#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx n ASP 2 N 0.00 5.80 0.00 6.12 2.03 -1.26 -4.93 116.55 124.31 2kbx n ASP 2 Ca 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.44 2kbx n ASP 2 Cb 0.00 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.84 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kbx n ASP 3 N 4.49 0.00 0.09 1.67 9.92 -1.26 -1.83 116.55 129.63 2kbx n ASP 3 Ca 0.57 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.78 2kbx n ASP 3 Cb 0.33 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.92 2kbx n ASP 3 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2kbx h ILE 4 N 0.00 1.40 -0.92 0.53 5.03 -1.95 -2.80 117.51 118.82 2kbx h ILE 4 Ca 0.00 -2.06 0.25 0.00 -0.12 0.00 0.00 64.86 62.93 2kbx h ILE 4 Cb 0.00 2.06 -0.14 0.00 -3.03 0.00 0.00 36.82 35.72 2kbx h ILE 4 CO 0.00 0.61 0.37 -0.26 -0.68 0.00 0.00 178.15 178.18 2kbx h PHE 5 N 0.15 0.59 0.04 1.37 0.04 -1.78 2.37 116.94 119.72 2kbx h PHE 5 Ca -0.01 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2kbx h PHE 5 Cb 1.15 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2kbx h PHE 5 CO 0.02 -0.15 -0.02 1.15 -0.60 0.00 0.00 178.31 178.71 2kbx h THR 6 N 0.30 0.41 0.00 -1.55 2.02 -1.37 -3.06 112.91 109.66 2kbx h THR 6 Ca 0.60 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2kbx h THR 6 Cb 1.24 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2kbx h THR 6 CO -0.61 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.42 2kbx n GLN 7 N -4.78 0.07 -0.06 6.66 6.02 -0.76 -2.18 117.38 122.36 2kbx n GLN 7 Ca -0.03 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 2kbx n GLN 7 Cb 0.13 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kbx n ARG 9 N -4.32 0.21 0.00 0.00 -4.01 -1.08 -2.44 116.66 105.02 2kbx n ARG 9 Ca -0.05 0.14 0.03 0.00 -1.04 0.00 0.00 57.85 56.92 2kbx n ARG 9 Cb 0.20 -1.50 0.17 0.00 -3.04 0.00 0.00 32.46 28.29 2kbx n ARG 9 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kbx n GLU 10 N -1.21 0.20 -0.35 2.89 -0.58 -0.93 -4.67 120.64 115.99 2kbx n GLU 10 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2kbx n GLU 10 Cb 0.08 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kbx n GLY 11 N -0.57 0.77 2.30 0.62 0.00 -1.02 -4.93 105.19 102.35 2kbx n GLY 11 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2kbx n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 12 N 0.00 7.46 -0.32 1.61 3.02 -1.17 -4.61 115.26 121.24 2kbx n ASN 12 Ca 0.00 -2.50 0.32 0.00 -0.03 0.00 0.00 54.58 52.37 2kbx n ASN 12 Cb 0.00 -1.44 0.50 0.00 -0.61 0.00 0.00 39.78 38.23 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx n ALA 13 N 3.46 1.15 0.07 5.41 0.00 -1.26 0.33 120.51 129.68 2kbx n ALA 13 Ca 0.66 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 54.37 2kbx n ALA 13 Cb 0.34 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 2kbx n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kbx h VAL 14 N 0.00 1.42 0.01 0.00 3.04 -1.94 -3.05 116.25 115.73 2kbx h VAL 14 Ca 0.57 -2.52 -0.24 0.00 -1.01 0.00 0.00 66.70 63.50 2kbx h VAL 14 Cb 2.98 2.47 0.01 0.00 -2.01 0.00 0.00 31.29 34.73 2kbx h VAL 14 CO -0.01 0.75 -0.98 0.00 -1.01 0.00 0.00 177.57 176.32 2kbx h ALA 15 N 0.77 0.29 -0.71 3.17 0.00 0.52 -2.63 119.26 120.68 2kbx h ALA 15 Ca -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2kbx h ALA 15 Cb 1.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2kbx h ALA 15 CO 0.16 0.78 0.42 -0.39 0.00 0.00 0.00 179.25 180.22 2kbx h VAL 16 N 0.27 1.21 -0.24 0.00 -1.51 -1.40 -1.98 116.25 112.59 2kbx h VAL 16 Ca -0.10 -0.47 -0.12 0.00 -1.23 0.00 0.00 66.70 64.79 2kbx h VAL 16 Cb 1.62 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 2kbx h VAL 16 CO 0.18 0.22 -0.34 0.08 -1.23 0.00 0.00 177.57 176.47 2kbx h ARG 17 N 0.96 0.52 -0.22 5.19 0.11 -1.54 -1.83 114.38 117.58 2kbx h ARG 17 Ca 0.25 -0.23 0.06 0.00 0.10 0.00 0.00 59.98 60.15 2kbx h ARG 17 Cb -0.02 -0.01 -0.07 0.00 1.11 0.00 0.00 29.97 30.98 2kbx h ARG 17 CO -0.05 0.79 -0.35 1.25 0.10 0.00 0.00 179.97 181.72 2kbx h LEU 18 N 0.44 -1.10 -0.48 0.08 6.46 -0.97 0.42 115.31 120.16 2kbx h LEU 18 Ca 0.05 0.17 -0.16 0.00 -0.12 0.00 0.00 57.88 57.82 2kbx h LEU 18 Cb 0.80 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 2kbx h LEU 18 CO 0.07 -0.36 -0.76 4.11 -0.62 0.00 0.00 178.44 180.88 2kbx h TRP 19 N -0.37 0.07 -0.24 1.25 5.08 -1.47 -3.00 115.95 117.27 2kbx h TRP 19 Ca 0.11 -0.03 -0.04 0.00 1.08 0.00 0.00 58.89 60.01 2kbx h TRP 19 Cb 0.56 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.70 2kbx h TRP 19 CO -0.47 0.78 -0.02 1.25 -1.28 0.00 0.00 178.44 178.70 2kbx h LEU 20 N 0.03 0.33 -3.18 0.11 6.46 -0.39 -1.28 115.31 117.39 2kbx h LEU 20 Ca -0.01 -0.05 -0.28 0.00 -0.12 0.00 0.00 57.88 57.41 2kbx h LEU 20 Cb 1.34 -0.09 -0.17 0.00 -0.73 0.00 0.00 40.66 41.01 2kbx h LEU 20 CO 0.10 0.41 0.36 -0.67 -0.62 0.00 0.00 178.44 178.02 2kbx n ASP 21 N -4.32 3.56 -4.60 1.25 2.03 0.14 -4.89 116.55 109.73 2kbx n ASP 21 Ca 0.00 -2.96 -0.43 0.00 0.52 0.00 0.00 54.79 51.93 2kbx n ASP 21 Cb 0.22 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 2kbx n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kbx s ASN 22 N -0.47 6.44 0.02 1.67 4.22 -0.48 -4.83 114.94 121.51 2kbx s ASN 22 Ca 0.36 0.55 0.01 0.00 -2.14 0.00 0.00 52.86 51.64 2kbx s ASN 22 Cb 0.30 -2.55 0.04 0.00 1.28 0.00 0.00 41.25 40.32 2kbx s ASN 22 CO 0.07 -1.40 0.75 1.07 -2.04 0.00 0.00 177.10 175.56 2kbx n THR 23 N 6.93 0.85 -0.01 0.54 5.66 -1.26 0.10 114.28 127.09 2kbx n THR 23 Ca 0.14 0.52 -0.11 0.00 -3.05 0.00 0.00 64.05 61.54 2kbx n THR 23 Cb 0.49 -1.52 -0.14 0.00 -1.55 0.00 0.00 70.33 67.61 2kbx n THR 23 