#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 3.75 -2.75 -5.12 0.00 -1.26 -4.93 120.51 110.21 1bu9 n ALA 2 Ca 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 53.44 49.27 1bu9 n ALA 2 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 18.67 1bu9 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bu9 s GLU 3 N -3.11 0.84 0.77 0.00 2.12 -1.26 -5.15 118.70 112.91 1bu9 s GLU 3 Ca 0.45 -0.82 -0.12 0.00 0.36 0.00 0.00 54.97 54.84 1bu9 s GLU 3 Cb 0.33 -0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.74 1bu9 s GLU 3 CO -0.11 -1.04 1.11 -1.25 -0.54 0.00 0.00 175.26 173.42 1bu9 s PRO 4 N 0.93 2.30 -0.85 4.30 0.04 -1.26 -3.80 135.00 136.66 1bu9 s PRO 4 Ca 0.28 0.51 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 1bu9 s PRO 4 Cb 0.03 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1bu9 s PRO 4 CO -0.07 -1.44 0.76 1.87 0.04 0.00 0.00 177.00 178.16 1bu9 n TRP 5 N -3.29 -2.72 0.00 0.56 -0.00 -1.26 -4.37 117.44 106.35 1bu9 n TRP 5 Ca 0.07 1.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.57 1bu9 n TRP 5 Cb 0.57 -3.99 0.00 0.00 -0.00 0.00 0.00 31.31 27.89 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bu9 n GLY 6 N -1.61 1.25 0.00 5.87 0.00 -1.26 -3.97 105.19 105.46 1bu9 n GLY 6 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1bu9 n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bu9 n ASN 7 N 0.00 3.43 -0.11 1.61 4.13 -1.25 -4.36 115.26 118.72 1bu9 n ASN 7 Ca 0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 1bu9 n ASN 7 Cb 0.00 0.02 -0.08 0.00 -1.54 0.00 0.00 39.78 38.18 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bu9 n GLU 8 N -2.32 0.55 0.00 3.52 4.71 -1.26 -3.60 120.64 122.24 1bu9 n GLU 8 Ca 0.00 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.57 1bu9 n GLU 8 Cb 0.42 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 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 -4.41 0.00 -0.33 -4.62 7.99 -1.26 0.79 117.00 115.16 1bu9 n LEU 9 Ca -0.32 0.38 0.23 0.00 -0.01 0.00 0.00 56.01 56.29 1bu9 n LEU 9 Cb 0.65 0.00 0.46 0.00 -0.11 0.00 0.00 43.42 44.42 1bu9 n LEU 9 CO 0.13 0.00 1.07 0.00 -1.51 0.00 0.00 177.39 177.07 1bu9 h ALA 10 N -2.23 1.86 -2.16 -1.18 0.00 -1.87 1.31 119.26 114.99 1bu9 h ALA 10 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bu9 h ALA 10 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bu9 h ALA 10 CO 0.00 -0.63 0.00 0.45 0.00 0.00 0.00 179.25 179.07 1bu9 n SER 11 N -5.13 0.00 0.34 0.00 2.88 0.93 0.22 113.62 112.85 1bu9 n SER 11 Ca 0.31 0.64 -0.16 0.00 -1.33 0.00 0.00 58.87 58.33 1bu9 n SER 11 Cb 0.99 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.87 -0.86 -0.74 -1.46 0.00 0.14 0.31 119.26 114.78 1bu9 h ALA 12 Ca 0.00 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.86 1bu9 h ALA 12 Cb 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 1bu9 h ALA 12 CO 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 179.25 178.26 1bu9 h ALA 13 N -0.76 0.64 -0.29 0.00 0.00 0.16 1.25 119.26 120.26 1bu9 h ALA 13 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bu9 h ALA 13 Cb 0.70 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bu9 h ALA 13 CO 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1bu9 n ALA 14 N -3.07 2.49 0.34 0.00 0.00 0.58 -1.73 120.51 119.12 1bu9 n ALA 14 Ca 0.12 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 53.07 1bu9 n ALA 14 Cb 0.43 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 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 0.35 4.28 -0.06 0.00 3.00 0.40 -4.50 116.66 120.13 1bu9 n ARG 15 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1bu9 n ARG 15 Cb 0.27 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 31.85 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 16 N 1.22 0.86 3.57 5.14 0.00 0.51 -5.01 105.19 111.47 1bu9 n GLY 16 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.25 5.76 -0.07 1.61 1.11 -0.12 -4.86 116.67 117.85 1bu9 s ASP 17 Ca 0.00 0.40 -0.19 0.00 0.18 0.00 0.00 52.55 52.93 1bu9 s ASP 17 Cb 0.00 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.30 1bu9 s ASP 17 CO 0.00 -1.98 0.76 0.25 1.18 0.00 0.00 175.17 175.37 1bu9 h LEU 18 N 14.49 -0.15 -0.52 1.23 5.85 -1.95 -3.27 115.31 130.99 1bu9 h LEU 18 Ca -0.28 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 57.97 1bu9 h LEU 18 Cb 1.13 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1bu9 h LEU 18 CO 1.18 0.44 -0.07 -0.33 -0.34 0.00 0.00 178.44 179.33 1bu9 h GLU 19 N -0.90 0.97 0.00 1.25 4.39 -1.98 -2.77 114.58 115.53 1bu9 h GLU 19 Ca -0.02 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1bu9 h GLU 19 Cb 0.52 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1bu9 h GLU 19 CO 0.03 1.01 0.00 0.94 -1.16 0.00 0.00 179.01 179.83 1bu9 n GLN 20 N -4.22 0.00 -0.34 2.33 -0.06 -1.25 0.13 117.38 113.96 1bu9 n GLN 20 Ca 0.01 0.79 0.15 0.00 -2.00 0.00 0.00 57.00 55.95 1bu9 n GLN 20 Cb 0.37 -1.48 0.35 0.00 -4.06 0.00 0.00 30.24 25.41 1bu9 n GLN 20 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1bu9 h LEU 21 N 0.00 0.70 0.47 1.69 8.10 -1.64 -0.04 115.31 124.59 1bu9 h LEU 21 Ca 0.00 0.12 -0.02 0.00 0.11 0.00 0.00 57.88 58.09 1bu9 h LEU 21 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1bu9 h LEU 21 CO 0.00 0.18 -0.23 0.74 -4.11 0.00 0.00 178.44 175.02 1bu9 h THR 22 N 0.66 0.00 -0.92 0.15 2.02 -0.82 -0.45 112.91 113.55 1bu9 h THR 22 Ca 0.60 -0.01 0.27 0.00 0.77 0.00 0.00 66.41 68.04 1bu9 h THR 22 Cb 1.05 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.31 1bu9 h THR 22 CO -0.43 0.00 0.31 -1.28 0.37 0.00 0.00 175.52 174.48 1bu9 h SER 23 N -0.65 0.09 0.11 4.18 0.87 0.17 2.03 113.55 120.35 1bu9 h SER 23 Ca -0.06 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1bu9 h SER 23 Cb 0.48 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1bu9 h SER 23 CO 0.11 -0.19 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.07 1bu9 h LEU 24 N 0.20 0.00 -0.07 2.23 4.07 -0.70 -2.19 115.31 118.85 1bu9 h LEU 24 Ca 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.56 1bu9 h LEU 24 Cb 1.