00 177.10 172.93 1bu9 s LEU 105 N 2.23 3.16 0.53 0.60 2.34 -1.26 0.13 118.68 126.41 1bu9 s LEU 105 Ca 0.75 -0.72 0.30 0.00 0.06 0.00 0.00 54.13 54.52 1bu9 s LEU 105 Cb -0.43 -1.82 1.63 0.00 -0.56 0.00 0.00 46.19 45.01 1bu9 s LEU 105 CO 0.33 -1.34 1.90 1.55 -1.06 0.00 0.00 176.35 177.73 1bu9 h PRO 106 N 0.14 0.00 0.18 1.48 0.13 -1.80 -1.74 132.00 130.39 1bu9 h PRO 106 Ca -0.32 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.51 1bu9 h PRO 106 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1bu9 h PRO 106 CO 0.41 0.00 -1.37 1.25 -0.23 0.00 0.00 178.00 178.07 1bu9 h LEU 107 N 0.00 0.59 0.00 1.56 6.46 -1.89 -3.03 115.31 119.00 1bu9 h LEU 107 Ca 0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 1bu9 h LEU 107 Cb 0.29 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1bu9 h LEU 107 CO 0.00 1.51 0.00 1.41 -0.62 0.00 0.00 178.44 180.74 1bu9 n HIS 108 N -3.60 0.00 -0.37 1.25 8.25 -0.65 -0.38 115.22 119.72 1bu9 n HIS 108 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 1bu9 n HIS 108 Cb 1.06 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 32.04 1bu9 n HIS 108 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bu9 n LEU 109 N -0.93 -0.94 -0.49 2.41 4.32 -1.25 0.27 117.00 120.39 1bu9 n LEU 109 Ca 0.00 1.61 0.40 0.00 -0.02 0.00 0.00 56.01 58.01 1bu9 n LEU 109 Cb 0.00 -0.22 0.70 0.00 -1.62 0.00 0.00 43.42 42.28 1bu9 n LEU 109 CO 0.00 -1.30 1.30 0.00 -1.22 0.00 0.00 177.39 176.17 1bu9 h ALA 110 N 0.41 3.03 0.15 -1.18 0.00 -1.36 2.71 119.26 123.02 1bu9 h ALA 110 Ca 0.14 0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 1bu9 h ALA 110 Cb 0.36 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1bu9 h ALA 110 CO -0.83 -1.62 -1.50 0.00 0.00 0.00 0.00 179.25 175.30 1bu9 h ALA 111 N 1.44 0.15 0.19 0.00 0.00 0.68 0.48 119.26 122.20 1bu9 h ALA 111 Ca 0.82 -1.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1bu9 h ALA 111 Cb 2.82 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.84 1bu9 h ALA 111 CO -0.29 1.02 -0.21 -0.22 0.00 0.00 0.00 179.25 179.56 1bu9 h LYS 112 N 0.09 -0.38 -0.71 0.00 3.11 1.03 -2.16 116.57 117.55 1bu9 h LYS 112 Ca -0.24 0.03 0.16 0.00 -2.81 0.00 0.00 60.65 57.78 1bu9 h LYS 112 Cb 2.05 0.09 -0.11 0.00 -1.00 0.00 0.00 32.23 33.25 1bu9 h LYS 112 CO 0.19 -0.26 0.09 0.93 -2.81 0.00 0.00 179.45 177.60 1bu9 h GLU 113 N -0.40 0.18 0.00 1.90 4.39 -1.08 -3.45 114.58 116.12 1bu9 h GLU 113 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1bu9 h GLU 113 Cb 0.35 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1bu9 h GLU 113 CO -0.03 0.12 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 1bu9 n GLY 114 N -1.37 1.25 3.39 -3.84 0.00 -0.81 -4.97 105.19 98.84 1bu9 n GLY 114 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.74 0.00 1.61 8.25 0.17 -4.74 115.22 121.25 1bu9 n HIS 115 Ca 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 1bu9 n HIS 115 Cb 0.00 -1.27 0.00 0.00 1.12 0.00 0.00 29.99 29.84 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 9.73 0.00 -0.70 2.41 0.00 -1.26 0.86 117.00 128.05 1bu9 n LEU 116 Ca 0.47 0.59 0.53 0.00 0.00 0.00 0.00 56.01 57.60 1bu9 n LEU 116 Cb 0.42 -0.09 0.81 0.00 0.00 0.00 0.00 43.42 44.56 1bu9 n LEU 116 CO 1.08 -0.09 1.48 -2.11 0.00 0.00 0.00 177.39 177.76 1bu9 n ARG 117 N -1.03 0.00 0.00 1.96 -4.01 -1.26 0.20 116.66 112.53 1bu9 n