#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 5.67 -3.49 3.04 0.00 -1.26 -4.86 120.51 119.61 1bu9 n ALA 2 Ca 0.00 -4.31 -0.28 0.00 0.00 0.00 0.00 53.44 48.85 1bu9 n ALA 2 Cb 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 1bu9 n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bu9 s GLU 3 N -3.80 0.95 -0.07 0.00 2.02 -1.26 -5.10 118.70 111.43 1bu9 s GLU 3 Ca 0.49 -1.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.24 1bu9 s GLU 3 Cb 0.39 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.96 1bu9 s GLU 3 CO -0.27 -1.30 1.26 -1.25 0.02 0.00 0.00 175.26 173.72 1bu9 s PRO 4 N 0.30 4.31 2.32 0.39 0.04 -1.26 -4.82 135.00 136.27 1bu9 s PRO 4 Ca 0.26 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1bu9 s PRO 4 Cb -0.08 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1bu9 s PRO 4 CO -0.11 -0.54 0.00 1.87 0.04 0.00 0.00 177.00 178.26 1bu9 n TRP 5 N 5.63 -0.16 0.00 0.56 -0.00 -1.26 -4.41 117.44 117.81 1bu9 n TRP 5 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 1bu9 n TRP 5 Cb 0.45 0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bu9 n GLY 6 N 0.00 2.11 0.00 5.87 0.00 -1.26 -3.93 105.19 107.99 1bu9 n GLY 6 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 7.42 0.00 -0.37 1.61 2.85 -1.26 -0.51 115.26 125.00 1bu9 n ASN 7 Ca 0.00 0.91 -0.06 0.00 -0.11 0.00 0.00 54.58 55.32 1bu9 n ASN 7 Cb 0.00 -0.41 -0.03 0.00 1.24 0.00 0.00 39.78 40.58 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1bu9 n GLU 8 N -2.02 -0.31 0.00 1.20 4.71 -1.25 0.18 120.64 123.14 1bu9 n GLU 8 Ca 0.00 1.39 0.00 0.00 -0.01 0.00 0.00 57.16 58.54 1bu9 n GLU 8 Cb 0.00 -2.05 0.00 0.00 -1.01 0.00 0.00 31.44 28.38 1bu9 n GLU 8 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1bu9 n LEU 9 N -5.23 0.36 -0.32 -4.62 7.99 -1.15 -1.56 117.00 112.47 1bu9 n LEU 9 Ca 0.05 0.49 0.34 0.00 -0.01 0.00 0.00 56.01 56.89 1bu9 n LEU 9 Cb 0.30 -0.06 0.60 0.00 -0.11 0.00 0.00 43.42 44.15 1bu9 n LEU 9 CO -0.14 -0.06 1.32 0.00 -1.51 0.00 0.00 177.39 177.00 1bu9 h ALA 10 N -2.00 3.13 -3.00 -1.18 0.00 -0.66 0.89 119.26 116.44 1bu9 h ALA 10 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bu9 h ALA 10 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bu9 h ALA 10 CO 0.00 -1.78 0.00 0.45 0.00 0.00 0.00 179.25 177.92 1bu9 n SER 11 N -3.56 0.00 -0.16 0.00 2.88 0.49 -0.67 113.62 112.60 1bu9 n SER 11 Ca 0.27 0.22 -0.04 0.00 -1.33 0.00 0.00 58.87 57.98 1bu9 n SER 11 Cb 1.53 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 65.04 1bu9 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bu9 h ALA 12 N -2.00 0.62 -0.12 -1.46 0.00 -0.73 0.31 119.26 115.89 1bu9 h ALA 12 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1bu9 h ALA 12 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1bu9 h ALA 12 CO 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 179.25 178.96 1bu9 h ALA 13 N 1.27 -0.11 -0.23 0.00 0.00 0.65 0.18 119.26 121.03 1bu9 h ALA 13 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bu9 h ALA 13 Cb 0.14 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bu9 h ALA 13 CO -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.46 1bu9 n ALA 14 N -2.59 2.74 0.13 0.00 0.00 0.15 0.24 120.51 121.19 1bu9 n ALA 14 Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.85 1bu9 n ALA 14 Cb 0.23 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 0.25 0.54 0.00 0.00 5.12 0.11 -4.52 116.66 118.15 1bu9 n ARG 15 Ca 0.09 -1.04 0.00 0.00 -1.93 0.00 0.00 57.85 54.97 1bu9 n ARG 15 Cb 0.42 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 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 0.20 2.18 3.54 -0.13 0.00 -0.70 -4.97 105.19 105.31 1bu9 n GLY 16 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1bu9 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 17 N 0.00 1.65 0.05 1.61 9.92 0.42 -4.80 116.55 125.40 1bu9 n ASP 17 Ca 0.00 -0.52 -0.03 0.00 -0.53 0.00 0.00 54.79 53.71 1bu9 n ASP 17 Cb 0.00 -1.41 -0.01 0.00 -0.64 0.00 0.00 41.12 39.05 1bu9 n ASP 17 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1bu9 h LEU 18 N 18.14 -0.17 -0.43 0.64 7.12 -1.93 -3.28 115.31 135.39 1bu9 h LEU 18 Ca -0.15 0.01 0.05 0.00 0.13 0.00 0.00 57.88 57.92 1bu9 h LEU 18 Cb 1.23 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 41.36 1bu9 h LEU 18 CO 1.21 0.21 0.16 -0.33 -0.13 0.00 0.00 178.44 179.56 1bu9 h GLU 19 N -0.88 0.32 -0.98 1.25 5.08 -1.98 -1.42 114.58 115.97 1bu9 h GLU 19 Ca -0.02 -0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.65 1bu9 h GLU 19 Cb 0.16 -0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.17 1bu9 h GLU 19 CO 0.03 0.21 0.42 0.37 -1.00 0.00 0.00 179.01 179.05 1bu9 h GLN 20 N 0.33 0.15 0.09 2.33 5.75 -1.96 0.77 115.11 122.57 1bu9 h GLN 20 Ca 0.20 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1bu9 h GLN 20 Cb 0.19 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1bu9 h GLN 20 CO -0.20 0.10 -0.05 -0.07 -2.65 0.00 0.00 178.83 175.96 1bu9 h LEU 21 N 0.15 -0.11 0.15 -2.39 3.38 -1.32 -1.73 115.31 113.44 1bu9 h LEU 21 Ca 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1bu9 h LEU 21 Cb 1.71 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 1bu9 h LEU 21 CO -0.72 0.08 -0.29 0.74 0.09 0.00 0.00 178.44 178.34 1bu9 h THR 22 N -0.29 0.00 -0.84 0.22 2.02 0.63 1.06 112.91 115.71 1bu9 h THR 22 Ca -0.01 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.35 1bu9 h THR 22 