#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 0.00 0.00 3.17 5.68 -1.26 -4.47 116.55 119.67 2kbx n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2kbx n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2kbx n ASP 3 N 0.00 0.00 -0.09 -1.12 8.00 -1.26 -2.20 116.55 119.88 2kbx n ASP 3 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2kbx n ASP 3 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2kbx n ASP 3 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2kbx h ILE 4 N 0.00 1.28 -0.55 0.53 5.03 -1.93 0.16 117.51 122.02 2kbx h ILE 4 Ca 0.00 -1.64 0.10 0.00 -0.12 0.00 0.00 64.86 63.20 2kbx h ILE 4 Cb 0.00 1.50 -0.11 0.00 -3.03 0.00 0.00 36.82 35.18 2kbx h ILE 4 CO 0.00 0.54 -0.27 -0.26 -0.68 0.00 0.00 178.15 177.48 2kbx h PHE 5 N 0.70 -0.72 0.15 1.37 0.04 -1.75 1.98 116.94 118.71 2kbx h PHE 5 Ca 0.04 0.06 -0.24 0.00 2.80 0.00 0.00 57.97 60.63 2kbx h PHE 5 Cb 1.05 0.40 0.02 0.00 2.20 0.00 0.00 35.95 39.62 2kbx h PHE 5 CO 0.06 -0.35 -1.13 1.15 -0.60 0.00 0.00 178.31 177.44 2kbx h THR 6 N -0.14 1.30 0.00 -1.55 2.02 -1.47 -3.06 112.91 110.01 2kbx h THR 6 Ca 0.24 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.91 2kbx h THR 6 Cb 0.52 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2kbx h THR 6 CO -0.63 0.73 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2kbx n GLN 7 N -3.99 0.44 -0.10 6.66 1.13 0.55 -2.76 117.38 119.31 2kbx n GLN 7 Ca -0.18 0.05 -0.14 0.00 -1.94 0.00 0.00 57.00 54.78 2kbx n GLN 7 Cb 0.90 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.69 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kbx n ARG 9 N -4.45 0.20 0.00 0.00 3.00 -1.16 -2.17 116.66 112.09 2kbx n ARG 9 Ca -0.24 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.66 2kbx n ARG 9 Cb 0.56 -1.45 0.25 0.00 0.00 0.00 0.00 32.46 31.82 2kbx n ARG 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kbx n GLU 10 N -0.95 0.14 -0.34 -0.14 2.13 -1.11 -4.72 120.64 115.65 2kbx n GLU 10 Ca 0.04 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2kbx n GLU 10 Cb 0.02 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.23 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kbx n GLY 11 N -0.45 0.75 2.20 8.31 0.00 -0.92 -4.93 105.19 110.15 2kbx n GLY 11 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 7.08 0.13 1.61 5.03 -1.21 -4.63 115.26 123.27 2kbx n ASN 12 Ca 0.00 -2.60 0.11 0.00 0.87 0.00 0.00 54.58 52.96 2kbx n ASN 12 Cb 0.00 -1.47 0.20 0.00 -1.02 0.00 0.00 39.78 37.49 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kbx h ALA 13 N 4.00 2.32 0.05 5.41 0.00 -1.92 2.84 119.26 131.96 2kbx h ALA 13 Ca 0.54 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.19 2kbx h ALA 13 Cb 0.84 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kbx h ALA 13 CO 1.04 -1.24 -1.18 -0.24 0.00 0.00 0.00 179.25 177.63 2kbx h VAL 14 N 0.00 1.53 0.01 0.00 3.04 -1.96 -3.01 116.25 115.86 2kbx h VAL 14 Ca 0.18 -3.20 -0.20 0.00 -1.01 0.00 0.00 66.70 62.48 2kbx h VAL 14 Cb 2.26 2.84 -0.02 0.00 -2.01 0.00 0.00 31.29 34.37 2kbx h VAL 14 CO -0.00 0.90 -0.89 0.00 -1.01 0.00 0.00 177.57 176.57 2kbx h ALA 15 N 0.82 0.52 -0.41 3.17 0.00 0.47 -2.53 119.26 121.30 2kbx h ALA 15 Ca -0.09 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 2kbx h ALA 15 Cb 1.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2kbx h ALA 15 CO 0.15 0.98 -0.14 -0.39 0.00 0.00 0.00 179.25 179.86 2kbx h VAL 16 N 0.06 1.28 -0.22 0.00 -1.51 -1.47 -2.56 116.25 111.82 2kbx h VAL 16 Ca -0.03 -1.26 -0.07 0.00 -1.23 0.00 0.00 66.70 64.10 2kbx h VAL 16 Cb 1.54 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 2kbx h VAL 16 CO 0.13 0.42 -0.19 -0.09 -1.23 0.00 0.00 177.57 176.61 2kbx h ARG 17 N 0.64 0.38 0.13 5.19 1.12 -1.50 -1.93 114.38 118.41 2kbx h ARG 17 Ca 0.10 -0.12 0.02 0.00 -1.11 0.00 0.00 59.98 58.87 2kbx h ARG 17 Cb 0.68 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.56 2kbx h ARG 17 CO 0.05 0.56 -0.37 1.25 -3.11 0.00 0.00 179.97 178.35 2kbx h LEU 18 N 0.35 -1.09 -0.82 3.80 6.46 -1.03 -1.49 115.31 121.49 2kbx h LEU 18 Ca 0.06 0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 2kbx h LEU 18 Cb 0.54 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 2kbx h LEU 18 CO 0.04 -0.45 -0.48 4.11 -0.62 0.00 0.00 178.44 181.03 2kbx h TRP 19 N -0.61 0.00 -0.15 1.25 5.08 -1.47 -2.71 115.95 117.34 2kbx h TRP 19 Ca 0.03 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.04 2kbx h TRP 19 Cb 0.64 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.79 2kbx h TRP 19 CO -0.33 0.48 0.20 1.25 -1.28 0.00 0.00 178.44 178.76 2kbx h LEU 20 N 0.00 0.00 -3.75 0.11 7.12 -0.48 -1.07 115.31 117.24 2kbx h LEU 20 Ca -0.00 0.00 -0.47 0.00 0.13 0.00 0.00 57.88 57.54 2kbx h LEU 20 Cb 1.00 0.00 -0.20 0.00 -0.53 0.00 0.00 40.66 40.94 2kbx h LEU 20 CO 0.06 0.00 0.59 -0.90 -0.13 0.00 0.00 178.44 178.06 2kbx n ASP 21 N -3.66 6.93 -4.53 1.25 5.68 -0.75 -4.93 116.55 116.54 2kbx n ASP 21 Ca 0.01 -3.34 -0.27 0.00 -0.50 0.00 0.00 54.79 50.68 2kbx n ASP 21 Cb 0.31 -1.04 -0.12 0.00 -1.14 0.00 0.00 41.12 39.13 2kbx n ASP 21 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2kbx n ASN 22 N -0.08 0.78 0.00 -1.12 5.03 -0.41 -4.65 115.26 114.80 2kbx n ASN 22 Ca 0.43 -0.64 0.01 0.00 0.87 0.00 0.00 54.58 55.25 2kbx n ASN 22 Cb 0.60 -1.20 0.04 0.00 -1.02 0.00 0.00 39.78 38.20 2kbx n ASN 22 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2kbx n THR 23 N 7.49 0.68 0.34 3.41 -2.24 -1.26 -0.01 114.28 122.68 2kbx n THR 23 Ca 0.54 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 62.54 2kbx n THR 23 Cb 0.30 -1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 