ARG 117 Ca 0.00 1.08 0.00 0.00 -1.04 0.00 0.00 57.85 57.89 1bu9 n ARG 117 Cb 0.00 -2.51 0.00 0.00 -3.04 0.00 0.00 32.46 26.91 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1bu9 n VAL 118 N -3.89 0.00 -0.05 8.89 0.31 -0.31 -2.15 118.33 121.12 1bu9 n VAL 118 Ca 0.44 0.81 0.23 0.00 -0.01 0.00 0.00 64.34 65.81 1bu9 n VAL 118 Cb 2.01 -1.73 0.71 0.00 -0.91 0.00 0.00 33.84 33.92 1bu9 n VAL 118 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1bu9 h VAL 119 N 0.00 0.64 -0.02 2.52 2.07 0.24 1.28 116.25 122.98 1bu9 h VAL 119 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1bu9 h VAL 119 Cb 0.00 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1bu9 h VAL 119 CO 0.00 0.00 0.01 -0.08 0.02 0.00 0.00 177.57 177.52 1bu9 h GLU 120 N 0.00 0.00 -0.02 1.57 4.22 0.23 -1.95 114.58 118.64 1bu9 h GLU 120 Ca 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 1bu9 h GLU 120 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1bu9 h GLU 120 CO -0.00 0.00 -0.01 0.35 -2.18 0.00 0.00 179.01 177.16 1bu9 h PHE 121 N 0.00 0.04 -0.43 0.92 3.04 0.22 -2.52 116.94 118.21 1bu9 h PHE 121 Ca 0.01 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.03 1bu9 h PHE 121 Cb 0.04 -0.01 -0.10 0.00 2.56 0.00 0.00 35.95 38.44 1bu9 h PHE 121 CO 0.00 0.48 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.39 1bu9 h LEU 122 N -0.40 -1.03 -2.87 0.59 -0.00 -1.28 1.09 115.31 111.40 1bu9 h LEU 122 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1bu9 h LEU 122 Cb 0.47 0.50 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1bu9 h LEU 122 CO 0.00 -0.31 0.00 1.62 -0.00 0.00 0.00 178.44 179.76 1bu9 h VAL 123 N -0.22 0.00 -1.88 1.22 3.04 -1.48 -3.18 116.25 113.75 1bu9 h VAL 123 Ca 0.19 -0.02 -0.52 0.00 -1.01 0.00 0.00 66.70 65.34 1bu9 h VAL 123 Cb 0.53 0.99 -0.06 0.00 -2.01 0.00 0.00 31.29 30.74 1bu9 h VAL 123 CO -0.56 0.00 -0.50 -0.75 -1.01 0.00 0.00 177.57 174.75 1bu9 s LYS 124 N -4.10 2.52 0.00 4.17 2.20 0.37 -4.53 119.74 120.37 1bu9 s LYS 124 Ca -0.05 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 1bu9 s LYS 124 Cb 0.13 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1bu9 s LYS 124 CO 0.40 0.11 0.00 0.72 -0.36 0.00 0.00 175.35 176.23 1bu9 n HIS 125 N -1.23 0.00 -1.86 4.03 8.25 -1.26 -4.76 115.22 118.38 1bu9 n HIS 125 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1bu9 n HIS 125 Cb 0.61 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.80 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 1.42 1.59 -2.24 -1.26 -4.94 114.28 108.85 1bu9 n THR 126 Ca 0.00 -0.61 0.07 0.00 -2.27 0.00 0.00 64.05 61.24 1bu9 n THR 126 Cb 0.00 -1.50 0.28 0.00 -2.10 0.00 0.00 70.33 67.01 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 -3.23 2.51 -1.18 6.98 0.00 -1.26 -4.87 120.51 119.47 1bu9 n ALA 127 Ca -0.10 -0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.10 1bu9 n ALA 127 Cb 0.29 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 0.01 -5.94 -4.10 0.00 7.64 -1.20 -4.66 113.62 105.38 1bu9 n SER 128 Ca 0.12 0.83 -0.36 0.00 1.01 0.00 0.00 58.87 60.47 1bu9 n SER 128 Cb 0.21 -3.84 -0.11 0.00 -1.01 0.00 0.00 64.21 59.46 1bu9 n SER 128 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1bu9 s ASN 129 N -6.17 5.18 0.02 6.43 2.20 -1.26 -4.95 114.94 116.39 1bu9 s ASN 129 Ca 0.00 -2.45 -0.25 0.00 -0.94 0.00 0.00 52.86 49.22 1bu9 