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.05 1bu9 h LEU 24 CO -0.68 0.08 0.00 0.25 -1.08 0.00 0.00 178.44 177.02 1bu9 h LEU 25 N 0.00 0.12 0.00 1.67 5.85 0.50 0.64 115.31 124.08 1bu9 h LEU 25 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1bu9 h LEU 25 Cb 0.15 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1bu9 h LEU 25 CO 0.01 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 178.50 1bu9 n GLN 26 N -4.86 0.20 -0.10 1.25 10.64 -0.95 -3.59 117.38 119.97 1bu9 n GLN 26 Ca -0.07 0.14 -0.14 0.00 -1.83 0.00 0.00 57.00 55.10 1bu9 n GLN 26 Cb 0.18 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.01 1bu9 n GLN 26 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1bu9 n ASN 27 N -1.33 1.86 0.00 2.61 5.15 -0.76 -5.08 115.26 117.71 1bu9 n ASN 27 Ca 0.07 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 1bu9 n ASN 27 Cb 0.15 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1bu9 n ASN 27 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bu9 n ASN 28 N -4.32 0.00 -3.70 1.20 2.85 0.22 -5.09 115.26 106.42 1bu9 n ASN 28 Ca -0.25 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.09 1bu9 n ASN 28 Cb 0.60 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.53 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1bu9 s VAL 29 N -0.04 -0.00 -1.29 3.44 -7.23 -1.26 -4.63 120.40 109.40 1bu9 s VAL 29 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1bu9 s VAL 29 Cb 0.00 -0.69 0.14 0.00 0.56 0.00 0.00 36.38 36.38 1bu9 s VAL 29 CO 0.00 0.00 1.79 0.59 -0.31 0.00 0.00 175.10 177.17 1bu9 n ASN 30 N 2.92 4.93 -0.40 4.85 3.02 -1.26 -4.80 115.26 124.51 1bu9 n ASN 30 Ca -0.14 -3.01 0.36 0.00 -0.03 0.00 0.00 54.58 51.76 1bu9 n ASN 30 Cb 0.57 -1.56 0.56 0.00 -0.61 0.00 0.00 39.78 38.73 1bu9 n ASN 30 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1bu9 n VAL 31 N 4.28 0.00 -0.55 2.41 0.31 -1.26 0.32 118.33 123.84 1bu9 n VAL 31 Ca 0.42 1.26 0.07 0.00 -0.01 0.00 0.00 64.34 66.07 1bu9 n VAL 31 Cb 0.40 -2.18 0.18 0.00 -0.91 0.00 0.00 33.84 31.32 1bu9 n VAL 31 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1bu9 n ASN 32 N -3.39 3.15 -3.69 4.52 5.03 -1.26 -4.74 115.26 114.88 1bu9 n ASN 32 Ca 0.30 -2.49 0.00 0.00 0.87 0.00 0.00 54.58 53.26 1bu9 n ASN 32 Cb 1.62 -0.35 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 -0.16 0.00 -3.32 5.41 0.00 0.96 -4.94 120.51 118.46 1bu9 n ALA 33 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1bu9 n ALA 33 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.28 0.82 0.00 0.74 -1.25 -4.22 119.66 116.03 1bu9 s GLN 34 Ca 0.00 0.65 -0.11 0.00 0.05 0.00 0.00 55.36 55.94 1bu9 s GLN 34 Cb 0.00 0.38 0.09 0.00 1.10 0.00 0.00 33.01 34.58 1bu9 s GLN 34 CO 0.00 -0.16 1.13 1.21 -0.55 0.00 0.00 175.29 176.92 1bu9 s ASN 35 N 2.58 3.79 0.64 6.67 2.47 -1.19 -4.74 114.94 125.17 1bu9 s ASN 35 Ca -0.00 2.06 0.26 0.00 0.42 0.00 0.00 52.86 55.60 1bu9 s ASN 35 Cb -0.07 -2.55 1.38 0.00 -1.45 0.00 0.00 41.25 38.56 1bu9 s ASN 35 CO -0.16 -2.52 1.79 1.23 -3.72 0.00 0.00 177.10 173.72 1bu9 h GLY 36 N -1.29 0.00 1.88 1.21 0.00 -1.93 1.15 103.07 104.09 1bu9 h GLY 36 Ca -0.44 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 1bu9 h GLY 36 CO 0.47 0.00 -0.75 -2.75 0.00 0.00 0.00 176.54 173.51 1bu9 h PHE 37 N 0.00 0.16 0.00 5.60 3.04 -1.94 -3.47 116.94 120.33 1bu9 h PHE 37 Ca 0.07 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1bu9 h PHE 37 Cb 1.02 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.51 1bu9 h PHE 37 CO 0.00 0.82 0.00 0.41 -2.02 0.00 0.00 178.31 177.52 1bu9 n GLY 38 N 0.60 1.75 2.78 2.40 0.00 0.40 -4.29 105.19 108.83 1bu9 n GLY 38 Ca -0.02 0.00 -0.19 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 -0.42 0.10 0.38 1.61 3.03 -1.25 -1.91 118.95 120.50 1bu9 s ARG 39 Ca 0.00 0.34 -0.25 0.00 2.03 0.00 0.00 55.73 57.85 1bu9 s ARG 39 Cb 0.00 -0.86 -0.12 0.00 -1.03 0.00 0.00 34.95 32.94 1bu9 s ARG 39 CO 0.00 -0.50 0.83 0.25 -1.13 0.00 0.00 175.30 174.75 1bu9 n THR 40 N 5.32 2.10 -0.04 4.99 -2.24 -1.26 -3.18 114.28 119.96 1bu9 n THR 40 Ca -0.05 -0.50 0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1bu9 n THR 40 Cb 0.50 -0.84 0.56 0.00 -2.10 0.00 0.00 70.33 68.44 1bu9 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 h ALA 41 N 1.36 2.51 -0.48 6.98 0.00 -1.91 2.23 119.26 129.95 1bu9 h ALA 41 Ca -0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bu9 h ALA 41 Cb 1.36 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1bu9 h ALA 41 CO 0.56 -1.22 0.29 1.25 0.00 0.00 0.00 179.25 180.13 1bu9 h LEU 42 N 0.00 0.57 0.20 0.00 5.85 -1.90 0.46 115.31 120.49 1bu9 h LEU 42 Ca 0.33 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1bu9 h LEU 42 Cb 2.