#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx s ASP 2 N 0.00 2.46 0.08 7.83 2.15 -1.26 -4.43 116.67 123.50 2kbx s ASP 2 Ca 0.00 0.41 -0.28 0.00 0.43 0.00 0.00 52.55 53.11 2kbx s ASP 2 Cb 0.00 -0.53 -0.12 0.00 -0.30 0.00 0.00 42.92 41.96 2kbx s ASP 2 CO 0.00 -3.15 1.44 0.44 -0.17 0.00 0.00 175.17 173.73 2kbx h ASP 3 N -1.93 -1.23 -0.41 -0.34 5.19 -2.03 1.54 116.42 117.22 2kbx h ASP 3 Ca -0.45 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 2kbx h ASP 3 Cb 1.26 0.44 -0.02 0.00 0.18 0.00 0.00 39.33 41.19 2kbx h ASP 3 CO 0.38 -0.47 0.15 0.16 -3.12 0.00 0.00 179.24 176.34 2kbx h ILE 4 N -0.66 1.20 -0.26 0.35 3.07 -1.94 1.54 117.51 120.81 2kbx h ILE 4 Ca -0.02 -0.64 0.01 0.00 1.55 0.00 0.00 64.86 65.76 2kbx h ILE 4 Cb 0.64 0.86 -0.02 0.00 -0.27 0.00 0.00 36.82 38.03 2kbx h ILE 4 CO -0.18 0.23 0.16 -0.26 -1.05 0.00 0.00 178.15 177.05 2kbx h PHE 5 N 0.52 0.31 -0.24 0.16 0.04 -1.83 1.48 116.94 117.38 2kbx h PHE 5 Ca 0.14 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.78 2kbx h PHE 5 Cb 0.21 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 2kbx h PHE 5 CO 0.00 0.19 -0.39 1.15 -0.60 0.00 0.00 178.31 178.66 2kbx h THR 6 N 0.34 1.31 0.00 -1.55 2.02 0.24 -2.77 112.91 112.51 2kbx h THR 6 Ca 0.10 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2kbx h THR 6 Cb -0.02 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2kbx h THR 6 CO -0.03 0.50 0.00 1.67 0.37 0.00 0.00 175.52 178.03 2kbx n GLN 7 N -4.22 0.16 0.03 6.66 0.00 0.53 -2.59 117.38 117.95 2kbx n GLN 7 Ca -0.05 0.28 -0.19 0.00 -0.00 0.00 0.00 57.00 57.04 2kbx n GLN 7 Cb 0.53 -1.75 -0.14 0.00 0.00 0.00 0.00 30.24 28.88 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kbx n ARG 9 N -4.20 0.21 0.00 0.00 0.00 -1.09 -2.93 116.66 108.65 2kbx n ARG 9 Ca -0.14 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 2kbx n ARG 9 Cb 0.77 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.42 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 -2.19 0.00 -0.15 -0.14 2.13 -1.07 -4.60 120.64 114.62 2kbx n GLU 10 Ca 0.04 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2kbx n GLU 10 Cb 0.32 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.52 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 -1.09 0.89 2.24 8.31 0.00 -1.15 -4.95 105.19 109.45 2kbx n GLY 11 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 7.53 0.15 1.61 5.03 -1.19 -4.62 115.26 123.77 2kbx n ASN 12 Ca 0.00 -2.52 0.11 0.00 0.87 0.00 0.00 54.58 53.04 2kbx n ASN 12 Cb 0.00 -1.48 0.23 0.00 -1.02 0.00 0.00 39.78 37.51 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 4.51 2.27 0.08 5.41 0.00 -1.90 2.78 119.26 132.41 2kbx h ALA 13 Ca 0.66 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.31 2kbx h ALA 13 Cb 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kbx h ALA 13 CO 1.33 -1.18 -1.12 -0.24 0.00 0.00 0.00 179.25 178.04 2kbx h VAL 14 N 0.00 1.53 -0.10 0.00 3.04 -1.93 -2.85 116.25 115.93 2kbx h VAL 14 Ca 0.17 -3.01 -0.20 0.00 -1.01 0.00 0.00 66.70 62.64 2kbx h VAL 14 Cb 2.16 2.81 0.00 0.00 -2.01 0.00 0.00 31.29 34.26 2kbx h VAL 14 CO -0.00 0.88 -0.77 0.00 -1.01 0.00 0.00 177.57 176.67 2kbx h ALA 15 N 0.73 0.46 -0.35 3.17 0.00 0.46 -1.36 119.26 122.37 2kbx h ALA 15 Ca -0.09 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 2kbx h ALA 15 Cb 1.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2kbx h ALA 15 CO 0.18 0.73 -0.40 -0.24 0.00 0.00 0.00 179.25 179.52 2kbx h VAL 16 N 0.38 1.28 -0.57 0.00 3.04 -1.55 -2.72 116.25 116.11 2kbx h VAL 16 Ca -0.04 -1.57 -0.08 0.00 -1.01 0.00 0.00 66.70 64.00 2kbx h VAL 16 Cb 1.37 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 32.05 2kbx h VAL 16 CO 0.14 0.52 0.05 -0.09 -1.01 0.00 0.00 177.57 177.18 2kbx h ARG 17 N 0.69 0.95 -0.18 4.17 9.65 -1.46 -2.06 114.38 126.16 2kbx h ARG 17 Ca 0.06 -0.26 0.04 0.00 -1.10 0.00 0.00 59.98 58.72 2kbx h ARG 17 Cb 0.97 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.37 2kbx h ARG 17 CO 0.09 0.91 -0.46 1.25 2.80 0.00 0.00 179.97 184.57 2kbx h LEU 18 N 0.89 -1.45 -0.71 3.80 6.46 -0.92 -0.61 115.31 122.76 2kbx h LEU 18 Ca 0.17 0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 58.06 2kbx h LEU 18 Cb 0.45 0.59 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 2kbx h LEU 18 CO 0.02 -0.44 -0.32 4.11 -0.62 0.00 0.00 178.44 181.19 2kbx h TRP 19 N -0.49 0.00 -0.16 1.25 5.08 -1.49 -2.96 115.95 117.18 2kbx h TRP 19 Ca 0.07 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.02 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 -0.54 0.32 -0.02 1.25 -1.28 0.00 0.00 178.44 178.18 2kbx h LEU 20 N 0.00 0.20 -2.48 0.11 6.46 -0.45 -2.34 115.31 116.81 2kbx h LEU 20 Ca -0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2kbx h LEU 20 Cb 0.97 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 2kbx h LEU 20 CO 0.04 0.26 0.00 -0.90 -0.62 0.00 0.00 178.44 177.23 2kbx n ASP 21 N -4.39 3.84 -4.70 1.25 5.68 -0.37 -4.85 116.55 113.02 2kbx n ASP 21 Ca -0.01 -2.09 -0.42 0.00 -0.50 0.00 0.00 54.79 51.78 2kbx n ASP 21 Cb 0.18 -0.74 -0.03 0.00 -1.14 0.00 0.00 41.12 39.38 2kbx n ASP 21 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2kbx s ASN 22 N 1.46 7.22 -0.00 -1.12 0.02 -0.88 -4.90 114.94 116.74 2kbx s ASN 22 Ca 0.00 1.49 0.01 0.00 -1.02 0.00 0.00 52.86 53.34 2kbx s ASN 22 Cb 0.00 -2.53 0.03 0.00 0.02 0.00 0.00 41.25 38.76 2kbx s ASN 22 CO 0.00 -0.35 1.00 0.35 0.02 0.00 0.00 177.10 178.13 2kbx n THR 23 N 4.28 0.04 -0.03 1.60 -2.24 -1.26 -3.31 114.28 113.36 2kbx n THR 23 Ca 0.06 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2kbx