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2kbx h GLU 24 N 0.00 0.06 -6.44 1.09 3.07 -1.94 -3.49 114.58 106.93 2kbx h GLU 24 Ca 0.00 -0.10 -0.41 0.00 -0.50 0.00 0.00 59.36 58.35 2kbx h GLU 24 Cb 0.58 0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.54 2kbx h GLU 24 CO 0.00 0.67 -0.86 0.09 -1.40 0.00 0.00 179.01 177.51 2kbx n ASN 25 N -3.16 -5.36 0.00 1.42 5.03 0.28 -4.87 115.26 108.61 2kbx n ASN 25 Ca -0.19 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.39 2kbx n ASN 25 Cb 1.05 -2.63 0.00 0.00 -1.02 0.00 0.00 39.78 37.18 2kbx n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbx n ASP 26 N -2.41 1.05 0.00 6.41 8.00 -1.26 -4.73 116.55 123.61 2kbx n ASP 26 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2kbx n ASP 26 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 2kbx n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kbx n LEU 27 N -1.85 0.00 -1.18 0.64 4.77 -1.26 -2.17 117.00 115.95 2kbx n LEU 27 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2kbx n LEU 27 Cb 0.14 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2kbx n LEU 27 CO 0.00 -0.17 0.41 0.59 -1.33 0.00 0.00 177.39 176.89 2kbx n ASN 28 N -1.08 2.33 -4.89 -1.43 4.13 -1.26 -4.82 115.26 108.23 2kbx n ASN 28 Ca 0.00 -1.45 -0.29 0.00 1.68 0.00 0.00 54.58 54.52 2kbx n ASN 28 Cb 0.15 -0.43 0.07 0.00 -1.54 0.00 0.00 39.78 38.03 2kbx n ASN 28 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kbx s GLN 29 N 0.45 2.38 0.00 3.52 -0.44 -0.92 -4.56 119.66 120.08 2kbx s GLN 29 Ca 0.00 0.27 0.00 0.00 -2.50 0.00 0.00 55.36 53.13 2kbx s GLN 29 Cb 0.00 -1.99 0.00 0.00 -1.64 0.00 0.00 33.01 29.38 2kbx s GLN 29 CO 0.00 -1.33 0.00 0.41 0.50 0.00 0.00 175.29 174.87 2kbx n GLY 30 N -3.17 0.98 3.28 2.59 0.00 -1.25 -4.48 105.19 103.12 2kbx n GLY 30 Ca 0.07 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2kbx n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kbx s ASP 31 N 1.60 1.60 0.00 1.61 2.15 -0.97 -4.92 116.67 117.73 2kbx s ASP 31 Ca 0.00 -1.14 0.30 0.00 0.43 0.00 0.00 52.55 52.14 2kbx s ASP 31 Cb 0.00 0.04 1.59 0.00 -0.30 0.00 0.00 42.92 44.25 2kbx s ASP 31 CO 0.00 -0.48 2.08 0.47 -0.17 0.00 0.00 175.17 177.07 2kbx n ASP 32 N -0.29 0.00 -0.35 -0.34 8.00 -1.26 -2.55 116.55 119.76 2kbx n ASP 32 Ca -0.07 -0.32 0.13 0.00 0.71 0.00 0.00 54.79 55.24 2kbx n ASP 32 Cb 0.63 -0.23 0.38 0.00 -0.02 0.00 0.00 41.12 41.88 2kbx n ASP 32 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kbx n HIS 33 N -1.23 0.00 0.00 1.24 8.25 -1.26 -4.90 115.22 117.32 2kbx n HIS 33 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2kbx n HIS 33 Cb 0.21 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbx n GLY 34 N 1.31 1.91 3.74 -1.41 0.00 -1.06 -4.32 105.19 105.36 2kbx n GLY 34 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2kbx n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kbx s PHE 35 N -2.00 3.65 0.39 1.61 0.08 -1.23 -4.76 117.98 115.72 2kbx s PHE 35 Ca 0.00 1.25 0.08 0.00 0.12 0.00 0.00 56.93 58.37 2kbx s PHE 35 Cb 0.00 -2.70 -0.07 0.00 -0.57 0.00 0.00 43.02 39.68 2kbx s PHE 35 CO 0.00 0.25 0.03 -1.54 -0.10 0.00 0.00 175.22 173.86 2kbx s SER 36 N 0.16 4.03 0.40 1.36 1.04 -1.26 -2.30 113.70 117.14 2kbx s SER 36 Ca 0.34 -1.20 0.10 0.00 0.48 0.00 0.00 55.95 55.67 2kbx s SER 36 Cb -0.18 -0.43 0.90 0.00 0.10 0.00 0.00 66.02 66.40 2kbx s SER 36 CO 0.18 -0.39 1.97 -0.65 0.98 0.00 0.00 173.24 175.33 2kbx h PRO 37 N 1.74 0.55 -0.56 4.02 0.10 -1.80 -0.31 132.00 135.73 2kbx h PRO 37 Ca -0.43 -0.03 0.10 0.00 0.10 0.00 0.00 66.00 65.73 2kbx h PRO 37 Cb 1.25 -0.12 -0.08 0.00 0.10 0.00 0.00 31.00 32.15 2kbx h PRO 37 CO 0.74 0.36 0.14 1.25 0.10 0.00 0.00 178.00 180.60 2kbx h LEU 38 N 0.57 0.06 0.29 2.35 7.12 -1.96 1.46 115.31 125.19 2kbx h LEU 38 Ca 0.29 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.39 2kbx h LEU 38 Cb 0.41 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2kbx h LEU 38 CO -0.09 0.05 -0.24 0.45 -0.13 0.00 0.00 178.44 178.47 2kbx h HIS 39 N 0.29 -0.66 -0.40 1.25 3.86 -1.44 1.55 115.15 119.60 2kbx h HIS 39 Ca 0.29 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.58 2kbx h HIS 39 Cb 0.40 0.25 -0.07 0.00 1.06 0.00 0.00 27.41 29.05 2kbx h HIS 39 CO -0.22 -0.33 -0.03 -1.49 0.86 0.00 0.00 177.93 176.72 2kbx h TRP 40 N -0.51 -0.09 0.59 2.45 4.06 -1.25 -2.21 115.95 118.99 2kbx h TRP 40 Ca -0.04 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 2kbx h TRP 40 Cb 0.43 0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 2kbx h TRP 40 CO -0.10 -0.11 -0.37 0.00 -3.56 0.00 0.00 178.44 174.29 2kbx h ALA 41 N 1.37 -0.94 -0.43 1.49 0.00 0.24 -1.03 119.26 119.95 2kbx h ALA 41 Ca 0.20 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2kbx h ALA 41 Cb 0.29 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2kbx h ALA 41 CO -0.36 -1.05 0.67 0.00 0.00 0.00 0.00 179.25 178.51 2kbx h ARG 43 N 0.00 0.00 -0.13 0.00 2.43 -0.61 -3.37 114.38 112.70 2kbx h ARG 43 Ca 0.21 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2kbx h ARG 43 Cb 1.54 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.04 2kbx h ARG 43 CO -0.00 0.43 -0.43 0.93 -1.51 0.00 0.00 179.97 179.39 2kbx h GLU 44 N -1.00 -0.42 0.00 0.20 4.39 -0.35 -3.47 114.58 113.93 2kbx h GLU 44 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kbx h GLU 44 Cb 0.44 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2kbx h GLU 44 CO -0.00 -0.28 0.00 0.41 -1.16 0.00 0.00 179.01 177.98 2kbx n GLY 45 N -1.33 0.41 3.33 -3.84 0.00 -0.98 -5.03 105.19 97.75 2kbx n GLY 45 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2kbx n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx n ARG 46 N 0.00 0.77 -0.64 1.61 3.00 -1.26 -4.67 