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.95 1bu9 h LEU 42 CO -0.00 0.44 -0.10 1.56 -0.34 0.00 0.00 178.44 180.00 1bu9 h GLN 43 N 0.66 -0.26 0.27 1.25 7.50 0.35 -3.36 115.11 121.52 1bu9 h GLN 43 Ca 0.18 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.33 1bu9 h GLN 43 Cb -0.03 0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.57 1bu9 h GLN 43 CO -0.03 0.13 -0.13 -0.39 -1.50 0.00 0.00 178.83 176.91 1bu9 h VAL 44 N -0.81 0.00 -2.03 -0.54 -1.51 -1.33 -3.43 116.25 106.60 1bu9 h VAL 44 Ca -0.03 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1bu9 h VAL 44 Cb 0.52 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1bu9 h VAL 44 CO 0.05 0.00 0.00 1.15 -1.23 0.00 0.00 177.57 177.54 1bu9 n MET 45 N -3.08 -1.42 0.00 5.19 0.00 0.16 -4.05 117.12 113.93 1bu9 n MET 45 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1bu9 n MET 45 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.87 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 -0.75 0.00 0.00 3.17 4.76 -0.71 -4.41 118.16 120.23 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 0.14 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 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 -0.04 -0.35 4.77 -1.26 -4.91 117.00 115.21 1bu9 n LEU 47 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1bu9 n LEU 47 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1bu9 n LEU 47 CO 0.00 0.00 0.67 1.23 -1.33 0.00 0.00 177.39 177.96 1bu9 h GLY 48 N 0.00 -0.28 -5.56 -0.72 0.00 -1.95 -3.32 103.07 91.23 1bu9 h GLY 48 Ca 0.00 0.35 -0.63 0.00 0.00 0.00 0.00 47.33 47.05 1bu9 h GLY 48 CO 0.00 -0.21 -0.37 0.54 0.00 0.00 0.00 176.54 176.51 1bu9 s ASN 49 N -5.00 6.51 0.09 0.19 2.20 -1.26 -4.94 114.94 112.72 1bu9 s ASN 49 Ca -0.15 0.61 0.23 0.00 -0.94 0.00 0.00 52.86 52.61 1bu9 s ASN 49 Cb 0.12 -2.15 0.17 0.00 -2.00 0.00 0.00 41.25 37.39 1bu9 s ASN 49 CO 0.67 0.30 1.15 -0.81 -2.94 0.00 0.00 177.10 175.47 1bu9 n PRO 50 N 2.40 0.31 0.21 3.55 -0.04 -1.25 -3.46 135.00 136.72 1bu9 n PRO 50 Ca -0.16 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1bu9 n PRO 50 Cb 0.53 -1.64 0.44 0.00 -0.04 0.00 0.00 33.50 32.79 1bu9 n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bu9 h GLU 51 N 0.00 0.00 -0.14 0.54 4.11 -1.92 -2.54 114.58 114.62 1bu9 h GLU 51 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1bu9 h GLU 51 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1bu9 h GLU 51 CO 0.00 0.26 -0.14 0.82 0.07 0.00 0.00 179.01 180.01 1bu9 h ILE 52 N 0.00 0.00 -0.54 -1.06 1.08 -1.86 0.68 117.51 115.81 1bu9 h ILE 52 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1bu9 h ILE 52 Cb 0.77 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1bu9 h ILE 52 CO 0.03 0.00 0.27 0.00 -0.69 0.00 0.00 178.15 177.77 1bu9 h ALA 53 N -0.88 0.70 -0.73 1.87 0.00 -1.79 -2.88 119.26 115.54 1bu9 h ALA 53 Ca 0.02 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1bu9 h ALA 53 Cb 0.14 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 1bu9 h ALA 53 CO -0.17 0.24 -0.53 -0.09 0.00 0.00 0.00 179.25 178.70 1bu9 h ARG 54 N 0.73 -0.16 -0.82 0.00 2.43 -0.61 2.46 114.38 118.41 1bu9 h ARG 54 Ca 0.19 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.56 1bu9 h ARG 54 Cb 0.09 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 29.54 1bu9 h ARG 54 CO -0.03 -0.11 0.02 0.00 -1.51 0.00 0.00 179.97 178.35 1bu9 h ARG 55 N -0.17 0.09 0.39 0.20 2.47 0.50 2.03 114.38 119.90 1bu9 h ARG 55 Ca 0.15 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 1bu9 h ARG 55 Cb 0.52 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1bu9 h ARG 55 CO -0.79 0.06 -0.19 -0.07 0.56 0.00 0.00 179.97 179.54 1bu9 h LEU 56 N 0.10 -0.45 -0.80 3.04 3.38 0.29 -3.27 115.31 117.59 1bu9 h LEU 56 Ca 0.46 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.60 1bu9 h LEU 56 Cb 0.84 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.57 1bu9 h LEU 56 CO -0.72 -0.01 0.04 0.25 0.09 0.00 0.00 178.44 178.10 1bu9 h LEU 57 N -1.12 -0.30 -0.73 1.67 7.12 0.48 -0.92 115.31 121.51 1bu9 h LEU 57 Ca -0.05 0.20 0.13 0.00 0.13 0.00 0.00 57.88 58.29 1bu9 h LEU 57 Cb 0.44 0.35 -0.13 0.00 -0.53 0.00 0.00 40.66 40.78 1bu9 h LEU 57 CO 0.09 -0.19 -0.29 -0.07 -0.13 0.00 0.00 178.44 177.85 1bu9 h LEU 58 N 0.11 -1.04 -1.72 2.25 -0.00 0.32 0.87 115.31 116.11 1bu9 h LEU 58 Ca 0.45 0.24 0.01 0.00 -0.00 0.00 0.00 57.88 58.58 1bu9 h LEU 58 Cb 0.83 0.57 -0.01 0.00 -0.00 0.00 0.00 40.66 42.05 1bu9 h LEU 58 CO -0.69 -0.28 0.20 -0.09 -0.00 0.00 0.00 178.44 177.57 1bu9 h ARG 59 N -0.07 0.38 0.00 1.13 9.65 -1.25 -3.44 114.38 120.78 1bu9 h ARG 59 Ca 0.31 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1bu9 h ARG 59 Cb 0.57 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1bu9 h ARG 59 CO -0.78 0.25 0.00 0.41 2.80 0.00 0.00 179.97 182.65 1bu9 n GLY 60 N -1.50 0.00 3.74 2.80 0.00 0.29 -5.13 105.19 105.39 1bu9 n GLY 60 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 3.34 -0.19 4.61 0.00 -0.66 -4.93 121.76 123.93 1bu9 s ALA 61 Ca 0.00 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 1bu9 s ALA 61 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1bu9 s ALA 61 CO 0.00 -0.11 0.67 1.21 0.00 0.00 0.00 175.76 177.52 1bu9 s ASN 62 N -0.27 6.74 0.37 0.00 2.47 -1.26 -4.60 114.94 118.39 1bu9 s ASN 62 Ca 0.47 0.90 0.06 0.00 0.42 0.00 0.00 52.86 54.71 1bu9 s ASN 62 Cb -0.28 -2.37 0.72 0.00 -1.45 0.00 0.00 41.25 37.87 1bu9 s ASN 62 CO 0.34 -0.29 1.96 1.55 -3.72 0.00 0.00 177.10 176.94 1bu9 h PRO 63 N 7.44 0.54 0.00 0.43 0.13 -1.81 -0.55 132.00 138.18 1bu9 