#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3myb s PRO 4 N 0.00 2.57 0.45 3.49 0.02 -1.26 -4.91 135.00 135.36 3myb s PRO 4 Ca 0.00 1.87 0.17 0.00 0.02 0.00 0.00 61.00 63.05 3myb s PRO 4 Cb 0.00 -1.87 1.04 0.00 0.02 0.00 0.00 34.50 33.69 3myb s PRO 4 CO 0.00 -1.53 1.97 -0.07 -0.33 0.00 0.00 177.00 177.04 3myb h LEU 5 N 0.38 0.00 -7.44 -5.54 3.38 -1.95 -3.42 115.31 100.72 3myb h LEU 5 Ca -0.50 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.04 3myb h LEU 5 Cb 1.31 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.67 3myb h LEU 5 CO 0.53 0.21 -0.76 -0.22 0.09 0.00 0.00 178.44 178.28 3myb s LEU 6 N -8.25 0.55 0.27 1.67 2.96 -1.26 -0.35 118.68 114.26 3myb s LEU 6 Ca -0.03 -0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 3myb s LEU 6 Cb 0.15 -0.40 -0.08 0.00 0.50 0.00 0.00 46.19 46.35 3myb s LEU 6 CO 0.68 -0.21 0.69 -0.76 -1.32 0.00 0.00 176.35 175.43 3myb s LEU 7 N 2.00 4.18 -0.04 -0.68 1.43 -0.44 -4.91 118.68 120.21 3myb s LEU 7 Ca 0.05 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 54.37 3myb s LEU 7 Cb -0.12 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.31 3myb s LEU 7 CO -0.05 -0.09 0.06 -1.58 0.23 0.00 0.00 176.35 174.91 3myb s GLN 8 N -2.59 -0.02 0.07 1.70 0.74 -1.26 -1.01 119.66 117.29 3myb s GLN 8 Ca 0.49 0.35 0.05 0.00 0.05 0.00 0.00 55.36 56.30 3myb s GLN 8 Cb -0.12 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.39 3myb s GLN 8 CO 0.19 -0.33 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.94 3myb s ASP 9 N 2.15 1.75 -0.01 6.67 1.01 -0.51 -5.00 116.67 122.72 3myb s ASP 9 Ca 0.05 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 52.70 3myb s ASP 9 Cb -0.12 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 43.77 3myb s ASP 9 CO -0.03 -0.06 0.01 -0.60 0.21 0.00 0.00 175.17 174.70 3myb s ARG 10 N -1.72 0.04 0.40 8.23 3.52 -1.26 -0.64 118.95 127.51 3myb s ARG 10 Ca -0.01 0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 3myb s ARG 10 Cb -0.10 -0.20 0.08 0.00 -1.56 0.00 0.00 34.95 33.16 3myb s ARG 10 CO 0.02 -0.10 0.55 -0.40 -0.81 0.00 0.00 175.30 174.56 3myb n ASP 11 N 3.77 0.91 0.00 -2.12 5.68 -0.76 -4.99 116.55 119.04 3myb n ASP 11 Ca -0.22 -1.73 0.11 0.00 -0.50 0.00 0.00 54.79 52.45 3myb n ASP 11 Cb 0.54 -0.34 0.54 0.00 -1.14 0.00 0.00 41.12 40.72 3myb n ASP 11 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3myb n GLU 12 N -1.98 0.17 0.00 0.11 0.00 -1.26 -2.99 120.64 114.69 3myb n GLU 12 Ca 0.10 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.47 3myb n GLU 12 Cb 0.34 -1.50 0.32 0.00 0.00 0.00 0.00 31.44 30.61 3myb n GLU 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3myb n ARG 13 N -1.39 1.68 -1.00 3.44 1.74 -1.26 -4.93 116.66 114.93 3myb n ARG 13 Ca 0.08 -1.17 -0.00 0.00 -0.77 0.00 0.00 57.85 55.99 3myb n ARG 13 Cb 0.23 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3myb n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3myb n GLY 14 N 1.28 0.40 3.60 -0.13 0.00 -1.16 -4.55 105.19 104.63 3myb n GLY 14 Ca 0.15 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3myb n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3myb s VAL 15 N -2.00 5.06 -0.19 1.61 1.01 -1.26 -0.47 120.40 124.15 3myb s VAL 15 Ca 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3myb s VAL 15 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3myb s VAL 15 CO 0.00 -0.00 0.03 -0.69 0.00 0.00 0.00 175.10 174.43 3myb s VAL 16 N 2.33 4.33 -0.29 2.92 1.01 -0.41 -1.82 120.40 128.46 3myb s VAL 16 Ca 0.20 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3myb s VAL 16 Cb -0.16 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3myb s VAL 16 CO 0.11 0.44 0.14 -0.89 0.00 0.00 0.00 175.10 174.90 3myb s THR 17 N 0.67 4.73 -0.26 3.92 2.01 0.18 -0.90 115.64 125.99 3myb s THR 17 Ca 0.01 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 3myb s THR 17 Cb -0.14 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3myb s THR 17 CO 0.02 0.18 0.19 -0.76 -0.69 0.00 0.00 174.62 173.56 3myb s LEU 18 N 1.66 4.06 -0.30 4.42 1.43 -0.11 -1.42 118.68 128.41 3myb s LEU 18 Ca 0.06 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3myb s LEU 18 Cb -0.16 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 43.97 3myb s LEU 18 CO 0.07 -0.01 0.01 -0.89 0.23 0.00 0.00 176.35 175.76 3myb s THR 19 N 1.49 3.19 0.13 5.49 2.01 -0.18 -0.40 115.64 127.38 3myb s THR 19 Ca 0.08 -1.21 -0.34 0.00 0.31 0.00 0.00 61.69 60.53 3myb s THR 19 Cb -0.15 -2.77 -0.14 0.00 0.01 0.00 0.00 72.50 69.45 3myb s THR 19 CO 0.08 -0.04 1.61 0.18 -0.69 0.00 0.00 174.62 175.76 3myb n LEU 20 N 4.69 3.13 -2.73 4.42 4.77 -0.16 -1.33 117.00 129.80 3myb n LEU 20 Ca -0.14 1.07 -0.15 0.00 -0.03 0.00 0.00 56.01 56.76 3myb n LEU 20 Cb 0.45 -1.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.13 3myb n LEU 20 CO 0.28 -0.26 -0.06 -3.20 -1.33 0.00 0.00 177.39 172.82 3myb n ASN 21 N 3.79 2.22 -3.25 -1.43 5.15 0.52 -0.57 115.26 121.70 3myb n ASN 21 Ca 0.18 -3.03 -0.26 0.00 -0.60 0.00 0.00 54.58 50.86 3myb n ASN 21 Cb 0.29 -0.53 -0.06 0.00 -0.53 0.00 0.00 39.78 38.94 3myb n ASN 21 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3myb n ARG 22 N -0.10 2.46 -0.34 1.20 1.74 -1.26 -4.53 116.66 115.84 3myb n ARG 22 Ca 0.19 -4.51 0.03 0.00 -0.77 0.00 0.00 57.85 52.79 3myb n ARG 22 Cb 0.73 -2.11 0.20 0.00 -1.02 0.00 0.00 32.46 30.26 3myb n ARG 22 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3myb h PRO 23 N 3.75 1.09 0.00 5.56 0.13 -1.88 0.24 132.00 140.89 3myb h PRO 23 Ca 0.16 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 3myb h PRO 23 Cb 0.65 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3myb h PRO 23 CO 0.78 0.72 -0.43 1.96 -0.23 0.00 0.00 178.00 180.80 3myb h GLN 24 N 1.13 0.00 -0.54 0.86 4.20 -1.94 -2.39 115.11 116.43 3myb h GLN 24 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 3myb h GLN 24 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3myb h GLN 24 CO -0.15 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 3myb n ALA 25 N -2.32 2.73 -3.63 3.87 0.00 -0.68 -4.92 120.51 115.56 3myb n ALA 25 Ca -0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 53.44 52.34 3myb n ALA 25 Cb 0.54 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.99 3myb n ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3myb n PHE 26 N 0.55 -2.05 -2.86 0.00 3.72 -0.88 -2.31 117.46 113.64 3myb n PHE 26 Ca 0.14 0.70 -0.22 0.00 -0.05 0.00 0.00 57.45 58.02 3myb n PHE 26 Cb 0.49 -3.61 0.02 0.00 -0.94 0.00 0.00 39.48 35.44 3myb n PHE 26 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3myb n ASN 27 N -2.59 -6.02 -4.75 4.37 3.02 -0.01 -1.29 115.26 107.98 3myb n ASN 27 Ca 0.01 -0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 53.97 3myb n ASN 27 Cb 0.54 -4.90 0.03 0.00 -0.61 0.00 0.00 39.78 34.84 3myb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3myb s ALA 28 N -3.14 2.70 -1.39 5.41 0.00 -0.98 -4.55 121.76 119.82 3myb s ALA 28 Ca 0.22 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 3myb s ALA 28 Cb -0.10 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.62 3myb s ALA 28 CO 0.28 -1.18 2.14 1.28 0.00 0.00 0.00 175.76 178.27 3myb n LEU 29 N -1.21 6.95 -4.51 0.00 4.77 0.54 -4.79 117.00 118.74 3myb n LEU 29 Ca 0.12 -4.39 -0.29 0.00 -0.03 0.00 0.00 56.01 51.42 3myb n LEU 29 Cb 0.48 -1.57 0.24 0.00 -2.33 0.00 0.00 43.42 40.24 3myb n LEU 29 CO 0.48 1.32 0.54 -0.94 -1.33 0.00 0.00 177.39 177.46 3myb s SER 30 N 2.06 1.16 0.24 -1.43 1.04 -1.26 -3.84 113.70 111.67 3myb s SER 30 Ca 0.46 1.58 -0.05 0.00 0.48 0.00 0.00 55.95 58.41 3myb s SER 30 Cb 0.13 -2.32 0.39 0.00 0.10 0.00 0.00 66.02 64.31 3myb s SER 30 CO -0.05 -4.10 1.79 -0.33 0.98 0.00 0.00 173.24 171.53 3myb h GLU 31 N -2.55 0.65 -0.46 4.02 4.39 -1.97 0.24 114.58 118.90 3myb h GLU 31 Ca -0.60 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 58.93 3myb h GLU 31 Cb 1.33 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 3myb h GLU 31 CO 0.50 0.43 -0.25 0.00 -1.16 0.00 0.00 179.01 178.53 3myb h ALA 32 N 1.46 0.65 -0.17 3.43 0.00 -1.97 -0.58 119.26 122.07 3myb h ALA 32 Ca 0.38 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3myb h ALA 32 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3myb h ALA 32 CO -0.28 0.66 0.10 1.98 0.00 0.00 0.00 179.25 181.71 3myb h MET 33 N 0.82 0.23 -0.95 0.00 1.85 -1.73 -1.12 114.93 114.03 3myb h MET 33 Ca 0.10 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.18 3myb h MET 33 Cb 0.83 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.76 3myb h MET 33 CO 0.07 0.20 0.62 -0.07 -0.40 0.00 0.00 176.91 177.34 3myb h LEU 34 N 0.19 1.07 -0.89 3.39 3.38 -0.86 -0.72 115.31 120.87 3myb h LEU 34 Ca 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3myb h LEU 34 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3myb h LEU 34 CO -0.01 0.76 0.10 0.00 0.09 0.00 0.00 178.44 179.38 3myb