Cb 0.24 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.50 1bu9 h THR 22 CO 0.02 0.00 -0.15 -1.28 0.37 0.00 0.00 175.52 174.48 1bu9 h SER 23 N -0.48 -0.68 -0.37 4.18 0.87 -1.05 0.59 113.55 116.61 1bu9 h SER 23 Ca -0.02 0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 1bu9 h SER 23 Cb 0.45 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1bu9 h SER 23 CO -0.11 -0.27 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.69 1bu9 h LEU 24 N 0.02 0.84 0.47 2.23 4.07 -0.63 -2.37 115.31 119.94 1bu9 h LEU 24 Ca 0.42 -0.28 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1bu9 h LEU 24 Cb 0.69 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1bu9 h LEU 24 CO -0.84 1.00 -0.23 0.25 -1.08 0.00 0.00 178.44 177.55 1bu9 h LEU 25 N 0.75 -0.53 -2.18 1.67 5.85 0.61 0.68 115.31 122.16 1bu9 h LEU 25 Ca 0.11 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1bu9 h LEU 25 Cb 0.67 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1bu9 h LEU 25 CO 0.05 -0.21 0.28 0.06 -0.34 0.00 0.00 178.44 178.27 1bu9 h GLN 26 N -0.87 0.00 0.00 1.25 3.07 -0.37 -2.96 115.11 115.24 1bu9 h GLN 26 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1bu9 h GLN 26 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1bu9 h GLN 26 CO 0.11 0.00 -0.15 -0.97 0.09 0.00 0.00 178.83 177.91 1bu9 h ASN 27 N 0.00 0.00 -2.37 0.06 -1.24 -0.83 -3.51 115.58 107.70 1bu9 h ASN 27 Ca 0.04 0.00 0.16 0.00 0.71 0.00 0.00 56.30 57.21 1bu9 h ASN 27 Cb 0.60 0.00 -0.31 0.00 0.73 0.00 0.00 38.32 39.33 1bu9 h ASN 27 CO -0.00 0.23 0.77 0.21 -1.29 0.00 0.00 177.43 177.35 1bu9 s ASN 28 N -4.18 -0.15 -0.29 1.15 3.84 0.23 -5.09 114.94 110.46 1bu9 s ASN 28 Ca -0.04 0.28 -0.15 0.00 0.21 0.00 0.00 52.86 53.16 1bu9 s ASN 28 Cb 0.01 0.35 0.11 0.00 -0.55 0.00 0.00 41.25 41.17 1bu9 s ASN 28 CO 0.06 -0.05 0.78 0.68 -2.79 0.00 0.00 177.10 175.79 1bu9 s VAL 29 N 0.16 -0.25 -0.94 -5.21 -7.23 -1.26 -4.53 120.40 101.15 1bu9 s VAL 29 Ca 0.05 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 1bu9 s VAL 29 Cb -0.05 -1.00 -0.15 0.00 0.56 0.00 0.00 36.38 35.74 1bu9 s VAL 29 CO -0.13 0.00 2.21 0.20 -0.31 0.00 0.00 175.10 177.06 1bu9 s ASN 30 N 1.89 3.99 0.52 4.85 0.02 -1.26 -4.72 114.94 120.24 1bu9 s ASN 30 Ca -0.08 -0.55 0.32 0.00 -1.02 0.00 0.00 52.86 51.52 1bu9 s ASN 30 Cb -0.06 -2.57 1.09 0.00 0.02 0.00 0.00 41.25 39.73 1bu9 s ASN 30 CO -0.18 -3.97 1.24 0.55 0.02 0.00 0.00 177.10 174.76 1bu9 n VAL 31 N 8.67 0.00 -1.08 1.60 3.14 -1.26 0.16 118.33 129.56 1bu9 n VAL 31 Ca 0.44 1.20 0.06 0.00 -2.96 0.00 0.00 64.34 63.08 1bu9 n VAL 31 Cb 0.45 -2.08 0.08 0.00 -1.06 0.00 0.00 33.84 31.24 1bu9 n VAL 31 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1bu9 n ASN 32 N -3.28 1.73 -3.61 6.55 5.03 -1.26 -4.57 115.26 115.84 1bu9 n ASN 32 Ca 0.28 -2.61 -0.18 0.00 0.87 0.00 0.00 54.58 52.94 1bu9 n ASN 32 Cb 1.53 -0.30 0.15 0.00 -1.02 0.00 0.00 39.78 40.14 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 -0.95 -0.76 -3.11 5.41 0.00 0.42 -4.98 120.51 116.54 1bu9 n ALA 33 Ca 0.10 -1.03 0.05 0.00 0.00 0.00 0.00 53.44 52.56 1bu9 n ALA 33 Cb 0.59 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1bu9 n ALA 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1bu9 s GLN 34 N -3.45 0.15 1.14 0.00 0.74 -1.26 -4.35 119.66 112.63 1bu9 s GLN 34 Ca 0.36 0.11 -0.18 0.00 0.05 0.00 0.00 55.36 55.70 1bu9 s GLN 34 Cb -0.06 0.06 0.14 0.00 1.10 0.00 0.00 33.01 34.25 1bu9 s GLN 34 CO 0.34 -0.27 0.14 -1.71 -0.55 0.00 0.00 175.29 173.24 1bu9 n ASN 35 N 4.94 -2.33 0.28 6.67 5.15 -0.94 -4.47 115.26 124.57 1bu9 n ASN 35 Ca 0.09 -0.16 0.14 0.00 -0.60 0.00 0.00 54.58 54.06 1bu9 n ASN 35 Cb 0.58 -0.99 0.69 0.00 -0.53 0.00 0.00 39.78 39.53 1bu9 n ASN 35 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1bu9 h GLY 36 N -2.20 0.00 2.00 8.20 0.00 -2.02 1.41 103.07 110.46 1bu9 h GLY 36 Ca -0.55 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1bu9 h GLY 36 CO 0.40 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 174.18 1bu9 h PHE 37 N 0.00 0.00 -1.79 5.60 3.04 -2.05 -3.45 116.94 118.29 1bu9 h PHE 37 Ca 0.04 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1bu9 h PHE 37 Cb 0.97 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.50 1bu9 h PHE 37 CO 0.00 0.01 -0.08 0.41 -2.02 0.00 0.00 178.31 176.63 1bu9 n GLY 38 N -0.67 0.66 3.26 2.40 0.00 0.48 -4.47 105.19 106.85 1bu9 n GLY 38 Ca -0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1bu9 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bu9 s ARG 39 N -4.84 0.76 0.14 1.61 1.04 -1.25 -4.32 118.95 112.09 1bu9 s ARG 39 Ca 0.04 -0.33 0.06 0.00 -1.04 0.00 0.00 55.73 54.46 1bu9 s ARG 39 Cb -0.02 0.33 -0.04 0.00 -2.04 0.00 0.00 34.95 33.18 1bu9 s ARG 39 CO 0.08 -0.23 -0.14 -0.08 -0.04 0.00 0.00 175.30 174.89 1bu9 s THR 40 N -1.93 1.37 0.55 4.99 -1.32 -1.26 -2.21 115.64 115.82 1bu9 s THR 40 Ca -0.09 -1.84 0.45 0.00 -1.21 0.00 0.00 61.69 58.99 1bu9 s THR 40 Cb -0.03 -1.66 0.66 0.00 -1.51 0.00 0.00 72.50 69.97 1bu9 s THR 40 CO 0.01 -0.49 1.67 0.00 -2.21 0.00 0.00 174.62 173.59 1bu9 h ALA 41 N 3.27 3.55 0.00 11.08 0.00 -1.86 2.54 119.26 137.84 1bu9 h ALA 41 Ca -0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1bu9 h ALA 41 Cb 1.20 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bu9 h ALA 41 CO 0.54 -2.03 -0.11 1.25 0.00 0.00 0.00 179.25 178.90 1bu9 h LEU 42 N 0.00 0.00 0.00 0.00 7.12 -1.93 1.94 115.31 122.44 1bu9 h LEU 