n THR 23 Cb 0.50 -0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.39 0.67 -3.34 -0.78 4.71 -1.26 -5.02 120.64 115.23 2kbx n GLU 24 Ca 0.01 0.24 -0.15 0.00 -0.01 0.00 0.00 57.16 57.25 2kbx n GLU 24 Cb 0.04 -1.71 0.01 0.00 -1.01 0.00 0.00 31.44 28.76 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2kbx n ASN 25 N -3.13 -6.51 0.00 1.62 5.03 -1.21 -4.83 115.26 106.23 2kbx n ASN 25 Ca -0.25 -0.31 0.00 0.00 0.87 0.00 0.00 54.58 54.89 2kbx n ASN 25 Cb 1.06 -3.60 0.00 0.00 -1.02 0.00 0.00 39.78 36.22 2kbx n ASN 25 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kbx n ASP 26 N -1.68 0.00 0.12 6.41 5.75 -1.26 -4.86 116.55 121.03 2kbx n ASP 26 Ca -0.11 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.74 2kbx n ASP 26 Cb 0.59 0.28 0.02 0.00 -1.03 0.00 0.00 41.12 40.98 2kbx n ASP 26 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2kbx h LEU 27 N 0.00 0.00 -1.63 -2.12 8.10 -1.99 -3.25 115.31 114.41 2kbx h LEU 27 Ca 0.00 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.15 2kbx h LEU 27 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2kbx h LEU 27 CO 0.00 0.26 0.68 -1.13 -4.11 0.00 0.00 178.44 174.15 2kbx h ASN 28 N 0.00 0.00 -0.29 0.17 -1.24 -1.89 -3.41 115.58 108.92 2kbx h ASN 28 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2kbx h ASN 28 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2kbx h ASN 28 CO 0.03 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 2kbx n GLN 29 N -3.44 0.64 0.00 6.67 6.02 -1.23 -4.74 117.38 121.29 2kbx n GLN 29 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2kbx n GLN 29 Cb 0.88 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.14 2kbx n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbx n GLY 30 N 0.00 1.03 3.41 1.08 0.00 -1.09 -4.50 105.19 105.11 2kbx n GLY 30 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2kbx n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbx s ASP 31 N -1.00 2.20 0.37 1.61 1.01 0.86 -4.92 116.67 116.80 2kbx s ASP 31 Ca 0.00 -1.68 0.26 0.00 0.71 0.00 0.00 52.55 51.84 2kbx s ASP 31 Cb 0.00 0.51 0.74 0.00 1.01 0.00 0.00 42.92 45.18 2kbx s ASP 31 CO 0.00 -0.97 1.74 -2.24 0.21 0.00 0.00 175.17 173.91 2kbx h ASP 32 N 1.98 0.00 0.00 0.27 3.04 -1.99 -2.70 116.42 117.02 2kbx h ASP 32 Ca -0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 2kbx h ASP 32 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 2kbx h ASP 32 CO 0.49 0.00 0.00 1.41 -2.04 0.00 0.00 179.24 179.10 2kbx n HIS 33 N -2.75 0.00 -0.09 4.15 -0.00 -1.26 -4.74 115.22 110.53 2kbx n HIS 33 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2kbx n HIS 33 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kbx n GLY 34 N 0.09 0.82 3.72 -1.41 0.00 -1.02 -4.05 105.19 103.34 2kbx n GLY 34 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2kbx n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kbx n PHE 35 N -2.00 2.64 -3.28 1.61 3.72 -1.23 -4.78 117.46 114.13 2kbx n PHE 35 Ca 0.00 0.26 -0.19 0.00 -0.05 0.00 0.00 57.45 57.47 2kbx n PHE 35 Cb 0.00 -2.58 -0.01 0.00 -0.94 0.00 0.00 39.48 35.96 2kbx n PHE 35 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2kbx s SER 36 N 0.59 5.49 0.07 4.37 0.01 -1.26 -0.10 113.70 122.87 2kbx s SER 36 Ca 0.68 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 57.19 2kbx s SER 36 Cb -0.55 -0.72 -0.17 0.00 0.21 0.00 0.00 66.02 64.80 2kbx s SER 36 CO 0.45 -0.66 1.61 1.55 0.41 0.00 0.00 173.24 176.61 2kbx h PRO 37 N 0.83 -0.20 -0.71 12.44 0.13 -1.85 -2.60 132.00 140.04 2kbx h PRO 37 Ca -0.41 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.83 2kbx h PRO 37 Cb 1.27 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 2kbx h PRO 37 CO 0.50 -0.05 0.34 1.25 -0.23 0.00 0.00 178.00 179.81 2kbx h LEU 38 N -0.30 0.42 -0.01 1.56 7.12 -1.97 0.13 115.31 122.27 2kbx h LEU 38 Ca -0.02 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2kbx h LEU 38 Cb 0.23 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 2kbx h LEU 38 CO 0.03 0.23 -0.05 0.45 -0.13 0.00 0.00 178.44 178.98 2kbx h HIS 39 N 0.57 -0.15 -0.20 1.25 3.86 -1.86 1.39 115.15 120.00 2kbx h HIS 39 Ca 0.35 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.60 2kbx h HIS 39 Cb 0.40 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2kbx h HIS 39 CO -0.12 -0.05 0.04 -1.49 0.86 0.00 0.00 177.93 177.17 2kbx h TRP 40 N -0.06 0.06 -0.83 2.45 4.06 -1.24 -2.16 115.95 118.23 2kbx h TRP 40 Ca 0.00 0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.04 2kbx h TRP 40 Cb 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.16 2kbx h TRP 40 CO -0.45 0.02 0.50 0.00 -3.56 0.00 0.00 178.44 174.94 2kbx h ALA 41 N 1.15 1.15 -0.90 1.49 0.00 -0.40 -1.03 119.26 120.72 2kbx h ALA 41 Ca 0.09 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2kbx h ALA 41 Cb 0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2kbx h ALA 41 CO -0.12 0.20 0.54 0.00 0.00 0.00 0.00 179.25 179.87 2kbx h ARG 43 N 0.91 0.00 0.36 0.00 2.43 -0.96 -3.34 114.38 113.79 2kbx h ARG 43 Ca 0.43 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2kbx h ARG 43 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2kbx h ARG 43 CO -0.24 0.17 -0.17 0.93 -1.51 0.00 0.00 179.97 179.15 2kbx h GLU 44 N 0.00 -0.46 0.00 0.20 3.07 0.02 -3.48 114.58 113.92 2kbx h GLU 44 Ca -0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2kbx h GLU 44 Cb 0.99 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2kbx h GLU 44 CO 0.02 -0.31 0.00 0.41 -1.40 0.00 0.00 179.01 177.73 2kbx n GLY 45 N 0.27 0.41 2.53 -3.84 0.00 -0.93 -5.01 