h ALA 35 N 1.42 1.09 -0.39 1.53 0.00 -0.88 0.18 119.26 122.21 3myb h ALA 35 Ca 0.36 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3myb h ALA 35 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3myb h ALA 35 CO -0.09 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.45 3myb h ALA 36 N 1.23 0.56 -0.45 0.00 0.00 -0.64 -1.00 119.26 118.96 3myb h ALA 36 Ca 0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3myb h ALA 36 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3myb h ALA 36 CO 0.01 0.60 0.16 -0.07 0.00 0.00 0.00 179.25 179.95 3myb h LEU 37 N 0.70 0.64 -0.57 0.00 3.38 -0.96 -1.51 115.31 116.99 3myb h LEU 37 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3myb h LEU 37 Cb 0.88 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3myb h LEU 37 CO 0.08 0.65 0.26 1.23 0.09 0.00 0.00 178.44 180.76 3myb h GLY 38 N 0.58 0.89 0.98 0.83 0.00 -0.80 -0.48 103.07 105.07 3myb h GLY 38 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3myb h GLY 38 CO -0.01 0.43 0.25 -2.09 0.00 0.00 0.00 176.54 175.13 3myb h GLU 39 N 0.78 0.64 -0.23 4.80 4.22 -1.11 -0.49 114.58 123.19 3myb h GLU 39 Ca 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.52 3myb h GLU 39 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3myb h GLU 39 CO -0.02 0.50 -0.01 0.00 -2.18 0.00 0.00 179.01 177.30 3myb h ALA 40 N 1.10 0.31 -0.27 2.92 0.00 -0.90 -1.67 119.26 120.74 3myb h ALA 40 Ca 0.16 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3myb h ALA 40 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3myb h ALA 40 CO -0.03 0.05 -0.22 0.74 0.00 0.00 0.00 179.25 179.80 3myb h PHE 41 N 0.17 0.57 -0.45 0.00 0.04 -1.07 -0.96 116.94 115.24 3myb h PHE 41 Ca 0.06 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3myb h PHE 41 Cb 0.43 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3myb h PHE 41 CO 0.04 0.69 0.25 0.78 -0.60 0.00 0.00 178.31 179.47 3myb h GLY 42 N 1.00 0.67 0.94 -1.45 0.00 -0.89 -1.44 103.07 101.90 3myb h GLY 42 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3myb h GLY 42 CO 0.05 0.29 -0.13 -0.84 0.00 0.00 0.00 176.54 175.91 3myb h THR 43 N 0.59 1.28 -0.31 4.70 2.02 -1.12 -3.15 112.91 116.92 3myb h THR 43 Ca 0.16 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 3myb h THR 43 Cb 0.05 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3myb h THR 43 CO -0.03 0.40 0.01 -0.07 0.37 0.00 0.00 175.52 176.20 3myb h LEU 44 N 0.47 0.43 -1.85 2.58 3.38 -1.07 -2.34 115.31 116.90 3myb h LEU 44 Ca 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3myb h LEU 44 Cb 0.65 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3myb h LEU 44 CO 0.04 0.49 -0.12 0.00 0.09 0.00 0.00 178.44 178.94 3myb h ALA 45 N 1.57 1.22 -0.00 1.53 0.00 -1.21 -2.19 119.26 120.17 3myb h ALA 45 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3myb h ALA 45 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3myb h ALA 45 CO 0.01 0.15 -0.30 0.39 0.00 0.00 0.00 179.25 179.50 3myb n GLU 46 N -3.55 0.20 -3.62 0.00 -0.58 -0.88 -4.77 120.64 107.45 3myb n GLU 46 Ca -0.01 -0.09 -0.40 0.00 -0.42 0.00 0.00 57.16 56.23 3myb n GLU 46 Cb 0.25 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 3myb n GLU 46 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3myb s ASP 47 N -2.86 5.60 0.18 1.62 -1.08 -0.83 -4.95 116.67 114.35 3myb s ASP 47 Ca 0.16 -1.64 0.20 0.00 -0.52 0.00 0.00 52.55 50.75 3myb s ASP 47 Cb 0.18 -1.97 0.85 0.00 -1.46 0.00 0.00 42.92 40.53 3myb s ASP 47 CO 0.61 -0.57 1.60 -1.84 0.52 0.00 0.00 175.17 175.49 3myb n GLU 48 N 4.88 0.13 0.05 4.34 0.28 -1.26 -2.26 120.64 126.79 3myb n GLU 48 Ca -0.09 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.45 3myb n GLU 48 Cb 0.42 -1.77 0.52 0.00 1.43 0.00 0.00 31.44 32.05 3myb n GLU 48 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3myb n SER 49 N -2.01 0.35 -4.70 -1.84 3.41 -1.26 -4.80 113.62 102.77 3myb n SER 49 Ca 0.02 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 3myb n SER 49 Cb 0.18 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3myb n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3myb s VAL 50 N -3.05 3.93 -0.12 -3.33 1.01 -0.96 -4.51 120.40 113.38 3myb s VAL 50 Ca 0.12 1.35 0.14 0.00 0.00 0.00 0.00 61.98 63.60 3myb s VAL 50 Cb 0.16 -3.87 -0.21 0.00 0.00 0.00 0.00 36.38 32.46 3myb s VAL 50 CO 0.55 0.06 0.14 0.54 0.00 0.00 0.00 175.10 176.39 3myb n ARG 51 N 4.44 1.23 -3.53 2.72 5.12 0.38 -4.74 116.66 122.28 3myb n ARG 51 Ca 0.10 -0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 3myb n ARG 51 Cb 0.45 -1.39 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 3myb n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3myb s ALA 52 N -2.58 -1.85 -0.07 7.54 0.00 -1.20 -4.27 121.76 119.33 3myb s ALA 52 Ca -0.07 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3myb s ALA 52 Cb 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3myb s ALA 52 CO 0.64 -0.51 -0.14 0.08 0.00 0.00 0.00 175.76 175.84 3myb s VAL 53 N -2.15 1.26 -0.25 0.00 1.01 -0.48 -1.29 120.40 118.50 3myb s VAL 53 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3myb s VAL 53 Cb -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3myb s VAL 53 CO -0.03 0.38 0.14 -0.69 0.00 0.00 0.00 175.10 174.90 3myb s VAL 54 N 0.62 4.97 -0.54 2.92 1.01 -0.08 -0.92 120.40 128.38 3myb s VAL 54 Ca -0.15 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3myb s VAL 54 Cb -0.16 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 32.98 3myb s VAL 54 CO 0.04 0.31 0.55 -0.22 0.00 0.00 0.00 175.10 175.79 3myb s LEU 55 N 1.45 5.70 0.55 3.92 2.96 0.49 -0.94 118.68 132.81 3myb s LEU 55 Ca 0.06 -1.48 0.05 0.00 -0.22 0.00 0.00 54.13 52.54 3myb s LEU 55 Cb -0.15 -2.26 0.04 0.00 0.50 0.00 0.00 46.19 44.32 3myb s LEU 55 CO 0.07 -0.89 0.40 0.00 -1.32 0.00 0.00 176.35 174.61 3myb s ALA 56 N 2.04 4.46 -0.20 5.97 0.00 0.47 -0.83 121.76 133.67 3myb s ALA 56 Ca 0.07 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 3myb s ALA 56 Cb -0.26 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.20 3myb s ALA 56 CO 0.06 -0.45 0.54 0.00 0.00 0.00 0.00 175.76 175.90 3myb s ALA 57 N -2.79 -1.33 0.54 0.00 0.00 -1.26 -0.99 121.76 115.94 3myb s ALA 57 Ca 0.33 1.51 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 3myb s ALA 57 Cb -0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3myb s ALA 57 CO 0.21 -0.25 0.91 -1.12 0.00 0.00 0.00 175.76 175.50 3myb s SER 58 N 0.28 6.30 0.40 0.00 0.01 0.27 -4.91 113.70 116.06 3myb s SER 58 Ca -0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 3myb s SER 58 Cb -0.04 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3myb s SER 58 CO 0.01 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 3myb n GLY 59 N -2.34 -0.34 0.09 3.44 0.00 -1.26 -4.25 105.19 100.54 3myb n GLY 59 Ca 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 3myb n GLY 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3myb h LYS 60 N 0.00 0.00 -6.23 1.61 5.09 -1.94 -3.46 116.57 111.64 3myb h LYS 60 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 60.65 60.16 3myb h LYS 60 Cb 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.25 3myb h LYS 60 CO 0.00 0.82 -0.59 0.00 -2.09 0.00 0.00 179.45 177.59 3myb s ALA 61 N -2.93 3.49 -0.04 0.07 0.00 -1.26 -4.29 121.76 116.80 3myb s ALA 61 Ca 0.01 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 3myb s ALA 61 Cb 0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 3myb s ALA 61 CO 0.79 0.51 0.49 0.35 0.00 0.00 0.00 175.76 177.90 3myb h PHE 62 N 2.52 -0.33 -1.39 0.00 3.57 -1.29 -3.41 116.94 116.60 3myb h PHE 62 Ca -0.47 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.15 3myb h PHE 62 Cb 1.20 0.11 -0.25 0.00 2.79 0.00 0.00 35.95 39.80 3myb h PHE 62 CO 0.59 -0.20 0.23 0.00 -2.23 0.00 0.00 178.31 176.70 3myb n ALA 64 N 4.48 2.58 0.00 0.00 0.00 -0.41 -1.39 120.51 125.77 3myb n ALA 64 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3myb n ALA 64 Cb 0.55 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3myb n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3myb n GLY 65 N 1.49 -0.23 3.64 0.00 0.00 -1.10 -4.51 105.19 104.48 3myb n GLY 65 Ca 0.07 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 3myb n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3myb n HIS 66 N 0.00 0.83 -2.72 1.61 8.25 -1.26 -0.34 115.22 121.58 3myb n HIS 66 Ca 0.00 0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 3myb n HIS 66 Cb 0.00 -2.08 -0.03 0.00 1.12 0.00 0.00 29.99 29.00 3myb n HIS 66 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3myb s ASP 67 N -1.89 6.33 0.19 0.41 -1.08 -1.25 -4.59 116.67 114.79 3myb s ASP 67 Ca 0.72 -0.30 -0.06 0.00 -0.52 0.00 0.00 52.55 52.40 3myb s ASP 67 Cb -0.31 -2.49 0.12 0.00 -1.46 0.00 0.00 42.92 38.78 3myb s ASP 67 CO 0.52 -1.41 1.57 -0.07 0.52 0.00 0.00 175.17 176.29 3myb h LEU 68 N 11.57 0.80 -0.03 -1.34 3.38 -1.97 -1.12 115.31 126.60 3myb h LEU 68 Ca -0.26 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3myb h LEU 68 Cb 1.