42 Ca 0.79 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.69 1bu9 h LEU 42 Cb 3.16 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 43.27 1bu9 h LEU 42 CO -0.02 0.11 -0.74 -0.61 -0.13 0.00 0.00 178.44 177.05 1bu9 h GLN 43 N 0.00 0.00 -0.22 1.25 4.15 0.40 -3.39 115.11 117.30 1bu9 h GLN 43 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 1bu9 h GLN 43 Cb 0.22 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1bu9 h GLN 43 CO 0.01 0.66 -0.20 -0.39 -1.93 0.00 0.00 178.83 176.99 1bu9 h VAL 44 N -1.00 1.32 0.00 2.39 -1.51 -1.26 -3.45 116.25 112.74 1bu9 h VAL 44 Ca -0.17 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 63.96 1bu9 h VAL 44 Cb 0.94 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1bu9 h VAL 44 CO -0.10 0.41 0.00 1.15 -1.23 0.00 0.00 177.57 177.80 1bu9 n MET 45 N -4.43 0.00 -1.51 5.19 0.00 0.66 -4.05 117.12 112.98 1bu9 n MET 45 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.38 1bu9 n MET 45 Cb 0.40 0.00 -0.19 0.00 0.00 0.00 0.00 33.22 33.43 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 0.16 0.07 0.31 3.17 3.00 0.67 -4.63 118.16 120.92 1bu9 n LYS 46 Ca 0.00 -0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.37 1bu9 n LYS 46 Cb 0.00 -1.41 0.63 0.00 0.00 0.00 0.00 35.03 34.25 1bu9 n LYS 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1bu9 h LEU 47 N 12.36 0.00 -0.40 3.14 3.38 -1.88 -1.23 115.31 130.68 1bu9 h LEU 47 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1bu9 h LEU 47 Cb 1.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 1bu9 h LEU 47 CO 1.50 0.00 -0.49 1.23 0.09 0.00 0.00 178.44 180.77 1bu9 h GLY 48 N 0.00 -1.12 -5.12 0.83 0.00 -1.95 -3.30 103.07 92.41 1bu9 h GLY 48 Ca 0.00 0.74 -0.58 0.00 0.00 0.00 0.00 47.33 47.49 1bu9 h GLY 48 CO 0.00 -0.18 -0.12 0.54 0.00 0.00 0.00 176.54 176.78 1bu9 s ASN 49 N -4.81 6.83 0.17 0.19 2.20 -0.46 -4.92 114.94 114.14 1bu9 s ASN 49 Ca -0.12 0.99 0.23 0.00 -0.94 0.00 0.00 52.86 53.01 1bu9 s ASN 49 Cb 0.08 -2.30 -0.00 0.00 -2.00 0.00 0.00 41.25 37.02 1bu9 s ASN 49 CO 0.54 0.15 1.01 -0.81 -2.94 0.00 0.00 177.10 175.05 1bu9 n PRO 50 N 2.69 0.57 0.25 3.55 -0.04 -1.24 -3.45 135.00 137.33 1bu9 n PRO 50 Ca -0.09 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1bu9 n PRO 50 Cb 0.52 -1.78 0.61 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.55 0.54 4.11 -1.91 -3.05 114.58 113.71 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 0.97 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1bu9 h GLU 51 CO 0.00 0.12 -0.39 0.82 0.07 0.00 0.00 179.01 179.62 1bu9 h ILE 52 N 0.00 0.00 -0.26 -1.06 1.08 -1.86 1.04 117.51 116.45 1bu9 h ILE 52 Ca -0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1bu9 h ILE 52 Cb 0.58 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 1bu9 h ILE 52 CO 0.02 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 177.63 1bu9 h ALA 53 N -0.13 0.32 -0.75 1.87 0.00 -1.78 -2.68 119.26 116.12 1bu9 h ALA 53 Ca 0.09 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1bu9 h ALA 53 Cb 0.32 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1bu9 h ALA 53 CO -0.56 -0.22 -0.51 -0.09 0.00 0.00 0.00 179.25 177.86 1bu9 h ARG 54 N 0.33 -0.15 -1.22 0.00 2.43 -0.12 2.37 114.38 118.01 1bu9 h ARG 54 Ca 0.10 0.01 0.41 0.00 -0.81 0.00 0.00 59.98 59.69 1bu9 h ARG 54 Cb -0.02 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.43 1bu9 h ARG 54 CO -0.04 -0.10 0.76 0.00 -1.51 0.00 0.00 179.97 179.09 1bu9 h ARG 55 N -0.16 0.11 0.14 0.20 2.47 0.12 0.62 114.38 117.89 1bu9 h ARG 55 Ca 0.17 -0.01 -0.35 0.00 -1.26 0.00 0.00 59.98 58.53 1bu9 h ARG 55 Cb 0.52 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1bu9 h ARG 55 CO -0.80 0.07 -1.86 -0.07 0.56 0.00 0.00 179.97 177.88 1bu9 h LEU 56 N 0.11 0.45 -1.47 3.04 3.38 0.22 -3.36 115.31 117.67 1bu9 h LEU 56 Ca 0.81 -0.85 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1bu9 h LEU 56 Cb 2.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.96 1bu9 h LEU 56 CO -0.49 1.74 0.36 -0.07 0.09 0.00 0.00 178.44 180.07 1bu9 h LEU 57 N 0.08 0.62 -1.85 1.67 3.38 0.84 1.00 115.31 121.04 1bu9 h LEU 57 Ca -0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1bu9 h LEU 57 Cb 2.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 1bu9 h LEU 57 CO 0.12 0.45 -0.08 -0.07 0.09 0.00 0.00 178.44 178.95 1bu9 h LEU 58 N 0.73 0.00 0.00 1.67 -0.00 -0.54 -0.78 115.31 116.39 1bu9 h LEU 58 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1bu9 h LEU 58 Cb -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 1bu9 h LEU 58 CO -0.04 0.08 -1.21 -1.14 -0.00 0.00 0.00 178.44 176.13 1bu9 n ARG 59 N -4.42 0.62 0.00 1.13 3.00 -0.42 -4.96 116.66 111.60 1bu9 n ARG 59 Ca -0.03 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1bu9 n ARG 59 Cb 0.16 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 30.84 1bu9 n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 60 N 1.22 0.65 2.91 5.14 0.00 0.21 -4.97 105.19 110.35 1bu9 n GLY 60 Ca -0.02 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.42 4.61 0.00 -1.17 -4.47 121.76 124.07 1bu9 s ALA 61 Ca 0.00 -3.76 -0.40 0.00 0.00 0.00 0.00 51.96 47.80 1bu9 s ALA 61 Cb 0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 23.12 20.80 1bu9 s ALA 61 CO 0.00 -2.09 2.15 0.09 0.00 0.00 0.00 175.76 175.91 1bu9 n ASN 62 N 2.14 1.50 0.27 0.00 3.02 -1.26 -4.74 115.26 116.18 1bu9 n ASN 62 Ca 0.17 0.56 0.18 0.00 -0.03 0.00 0.00 54.58 55.47 1bu9 n ASN 62 Cb 0.34 -1.09 0.90 0.00 -0.61 0.00 0.00 39.78 39.32 1bu9 n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1bu9 h PRO 63 N 10.59 0.00 -0.91 3.52 0.13 -1.90 -1.12 132.00 142.30 1bu9 h PRO 63 Ca -0.20 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.65 1bu9 h PRO 63 Cb 1.37 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.33 1bu9 h PRO 63 CO 1.05 0.00 0.35 -3.47 -0.23 0.00 0.00 178.00 175.70 1bu9 n ASP 64 N -2.83 3.83 -4.38 1.44 2.03 -1.26 -2.54 116.55 112.84 1bu9 n ASP 64 Ca -0.01 -3.05 -0.24 0.00 0.52 0.00 0.00 54.79 52.01 1bu9 n ASP 64 Cb 0.13 -0.