105.19 98.62 2kbx n GLY 45 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 1.21 -0.45 1.61 1.74 -1.26 -4.63 116.66 114.88 2kbx n ARG 46 Ca 0.00 -0.85 0.35 0.00 -0.77 0.00 0.00 57.85 56.59 2kbx n ARG 46 Cb 0.00 -2.05 0.57 0.00 -1.02 0.00 0.00 32.46 29.95 2kbx n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbx n SER 47 N 3.70 0.07 0.00 0.55 2.88 -1.26 -2.13 113.62 117.44 2kbx n SER 47 Ca 0.26 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2kbx n SER 47 Cb 0.22 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbx n ALA 48 N -2.62 0.00 -0.52 -1.46 0.00 -1.26 -1.77 120.51 112.88 2kbx n ALA 48 Ca 0.32 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.20 2kbx n ALA 48 Cb 1.36 0.00 0.72 0.00 0.00 0.00 0.00 19.45 21.53 2kbx n ALA 48 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kbx h VAL 49 N 0.00 0.06 0.28 0.00 -1.51 -1.85 0.14 116.25 113.37 2kbx h VAL 49 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2kbx h VAL 49 Cb 0.00 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.23 2kbx h VAL 49 CO 0.00 0.00 -0.13 1.62 -1.23 0.00 0.00 177.57 177.83 2kbx h VAL 50 N 0.00 0.71 -0.83 7.19 3.04 -1.40 -0.62 116.25 124.34 2kbx h VAL 50 Ca 0.76 -0.71 0.19 0.00 -1.01 0.00 0.00 66.70 65.93 2kbx h VAL 50 Cb 3.32 1.06 -0.12 0.00 -2.01 0.00 0.00 31.29 33.55 2kbx h VAL 50 CO -0.01 0.13 0.31 -0.08 -1.01 0.00 0.00 177.57 176.92 2kbx h GLU 51 N -0.79 0.36 -0.26 4.17 4.81 0.12 -0.26 114.58 122.72 2kbx h GLU 51 Ca -0.04 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2kbx h GLU 51 Cb 0.51 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2kbx h GLU 51 CO 0.06 0.24 -0.44 0.52 -0.73 0.00 0.00 179.01 178.66 2kbx h MET 52 N 0.37 0.75 -0.66 1.92 0.00 -1.45 -3.15 114.93 112.71 2kbx h MET 52 Ca 0.50 -0.47 0.10 0.00 0.00 0.00 0.00 59.70 59.83 2kbx h MET 52 Cb 0.90 0.05 -0.08 0.00 0.00 0.00 0.00 31.60 32.47 2kbx h MET 52 CO -0.51 1.09 0.27 1.25 0.00 0.00 0.00 176.91 179.01 2kbx h LEU 53 N 0.49 0.29 -1.67 1.22 7.12 0.57 0.14 115.31 123.48 2kbx h LEU 53 Ca 0.02 0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.19 2kbx h LEU 53 Cb 1.04 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.18 2kbx h LEU 53 CO 0.10 0.16 0.36 0.40 -0.13 0.00 0.00 178.44 179.33 2kbx h ILE 54 N 0.46 0.92 0.00 4.05 2.04 -1.29 -0.71 117.51 122.99 2kbx h ILE 54 Ca 0.34 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.87 2kbx h ILE 54 Cb 0.42 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2kbx h ILE 54 CO -0.31 0.07 -0.98 0.24 0.00 0.00 0.00 178.15 177.17 2kbx h MET 55 N 0.39 0.00 -0.61 2.37 2.86 -0.84 -3.19 114.93 115.91 2kbx h MET 55 Ca 0.24 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.02 2kbx h MET 55 Cb 0.45 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2kbx h MET 55 CO -0.06 0.78 0.42 0.00 1.06 0.00 0.00 176.91 179.11 2kbx h ARG 56 N 0.00 0.22 0.00 1.72 3.08 0.61 -3.44 114.38 116.58 2kbx h ARG 56 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kbx h ARG 56 Cb 1.69 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.69 2kbx h ARG 56 CO 0.10 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.56 2kbx n GLY 57 N -1.57 0.23 3.73 0.04 0.00 -1.17 -5.11 105.19 101.33 2kbx n GLY 57 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 3.52 0.20 4.61 0.00 -1.20 -5.01 121.76 123.88 2kbx s ALA 58 Ca 0.00 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 2kbx s ALA 58 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 2kbx s ALA 58 CO 0.00 -0.53 0.45 1.03 0.00 0.00 0.00 175.76 176.71 2kbx s ARG 59 N 0.41 3.64 0.00 0.00 3.00 -1.26 -4.55 118.95 120.18 2kbx s ARG 59 Ca 0.59 -0.05 0.24 0.00 0.00 0.00 0.00 55.73 56.51 2kbx s ARG 59 Cb -0.35 -2.77 1.15 0.00 0.00 0.00 0.00 34.95 32.98 2kbx s ARG 59 CO 0.34 0.37 1.78 -0.89 0.00 0.00 0.00 175.30 176.91 2kbx n ILE 60 N -0.31 0.28 -1.24 1.52 -0.00 -1.26 -3.68 119.36 114.66 2kbx n ILE 60 Ca -0.02 0.07 -0.21 0.00 -0.00 0.00 0.00 62.75 62.59 2kbx n ILE 60 Cb 0.53 -0.67 -0.06 0.00 -0.00 0.00 0.00 39.64 39.43 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 -1.34 6.17 -4.51 4.38 3.02 -1.26 -4.61 115.26 117.10 2kbx n ASN 61 Ca 0.10 -3.00 -0.33 0.00 -0.03 0.00 0.00 54.58 51.32 2kbx n ASN 61 Cb 0.21 -1.24 -0.12 0.00 -0.61 0.00 0.00 39.78 38.02 2kbx n ASN 61 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2kbx s VAL 62 N -1.50 3.38 0.04 2.41 -7.23 -1.24 -5.12 120.40 111.14 2kbx s VAL 62 Ca 0.53 -0.59 0.09 0.00 -1.81 0.00 0.00 61.98 60.20 2kbx s VAL 62 Cb 0.33 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2kbx s VAL 62 CO -0.13 0.58 -0.25 -0.04 -0.31 0.00 0.00 175.10 174.96 2kbx s MET 63 N -0.61 1.69 0.46 4.82 1.00 -1.26 -4.08 119.30 121.32 2kbx s MET 63 Ca 0.09 -1.04 -0.13 0.00 0.00 0.00 0.00 55.69 54.61 2kbx s MET 63 Cb -0.11 -1.84 -0.07 0.00 0.00 0.00 0.00 34.83 32.81 2kbx s MET 63 CO 0.01 0.48 0.87 -0.80 0.00 0.00 0.00 175.02 175.58 2kbx s ASN 64 N -1.17 6.54 0.59 3.03 0.02 -1.02 -4.88 114.94 118.06 2kbx s ASN 64 Ca 0.10 1.32 0.18 0.00 -1.02 0.00 0.00 52.86 53.44 2kbx s ASN 64 Cb -0.10 -2.40 0.96 0.00 0.02 0.00 0.00 41.25 39.73 2kbx s ASN 64 CO 0.02 -0.50 1.51 0.08 0.02 0.00 0.00 177.10 178.23 2kbx h ARG 65 N 1.02 0.00 -1.43 -0.60 0.11 -1.87 -0.11 114.38 111.50 2kbx h ARG 65 Ca -0.47 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 58.95 2kbx h ARG 65 Cb 1.19 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.93 2kbx h ARG 65 CO 0.63 0.00 0.25 0.41 0.10 0.00 0.00 179.97 181.36 2kbx n GLY 66 N -1.31 5.88 3.47 0.08 0.00 -1.26 -4.97 105.19 107.08 2kbx n GLY 66 Ca -0.01 -2.