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3myb h LEU 68 CO 1.15 1.06 0.01 0.50 0.09 0.00 0.00 178.44 181.25 3myb h LYS 69 N 0.64 0.02 -0.31 1.13 3.64 -1.99 -1.13 116.57 118.57 3myb h LYS 69 Ca 0.07 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3myb h LYS 69 Cb 0.87 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3myb h LYS 69 CO 0.08 0.02 0.15 1.49 -2.27 0.00 0.00 179.45 178.92 3myb h GLU 70 N 0.03 0.45 0.00 1.90 4.81 -1.94 -3.12 114.58 116.70 3myb h GLU 70 Ca 0.01 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3myb h GLU 70 Cb 0.01 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3myb h GLU 70 CO -0.02 0.41 -0.53 0.00 -0.73 0.00 0.00 179.01 178.15 3myb h MET 71 N 0.37 0.00 0.00 1.92 -0.00 -1.05 -2.92 114.93 113.25 3myb h MET 71 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.81 3myb h MET 71 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 3myb h MET 71 CO -0.01 0.53 0.00 -0.09 -0.00 0.00 0.00 176.91 177.33 3myb h ARG 72 N 0.00 0.00 -0.31 -0.10 9.65 -1.17 -3.37 114.38 119.09 3myb h ARG 72 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3myb h ARG 72 Cb 1.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 3myb h ARG 72 CO 0.07 0.00 0.08 0.00 2.80 0.00 0.00 179.97 182.91 3myb h ALA 73 N 2.36 0.40 -2.58 2.80 0.00 -1.45 -3.36 119.26 117.43 3myb h ALA 73 Ca 0.00 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 3myb h ALA 73 Cb 0.61 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 17.89 3myb h ALA 73 CO 0.00 0.07 -0.87 -1.21 0.00 0.00 0.00 179.25 177.24 3myb s GLU 74 N -5.30 1.05 0.11 0.00 8.01 -1.26 -5.12 118.70 116.20 3myb s GLU 74 Ca -0.13 -2.06 -0.30 0.00 0.01 0.00 0.00 54.97 52.48 3myb s GLU 74 Cb 0.09 -1.74 -0.07 0.00 -4.31 0.00 0.00 34.13 28.09 3myb s GLU 74 CO 0.74 -1.31 1.21 -1.25 0.01 0.00 0.00 175.26 174.67 3myb s PRO 75 N 0.15 4.45 0.03 0.39 0.04 -1.26 -4.96 135.00 133.84 3myb s PRO 75 Ca 0.27 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 3myb s PRO 75 Cb -0.07 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.23 3myb s PRO 75 CO -0.12 -0.20 0.58 -1.54 0.04 0.00 0.00 177.00 175.76 3myb s SER 76 N 0.71 -0.52 0.12 6.66 1.04 -1.26 -5.03 113.70 115.42 3myb s SER 76 Ca 0.57 0.33 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 3myb s SER 76 Cb -0.31 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.27 3myb s SER 76 CO 0.32 -0.71 1.73 0.08 0.98 0.00 0.00 173.24 175.64 3myb h ARG 77 N 2.79 0.33 -0.66 4.02 -0.00 -2.00 -2.06 114.38 116.81 3myb h ARG 77 Ca -0.30 -0.03 0.05 0.00 -0.00 0.00 0.00 59.98 59.70 3myb h ARG 77 Cb 1.20 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.97 31.05 3myb h ARG 77 CO 0.40 0.28 0.38 1.49 -0.00 0.00 0.00 179.97 182.52 3myb h GLU 78 N 0.30 0.69 -0.14 0.08 4.81 -1.99 -0.30 114.58 118.01 3myb h GLU 78 Ca 0.09 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3myb h GLU 78 Cb 0.04 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3myb h GLU 78 CO -0.02 0.45 0.06 -0.92 -0.73 0.00 0.00 179.01 177.86 3myb h TYR 79 N 0.71 0.22 -0.62 0.92 3.20 -1.87 -2.11 116.97 117.41 3myb h TYR 79 Ca 0.29 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 3myb h TYR 79 Cb 0.15 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3myb h TYR 79 CO -0.07 0.28 0.26 1.88 -1.64 0.00 0.00 178.16 178.87 3myb h TYR 80 N 0.09 0.94 -0.48 -3.82 0.05 -1.02 0.30 116.97 113.02 3myb h TYR 80 Ca 0.05 -0.07 0.10 0.00 0.05 0.00 0.00 58.73 58.86 3myb h TYR 80 Cb 0.15 -0.28 -0.09 0.00 1.01 0.00 0.00 36.73 37.52 3myb h TYR 80 CO -0.02 0.74 -0.14 0.93 -1.05 0.00 0.00 178.16 178.62 3myb h GLU 81 N 0.86 -0.02 -0.33 4.88 4.39 -0.93 -0.34 114.58 123.09 3myb h GLU 81 Ca 0.21 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 3myb h GLU 81 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3myb h GLU 81 CO -0.02 -0.01 -0.44 0.87 -1.16 0.00 0.00 179.01 178.25 3myb h LYS 82 N -0.02 0.88 -0.20 2.33 1.57 -1.03 -1.20 116.57 118.90 3myb h LYS 82 Ca 0.23 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3myb h LYS 82 Cb 0.37 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3myb h LYS 82 CO -0.50 1.15 0.08 1.25 -0.57 0.00 0.00 179.45 180.85 3myb h LEU 83 N 0.67 0.27 -0.88 2.94 5.85 -0.63 -0.22 115.31 123.32 3myb h LEU 83 Ca 0.04 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3myb h LEU 83 Cb 1.04 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3myb h LEU 83 CO 0.10 0.36 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.11 3myb h PHE 84 N 0.17 0.67 -0.46 1.25 0.04 -1.08 -1.56 116.94 115.97 3myb h PHE 84 Ca 0.07 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 3myb h PHE 84 Cb 0.17 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3myb h PHE 84 CO -0.01 0.76 -0.05 0.00 -0.60 0.00 0.00 178.31 178.41 3myb h ALA 85 N 1.25 1.05 -0.72 2.45 0.00 -0.94 -0.27 119.26 122.08 3myb h ALA 85 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3myb h ALA 85 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3myb h ALA 85 CO 0.05 0.59 0.31 0.00 0.00 0.00 0.00 179.25 180.19 3myb h ARG 86 N 0.73 1.06 -0.07 0.00 3.08 -0.67 0.21 114.38 118.72 3myb h ARG 86 Ca 0.13 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3myb h ARG 86 Cb 0.51 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3myb h ARG 86 CO 0.03 0.86 0.01 0.00 -1.07 0.00 0.00 179.97 179.80 3myb h THR 88 N 0.04 1.09 -0.84 0.00 2.02 -0.76 -1.04 112.91 113.43 3myb h THR 88 Ca 0.03 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3myb h THR 88 Cb 0.02 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.22 3myb h THR 88 CO -0.04 0.21 0.52 0.44 0.37 0.00 0.00 175.52 177.02 3myb h ASP 89 N 1.16 1.00 -0.29 4.18 3.32 -0.62 0.52 116.42 125.69 3myb h ASP 89 Ca 0.43 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 3myb h ASP 89 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3myb h ASP 89 CO -0.17 0.76 0.10 0.58 -1.72 0.00 0.00 179.24 178.79 3myb h VAL 90 N 1.15 1.19 -0.52 -1.35 2.07 -0.80 -0.82 116.25 117.17 3myb h VAL 90 Ca 0.30 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3myb h VAL 90 Cb -0.07 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3myb h VAL 90 CO -0.06 0.20 0.33 0.24 0.02 0.00 0.00 177.57 178.30 3myb h MET 91 N 0.32 0.69 -0.01 1.57 2.86 -0.55 -1.52 114.93 118.29 3myb h MET 91 Ca 0.10 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 3myb h MET 91 Cb 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3myb h MET 91 CO -0.01 0.48 -0.47 -0.07 1.06 0.00 0.00 176.91 177.90 3myb h LEU 92 N 0.70 0.03 -0.96 1.22 3.38 -0.91 -2.65 115.31 116.12 3myb h LEU 92 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3myb h LEU 92 Cb -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3myb h LEU 92 CO -0.04 0.50 0.27 0.00 0.09 0.00 0.00 178.44 179.26 3myb h ALA 93 N 1.50 1.18 0.15 1.53 0.00 -0.20 -0.16 119.26 123.25 3myb h ALA 93 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3myb h ALA 93 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3myb h ALA 93 CO 0.06 0.59 -0.14 0.82 0.00 0.00 0.00 179.25 180.59 3myb h ILE 94 N 1.00 0.69 0.00 0.00 2.04 -1.02 -1.05 117.51 119.17 3myb h ILE 94 Ca 0.23 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 3myb h ILE 94 Cb 0.20 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3myb h ILE 94 CO -0.02 0.00 -0.24 -0.61 0.00 0.00 0.00 178.15 177.28 3myb h GLN 95 N -0.31 0.00 -0.01 2.37 4.15 -1.16 -2.86 115.11 117.29 3myb h GLN 95 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3myb h GLN 95 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3myb h GLN 95 CO -0.03 0.24 -0.40 0.54 -1.93 0.00 0.00 178.83 177.24 3myb n ARG 96 N -3.65 0.83 -1.90 1.69 1.74 -0.10 -4.94 116.66 110.32 3myb n ARG 96 Ca -0.01 -0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 56.07 3myb n ARG 96 Cb 0.36 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3myb n ARG 96 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3myb s LEU 97 N -2.57 4.37 0.00 0.55 2.96 -0.41 -4.87 118.68 118.70 3myb s LEU 97 Ca 0.20 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.92 3myb s LEU 97 Cb 0.18 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3myb s LEU 97 CO 0.58 -0.79 0.71 -2.65 -1.32 0.00 0.00 176.35 172.88 3myb n PRO 98 N 2.06 0.88 -3.98 0.98 -0.02 -1.26 -4.67 135.00 128.99 3myb n PRO 98 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 3myb n PRO 98 Cb 0.39 -1.21 -0.11 0.00 -0.02 0.00 0.00 33.50 32.55 3myb n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3myb s ALA 99 N -0.32 0.18 0.55 3.55 0.00 -1.26 -4.37 121.76 120.09 3myb s ALA 99 Ca 0.00 -0.54 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 3myb s ALA 99 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 3myb