116.66 115.46 2kbx n ARG 46 Ca 0.00 -1.50 0.49 0.00 -0.01 0.00 0.00 57.85 56.84 2kbx n ARG 46 Cb 0.00 -2.83 0.77 0.00 0.00 0.00 0.00 32.46 30.40 2kbx n ARG 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2kbx n SER 47 N 9.15 0.05 0.00 0.55 7.64 -1.26 -2.25 113.62 127.50 2kbx n SER 47 Ca 0.48 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.41 2kbx n SER 47 Cb 0.42 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbx n ALA 48 N -2.81 0.00 -0.53 -0.43 0.00 -1.26 -0.82 120.51 114.66 2kbx n ALA 48 Ca 0.43 0.00 0.43 0.00 0.00 0.00 0.00 53.44 54.29 2kbx n ALA 48 Cb 1.87 0.00 0.70 0.00 0.00 0.00 0.00 19.45 22.02 2kbx n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kbx n VAL 49 N -0.47 -0.18 0.26 0.00 0.24 -0.95 -0.85 118.33 116.38 2kbx n VAL 49 Ca 0.00 1.70 -0.11 0.00 -2.04 0.00 0.00 64.34 63.89 2kbx n VAL 49 Cb 0.00 -2.79 -0.05 0.00 -1.47 0.00 0.00 33.84 29.53 2kbx n VAL 49 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2kbx h VAL 50 N 0.00 0.00 -1.02 3.34 2.07 -1.41 -1.94 116.25 117.29 2kbx h VAL 50 Ca 0.88 -0.34 0.24 0.00 0.82 0.00 0.00 66.70 68.30 2kbx h VAL 50 Cb 3.03 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 32.69 2kbx h VAL 50 CO -0.34 0.00 0.63 1.05 0.02 0.00 0.00 177.57 178.92 2kbx h GLU 51 N -1.05 0.52 0.08 1.57 4.11 0.10 -0.49 114.58 119.42 2kbx h GLU 51 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 2kbx h GLU 51 Cb 0.54 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kbx h GLU 51 CO 0.12 0.35 -0.04 0.52 0.07 0.00 0.00 179.01 180.03 2kbx h MET 52 N 0.54 -0.10 -0.78 1.06 2.86 -1.42 -3.11 114.93 113.98 2kbx h MET 52 Ca 0.61 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.38 2kbx h MET 52 Cb 1.27 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.88 2kbx h MET 52 CO -0.39 0.30 0.39 1.25 1.06 0.00 0.00 176.91 179.52 2kbx h LEU 53 N -0.53 0.50 -1.69 1.22 7.12 -0.39 0.71 115.31 122.25 2kbx h LEU 53 Ca -0.01 0.07 0.24 0.00 0.13 0.00 0.00 57.88 58.31 2kbx h LEU 53 Cb 0.45 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.51 2kbx h LEU 53 CO 0.02 0.25 0.64 0.40 -0.13 0.00 0.00 178.44 179.61 2kbx h ILE 54 N 0.62 0.60 0.00 4.05 1.08 -1.08 0.35 117.51 123.13 2kbx h ILE 54 Ca 0.40 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.74 2kbx h ILE 54 Cb 0.49 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2kbx h ILE 54 CO -0.31 0.04 -0.28 0.24 -0.69 0.00 0.00 178.15 177.15 2kbx h MET 55 N 0.24 0.00 -0.03 2.37 2.86 -0.86 -3.16 114.93 116.34 2kbx h MET 55 Ca 0.48 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.13 2kbx h MET 55 Cb 1.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.12 2kbx h MET 55 CO -0.12 0.24 0.02 -0.09 1.06 0.00 0.00 176.91 178.02 2kbx h ARG 56 N 0.00 0.00 0.00 1.72 9.65 -0.05 -3.44 114.38 122.26 2kbx h ARG 56 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2kbx h ARG 56 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2kbx h ARG 56 CO 0.03 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.21 2kbx n GLY 57 N -1.54 -0.84 3.70 2.80 0.00 -1.20 -5.11 105.19 103.00 2kbx n GLY 57 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2kbx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx s ALA 58 N -0.16 3.73 0.40 4.61 0.00 -1.24 -4.97 121.76 124.13 2kbx s ALA 58 Ca 0.00 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 2kbx s ALA 58 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2kbx s ALA 58 CO 0.00 -1.08 0.86 1.03 0.00 0.00 0.00 175.76 176.57 2kbx s ARG 59 N 2.38 4.06 0.05 0.00 3.00 -1.26 -4.76 118.95 122.40 2kbx s ARG 59 Ca 0.75 0.86 0.27 0.00 0.00 0.00 0.00 55.73 57.61 2kbx s ARG 59 Cb -0.42 -2.29 0.84 0.00 0.00 0.00 0.00 34.95 33.08 2kbx s ARG 59 CO 0.33 0.00 1.67 -0.89 0.00 0.00 0.00 175.30 176.42 2kbx n ILE 60 N -0.75 0.14 0.80 1.52 -0.00 -1.26 -3.44 119.36 116.37 2kbx n ILE 60 Ca 0.05 -0.08 0.13 0.00 -0.00 0.00 0.00 62.75 62.86 2kbx n ILE 60 Cb 0.54 -0.24 0.48 0.00 -0.00 0.00 0.00 39.64 40.41 2kbx n ILE 60 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2kbx n ASN 61 N -1.69 0.44 -4.47 4.38 5.03 -1.26 -4.38 115.26 113.31 2kbx n ASN 61 Ca 0.06 0.48 -0.40 0.00 0.87 0.00 0.00 54.58 55.59 2kbx n ASN 61 Cb 0.37 -0.57 0.02 0.00 -1.02 0.00 0.00 39.78 38.58 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2kbx n VAL 62 N -1.89 2.02 -3.84 2.41 0.24 -1.22 -4.95 118.33 111.09 2kbx n VAL 62 Ca 0.06 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 2kbx n VAL 62 Cb 0.39 -0.65 -0.12 0.00 -1.47 0.00 0.00 33.84 31.98 2kbx n VAL 62 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2kbx s MET 63 N -1.85 0.19 0.60 7.34 1.75 -1.26 -4.25 119.30 121.82 2kbx s MET 63 Ca 0.66 0.08 -0.09 0.00 -1.25 0.00 0.00 55.69 55.08 2kbx s MET 63 Cb -0.51 0.09 -0.02 0.00 2.84 0.00 0.00 34.83 37.22 2kbx s MET 63 CO 0.56 -0.03 0.97 0.54 -0.65 0.00 0.00 175.02 176.41 2kbx s ASN 64 N -0.17 6.03 0.50 1.11 4.22 -1.06 -4.86 114.94 120.72 2kbx s ASN 64 Ca -0.02 1.17 0.30 0.00 -2.14 0.00 0.00 52.86 52.17 2kbx s ASN 64 Cb -0.02 -2.24 1.64 0.00 1.28 0.00 0.00 41.25 41.92 2kbx s ASN 64 CO 0.00 -0.90 1.91 0.08 -2.04 0.00 0.00 177.10 176.16 2kbx h ARG 65 N -0.23 0.00 -1.01 3.55 0.11 -1.93 0.42 114.38 115.30 2kbx h ARG 65 Ca -0.45 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.35 2kbx h ARG 65 Cb 1.21 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.13 2kbx h ARG 65 CO 0.62 0.00 0.35 0.41 0.10 0.00 0.00 179.97 181.45 2kbx n GLY 66 N -1.21 3.35 3.35 0.08 0.00 -1.26 -4.92 105.19 104.59 2kbx n GLY 66 Ca -0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2kbx n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbx n ASP 67 N -0.37 -6.06 -3.20 1.61 5.75 0.14 -4.99 