h PRO 63 Ca -0.31 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1bu9 h PRO 63 Cb 1.14 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1bu9 h PRO 63 CO 0.78 0.47 0.00 -3.47 -0.23 0.00 0.00 178.00 175.55 1bu9 n ASP 64 N -4.37 0.00 -4.53 1.44 -0.08 -1.26 -0.56 116.55 107.19 1bu9 n ASP 64 Ca 0.02 -0.67 -0.21 0.00 -1.51 0.00 0.00 54.79 52.42 1bu9 n ASP 64 Cb 0.16 -0.03 -0.15 0.00 2.34 0.00 0.00 41.12 43.44 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 -1.03 0.14 -4.62 -2.67 4.77 -0.22 -4.45 117.00 108.92 1bu9 n LEU 65 Ca 0.17 -0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 55.04 1bu9 n LEU 65 Cb 0.09 -1.05 0.19 0.00 -2.33 0.00 0.00 43.42 40.32 1bu9 n LEU 65 CO 0.14 -1.82 0.61 -0.75 -1.33 0.00 0.00 177.39 174.23 1bu9 s LYS 66 N 7.97 0.21 0.00 3.23 2.47 -1.26 -2.69 119.74 129.67 1bu9 s LYS 66 Ca 1.16 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 56.36 1bu9 s LYS 66 Cb -0.58 -1.69 0.00 0.00 -1.46 0.00 0.00 37.83 34.10 1bu9 s LYS 66 CO 0.36 -2.95 0.00 -0.40 0.16 0.00 0.00 175.35 172.52 1bu9 n ASP 67 N -4.37 1.91 -0.36 1.43 5.75 -0.99 -4.73 116.55 115.18 1bu9 n ASP 67 Ca 0.05 -0.47 0.03 0.00 -0.01 0.00 0.00 54.79 54.39 1bu9 n ASP 67 Cb 0.55 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.82 1bu9 n ASP 67 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1bu9 h ARG 68 N 0.00 1.10 -0.95 0.11 1.12 -1.57 0.53 114.38 114.72 1bu9 h ARG 68 Ca 0.00 -0.07 -0.09 0.00 -1.11 0.00 0.00 59.98 58.72 1bu9 h ARG 68 Cb 0.00 -0.25 -0.05 0.00 -0.01 0.00 0.00 29.97 29.66 1bu9 h ARG 68 CO 0.00 0.73 0.11 0.25 -3.11 0.00 0.00 179.97 177.95 1bu9 n THR 69 N -4.53 1.28 -3.97 0.20 -2.24 -1.26 -4.82 114.28 98.94 1bu9 n THR 69 Ca 0.15 -0.48 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 1bu9 n THR 69 Cb 0.20 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 1bu9 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bu9 n GLY 70 N 0.09 -0.25 3.21 3.38 0.00 0.18 -4.28 105.19 107.52 1bu9 n GLY 70 Ca 0.13 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1bu9 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 71 N -3.87 3.33 0.52 1.61 0.40 -1.26 -2.45 117.98 116.27 1bu9 s PHE 71 Ca 0.09 -1.77 -0.22 0.00 -0.60 0.00 0.00 56.93 54.43 1bu9 s PHE 71 Cb -0.05 -2.49 -0.06 0.00 0.51 0.00 0.00 43.02 40.93 1bu9 s PHE 71 CO 0.89 -0.81 1.25 0.00 0.70 0.00 0.00 175.22 177.24 1bu9 n ALA 72 N 4.72 1.19 -0.38 5.36 0.00 -1.24 -2.35 120.51 127.81 1bu9 n ALA 72 Ca -0.10 0.14 0.35 0.00 0.00 0.00 0.00 53.44 53.83 1bu9 n ALA 72 Cb 0.43 -2.28 0.70 0.00 0.00 0.00 0.00 19.45 18.31 1bu9 n ALA 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bu9 h VAL 73 N 1.42 0.35 -0.95 0.00 2.07 -0.61 3.05 116.25 121.58 1bu9 h VAL 73 Ca -0.49 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1bu9 h VAL 73 Cb 1.31 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1bu9 h VAL 73 CO 0.57 0.02 0.62 0.40 0.02 0.00 0.00 177.57 179.19 1bu9 h ILE 74 N 0.09 1.17 -0.08 4.57 2.04 -1.82 -1.05 117.51 122.43 1bu9 h ILE 74 Ca 0.65 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 66.10 1bu9 h ILE 74 Cb 2.35 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1bu9 h ILE 74 CO -0.11 0.22 -0.12 0.45 0.00 0.00 0.00 178.15 178.60 1bu9 h HIS 75 N 1.21 -0.36 -1.18 1.37 3.86 0.53 0.68 115.15 121.25 1bu9 h HIS 75 Ca 0.37 0.02 0.44 0.00 -1.16 0.00 0.00 60.37 60.04 1bu9 h HIS 75 Cb -0.02 0.17 -0.15 0.00 1.06 0.00 0.00 27.41 28.47 1bu9 h HIS 75 CO -0.01 -0.11 0.72 -0.25 0.86 0.00 0.00 177.93 179.15 1bu9 n ASP 76 N -3.26 0.25 -0.04 2.45 8.00 -0.83 0.28 116.55 123.41 1bu9 n ASP 76 Ca -0.01 1.41 -0.16 0.00 0.71 0.00 0.00 54.79 56.75 1bu9 n ASP 76 Cb 0.07 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.40 1bu9 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bu9 h ALA 77 N 1.65 0.23 0.01 2.24 0.00 0.15 -3.33 119.26 120.21 1bu9 h ALA 77 Ca 0.83 -0.49 -0.35 0.00 0.00 0.00 0.00 54.91 54.89 1bu9 h ALA 77 Cb 2.50 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.22 1bu9 h ALA 77 CO -0.55 0.40 -1.95 0.00 0.00 0.00 0.00 179.25 177.15 1bu9 n ALA 78 N -2.54 1.01 -0.31 0.00 0.00 0.31 0.32 120.51 119.30 1bu9 n ALA 78 Ca -0.07 -0.80 -0.06 0.00 0.00 0.00 0.00 53.44 52.50 1bu9 n ALA 78 Cb 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 -4.22 -0.29 0.09 0.00 0.00 0.81 -0.06 116.66 113.00 1bu9 n ARG 79 Ca -0.43 1.14 -0.13 0.00 -0.00 0.00 0.00 57.85 58.44 1bu9 n ARG 79 Cb 0.82 -1.69 -0.10 0.00 0.00 0.00 0.00 32.46 31.49 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 0.57 0.24 0.00 5.13 0.00 -1.72 -3.44 119.26 120.05 1bu9 h ALA 80 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1bu9 h ALA 80 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bu9 h ALA 80 CO -0.72 0.98 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1bu9 n GLY 81 N 1.31 0.46 2.78 0.00 0.00 0.92 -5.08 105.19 105.57 1bu9 n GLY 81 Ca -0.06 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1bu9 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 82 N -0.12 2.73 -0.02 1.61 0.08 0.95 -4.98 117.98 118.23 1bu9 s PHE 82 Ca 0.00 -2.94 -0.23 0.00 0.12 0.00 0.00 56.93 53.88 1bu9 s PHE 82 Cb 0.00 -2.23 -0.16 0.00 -0.57 0.00 0.00 43.02 40.07 1bu9 s PHE 82 CO 0.00 -0.67 1.04 1.25 -0.10 0.00 0.00 175.22 176.74 1bu9 h LEU 83 N 5.88 -0.27 -1.70 -0.37 6.46 -1.93 0.10 115.31 123.48 1bu9 h LEU 83 Ca 0.10 -0.26 0.18 0.00 -0.12 0.00 0.00 57.88 57.79 1bu9 h LEU 83 Cb 0.84 