2kbx n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kbx n GLU 24 N -1.18 2.63 -3.32 -0.78 1.02 -1.26 -5.04 120.64 112.70 2kbx n GLU 24 Ca 0.01 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2kbx n GLU 24 Cb 0.01 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kbx n ASN 25 N -1.43 -6.75 0.05 1.62 5.03 0.99 -4.90 115.26 109.88 2kbx n ASN 25 Ca 0.01 -0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.08 2kbx n ASN 25 Cb 0.19 -4.01 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 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 -2.05 -0.67 0.00 6.41 8.00 -1.26 -4.82 116.55 122.15 2kbx n ASP 26 Ca -0.11 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2kbx n ASP 26 Cb 0.57 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.77 0.00 -1.27 0.64 4.77 -1.26 -1.56 117.00 115.55 2kbx n LEU 27 Ca 0.00 0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2kbx n LEU 27 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2kbx n LEU 27 CO 0.00 -0.23 0.77 -0.46 -1.33 0.00 0.00 177.39 176.14 2kbx n ASN 28 N -1.18 4.24 -4.64 -1.43 6.94 -1.26 -4.86 115.26 113.07 2kbx n ASN 28 Ca 0.00 -2.23 -0.29 0.00 -0.02 0.00 0.00 54.58 52.04 2kbx n ASN 28 Cb 0.17 -0.83 0.12 0.00 -2.36 0.00 0.00 39.78 36.88 2kbx n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kbx s GLN 29 N -0.04 1.48 0.00 -3.83 0.00 -0.60 -4.71 119.66 111.96 2kbx s GLN 29 Ca 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 55.36 55.31 2kbx s GLN 29 Cb 0.01 -1.91 0.00 0.00 0.00 0.00 0.00 33.01 31.11 2kbx s GLN 29 CO 0.00 -1.90 0.00 0.41 0.00 0.00 0.00 175.29 173.80 2kbx n GLY 30 N -3.40 2.43 3.25 2.60 0.00 -1.26 -4.19 105.19 104.61 2kbx n GLY 30 Ca 0.10 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 1.00 0.96 0.26 1.61 2.15 0.33 -4.93 116.67 118.05 2kbx s ASP 31 Ca 0.00 -1.27 0.26 0.00 0.43 0.00 0.00 52.55 51.96 2kbx s ASP 31 Cb 0.00 0.19 0.83 0.00 -0.30 0.00 0.00 42.92 43.63 2kbx s ASP 31 CO 0.00 -0.68 1.75 -2.24 -0.17 0.00 0.00 175.17 173.84 2kbx h ASP 32 N 2.61 0.00 0.13 -0.34 2.03 -2.02 -2.74 116.42 116.09 2kbx h ASP 32 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2kbx h ASP 32 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2kbx h ASP 32 CO 0.60 0.00 -0.08 1.41 -1.03 0.00 0.00 179.24 180.15 2kbx n HIS 33 N -2.38 0.00 0.00 4.15 8.25 -1.26 -4.90 115.22 119.09 2kbx n HIS 33 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2kbx n HIS 33 Cb 0.39 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 1.20 0.87 3.61 -1.41 0.00 -1.03 -3.21 105.19 105.23 2kbx n GLY 34 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 2.59 0.52 1.61 0.08 -1.26 -4.73 117.98 114.80 2kbx s PHE 35 Ca 0.00 0.76 -0.02 0.00 0.12 0.00 0.00 56.93 57.79 2kbx s PHE 35 Cb 0.00 -4.18 0.01 0.00 -0.57 0.00 0.00 43.02 38.28 2kbx s PHE 35 CO 0.00 -1.72 0.78 -1.54 -0.10 0.00 0.00 175.22 172.64 2kbx s SER 36 N 3.22 5.64 0.25 1.36 1.04 -1.26 -0.51 113.70 123.45 2kbx s SER 36 Ca 0.57 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 57.38 2kbx s SER 36 Cb -0.13 -1.51 0.36 0.00 0.10 0.00 0.00 66.02 64.83 2kbx s SER 36 CO 0.29 -0.92 1.87 1.55 0.98 0.00 0.00 173.24 177.01 2kbx h PRO 37 N 0.11 1.05 -0.64 4.02 0.13 -1.84 -1.19 132.00 133.63 2kbx h PRO 37 Ca -0.45 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 64.69 2kbx h PRO 37 Cb 1.26 -0.24 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2kbx h PRO 37 CO 0.58 0.69 0.31 1.25 -0.23 0.00 0.00 178.00 180.61 2kbx h LEU 38 N 1.08 0.42 0.21 1.56 7.12 -1.94 0.62 115.31 124.38 2kbx h LEU 38 Ca 0.40 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.45 2kbx h LEU 38 Cb 0.15 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 2kbx h LEU 38 CO -0.17 0.26 -0.29 0.45 -0.13 0.00 0.00 178.44 178.57 2kbx h HIS 39 N 0.56 -0.81 -0.59 1.25 3.86 -1.59 0.27 115.15 118.10 2kbx h HIS 39 Ca 0.30 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.64 2kbx h HIS 39 Cb 0.28 0.32 -0.09 0.00 1.06 0.00 0.00 27.41 28.98 2kbx h HIS 39 CO -0.11 -0.36 0.07 -1.49 0.86 0.00 0.00 177.93 176.90 2kbx h TRP 40 N -0.52 0.10 0.07 2.45 4.06 -1.15 -2.51 115.95 118.45 2kbx h TRP 40 Ca -0.03 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2kbx h TRP 40 Cb 0.47 0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 2kbx h TRP 40 CO -0.24 -0.09 -0.25 0.00 -3.56 0.00 0.00 178.44 174.30 2kbx h ALA 41 N 1.50 -0.79 -1.37 1.49 0.00 0.10 -0.50 119.26 119.70 2kbx h ALA 41 Ca 0.31 -0.06 0.40 0.00 0.00 0.00 0.00 54.91 55.56 2kbx h ALA 41 Cb 0.48 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2kbx h ALA 41 CO -0.45 -0.84 1.00 0.00 0.00 0.00 0.00 179.25 178.96 2kbx h ARG 43 N 0.00 -0.49 -0.51 0.00 2.43 -0.70 -3.31 114.38 111.80 2kbx h ARG 43 Ca 0.65 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.96 2kbx h ARG 43 Cb 2.64 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 32.20 2kbx h ARG 43 CO -0.01 -0.33 -0.25 1.05 -1.51 0.00 0.00 179.97 178.92 2kbx h GLU 44 N -0.90 -0.13 0.00 0.20 4.11 -0.63 -3.46 114.58 113.77 2kbx h GLU 44 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2kbx h GLU 44 Cb 0.