s ALA 99 CO 0.00 -0.12 1.36 -2.14 0.00 0.00 0.00 175.76 174.87 3myb s PRO 100 N -1.29 3.12 -0.18 0.00 0.02 -1.26 -4.81 135.00 130.61 3myb s PRO 100 Ca -0.13 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.15 3myb s PRO 100 Cb -0.09 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 32.20 3myb s PRO 100 CO -0.01 -1.21 -0.20 0.08 -0.33 0.00 0.00 177.00 175.34 3myb s VAL 101 N -1.30 2.08 -0.21 3.83 1.01 -1.26 -1.38 120.40 123.16 3myb s VAL 101 Ca 0.72 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3myb s VAL 101 Cb -0.41 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3myb s VAL 101 CO 0.48 0.54 -0.03 -0.63 0.00 0.00 0.00 175.10 175.46 3myb s ILE 102 N 1.26 3.54 -0.04 2.22 1.01 -0.10 -1.15 121.20 127.94 3myb s ILE 102 Ca 0.04 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 3myb s ILE 102 Cb -0.13 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3myb s ILE 102 CO -0.12 0.43 0.86 0.00 0.00 0.00 0.00 174.94 176.11 3myb s ALA 103 N 1.27 3.27 -0.62 9.38 0.00 -0.17 -0.38 121.76 134.51 3myb s ALA 103 Ca 0.03 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.23 3myb s ALA 103 Cb -0.14 -3.19 0.16 0.00 0.00 0.00 0.00 23.12 19.95 3myb s ALA 103 CO -0.01 -0.23 0.52 0.50 0.00 0.00 0.00 175.76 176.53 3myb s ARG 104 N 1.07 2.91 -0.48 0.00 3.52 -0.01 -1.27 118.95 124.68 3myb s ARG 104 Ca 0.45 -2.14 -0.14 0.00 -0.13 0.00 0.00 55.73 53.77 3myb s ARG 104 Cb -0.19 -4.09 0.09 0.00 -1.56 0.00 0.00 34.95 29.20 3myb s ARG 104 CO 0.23 -1.24 0.41 0.08 -0.81 0.00 0.00 175.30 173.96 3myb s VAL 105 N 0.72 5.04 -1.67 7.11 1.01 -0.23 -4.48 120.40 127.90 3myb s VAL 105 Ca 0.11 -1.27 0.14 0.00 0.00 0.00 0.00 61.98 60.97 3myb s VAL 105 Cb -0.21 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.16 3myb s VAL 105 CO -0.03 -0.66 0.91 0.00 0.00 0.00 0.00 175.10 175.31 3myb n HIS 106 N 5.16 0.00 -2.47 5.22 1.44 -1.26 -1.47 115.22 121.84 3myb n HIS 106 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 3myb n HIS 106 Cb 0.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 3myb n HIS 106 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3myb n GLY 107 N 0.89 2.54 3.77 -1.39 0.00 -1.26 -4.58 105.19 105.16 3myb n GLY 107 Ca 0.08 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3myb n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3myb s ILE 108 N -3.00 2.12 -0.25 -0.61 -5.25 -1.26 -4.00 121.20 108.95 3myb s ILE 108 Ca 0.00 0.11 -0.00 0.00 -0.99 0.00 0.00 60.65 59.76 3myb s ILE 108 Cb 0.00 -3.06 0.07 0.00 2.95 0.00 0.00 42.46 42.42 3myb s ILE 108 CO 0.00 0.02 0.02 0.00 -1.79 0.00 0.00 174.94 173.18 3myb s ALA 109 N -1.21 1.63 0.01 2.27 0.00 -0.44 -1.21 121.76 122.82 3myb s ALA 109 Ca 0.60 -1.32 0.07 0.00 0.00 0.00 0.00 51.96 51.31 3myb s ALA 109 Cb -0.43 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3myb s ALA 109 CO 0.56 -1.34 -0.20 0.95 0.00 0.00 0.00 175.76 175.72 3myb s THR 110 N 1.55 1.63 0.00 0.00 -4.23 -0.48 -1.82 115.64 112.29 3myb s THR 110 Ca 0.01 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3myb s THR 110 Cb -0.18 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.28 3myb s THR 110 CO -0.12 0.33 0.00 0.00 -0.54 0.00 0.00 174.62 174.29 3myb n ALA 111 N 2.22 0.00 0.31 3.99 0.00 0.19 -0.63 120.51 126.59 3myb n ALA 111 Ca -0.16 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.48 3myb n ALA 111 Cb 0.53 0.00 1.02 0.00 0.00 0.00 0.00 19.45 21.00 3myb n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3myb h ALA 112 N -0.98 1.00 -0.34 0.00 0.00 -1.89 -0.74 119.26 116.31 3myb h ALA 112 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3myb h ALA 112 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3myb h ALA 112 CO 0.00 0.00 -0.43 0.78 0.00 0.00 0.00 179.25 179.60 3myb h GLY 113 N 0.53 0.95 1.46 0.00 0.00 -1.03 -1.18 103.07 103.80 3myb h GLY 113 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.23 3myb h GLY 113 CO 0.00 0.90 -0.22 0.00 0.00 0.00 0.00 176.54 177.22 3myb h GLN 115 N 0.55 0.79 -0.22 0.00 4.15 -1.07 -1.33 115.11 117.99 3myb h GLN 115 Ca 0.08 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.49 3myb h GLN 115 Cb 0.68 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3myb h GLN 115 CO 0.05 0.53 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.40 3myb h LEU 116 N 0.82 -0.11 -0.32 -2.39 3.38 -0.98 0.02 115.31 115.73 3myb h LEU 116 Ca 0.34 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.38 3myb h LEU 116 Cb 0.19 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3myb h LEU 116 CO -0.18 -0.02 0.16 0.58 0.09 0.00 0.00 178.44 179.06 3myb h VAL 117 N 0.06 0.99 0.00 1.22 2.07 -1.26 -1.53 116.25 117.80 3myb h VAL 117 Ca 0.10 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3myb h VAL 117 Cb 0.14 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3myb h VAL 117 CO -0.19 0.06 -0.19 0.00 0.02 0.00 0.00 177.57 177.27 3myb h ALA 118 N 1.17 1.45 0.00 1.67 0.00 -0.75 -2.67 119.26 120.12 3myb h ALA 118 Ca 0.13 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3myb h ALA 118 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3myb h ALA 118 CO -0.09 0.24 -1.05 0.52 0.00 0.00 0.00 179.25 178.87 3myb h MET 119 N 0.00 0.00 -7.10 0.00 2.07 -0.57 -3.46 114.93 105.87 3myb h MET 119 Ca -0.00 0.00 -0.54 0.00 -2.07 0.00 0.00 59.70 57.09 3myb h MET 119 Cb 0.40 0.00 0.13 0.00 -1.87 0.00 0.00 31.60 30.26 3myb h MET 119 CO 0.03 0.67 0.49 0.00 1.07 0.00 0.00 176.91 179.16 3myb h ASP 121 N 0.74 0.73 -5.14 0.00 3.32 -1.43 -3.45 116.42 111.18 3myb h ASP 121 Ca -0.51 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.22 3myb h ASP 121 Cb 1.31 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 3myb h ASP 121 CO 0.54 0.83 -0.68 -0.76 -1.72 0.00 0.00 179.24 177.44 3myb s LEU 122 N -9.10 2.48 -0.17 1.55 1.43 -1.08 -5.02 118.68 108.78 3myb s LEU 122 Ca -0.09 -0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 3myb s LEU 122 Cb 0.14 0.16 0.04 0.00 0.03 0.00 0.00 46.19 46.56 3myb s LEU 122 CO 0.81 -0.57 0.45 0.00 0.23 0.00 0.00 176.35 177.28 3myb s ALA 123 N -3.76 -1.12 -0.12 4.21 0.00 -1.26 -1.00 121.76 118.70 3myb s ALA 123 Ca 0.07 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.33 3myb s ALA 123 Cb 0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 3myb s ALA 123 CO -0.09 -0.21 -0.20 0.08 0.00 0.00 0.00 175.76 175.33 3myb s VAL 124 N 0.24 2.32 0.18 0.00 1.01 -0.40 -0.64 120.40 123.12 3myb s VAL 124 Ca -0.00 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.18 3myb s VAL 124 Cb -0.03 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3myb s VAL 124 CO 0.01 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.41 3myb s ALA 125 N 0.52 2.53 0.49 5.51 0.00 -0.29 -1.07 121.76 129.44 3myb s ALA 125 Ca -0.13 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 3myb s ALA 125 Cb -0.17 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 3myb s ALA 125 CO 0.05 0.45 0.88 0.95 0.00 0.00 0.00 175.76 178.08 3myb s THR 126 N -1.59 4.73 0.24 0.00 -4.23 -0.54 -1.58 115.64 112.67 3myb s THR 126 Ca 0.20 0.74 0.32 0.00 -1.18 0.00 0.00 61.69 61.77 3myb s THR 126 Cb -0.08 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.33 3myb s THR 126 CO 0.09 -0.74 2.02 -0.09 -0.54 0.00 0.00 174.62 175.37 3myb h ARG 127 N 0.69 0.00 -0.00 3.99 2.43 -1.41 -1.44 114.38 118.64 3myb h ARG 127 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3myb h ARG 127 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3myb h ARG 127 CO 0.62 0.07 -0.58 -0.40 -1.51 0.00 0.00 179.97 178.17 3myb n ASP 128 N -3.25 1.01 -4.69 -3.80 5.75 -1.26 -4.31 116.55 106.00 3myb n ASP 128 Ca -0.00 -0.81 -0.41 0.00 -0.01 0.00 0.00 54.79 53.55 3myb n ASP 128 Cb 0.29 0.47 0.01 0.00 -1.03 0.00 0.00 41.12 40.85 3myb n ASP 128 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3myb n ALA 129 N -1.07 1.11 -2.66 2.12 0.00 -0.54 -4.86 120.51 114.62 3myb n ALA 129 Ca 0.07 0.28 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 3myb n ALA 129 Cb 0.36 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 3myb n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3myb s ARG 130 N -2.10 0.86 -0.06 0.00 0.52 -1.26 -2.92 118.95 114.00 3myb s ARG 130 Ca 0.60 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 3myb s ARG 130 Cb -0.53 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.10 3myb s ARG 130 CO 0.59 0.18 -0.16 -0.06 0.02 0.00 0.00 175.30 175.86 3myb s PHE 131 N -1.46 1.75 0.04 -0.53 0.40 -0.41 -1.33 117.98 116.44 3myb s PHE 131 Ca 0.00 -0.59 -0.14 0.00 -0.60 0.00 0.00 56.93 55.61 3myb s PHE 131 Cb -0.09 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.25 3myb s PHE 131 CO 0.02 -0.24 0.30 0.00 0.70 0.00 0.00 175.22 176.00 3myb s ALA 132 N 0.31 -0.67 -0.91 5.36 0.00 -0.76 -0.11 121.76 124.98 3myb s ALA 132 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 3myb s ALA 132 Cb -0.14 0.32 