s ASN 129 Cb 0.00 -1.82 -0.18 0.00 -2.00 0.00 0.00 41.25 37.24 1bu9 s ASN 129 CO 0.00 -0.45 1.45 -0.37 -2.94 0.00 0.00 177.10 174.79 1bu9 h VAL 130 N 5.84 1.25 0.28 3.54 -1.51 -1.83 -3.28 116.25 120.54 1bu9 h VAL 130 Ca -0.07 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 64.66 1bu9 h VAL 130 Cb 1.00 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1bu9 h VAL 130 CO 0.70 0.19 -0.13 1.23 -1.23 0.00 0.00 177.57 178.33 1bu9 h GLY 131 N -0.29 -0.39 -3.04 5.19 0.00 -1.92 -3.35 103.07 99.27 1bu9 h GLY 131 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1bu9 h GLY 131 CO 0.00 -0.14 -0.10 1.57 0.00 0.00 0.00 176.54 177.87 1bu9 n HIS 132 N -5.02 -1.23 -2.02 5.60 -0.00 -1.24 -4.46 115.22 106.84 1bu9 n HIS 132 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.23 1bu9 n HIS 132 Cb 0.20 -1.60 -0.03 0.00 -0.00 0.00 0.00 29.99 28.57 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 -3.57 3.43 0.00 1.57 0.52 -1.26 -3.82 118.95 115.82 1bu9 s ARG 133 Ca 0.00 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1bu9 s ARG 133 Cb 0.00 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 31.30 1bu9 s ARG 133 CO 0.00 -1.75 0.00 0.27 0.02 0.00 0.00 175.30 173.84 1bu9 n ASN 134 N 9.91 0.00 0.07 0.23 6.94 -1.21 -4.40 115.26 126.81 1bu9 n ASN 134 Ca 0.22 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.66 1bu9 n ASN 134 Cb 0.46 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.82 1bu9 n ASN 134 CO 0.00 0.00 0.00 -0.74 -1.03 0.00 0.00 177.26 175.49 1bu9 h HIS 135 N 0.00 -0.12 0.22 -2.53 2.76 -1.77 -3.02 115.15 110.68 1bu9 h HIS 135 Ca 0.00 -0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.87 1bu9 h HIS 135 Cb 0.00 0.05 0.03 0.00 1.55 0.00 0.00 27.41 29.04 1bu9 h HIS 135 CO 0.00 -0.08 -1.35 0.87 -1.30 0.00 0.00 177.93 176.07 1bu9 h LYS 136 N -0.12 0.46 0.00 5.26 1.57 -1.90 -3.48 116.57 118.36 1bu9 h LYS 136 Ca -0.00 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 1bu9 h LYS 136 Cb 0.11 0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1bu9 h LYS 136 CO -0.00 1.37 0.00 0.41 -0.57 0.00 0.00 179.45 180.66 1bu9 n GLY 137 N 1.72 0.14 3.56 3.86 0.00 -1.14 -5.04 105.19 108.29 1bu9 n GLY 137 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1bu9 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 138 N 0.00 2.47 -2.68 1.61 8.00 -1.26 -3.70 116.55 121.00 1bu9 n ASP 138 Ca 0.00 -0.27 -0.08 0.00 0.71 0.00 0.00 54.79 55.15 1bu9 n ASP 138 Cb 0.00 -1.54 0.06 0.00 -0.02 0.00 0.00 41.12 39.62 1bu9 n ASP 138 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bu9 n THR 139 N 7.90 0.00 0.59 -3.53 -2.24 -1.25 -3.32 114.28 112.43 1bu9 n THR 139 Ca 0.37 -0.20 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1bu9 n THR 139 Cb 0.49 -1.42 0.28 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.39 1.85 -0.12 6.98 0.00 -1.26 -2.13 120.51 122.44 1bu9 n ALA 140 Ca -0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1bu9 n ALA 140 Cb 0.16 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 1bu9 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bu9 h ASP 142 N -1.00 0.00 0.00 0.00 3.32 -1.67 0.81 116.42 117.88 1bu9 h ASP 142 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1bu9 h ASP 142 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1bu9 h ASP 142 CO -0.31 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.39 