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kbx h GLU 44 CO 0.09 -0.09 0.00 0.41 0.07 0.00 0.00 179.01 179.49 2kbx n GLY 45 N -1.42 0.48 3.57 1.06 0.00 -0.95 -4.99 105.19 102.93 2kbx n GLY 45 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2kbx n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbx s ARG 46 N -0.79 1.48 0.19 1.61 0.52 -1.26 -4.75 118.95 115.95 2kbx s ARG 46 Ca 0.00 -0.07 -0.09 0.00 -0.52 0.00 0.00 55.73 55.05 2kbx s ARG 46 Cb 0.00 -4.91 0.28 0.00 0.52 0.00 0.00 34.95 30.83 2kbx s ARG 46 CO 0.00 -4.89 1.16 -1.13 0.02 0.00 0.00 175.30 170.46 2kbx n SER 47 N 18.75 -0.36 0.00 0.23 3.41 -1.26 -2.46 113.62 131.94 2kbx n SER 47 Ca 0.44 1.29 0.00 0.00 -0.26 0.00 0.00 58.87 60.34 2kbx n SER 47 Cb 0.45 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kbx n ALA 48 N -3.68 0.00 -0.29 7.33 0.00 -1.26 0.25 120.51 122.86 2kbx n ALA 48 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 2kbx n ALA 48 Cb 0.34 0.19 0.04 0.00 0.00 0.00 0.00 19.45 20.02 2kbx n ALA 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kbx h VAL 49 N 0.00 0.10 -0.42 0.00 3.04 -1.86 0.27 116.25 117.37 2kbx h VAL 49 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2kbx h VAL 49 Cb 0.00 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.36 2kbx h VAL 49 CO 0.00 0.00 0.05 1.62 -1.01 0.00 0.00 177.57 178.23 2kbx h VAL 50 N -0.07 1.25 -0.01 1.51 3.04 -1.30 -0.82 116.25 119.85 2kbx h VAL 50 Ca 0.31 -0.92 0.03 0.00 -1.01 0.00 0.00 66.70 65.11 2kbx h VAL 50 Cb 0.58 1.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.85 2kbx h VAL 50 CO -0.84 0.32 -0.17 -0.08 -1.01 0.00 0.00 177.57 175.79 2kbx h GLU 51 N 0.56 -0.27 0.00 4.17 4.81 0.52 0.11 114.58 124.48 2kbx h GLU 51 Ca 0.13 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2kbx h GLU 51 Cb 0.40 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2kbx h GLU 51 CO 0.01 -0.18 -0.41 0.52 -0.73 0.00 0.00 179.01 178.22 2kbx h MET 52 N -0.28 0.00 -0.07 1.92 2.86 -0.49 -3.13 114.93 115.74 2kbx h MET 52 Ca 0.06 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 2kbx h MET 52 Cb 0.36 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.03 2kbx h MET 52 CO -0.17 0.41 -0.62 1.25 1.06 0.00 0.00 176.91 178.84 2kbx h LEU 53 N 0.00 0.67 -1.15 1.22 5.85 -0.53 -2.77 115.31 118.59 2kbx h LEU 53 Ca -0.00 -0.68 0.34 0.00 0.84 0.00 0.00 57.88 58.37 2kbx h LEU 53 Cb 0.74 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.43 2kbx h LEU 53 CO 0.05 1.25 0.65 0.40 -0.34 0.00 0.00 178.44 180.45 2kbx h ILE 54 N 0.14 0.30 0.00 4.05 1.08 -0.93 0.87 117.51 123.02 2kbx h ILE 54 Ca -0.06 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2kbx h ILE 54 Cb 1.28 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2kbx h ILE 54 CO 0.13 0.05 -0.75 0.24 -0.69 0.00 0.00 178.15 177.13 2kbx h MET 55 N 0.29 0.00 -0.84 2.37 2.86 -1.65 -3.31 114.93 114.65 2kbx h MET 55 Ca 0.73 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.37 2kbx h MET 55 Cb 1.84 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.46 2kbx h MET 55 CO -0.51 0.01 0.53 -0.09 1.06 0.00 0.00 176.91 177.91 2kbx h ARG 56 N 0.00 1.13 0.00 1.72 2.43 0.11 -3.44 114.38 116.32 2kbx h ARG 56 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kbx h ARG 56 Cb 1.01 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2kbx h ARG 56 CO 0.00 0.77 0.00 0.41 -1.51 0.00 0.00 179.97 179.65 2kbx n GLY 57 N -1.26 0.00 3.65 2.80 0.00 -1.10 -5.11 105.19 104.17 2kbx n GLY 57 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.42 0.28 4.61 0.00 -1.24 -5.08 121.76 123.75 2kbx s ALA 58 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 2kbx s ALA 58 Cb 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 2kbx s ALA 58 CO 0.00 0.24 0.55 1.03 0.00 0.00 0.00 175.76 177.58 2kbx s ARG 59 N 0.20 3.65 0.00 0.00 0.52 -1.26 -4.76 118.95 117.29 2kbx s ARG 59 Ca 0.04 0.04 0.26 0.00 -0.52 0.00 0.00 55.73 55.56 2kbx s ARG 59 Cb -0.12 -2.65 0.78 0.00 0.52 0.00 0.00 34.95 33.48 2kbx s ARG 59 CO 0.00 0.23 1.60 -0.89 0.02 0.00 0.00 175.30 176.27 2kbx n ILE 60 N -0.82 0.00 -1.94 1.52 -0.00 -1.26 -4.04 119.36 112.82 2kbx n ILE 60 Ca -0.01 -0.01 -0.37 0.00 -0.00 0.00 0.00 62.75 62.36 2kbx n ILE 60 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 40.19 2kbx n ILE 60 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2kbx n ASN 61 N -1.45 7.29 -4.44 4.38 0.23 -1.26 -4.51 115.26 115.50 2kbx n ASN 61 Ca 0.07 -3.62 -0.30 0.00 -0.53 0.00 0.00 54.58 50.20 2kbx n ASN 61 Cb 0.33 -1.14 -0.13 0.00 -2.08 0.00 0.00 39.78 36.76 2kbx n ASN 61 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2kbx s VAL 62 N -4.02 2.67 -0.01 3.53 -7.23 -1.26 -5.11 120.40 108.98 2kbx s VAL 62 Ca 0.52 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.41 2kbx s VAL 62 Cb 0.37 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 2kbx s VAL 62 CO -0.30 0.29 -0.08 0.00 -0.31 0.00 0.00 175.10 174.69 2kbx s MET 63 N -1.57 0.67 0.89 4.82 0.23 -1.26 -4.00 119.30 119.08 2kbx s MET 63 Ca 0.15 -0.29 -0.12 0.00 -1.03 0.00 0.00 55.69 54.39 2kbx s MET 63 Cb -0.10 -0.65 0.12 0.00 -1.53 0.00 0.00 34.83 32.67 2kbx s MET 63 CO 0.06 0.18 1.12 -0.80 -2.03 0.00 0.00 175.02 173.54 2kbx s ASN 64 N -0.19 3.70 0.44 -1.18 0.01 -1.05 -4.75 114.94 111.92 2kbx s ASN 64 Ca 0.03 1.09 0.20 0.00 -0.71 0.00 0.00 52.86 53.47 2kbx s ASN 64 Cb -0.03 -1.72 1.15 0.00 0.41 0.00 0.00 41.25 41.06 2kbx s ASN 64 CO -0.00 -2.45 1.86 -0.09 -1.51 0.00 0.00 177.10 174.91 2kbx h ARG 65 N -1.42 0.33 -1.64 -0.60 2.43 -1.83 0.06 114.38 111.70 2kbx h ARG 65 Ca -0.50 -0.02 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 2kbx h ARG 65 Cb 1.31 -0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.57 2kbx h ARG 65 CO 0.61 0.22 0.70 0.41 -1.51 0.00 0.00 179.97 180.39 2kbx n GLY 66 N -1.55 4.99 3.16 2.80 0.00 -1.26 -4.92 105.19 108.41 2kbx n GLY 66 Ca 0.20 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2kbx n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kbx n ASP 67 N -0.06 -6.67 -3.31 1.61 -0.08 0.01 -4.98 116.55 103.06 2kbx n ASP 67 Ca 0.50 0.47 -0.10 0.00 -1.51 0.00 