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.12 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 -0.64 -5.63 -3.18 1.61 5.75 -0.05 -4.98 116.55 109.43 2kbx n ASP 67 Ca 0.51 -0.08 0.02 0.00 -0.01 0.00 0.00 54.79 55.22 2kbx n ASP 67 Cb 0.56 -1.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.05 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 -1.38 -1.22 0.43 -1.12 -1.08 -1.26 -4.90 116.67 106.14 2kbx s ASP 68 Ca 0.33 0.46 -0.10 0.00 -0.52 0.00 0.00 52.55 52.72 2kbx s ASP 68 Cb -0.03 1.95 -0.06 0.00 -1.46 0.00 0.00 42.92 43.32 2kbx s ASP 68 CO 0.75 -0.29 0.79 0.42 0.52 0.00 0.00 175.17 177.36 2kbx s THR 69 N 2.80 4.80 0.36 1.71 -4.23 -1.26 -2.42 115.64 117.40 2kbx s THR 69 Ca 0.15 0.57 0.10 0.00 -1.18 0.00 0.00 61.69 61.33 2kbx s THR 69 Cb -0.13 -3.76 0.33 0.00 1.34 0.00 0.00 72.50 70.28 2kbx s THR 69 CO -0.23 -0.61 1.87 1.55 -0.54 0.00 0.00 174.62 176.66 2kbx h PRO 70 N 1.00 0.63 -0.17 3.99 0.13 -1.82 -1.50 132.00 134.26 2kbx h PRO 70 Ca -0.47 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2kbx h PRO 70 Cb 1.19 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 2kbx h PRO 70 CO 0.63 0.42 -0.36 -0.07 -0.23 0.00 0.00 178.00 178.39 2kbx h LEU 71 N 0.65 -1.14 0.09 1.56 4.07 -1.92 1.82 115.31 120.44 2kbx h LEU 71 Ca 0.44 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.56 2kbx h LEU 71 Cb 0.75 0.48 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2kbx h LEU 71 CO -0.20 -0.38 -0.11 0.45 -1.08 0.00 0.00 178.44 177.12 2kbx h HIS 72 N -0.41 -0.31 -0.80 1.13 3.86 -1.67 1.31 115.15 118.26 2kbx h HIS 72 Ca 0.10 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.44 2kbx h HIS 72 Cb 0.58 0.12 -0.14 0.00 1.06 0.00 0.00 27.41 29.03 2kbx h HIS 72 CO -0.46 -0.14 -0.38 -0.07 0.86 0.00 0.00 177.93 177.73 2kbx h LEU 73 N -0.20 -1.38 0.81 2.43 3.38 -1.03 1.98 115.31 121.31 2kbx h LEU 73 Ca -0.01 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2kbx h LEU 73 Cb 0.18 0.69 0.01 0.00 0.09 0.00 0.00 40.66 41.63 2kbx h LEU 73 CO -0.02 -0.30 -0.39 0.00 0.09 0.00 0.00 178.44 177.82 2kbx h ALA 74 N 1.11 -1.09 -0.07 1.53 0.00 0.31 -1.93 119.26 119.12 2kbx h ALA 74 Ca 0.28 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kbx h ALA 74 Cb 0.57 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kbx h ALA 74 CO -0.84 -1.11 0.10 0.00 0.00 0.00 0.00 179.25 177.39 2kbx h ALA 75 N -0.90 1.57 0.27 0.00 0.00 0.30 -2.25 119.26 118.26 2kbx h ALA 75 Ca -0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kbx h ALA 75 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kbx h ALA 75 CO 0.18 -0.13 -0.13 0.77 0.00 0.00 0.00 179.25 179.94 2kbx h SER 76 N 0.00 -0.30 0.78 0.00 0.02 0.39 -3.22 113.55 111.23 2kbx h SER 76 Ca 0.03 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2kbx h SER 76 Cb 0.22 0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.85 2kbx h SER 76 CO -0.00 -0.16 -0.38 0.45 -1.14 0.00 0.00 176.83 175.60 2kbx h HIS 77 N -0.43 -0.98 0.00 3.45 3.86 -1.21 -3.47 115.15 116.38 2kbx h HIS 77 Ca -0.04 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2kbx h HIS 77 Cb 0.32 0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2kbx h HIS 77 CO -0.04 -0.60 0.00 0.41 0.86 0.00 0.00 177.93 178.56 2kbx n GLY 78 N -1.04 1.04 3.57 2.45 0.00 -1.00 -5.05 105.19 105.16 2kbx n GLY 78 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 2.62 0.19 1.61 4.02 -1.25 -4.83 115.29 115.64 2kbx s HIS 79 Ca 0.00 -1.12 -0.22 0.00 1.02 0.00 0.00 55.06 54.73 2kbx s HIS 79 Cb 0.00 -4.71 0.11 0.00 -1.02 0.00 0.00 32.58 26.95 2kbx s HIS 79 CO 0.00 -1.88 1.57 0.00 1.02 0.00 0.00 174.74 175.45 2kbx h ARG 80 N 8.95 -0.14 -0.15 1.40 3.08 -1.96 0.34 114.38 125.90 2kbx h ARG 80 Ca 0.30 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.40 2kbx h ARG 80 Cb 0.96 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 2kbx h ARG 80 CO 1.44 -0.10 -0.21 -0.44 -1.07 0.00 0.00 179.97 179.60 2kbx h ASP 81 N -0.15 -0.64 -0.45 7.04 5.19 -2.00 0.38 116.42 125.79 2kbx h ASP 81 Ca 0.23 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2kbx h ASP 81 Cb 0.56 0.30 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 2kbx h ASP 81 CO -0.75 -0.25 0.30 0.40 -3.12 0.00 0.00 179.24 175.81 2kbx h ILE 82 N -0.25 1.12 -0.35 0.35 2.04 -1.57 -1.02 117.51 117.83 2kbx h ILE 82 Ca 0.11 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.85 2kbx h ILE 82 Cb 0.41 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2kbx h ILE 82 CO -0.30 0.11 0.28 0.58 0.00 0.00 0.00 178.15 178.83 2kbx h VAL 83 N 0.61 0.66 0.14 1.67 2.07 0.60 -1.24 116.25 120.76 2kbx h VAL 83 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2kbx h VAL 83 Cb -0.07 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2kbx h VAL 83 CO -0.04 0.00 -0.07 1.56 0.02 0.00 0.00 177.57 179.05 2kbx h GLN 84 N 0.00 -0.18 0.00 1.57 1.08 0.39 -0.82 115.11 117.15 2kbx h GLN 84 Ca 0.16 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2kbx h GLN 84 Cb 0.73 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2kbx h GLN 84 CO -0.00 0.18 0.00 1.57 -0.95 0.00 0.00 178.83 179.63 2kbx h LYS 85 N -0.97 0.00 0.00 1.46 2.10 -1.23 -0.68 116.57 117.25 2kbx h LYS 85 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kbx h LYS 85 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2kbx h LYS 85 CO 0.03 0.00 -1.15 -0.11 -2.00 0.00 0.00 179.45 176.22 2kbx n LEU 86 N -2.88 0.69 0.18 7.07 0.00 -0.49 -2.69 117.00 118.88 2kbx n LEU 86 Ca -0.01 0.25 0.10 0.00 0.00 0.00 0.00 56.01 56.34 2kbx n LEU 86 Cb 0.17 -0.06 0.10 0.00 0.00 0.00 