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1bu9 h LEU 83 CO 0.60 0.19 0.69 0.44 -0.62 0.00 0.00 178.44 179.74 1bu9 h ASP 84 N -0.82 0.00 0.59 1.25 5.19 -1.93 3.25 116.42 123.95 1bu9 h ASP 84 Ca -0.03 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.10 1bu9 h ASP 84 Cb 0.51 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.03 1bu9 h ASP 84 CO 0.05 0.00 -1.23 0.74 -3.12 0.00 0.00 179.24 175.69 1bu9 h THR 85 N 0.00 1.48 0.00 0.35 2.02 -1.76 -2.34 112.91 112.67 1bu9 h THR 85 Ca 0.29 -2.99 -0.07 0.00 0.77 0.00 0.00 66.41 64.42 1bu9 h THR 85 Cb 1.68 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 70.98 1bu9 h THR 85 CO -0.00 0.87 -0.33 0.25 0.37 0.00 0.00 175.52 176.68 1bu9 h LEU 86 N 0.09 0.00 -0.70 2.58 6.46 0.81 -1.66 115.31 122.89 1bu9 h LEU 86 Ca -0.14 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.50 1bu9 h LEU 86 Cb 1.94 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.86 1bu9 h LEU 86 CO 0.20 0.33 -0.37 1.56 -0.62 0.00 0.00 178.44 179.54 1bu9 h GLN 87 N 0.00 0.57 0.30 1.25 4.20 0.11 -0.78 115.11 120.76 1bu9 h GLN 87 Ca -0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1bu9 h GLN 87 Cb 0.62 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1bu9 h GLN 87 CO 0.04 0.86 -0.15 1.15 -0.67 0.00 0.00 178.83 180.05 1bu9 h THR 88 N 0.48 0.00 -0.10 -0.54 2.02 -0.76 0.14 112.91 114.15 1bu9 h THR 88 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1bu9 h THR 88 Cb 0.86 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 1bu9 h THR 88 CO 0.07 0.00 -0.48 -0.07 0.37 0.00 0.00 175.52 175.41 1bu9 h LEU 89 N -0.41 -1.53 -0.64 2.58 3.38 -1.52 1.30 115.31 118.47 1bu9 h LEU 89 Ca -0.04 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1bu9 h LEU 89 Cb 0.32 0.60 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1bu9 h LEU 89 CO 0.06 -0.44 -0.50 0.25 0.09 0.00 0.00 178.44 177.90 1bu9 h LEU 90 N -0.53 -1.75 -1.77 1.67 5.85 -1.15 1.76 115.31 119.38 1bu9 h LEU 90 Ca 0.03 0.27 0.10 0.00 0.84 0.00 0.00 57.88 59.11 1bu9 h LEU 90 Cb 0.61 0.77 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1bu9 h LEU 90 CO -0.38 -0.33 0.34 -0.08 -0.34 0.00 0.00 178.44 177.65 1bu9 h GLU 91 N -0.22 0.25 -1.11 1.25 4.57 0.20 -0.61 114.58 118.91 1bu9 h GLU 91 Ca 0.15 -0.02 -0.41 0.00 -1.18 0.00 0.00 59.36 57.91 1bu9 h GLU 91 Cb 0.54 -0.06 -0.21 0.00 -0.16 0.00 0.00 28.75 28.87 1bu9 h GLU 91 CO -0.73 0.17 0.52 1.19 -1.18 0.00 0.00 179.01 178.97 1bu9 n PHE 92 N -4.46 2.19 -3.10 0.92 3.72 0.58 -4.87 117.46 112.45 1bu9 n PHE 92 Ca 0.08 -1.82 -0.14 0.00 -0.05 0.00 0.00 57.45 55.53 1bu9 n PHE 92 Cb 0.39 -0.90 0.07 0.00 -0.94 0.00 0.00 39.48 38.09 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 -0.48 -3.17 -3.73 -1.08 6.02 -0.15 -4.59 117.38 110.21 1bu9 n GLN 93 Ca 0.43 0.76 -0.38 0.00 -0.01 0.00 0.00 57.00 57.79 1bu9 n GLN 93 Cb 1.05 -5.35 -0.12 0.00 1.02 0.00 0.00 30.24 26.84 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 -3.33 3.10 -0.97 -1.58 0.00 -0.00 -4.55 121.76 114.42 1bu9 s ALA 94 Ca 0.28 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1bu9 s ALA 94 Cb -0.04 -2.35 -0.21 0.00 0.00 0.00 0.00 23.12 20.52 1bu9 s ALA 94 CO 0.65 -1.43 2.62 -0.25 0.00 0.00 0.00 175.76 177.35 1bu9 n ASP 95 N 4.81 0.28 0.13 0.00 9.92 -1.26 -4.39 116.55 126.04 1bu9 n ASP 95 Ca -0.11 0.18 0.19 0.00 -0.53 0.00 0.00 54.79 54.51 1bu9 n ASP 95 Cb 0.44 -0.89 0.69 0.00 -0.64 0.00 0.00 41.12 40.72 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 7.76 0.21 -0.89 2.53 3.04 -1.96 1.75 116.25 128.69 1bu9 h VAL 96 Ca -0.05 0.00 -0.49 0.00 -1.01 0.00 0.00 66.70 65.15 1bu9 h VAL 96 Cb 1.27 0.54 -0.28 0.00 -2.01 0.00 0.00 31.29 30.82 1bu9 h VAL 96 CO 1.35 0.00 0.54 0.59 -1.01 0.00 0.00 177.57 179.04 1bu9 n ASN 97 N -3.38 4.13 -4.60 3.17 5.03 -1.26 -4.55 115.26 113.80 1bu9 n ASN 97 Ca 0.06 -3.67 -0.43 0.00 0.87 0.00 0.00 54.58 51.41 1bu9 n ASN 97 Cb 0.69 -0.82 -0.02 0.00 -1.02 0.00 0.00 39.78 38.61 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 -3.54 4.02 0.00 2.41 -1.16 0.59 -4.87 121.20 118.65 1bu9 s ILE 98 Ca 0.56 1.05 0.00 0.00 -0.51 0.00 0.00 60.65 61.75 1bu9 s ILE 98 Cb 0.47 -4.32 0.00 0.00 0.61 0.00 0.00 42.46 39.22 1bu9 s ILE 98 CO 0.07 -0.80 0.00 -0.62 -2.81 0.00 0.00 174.94 170.78 1bu9 n GLU 99 N 7.92 3.16 0.00 3.50 1.02 -1.25 -3.03 120.64 131.96 1bu9 n GLU 99 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 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 0.00 -1.29 1.62 5.75 0.15 -3.68 116.55 119.10 1bu9 n ASP 100 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 1bu9 n ASP 100 Cb 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.30 1bu9 n ASP 100 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bu9 n ASN 101 N 0.00 3.56 0.00 -1.12 0.23 -1.03 -4.33 115.26 112.57 1bu9 n ASN 101 Ca 0.00 -2.53 0.00 0.00 -0.53 0.00 0.00 54.58 51.52 1bu9 n ASN 101 Cb 0.00 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.09 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1bu9 n GLU 102 N 0.28 0.00 0.00 -3.83 1.02 -1.26 -5.05 120.64 111.80 1bu9 n GLU 102 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1bu9 n GLU 102 Cb 0.79 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 32.17 1bu9 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bu9 n GLY 103 N 0.87 0.00 3.79 0.62 0.00 -1.26 -3.63 105.19 105.58 1bu9 n GLY 103 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1bu9 n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bu9 