0.24 0.00 0.00 0.00 0.00 23.12 23.54 3myb s ALA 132 CO 0.04 -0.41 0.89 1.33 0.00 0.00 0.00 175.76 177.61 3myb n VAL 133 N 0.58 3.33 -0.47 0.00 0.24 -1.26 -0.64 118.33 120.11 3myb n VAL 133 Ca -0.19 -5.25 0.09 0.00 -2.04 0.00 0.00 64.34 56.96 3myb n VAL 133 Cb 0.59 -2.33 0.34 0.00 -1.47 0.00 0.00 33.84 30.98 3myb n VAL 133 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3myb n SER 134 N 2.04 4.53 -0.22 -1.34 3.41 -1.26 -4.29 113.62 116.48 3myb n SER 134 Ca 0.23 -2.42 0.19 0.00 -0.26 0.00 0.00 58.87 56.61 3myb n SER 134 Cb 0.37 -0.56 0.52 0.00 -0.26 0.00 0.00 64.21 64.28 3myb n SER 134 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3myb h GLY 135 N 4.31 0.77 2.00 5.00 0.00 -1.92 -1.12 103.07 112.11 3myb h GLY 135 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3myb h GLY 135 CO 0.22 0.01 -0.06 1.19 0.00 0.00 0.00 176.54 177.90 3myb h ILE 136 N 0.38 0.82 0.00 2.60 6.09 -1.62 0.24 117.51 126.02 3myb h ILE 136 Ca 0.44 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.69 3myb h ILE 136 Cb 1.12 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3myb h ILE 136 CO -0.15 0.06 0.00 0.59 -3.07 0.00 0.00 178.15 175.58 3myb n ASN 137 N -4.13 0.48 -0.49 2.19 3.02 -0.42 -1.45 115.26 114.45 3myb n ASN 137 Ca -0.03 0.64 0.07 0.00 -0.03 0.00 0.00 54.58 55.24 3myb n ASN 137 Cb 0.15 -0.74 0.17 0.00 -0.61 0.00 0.00 39.78 38.75 3myb n ASN 137 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3myb n VAL 138 N -2.06 1.77 -0.85 2.41 0.24 -0.03 -4.98 118.33 114.84 3myb n VAL 138 Ca 0.02 -1.72 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 3myb n VAL 138 Cb 0.17 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3myb n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3myb n GLY 139 N -0.59 0.55 2.96 7.63 0.00 -0.53 -5.01 105.19 110.20 3myb n GLY 139 Ca 0.15 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3myb n GLY 139 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3myb s LEU 140 N 0.00 4.34 0.27 0.99 2.96 -0.57 -4.94 118.68 121.73 3myb s LEU 140 Ca 0.00 -2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 51.17 3myb s LEU 140 Cb 0.00 -1.55 -0.13 0.00 0.50 0.00 0.00 46.19 45.01 3myb s LEU 140 CO 0.00 -0.33 1.34 0.33 -1.32 0.00 0.00 176.35 176.38 3myb n PHE 141 N 3.87 2.11 -1.26 5.38 7.35 -1.26 -2.12 117.46 131.53 3myb n PHE 141 Ca 0.04 0.49 -0.39 0.00 -0.76 0.00 0.00 57.45 56.83 3myb n PHE 141 Cb 0.38 -2.43 -0.03 0.00 0.35 0.00 0.00 39.48 37.75 3myb n PHE 141 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3myb h SER 143 N 6.76 0.01 -0.31 0.00 0.02 -1.99 -0.25 113.55 117.79 3myb h SER 143 Ca 0.53 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 3myb h SER 143 Cb 0.53 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3myb h SER 143 CO 1.83 0.30 -0.31 0.71 -1.14 0.00 0.00 176.83 178.21 3myb h THR 144 N -0.28 1.29 -0.24 -2.27 1.35 -2.01 -2.76 112.91 108.01 3myb h THR 144 Ca 0.00 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 3myb h THR 144 Cb 0.29 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3myb h THR 144 CO 0.00 0.48 0.16 -0.65 -0.25 0.00 0.00 175.52 175.26 3myb h PRO 145 N 0.53 0.31 0.00 4.72 0.11 -1.87 -2.12 132.00 133.69 3myb h PRO 145 Ca 0.05 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3myb h PRO 145 Cb 0.89 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3myb h PRO 145 CO 0.08 0.21 -0.35 0.78 -0.21 0.00 0.00 178.00 178.51 3myb h GLY 146 N 0.33 0.00 0.47 -0.55 0.00 -0.81 -0.09 103.07 102.42 3myb h GLY 146 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.47 3myb h GLY 146 CO -0.02 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.34 3myb h VAL 147 N 0.00 0.68 -0.10 4.60 2.07 -1.10 -0.75 116.25 121.66 3myb h VAL 147 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3myb h VAL 147 Cb 0.63 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3myb h VAL 147 CO 0.05 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.38 3myb h ALA 148 N 1.11 0.17 -0.77 1.67 0.00 -1.47 -3.24 119.26 116.73 3myb h ALA 148 Ca 0.11 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3myb h ALA 148 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3myb h ALA 148 CO -0.26 0.16 0.50 1.25 0.00 0.00 0.00 179.25 180.90 3myb h LEU 149 N -0.10 0.86 0.00 0.00 5.85 -0.99 -1.71 115.31 119.21 3myb h LEU 149 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3myb h LEU 149 Cb 0.86 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3myb h LEU 149 CO 0.05 0.61 0.00 -1.54 -0.34 0.00 0.00 178.44 177.22 3myb n SER 150 N -4.57 0.00 -1.02 1.25 3.41 -0.29 -1.30 113.62 111.09 3myb n SER 150 Ca 0.08 0.10 0.10 0.00 -0.26 0.00 0.00 58.87 58.88 3myb n SER 150 Cb 0.04 -0.31 0.21 0.00 -0.26 0.00 0.00 64.21 63.89 3myb n SER 150 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3myb n ARG 151 N -1.31 2.47 0.00 4.33 1.74 -0.65 -4.44 116.66 118.79 3myb n ARG 151 Ca 0.08 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 3myb n ARG 151 Cb 0.15 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3myb n ARG 151 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3myb n ASN 152 N 1.23 4.89 -4.24 0.55 5.03 -0.42 -5.10 115.26 117.20 3myb n ASN 152 Ca 0.18 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.49 3myb n ASN 152 Cb 0.54 0.77 -0.10 0.00 -1.02 0.00 0.00 39.78 39.97 3myb n ASN 152 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3myb s VAL 153 N -1.97 0.96 0.89 2.41 -7.23 -0.47 -4.12 120.40 110.87 3myb s VAL 153 Ca 0.00 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 3myb s VAL 153 Cb 0.00 -1.90 0.13 0.00 0.56 0.00 0.00 36.38 35.17 3myb s VAL 153 CO 0.00 -0.69 1.17 -0.83 -0.31 0.00 0.00 175.10 174.43 3myb s GLY 154 N -3.15 1.82 0.10 2.32 0.00 -1.26 -4.60 107.32 102.54 3myb s GLY 154 Ca 0.18 0.67 -0.24 0.00 0.00 0.00 0.00 44.72 45.33 3myb s GLY 154 CO 0.01 1.09 1.70 3.21 0.00 0.00 0.00 173.10 179.11 3myb h ARG 155 N -1.62 -0.19 -0.46 2.90 3.08 -1.98 -0.73 114.38 115.39 3myb h ARG 155 Ca -0.44 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.51 3myb h ARG 155 Cb 1.28 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3myb h ARG 155 CO 0.43 -0.13 -0.17 0.87 -1.07 0.00 0.00 179.97 179.90 3myb h LYS 156 N -0.20 0.88 -0.30 0.04 1.57 -1.99 0.15 116.57 116.72 3myb h LYS 156 Ca 0.01 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3myb h LYS 156 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3myb h LYS 156 CO -0.03 0.98 0.16 0.00 -0.57 0.00 0.00 179.45 179.98 3myb h ALA 157 N 1.03 0.38 -0.17 3.86 0.00 -1.90 -1.58 119.26 120.88 3myb h ALA 157 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3myb h ALA 157 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3myb h ALA 157 CO 0.05 -0.07 0.09 0.00 0.00 0.00 0.00 179.25 179.32 3myb h ALA 158 N 1.02 0.22 -0.55 0.00 0.00 -0.88 -1.72 119.26 117.36 3myb h ALA 158 Ca 0.10 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3myb h ALA 158 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3myb h ALA 158 CO -0.02 -0.24 0.33 0.35 0.00 0.00 0.00 179.25 179.68 3myb h PHE 159 N 0.17 0.62 -0.60 0.00 3.57 -0.88 -0.72 116.94 119.10 3myb h PHE 159 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3myb h PHE 159 Cb 0.08 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3myb h PHE 159 CO -0.04 0.36 0.37 1.49 -2.23 0.00 0.00 178.31 178.26 3myb h GLU 160 N 0.66 0.81 -0.66 1.11 4.81 -1.15 -0.57 114.58 119.60 3myb h GLU 160 Ca 0.22 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3myb h GLU 160 Cb 0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3myb h GLU 160 CO -0.09 0.57 0.40 0.52 -0.73 0.00 0.00 179.01 179.68 3myb h MET 161 N 0.81 0.89 -0.32 1.92 2.86 -0.92 -2.22 114.93 117.95 3myb h MET 161 Ca 0.22 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 3myb h MET 161 Cb -0.04 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3myb h MET 161 CO -0.04 0.63 -0.28 -0.07 1.06 0.00 0.00 176.91 178.21 3myb h LEU 162 N 0.89 0.80 0.00 1.22 3.38 -0.74 -0.21 115.31 120.66 3myb h LEU 162 Ca 0.24 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3myb h LEU 162 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3myb h LEU 162 CO -0.05 1.09 -0.62 -0.37 0.09 0.00 0.00 178.44 178.58 3myb h VAL 163 N 0.52 0.46 0.00 1.22 -1.51 -1.10 -3.36 116.25 112.49 3myb h VAL 163 Ca 0.06 -1.71 -0.24 0.00 -1.23 0.00 0.00 66.70 63.58 3myb h VAL 163 Cb 0.85 2.12 -0.05 0.00 -2.13 0.00 0.00 31.29 32.08 3myb h VAL 163 CO 0.07 0.26 -2.13 0.35 -1.23 0.00 0.00 177.57 174.90 3myb n THR 164 N -3.05 1.01 -0.95 7.19 -2.24 -0.84 -5.00 114.28 110.39 3myb n THR 164 Ca 0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3myb n THR 164 Cb 0.68 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3myb n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3myb n GLY 165 N 1.57 0.45 3.81 3.38 0.00 -0.09 -4.88 105.19 109.43 3myb n GLY 165 