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.71 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bu9 n LEU 65 N -0.39 1.91 -4.22 -2.67 4.77 -0.43 -4.76 117.00 111.22 1bu9 n LEU 65 Ca 0.38 -2.57 -0.29 0.00 -0.03 0.00 0.00 56.01 53.50 1bu9 n LEU 65 Cb 1.26 -1.54 0.18 0.00 -2.33 0.00 0.00 43.42 40.99 1bu9 n LEU 65 CO 0.39 -2.78 -0.32 1.17 -1.33 0.00 0.00 177.39 174.52 1bu9 n LYS 66 N 8.09 -2.07 0.00 3.23 3.00 -1.26 -3.77 118.16 125.38 1bu9 n LYS 66 Ca 0.43 -0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1bu9 n LYS 66 Cb 0.46 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.81 1bu9 n LYS 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1bu9 n ASP 67 N -2.01 0.00 0.13 3.14 5.75 -0.70 -4.73 116.55 118.13 1bu9 n ASP 67 Ca 0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.59 1bu9 n ASP 67 Cb 0.56 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.45 -1.00 0.11 -0.00 -1.79 -3.22 114.38 108.93 1bu9 h ARG 68 Ca 0.00 -0.76 -0.25 0.00 -0.50 0.00 0.00 59.98 58.47 1bu9 h ARG 68 Cb 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 29.97 30.10 1bu9 h ARG 68 CO 0.00 1.36 0.32 0.25 0.00 0.00 0.00 179.97 181.90 1bu9 n THR 69 N -3.65 2.06 -1.53 2.04 -2.24 -1.26 -4.80 114.28 104.91 1bu9 n THR 69 Ca -0.14 -0.92 -0.15 0.00 -2.27 0.00 0.00 64.05 60.56 1bu9 n THR 69 Cb 1.08 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.29 1.23 3.64 3.38 0.00 -1.22 -1.07 105.19 110.86 1bu9 n GLY 70 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.31 3.25 0.37 1.61 0.40 -1.26 -2.97 117.98 117.07 1bu9 s PHE 71 Ca 0.00 1.11 -0.22 0.00 -0.60 0.00 0.00 56.93 57.22 1bu9 s PHE 71 Cb 0.00 -3.29 -0.10 0.00 0.51 0.00 0.00 43.02 40.14 1bu9 s PHE 71 CO 0.00 -0.55 0.92 0.00 0.70 0.00 0.00 175.22 176.29 1bu9 s ALA 72 N 3.13 3.14 0.59 5.36 0.00 -1.21 -1.72 121.76 131.04 1bu9 s ALA 72 Ca 0.38 0.39 0.30 0.00 0.00 0.00 0.00 51.96 53.04 1bu9 s ALA 72 Cb -0.14 -3.11 1.33 0.00 0.00 0.00 0.00 23.12 21.20 1bu9 s ALA 72 CO 0.10 0.17 1.68 -0.24 0.00 0.00 0.00 175.76 177.48 1bu9 h VAL 73 N 2.19 0.23 -0.82 0.00 3.04 -1.58 2.77 116.25 122.07 1bu9 h VAL 73 Ca -0.48 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.26 1bu9 h VAL 73 Cb 1.18 0.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.77 1bu9 h VAL 73 CO 0.63 0.00 0.51 0.40 -1.01 0.00 0.00 177.57 178.10 1bu9 h ILE 74 N 0.00 1.06 -0.11 3.17 2.04 -1.88 0.31 117.51 122.10 1bu9 h ILE 74 Ca 0.39 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1bu9 h ILE 74 Cb 2.02 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1bu9 h ILE 74 CO -0.00 0.17 -0.28 0.45 0.00 0.00 0.00 178.15 178.49 1bu9 h HIS 75 N 0.96 -0.85 -0.62 1.37 3.86 0.46 0.05 115.15 120.37 1bu9 h HIS 75 Ca 0.35 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.72 1bu9 h HIS 75 Cb 0.11 0.39 -0.12 0.00 1.06 0.00 0.00 27.41 28.85 1bu9 h HIS 75 CO -0.03 -0.27 -0.16 -0.44 0.86 0.00 0.00 177.93 177.88 1bu9 h ASP 76 N -0.27 -0.61 -0.72 2.45 3.32 -1.25 2.44 116.42 121.78 1bu9 h ASP 76 Ca 0.02 0.19 0.11 0.00 0.02 0.00 0.00 57.03 57.37 1bu9 h ASP 76 Cb 0.34 0.39 -0.08 0.00 0.22 0.00 0.00 39.33 40.20 1bu9 h ASP 76 CO -0.25 -0.21 0.32 0.00 -1.72 0.00 0.00 179.24 177.38 1bu9 h ALA 77 N 1.59 0.99 0.00 3.45 0.00 0.75 -3.06 119.26 122.98 1bu9 h ALA 77 Ca 0.30 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1bu9 h ALA 77 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bu9 h ALA 77 CO -0.64 -0.12 -0.89 0.00 0.00 0.00 0.00 179.25 177.60 1bu9 n ALA 78 N -2.45 0.68 -0.22 0.00 0.00 0.06 0.27 120.51 118.84 1bu9 n ALA 78 Ca 0.12 -0.61 0.07 0.00 0.00 0.00 0.00 53.44 53.02 1bu9 n ALA 78 Cb 0.33 -0.03 0.14 0.00 0.00 0.00 0.00 19.45 19.89 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 -4.52 -0.05 0.04 0.00 0.00 0.80 0.12 116.66 113.05 1bu9 n ARG 79 Ca -0.15 0.96 -0.12 0.00 -0.00 0.00 0.00 57.85 58.53 1bu9 n ARG 79 Cb 0.43 -1.48 -0.14 0.00 0.00 0.00 0.00 32.46 31.28 1bu9 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bu9 h ALA 80 N 1.25 0.42 0.00 5.13 0.00 -1.68 -3.43 119.26 120.96 1bu9 h ALA 80 Ca 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1bu9 h ALA 80 Cb 0.64 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bu9 h ALA 80 CO -0.62 1.29 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1bu9 n GLY 81 N 1.56 0.56 2.59 0.00 0.00 0.32 -5.07 105.19 105.16 1bu9 n GLY 81 Ca -0.13 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 2.45 -0.15 1.61 3.72 0.76 -4.95 117.46 120.90 1bu9 n PHE 82 Ca 0.00 -3.48 -0.12 0.00 -0.05 0.00 0.00 57.45 53.80 1bu9 n PHE 82 Cb 0.00 -0.34 -0.08 0.00 -0.94 0.00 0.00 39.48 38.12 1bu9 n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1bu9 h LEU 83 N 2.88 -1.73 -1.62 4.37 3.38 -1.92 2.10 115.31 122.77 1bu9 h LEU 83 Ca 0.12 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.53 1bu9 h LEU 83 Cb 0.86 0.73 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 1bu9 h LEU 83 CO 0.69 -0.38 0.76 0.44 0.09 0.00 0.00 178.44 180.04 1bu9 h ASP 84 N -0.35 0.00 0.36 -0.43 5.19 -1.92 3.50 116.42 122.77 1bu9 h ASP 84 Ca 0.11 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.19 1bu9 h ASP 84 Cb 0.