s ASN 104 N 0.00 6.90 0.49 1.61 2.20 -1.26 -4.31 114.94 120.56 1bu9 s ASN 104 Ca 0.00 1.93 0.06 0.00 -0.94 0.00 0.00 52.86 53.91 1bu9 s ASN 104 Cb 0.00 -2.57 0.01 0.00 -2.00 0.00 0.00 41.25 36.68 1bu9 s ASN 104 CO 0.00 -0.39 0.35 -0.76 -2.94 0.00 0.00 177.10 173.36 1bu9 s LEU 105 N -2.64 2.91 0.38 3.54 1.43 -1.26 0.30 118.68 123.35 1bu9 s LEU 105 Ca 0.57 -1.12 0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1bu9 s LEU 105 Cb -0.19 -1.41 1.14 0.00 0.03 0.00 0.00 46.19 45.77 1bu9 s LEU 105 CO 0.24 -0.90 1.60 1.55 0.23 0.00 0.00 176.35 179.07 1bu9 h PRO 106 N 0.95 0.00 0.14 1.29 0.13 -1.81 0.79 132.00 133.49 1bu9 h PRO 106 Ca -0.39 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.45 1bu9 h PRO 106 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1bu9 h PRO 106 CO 0.60 0.00 -1.31 1.25 -0.23 0.00 0.00 178.00 178.31 1bu9 h LEU 107 N 0.00 0.46 0.35 1.56 5.85 -1.88 -2.29 115.31 119.36 1bu9 h LEU 107 Ca 0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1bu9 h LEU 107 Cb 0.27 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1bu9 h LEU 107 CO 0.00 1.40 -0.17 0.45 -0.34 0.00 0.00 178.44 179.78 1bu9 h HIS 108 N 0.08 -0.44 -0.16 1.25 3.86 0.30 -2.48 115.15 117.57 1bu9 h HIS 108 Ca -0.16 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1bu9 h HIS 108 Cb 2.00 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 30.57 1bu9 h HIS 108 CO 0.07 -0.10 -0.12 -0.07 0.86 0.00 0.00 177.93 178.57 1bu9 h LEU 109 N -0.90 -0.39 -1.78 2.43 4.07 -1.47 1.03 115.31 118.30 1bu9 h LEU 109 Ca -0.05 0.08 0.24 0.00 0.08 0.00 0.00 57.88 58.23 1bu9 h LEU 109 Cb 0.53 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 1bu9 h LEU 109 CO 0.08 -0.16 0.76 0.00 -1.08 0.00 0.00 178.44 178.04 1bu9 h ALA 110 N 0.98 2.64 0.08 1.53 0.00 -1.45 2.59 119.26 125.64 1bu9 h ALA 110 Ca 0.10 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1bu9 h ALA 110 Cb 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1bu9 h ALA 110 CO -0.24 -1.17 -1.26 0.00 0.00 0.00 0.00 179.25 176.58 1bu9 h ALA 111 N 1.25 0.24 -0.71 0.00 0.00 0.14 2.39 119.26 122.56 1bu9 h ALA 111 Ca 0.39 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1bu9 h ALA 111 Cb 1.89 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1bu9 h ALA 111 CO -0.00 1.12 0.41 -0.22 0.00 0.00 0.00 179.25 180.56 1bu9 h LYS 112 N 0.05 0.98 0.00 0.00 3.64 0.82 -1.91 116.57 120.14 1bu9 h LYS 112 Ca -0.13 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1bu9 h LYS 112 Cb 1.93 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 1bu9 h LYS 112 CO 0.17 0.70 -1.08 0.93 -2.27 0.00 0.00 179.45 177.90 1bu9 h GLU 113 N 0.99 0.00 0.00 1.90 4.39 -1.12 -3.48 114.58 117.26 1bu9 h GLU 113 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1bu9 h GLU 113 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1bu9 h GLU 113 CO -0.05 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1bu9 n GLY 114 N 1.23 1.06 3.31 -3.84 0.00 0.48 -4.93 105.19 102.50 1bu9 n GLY 114 Ca -0.02 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.47 0.79 0.00 1.61 8.25 0.78 -4.75 115.22 119.42 1bu9 n HIS 115 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 1bu9 n HIS 115 Cb 0.17 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.13 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 8.23 0.00 -0.64 2.41 0.00 -1.26 0.89 117.00 126.63 1bu9 n LEU 116 Ca 0.47 0.46 0.49 0.00 0.00 0.00 0.00 56.01 57.43 1bu9 n LEU 116 Cb 0.40 0.00 0.76 0.00 0.00 0.00 0.00 43.42 44.59 1bu9 n LEU 116 CO 1.12 0.00 1.38 -1.14 0.00 0.00 0.00 177.39 178.74 1bu9 n ARG 117 N -0.67 -0.01 0.00 1.96 0.00 -1.26 0.13 116.66 116.81 1bu9 n ARG 117 Ca 0.00 1.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.91 1bu9 n ARG 117 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.07 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1bu9 n VAL 118 N -3.97 0.00 -0.24 5.15 0.31 -0.62 -2.58 118.33 116.37 1bu9 n VAL 118 Ca 0.42 0.92 0.24 0.00 -0.01 0.00 0.00 64.34 65.91 1bu9 n VAL 118 Cb 1.86 -1.89 0.60 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.58 -0.92 2.52 2.07 0.28 1.72 116.25 122.51 1bu9 h VAL 119 Ca 0.00 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 67.65 1bu9 h VAL 119 Cb 0.00 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1bu9 h VAL 119 CO 0.00 0.04 0.61 -0.08 0.02 0.00 0.00 177.57 178.16 1bu9 h GLU 120 N 0.24 0.38 0.37 1.57 4.22 0.10 0.94 114.58 122.40 1bu9 h GLU 120 Ca 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 1bu9 h GLU 120 Cb 1.50 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1bu9 h GLU 120 CO -0.13 0.25 -0.18 0.35 -2.18 0.00 0.00 179.01 177.12 1bu9 h PHE 121 N 0.39 -0.46 -1.25 0.92 3.57 0.29 -2.63 116.94 117.77 1bu9 h PHE 121 Ca 0.48 -0.01 0.36 0.00 3.53 0.00 0.00 57.97 62.33 1bu9 h PHE 121 Cb 1.23 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 1bu9 h PHE 121 CO -0.00 -0.29 0.90 -0.07 -2.23 0.00 0.00 178.31 176.62 1bu9 h LEU 122 N -0.94 0.03 -0.75 0.59 3.38 -1.23 2.19 115.31 118.58 1bu9 h LEU 122 Ca -0.05 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1bu9 h LEU 122 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1bu9 h LEU 122 CO 0.08 0.00 -0.29 1.62 0.09 0.00 0.00 178.44 179.95 1bu9 h VAL 123 N 0.02 0.61 -1.29 1.22 3.04 -0.78 -3.32 116.25 115.74 1bu9 h VAL 123 Ca 0.60 -1.40 -0.53 0.00 -1.01 0.00 0.00 66.70 64.36 1bu9 h VAL 123 Cb 2.37 1.95 -0.04 0.00 -2.01 0.00 0.00 31.29 