0.00 43.42 43.63 2kbx n LEU 86 CO 0.21 -0.14 0.57 0.25 0.00 0.00 0.00 177.39 178.28 2kbx h LEU 87 N 0.00 0.00 0.00 -1.96 5.85 0.39 -2.52 115.31 117.07 2kbx h LEU 87 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2kbx h LEU 87 Cb 0.97 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2kbx h LEU 87 CO 0.00 0.12 -2.13 0.00 -0.34 0.00 0.00 178.44 176.09 2kbx n GLN 88 N -3.05 0.73 0.17 1.25 0.00 -0.98 -3.31 117.38 112.20 2kbx n GLN 88 Ca 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 57.00 56.85 2kbx n GLN 88 Cb 0.59 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 2kbx n GLN 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 2kbx h TYR 89 N 0.00 -0.44 0.00 2.61 -1.99 -1.60 -3.42 116.97 112.13 2kbx h TYR 89 Ca -0.25 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.42 2kbx h TYR 89 Cb 1.55 0.15 -0.01 0.00 2.00 0.00 0.00 36.73 40.42 2kbx h TYR 89 CO 0.00 -0.27 -1.22 1.63 -0.00 0.00 0.00 178.16 178.29 2kbx n LYS 90 N -4.38 2.25 -3.98 4.88 4.01 -1.20 -5.01 118.16 114.74 2kbx n LYS 90 Ca -0.06 -0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.43 2kbx n LYS 90 Cb 0.19 -1.09 0.01 0.00 -0.51 0.00 0.00 35.03 33.62 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 -1.96 -1.47 0.63 7.82 0.00 -0.95 -4.77 120.51 119.80 2kbx n ALA 91 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2kbx n ALA 91 Cb 0.44 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2kbx n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kbx n ASP 92 N -2.84 3.54 0.17 0.00 8.00 -1.26 -3.86 116.55 120.30 2kbx n ASP 92 Ca -0.04 -2.13 0.03 0.00 0.71 0.00 0.00 54.79 53.37 2kbx n ASP 92 Cb 0.56 -0.64 0.26 0.00 -0.02 0.00 0.00 41.12 41.28 2kbx n ASP 92 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2kbx h ILE 93 N 0.24 1.04 -0.49 0.53 -0.00 -1.93 -2.10 117.51 114.79 2kbx h ILE 93 Ca 0.01 -1.77 -0.26 0.00 -0.00 0.00 0.00 64.86 62.85 2kbx h ILE 93 Cb 1.03 2.04 -0.15 0.00 -0.00 0.00 0.00 36.82 39.74 2kbx h ILE 93 CO 0.03 0.45 0.33 -0.46 -0.00 0.00 0.00 178.15 178.50 2kbx n ASN 94 N -3.57 3.56 -3.51 2.19 0.23 -1.25 -4.56 115.26 108.35 2kbx n ASN 94 Ca -0.00 -2.80 -0.29 0.00 -0.53 0.00 0.00 54.58 50.95 2kbx n ASN 94 Cb 0.56 -0.69 -0.13 0.00 -2.08 0.00 0.00 39.78 37.45 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbx s ALA 95 N -1.63 1.06 1.16 -2.53 0.00 -0.79 -5.13 121.76 113.89 2kbx s ALA 95 Ca 0.28 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.20 2kbx s ALA 95 Cb 0.24 -1.61 0.28 0.00 0.00 0.00 0.00 23.12 22.02 2kbx s ALA 95 CO 0.05 -2.04 1.19 0.14 0.00 0.00 0.00 175.76 175.10 2kbx s VAL 96 N 1.12 1.68 -0.23 0.00 -7.23 -1.26 -5.00 120.40 109.48 2kbx s VAL 96 Ca 0.17 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.16 2kbx s VAL 96 Cb -0.22 -2.66 -0.14 0.00 0.56 0.00 0.00 36.38 33.92 2kbx s VAL 96 CO -0.04 0.00 -0.06 0.59 -0.31 0.00 0.00 175.10 175.27 2kbx n ASN 97 N -4.53 1.90 0.00 4.85 5.03 -1.26 -4.98 115.26 116.26 2kbx n ASN 97 Ca 0.15 0.40 0.00 0.00 0.87 0.00 0.00 54.58 56.01 2kbx n ASN 97 Cb 0.60 -0.89 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2kbx n GLU 98 N -4.38 0.00 0.10 3.52 0.28 -1.26 -4.92 120.64 113.97 2kbx n GLU 98 Ca -0.37 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 56.75 2kbx n GLU 98 Cb 0.71 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.72 2kbx n GLU 98 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kbx h HIS 99 N 0.00 0.00 0.00 -1.84 3.86 -1.97 -3.47 115.15 111.73 2kbx h HIS 99 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kbx h HIS 99 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2kbx h HIS 99 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2kbx n GLY 100 N 1.26 0.42 3.48 2.45 0.00 -1.26 -4.86 105.19 106.68 2kbx n GLY 100 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.55 2kbx n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kbx n ASN 101 N 0.00 2.38 -4.88 1.61 6.94 -1.26 -4.89 115.26 115.15 2kbx n ASN 101 Ca 0.00 0.40 -0.32 0.00 -0.02 0.00 0.00 54.58 54.63 2kbx n ASN 101 Cb 0.00 -1.32 -0.05 0.00 -2.36 0.00 0.00 39.78 36.05 2kbx n ASN 101 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2kbx s VAL 102 N 7.37 4.98 0.29 3.53 1.01 -1.26 -4.46 120.40 131.86 2kbx s VAL 102 Ca 1.07 0.42 0.03 0.00 0.00 0.00 0.00 61.98 63.51 2kbx s VAL 102 Cb -0.76 -3.63 0.29 0.00 0.00 0.00 0.00 36.38 32.28 2kbx s VAL 102 CO 0.47 0.00 1.81 -0.65 0.00 0.00 0.00 175.10 176.73 2kbx h PRO 103 N 2.77 0.86 -0.93 2.72 0.10 -1.91 -0.08 132.00 135.52 2kbx h PRO 103 Ca -0.47 -0.05 0.05 0.00 0.10 0.00 0.00 66.00 65.63 2kbx h PRO 103 Cb 1.17 -0.19 -0.06 0.00 0.10 0.00 0.00 31.00 32.02 2kbx h PRO 103 CO 0.69 0.57 0.61 1.25 0.10 0.00 0.00 178.00 181.22 2kbx h LEU 104 N 0.88 0.98 -0.93 2.35 5.85 -1.93 -1.00 115.31 121.51 2kbx h LEU 104 Ca 0.53 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.29 2kbx h LEU 104 Cb 0.66 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2kbx h LEU 104 CO -0.32 0.65 0.60 0.45 -0.34 0.00 0.00 178.44 179.48 2kbx h HIS 105 N 1.12 1.12 -0.37 1.25 3.86 -1.39 -1.26 115.15 119.47 2kbx h HIS 105 Ca 0.39 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.52 2kbx h HIS 105 Cb 0.11 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2kbx h HIS 105 CO -0.00 0.64 -0.21 1.88 0.86 0.00 0.00 177.93 181.10 2kbx h TYR 106 N 1.16 0.82 -0.62 2.45 0.05 -1.09 -2.36 116.97 117.37 2kbx h TYR 106 Ca 0.37 -0.18 0.05 0.00 0.05 0.00 0.00 58.73 59.02 2kbx h TYR 106 Cb 0.02 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 2kbx h TYR 106 CO -0.01 0.87 0.41 0.00 -1.05 0.00 