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1bu9 h ASP 84 CO -0.62 0.00 -1.67 0.74 -3.12 0.00 0.00 179.24 174.57 1bu9 h THR 85 N 0.00 0.99 0.00 0.35 2.02 0.23 -2.64 112.91 113.86 1bu9 h THR 85 Ca 0.32 -2.66 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1bu9 h THR 85 Cb 1.83 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 70.91 1bu9 h THR 85 CO -0.00 0.80 -0.06 0.25 0.37 0.00 0.00 175.52 176.87 1bu9 h LEU 86 N 0.07 0.00 -0.02 2.58 6.46 1.80 -1.27 115.31 124.92 1bu9 h LEU 86 Ca -0.29 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.29 1bu9 h LEU 86 Cb 2.03 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.97 1bu9 h LEU 86 CO 0.14 0.06 -0.67 1.56 -0.62 0.00 0.00 178.44 178.91 1bu9 h GLN 87 N 0.00 0.49 -0.96 1.25 4.20 0.34 -1.89 115.11 118.54 1bu9 h GLN 87 Ca -0.00 -0.50 0.25 0.00 0.06 0.00 0.00 58.65 58.46 1bu9 h GLN 87 Cb 0.22 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 1bu9 h GLN 87 CO 0.01 1.14 0.65 1.15 -0.67 0.00 0.00 178.83 181.11 1bu9 h THR 88 N 0.03 0.58 -0.00 -0.54 2.02 -0.86 1.80 112.91 115.93 1bu9 h THR 88 Ca -0.08 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1bu9 h THR 88 Cb 1.36 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1bu9 h THR 88 CO 0.13 0.05 -0.01 -0.07 0.37 0.00 0.00 175.52 175.99 1bu9 h LEU 89 N 0.26 0.01 0.33 2.58 4.07 -1.34 -2.56 115.31 118.65 1bu9 h LEU 89 Ca 0.50 -0.70 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 1bu9 h LEU 89 Cb 1.50 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.24 1bu9 h LEU 89 CO -0.15 0.71 -0.16 0.25 -1.08 0.00 0.00 178.44 178.01 1bu9 h LEU 90 N -0.69 -0.37 -0.86 1.67 5.85 0.32 2.25 115.31 123.49 1bu9 h LEU 90 Ca -0.00 -0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.90 1bu9 h LEU 90 Cb 0.71 0.10 -0.15 0.00 0.37 0.00 0.00 40.66 41.68 1bu9 h LEU 90 CO 0.00 -0.21 0.03 -0.08 -0.34 0.00 0.00 178.44 177.85 1bu9 h GLU 91 N -0.51 0.08 -0.95 1.25 4.57 0.25 1.74 114.58 121.00 1bu9 h GLU 91 Ca -0.04 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 1bu9 h GLU 91 Cb 0.38 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.85 1bu9 h GLU 91 CO 0.07 0.05 0.22 1.19 -1.18 0.00 0.00 179.01 179.37 1bu9 n PHE 92 N -5.39 1.28 -3.39 0.92 3.01 -0.96 -4.87 117.46 108.06 1bu9 n PHE 92 Ca 0.18 -0.92 -0.18 0.00 1.01 0.00 0.00 57.45 57.55 1bu9 n PHE 92 Cb 0.59 -0.50 0.07 0.00 -0.01 0.00 0.00 39.48 39.64 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1bu9 n GLN 93 N -0.11 -4.02 -2.89 -1.08 6.02 0.59 -4.87 117.38 111.01 1bu9 n GLN 93 Ca 0.24 0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 57.63 1bu9 n GLN 93 Cb 0.95 -5.66 -0.04 0.00 1.02 0.00 0.00 30.24 26.50 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bu9 s ALA 94 N -3.41 3.28 -0.84 -1.58 0.00 0.75 -4.89 121.76 115.08 1bu9 s ALA 94 Ca 0.25 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1bu9 s ALA 94 Cb -0.04 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.73 1bu9 s ALA 94 CO 0.75 -0.09 2.11 -0.25 0.00 0.00 0.00 175.76 178.29 1bu9 n ASP 95 N 3.44 -0.34 0.19 0.00 9.92 -1.26 -4.62 116.55 123.88 1bu9 n ASP 95 Ca 0.01 -1.05 0.18 0.00 -0.53 0.00 0.00 54.79 53.39 1bu9 n ASP 95 Cb 0.51 -0.97 0.73 0.00 -0.64 0.00 0.00 41.12 40.76 1bu9 n ASP 95 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1bu9 h VAL 96 N 7.20 0.19 -0.06 2.53 3.04 -1.95 2.52 116.25 129.72 1bu9 h VAL 96 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1bu9 h VAL 96 Cb 1.07 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1bu9 h VAL 96 CO 1.33 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.48 1bu9 n ASN 97 N -3.31 1.36 -4.57 3.17 5.03 -1.26 -4.70 115.26 110.98 1bu9 n ASN 97 Ca 0.04 -1.52 -0.37 0.00 0.87 0.00 0.00 54.58 53.59 1bu9 n ASN 97 Cb 0.57 -0.04 0.06 0.00 -1.02 0.00 0.00 39.78 39.35 1bu9 n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bu9 n ILE 98 N 0.08 3.26 -1.86 2.41 0.00 0.85 -4.93 119.36 119.17 1bu9 n ILE 98 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 62.75 62.45 1bu9 n ILE 98 Cb 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 39.64 38.94 1bu9 n ILE 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1bu9 n GLU 99 N -0.92 2.30 0.00 9.51 1.02 -1.26 -3.75 120.64 127.55 1bu9 n GLU 99 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1bu9 n GLU 99 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.73 -1.87 1.62 5.75 0.44 -3.35 116.55 119.88 1bu9 n ASP 100 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.61 1bu9 n ASP 100 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 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 6.02 0.08 -1.12 5.15 -0.24 -4.25 115.26 120.91 1bu9 n ASN 101 Ca 0.00 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 1bu9 n ASN 101 Cb 0.00 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1bu9 n GLU 102 N 0.19 0.00 0.00 1.20 1.02 -1.26 -4.90 120.64 116.89 1bu9 n GLU 102 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1bu9 n GLU 102 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 -1.41 0.17 3.45 0.62 0.00 -1.26 -3.87 105.19 102.90 