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3myb n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3myb s GLU 166 N -0.52 3.99 0.50 1.61 0.41 -1.26 -4.44 118.70 118.99 3myb s GLU 166 Ca 0.00 1.21 -0.22 0.00 -0.41 0.00 0.00 54.97 55.55 3myb s GLU 166 Cb 0.00 -2.13 -0.06 0.00 -1.78 0.00 0.00 34.13 30.15 3myb s GLU 166 CO 0.00 -0.25 1.22 -0.06 -0.49 0.00 0.00 175.26 175.67 3myb s PHE 167 N -2.14 2.66 -0.04 1.61 0.08 -1.26 -4.61 117.98 114.27 3myb s PHE 167 Ca 0.64 1.49 0.06 0.00 0.12 0.00 0.00 56.93 59.24 3myb s PHE 167 Cb -0.12 -3.49 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 3myb s PHE 167 CO 0.18 -1.93 -0.21 0.08 -0.10 0.00 0.00 175.22 173.24 3myb s VAL 168 N -1.50 2.44 0.90 -0.44 1.01 0.85 -4.94 120.40 118.72 3myb s VAL 168 Ca 0.68 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3myb s VAL 168 Cb -0.31 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.29 3myb s VAL 168 CO 0.37 0.58 1.09 -0.94 0.00 0.00 0.00 175.10 176.20 3myb s SER 169 N -0.49 3.44 0.14 3.32 1.04 -1.26 -1.28 113.70 118.60 3myb s SER 169 Ca 0.06 1.48 -0.14 0.00 0.48 0.00 0.00 55.95 57.83 3myb s SER 169 Cb -0.11 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 63.86 3myb s SER 169 CO 0.01 -2.66 1.62 0.00 0.98 0.00 0.00 173.24 173.20 3myb h ALA 170 N -1.56 0.61 -0.75 5.32 0.00 -1.72 0.13 119.26 121.29 3myb h ALA 170 Ca -0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 3myb h ALA 170 Cb 1.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3myb h ALA 170 CO 0.55 0.33 0.39 -0.44 0.00 0.00 0.00 179.25 180.07 3myb h ASP 171 N 0.62 0.95 -0.52 0.00 3.32 -1.90 -1.00 116.42 117.90 3myb h ASP 171 Ca 0.14 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3myb h ASP 171 Cb 0.38 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3myb h ASP 171 CO 0.01 0.80 -0.06 0.44 -1.72 0.00 0.00 179.24 178.70 3myb h ASP 172 N 1.04 0.98 -0.83 6.45 3.32 -1.85 -1.65 116.42 123.88 3myb h ASP 172 Ca 0.26 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3myb h ASP 172 Cb 0.07 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3myb h ASP 172 CO -0.04 1.07 0.50 0.00 -1.72 0.00 0.00 179.24 179.06 3myb h ALA 173 N 1.02 1.32 -0.23 3.45 0.00 -0.28 -0.93 119.26 123.60 3myb h ALA 173 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3myb h ALA 173 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3myb h ALA 173 CO 0.04 0.59 0.06 -0.22 0.00 0.00 0.00 179.25 179.72 3myb h LYS 174 N 1.15 0.36 -0.88 0.00 3.64 -0.89 0.24 116.57 120.18 3myb h LYS 174 Ca 0.30 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 3myb h LYS 174 Cb -0.05 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.66 3myb h LYS 174 CO -0.06 0.46 0.57 0.78 -2.27 0.00 0.00 179.45 178.93 3myb h GLY 175 N 0.20 1.24 2.00 5.01 0.00 -0.80 -2.25 103.07 108.47 3myb h GLY 175 Ca 0.07 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3myb h GLY 175 CO -0.00 0.18 -0.39 1.41 0.00 0.00 0.00 176.54 177.74 3myb h LEU 176 N 0.83 0.00 0.00 3.11 3.38 -0.94 -3.48 115.31 118.21 3myb h LEU 176 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3myb h LEU 176 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3myb h LEU 176 CO -0.18 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3myb n GLY 177 N 0.43 0.97 0.11 0.83 0.00 -0.78 -4.28 105.19 102.47 3myb n GLY 177 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3myb n GLY 177 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3myb h LEU 178 N 0.00 0.00 -8.78 0.99 5.85 -1.13 -3.44 115.31 108.80 3myb h LEU 178 Ca 0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 3myb h LEU 178 Cb 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.89 3myb h LEU 178 CO 0.00 0.66 -0.68 0.68 -0.34 0.00 0.00 178.44 178.76 3myb s VAL 179 N -2.87 1.08 -0.12 1.05 -7.23 -1.21 -4.67 120.40 106.43 3myb s VAL 179 Ca 0.02 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3myb s VAL 179 Cb 0.08 -2.12 -0.25 0.00 0.56 0.00 0.00 36.38 34.65 3myb s VAL 179 CO 0.78 -0.51 0.37 0.59 -0.31 0.00 0.00 175.10 176.02 3myb n ASN 180 N -0.32 1.71 -3.86 4.85 4.13 0.19 -4.42 115.26 117.55 3myb n ASN 180 Ca -0.07 0.22 -0.12 0.00 1.68 0.00 0.00 54.58 56.29 3myb n ASN 180 Cb 0.62 -0.55 -0.12 0.00 -1.54 0.00 0.00 39.78 38.20 3myb n ASN 180 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3myb s ARG 181 N -2.56 0.26 -0.09 3.52 1.81 -1.15 -5.05 118.95 115.70 3myb s ARG 181 Ca -0.19 -0.07 0.02 0.00 -1.72 0.00 0.00 55.73 53.77 3myb s ARG 181 Cb 0.07 0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.70 3myb s ARG 181 CO 0.77 -0.05 -0.12 0.08 -0.68 0.00 0.00 175.30 175.30 3myb s VAL 182 N -0.51 1.22 0.13 3.52 1.01 -1.26 -1.14 120.40 123.37 3myb s VAL 182 Ca -0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3myb s VAL 182 Cb -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3myb s VAL 182 CO 0.00 0.38 0.02 0.68 0.00 0.00 0.00 175.10 176.19 3myb s VAL 183 N 0.95 0.29 0.57 2.92 -7.23 -0.62 -4.93 120.40 112.36 3myb s VAL 183 Ca -0.09 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 57.96 3myb s VAL 183 Cb -0.15 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3myb s VAL 183 CO 0.00 -0.57 1.35 0.00 -0.31 0.00 0.00 175.10 175.57 3myb s ALA 184 N -3.91 2.71 0.29 1.32 0.00 -1.26 -1.04 121.76 119.87 3myb s ALA 184 Ca 0.21 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.52 3myb s ALA 184 Cb 0.07 -3.57 0.70 0.00 0.00 0.00 0.00 23.12 20.33 3myb s ALA 184 CO 0.00 -1.44 1.74 -1.35 0.00 0.00 0.00 175.76 174.71 3myb h PRO 185 N 1.22 0.55 0.00 0.00 0.11 -1.94 0.11 132.00 132.04 3myb h PRO 185 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3myb h PRO 185 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3myb h PRO 185 CO 0.56 0.36 0.00 1.57 -0.21 0.00 0.00 178.00 180.28 3myb h LYS 186 N 0.56 0.00 -0.02 1.05 2.10 -2.04 -2.62 116.57 115.60 3myb h LYS 186 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3myb h LYS 186 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 3myb h LYS 186 CO -0.45 0.00 -0.24 0.00 -2.00 0.00 0.00 179.45 176.77 3myb n ALA 187 N -1.83 3.01 0.12 0.07 0.00 0.35 -4.64 120.51 117.59 3myb n ALA 187 Ca 0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 3myb n ALA 187 Cb 0.19 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3myb n ALA 187 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3myb h LEU 188 N 3.55 -0.18 -0.81 0.00 5.85 -1.23 -0.91 115.31 121.58 3myb h LEU 188 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3myb h LEU 188 Cb 0.87 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3myb h LEU 188 CO 0.00 -0.13 0.53 0.44 -0.34 0.00 0.00 178.44 178.94 3myb h ASP 189 N -0.21 0.90 -0.72 1.25 3.32 -1.82 -1.19 116.42 117.95 3myb h ASP 189 Ca -0.02 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3myb h ASP 189 Cb 0.16 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3myb h ASP 189 CO 0.03 0.64 0.17 0.44 -1.72 0.00 0.00 179.24 178.81 3myb h ASP 190 N 1.07 1.09 -0.43 6.45 3.32 -1.80 -1.05 116.42 125.06 3myb h ASP 190 Ca 0.31 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3myb h ASP 190 Cb -0.07 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 3myb h ASP 190 CO -0.08 1.04 -0.20 -0.08 -1.72 0.00 0.00 179.24 178.19 3myb h GLU 191 N 1.08 0.90 -0.40 3.56 4.57 -0.70 -0.55 114.58 123.04 3myb h GLU 191 Ca 0.22 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3myb h GLU 191 Cb 0.37 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3myb h GLU 191 CO 0.00 1.04 0.25 0.82 -1.18 0.00 0.00 179.01 179.94 3myb h ILE 192 N 0.72 1.12 -0.76 2.32 1.08 -1.12 -2.47 117.51 118.40 3myb h ILE 192 Ca 0.10 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3myb h ILE 192 Cb 0.77 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 3myb h ILE 192 CO 0.06 0.12 0.27 -0.08 -0.69 0.00 0.00 178.15 177.83 3myb h GLU 193 N 0.53 1.16 -0.72 2.37 4.57 -1.02 -0.71 114.58 120.76 3myb h GLU 193 Ca 0.14 -0.23 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3myb h GLU 193 Cb -0.02 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.34 3myb h GLU 193 CO -0.03 0.96 0.42 0.00 -1.18 0.00 0.00 179.01 179.18 3myb h ALA 194 N 1.17 0.98 -0.09 2.92 0.00 -0.82 -0.01 119.26 123.41 3myb h ALA 194 Ca 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3myb h ALA 194 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3myb h ALA 194 CO -0.01 0.11 -0.11 1.98 0.00 0.00 0.00 179.25 181.21 3myb h MET 195 N 0.76 0.23 -0.46 0.00 1.85 -0.98 -2.94 114.93 113.39 3myb h MET 195 Ca 0.32 -0.13 0.02 0.00 -0.61 0.00 0.00 59.70 59.31 3myb h MET 195 Cb 0.20 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 3myb h MET 195 CO -0.19 0.68 0.27 0.28 -0.40 0.00 0.00 176.91 177.55 3myb h VAL 196 N -0.21 1.05 -0.29 -5.77 2.07 -1.00 -2.54 116.25 109.56 3myb h VAL 196 Ca 0.01 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3myb h VAL 196 