116.55 109.42 2kbx n ASP 67 Ca 0.32 0.06 0.01 0.00 -0.01 0.00 0.00 54.79 55.17 2kbx n ASP 67 Cb 1.12 -2.26 -0.03 0.00 -1.03 0.00 0.00 41.12 38.92 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kbx s ASP 68 N -1.56 -1.00 0.38 -1.12 -1.08 -1.25 -4.91 116.67 106.13 2kbx s ASP 68 Ca 0.30 0.63 -0.01 0.00 -0.52 0.00 0.00 52.55 52.96 2kbx s ASP 68 Cb -0.04 1.89 -0.03 0.00 -1.46 0.00 0.00 42.92 43.28 2kbx s ASP 68 CO 0.74 -0.28 0.61 0.42 0.52 0.00 0.00 175.17 177.18 2kbx s THR 69 N 2.78 5.01 0.26 1.71 -4.23 -1.26 -2.56 115.64 117.35 2kbx s THR 69 Ca 0.18 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 2kbx s THR 69 Cb -0.15 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.10 2kbx s THR 69 CO -0.21 -0.62 1.81 -0.65 -0.54 0.00 0.00 174.62 174.41 2kbx h PRO 70 N 0.61 0.81 -0.32 3.99 0.10 -1.76 -2.07 132.00 133.35 2kbx h PRO 70 Ca -0.49 -0.05 0.07 0.00 0.10 0.00 0.00 66.00 65.63 2kbx h PRO 70 Cb 1.22 -0.18 -0.08 0.00 0.10 0.00 0.00 31.00 32.05 2kbx h PRO 70 CO 0.61 0.54 -0.28 1.25 0.10 0.00 0.00 178.00 180.22 2kbx h LEU 71 N 0.84 -0.92 0.25 2.35 5.85 -1.94 1.59 115.31 123.34 2kbx h LEU 71 Ca 0.45 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.33 2kbx h LEU 71 Cb 0.48 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2kbx h LEU 71 CO -0.28 -0.30 -0.25 0.45 -0.34 0.00 0.00 178.44 177.72 2kbx h HIS 72 N -0.25 -0.69 -0.57 1.25 3.86 -1.77 0.31 115.15 117.29 2kbx h HIS 72 Ca 0.16 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.48 2kbx h HIS 72 Cb 0.50 0.27 -0.11 0.00 1.06 0.00 0.00 27.41 29.13 2kbx h HIS 72 CO -0.46 -0.33 -0.25 -0.07 0.86 0.00 0.00 177.93 177.68 2kbx h LEU 73 N -0.50 -0.86 0.26 2.43 3.38 -1.04 1.97 115.31 120.95 2kbx h LEU 73 Ca -0.03 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2kbx h LEU 73 Cb 0.43 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2kbx h LEU 73 CO -0.03 -0.26 -0.39 0.00 0.09 0.00 0.00 178.44 177.85 2kbx h ALA 74 N 1.26 -0.77 0.00 1.53 0.00 0.26 -1.06 119.26 120.48 2kbx h ALA 74 Ca 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2kbx h ALA 74 Cb 0.51 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kbx h ALA 74 CO -0.64 -0.98 -0.16 0.00 0.00 0.00 0.00 179.25 177.47 2kbx h ALA 75 N -0.26 1.17 -0.25 0.00 0.00 0.61 -3.05 119.26 117.48 2kbx h ALA 75 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2kbx h ALA 75 Cb 0.68 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2kbx h ALA 75 CO -0.14 0.20 -0.12 1.03 0.00 0.00 0.00 179.25 180.22 2kbx h SER 76 N 0.00 -0.41 0.66 0.00 0.87 0.45 -2.81 113.55 112.31 2kbx h SER 76 Ca -0.00 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2kbx h SER 76 Cb 0.49 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2kbx h SER 76 CO 0.02 -0.15 -0.47 -0.74 -0.53 0.00 0.00 176.83 174.95 2kbx h HIS 77 N -0.09 -1.28 0.00 2.24 6.17 -1.38 -3.47 115.15 117.34 2kbx h HIS 77 Ca 0.13 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.21 2kbx h HIS 77 Cb 0.29 0.47 0.00 0.00 2.52 0.00 0.00 27.41 30.69 2kbx h HIS 77 CO -0.30 -0.68 0.00 0.41 0.71 0.00 0.00 177.93 178.07 2kbx n GLY 78 N -1.57 0.35 3.56 5.26 0.00 -1.06 -5.06 105.19 106.67 2kbx n GLY 78 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2kbx n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kbx s HIS 79 N -0.80 1.62 0.44 1.61 3.76 -1.26 -4.76 115.29 115.90 2kbx s HIS 79 Ca 0.00 1.06 0.26 0.00 -0.15 0.00 0.00 55.06 56.23 2kbx s HIS 79 Cb 0.00 -3.84 1.30 0.00 1.11 0.00 0.00 32.58 31.15 2kbx s HIS 79 CO 0.00 -1.59 1.73 0.07 -0.85 0.00 0.00 174.74 174.10 2kbx h ARG 80 N 11.51 0.21 0.31 1.40 -0.00 -1.96 -0.94 114.38 124.92 2kbx h ARG 80 Ca 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2kbx h ARG 80 Cb 1.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.89 2kbx h ARG 80 CO 1.15 0.14 -0.34 -0.44 -0.00 0.00 0.00 179.97 180.48 2kbx h ASP 81 N 0.22 -0.93 -0.62 0.08 3.32 -2.00 -1.10 116.42 115.39 2kbx h ASP 81 Ca 0.66 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.89 2kbx h ASP 81 Cb 2.02 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 41.85 2kbx h ASP 81 CO -0.26 -0.47 0.41 0.40 -1.72 0.00 0.00 179.24 177.60 2kbx h ILE 82 N -0.69 0.89 0.61 0.35 2.04 -1.56 -2.48 117.51 116.67 2kbx h ILE 82 Ca -0.01 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2kbx h ILE 82 Cb 0.64 0.43 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2kbx h ILE 82 CO -0.08 0.08 -0.29 0.58 0.00 0.00 0.00 178.15 178.43 2kbx h VAL 83 N 0.42 0.00 -0.98 1.67 2.07 -1.00 -1.88 116.25 116.55 2kbx h VAL 83 Ca 0.29 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.85 2kbx h VAL 83 Cb 0.56 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 2kbx h VAL 83 CO -0.08 0.00 0.62 0.06 0.02 0.00 0.00 177.57 178.18 2kbx h GLN 84 N -0.94 0.80 -0.01 1.57 3.07 -0.99 0.74 115.11 119.36 2kbx h GLN 84 Ca -0.08 -0.05 -0.21 0.00 0.09 0.00 0.00 58.65 58.40 2kbx h GLN 84 Cb 0.63 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 2kbx h GLN 84 CO 0.14 0.53 -0.90 1.57 0.09 0.00 0.00 178.83 180.26 2kbx h LYS 85 N 0.82 0.33 0.00 0.06 5.09 -1.44 -1.15 116.57 120.29 2kbx h LYS 85 Ca 0.53 -0.35 0.00 0.00 0.09 0.00 0.00 60.65 60.92 2kbx h LYS 85 Cb 0.74 0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.17 2kbx h LYS 85 CO -0.30 1.04 -0.99 1.47 -2.09 0.00 0.00 179.45 178.58 2kbx n LEU 86 N -3.72 0.79 0.09 7.07 -0.00 -0.71 -3.77 117.00 116.74 2kbx n LEU 86 Ca -0.05 0.28 0.12 0.00 -0.00 0.00 0.00 56.01 56.36 2kbx n LEU 86 Cb 0.81 -0.08 0.13 0.00 -0.00 0.00 0.00 43.42 44.29 2kbx n LEU 86 CO 0.50 -0.15 0.31 0.25 -0.00 0.00 0.00 177.39 178.30 2kbx h LEU 87 N 0.00 0.00 -0.99 1.47 6.46 0.49 -3.30 115.31 119.44 2kbx h LEU 87 Ca 