1bu9 n LEU 143 N -3.00 0.90 0.29 1.55 4.77 -0.91 -2.80 117.00 117.79 1bu9 n LEU 143 Ca -0.01 0.20 0.14 0.00 -0.03 0.00 0.00 56.01 56.31 1bu9 n LEU 143 Cb 0.44 -0.29 0.74 0.00 -2.33 0.00 0.00 43.42 41.98 1bu9 n LEU 143 CO 0.15 -0.29 1.04 0.00 -1.33 0.00 0.00 177.39 176.97 1bu9 h ALA 144 N -2.00 1.26 0.02 -1.18 0.00 -1.32 -1.06 119.26 114.97 1bu9 h ALA 144 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bu9 h ALA 144 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bu9 h ALA 144 CO 0.00 -0.26 -0.14 -0.09 0.00 0.00 0.00 179.25 178.76 1bu9 h ARG 145 N 0.00 0.07 0.01 0.00 2.43 0.49 -2.64 114.38 114.74 1bu9 h ARG 145 Ca 0.00 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1bu9 h ARG 145 Cb 0.56 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1bu9 h ARG 145 CO 0.00 0.97 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.36 1bu9 h LEU 146 N -0.79 -0.01 0.27 3.80 4.07 -1.07 -3.33 115.31 118.26 1bu9 h LEU 146 Ca -0.02 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1bu9 h LEU 146 Cb 1.03 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.74 1bu9 h LEU 146 CO 0.03 0.56 -0.51 1.88 -1.08 0.00 0.00 178.44 179.31 1bu9 h TYR 147 N -0.57 -1.47 0.00 1.13 0.05 -1.45 -3.47 116.97 111.20 1bu9 h TYR 147 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1bu9 h TYR 147 Cb 0.56 0.60 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1bu9 h TYR 147 CO 0.12 -0.62 0.00 0.41 -1.05 0.00 0.00 178.16 177.02 1bu9 n GLY 148 N -1.51 1.77 3.44 3.88 0.00 -1.14 -5.10 105.19 106.54 1bu9 n GLY 148 Ca -0.10 -0.16 -0.48 0.00 0.00 0.00 0.00 46.02 45.28 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 0.81 -0.11 1.61 5.12 -1.01 -4.80 116.66 118.27 1bu9 n ARG 149 Ca 0.00 0.18 -0.23 0.00 -1.93 0.00 0.00 57.85 55.87 1bu9 n ARG 149 Cb 0.00 -2.35 -0.10 0.00 -1.16 0.00 0.00 32.46 28.85 1bu9 n ARG 149 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bu9 n ASN 150 N 10.46 1.89 -0.25 0.55 6.94 -1.26 -2.54 115.26 131.05 1bu9 n ASN 150 Ca 0.46 0.40 0.32 0.00 -0.02 0.00 0.00 54.58 55.74 1bu9 n ASN 150 Cb 0.21 -0.90 0.71 0.00 -2.36 0.00 0.00 39.78 37.44 1bu9 n ASN 150 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1bu9 h GLU 151 N -1.00 0.00 0.20 -3.83 4.11 -1.94 2.67 114.58 114.79 1bu9 h GLU 151 Ca -0.44 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.69 1bu9 h GLU 151 Cb 1.35 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.63 1bu9 h GLU 151 CO -0.27 0.00 -1.31 0.28 0.07 0.00 0.00 179.01 177.78 1bu9 h VAL 152 N 0.00 1.31 0.57 -1.06 2.07 -1.91 -1.62 116.25 115.61 1bu9 h VAL 152 Ca 0.50 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 1bu9 h VAL 152 Cb 2.25 2.96 0.01 0.00 -1.52 0.00 0.00 31.29 34.99 1bu9 h VAL 152 CO -0.01 0.78 -0.27 0.58 0.02 0.00 0.00 177.57 178.67 1bu9 h VAL 153 N 0.11 0.00 -0.99 2.57 2.07 0.45 -2.77 116.25 117.69 1bu9 h VAL 153 Ca -0.22 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 67.42 1bu9 h VAL 153 Cb 2.02 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 1bu9 h VAL 153 CO 0.25 0.00 0.62 0.28 0.02 0.00 0.00 177.57 178.74 1bu9 h SER 154 N -0.85 0.65 -0.77 0.57 0.02 0.52 0.96 113.55 114.64 1bu9 h SER 154 Ca -0.08 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 1bu9 h SER 154 Cb 0.58 -0.03 -0.15 0.00 0.14 0.00 0.00 62.40 62.95 1bu9 h SER 154 