0.00 178.16 178.38 2kbx h ALA 107 N 1.13 1.72 -0.01 3.88 0.00 -0.25 -1.02 119.26 124.70 2kbx h ALA 107 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2kbx h ALA 107 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kbx h ALA 107 CO 0.05 0.20 -0.83 0.00 0.00 0.00 0.00 179.25 178.67 2kbx h PHE 109 N 0.15 0.61 0.00 0.00 3.57 -0.69 -3.04 116.94 117.53 2kbx h PHE 109 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2kbx h PHE 109 Cb 1.43 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 2kbx h PHE 109 CO 0.03 0.33 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.86 2kbx h TRP 110 N 0.61 0.00 0.00 0.41 4.06 -1.39 -3.50 115.95 116.15 2kbx h TRP 110 Ca 0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.21 2kbx h TRP 110 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2kbx h TRP 110 CO -0.00 0.11 0.00 0.41 -3.56 0.00 0.00 178.44 175.40 2kbx n GLY 111 N 1.74 0.88 2.73 1.49 0.00 -0.83 -5.12 105.19 106.08 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 -0.86 0.00 0.00 0.00 173.32 172.46 2kbx s GLN 112 N 0.00 0.81 0.45 1.61 -2.07 -1.19 -4.99 119.66 114.28 2kbx s GLN 112 Ca 0.00 -1.24 0.12 0.00 -1.82 0.00 0.00 55.36 52.42 2kbx s GLN 112 Cb 0.00 -2.05 1.02 0.00 -1.09 0.00 0.00 33.01 30.89 2kbx s GLN 112 CO 0.00 -1.02 2.06 -0.44 -1.32 0.00 0.00 175.29 174.58 2kbx h ASP 113 N 7.85 0.19 -0.24 12.60 3.32 -1.99 -3.10 116.42 135.06 2kbx h ASP 113 Ca -0.11 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.96 2kbx h ASP 113 Cb 1.00 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 2kbx h ASP 113 CO 0.47 0.20 -0.49 1.56 -1.72 0.00 0.00 179.24 179.25 2kbx h GLN 114 N 0.22 -0.43 -0.97 3.56 4.20 -1.98 0.20 115.11 119.91 2kbx h GLN 114 Ca 0.06 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2kbx h GLN 114 Cb 0.08 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 2kbx h GLN 114 CO -0.00 -0.28 0.64 -0.39 -0.67 0.00 0.00 178.83 178.12 2kbx h VAL 115 N -0.44 1.21 -0.70 -0.54 -1.51 -1.93 -0.65 116.25 111.68 2kbx h VAL 115 Ca 0.05 -0.43 0.15 0.00 -1.23 0.00 0.00 66.70 65.23 2kbx h VAL 115 Cb 0.57 -0.17 -0.04 0.00 -2.13 0.00 0.00 31.29 29.52 2kbx h VAL 115 CO -0.46 0.23 0.47 0.00 -1.23 0.00 0.00 177.57 176.59 2kbx h ALA 116 N 1.38 2.24 -0.04 5.19 0.00 -1.15 -0.61 119.26 126.27 2kbx h ALA 116 Ca 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2kbx h ALA 116 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kbx h ALA 116 CO -0.10 -0.43 -0.18 1.49 0.00 0.00 0.00 179.25 180.03 2kbx h GLU 117 N 0.29 0.19 -0.96 0.00 4.81 0.52 -2.89 114.58 116.54 2kbx h GLU 117 Ca 0.34 -0.15 0.28 0.00 -0.13 0.00 0.00 59.36 59.69 2kbx h GLU 117 Cb 0.91 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.15 2kbx h GLU 117 CO -0.08 0.81 0.13 -0.44 -0.73 0.00 0.00 179.01 178.70 2kbx h ASP 118 N -0.39 -0.29 0.02 1.04 5.19 -0.50 1.05 116.42 122.55 2kbx h ASP 118 Ca -0.01 0.26 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 2kbx h ASP 118 Cb 0.85 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2kbx h ASP 118 CO 0.04 -0.32 -0.16 -0.07 -3.12 0.00 0.00 179.24 175.61 2kbx h LEU 119 N 0.05 0.10 -2.08 1.55 -0.00 -1.59 -3.10 115.31 110.24 2kbx h LEU 119 Ca 0.61 -0.91 0.07 0.00 -0.00 0.00 0.00 57.88 57.65 2kbx h LEU 119 Cb 1.31 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2kbx h LEU 119 CO -0.84 1.01 0.34 1.62 -0.00 0.00 0.00 178.44 180.56 2kbx h VAL 120 N -0.78 0.29 0.00 1.22 3.04 -0.88 2.42 116.25 121.55 2kbx h VAL 120 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2kbx h VAL 120 Cb 1.05 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2kbx h VAL 120 CO 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.59 2kbx n ALA 121 N -2.21 2.16 0.01 3.17 0.00 0.35 -2.35 120.51 121.64 2kbx n ALA 121 Ca 0.03 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 2kbx n ALA 121 Cb 0.46 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 2kbx n ALA 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kbx h ASN 122 N 0.00 0.42 0.00 0.00 -0.73 0.41 -3.48 115.58 112.20 2kbx h ASN 122 Ca 0.00 -0.91 0.00 0.00 1.87 0.00 0.00 56.30 57.26 2kbx h ASN 122 Cb 0.23 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2kbx h ASN 122 CO 0.00 1.79 0.00 0.61 -0.37 0.00 0.00 177.43 179.46 2kbx n GLY 123 N 1.89 1.57 0.05 1.57 0.00 -0.99 -5.01 105.19 104.27 2kbx n GLY 123 Ca -0.30 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.30 -0.79 4.61 0.00 -1.25 -5.01 120.51 120.36 2kbx n ALA 124 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kbx n ALA 124 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.85 -3.11 -0.04 0.00 0.00 -1.26 -4.49 117.00 106.25 2kbx n LEU 125 Ca 0.06 0.87 0.00 0.00 0.00 0.00 0.00 56.01 56.94 2kbx n LEU 125 Cb 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.67 2kbx n LEU 125 CO 0.28 -0.38 0.47 0.55 0.00 0.00 0.00 177.39 178.31 2kbx n VAL 126 N 0.29 0.00 -1.76 1.96 3.14 -1.26 -2.95 118.33 117.75 2kbx n VAL 126 Ca 0.00 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.44 2kbx n VAL 126 Cb 0.00 -0.05 0.14 0.00 -1.06 0.00 0.00 33.84 32.87 2kbx n VAL 126 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2kbx n SER 127 N -0.46 1.51 -0.32 6.55 3.41 -1.26 -4.65 113.62 118.40 2kbx n SER 127 Ca 0.00 -3.16 0.16 0.00 -0.26 0.00 0.00 58.87 55.61 2kbx n SER 127 Cb 0.02 -0.43 0.32 0.00 -0.26 0.00 0.00 64.21 63.86 2kbx n SER 127 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2kbx h ILE 128 N 2.77 0.15 -0.42 -1.33 -2.65 -1.76 -3.46 117.51 110.81 2kbx h ILE 128 Ca -0.06 -0.03 0.00 0.00 1.03 0.00 0.00 64.86 65.80 2kbx h