0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2kbx h LEU 87 Cb 0.95 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2kbx h LEU 87 CO 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 178.44 177.89 2kbx n GLN 88 N -2.35 1.64 -0.05 1.25 10.64 -0.44 -2.44 117.38 125.63 2kbx n GLN 88 Ca 0.02 -0.98 -0.04 0.00 -1.83 0.00 0.00 57.00 54.18 2kbx n GLN 88 Cb 0.48 -1.32 -0.01 0.00 -0.86 0.00 0.00 30.24 28.52 2kbx n GLN 88 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2kbx n TYR 89 N 0.23 0.56 -0.30 2.61 4.02 -1.24 -4.77 117.16 118.26 2kbx n TYR 89 Ca 0.14 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 2kbx n TYR 89 Cb 0.27 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 2kbx n TYR 89 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2kbx n LYS 90 N -3.93 1.17 -3.79 -0.72 5.02 -1.26 -5.02 118.16 109.63 2kbx n LYS 90 Ca -0.06 -0.92 -0.27 0.00 -2.02 0.00 0.00 58.31 55.04 2kbx n LYS 90 Cb 0.22 -0.85 0.02 0.00 -0.02 0.00 0.00 35.03 34.39 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kbx n ALA 91 N -0.23 -2.24 0.59 7.82 0.00 -1.02 -4.75 120.51 120.68 2kbx n ALA 91 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2kbx n ALA 91 Cb 0.24 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2kbx n ALA 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kbx n ASP 92 N -2.87 0.86 0.14 0.00 2.03 -1.26 -3.03 116.55 112.41 2kbx n ASP 92 Ca -0.22 -1.19 -0.23 0.00 0.52 0.00 0.00 54.79 53.68 2kbx n ASP 92 Cb 0.65 -0.30 -0.15 0.00 -0.72 0.00 0.00 41.12 40.59 2kbx n ASP 92 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kbx h ILE 93 N 0.09 1.32 0.00 5.18 -0.00 -1.91 -3.13 117.51 119.06 2kbx h ILE 93 Ca 0.00 -2.78 0.00 0.00 -0.00 0.00 0.00 64.86 62.08 2kbx h ILE 93 Cb 0.36 3.02 0.00 0.00 -0.00 0.00 0.00 36.82 40.20 2kbx h ILE 93 CO 0.00 0.83 0.00 0.59 -0.00 0.00 0.00 178.15 179.57 2kbx n ASN 94 N -3.67 0.00 -4.13 2.19 3.02 -1.17 -4.38 115.26 107.12 2kbx n ASN 94 Ca -0.15 -0.17 -0.35 0.00 -0.03 0.00 0.00 54.58 53.88 2kbx n ASN 94 Cb 1.09 -0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.92 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx s ALA 95 N -2.43 3.04 1.32 5.41 0.00 -1.18 -5.10 121.76 122.82 2kbx s ALA 95 Ca 0.23 -2.32 -0.20 0.00 0.00 0.00 0.00 51.96 49.67 2kbx s ALA 95 Cb 0.14 -2.25 0.30 0.00 0.00 0.00 0.00 23.12 21.31 2kbx s ALA 95 CO 0.30 -1.65 0.86 1.33 0.00 0.00 0.00 175.76 176.60 2kbx n VAL 96 N 4.57 0.00 0.10 0.00 0.24 -1.26 -4.95 118.33 117.04 2kbx n VAL 96 Ca -0.05 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 2kbx n VAL 96 Cb 0.42 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 31.70 2kbx n VAL 96 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kbx h ASN 97 N -2.98 -0.29 0.00 -1.34 -0.00 -1.92 -3.48 115.58 105.58 2kbx h ASN 97 Ca -0.35 -0.18 0.00 0.00 -0.00 0.00 0.00 56.30 55.77 2kbx h ASN 97 Cb 1.13 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 2kbx h ASN 97 CO 0.22 0.21 0.00 -1.84 -0.00 0.00 0.00 177.43 176.02 2kbx n GLU 98 N -5.01 0.00 0.00 4.14 0.28 -1.26 -4.94 120.64 113.85 2kbx n GLU 98 Ca -0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.04 2kbx n GLU 98 Cb 0.23 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.11 2kbx n GLU 98 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kbx n HIS 99 N 0.00 0.00 0.00 -1.84 -0.00 -1.26 -4.92 115.22 107.20 2kbx n HIS 99 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kbx n HIS 99 Cb 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.79 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 100 N 1.49 1.65 3.58 1.57 0.00 -1.26 -4.22 105.19 107.99 2kbx n GLY 100 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2kbx n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kbx s ASN 101 N -2.00 6.49 0.31 1.61 0.01 -1.26 -4.75 114.94 115.34 2kbx s ASN 101 Ca 0.00 -2.22 -0.29 0.00 -0.71 0.00 0.00 52.86 49.64 2kbx s ASN 101 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 2kbx s ASN 101 CO 0.00 -1.54 1.19 -0.69 -1.51 0.00 0.00 177.10 174.56 2kbx s VAL 102 N 5.50 3.13 0.47 1.60 1.01 -1.26 -3.95 120.40 126.90 2kbx s VAL 102 Ca 0.56 1.13 0.29 0.00 0.00 0.00 0.00 61.98 63.96 2kbx s VAL 102 Cb 0.03 -3.72 0.48 0.00 0.00 0.00 0.00 36.38 33.17 2kbx s VAL 102 CO 0.07 0.27 1.76 -0.65 0.00 0.00 0.00 175.10 176.55 2kbx h PRO 103 N 3.59 0.17 -0.00 2.72 0.11 -1.93 0.10 132.00 136.75 2kbx h PRO 103 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kbx h PRO 103 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kbx h PRO 103 CO 0.66 0.11 0.00 1.25 -0.21 0.00 0.00 178.00 179.81 2kbx h LEU 104 N 0.17 0.01 -0.83 2.35 7.12 -1.95 0.55 115.31 122.73 2kbx h LEU 104 Ca 0.62 -0.20 0.20 0.00 0.13 0.00 0.00 57.88 58.63 2kbx h LEU 104 Cb 2.03 -0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 42.03 2kbx h LEU 104 CO -0.18 0.21 0.22 0.45 -0.13 0.00 0.00 178.44 179.01 2kbx h HIS 105 N -0.19 0.34 -0.04 1.25 3.86 -1.15 1.60 115.15 120.81 2kbx h HIS 105 Ca 0.00 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2kbx h HIS 105 Cb 0.20 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2kbx h HIS 105 CO -0.01 -0.15 -0.21 -0.92 0.86 0.00 0.00 177.93 177.50 2kbx h TYR 106 N 0.25 0.30 -0.72 2.45 5.03 -1.29 -2.15 116.97 120.83 2kbx h TYR 106 Ca 0.50 -0.13 0.05 0.00 2.58 0.00 0.00 58.73 61.73 2kbx h TYR 106 Cb 0.95 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 39.13 2kbx h TYR 106 CO -0.26 0.85 0.42 0.00 -1.32 0.00 0.00 178.16 177.85 2kbx h ALA 107 N 0.39 0.96 0.00 1.82 0.00 0.23 -0.87 119.26 121.78 2kbx h ALA 107 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2kbx h ALA 107 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kbx