0.00 54.79 54.15 2kbx n ASP 67 Cb 0.50 -1.56 -0.06 0.00 2.34 0.00 0.00 41.12 42.34 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kbx s ASP 68 N -0.86 0.52 0.33 1.67 -1.08 -1.25 -4.83 116.67 111.17 2kbx s ASP 68 Ca 0.00 -0.47 -0.13 0.00 -0.52 0.00 0.00 52.55 51.43 2kbx s ASP 68 Cb 0.00 1.04 -0.08 0.00 -1.46 0.00 0.00 42.92 42.42 2kbx s ASP 68 CO 0.00 -0.35 0.72 0.42 0.52 0.00 0.00 175.17 176.47 2kbx s THR 69 N 2.48 4.74 0.38 1.71 -4.23 -1.26 -2.52 115.64 116.95 2kbx s THR 69 Ca 0.10 0.79 0.13 0.00 -1.18 0.00 0.00 61.69 61.53 2kbx s THR 69 Cb -0.12 -3.64 0.35 0.00 1.34 0.00 0.00 72.50 70.42 2kbx s THR 69 CO -0.29 -0.26 1.86 -0.65 -0.54 0.00 0.00 174.62 174.74 2kbx h PRO 70 N 2.03 0.53 -0.23 3.99 0.10 -1.79 -1.30 132.00 135.33 2kbx h PRO 70 Ca -0.48 -0.03 0.06 0.00 0.10 0.00 0.00 66.00 65.65 2kbx h PRO 70 Cb 1.18 -0.12 -0.07 0.00 0.10 0.00 0.00 31.00 32.09 2kbx h PRO 70 CO 0.65 0.35 -0.21 1.25 0.10 0.00 0.00 178.00 180.14 2kbx h LEU 71 N 0.54 -0.67 0.10 2.35 5.85 -1.92 2.13 115.31 123.70 2kbx h LEU 71 Ca 0.47 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.31 2kbx h LEU 71 Cb 0.96 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2kbx h LEU 71 CO -0.21 -0.25 -0.11 0.45 -0.34 0.00 0.00 178.44 177.98 2kbx h HIS 72 N -0.21 -0.31 -0.74 1.25 3.86 -1.62 1.73 115.15 119.10 2kbx h HIS 72 Ca 0.13 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.47 2kbx h HIS 72 Cb 0.42 0.12 -0.13 0.00 1.06 0.00 0.00 27.41 28.88 2kbx h HIS 72 CO -0.36 -0.15 -0.36 -0.07 0.86 0.00 0.00 177.93 177.86 2kbx h LEU 73 N -0.21 -1.26 0.35 2.43 3.38 -1.17 1.04 115.31 119.86 2kbx h LEU 73 Ca -0.01 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2kbx h LEU 73 Cb 0.19 0.64 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2kbx h LEU 73 CO -0.02 -0.30 -0.18 0.00 0.09 0.00 0.00 178.44 178.03 2kbx h ALA 74 N 1.14 -1.10 -0.40 1.53 0.00 0.38 -1.31 119.26 119.51 2kbx h ALA 74 Ca 0.28 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.19 2kbx h ALA 74 Cb 0.57 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2kbx h ALA 74 CO -0.80 -1.07 0.71 0.00 0.00 0.00 0.00 179.25 178.09 2kbx h ALA 75 N -1.72 2.12 0.33 0.00 0.00 0.34 -0.28 119.26 120.05 2kbx h ALA 75 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kbx h ALA 75 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kbx h ALA 75 CO 0.07 -0.91 -0.16 1.03 0.00 0.00 0.00 179.25 179.28 2kbx h SER 76 N 0.00 -0.37 -0.85 0.00 0.87 0.23 -2.90 113.55 110.53 2kbx h SER 76 Ca 0.19 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2kbx h SER 76 Cb 1.60 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.61 2kbx h SER 76 CO -0.00 -0.16 0.56 1.12 -0.53 0.00 0.00 176.83 177.82 2kbx h HIS 77 N -0.58 1.00 0.00 2.24 2.07 -0.89 -3.46 115.15 115.53 2kbx h HIS 77 Ca -0.05 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2kbx h HIS 77 Cb 0.42 -0.33 0.00 0.00 2.57 0.00 0.00 27.41 30.07 2kbx h HIS 77 CO -0.02 0.57 0.00 0.41 -3.07 0.00 0.00 177.93 175.82 2kbx n GLY 78 N -1.41 0.77 3.56 6.13 0.00 -1.10 -4.99 105.19 108.16 2kbx n GLY 78 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2kbx n GLY 78 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kbx s HIS 79 N -2.72 1.43 0.30 1.61 5.04 -1.26 -4.82 115.29 114.88 2kbx s HIS 79 Ca 0.00 1.00 0.06 0.00 -1.54 0.00 0.00 55.06 54.58 2kbx s HIS 79 Cb 0.00 -3.91 0.76 0.00 0.04 0.00 0.00 32.58 29.47 2kbx s HIS 79 CO 0.00 -2.69 1.76 -0.09 -2.34 0.00 0.00 174.74 171.38 2kbx h ARG 80 N 16.18 0.69 -0.02 2.88 9.65 -1.97 -1.93 114.38 139.85 2kbx h ARG 80 Ca -0.28 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.59 2kbx h ARG 80 Cb 1.21 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.58 2kbx h ARG 80 CO 1.14 0.45 -0.33 -0.44 2.80 0.00 0.00 179.97 183.59 2kbx h ASP 81 N 0.71 -0.99 -0.64 -3.80 5.19 -2.01 -0.86 116.42 114.02 2kbx h ASP 81 Ca 0.59 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 57.15 2kbx h ASP 81 Cb 0.96 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 40.83 2kbx h ASP 81 CO -0.41 -0.38 0.42 0.40 -3.12 0.00 0.00 179.24 176.15 2kbx h ILE 82 N -0.47 1.12 0.83 0.35 2.04 -1.76 -2.68 117.51 116.94 2kbx h ILE 82 Ca 0.07 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 2kbx h ILE 82 Cb 0.56 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2kbx h ILE 82 CO -0.28 0.15 -0.45 0.58 0.00 0.00 0.00 178.15 178.14 2kbx h VAL 83 N 0.81 0.00 -0.88 1.67 2.07 -0.80 -2.59 116.25 116.52 2kbx h VAL 83 Ca 0.25 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.01 2kbx h VAL 83 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 2kbx h VAL 83 CO -0.06 0.00 0.24 1.56 0.02 0.00 0.00 177.57 179.33 2kbx h GLN 84 N -1.19 0.20 0.41 1.57 1.08 -1.00 1.49 115.11 117.67 2kbx h GLN 84 Ca -0.11 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2kbx h GLN 84 Cb 0.93 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 2kbx h GLN 84 CO 0.15 0.13 -0.50 0.87 -0.95 0.00 0.00 178.83 178.54 2kbx h LYS 85 N 0.21 -0.90 0.00 1.46 1.57 -1.15 -2.50 116.57 115.27 2kbx h LYS 85 Ca 0.56 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2kbx h LYS 85 Cb 1.13 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2kbx h LYS 85 CO -0.66 -0.60 -0.70 1.37 -0.57 0.00 0.00 179.45 178.30 2kbx h LEU 86 N -0.93 0.00 -1.35 2.94 8.10 -1.10 -3.27 115.31 119.70 2kbx h LEU 86 Ca -0.05 -0.13 -0.04 0.00 0.11 0.00 0.00 57.88 57.78 2kbx h LEU 86 Cb 0.83 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.04 2kbx h LEU 86 CO -0.11 0.06 -0.19 0.25 -4.11 0.00 0.00 178.44 174.35 2kbx h LEU 87 N 0.00 0.00 0.00 0.17 5.85 0.22 -2.53 115.31 119.01 