1bu9 n GLY 103 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.20 -4.03 1.61 4.13 -1.26 -4.21 115.26 110.31 1bu9 n ASN 104 Ca 0.00 0.73 -0.24 0.00 1.68 0.00 0.00 54.58 56.75 1bu9 n ASN 104 Cb 0.00 -1.15 -0.08 0.00 -1.54 0.00 0.00 39.78 37.00 1bu9 n ASN 104 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1bu9 s LEU 105 N 0.97 1.92 0.17 3.41 2.34 -1.26 0.17 118.68 126.40 1bu9 s LEU 105 Ca 0.68 -1.65 0.10 0.00 0.06 0.00 0.00 54.13 53.32 1bu9 s LEU 105 Cb -0.45 0.01 0.56 0.00 -0.56 0.00 0.00 46.19 45.75 1bu9 s LEU 105 CO 0.55 -0.92 1.27 -0.81 -1.06 0.00 0.00 176.35 175.38 1bu9 n PRO 106 N -0.81 0.07 0.05 1.48 -0.04 -1.25 -0.27 135.00 134.23 1bu9 n PRO 106 Ca -0.03 0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1bu9 n PRO 106 Cb 0.65 -1.80 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.22 -0.40 1.53 6.46 -1.88 -3.12 115.31 118.12 1bu9 h LEU 107 Ca 0.00 -0.29 -0.18 0.00 -0.12 0.00 0.00 57.88 57.29 1bu9 h LEU 107 Cb 0.15 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1bu9 h LEU 107 CO 0.00 1.24 -0.77 0.45 -0.62 0.00 0.00 178.44 178.74 1bu9 h HIS 108 N 0.04 0.41 0.16 1.25 3.86 -0.89 -2.68 115.15 117.29 1bu9 h HIS 108 Ca -0.17 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 58.84 1bu9 h HIS 108 Cb 1.94 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 30.35 1bu9 h HIS 108 CO 0.03 0.95 -0.09 -0.07 0.86 0.00 0.00 177.93 179.62 1bu9 h LEU 109 N 0.19 -0.22 -1.90 2.43 3.38 -1.39 0.82 115.31 118.62 1bu9 h LEU 109 Ca -0.03 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.29 1bu9 h LEU 109 Cb 1.35 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1bu9 h LEU 109 CO 0.12 -0.14 0.92 0.00 0.09 0.00 0.00 178.44 179.43 1bu9 h ALA 110 N -1.82 3.09 -0.26 1.53 0.00 -1.65 2.14 119.26 122.30 1bu9 h ALA 110 Ca -0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1bu9 h ALA 110 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bu9 h ALA 110 CO 0.03 -1.53 -0.57 0.00 0.00 0.00 0.00 179.25 177.18 1bu9 h ALA 111 N 1.27 0.49 -0.20 0.00 0.00 -0.80 2.03 119.26 122.05 1bu9 h ALA 111 Ca 0.56 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1bu9 h ALA 111 Cb 2.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 20.12 1bu9 h ALA 111 CO -0.01 0.68 -0.60 -0.22 0.00 0.00 0.00 179.25 179.11 1bu9 h LYS 112 N 0.62 0.77 -0.01 0.00 3.64 1.03 -3.08 116.57 119.54 1bu9 h LYS 112 Ca 0.01 -0.55 -0.16 0.00 -1.27 0.00 0.00 60.65 58.68 1bu9 h LYS 112 Cb 1.17 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1bu9 h LYS 112 CO 0.12 1.17 -0.73 0.93 -2.27 0.00 0.00 179.45 178.68 1bu9 h GLU 113 N 0.50 0.06 0.00 1.90 4.39 -0.61 -3.47 114.58 117.35 1bu9 h GLU 113 Ca -0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1bu9 h GLU 113 Cb 1.22 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1bu9 h GLU 113 CO 0.13 0.76 0.00 0.41 -1.16 0.00 0.00 179.01 179.15 1bu9 n GLY 114 N 0.55 1.11 3.28 -3.84 0.00 0.34 -4.97 105.19 101.65 1bu9 n GLY 114 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.77 0.96 0.00 1.61 8.25 0.60 -4.75 115.22 120.13 1bu9 n HIS 115 Ca 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.28 1bu9 n HIS 115 Cb 0.00 -1.24 0.00 0.00 1.12 0.00 0.00 29.99 29.87 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 8.11 0.00 -0.69 2.41 0.00 -1.26 0.11 117.00 125.67 1bu9 n LEU 116 Ca 0.48 0.54 0.52 0.00 0.00 0.00 0.00 56.01 57.55 1bu9 n LEU 116 Cb 0.40 -0.04 0.80 0.00 0.00 0.00 0.00 43.42 44.59 1bu9 n LEU 116 CO 1.10 -0.04 1.45 -1.14 0.00 0.00 0.00 177.39 178.77 1bu9 n ARG 117 N -0.83 -0.00 0.00 1.96 0.00 -1.26 0.12 116.66 116.65 1bu9 n ARG 117 Ca 0.00 1.07 -0.00 0.00 -0.00 0.00 0.00 57.85 58.92 1bu9 n ARG 117 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 32.46 30.00 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 -0.72 5.15 2.07 -1.66 -2.54 116.25 118.55 1bu9 h VAL 118 Ca 0.93 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 68.63 1bu9 h VAL 118 Cb 3.68 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 1bu9 h VAL 118 CO -0.03 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.78 1bu9 h VAL 119 N -0.04 0.38 0.00 2.57 2.07 0.31 2.08 116.25 123.62 1bu9 h VAL 119 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1bu9 h VAL 119 Cb 0.01 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1bu9 h VAL 119 CO 0.00 0.00 -0.13 -0.08 0.02 0.00 0.00 177.57 177.38 1bu9 h GLU 120 N 0.00 0.00 -0.08 1.57 4.22 0.10 -2.52 114.58 117.87 1bu9 h GLU 120 Ca 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.74 1bu9 h GLU 120 Cb 1.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.87 1bu9 h GLU 120 CO -0.00 0.13 -0.12 0.35 -2.18 0.00 0.00 179.01 177.19 1bu9 h PHE 121 N 0.00 0.27 -0.89 0.92 3.04 0.38 -0.32 116.94 120.35 1bu9 h PHE 121 Ca -0.00 -0.09 0.10 0.00 3.98 0.00 0.00 57.97 61.96 1bu9 h PHE 121 Cb 0.24 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.63 1bu9 h PHE 121 CO 0.00 0.69 0.57 -0.07 -2.02 0.00 0.00 178.31 177.49 1bu9 h LEU 122 N -0.22 0.80 0.00 0.59 4.07 -1.36 0.19 115.31 119.37 1bu9 h LEU 122 Ca 0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1bu9 h LEU 122 Cb 0.66 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1bu9 h LEU 122 CO 0.03 0.47 -0.07 1.62 -1.08 0.00 0.00 178.44 179.40 1bu9 h VAL 123 N 0.88 0.00 0.14 1.22 3.04 -1.40 -3.05 116.25 117.07 1bu9 h VAL 123 Ca 0.41 -1.00 -0.18 0.00 -1.01 0.00 0.00 66.70 64.93 1bu9 h VAL 123 Cb 0.42 