Cb 0.65 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3myb h VAL 196 CO 0.03 0.10 0.03 0.77 0.02 0.00 0.00 177.57 178.51 3myb h SER 197 N 0.54 0.40 -0.15 0.57 4.64 -1.00 -1.11 113.55 117.43 3myb h SER 197 Ca 0.18 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3myb h SER 197 Cb 0.01 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3myb h SER 197 CO -0.08 0.44 0.07 0.11 -0.87 0.00 0.00 176.83 176.50 3myb h LYS 198 N 0.42 0.22 -0.09 4.77 1.57 -1.28 -2.63 116.57 119.55 3myb h LYS 198 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3myb h LYS 198 Cb 0.24 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3myb h LYS 198 CO 0.00 0.29 0.05 0.82 -0.57 0.00 0.00 179.45 180.04 3myb h ILE 199 N 0.10 1.10 0.00 1.86 2.04 -1.01 -2.92 117.51 118.68 3myb h ILE 199 Ca 0.05 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3myb h ILE 199 Cb 0.15 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3myb h ILE 199 CO -0.01 0.09 -0.03 0.58 0.00 0.00 0.00 178.15 178.78 3myb h VAL 200 N 0.04 0.83 0.00 1.67 2.07 -1.21 -1.89 116.25 117.76 3myb h VAL 200 Ca 0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3myb h VAL 200 Cb 0.10 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3myb h VAL 200 CO -0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3myb h ALA 201 N 1.97 1.00 -2.36 1.67 0.00 -1.26 -3.45 119.26 116.83 3myb h ALA 201 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3myb h ALA 201 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3myb h ALA 201 CO 0.00 0.00 -0.10 0.15 0.00 0.00 0.00 179.25 179.30 3myb s LYS 202 N -3.66 3.59 0.23 0.00 -0.14 -0.71 -4.89 119.74 114.15 3myb s LYS 202 Ca 0.01 -0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.29 3myb s LYS 202 Cb 0.09 -2.60 -0.10 0.00 -1.68 0.00 0.00 37.83 33.54 3myb s LYS 202 CO 0.54 0.13 1.50 -2.14 -0.76 0.00 0.00 175.35 174.61 3myb s PRO 203 N -3.91 4.23 0.20 -1.68 0.02 -1.26 -4.91 135.00 127.69 3myb s PRO 203 Ca 0.44 2.35 -0.10 0.00 0.02 0.00 0.00 61.00 63.71 3myb s PRO 203 Cb -0.10 -3.11 0.23 0.00 0.02 0.00 0.00 34.50 31.54 3myb s PRO 203 CO 0.33 -0.50 1.78 -0.09 -0.33 0.00 0.00 177.00 178.19 3myb h ARG 204 N 5.54 0.54 -0.51 5.54 1.12 -1.91 -2.44 114.38 122.26 3myb h ARG 204 Ca -0.45 -0.03 0.10 0.00 -1.11 0.00 0.00 59.98 58.48 3myb h ARG 204 Cb 1.21 -0.12 -0.08 0.00 -0.01 0.00 0.00 29.97 30.97 3myb h ARG 204 CO 0.82 0.36 0.03 0.00 -3.11 0.00 0.00 179.97 178.07 3myb h ALA 205 N 1.35 0.52 -0.23 2.80 0.00 -1.95 -0.21 119.26 121.53 3myb h ALA 205 Ca 0.29 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 3myb h ALA 205 Cb 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3myb h ALA 205 CO -0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 179.25 178.56 3myb h ALA 206 N 1.44 0.33 -0.53 0.00 0.00 -1.85 -1.13 119.26 117.52 3myb h ALA 206 Ca 0.26 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3myb h ALA 206 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3myb h ALA 206 CO -0.40 0.18 0.14 0.28 0.00 0.00 0.00 179.25 179.45 3myb h VAL 207 N 0.20 1.24 0.16 0.00 2.07 -1.05 -0.58 116.25 118.29 3myb h VAL 207 Ca 0.05 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3myb h VAL 207 Cb 0.61 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3myb h VAL 207 CO 0.03 0.31 -0.08 0.00 0.02 0.00 0.00 177.57 177.86 3myb h ALA 208 N 1.01 -0.21 -0.16 1.67 0.00 -0.95 -0.34 119.26 120.29 3myb h ALA 208 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3myb h ALA 208 Cb 0.32 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3myb h ALA 208 CO -0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 179.25 178.36 3myb h MET 209 N -0.30 0.31 -0.23 0.00 -0.00 -1.19 -2.44 114.93 111.09 3myb h MET 209 Ca -0.02 -0.12 -0.07 0.00 -0.00 0.00 0.00 59.70 59.49 3myb h MET 209 Cb 0.23 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.81 3myb h MET 209 CO 0.04 0.60 -0.12 0.78 -0.00 0.00 0.00 176.91 178.20 3myb h GLY 210 N 1.08 0.53 0.99 -3.00 0.00 -0.94 -1.35 103.07 100.37 3myb h GLY 210 Ca 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3myb h GLY 210 CO 0.05 0.44 0.29 1.70 0.00 0.00 0.00 176.54 179.02 3myb h LYS 211 N 0.20 0.66 -0.34 4.80 3.64 -0.98 0.11 116.57 124.66 3myb h LYS 211 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3myb h LYS 211 Cb 0.63 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3myb h LYS 211 CO 0.04 0.48 0.22 0.00 -2.27 0.00 0.00 179.45 177.91 3myb h ALA 212 N 1.14 0.43 -0.45 5.00 0.00 -1.34 -2.38 119.26 121.65 3myb h ALA 212 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3myb h ALA 212 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3myb h ALA 212 CO -0.03 -0.09 0.23 1.25 0.00 0.00 0.00 179.25 180.60 3myb h LEU 213 N 0.45 0.58 -0.46 0.00 7.12 -1.00 -2.46 115.31 119.54 3myb h LEU 213 Ca 0.12 -0.11 0.09 0.00 0.13 0.00 0.00 57.88 58.11 3myb h LEU 213 Cb -0.03 -0.15 -0.10 0.00 -0.53 0.00 0.00 40.66 39.85 3myb h LEU 213 CO -0.03 0.53 -0.21 0.15 -0.13 0.00 0.00 178.44 178.75 3myb h PHE 214 N 0.59 -0.54 0.00 1.25 3.57 -0.28 -0.39 116.94 121.14 3myb h PHE 214 Ca 0.16 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 3myb h PHE 214 Cb 0.10 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3myb h PHE 214 CO -0.01 -0.30 -0.42 1.88 -2.23 0.00 0.00 178.31 177.23 3myb h TYR 215 N -0.12 0.00 -0.11 0.41 0.05 -1.42 -2.42 116.97 113.36 3myb h TYR 215 Ca 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.97 3myb h TYR 215 Cb 0.46 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3myb h TYR 215 CO -0.48 0.42 -0.03 0.00 -1.05 0.00 0.00 178.16 177.02 3myb h ARG 216 N 0.00 0.22 0.00 4.88 3.08 -0.89 -3.34 114.38 118.34 3myb h ARG 216 Ca -0.00 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 3myb h ARG 216 Cb 1.27 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 3myb h ARG 216 CO 0.05 0.53 -0.57 -0.56 -1.07 0.00 0.00 179.97 178.36 3myb h GLN 217 N -0.10 0.00 0.00 0.04 -0.00 -1.07 -3.16 115.11 110.82 3myb h GLN 217 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 3myb h GLN 217 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.93 3myb h GLN 217 CO 0.01 0.57 -0.07 0.97 -0.00 0.00 0.00 178.83 180.31 3myb h ILE 218 N 0.00 0.24 -0.53 1.86 2.10 -1.55 -2.76 117.51 116.87 3myb h ILE 218 Ca -0.01 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3myb h ILE 218 Cb 1.14 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 3myb h ILE 218 CO 0.07 0.07 0.00 -0.62 -1.08 0.00 0.00 178.15 176.59 3myb n GLU 219 N -3.27 3.21 -4.44 2.19 1.02 -1.19 -4.98 120.64 113.18 3myb n GLU 219 Ca -0.01 -2.61 -0.26 0.00 -0.02 0.00 0.00 57.16 54.27 3myb n GLU 219 Cb 0.28 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 29.97 3myb n GLU 219 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3myb n THR 220 N 0.83 0.00 -1.62 2.62 5.66 -1.04 -5.13 114.28 115.60 3myb n THR 220 Ca 0.21 -2.43 -0.31 0.00 -3.05 0.00 0.00 64.05 58.47 3myb n THR 220 Cb 0.71 0.89 0.05 0.00 -1.55 0.00 0.00 70.33 70.42 3myb n THR 220 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3myb s ASP 221 N -3.55 5.49 0.34 1.09 -4.77 -1.26 -4.81 116.67 109.20 3myb s ASP 221 Ca 0.22 1.58 0.05 0.00 -3.30 0.00 0.00 52.55 51.09 3myb s ASP 221 Cb 0.01 -2.48 0.63 0.00 -1.09 0.00 0.00 42.92 39.99 3myb s ASP 221 CO 0.16 -1.37 1.88 -0.29 0.70 0.00 0.00 175.17 176.25 3myb h ILE 222 N -0.67 1.19 -0.17 2.11 2.10 -1.99 0.50 117.51 120.59 3myb h ILE 222 Ca -0.44 -0.76 -0.15 0.00 1.08 0.00 0.00 64.86 64.59 3myb h ILE 222 Cb 1.21 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 3myb h ILE 222 CO 0.58 0.26 -0.50 -0.08 -1.08 0.00 0.00 178.15 177.33 3myb h GLU 223 N 0.48 0.63 -0.60 2.19 4.81 -1.99 -0.14 114.58 119.96 3myb h GLU 223 Ca 0.10 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3myb h GLU 223 Cb 0.32 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3myb h GLU 223 CO 0.01 1.08 0.38 0.77 -0.73 0.00 0.00 179.01 180.52 3myb h SER 224 N 0.30 0.70 -0.23 1.04 0.02 -1.84 -1.61 113.55 111.93 3myb h SER 224 Ca -0.02 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3myb h SER 224 Cb 1.12 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 3myb h SER 224 CO 0.11 0.53 0.07 0.00 -1.14 0.00 0.00 176.83 176.39 3myb h ALA 225 N 1.21 0.25 -0.39 3.77 0.00 -0.73 -2.12 119.26 121.24 3myb h ALA 225 Ca 0.22 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3myb h ALA 225 Cb -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3myb h ALA 225 CO -0.04 -0.35 0.04 1.88 0.00 0.00 0.00 179.25 180.78 3myb h TYR 226 N 0.17 0.62 -0.55 0.00 0.05 -0.84 0.56 116.97 116.99 3myb h TYR 226 Ca 0.10 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3myb h TYR 226 Cb 0.08 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3myb h TYR 226 CO -0.13 0.58 0.30 0.00 -1.05 0.00 0.00 178.16 177.86 3myb h ALA 227 N 1.47 0.70 -0.16 3.88 0.00 -0.83 0.50 119.26 124.82 3myb