2kbx h LEU 87 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2kbx h LEU 87 Cb 0.85 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2kbx h LEU 87 CO 0.00 0.19 -1.81 0.00 -0.34 0.00 0.00 178.44 176.47 2kbx n GLN 88 N -3.42 0.65 0.00 1.25 6.02 -0.95 -3.71 117.38 117.22 2kbx n GLN 88 Ca -0.00 -0.11 -0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2kbx n GLN 88 Cb 0.37 -1.59 -0.00 0.00 1.02 0.00 0.00 30.24 30.04 2kbx n GLN 88 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2kbx h TYR 89 N 0.00 -0.01 0.00 1.08 -1.99 -1.58 -3.43 116.97 111.04 2kbx h TYR 89 Ca -0.05 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2kbx h TYR 89 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 2kbx h TYR 89 CO 0.00 -0.00 -1.01 1.63 -0.00 0.00 0.00 178.16 178.78 2kbx n LYS 90 N -2.06 1.07 -3.89 4.88 4.01 -1.17 -5.03 118.16 115.97 2kbx n LYS 90 Ca -0.00 -0.03 -0.31 0.00 -0.51 0.00 0.00 58.31 57.46 2kbx n LYS 90 Cb 0.00 -1.02 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kbx n ALA 91 N -1.54 -2.29 0.12 7.82 0.00 -0.97 -4.67 120.51 118.97 2kbx n ALA 91 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2kbx n ALA 91 Cb 0.09 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.95 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 -2.75 0.59 0.07 0.00 2.03 -1.26 -3.00 116.55 112.23 2kbx n ASP 92 Ca -0.20 -0.52 -0.06 0.00 0.52 0.00 0.00 54.79 54.53 2kbx n ASP 92 Cb 0.64 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 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 1.03 1.66 0.00 5.18 -0.00 -1.97 -2.94 117.51 120.46 2kbx h ILE 93 Ca 0.00 -3.24 0.00 0.00 -0.00 0.00 0.00 64.86 61.62 2kbx h ILE 93 Cb 0.17 2.75 0.00 0.00 -0.00 0.00 0.00 36.82 39.74 2kbx h ILE 93 CO 0.00 0.92 0.00 0.59 -0.00 0.00 0.00 178.15 179.66 2kbx n ASN 94 N -3.39 1.24 -3.38 2.19 3.02 -1.16 -4.23 115.26 109.54 2kbx n ASN 94 Ca -0.00 -1.88 -0.21 0.00 -0.03 0.00 0.00 54.58 52.45 2kbx n ASN 94 Cb 0.90 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.83 0.09 1.15 5.41 0.00 -1.11 -5.14 121.76 121.32 2kbx s ALA 95 Ca 0.00 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.41 2kbx s ALA 95 Cb 0.00 -1.90 0.27 0.00 0.00 0.00 0.00 23.12 21.49 2kbx s ALA 95 CO 0.00 -2.13 1.19 0.14 0.00 0.00 0.00 175.76 174.96 2kbx s VAL 96 N 1.19 1.70 0.00 0.00 -7.23 -1.26 -5.00 120.40 109.80 2kbx s VAL 96 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2kbx s VAL 96 Cb -0.16 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2kbx s VAL 96 CO -0.02 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.36 2kbx n ASN 97 N -4.50 0.00 -0.00 4.85 3.02 -1.25 -4.88 115.26 112.49 2kbx n ASN 97 Ca 0.15 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.72 2kbx n ASN 97 Cb 0.60 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.65 2kbx n ASN 97 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kbx n GLU 98 N 0.00 0.65 0.06 3.52 1.02 -1.26 -4.15 120.64 120.47 2kbx n GLU 98 Ca 0.00 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 2kbx n GLU 98 Cb 0.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 2kbx n GLU 98 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kbx n HIS 99 N -2.68 0.78 0.00 -0.32 8.25 -1.26 -4.95 115.22 115.04 2kbx n HIS 99 Ca -0.13 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2kbx n HIS 99 Cb 0.82 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbx n GLY 100 N 1.28 1.20 3.53 -1.41 0.00 -1.26 -4.65 105.19 103.88 2kbx n GLY 100 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2kbx n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 101 N 0.00 1.87 -4.85 1.61 5.03 -1.26 -4.71 115.26 112.94 2kbx n ASN 101 Ca 0.00 -0.26 -0.35 0.00 0.87 0.00 0.00 54.58 54.84 2kbx n ASN 101 Cb 0.00 -1.41 -0.06 0.00 -1.02 0.00 0.00 39.78 37.30 2kbx n ASN 101 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2kbx s VAL 102 N 10.99 4.89 0.36 2.41 1.01 -1.26 -3.91 120.40 134.90 2kbx s VAL 102 Ca 1.08 0.78 0.13 0.00 0.00 0.00 0.00 61.98 63.97 2kbx s VAL 102 Cb -0.48 -3.73 0.35 0.00 0.00 0.00 0.00 36.38 32.52 2kbx s VAL 102 CO 0.33 0.27 1.78 -0.65 0.00 0.00 0.00 175.10 176.84 2kbx h PRO 103 N 3.64 0.52 -0.36 2.72 0.11 -1.93 -0.11 132.00 136.59 2kbx h PRO 103 Ca -0.49 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.63 2kbx h PRO 103 Cb 1.19 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2kbx h PRO 103 CO 0.66 0.34 0.14 1.25 -0.21 0.00 0.00 178.00 180.18 2kbx h LEU 104 N 0.53 0.16 -0.69 2.35 5.85 -1.97 1.61 115.31 123.16 2kbx h LEU 104 Ca 0.57 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.47 2kbx h LEU 104 Cb 1.22 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 2kbx h LEU 104 CO -0.32 0.13 0.16 0.45 -0.34 0.00 0.00 178.44 178.52 2kbx h HIS 105 N 0.30 0.25 0.05 1.25 3.86 -1.39 0.12 115.15 119.60 2kbx h HIS 105 Ca 0.16 0.04 -0.27 0.00 -1.16 0.00 0.00 60.37 59.14 2kbx h HIS 105 Cb 0.13 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 28.61 2kbx h HIS 105 CO -0.13 -0.06 -1.11 -0.92 0.86 0.00 0.00 177.93 176.57 2kbx h TYR 106 N 0.28 0.92 -0.95 2.45 3.20 -1.11 -2.36 116.97 119.40 2kbx h TYR 106 Ca 0.38 -0.54 0.07 0.00 3.14 0.00 0.00 58.73 61.78 2kbx h TYR 106 Cb 0.61 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2kbx h TYR 106 CO -0.25 1.38 0.61 0.00 -1.64 0.00 0.00 178.16 178.26 2kbx h ALA 107 N 0.44 1.49 0.00 1.82 0.00 0.37 -0.71 119.26 122.66 2kbx h ALA 107 Ca -0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2kbx h ALA 107 Cb 1.77 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2kbx h ALA 107 CO 0.21 0.36 -0.87 0.00 0.00 0.00 0.00 179.25 178.95 2kbx