CO 0.13 0.21 -0.17 0.25 -1.14 0.00 0.00 176.83 176.11 1bu9 h LEU 155 N 0.62 -0.68 0.00 5.07 7.12 -1.00 1.50 115.31 127.94 1bu9 h LEU 155 Ca 0.57 0.23 -0.16 0.00 0.13 0.00 0.00 57.88 58.64 1bu9 h LEU 155 Cb 1.08 0.47 -0.02 0.00 -0.53 0.00 0.00 40.66 41.65 1bu9 h LEU 155 CO -0.33 -0.25 -1.12 0.23 -0.13 0.00 0.00 178.44 176.84 1bu9 n MET 156 N -5.49 0.53 -0.20 1.25 2.81 0.27 -2.57 117.12 113.71 1bu9 n MET 156 Ca 0.11 0.51 0.01 0.00 -1.81 0.00 0.00 57.70 56.52 1bu9 n MET 156 Cb 0.41 -1.68 0.11 0.00 -0.71 0.00 0.00 33.22 31.34 1bu9 n MET 156 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1bu9 h GLN 157 N -1.00 0.14 -0.36 0.03 4.20 0.96 0.23 115.11 119.31 1bu9 h GLN 157 Ca -0.25 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.33 1bu9 h GLN 157 Cb 1.05 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1bu9 h GLN 157 CO -0.15 0.09 -0.28 0.00 -0.67 0.00 0.00 178.83 177.82 1bu9 h ALA 158 N 1.55 0.83 0.00 3.87 0.00 0.20 -2.97 119.26 122.74 1bu9 h ALA 158 Ca 0.33 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bu9 h ALA 158 Cb 0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bu9 h ALA 158 CO -0.51 0.64 -0.00 0.09 0.00 0.00 0.00 179.25 179.47 1bu9 n ASN 159 N -4.09 5.27 -4.07 0.00 5.03 0.68 -4.79 115.26 113.28 1bu9 n ASN 159 Ca -0.01 -2.39 -0.46 0.00 0.87 0.00 0.00 54.58 52.59 1bu9 n ASN 159 Cb 0.46 -1.11 0.02 0.00 -1.02 0.00 0.00 39.78 38.13 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 1.51 -0.86 0.40 7.41 0.00 -1.06 -4.81 105.19 107.78 1bu9 n GLY 160 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.95 1.81 0.12 4.61 0.00 -0.38 -4.69 120.51 117.03 1bu9 n ALA 161 Ca -0.12 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 52.99 1bu9 n ALA 161 Cb 0.57 -0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bu9 h GLY 162 N 0.00 0.56 -4.38 0.00 0.00 -1.68 -3.41 103.07 94.15 1bu9 h GLY 162 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 47.33 45.91 1bu9 h GLY 162 CO 0.00 1.24 -0.43 0.61 0.00 0.00 0.00 176.54 177.96 1bu9 n GLY 163 N 1.77 -2.15 3.02 4.60 0.00 -1.26 -4.55 105.19 106.62 1bu9 n GLY 163 Ca -0.20 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1bu9 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 164 N -1.60 -1.65 -0.24 4.61 0.00 -1.26 -4.91 121.76 116.71 1bu9 s ALA 164 Ca 0.09 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.36 1bu9 s ALA 164 Cb -0.03 -1.98 0.51 0.00 0.00 0.00 0.00 23.12 21.62 1bu9 s ALA 164 CO 0.48 -1.40 1.44 0.25 0.00 0.00 0.00 175.76 176.54 1bu9 n THR 165 N 5.39 2.42 -0.31 0.00 -2.24 -1.26 -4.69 114.28 113.60 1bu9 n THR 165 Ca -0.01 -2.33 0.11 0.00 -2.27 0.00 0.00 64.05 59.55 1bu9 n THR 165 Cb 0.51 -0.29 0.34 0.00 -2.10 0.00 0.00 70.33 68.78 1bu9 n THR 165 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bu9 h ASN 166 N 1.30 0.74 -4.13 3.42 -1.07 -2.05 -3.40 115.58 110.39 1bu9 h ASN 166 Ca 0.13 0.05 -0.69 0.00 0.07 0.00 0.00 56.30 55.86 1bu9 h ASN 166 Cb 1.57 -0.09 -0.24 0.00 -2.07 0.00 0.00 38.32 37.48 1bu9 h ASN 166 CO 0.32 0.36 -0.86 -0.22 0.07 0.00 0.00 177.43 177.09 1bu9 s LEU 167 N -9.98 2.29 0.00 6.14 0.20 -1.26 -5.36 118.68 110.70 1bu9 s LEU 167 Ca -0.11 -0.61 0.00 0.00 0.69 0.00 0.00 54.13 54.10 1bu9 s LEU 167 Cb 0.23 -1.31 0.00 0.00 -0.43 0.00 0.00 46.19 44.68 1bu9 s LEU 167 CO 0.80 0.23 0.46 0.00 -0.29 0.00 0.00 176.35 177.55