h ALA 107 CO 0.04 0.14 -0.40 0.00 0.00 0.00 0.00 179.25 179.03 2kbx h PHE 109 N 0.00 0.00 0.38 0.00 3.57 -0.47 -2.71 116.94 117.71 2kbx h PHE 109 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2kbx h PHE 109 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2kbx h PHE 109 CO 0.00 0.10 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.51 2kbx h TRP 110 N 0.00 -0.47 0.00 0.41 4.06 -1.05 -3.49 115.95 115.41 2kbx h TRP 110 Ca -0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2kbx h TRP 110 Cb 0.20 0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2kbx h TRP 110 CO 0.00 -0.17 0.00 0.41 -3.56 0.00 0.00 178.44 175.12 2kbx n GLY 111 N 0.13 0.96 2.74 1.49 0.00 -1.02 -5.12 105.19 104.37 2kbx n GLY 111 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2kbx n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kbx s GLN 112 N 0.09 0.75 0.33 1.61 1.03 -1.26 -5.01 119.66 117.19 2kbx s GLN 112 Ca 0.00 -0.90 0.01 0.00 0.04 0.00 0.00 55.36 54.51 2kbx s GLN 112 Cb 0.00 -2.03 0.55 0.00 0.03 0.00 0.00 33.01 31.56 2kbx s GLN 112 CO 0.00 -0.88 1.95 -0.44 -2.54 0.00 0.00 175.29 173.38 2kbx h ASP 113 N 8.13 0.74 -0.14 12.60 3.32 -1.98 -2.99 116.42 136.10 2kbx h ASP 113 Ca -0.15 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.87 2kbx h ASP 113 Cb 1.04 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 2kbx h ASP 113 CO 0.43 0.61 -0.39 0.06 -1.72 0.00 0.00 179.24 178.24 2kbx h GLN 114 N 0.84 -0.36 -0.78 3.56 3.07 -1.99 0.48 115.11 119.92 2kbx h GLN 114 Ca 0.21 0.02 0.01 0.00 0.09 0.00 0.00 58.65 58.99 2kbx h GLN 114 Cb 0.03 0.08 -0.04 0.00 0.08 0.00 0.00 27.48 27.63 2kbx h GLN 114 CO -0.03 -0.24 0.52 -0.39 0.09 0.00 0.00 178.83 178.77 2kbx h VAL 115 N -0.38 1.18 -0.11 1.86 -1.51 -1.93 -0.84 116.25 114.52 2kbx h VAL 115 Ca 0.03 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 2kbx h VAL 115 Cb 0.46 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2kbx h VAL 115 CO -0.34 0.19 -0.04 0.00 -1.23 0.00 0.00 177.57 176.15 2kbx h ALA 116 N 1.52 1.73 0.27 5.19 0.00 -1.03 -2.46 119.26 124.47 2kbx h ALA 116 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kbx h ALA 116 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kbx h ALA 116 CO -0.07 0.21 -0.13 1.49 0.00 0.00 0.00 179.25 180.75 2kbx h GLU 117 N 0.16 -0.35 -0.88 0.00 4.22 0.14 -2.79 114.58 115.08 2kbx h GLU 117 Ca 0.04 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.60 2kbx h GLU 117 Cb 0.18 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2kbx h GLU 117 CO 0.01 -0.01 0.57 0.38 -2.18 0.00 0.00 179.01 177.78 2kbx h ASP 118 N -0.81 0.77 0.76 1.04 3.04 -1.33 0.42 116.42 120.32 2kbx h ASP 118 Ca -0.04 0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 53.74 2kbx h ASP 118 Cb 0.51 -0.14 0.01 0.00 -1.04 0.00 0.00 39.33 38.67 2kbx h ASP 118 CO 0.06 0.45 -0.36 -0.07 -2.04 0.00 0.00 179.24 177.28 2kbx h LEU 119 N 0.86 -0.86 -1.08 0.15 3.38 -1.41 -0.18 115.31 116.17 2kbx h LEU 119 Ca 0.41 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2kbx h LEU 119 Cb 0.43 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2kbx h LEU 119 CO -0.17 -0.53 0.35 -0.37 0.09 0.00 0.00 178.44 177.80 2kbx h VAL 120 N -1.16 1.22 0.00 1.22 -1.51 -1.34 0.46 116.25 115.15 2kbx h VAL 120 Ca -0.10 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2kbx h VAL 120 Cb 0.80 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2kbx h VAL 120 CO 0.17 0.26 0.00 0.00 -1.23 0.00 0.00 177.57 176.77 2kbx n ALA 121 N -2.44 1.78 0.52 5.19 0.00 0.12 -0.89 120.51 124.80 2kbx n ALA 121 Ca 0.07 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2kbx n ALA 121 Cb 0.13 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.40 2kbx n ALA 121 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kbx n ASN 122 N -1.18 0.60 0.00 0.00 5.15 0.16 -4.92 115.26 115.07 2kbx n ASN 122 Ca 0.07 -0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2kbx n ASN 122 Cb 0.07 0.83 0.00 0.00 -0.53 0.00 0.00 39.78 40.15 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kbx n GLY 123 N 1.35 0.95 0.15 8.20 0.00 -0.07 -5.01 105.19 110.76 2kbx n GLY 123 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx h ALA 124 N 0.00 0.33 -1.44 4.61 0.00 -1.53 -3.50 119.26 117.73 2kbx h ALA 124 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kbx h ALA 124 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kbx h ALA 124 CO 0.00 0.04 -0.36 -0.11 0.00 0.00 0.00 179.25 178.82 2kbx n LEU 125 N -4.66 -1.05 -0.77 0.00 7.94 -1.24 -4.61 117.00 112.62 2kbx n LEU 125 Ca -0.03 1.14 0.11 0.00 -1.11 0.00 0.00 56.01 56.12 2kbx n LEU 125 Cb 0.23 -0.57 0.31 0.00 0.53 0.00 0.00 43.42 43.92 2kbx n LEU 125 CO 0.37 -0.07 0.75 1.33 -1.11 0.00 0.00 177.39 178.66 2kbx n VAL 126 N -1.45 0.25 -1.13 1.96 0.24 -1.26 -3.99 118.33 112.94 2kbx n VAL 126 Ca 0.00 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.79 2kbx n VAL 126 Cb 0.09 0.69 0.27 0.00 -1.47 0.00 0.00 33.84 33.42 2kbx n VAL 126 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kbx n SER 127 N 0.78 4.07 0.28 -1.34 3.41 -1.26 -4.62 113.62 114.94 2kbx n SER 127 Ca 0.17 -3.31 -0.14 0.00 -0.26 0.00 0.00 58.87 55.32 2kbx n SER 127 Cb 0.45 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2kbx h ILE 128 N 2.02 0.29 -1.35 -1.33 1.08 -1.82 -3.49 117.51 112.91 2kbx h ILE 128 Ca 0.22 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2kbx h ILE 128 Cb 2.03 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 2kbx h ILE 128 CO 0.57 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 178.07 2kbx n ASN 130 N 0.00 0.00 0.11 0.00 5.03 -1.26 -4.61 115.26 114.53 2kbx n ASN 130 Ca 0.00 