h PHE 109 N 0.00 0.03 0.00 0.00 3.04 -0.57 -2.68 116.94 116.76 2kbx h PHE 109 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kbx h PHE 109 Cb 1.61 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 40.11 2kbx h PHE 109 CO 0.00 0.02 -0.11 -1.49 -2.02 0.00 0.00 178.31 174.71 2kbx h TRP 110 N 0.03 0.00 0.00 0.41 4.06 -1.35 -3.50 115.95 115.61 2kbx h TRP 110 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 2kbx h TRP 110 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 2kbx h TRP 110 CO -0.00 0.04 0.00 0.41 -3.56 0.00 0.00 178.44 175.33 2kbx n GLY 111 N 1.74 0.63 2.90 1.49 0.00 -1.01 -5.11 105.19 105.83 2kbx n GLY 111 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2kbx n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kbx s GLN 112 N 0.00 1.91 0.38 1.61 -1.52 -1.22 -4.96 119.66 115.87 2kbx s GLN 112 Ca 0.00 -2.61 0.06 0.00 -1.95 0.00 0.00 55.36 50.86 2kbx s GLN 112 Cb 0.00 -3.15 0.76 0.00 -0.22 0.00 0.00 33.01 30.40 2kbx s GLN 112 CO 0.00 -1.14 1.99 -0.44 -0.25 0.00 0.00 175.29 175.45 2kbx h ASP 113 N 6.39 0.47 0.09 5.90 3.32 -1.97 -3.08 116.42 127.54 2kbx h ASP 113 Ca -0.04 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2kbx h ASP 113 Cb 0.88 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 2kbx h ASP 113 CO 0.66 0.42 -0.45 0.06 -1.72 0.00 0.00 179.24 178.20 2kbx h GLN 114 N 0.53 -0.62 -0.91 3.56 3.07 -1.99 0.49 115.11 119.25 2kbx h GLN 114 Ca 0.13 0.04 0.11 0.00 0.09 0.00 0.00 58.65 59.02 2kbx h GLN 114 Cb 0.08 0.14 -0.07 0.00 0.08 0.00 0.00 27.48 27.72 2kbx h GLN 114 CO -0.02 -0.41 0.58 -0.39 0.09 0.00 0.00 178.83 178.69 2kbx h VAL 115 N -0.64 0.94 -0.92 1.86 -1.51 -1.94 -0.79 116.25 113.25 2kbx h VAL 115 Ca -0.00 -0.30 -0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2kbx h VAL 115 Cb 0.65 -0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.75 2kbx h VAL 115 CO -0.25 0.16 0.57 0.00 -1.23 0.00 0.00 177.57 176.82 2kbx h ALA 116 N 1.56 1.17 -0.42 5.19 0.00 -1.17 -1.97 119.26 123.62 2kbx h ALA 116 Ca 0.43 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.30 2kbx h ALA 116 Cb 0.47 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2kbx h ALA 116 CO -0.19 0.62 0.14 1.49 0.00 0.00 0.00 179.25 181.31 2kbx h GLU 117 N 1.27 0.29 -0.57 0.00 4.57 0.57 -1.86 114.58 118.85 2kbx h GLU 117 Ca 0.33 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.58 2kbx h GLU 117 Cb -0.07 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.38 2kbx h GLU 117 CO -0.06 0.19 0.21 0.22 -1.18 0.00 0.00 179.01 178.38 2kbx h ASP 118 N 0.30 0.20 0.46 1.04 1.82 -1.13 0.24 116.42 119.36 2kbx h ASP 118 Ca 0.20 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 2kbx h ASP 118 Cb 0.19 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2kbx h ASP 118 CO -0.21 0.13 -0.22 -0.07 -1.61 0.00 0.00 179.24 177.26 2kbx h LEU 119 N 0.39 -0.53 -0.83 2.28 4.07 -1.06 -0.80 115.31 118.83 2kbx h LEU 119 Ca 0.28 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 2kbx h LEU 119 Cb 0.33 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.17 2kbx h LEU 119 CO -0.28 -0.31 0.42 1.62 -1.08 0.00 0.00 178.44 178.81 2kbx h VAL 120 N -0.72 1.25 0.00 1.22 3.04 -1.21 0.28 116.25 120.12 2kbx h VAL 120 Ca -0.06 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2kbx h VAL 120 Cb 0.52 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2kbx h VAL 120 CO 0.10 0.30 0.00 0.00 -1.01 0.00 0.00 177.57 176.96 2kbx n ALA 121 N -2.40 2.09 0.15 3.17 0.00 0.84 -1.69 120.51 122.67 2kbx n ALA 121 Ca 0.08 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2kbx n ALA 121 Cb 0.12 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.38 2kbx n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kbx n ASN 122 N -0.98 2.02 -0.02 0.00 3.02 0.88 -4.97 115.26 115.21 2kbx n ASN 122 Ca 0.12 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 2kbx n ASN 122 Cb 0.05 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kbx n GLY 123 N 0.34 1.54 0.07 7.41 0.00 -0.68 -4.99 105.19 108.87 2kbx n GLY 123 Ca 0.06 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx n ALA 124 N -0.89 2.42 -2.18 4.61 0.00 -0.54 -4.98 120.51 118.95 2kbx n ALA 124 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2kbx n ALA 124 Cb 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2kbx n ALA 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2kbx n LEU 125 N -2.58 -5.17 0.19 0.00 7.94 -1.26 -4.73 117.00 111.39 2kbx n LEU 125 Ca -0.06 2.67 0.13 0.00 -1.11 0.00 0.00 56.01 57.64 2kbx n LEU 125 Cb 0.67 -2.90 0.35 0.00 0.53 0.00 0.00 43.42 42.06 2kbx n LEU 125 CO 0.43 -2.23 0.87 -0.37 -1.11 0.00 0.00 177.39 174.97 2kbx h VAL 126 N 4.24 0.00 -0.72 1.96 -1.51 -1.96 -3.19 116.25 115.08 2kbx h VAL 126 Ca 0.00 -0.71 -0.48 0.00 -1.23 0.00 0.00 66.70 64.28 2kbx h VAL 126 Cb 0.00 1.69 -0.20 0.00 -2.13 0.00 0.00 31.29 30.65 2kbx h VAL 126 CO 0.00 0.00 0.62 -0.24 -1.23 0.00 0.00 177.57 176.72 2kbx n SER 127 N -2.81 7.01 0.10 4.19 2.88 -1.26 -4.55 113.62 119.18 2kbx n SER 127 Ca 0.04 -3.38 -0.13 0.00 -1.33 0.00 0.00 58.87 54.07 2kbx n SER 127 Cb 0.44 -1.03 -0.08 0.00 -0.75 0.00 0.00 64.21 62.79 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2kbx h ILE 128 N 1.02 0.91 -0.91 2.46 2.04 -1.84 -3.49 117.51 117.71 2kbx h ILE 128 Ca 0.43 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2kbx h ILE 128 Cb 0.86 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2kbx h ILE 128 CO 1.12 0.14 0.00 0.00 0.00 0.00 0.00 178.15 179.41 2kbx n ASN 130 N -0.04 -1.81 -0.10 0.00 5.15 -1.26 -4.47 115.26 112.73 2kbx n ASN 130 Ca 0.00 -0.12 0.14 0.00 -0.60 0.00 0.00 54.58 54.00 2kbx n ASN 130 Cb 0.00 -0.16 0.52 0.00 -0.53 0.00 0.00 39.78 39.61 2kbx n ASN 130 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2kbx h LYS 131 N 0.00 0.36 0.00 1.20 -0.00 -1.91 -1.56 116.57 114.66 2kbx h LYS 131 Ca -0.