1.96 0.02 0.00 -2.01 0.00 0.00 31.29 31.68 1bu9 h VAL 123 CO -0.18 0.00 -0.80 0.50 -1.01 0.00 0.00 177.57 176.08 1bu9 h LYS 124 N 0.00 0.29 0.00 4.17 1.63 0.11 -3.47 116.57 119.29 1bu9 h LYS 124 Ca 0.00 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1bu9 h LYS 124 Cb 1.00 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1bu9 h LYS 124 CO 0.00 1.24 0.00 0.72 -3.45 0.00 0.00 179.45 177.96 1bu9 n HIS 125 N -4.14 0.00 0.00 1.91 8.25 0.14 -5.08 115.22 116.31 1bu9 n HIS 125 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1bu9 n HIS 125 Cb 0.81 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1bu9 n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bu9 n THR 126 N 0.00 0.00 0.77 1.59 -2.24 -1.26 -3.51 114.28 109.62 1bu9 n THR 126 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1bu9 n THR 126 Cb 0.00 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.75 2.46 -1.12 6.98 0.00 -1.26 -5.02 120.51 123.30 1bu9 n ALA 127 Ca 0.00 -0.78 0.11 0.00 0.00 0.00 0.00 53.44 52.78 1bu9 n ALA 127 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 1.12 -5.16 -2.66 0.00 7.64 -1.15 -4.68 113.62 108.72 1bu9 n SER 128 Ca 0.17 0.91 -0.27 0.00 1.01 0.00 0.00 58.87 60.69 1bu9 n SER 128 Cb 0.53 -3.75 -0.01 0.00 -1.01 0.00 0.00 64.21 59.97 1bu9 n SER 128 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bu9 n ASN 129 N -3.95 4.72 0.00 6.43 4.13 -1.26 -4.79 115.26 120.55 1bu9 n ASN 129 Ca -0.06 -3.71 0.00 0.00 1.68 0.00 0.00 54.58 52.49 1bu9 n ASN 129 Cb 0.47 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1bu9 n VAL 130 N -0.40 0.00 0.29 2.41 0.24 -1.26 -2.40 118.33 117.21 1bu9 n VAL 130 Ca 0.37 1.05 0.03 0.00 -2.04 0.00 0.00 64.34 63.75 1bu9 n VAL 130 Cb 0.56 -1.81 0.17 0.00 -1.47 0.00 0.00 33.84 31.28 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 -0.77 1.95 3.54 7.63 0.00 -1.26 -4.47 105.19 111.81 1bu9 n GLY 131 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1bu9 n GLY 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bu9 n HIS 132 N 0.28 0.82 -2.60 1.61 -0.00 -1.01 -4.87 115.22 109.45 1bu9 n HIS 132 Ca 0.11 -0.42 -0.42 0.00 -0.00 0.00 0.00 57.72 56.99 1bu9 n HIS 132 Cb 0.61 -2.05 -0.03 0.00 -0.00 0.00 0.00 29.99 28.52 1bu9 n HIS 132 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1bu9 s ARG 133 N 7.83 4.45 0.00 1.57 0.52 -1.26 -2.99 118.95 129.06 1bu9 s ARG 133 Ca 0.76 1.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1bu9 s ARG 133 Cb 0.02 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1bu9 s ARG 133 CO 0.23 -0.26 0.00 0.27 0.02 0.00 0.00 175.30 175.56 1bu9 n ASN 134 N 4.54 0.00 0.03 0.23 6.94 -1.16 -4.54 115.26 121.29 1bu9 n ASN 134 Ca 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.52 1bu9 n ASN 134 Cb 0.48 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.83 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 -0.20 0.01 0.21 -2.53 2.76 -1.80 -3.12 115.15 110.48 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 -0.00 0.03 0.00 1.55 0.00 0.00 27.41 28.98 1bu9 h HIS 135 CO 0.00 0.05 -1.38 -0.22 -1.30 0.00 0.00 177.93 175.09 1bu9 h LYS 136 N -0.03 0.45 0.00 5.26 3.64 -1.90 -3.48 116.57 120.51 1bu9 h LYS 136 Ca 0.00 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 1bu9 h LYS 136 Cb 0.04 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1bu9 h LYS 136 CO -0.00 1.37 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 1bu9 n GLY 137 N 1.73 -0.50 3.57 5.01 0.00 -1.18 -5.04 105.19 108.78 1bu9 n GLY 137 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.63 0.64 1.61 1.01 -1.26 -3.77 116.67 119.53 1bu9 s ASP 138 Ca 0.00 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.58 1bu9 s ASP 138 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1bu9 s ASP 138 CO 0.00 -3.29 0.00 0.35 0.21 0.00 0.00 175.17 172.44 1bu9 n THR 139 N 8.21 0.00 0.93 -1.27 -2.24 -1.25 -3.00 114.28 115.66 1bu9 n THR 139 Ca 0.43 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.29 1bu9 n THR 139 Cb 0.46 -0.13 0.47 0.00 -2.10 0.00 0.00 70.33 69.03 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 -3.00 2.03 -0.09 6.98 0.00 -1.16 -2.35 120.51 122.91 1bu9 n ALA 140 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1bu9 n ALA 140 Cb 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 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 -3.24 0.00 -0.01 0.00 8.00 -1.04 -1.77 116.55 118.50 1bu9 n ASP 142 Ca -0.40 0.37 -0.01 0.00 0.71 0.00 0.00 54.79 55.46 1bu9 n ASP 142 Cb 1.03 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.29 0.33 0.64 7.99 -0.99 -2.80 117.00 121.03 1bu9 n LEU 143 Ca 0.05 0.24 0.16 0.00 -0.01 0.00 0.00 56.01 56.45 1bu9 n LEU 143 Cb 0.16 -0.55 0.87 0.00 -0.11 0.00 0.00 43.42 43.78 1bu9 n LEU 143 CO 0.13 -0.49 1.13 0.00 -1.51 0.00 0.00 177.39 176.65 1bu9 h ALA 144 N -1.84 1.28 0.02 -1.18 0.00 -1.60 -2.02 119.26 113.92 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bu9 h ALA 144 CO 0.00 -0.28 -0.01 -0.09 0.00 0.00 0.00 179.25 178.87 1bu9 h ARG 145 N 0.00 -0.02 -0.99 0.00 9.65 -1.44 -1.68 114.38 119.89 1bu9 h ARG 145 Ca 0.00 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.11 1bu9 h ARG 145 Cb 0.56 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.03 1bu9 h ARG 145 CO 0.00 -0.02 0.58 -0.07 2.80 0.00 0.00 179.97 183.27 1bu9 h LEU 146 N -0.76 0.67 0.00 3.80 4.07 -1.28 1.24 115.31 123.06 1bu9 h LEU 146 Ca -0.00 