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.57 2kbx n ASN 130 Cb 0.00 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.04 2kbx n ASN 130 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2kbx h LYS 131 N 0.00 0.00 0.00 3.52 3.64 -1.86 -3.22 116.57 118.65 2kbx h LYS 131 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kbx h LYS 131 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kbx h LYS 131 CO 0.00 0.00 -0.04 0.98 -2.27 0.00 0.00 179.45 178.12 2kbx n TYR 132 N -2.41 0.00 -2.33 1.91 9.36 -1.26 -4.97 117.16 117.46 2kbx n TYR 132 Ca 0.04 -0.59 -0.17 0.00 3.32 0.00 0.00 57.90 60.50 2kbx n TYR 132 Cb 0.46 -0.08 -0.01 0.00 -0.63 0.00 0.00 39.34 39.08 2kbx n TYR 132 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2kbx n GLY 133 N -0.75 -0.33 3.56 2.98 0.00 -1.22 -4.90 105.19 104.53 2kbx n GLY 133 Ca 0.06 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2kbx n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbx s GLU 134 N -4.86 3.63 0.21 1.61 2.56 -1.26 -4.68 118.70 115.90 2kbx s GLU 134 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 54.97 53.80 2kbx s GLU 134 Cb -0.00 -5.38 -0.03 0.00 2.00 0.00 0.00 34.13 30.72 2kbx s GLU 134 CO 0.01 -2.21 0.35 0.00 -0.56 0.00 0.00 175.26 172.84 2kbx s MET 135 N 4.91 3.46 0.44 4.30 0.23 -1.26 -4.48 119.30 126.89 2kbx s MET 135 Ca 0.47 -0.60 0.17 0.00 -1.03 0.00 0.00 55.69 54.70 2kbx s MET 135 Cb 0.00 -2.89 1.10 0.00 -1.53 0.00 0.00 34.83 31.51 2kbx s MET 135 CO -0.08 0.44 1.91 -1.35 -2.03 0.00 0.00 175.02 173.91 2kbx h PRO 136 N 1.63 0.35 -0.99 3.16 0.10 -1.94 -1.08 132.00 133.23 2kbx h PRO 136 Ca -0.50 -0.02 0.23 0.00 0.10 0.00 0.00 66.00 65.81 2kbx h PRO 136 Cb 1.21 -0.08 -0.12 0.00 0.10 0.00 0.00 31.00 32.11 2kbx h PRO 136 CO 0.65 0.23 0.58 0.28 0.10 0.00 0.00 178.00 179.85 2kbx h VAL 137 N 0.36 0.57 0.00 3.15 2.07 -1.92 1.86 116.25 122.34 2kbx h VAL 137 Ca 0.38 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 2kbx h VAL 137 Cb 0.96 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2kbx h VAL 137 CO -0.12 0.11 -0.11 -0.78 0.02 0.00 0.00 177.57 176.70 2kbx h ASP 138 N 0.61 0.00 0.15 0.57 3.58 -1.58 -2.30 116.42 117.45 2kbx h ASP 138 Ca 0.62 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kbx h ASP 138 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2kbx h ASP 138 CO -0.46 0.86 0.00 1.17 -2.88 0.00 0.00 179.24 177.93 2kbx n LYS 139 N -4.65 0.02 -0.00 0.28 4.81 -0.90 -0.94 118.16 116.78 2kbx n LYS 139 Ca -0.08 0.37 -0.19 0.00 -0.87 0.00 0.00 58.31 57.54 2kbx n LYS 139 Cb 0.33 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.74 2kbx n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbx n ALA 140 N -1.45 1.02 1.20 3.14 0.00 0.63 -3.99 120.51 121.07 2kbx n ALA 140 Ca 0.01 -0.64 0.12 0.00 0.00 0.00 0.00 53.44 52.93 2kbx n ALA 140 Cb 0.05 -0.69 0.38 0.00 0.00 0.00 0.00 19.45 19.19 2kbx n ALA 140 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kbx n LYS 141 N -3.38 1.87 -0.11 0.00 -0.00 -0.50 -1.37 118.16 114.67 2kbx n LYS 141 Ca -0.29 -1.28 -0.23 0.00 -0.00 0.00 0.00 58.31 56.51 2kbx n LYS 141 Cb 1.05 -1.45 -0.10 0.00 -0.00 0.00 0.00 35.03 34.53 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx n ALA 142 N 0.53 0.88 -0.18 0.58 0.00 -0.11 -4.42 120.51 117.79 2kbx n ALA 142 Ca 0.17 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 2kbx n ALA 142 Cb 0.40 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.57 2kbx n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kbx h PRO 143 N -1.00 0.65 0.00 0.00 0.11 -1.75 -3.46 132.00 126.55 2kbx h PRO 143 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kbx h PRO 143 Cb 1.33 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kbx h PRO 143 CO -0.25 0.43 0.00 -0.11 -0.21 0.00 0.00 178.00 177.86 2kbx n LEU 144 N -4.76 0.00 0.00 2.35 7.94 -1.26 -5.07 117.00 116.20 2kbx n LEU 144 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2kbx n LEU 144 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2kbx n LEU 144 CO 0.34 0.00 0.29 -1.14 -1.11 0.00 0.00 177.39 175.77 2kbx n ARG 145 N 0.00 0.00 0.00 1.96 3.00 -0.94 -4.68 116.66 116.01 2kbx n ARG 145 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 2kbx n ARG 145 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2kbx n ARG 145 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kbx n GLU 146 N -0.92 0.00 0.13 -0.14 2.13 -0.47 -4.52 120.64 116.84 2kbx n GLU 146 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2kbx n GLU 146 Cb 0.00 -2.31 -0.15 0.00 0.27 0.00 0.00 31.44 29.25 2kbx n GLU 146 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2kbx h LEU 147 N 0.00 0.70 -1.12 4.31 8.10 -1.86 -2.86 115.31 122.58 2kbx h LEU 147 Ca 0.00 -0.78 -0.04 0.00 0.11 0.00 0.00 57.88 57.17 2kbx h LEU 147 Cb 0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 39.99 2kbx h LEU 147 CO 0.00 1.62 -0.21 0.25 -4.11 0.00 0.00 178.44 175.99 2kbx h LEU 148 N 0.12 0.00 0.28 0.17 5.85 -1.89 -2.64 115.31 117.20 2kbx h LEU 148 Ca -0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2kbx h LEU 148 Cb 2.