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.56 2kbx h LYS 131 Cb 0.18 -0.08 -0.03 0.00 -0.00 0.00 0.00 32.23 32.30 2kbx h LYS 131 CO 0.03 0.24 -0.44 0.98 -0.00 0.00 0.00 179.45 180.26 2kbx n TYR 132 N -4.46 0.00 -1.16 0.07 9.36 -1.26 -4.91 117.16 114.79 2kbx n TYR 132 Ca 0.11 -1.26 -0.06 0.00 3.32 0.00 0.00 57.90 60.01 2kbx n TYR 132 Cb 0.45 -0.21 -0.02 0.00 -0.63 0.00 0.00 39.34 38.92 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 -1.02 0.76 3.56 2.98 0.00 -0.59 -4.88 105.19 106.00 2kbx n GLY 133 Ca 0.17 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 2kbx n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbx s GLU 134 N -2.02 1.98 0.31 1.61 2.02 -1.26 -4.46 118.70 116.89 2kbx s GLU 134 Ca 0.00 0.31 0.10 0.00 0.02 0.00 0.00 54.97 55.40 2kbx s GLU 134 Cb 0.00 -4.84 -0.05 0.00 0.10 0.00 0.00 34.13 29.34 2kbx s GLU 134 CO 0.00 -3.95 -0.06 -1.64 0.02 0.00 0.00 175.26 169.63 2kbx s MET 135 N 8.16 1.98 0.34 1.61 -1.94 -1.26 -4.09 119.30 124.10 2kbx s MET 135 Ca 0.85 -1.72 0.09 0.00 -1.71 0.00 0.00 55.69 53.19 2kbx s MET 135 Cb -0.11 -1.90 0.82 0.00 2.01 0.00 0.00 34.83 35.65 2kbx s MET 135 CO 0.07 0.22 1.83 -1.35 -0.01 0.00 0.00 175.02 175.78 2kbx h PRO 136 N 1.97 0.67 -0.51 2.03 0.11 -1.90 0.02 132.00 134.39 2kbx h PRO 136 Ca -0.42 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.74 2kbx h PRO 136 Cb 1.25 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2kbx h PRO 136 CO 0.65 0.45 0.08 0.28 -0.21 0.00 0.00 178.00 179.24 2kbx h VAL 137 N 0.69 0.69 0.03 3.15 2.07 -1.95 1.70 116.25 122.63 2kbx h VAL 137 Ca 0.51 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.85 2kbx h VAL 137 Cb 0.86 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2kbx h VAL 137 CO -0.27 0.04 -0.43 -2.24 0.02 0.00 0.00 177.57 174.69 2kbx h ASP 138 N 0.21 0.32 0.22 0.57 3.04 -1.58 0.60 116.42 119.80 2kbx h ASP 138 Ca 0.26 -0.84 0.00 0.00 -3.24 0.00 0.00 57.03 53.20 2kbx h ASP 138 Cb 0.36 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 2kbx h ASP 138 CO -0.35 1.13 0.00 1.17 -2.04 0.00 0.00 179.24 179.15 2kbx n LYS 139 N -4.36 0.13 0.01 4.15 4.81 -0.12 -0.48 118.16 122.30 2kbx n LYS 139 Ca -0.11 0.54 0.07 0.00 -0.87 0.00 0.00 58.31 57.95 2kbx n LYS 139 Cb 0.62 -1.86 -0.12 0.00 0.02 0.00 0.00 35.03 33.69 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 -1.73 2.47 0.71 3.14 0.00 0.58 -3.97 120.51 121.71 2kbx n ALA 140 Ca -0.00 -0.57 0.13 0.00 0.00 0.00 0.00 53.44 53.00 2kbx n ALA 140 Cb 0.09 -0.78 0.33 0.00 0.00 0.00 0.00 19.45 19.09 2kbx n ALA 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kbx n LYS 141 N -2.49 0.20 0.01 0.00 3.00 0.37 -2.70 118.16 116.56 2kbx n LYS 141 Ca -0.08 0.11 -0.02 0.00 -0.00 0.00 0.00 58.31 58.32 2kbx n LYS 141 Cb 0.67 -1.68 -0.01 0.00 0.00 0.00 0.00 35.03 34.02 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx h ALA 142 N 2.65 -0.15 -1.09 3.14 0.00 -1.40 -3.24 119.26 119.16 2kbx h ALA 142 Ca 0.00 -0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.19 2kbx h ALA 142 Cb 0.68 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2kbx h ALA 142 CO 0.00 -0.14 0.75 -1.35 0.00 0.00 0.00 179.25 178.52 2kbx h PRO 143 N -0.83 0.15 -0.20 0.00 0.10 -1.74 -3.44 132.00 126.04 2kbx h PRO 143 Ca -0.01 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 66.08 2kbx h PRO 143 Cb 0.10 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 31.16 2kbx h PRO 143 CO 0.02 0.10 0.00 -0.11 0.10 0.00 0.00 178.00 178.11 2kbx n LEU 144 N -4.38 -0.64 0.16 2.35 0.00 -1.22 -5.01 117.00 108.25 2kbx n LEU 144 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.15 2kbx n LEU 144 Cb 1.07 -0.22 -0.06 0.00 0.00 0.00 0.00 43.42 44.21 2kbx n LEU 144 CO 0.34 0.00 0.33 -0.09 0.00 0.00 0.00 177.39 177.97 2kbx h ARG 145 N 0.00 -0.45 0.00 1.96 9.65 -1.80 -3.45 114.38 120.29 2kbx h ARG 145 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2kbx h ARG 145 Cb 0.44 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2kbx h ARG 145 CO 0.00 -0.17 0.00 0.39 2.80 0.00 0.00 179.97 182.99 2kbx n GLU 146 N -5.10 0.00 0.15 0.20 -0.58 -1.25 -4.69 120.64 109.38 2kbx n GLU 146 Ca -0.08 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.60 2kbx n GLU 146 Cb 0.25 -3.32 -0.03 0.00 -0.57 0.00 0.00 31.44 27.77 2kbx n GLU 146 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2kbx h LEU 147 N 0.00 -0.36 -2.05 -4.62 6.46 -1.92 -2.67 115.31 110.15 2kbx h LEU 147 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2kbx h LEU 147 Cb 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2kbx h LEU 147 CO 0.00 -0.06 0.00 0.17 -0.62 0.00 0.00 178.44 177.93 2kbx h LEU 148 N -0.81 0.00 -0.41 2.25 -0.00 -1.97 -2.28 115.31 112.09 2kbx h LEU 148 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 2kbx h LEU 148 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 2kbx h LEU 148 CO 0.07 0.00 0.13 -0.09 -0.00 0.00 0.00 178.44 178.55 2kbx h ARG 149 N 0.00 0.64 -0.05 0.17 1.12 -1.89 -2.02 114.38 112.35 2kbx h ARG 149 Ca 0.00 -0.14 -0.18 0.00 -1.11 0.00 0.00 59.98 58.55 2kbx h ARG 149 Cb 0.25 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 2kbx h ARG 149 CO 0.00 0.64 -0.74 1.05 -3.11 0.00 0.00 179.97 177.81 2kbx h GLU 150 N 0.53 0.29 -0.03 0.20 4.11 -1.06 -2.34 114.58 116.28 2kbx h GLU 150 Ca 0.13 -0.25 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 2kbx