h ALA 227 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3myb h ALA 227 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3myb h ALA 227 CO 0.01 0.22 -0.24 0.22 0.00 0.00 0.00 179.25 179.45 3myb h ASP 228 N 0.73 0.50 -0.64 0.00 3.58 -1.16 -2.96 116.42 116.46 3myb h ASP 228 Ca 0.19 -0.52 -0.06 0.00 0.42 0.00 0.00 57.03 57.06 3myb h ASP 228 Cb 0.05 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3myb h ASP 228 CO -0.03 0.92 0.17 0.00 -2.88 0.00 0.00 179.24 177.43 3myb h ALA 229 N 0.59 1.05 0.07 -0.78 0.00 -0.67 -0.96 119.26 118.56 3myb h ALA 229 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3myb h ALA 229 Cb 0.82 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3myb h ALA 229 CO 0.06 0.63 -0.03 0.78 0.00 0.00 0.00 179.25 180.68 3myb h GLY 230 N 1.06 -0.10 1.62 0.00 0.00 -0.90 0.12 103.07 104.88 3myb h GLY 230 Ca 0.21 0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.45 3myb h GLY 230 CO -0.00 -0.04 -0.44 0.00 0.00 0.00 0.00 176.54 176.06 3myb h THR 231 N -0.14 1.32 -0.45 4.70 1.03 -1.41 -1.38 112.91 116.58 3myb h THR 231 Ca -0.01 -1.62 -0.05 0.00 -0.01 0.00 0.00 66.41 64.72 3myb h THR 231 Cb 0.11 1.67 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 3myb h THR 231 CO 0.02 0.50 0.08 0.74 -0.01 0.00 0.00 175.52 176.85 3myb h THR 232 N 0.34 1.24 -0.37 0.00 2.02 -1.04 -1.65 112.91 113.44 3myb h THR 232 Ca 0.02 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.22 3myb h THR 232 Cb 0.91 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3myb h THR 232 CO 0.08 0.31 -0.24 -0.03 0.37 0.00 0.00 175.52 176.01 3myb h MET 233 N 0.60 0.75 -0.74 6.66 4.05 -0.61 0.41 114.93 126.04 3myb h MET 233 Ca 0.14 -0.31 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 3myb h MET 233 Cb 0.37 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 3myb h MET 233 CO 0.01 0.91 0.32 0.00 0.23 0.00 0.00 176.91 178.38 3myb h ALA 234 N 1.08 1.17 -0.23 0.39 0.00 -1.12 -0.33 119.26 120.22 3myb h ALA 234 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3myb h ALA 234 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3myb h ALA 234 CO 0.06 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 3myb h ASN 236 N 0.19 1.02 0.66 0.00 -0.00 -0.54 -2.35 115.58 114.56 3myb h ASN 236 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.32 3myb h ASN 236 Cb 0.53 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.62 3myb h ASN 236 CO 0.02 0.67 -0.20 -0.03 -0.00 0.00 0.00 177.43 177.89 3myb h MET 237 N 1.17 0.00 -0.00 6.67 4.05 -0.88 -1.27 114.93 124.67 3myb h MET 237 Ca 0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 3myb h MET 237 Cb 0.11 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3myb h MET 237 CO -0.15 0.20 -0.02 -1.33 0.23 0.00 0.00 176.91 175.84 3myb n MET 238 N -3.53 0.18 -2.13 0.39 2.81 -0.89 -4.02 117.12 109.94 3myb n MET 238 Ca -0.01 -0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.46 3myb n MET 238 Cb 0.36 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 3myb n MET 238 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3myb s ASP 239 N -2.82 6.80 0.51 7.83 2.15 -0.48 -4.89 116.67 125.77 3myb s ASP 239 Ca 0.20 2.58 0.24 0.00 0.43 0.00 0.00 52.55 56.00 3myb s ASP 239 Cb 0.19 -2.63 1.34 0.00 -0.30 0.00 0.00 42.92 41.53 3myb s ASP 239 CO 0.51 -0.56 1.97 -0.65 -0.17 0.00 0.00 175.17 176.27 3myb h PRO 240 N 4.43 0.08 -0.08 4.34 0.11 -1.88 -1.14 132.00 137.86 3myb h PRO 240 Ca -0.47 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3myb h PRO 240 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3myb h PRO 240 CO 0.72 0.05 -0.58 0.66 -0.21 0.00 0.00 178.00 178.64 3myb h SER 241 N 0.08 0.27 -0.14 -2.05 4.64 -1.91 -0.47 113.55 113.97 3myb h SER 241 Ca 0.30 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3myb h SER 241 Cb 1.07 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3myb h SER 241 CO -0.03 0.79 -0.27 0.00 -0.87 0.00 0.00 176.83 176.46 3myb h ALA 242 N 1.21 0.22 -0.62 5.18 0.00 -1.46 0.42 119.26 124.21 3myb h ALA 242 Ca -0.00 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3myb h ALA 242 Cb 1.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3myb h ALA 242 CO 0.09 0.21 0.34 -0.07 0.00 0.00 0.00 179.25 179.82 3myb h LEU 243 N 0.03 0.51 -0.36 0.00 3.38 -1.30 -0.85 115.31 116.72 3myb h LEU 243 Ca 0.01 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3myb h LEU 243 Cb 0.85 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3myb h LEU 243 CO 0.06 0.34 -0.41 -0.08 0.09 0.00 0.00 178.44 178.44 3myb h GLU 244 N 0.64 0.91 -0.79 1.13 4.57 -1.12 -1.65 114.58 118.28 3myb h GLU 244 Ca 0.27 -0.50 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3myb h GLU 244 Cb 0.15 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 3myb h GLU 244 CO -0.17 1.15 0.52 0.78 -1.18 0.00 0.00 179.01 180.11 3myb h GLY 245 N 0.72 1.11 0.73 1.92 0.00 -0.61 0.13 103.07 107.07 3myb h GLY 245 Ca 0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3myb h GLY 245 CO 0.10 0.39 -0.22 -2.08 0.00 0.00 0.00 176.54 174.72 3myb h VAL 246 N 1.05 1.38 -0.61 4.60 2.07 -1.15 -2.16 116.25 121.42 3myb h VAL 246 Ca 0.29 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.38 3myb h VAL 246 Cb -0.10 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3myb h VAL 246 CO -0.07 0.43 0.33 -1.28 0.02 0.00 0.00 177.57 177.00 3myb h SER 247 N -0.06 0.47 -0.63 0.57 0.87 -1.09 -1.27 113.55 112.42 3myb h SER 247 Ca 0.01 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3myb h SER 247 Cb 0.81 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 3myb h SER 247 CO 0.05 0.31 0.40 0.00 -0.53 0.00 0.00 176.83 177.06 3myb h ALA 248 N 1.33 0.81 -0.62 6.23 0.00 -0.70 0.01 119.26 126.32 3myb h ALA 248 Ca 0.28 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3myb h ALA 248 Cb 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3myb h ALA 248 CO -0.18 0.17 0.34 0.35 0.00 0.00 0.00 179.25 179.93 3myb h PHE 249 N 0.79 0.63 0.00 0.00 3.57 -0.95 -1.27 116.94 119.72 3myb h PHE 249 Ca 0.24 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 3myb h PHE 249 Cb -0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3myb h PHE 249 CO -0.04 0.31 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.83 3myb h LEU 250 N 0.65 0.00 -2.43 0.59 3.38 -0.51 -2.54 115.31 114.45 3myb h LEU 250 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3myb h LEU 250 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3myb h LEU 250 CO -0.16 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 178.20 3myb n GLU 251 N -3.97 2.68 -3.85 1.13 1.02 -0.08 -4.97 120.64 112.60 3myb n GLU 251 Ca -0.02 -2.33 -0.28 0.00 -0.02 0.00 0.00 57.16 54.52 3myb n GLU 251 Cb 0.48 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3myb n GLU 251 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3myb n LYS 252 N 1.27 -2.68 -4.06 3.49 5.02 -0.65 -4.99 118.16 115.55 3myb n LYS 252 Ca 0.21 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.84 3myb n LYS 252 Cb 0.59 -4.39 -0.09 0.00 -0.02 0.00 0.00 35.03 31.12 3myb n LYS 252 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3myb s ARG 253 N -6.35 0.90 0.28 1.97 1.70 -0.57 -5.05 118.95 111.82 3myb s ARG 253 Ca 0.16 -1.28 -0.29 0.00 -0.47 0.00 0.00 55.73 53.85 3myb s ARG 253 Cb -0.06 0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 3myb s ARG 253 CO 0.88 -0.26 1.07 -0.98 -1.08 0.00 0.00 175.30 174.92 3myb s ARG 254 N -3.98 4.64 0.43 3.89 1.70 -1.26 -4.20 118.95 120.17 3myb s ARG 254 Ca 0.17 1.74 -0.24 0.00 -0.47 0.00 0.00 55.73 56.93 3myb s ARG 254 Cb 0.06 -3.15 -0.08 0.00 -0.57 0.00 0.00 34.95 31.21 3myb s ARG 254 CO -0.03 0.23 1.15 -1.25 -1.08 0.00 0.00 175.30 174.32 3myb s PRO 255 N -1.49 3.90 -1.07 3.89 0.04 -1.26 -4.95 135.00 134.06 3myb s PRO 255 Ca 0.45 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 3myb s PRO 255 Cb -0.30 -2.49 0.20 0.00 0.04 0.00 0.00 34.50 31.95 3myb s PRO 255 CO 0.39 -0.42 1.18 -1.21 0.04 0.00 0.00 177.00 176.98 3myb s GLU 256 N -2.57 3.97 0.00 4.56 2.02 -1.26 -4.76 118.70 120.66 3myb s GLU 256 Ca 0.61 -2.62 0.17 0.00 0.02 0.00 0.00 54.97 53.15 3myb s GLU 256 Cb -0.28 -4.79 -0.10 0.00 0.10 0.00 0.00 34.13 29.06 3myb s GLU 256 CO 0.34 -1.54 0.80 0.91 0.02 0.00 0.00 175.26 175.80 3myb n TRP 257 N 4.65 0.00 -2.66 1.61 8.01 -1.26 -4.97 117.44 122.82 3myb n TRP 257 Ca 0.27 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.29 3myb n TRP 257 Cb 0.43 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.73 3myb n TRP 257 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3myb n HIS 258 N -0.80 -1.46 1.19 -5.99 8.25 -1.26 -5.01 115.22 110.14 3myb n HIS 258 Ca 0.05 0.15 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 3myb n HIS 258 Cb 0.31 -3.30 0.26 0.00 1.12 0.00 0.00 29.99 28.38 3myb n HIS 258 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23