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 2kbx h LEU 148 CO 0.24 0.21 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.33 2kbx h ARG 149 N 0.00 -0.36 -0.87 1.25 2.43 -1.83 -2.49 114.38 112.51 2kbx h ARG 149 Ca -0.00 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2kbx h ARG 149 Cb 0.74 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 2kbx h ARG 149 CO 0.03 -0.04 0.58 1.05 -1.51 0.00 0.00 179.97 180.08 2kbx h GLU 150 N -0.73 1.14 -0.85 0.20 4.11 -1.43 0.37 114.58 117.39 2kbx h GLU 150 Ca -0.04 -0.07 0.10 0.00 0.07 0.00 0.00 59.36 59.43 2kbx h GLU 150 Cb 0.49 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2kbx h GLU 150 CO 0.06 0.76 0.55 -0.09 0.07 0.00 0.00 179.01 180.36 2kbx h ARG 151 N 1.18 0.76 0.05 1.06 9.65 -1.36 1.03 114.38 126.74 2kbx h ARG 151 Ca 0.32 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.99 2kbx h ARG 151 Cb -0.13 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.27 2kbx h ARG 151 CO -0.07 0.51 -0.82 0.00 2.80 0.00 0.00 179.97 182.39 2kbx h ALA 152 N 1.58 0.11 0.00 2.80 0.00 -0.74 -2.62 119.26 120.39 2kbx h ALA 152 Ca 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kbx h ALA 152 Cb 0.48 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kbx h ALA 152 CO -0.17 0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.93 2kbx n GLU 153 N -4.32 0.11 -0.11 0.00 1.02 0.12 -1.45 120.64 116.00 2kbx n GLU 153 Ca -0.21 0.43 0.06 0.00 -0.02 0.00 0.00 57.16 57.42 2kbx n GLU 153 Cb 0.69 -1.75 0.12 0.00 -0.02 0.00 0.00 31.44 30.47 2kbx n GLU 153 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kbx n LYS 154 N -1.97 1.96 0.07 3.49 4.81 0.35 -3.96 118.16 122.91 2kbx n LYS 154 Ca 0.01 -1.72 0.12 0.00 -0.87 0.00 0.00 58.31 55.86 2kbx n LYS 154 Cb 0.15 -1.26 0.26 0.00 0.02 0.00 0.00 35.03 34.20 2kbx n LYS 154 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2kbx n MET 155 N 0.60 0.27 0.00 1.64 1.56 -0.53 -4.94 117.12 115.71 2kbx n MET 155 Ca 0.10 0.12 0.00 0.00 -0.27 0.00 0.00 57.70 57.65 2kbx n MET 155 Cb 0.38 -1.71 0.00 0.00 2.15 0.00 0.00 33.22 34.03 2kbx n MET 155 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kbx n GLY 156 N 1.34 0.75 0.00 -5.12 0.00 -1.26 -5.06 105.19 95.84 2kbx n GLY 156 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2kbx n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kbx n GLN 157 N 0.00 0.00 -0.11 1.61 0.00 -1.26 -4.98 117.38 112.64 2kbx n GLN 157 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.00 56.76 2kbx n GLN 157 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 2kbx n GLN 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2kbx n ASN 158 N -0.33 1.96 -4.08 2.61 4.13 -1.26 -4.55 115.26 113.75 2kbx n ASN 158 Ca 0.00 0.24 -0.43 0.00 1.68 0.00 0.00 54.58 56.07 2kbx n ASN 158 Cb 0.00 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.46 2kbx n ASN 158 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kbx n LEU 159 N -3.98 6.15 -4.55 3.41 -0.00 -1.25 -4.95 117.00 111.82 2kbx n LEU 159 Ca -0.44 -4.63 -0.38 0.00 -0.00 0.00 0.00 56.01 50.57 2kbx n LEU 159 Cb 0.88 -1.51 -0.11 0.00 -0.00 0.00 0.00 43.42 42.67 2kbx n LEU 159 CO 0.18 1.19 -0.20 0.54 -0.00 0.00 0.00 177.39 179.10 2kbx s ASN 160 N 1.35 5.77 0.84 1.45 4.22 -1.26 -4.97 114.94 122.34 2kbx s ASN 160 Ca 0.40 -0.06 -0.15 0.00 -2.14 0.00 0.00 52.86 50.91 2kbx s ASN 160 Cb 0.05 -2.06 -0.01 0.00 1.28 0.00 0.00 41.25 40.50 2kbx s ASN 160 CO 0.01 -0.04 0.38 -1.14 -2.04 0.00 0.00 177.10 174.26 2kbx n ARG 161 N 5.01 0.01 -1.58 3.55 3.00 -1.26 -4.71 116.66 120.68 2kbx n ARG 161 Ca -0.15 0.05 -0.44 0.00 -0.00 0.00 0.00 57.85 57.31 2kbx n ARG 161 Cb 0.52 -1.78 -0.04 0.00 0.00 0.00 0.00 32.46 31.17 2kbx n ARG 161 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2kbx n ILE 162 N -2.93 0.33 -2.24 5.15 0.00 -1.26 -4.91 119.36 113.50 2kbx n ILE 162 Ca 0.08 -0.42 -0.41 0.00 0.00 0.00 0.00 62.75 62.00 2kbx n ILE 162 Cb 0.52 -2.41 -0.03 0.00 0.00 0.00 0.00 39.64 37.71 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2kbx s PRO 163 N 6.27 4.43 0.00 9.51 0.05 -1.26 -5.02 135.00 148.98 2kbx s PRO 163 Ca 1.02 2.04 0.00 0.00 0.05 0.00 0.00 61.00 64.11 2kbx s PRO 163 Cb -0.42 -3.16 0.00 0.00 0.05 0.00 0.00 34.50 30.97 2kbx s PRO 163 CO 0.38 -0.14 0.00 2.48 0.05 0.00 0.00 177.00 179.77 2kbx n TYR 164 N 1.82 0.00 -4.18 0.56 4.11 -1.26 -4.13 117.16 114.08 2kbx n TYR 164 Ca 0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.56 2kbx n TYR 164 Cb 0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.70 2kbx n TYR 164 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2kbx n LYS 165 N 0.00 -0.82 -0.11 -3.48 2.85 -1.26 -4.78 118.16 110.55 2kbx n LYS 165 Ca 0.00 0.12 -0.25 0.00 -1.05 0.00 0.00 58.31 57.14 2kbx n LYS 165 Cb 0.00 -4.26 -0.11 0.00 -0.65 0.00 0.00 35.03 30.01 2kbx n LYS 165 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kbx n ASP 166 N -2.12 1.90 -0.12 -5.58 2.03 -1.26 -4.91 116.55 106.50 2kbx n ASP 166 Ca 0.10 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2kbx n ASP 166 Cb 0.41 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2kbx n ASP 166 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kbx n THR 167 N -4.32 0.00 -3.48 5.18 -2.24 -1.26 -5.08 114.28 103.08 2kbx n THR 167 Ca -0.40 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.10 2kbx n THR 167 Cb 0.77 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 2kbx n THR 167 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2kbx s PHE 168 N 0.00 0.42 0.00 4.78 -0.71 -1.26 -4.84 117.98 116.37 2kbx s PHE 168 Ca 0.00 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 54.70 2kbx s PHE 168 Cb 0.00 -0.85 0.00 0.00 -1.21 0.00 0.00 43.02 40.96 2kbx s PHE 168 CO 0.00 -0.84 0.00 0.91 -1.34 0.00 0.00 175.22 173.95 2kbx n TRP 169 N 4.61 0.00 1.25 3.49 7.02 -1.26 -4.77 117.44 127.77 2kbx n TRP 169 Ca 0.04 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 2kbx n TRP 169 Cb 0.40 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.60 2kbx n TRP 169 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2kbx n LYS 170 N -0.48 1.76 -0.48 -0.99 4.81 -1.26 -5.20 118.16 116.32 2kbx n LYS 170 Ca 0.00 -1.25 0.00 0.00 -0.87 0.00 0.00 58.31 56.19 2kbx n LYS 170 Cb 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98