h GLU 150 Cb 0.26 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kbx h GLU 150 CO -0.00 0.91 -0.25 0.00 0.07 0.00 0.00 179.01 179.73 2kbx h ARG 151 N 0.20 0.05 0.00 1.06 2.47 -1.26 -1.16 114.38 115.73 2kbx h ARG 151 Ca -0.03 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 2kbx h ARG 151 Cb 1.31 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.60 2kbx h ARG 151 CO 0.12 0.30 -1.25 0.00 0.56 0.00 0.00 179.97 179.70 2kbx h ALA 152 N 1.70 0.65 -0.01 0.04 0.00 -1.30 -3.26 119.26 117.09 2kbx h ALA 152 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2kbx h ALA 152 Cb 0.47 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kbx h ALA 152 CO 0.03 0.84 -0.17 -0.85 0.00 0.00 0.00 179.25 179.10 2kbx n GLU 153 N -2.94 1.09 -0.02 0.00 -0.00 -0.89 -3.96 120.64 113.92 2kbx n GLU 153 Ca -0.07 -0.63 0.02 0.00 -0.00 0.00 0.00 57.16 56.48 2kbx n GLU 153 Cb 0.81 -1.49 0.03 0.00 -0.00 0.00 0.00 31.44 30.79 2kbx n GLU 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2kbx n LYS 154 N -0.41 2.56 0.09 3.44 4.76 -0.47 -4.09 118.16 124.05 2kbx n LYS 154 Ca 0.14 -1.68 -0.19 0.00 -2.87 0.00 0.00 58.31 53.72 2kbx n LYS 154 Cb 0.35 -1.08 -0.11 0.00 -1.84 0.00 0.00 35.03 32.35 2kbx n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kbx h MET 155 N 0.00 0.50 0.00 1.97 -0.00 -1.68 -3.48 114.93 112.25 2kbx h MET 155 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 59.70 59.03 2kbx h MET 155 Cb 0.62 0.22 0.00 0.00 -0.00 0.00 0.00 31.60 32.43 2kbx h MET 155 CO 0.00 1.28 0.00 0.41 -0.00 0.00 0.00 176.91 178.60 2kbx n GLY 156 N 1.30 -0.23 0.95 -3.00 0.00 -1.26 -4.99 105.19 97.95 2kbx n GLY 156 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2kbx n GLY 156 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kbx n GLN 157 N 0.00 2.17 0.00 1.61 3.00 -1.26 -4.55 117.38 118.35 2kbx n GLN 157 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 2kbx n GLN 157 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.26 1.50 -3.83 1.08 5.03 -1.26 -4.84 115.26 114.19 2kbx n ASN 158 Ca 0.15 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.21 2kbx n ASN 158 Cb 0.54 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.22 2kbx n ASN 158 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2kbx n LEU 159 N -2.64 2.82 -4.47 3.41 7.99 -1.26 -4.83 117.00 118.02 2kbx n LEU 159 Ca 0.00 -2.52 -0.39 0.00 -0.01 0.00 0.00 56.01 53.09 2kbx n LEU 159 Cb 0.41 -1.10 -0.11 0.00 -0.11 0.00 0.00 43.42 42.51 2kbx n LEU 159 CO 0.00 -1.35 -0.18 0.54 -1.51 0.00 0.00 177.39 174.89 2kbx s ASN 160 N 6.11 5.72 0.78 -1.43 2.20 -1.26 -4.98 114.94 122.08 2kbx s ASN 160 Ca 0.65 -0.51 -0.15 0.00 -0.94 0.00 0.00 52.86 51.90 2kbx s ASN 160 Cb 0.10 -2.05 -0.03 0.00 -2.00 0.00 0.00 41.25 37.28 2kbx s ASN 160 CO 0.19 -0.22 0.42 -2.11 -2.94 0.00 0.00 177.10 172.45 2kbx n ARG 161 N 5.02 0.14 -1.56 3.55 1.85 -1.26 -4.71 116.66 119.69 2kbx n ARG 161 Ca -0.13 0.09 -0.44 0.00 -1.00 0.00 0.00 57.85 56.37 2kbx n ARG 161 Cb 0.49 -1.78 -0.04 0.00 -1.05 0.00 0.00 32.46 30.08 2kbx n ARG 161 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2kbx n ILE 162 N -2.65 0.27 -1.76 8.89 0.13 -1.26 -4.91 119.36 118.07 2kbx n ILE 162 Ca 0.09 -0.45 -0.37 0.00 -1.10 0.00 0.00 62.75 60.91 2kbx n ILE 162 Cb 0.51 -2.39 0.06 0.00 -0.84 0.00 0.00 39.64 36.98 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 2kbx s PRO 163 N 6.55 2.66 0.19 9.51 0.02 -1.26 -4.89 135.00 147.78 2kbx s PRO 163 Ca 1.03 2.09 -0.15 0.00 0.02 0.00 0.00 61.00 63.98 2kbx s PRO 163 Cb -0.43 -1.92 0.17 0.00 0.02 0.00 0.00 34.50 32.34 2kbx s PRO 163 CO 0.37 -1.52 1.64 0.10 -0.33 0.00 0.00 177.00 177.27 2kbx h TYR 164 N 0.71 -0.31 0.00 6.54 -0.00 -1.98 -3.40 116.97 118.53 2kbx h TYR 164 Ca -0.51 0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 2kbx h TYR 164 Cb 1.33 0.22 0.00 0.00 -0.00 0.00 0.00 36.73 38.28 2kbx h TYR 164 CO 0.42 -0.23 0.00 0.36 -0.00 0.00 0.00 178.16 178.71 2kbx n LYS 165 N -5.38 2.32 0.00 0.10 2.85 -1.26 -3.18 118.16 113.61 2kbx n LYS 165 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2kbx n LYS 165 Cb 0.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 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 0.00 0.00 0.00 -5.58 -0.08 -1.26 -3.45 116.55 106.18 2kbx n ASP 166 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2kbx n ASP 166 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2kbx n ASP 166 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2kbx n THR 167 N 0.00 0.00 -0.09 5.18 -1.04 -1.26 -4.86 114.28 112.20 2kbx n THR 167 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kbx n THR 167 Cb 0.00 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 68.70 2kbx n THR 167 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kbx n PHE 168 N -0.34 1.29 -0.21 -1.42 3.72 -1.19 -4.41 117.46 114.90 2kbx n PHE 168 Ca 0.00 -0.61 0.27 0.00 -0.05 0.00 0.00 57.45 57.06 2kbx n PHE 168 Cb 0.00 -0.41 0.42 0.00 -0.94 0.00 0.00 39.48 38.55 2kbx n PHE 168 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 2kbx n TRP 169 N 0.16 0.00 0.00 1.38 7.02 -1.26 -4.29 117.44 120.45 2kbx n TRP 169 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 2kbx n TRP 169 Cb 0.87 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 2kbx n TRP 169 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kbx n LYS 170 N -3.17 0.00 0.00 -0.99 4.76 -1.26 -5.04 118.16 112.45 2kbx n LYS 170 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2kbx n LYS 170 Cb 1.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.68 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44