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1bu9 h LEU 146 Cb 0.02 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1bu9 h LEU 146 CO 0.00 0.13 0.00 -1.22 -1.08 0.00 0.00 178.44 176.28 1bu9 n TYR 147 N -4.87 0.00 0.00 1.13 4.01 -0.80 -4.86 117.16 111.77 1bu9 n TYR 147 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1bu9 n TYR 147 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 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 0.30 2.48 3.37 2.72 0.00 0.43 -4.97 105.19 109.50 1bu9 n GLY 148 Ca 0.14 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -0.08 1.61 5.12 -0.64 -4.76 116.66 117.91 1bu9 n ARG 149 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1bu9 n ARG 149 Cb 0.00 -1.45 -0.12 0.00 -1.16 0.00 0.00 32.46 29.73 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 9.94 1.95 -0.01 0.55 6.94 -1.26 -2.69 115.26 130.67 1bu9 n ASN 150 Ca 0.63 0.32 0.23 0.00 -0.02 0.00 0.00 54.58 55.74 1bu9 n ASN 150 Cb 0.02 -0.88 0.66 0.00 -2.36 0.00 0.00 39.78 37.23 1bu9 n ASN 150 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1bu9 h GLU 151 N -0.66 0.00 0.17 -3.83 4.57 -1.93 2.76 114.58 115.66 1bu9 h GLU 151 Ca -0.44 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.42 1bu9 h GLU 151 Cb 1.58 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.18 1bu9 h GLU 151 CO -0.16 0.00 -1.50 0.28 -1.18 0.00 0.00 179.01 176.44 1bu9 h VAL 152 N 0.00 1.21 0.36 0.32 2.07 -1.91 -2.36 116.25 115.95 1bu9 h VAL 152 Ca 0.30 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 1bu9 h VAL 152 Cb 1.67 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.31 1bu9 h VAL 152 CO -0.00 0.84 -0.17 0.58 0.02 0.00 0.00 177.57 178.84 1bu9 h VAL 153 N 0.10 0.00 -1.08 2.57 2.07 0.44 -3.01 116.25 117.34 1bu9 h VAL 153 Ca -0.24 -0.29 0.29 0.00 0.82 0.00 0.00 66.70 67.27 1bu9 h VAL 153 Cb 2.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 1bu9 h VAL 153 CO 0.20 0.00 0.70 -1.28 0.02 0.00 0.00 177.57 177.21 1bu9 h SER 154 N -0.77 0.39 -0.45 0.57 0.87 0.17 0.92 113.55 115.25 1bu9 h SER 154 Ca -0.05 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 1bu9 h SER 154 Cb 0.37 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.25 1bu9 h SER 154 CO 0.08 0.05 -0.34 0.25 -0.53 0.00 0.00 176.83 176.34 1bu9 h LEU 155 N 0.33 -1.15 0.02 2.23 7.12 -1.29 1.48 115.31 124.05 1bu9 h LEU 155 Ca 0.62 0.20 -0.10 0.00 0.13 0.00 0.00 57.88 58.73 1bu9 h LEU 155 Cb 1.67 0.54 -0.01 0.00 -0.53 0.00 0.00 40.66 42.33 1bu9 h LEU 155 CO -0.29 -0.32 -0.50 0.24 -0.13 0.00 0.00 178.44 177.44 1bu9 h MET 156 N -0.24 0.04 -0.59 1.25 2.86 -0.39 -2.16 114.93 115.70 1bu9 h MET 156 Ca 0.18 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.88 1bu9 h MET 156 Cb 0.55 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.13 1bu9 h MET 156 CO -0.58 1.03 -0.01 1.96 1.06 0.00 0.00 176.91 180.37 1bu9 h GLN 157 N -0.91 0.11 -0.54 1.72 4.20 0.87 1.14 115.11 121.69 1bu9 h GLN 157 Ca -0.13 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1bu9 h GLN 157 Cb 1.18 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 1bu9 h GLN 157 CO -0.04 0.07 -0.11 0.00 -0.67 0.00 0.00 178.83 178.08 1bu9 h ALA 158 N 1.54 0.78 -0.09 3.87 0.00 0.20 -2.99 119.26 122.57 1bu9 h ALA 158 Ca 0.31 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1bu9 h ALA 158 Cb 0.49 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1bu9 h ALA 158 CO -0.51 0.67 -0.08 0.09 0.00 0.00 0.00 179.25 179.42 1bu9 n ASN 159 N -4.14 5.51 -3.73 0.00 3.02 0.45 -4.74 115.26 111.62 1bu9 n ASN 159 Ca 0.02 -2.57 -0.27 0.00 -0.03 0.00 0.00 54.58 51.73 1bu9 n ASN 159 Cb 0.40 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.28 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 1.74 -0.44 0.00 7.41 0.00 -1.02 -4.70 105.19 108.16 1bu9 n GLY 160 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.51 1.98 -3.01 4.61 0.00 0.36 -4.80 120.51 116.14 1bu9 n ALA 161 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.06 1bu9 n ALA 161 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 2.19 4.20 7.00 0.00 0.00 -0.57 -4.02 105.19 113.99 1bu9 n GLY 162 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 2.90 3.01 3.69 -0.02 0.00 -1.26 -4.64 105.19 108.86 1bu9 n GLY 163 Ca 0.31 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 9.75 -2.71 -2.75 4.61 0.00 -1.26 -4.84 120.51 123.31 1bu9 n ALA 164 Ca 0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1bu9 n ALA 164 Cb 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.41 1bu9 n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bu9 n THR 165 N -2.13 5.75 -3.65 0.00 -1.04 -1.26 -4.94 114.28 107.01 1bu9 n THR 165 Ca -0.26 -5.95 -0.39 0.00 -2.04 0.00 0.00 64.05 55.41 1bu9 n THR 165 Cb 0.68 -1.68 -0.10 0.00 -1.82 0.00 0.00 70.33 67.41 1bu9 n THR 165 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1bu9 s ASN 166 N -1.57 5.51 -0.49 8.00 2.47 -1.26 -4.95 114.94 122.65 1bu9 s ASN 166 Ca 0.37 -1.93 0.06 0.00 0.42 0.00 0.00 52.86 51.79 1bu9 s ASN 166 Cb 0.16 -1.93 0.39 0.00 -1.45 0.00 0.00 41.25 38.41 1bu9 s ASN 166 CO -0.07 -0.62 1.02 -0.11 -3.72 0.00 0.00 177.10 173.60 1bu9 n LEU 167 N 4.78 4.23 0.00 3.21 7.94 -1.26 -5.25 117.00 130.65 1bu9 n LEU 167 Ca -0.06 -5.31 0.00 0.00 -1.11 0.00 0.00 56.01 49.53 1bu9 n LEU 167 Cb 0.41 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1bu9 n LEU 167 CO 0.39 2.25 0.00 1.67 -1.11 0.00 0.00 177.39 180.59