33.56 1bu9 h VAL 123 CO -0.03 0.28 -0.38 -0.54 -1.01 0.00 0.00 177.57 175.90 1bu9 s LYS 124 N -3.45 2.40 0.00 4.17 3.01 0.74 -4.40 119.74 122.21 1bu9 s LYS 124 Ca 0.02 -1.71 0.00 0.00 -1.01 0.00 0.00 55.97 53.27 1bu9 s LYS 124 Cb 0.09 -2.24 0.00 0.00 -1.01 0.00 0.00 37.83 34.67 1bu9 s LYS 124 CO 0.67 -0.30 0.00 0.72 0.51 0.00 0.00 175.35 176.95 1bu9 n HIS 125 N -1.56 0.00 -1.92 3.18 8.25 -1.26 -4.80 115.22 117.12 1bu9 n HIS 125 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1bu9 n HIS 125 Cb 0.63 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.82 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 0.57 1.59 -2.24 -1.26 -4.94 114.28 108.00 1bu9 n THR 126 Ca 0.00 -0.61 0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1bu9 n THR 126 Cb 0.00 -1.46 0.14 0.00 -2.10 0.00 0.00 70.33 66.91 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 -3.19 2.83 -1.04 6.98 0.00 -1.26 -4.94 120.51 119.89 1bu9 n ALA 127 Ca -0.09 -0.63 0.10 0.00 0.00 0.00 0.00 53.44 52.83 1bu9 n ALA 127 Cb 0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 0.25 -4.90 -2.36 0.00 7.64 -1.25 -4.43 113.62 108.57 1bu9 n SER 128 Ca 0.10 0.59 -0.32 0.00 1.01 0.00 0.00 58.87 60.25 1bu9 n SER 128 Cb 0.48 -3.32 0.05 0.00 -1.01 0.00 0.00 64.21 60.41 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 -4.19 6.50 -4.17 6.43 6.94 -1.26 -4.92 115.26 120.58 1bu9 n ASN 129 Ca -0.02 -3.78 -0.12 0.00 -0.02 0.00 0.00 54.58 50.64 1bu9 n ASN 129 Cb 0.60 -0.74 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 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 -0.74 0.00 0.00 3.53 0.24 -1.26 0.13 118.33 120.23 1bu9 n VAL 130 Ca 0.53 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 1bu9 n VAL 130 Cb 0.68 -1.12 0.00 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 5.15 0.66 3.51 7.63 0.00 -1.07 -4.92 105.19 116.14 1bu9 n GLY 131 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1bu9 n GLY 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bu9 n HIS 132 N 0.00 0.47 -2.21 1.61 -0.00 0.35 -4.87 115.22 110.57 1bu9 n HIS 132 Ca 0.00 -0.47 -0.43 0.00 -0.00 0.00 0.00 57.72 56.83 1bu9 n HIS 132 Cb 0.00 -1.48 -0.02 0.00 -0.00 0.00 0.00 29.99 28.48 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 7.44 4.16 0.00 1.57 0.52 -1.26 -3.21 118.95 128.17 1bu9 s ARG 133 Ca 0.73 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 1bu9 s ARG 133 Cb 0.08 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.65 1bu9 s ARG 133 CO 0.28 -0.84 0.00 0.27 0.02 0.00 0.00 175.30 175.03 1bu9 n ASN 134 N 7.05 0.00 0.04 0.23 6.94 -1.20 -4.40 115.26 123.93 1bu9 n ASN 134 Ca 0.16 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.61 1bu9 n ASN 134 Cb 0.44 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.35 -0.15 0.00 -2.53 3.86 -1.80 -2.26 115.15 111.92 1bu9 h HIS 135 Ca 0.00 0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 1bu9 h HIS 135 Cb 0.00 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1bu9 h HIS 135 CO 0.00 -0.10 -0.85 -0.22 0.86 0.00 0.00 177.93 177.62 1bu9 h LYS 136 N -0.10 0.00 0.00 2.45 3.64 -1.90 -3.47 116.57 117.19 1bu9 h LYS 136 Ca 0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1bu9 h LYS 136 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1bu9 h LYS 136 CO -0.08 0.85 0.00 0.41 -2.27 0.00 0.00 179.45 178.37 1bu9 n GLY 137 N 0.92 1.16 3.56 5.01 0.00 -0.85 -5.01 105.19 109.98 1bu9 n GLY 137 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.87 4.40 1.12 1.61 1.11 -1.26 -3.66 116.67 119.10 1bu9 s ASP 138 Ca 0.00 -0.32 -0.13 0.00 0.18 0.00 0.00 52.55 52.28 1bu9 s ASP 138 Cb 0.00 -2.56 0.20 0.00 1.07 0.00 0.00 42.92 41.64 1bu9 s ASP 138 CO 0.00 -3.44 0.46 0.35 1.18 0.00 0.00 175.17 173.72 1bu9 n THR 139 N 8.42 0.00 0.01 -1.27 -2.24 -1.25 -3.22 114.28 114.71 1bu9 n THR 139 Ca 0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 1bu9 n THR 139 Cb 0.45 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -4.29 1.11 -0.09 6.98 0.00 -1.20 -2.01 120.51 121.02 1bu9 n ALA 140 Ca -0.10 -0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1bu9 n ALA 140 Cb 0.32 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.39 0.00 -0.04 0.00 8.00 -0.85 -1.37 116.55 118.90 1bu9 n ASP 142 Ca -0.42 0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.16 1bu9 n ASP 142 Cb 1.00 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.32 0.97 0.20 0.64 4.77 -0.86 -3.03 117.00 118.36 1bu9 n LEU 143 Ca 0.08 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1bu9 n LEU 143 Cb 0.15 -0.70 0.69 0.00 -2.33 0.00 0.00 43.42 41.23 1bu9 n LEU 143 CO 0.14 -0.48 0.90 0.00 -1.33 0.00 0.00 177.39 176.61 1bu9 h ALA 144 N -1.47 1.02 0.10 -1.18 0.00 -1.55 -1.87 119.26 114.32 1bu9 h ALA 144 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bu9 h ALA 144 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bu9 h ALA 144 CO 0.00 -0.02 -0.05 -0.09 0.00 0.00 0.00 179.25 179.09 1bu9 h ARG 145 N 0.00 -0.13 -0.62 0.00 2.43 -1.36 0.30 114.38 114.99 1bu9 h ARG 145 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1bu9 h ARG 145 Cb 0.06 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1bu9 h ARG 145 CO 0.00 0.08 0.41 -0.07 -1.51 0.00 0.00 179.97 178.88 1bu9 h LEU 146 N -1.01 0.71 -1.69 3.80 4.07 -1.37 -0.28 115.31 119.53 1bu9 h LEU 146 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1bu9 h LEU 146 Cb 0.27 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1bu9 