ILE 128 Cb 1.25 0.05 0.00 0.00 -2.05 0.00 0.00 36.82 36.07 2kbx h ILE 128 CO 0.02 0.02 0.00 0.00 0.03 0.00 0.00 178.15 178.22 2kbx n ASN 130 N 0.00 -1.44 0.21 0.00 5.15 -1.25 -4.46 115.26 113.46 2kbx n ASN 130 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 2kbx n ASN 130 Cb 0.00 0.00 0.65 0.00 -0.53 0.00 0.00 39.78 39.90 2kbx n ASN 130 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2kbx h LYS 131 N 0.00 0.00 -0.01 1.20 1.57 -1.89 -1.30 116.57 116.14 2kbx h LYS 131 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kbx h LYS 131 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kbx h LYS 131 CO 0.00 0.00 -0.39 0.98 -0.57 0.00 0.00 179.45 179.47 2kbx n TYR 132 N -4.50 0.03 -1.09 -1.35 9.36 -1.26 -4.90 117.16 113.45 2kbx n TYR 132 Ca -0.01 -1.40 -0.03 0.00 3.32 0.00 0.00 57.90 59.78 2kbx n TYR 132 Cb 0.19 -0.24 -0.01 0.00 -0.63 0.00 0.00 39.34 38.65 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 -1.18 0.35 3.55 2.98 0.00 -0.49 -4.86 105.19 105.55 2kbx n GLY 133 Ca 0.19 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 2.65 0.47 1.61 2.56 -1.26 -4.37 118.70 118.32 2kbx s GLU 134 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 54.97 55.76 2kbx s GLU 134 Cb 0.00 -4.39 -0.02 0.00 2.00 0.00 0.00 34.13 31.72 2kbx s GLU 134 CO 0.00 -2.70 0.17 -1.64 -0.56 0.00 0.00 175.26 170.53 2kbx s MET 135 N 7.02 2.20 0.57 4.30 -1.94 -1.26 -3.93 119.30 126.25 2kbx s MET 135 Ca 0.71 -2.08 0.26 0.00 -1.71 0.00 0.00 55.69 52.87 2kbx s MET 135 Cb -0.14 -1.84 1.62 0.00 2.01 0.00 0.00 34.83 36.48 2kbx s MET 135 CO 0.22 -0.31 2.16 -1.35 -0.01 0.00 0.00 175.02 175.73 2kbx h PRO 136 N 1.27 0.00 -0.95 2.03 0.11 -1.93 -2.02 132.00 130.51 2kbx h PRO 136 Ca -0.42 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.89 2kbx h PRO 136 Cb 1.28 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 2kbx h PRO 136 CO 0.69 0.00 0.53 0.28 -0.21 0.00 0.00 178.00 179.29 2kbx h VAL 137 N 0.00 0.63 0.00 3.15 2.07 -1.94 2.17 116.25 122.32 2kbx h VAL 137 Ca 0.05 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2kbx h VAL 137 Cb 0.24 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2kbx h VAL 137 CO -0.00 0.11 -0.24 0.44 0.02 0.00 0.00 177.57 177.91 2kbx h ASP 138 N 0.62 0.00 0.18 0.57 3.32 -1.75 -1.26 116.42 118.10 2kbx h ASP 138 Ca 0.57 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2kbx h ASP 138 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 2kbx h ASP 138 CO -0.43 1.05 0.00 0.11 -1.72 0.00 0.00 179.24 178.26 2kbx h LYS 139 N -1.00 0.00 0.00 3.56 6.56 -1.30 -0.14 116.57 124.25 2kbx h LYS 139 Ca -0.06 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.35 2kbx h LYS 139 Cb 0.99 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.62 2kbx h LYS 139 CO -0.04 0.00 -1.68 0.00 -2.06 0.00 0.00 179.45 175.67 2kbx n ALA 140 N -1.86 2.00 1.08 3.86 0.00 0.73 -3.95 120.51 122.37 2kbx n ALA 140 Ca -0.01 -0.68 0.13 0.00 0.00 0.00 0.00 53.44 52.88 2kbx n ALA 140 Cb 0.09 -0.78 0.43 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.76 0.16 -0.09 0.00 4.81 -0.16 -2.50 118.16 117.62 2kbx n LYS 141 Ca -0.13 -0.07 -0.17 0.00 -0.87 0.00 0.00 58.31 57.08 2kbx n LYS 141 Cb 0.85 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.31 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbx h ALA 142 N 3.14 0.17 0.17 3.14 0.00 -1.43 -3.40 119.26 121.05 2kbx h ALA 142 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 54.91 53.98 2kbx h ALA 142 Cb 0.48 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2kbx h ALA 142 CO 0.00 0.56 -0.31 -1.35 0.00 0.00 0.00 179.25 178.15 2kbx h PRO 143 N -1.00 -0.54 0.00 0.00 0.11 -1.73 -3.46 132.00 125.38 2kbx h PRO 143 Ca -0.23 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2kbx h PRO 143 Cb 1.06 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kbx h PRO 143 CO -0.14 -0.36 0.00 1.28 -0.21 0.00 0.00 178.00 178.57 2kbx n LEU 144 N -5.42 0.00 0.00 2.35 4.77 -1.25 -5.09 117.00 112.37 2kbx n LEU 144 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2kbx n LEU 144 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2kbx n LEU 144 CO 0.24 0.00 0.36 0.54 -1.33 0.00 0.00 177.39 177.20 2kbx n ARG 145 N 0.00 0.00 0.00 3.23 1.74 -1.04 -4.72 116.66 115.87 2kbx n ARG 145 Ca 0.00 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2kbx n ARG 145 Cb 0.00 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2kbx n ARG 145 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kbx n GLU 146 N -1.14 0.00 0.13 5.56 -0.58 -1.20 -4.67 120.64 118.75 2kbx n GLU 146 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2kbx n GLU 146 Cb 0.00 -3.22 -0.05 0.00 -0.57 0.00 0.00 31.44 27.60 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 -0.35 -1.82 -4.62 7.12 -1.91 -2.68 115.31 111.05 2kbx h LEU 147 Ca 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.90 2kbx h LEU 147 Cb 0.00 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2kbx h LEU 147 CO 0.00 0.12 0.00 0.17 -0.13 0.00 0.00 178.44 178.60 2kbx h LEU 148 N -1.04 0.00 -0.15 2.25 8.10 -1.96 -1.86 115.31 120.64 2kbx h LEU 148 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 2kbx h LEU 148 Cb 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2kbx h LEU 148 CO 0.07 0.00 -0.05 -0.09 -4.11 0.00 0.00 178.44 174.26 2kbx h ARG 149 N 0.00 0.30 -0.49 0.17 2.43 -1.87 -1.32 114.38 113.60 2kbx h ARG 149 Ca 0.00 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2kbx h ARG 149 Cb 0.16 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2kbx h ARG 149 CO 0.00 0.59 0.28 0.93 -1.51 0.00 0.00 179.97 180.26 2kbx h GLU 150 N -0.01 0.67 -0.33 0.20 5.08 -1.01 1.85 114.58 121.03 2kbx h GLU 150 Ca 0.04 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2kbx h GLU 150 Cb 0.49 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2kbx h GLU 150 CO 0.02 0.50 0.23 -0.09 -1.00 0.00 0.00 179.01 178.67 2kbx h ARG 151 N 0.65 0.18 0.00 2.33 9.65 -1.38 -0.08 114.38 125.72 2kbx h ARG 151 Ca 0.17 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.95 2kbx h ARG 151 Cb 0.02 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2kbx h ARG 151 CO -0.03 0.12 -0.54 0.00 2.80 0.00 0.00 179.97 182.32 2kbx h ALA 152 N 1.83 0.11 -0.12 2.80 0.00 0.02 -3.07 119.26 120.82 2kbx h ALA 152 Ca 0.15 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2kbx h ALA 152 Cb 0.35 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kbx h ALA 152 CO -0.02 0.32 0.44 1.49 0.00 0.00 0.00 179.25 181.47 2kbx h GLU 153 N -1.00 0.00 -0.02 0.00 4.81 0.33 0.56 114.58 119.26 2kbx h GLU 153 Ca -0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2kbx h GLU 153 Cb 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2kbx h GLU 153 CO -0.08 0.00 -0.03 0.36 -0.73 0.00 0.00 179.01 178.53 2kbx n LYS 154 N -3.05 1.45 0.23 1.92 -0.00 -0.08 -4.25 118.16 114.38 2kbx n LYS 154 Ca 0.01 -1.49 0.15 0.00 -0.00 0.00 0.00 58.31 56.97 2kbx n LYS 154 Cb 0.51 -1.33 0.79 0.00 -0.00 0.00 0.00 35.03 35.00 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 2kbx h MET 155 N 3.33 0.00 0.00 -1.58 4.05 0.24 -3.44 114.93 117.53 2kbx h MET 155 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kbx h MET 155 Cb 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2kbx h MET 155 CO 0.00 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.55 2kbx n GLY 156 N -1.22 1.64 0.00 1.39 0.00 -1.26 -4.97 105.19 100.77 2kbx n GLY 156 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.20 3.27 -0.09 1.61 3.00 -1.26 -4.85 117.38 117.86 2kbx n GLN 157 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2kbx n GLN 157 Cb 0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 30.24 29.70 2kbx n GLN 157 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 2kbx h ASN 158 N 0.00 0.00 -1.79 1.08 -0.73 -1.82 -3.40 115.58 108.92 2kbx h ASN 158 Ca 0.00 -0.30 -0.75 0.00 1.87 0.00 0.00 56.30 57.11 2kbx h ASN 158 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 38.42 2kbx h ASN 158 CO 0.00 1.20 1.68 0.00 -0.37 0.00 0.00 177.43 179.94 2kbx n LEU 159 N -4.51 6.06 -4.43 0.34 -0.00 -1.26 -4.94 117.00 108.26 2kbx n LEU 159 Ca -0.22 -4.61 -0.42 0.00 -0.00 0.00 0.00 56.01 50.76 2kbx n LEU 159 Cb 0.51 -1.52 -0.10 0.00 -0.00 0.00 0.00 43.42 42.30 2kbx n LEU 159 CO 0.15 1.14 -0.11 0.54 -0.00 0.00 0.00 177.39 179.11 2kbx s ASN 160 N 1.52 5.96 0.72 1.45 2.20 -1.26 -5.00 114.94 120.53 2kbx s ASN 160 Ca 0.40 -0.89 -0.15 0.00 -0.94 0.00 0.00 52.86 51.29 2kbx s ASN 160 Cb 0.04 -2.11 0.04 0.00 -2.00 0.00 0.00 41.25 37.22 2kbx s ASN 160 CO 0.01 -0.40 1.18 -0.60 -2.94 0.00 0.00 177.10 174.34 2kbx s ARG 161 N 1.64 2.23 -0.26 3.55 6.06 -1.26 -4.83 118.95 126.07 2kbx s ARG 161 Ca 0.04 1.67 -0.29 0.00 -2.50 0.00 0.00 55.73 54.64 2kbx s ARG 161 Cb -0.19 -1.85 -0.06 0.00 0.06 0.00 0.00 34.95 32.90 2kbx s ARG 161 CO 0.09 -1.75 2.23 1.51 -2.50 0.00 0.00 175.30 174.89 2kbx n ILE 162 N -2.73 0.29 -1.79 4.11 0.13 -1.26 -4.91 119.36 113.20 2kbx n ILE 162 Ca 0.13 -0.44 -0.38 0.00 -1.10 0.00 0.00 62.75 60.95 2kbx n ILE 162 Cb 0.51 -2.40 0.04 0.00 -0.84 0.00 0.00 39.64 36.95 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 6.47 3.06 -0.38 9.51 0.02 -1.26 -4.78 135.00 147.64 2kbx s PRO 163 Ca 1.03 2.20 -0.38 0.00 0.02 0.00 0.00 61.00 63.87 2kbx s PRO 163 Cb -0.43 -2.19 -0.13 0.00 0.02 0.00 0.00 34.50 31.76 2kbx s PRO 163 CO 0.37 -1.24 2.16 0.98 -0.33 0.00 0.00 177.00 178.94 2kbx n TYR 164 N -1.16 1.52 -3.63 6.54 9.36 -1.26 -4.85 117.16 123.68 2kbx n TYR 164 Ca 0.11 0.40 -0.03 0.00 3.32 0.00 0.00 57.90 61.70 2kbx n TYR 164 Cb 0.46 -2.47 -0.04 0.00 -0.63 0.00 0.00 39.34 36.65 2kbx n TYR 164 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2kbx s LYS 165 N 6.04 0.15 0.00 2.98 -2.85 -1.26 -4.99 119.74 119.80 2kbx s LYS 165 Ca 1.11 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 56.11 2kbx s LYS 165 Cb -1.02 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.82 2kbx s LYS 165 CO 0.54 -0.05 0.00 -0.25 0.10 0.00 0.00 175.35 175.69 2kbx n ASP 166 N 0.52 0.00 0.00 0.03 8.00 -1.26 -4.94 116.55 118.90 2kbx n ASP 166 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2kbx n ASP 166 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2kbx n ASP 166 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2kbx n THR 167 N 0.00 0.00 0.00 -3.53 -1.04 -1.26 -4.99 114.28 103.46 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 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 0.00 0.00 -1.42 3.72 -1.26 -4.49 117.46 114.00 2kbx n PHE 168 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kbx n PHE 168 Cb 0.07 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.91 0.00 -1.97 1.38 7.02 -1.26 -1.79 117.44 118.90 2kbx n TRP 169 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2kbx n TRP 169 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2kbx n TRP 169 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 2kbx n LYS 170 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -5.18 118.16 110.73 2kbx n LYS 170 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kbx n LYS 170 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81