h LEU 146 CO 0.02 0.51 0.00 1.88 -1.08 0.00 0.00 178.44 179.77 1bu9 h TYR 147 N 0.83 0.00 0.00 1.13 0.05 -1.46 -3.46 116.97 114.07 1bu9 h TYR 147 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 1bu9 h TYR 147 Cb -0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1bu9 h TYR 147 CO -0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1bu9 n GLY 148 N -0.31 1.89 3.56 3.88 0.00 -0.12 -5.02 105.19 109.08 1bu9 n GLY 148 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.63 2.53 -0.10 1.61 3.00 0.11 -4.75 118.95 120.71 1bu9 s ARG 149 Ca 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 55.73 55.07 1bu9 s ARG 149 Cb 0.00 -5.09 -0.28 0.00 0.00 0.00 0.00 34.95 29.58 1bu9 s ARG 149 CO 0.00 -3.49 0.81 -2.95 0.00 0.00 0.00 175.30 169.66 1bu9 h ASN 150 N 11.07 0.23 -0.88 0.23 7.08 -1.89 -1.85 115.58 129.58 1bu9 h ASN 150 Ca 0.11 -0.96 0.26 0.00 -3.08 0.00 0.00 56.30 52.63 1bu9 h ASN 150 Cb 0.99 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 37.12 1bu9 h ASN 150 CO 1.21 1.22 0.81 -0.08 -2.08 0.00 0.00 177.43 178.51 1bu9 h GLU 151 N -0.69 0.00 0.09 4.14 4.57 -1.93 2.50 114.58 123.25 1bu9 h GLU 151 Ca -0.08 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.80 1bu9 h GLU 151 Cb 1.33 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 1bu9 h GLU 151 CO 0.07 0.00 -1.52 0.28 -1.18 0.00 0.00 179.01 176.66 1bu9 h VAL 152 N 0.00 1.14 0.17 0.32 2.07 -1.86 -2.76 116.25 115.34 1bu9 h VAL 152 Ca 0.42 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 1bu9 h VAL 152 Cb 2.04 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 34.51 1bu9 h VAL 152 CO -0.00 0.79 -0.08 0.58 0.02 0.00 0.00 177.57 178.87 1bu9 h VAL 153 N 0.05 0.00 -1.10 2.57 2.07 0.48 -3.06 116.25 117.27 1bu9 h VAL 153 Ca -0.23 -0.13 0.30 0.00 0.82 0.00 0.00 66.70 67.47 1bu9 h VAL 153 Cb 1.99 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.66 1bu9 h VAL 153 CO 0.14 0.00 0.71 -1.28 0.02 0.00 0.00 177.57 177.16 1bu9 h SER 154 N -0.36 0.39 -0.49 0.57 0.87 0.08 0.72 113.55 115.34 1bu9 h SER 154 Ca -0.02 0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1bu9 h SER 154 Cb 0.18 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 62.08 1bu9 h SER 154 CO 0.04 0.03 -0.47 0.25 -0.53 0.00 0.00 176.83 176.14 1bu9 h LEU 155 N 0.31 -1.60 0.00 2.23 7.12 -1.39 1.50 115.31 123.48 1bu9 h LEU 155 Ca 0.64 0.24 -0.07 0.00 0.13 0.00 0.00 57.88 58.82 1bu9 h LEU 155 Cb 1.75 0.70 -0.01 0.00 -0.53 0.00 0.00 40.66 42.56 1bu9 h LEU 155 CO -0.31 -0.36 -0.39 0.24 -0.13 0.00 0.00 178.44 177.48 1bu9 h MET 156 N -0.30 0.00 -0.75 1.25 2.86 -0.67 -1.92 114.93 115.40 1bu9 h MET 156 Ca 0.13 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.94 1bu9 h MET 156 Cb 0.58 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.12 1bu9 h MET 156 CO -0.63 0.94 0.14 1.96 1.06 0.00 0.00 176.91 180.38 1bu9 h GLN 157 N -1.00 0.22 -0.21 1.72 4.20 0.44 0.39 115.11 120.87 1bu9 h GLN 157 Ca -0.11 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.40 1bu9 h GLN 157 Cb 1.05 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1bu9 h GLN 157 CO -0.06 0.14 -0.64 0.00 -0.67 0.00 0.00 178.83 177.60 1bu9 h ALA 158 N 1.64 0.47 -0.06 3.87 0.00 0.20 -3.20 119.26 122.19 1bu9 h ALA 158 Ca 0.42 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1bu9 h ALA 158 Cb 0.74 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1bu9 h ALA 158 CO -0.55 0.69 -0.10 0.09 0.00 0.00 0.00 179.25 179.38 1bu9 n ASN 159 N -3.96 5.45 -4.26 0.00 3.02 0.41 -4.76 115.26 111.16 1bu9 n ASN 159 Ca -0.05 -2.53 -0.32 0.00 -0.03 0.00 0.00 54.58 51.65 1bu9 n ASN 159 Cb 0.67 -1.24 -0.08 0.00 -0.61 0.00 0.00 39.78 38.52 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 1.77 -0.20 0.00 7.41 0.00 -1.07 -4.75 105.19 108.35 1bu9 n GLY 160 Ca 0.21 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.62 1.03 -1.00 4.61 0.00 0.11 -4.68 120.51 115.96 1bu9 n ALA 161 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1bu9 n ALA 161 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 0.67 -3.28 3.11 0.00 0.00 -0.60 -2.61 105.19 102.48 1bu9 n GLY 162 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 0.10 -2.63 2.71 -0.02 0.00 -1.26 -4.00 105.19 100.09 1bu9 n GLY 163 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.01 -2.74 -1.96 4.61 0.00 -1.26 -4.80 120.51 110.34 1bu9 n ALA 164 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 53.44 52.61 1bu9 n ALA 164 Cb 0.62 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 1bu9 n ALA 164 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bu9 s THR 165 N 0.78 3.41 -0.62 0.00 -4.23 -1.26 -4.77 115.64 108.95 1bu9 s THR 165 Ca 0.27 -0.63 0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1bu9 s THR 165 Cb 0.11 -4.29 0.25 0.00 1.34 0.00 0.00 72.50 69.90 1bu9 s THR 165 CO -0.10 -0.78 0.72 0.59 -0.54 0.00 0.00 174.62 174.51 1bu9 n ASN 166 N 15.42 3.42 -4.54 3.99 4.13 -1.26 -5.08 115.26 131.35 1bu9 n ASN 166 Ca 0.43 -3.37 -0.47 0.00 1.68 0.00 0.00 54.58 52.85 1bu9 n ASN 166 Cb 0.46 -0.67 -0.03 0.00 -1.54 0.00 0.00 39.78 38.01 1bu9 n ASN 166 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1bu9 n LEU 167 N 0.93 0.91 0.00 3.41 -0.00 -1.26 -5.30 117.00 115.69 1bu9 n LEU 167 Ca 0.29 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.45 1bu9 n LEU 167 Cb 0.42 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1bu9 n LEU 167 CO 0.38 -1.77 0.00 1.67 -0.00 0.00 0.00 177.39 177.67