#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 1.80 0.00 7.83 9.92 -1.26 -4.74 116.55 130.09 2kbx n ASP 2 Ca 0.00 -2.15 0.00 0.00 -0.53 0.00 0.00 54.79 52.11 2kbx n ASP 2 Cb 0.00 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 2kbx n ASP 2 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kbx n ASP 3 N 0.10 0.00 -0.03 -2.24 5.75 -1.26 0.21 116.55 119.08 2kbx n ASP 3 Ca 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.84 2kbx n ASP 3 Cb 0.41 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.84 2kbx n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 2kbx h ILE 4 N 0.00 1.16 -0.81 2.12 3.07 -1.96 -1.92 117.51 119.17 2kbx h ILE 4 Ca 0.00 -0.47 0.12 0.00 1.55 0.00 0.00 64.86 66.06 2kbx h ILE 4 Cb 0.00 0.63 -0.08 0.00 -0.27 0.00 0.00 36.82 37.10 2kbx h ILE 4 CO 0.00 0.19 0.43 -0.26 -1.05 0.00 0.00 178.15 177.45 2kbx h PHE 5 N 0.61 0.76 -0.05 0.16 0.04 -1.78 2.32 116.94 118.99 2kbx h PHE 5 Ca 0.15 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 2kbx h PHE 5 Cb 0.10 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2kbx h PHE 5 CO 0.01 0.24 -0.19 1.15 -0.60 0.00 0.00 178.31 178.92 2kbx h THR 6 N 0.66 1.45 0.00 -1.55 2.02 0.31 -2.89 112.91 112.92 2kbx h THR 6 Ca 0.42 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2kbx h THR 6 Cb 0.51 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2kbx h THR 6 CO -0.31 0.45 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2kbx n GLN 7 N -4.57 0.18 -0.06 6.66 6.02 -0.75 -2.99 117.38 121.86 2kbx n GLN 7 Ca -0.08 0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 56.91 2kbx n GLN 7 Cb 0.42 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 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 -4.64 0.05 0.00 0.00 -4.01 -1.16 -3.05 116.66 103.85 2kbx n ARG 9 Ca -0.08 0.18 0.01 0.00 -1.04 0.00 0.00 57.85 56.91 2kbx n ARG 9 Cb 0.40 -1.50 0.06 0.00 -3.04 0.00 0.00 32.46 28.38 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 -1.46 0.18 -0.35 2.89 -0.58 -1.16 -4.64 120.64 115.53 2kbx n GLU 10 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2kbx n GLU 10 Cb 0.20 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 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 -0.43 0.72 2.40 0.62 0.00 -1.17 -4.92 105.19 102.40 2kbx n GLY 11 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 6.14 -0.13 1.61 3.02 -1.20 -4.58 115.26 120.12 2kbx n ASN 12 Ca 0.00 -2.40 0.24 0.00 -0.03 0.00 0.00 54.58 52.39 2kbx n ASN 12 Cb 0.00 -1.26 0.38 0.00 -0.61 0.00 0.00 39.78 38.29 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx h ALA 13 N 5.28 2.83 0.00 5.41 0.00 -1.91 3.02 119.26 133.89 2kbx h ALA 13 Ca 0.56 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.22 2kbx h ALA 13 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kbx h ALA 13 CO 1.32 -1.64 -0.94 -0.24 0.00 0.00 0.00 179.25 177.76 2kbx h VAL 14 N 0.00 1.41 -0.17 0.00 3.04 -1.93 -2.54 116.25 116.07 2kbx h VAL 14 Ca 0.42 -2.48 -0.21 0.00 -1.01 0.00 0.00 66.70 63.42 2kbx h VAL 14 Cb 2.78 2.43 0.01 0.00 -2.01 0.00 0.00 31.29 34.50 2kbx h VAL 14 CO -0.00 0.74 -0.71 0.00 -1.01 0.00 0.00 177.57 176.59 2kbx h ALA 15 N 0.76 0.31 -0.29 3.17 0.00 0.51 -0.11 119.26 123.62 2kbx h ALA 15 Ca -0.08 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 2kbx h ALA 15 Cb 1.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2kbx h ALA 15 CO 0.16 0.64 -0.37 -0.24 0.00 0.00 0.00 179.25 179.44 2kbx h VAL 16 N 0.51 1.29 -0.44 0.00 3.04 -1.52 -2.73 116.25 116.39 2kbx h VAL 16 Ca -0.04 -1.52 -0.07 0.00 -1.01 0.00 0.00 66.70 64.05 2kbx h VAL 16 Cb 1.34 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 32.07 2kbx h VAL 16 CO 0.15 0.49 -0.01 -0.09 -1.01 0.00 0.00 177.57 177.10 2kbx h ARG 17 N 0.54 0.79 -0.54 4.17 2.43 -1.41 -1.02 114.38 119.36 2kbx h ARG 17 Ca 0.05 -0.26 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2kbx h ARG 17 Cb 0.88 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.26 2kbx h ARG 17 CO 0.08 0.86 -0.44 1.25 -1.51 0.00 0.00 179.97 180.20 2kbx h LEU 18 N 0.63 -1.52 -0.52 3.80 6.46 -0.70 0.11 115.31 123.58 2kbx h LEU 18 Ca 0.12 0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 58.04 2kbx h LEU 18 Cb 0.51 0.68 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 2kbx h LEU 18 CO 0.02 -0.35 -0.43 4.11 -0.62 0.00 0.00 178.44 181.18 2kbx h TRP 19 N -0.26 0.00 -0.91 1.25 5.08 -1.47 -3.11 115.95 116.53 2kbx h TRP 19 Ca 0.16 0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.24 2kbx h TRP 19 Cb 0.57 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.66 2kbx h TRP 19 CO -0.70 0.43 0.59 1.25 -1.28 0.00 0.00 178.44 178.73 2kbx h LEU 20 N 0.00 0.81 -4.66 0.11 7.12 0.56 -1.30 115.31 117.96 2kbx h LEU 20 Ca -0.00 0.03 -0.57 0.00 0.13 0.00 0.00 57.88 57.46 2kbx h LEU 20 Cb 1.12 -0.14 -0.20 0.00 -0.53 0.00 0.00 40.66 40.91 2kbx h LEU 20 CO 0.06 0.47 0.57 -0.67 -0.13 0.00 0.00 178.44 178.74 2kbx n ASP 21 N -4.54 6.76 -4.62 1.25 2.03 -0.56 -4.95 116.55 111.92 2kbx n ASP 21 Ca 0.16 -3.38 -0.43 0.00 0.52 0.00 0.00 54.79 51.67 2kbx n ASP 21 Cb 0.33 -1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 39.51 2kbx n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kbx s ASN 22 N -0.03 6.00 0.00 1.67 2.47 -0.49 -4.80 114.94 119.75 2kbx s ASN 22 Ca 0.57 1.70 0.15 0.00 0.42 0.00 0.00 52.86 55.70 2kbx s ASN 22 Cb 0.40 -2.52 0.82 0.00 -1.45 0.00 0.00 41.25 38.49 2kbx s ASN 22 CO -0.28 -1.56 1.34 1.07 -3.72 0.00 0.00 177.10 173.95 2kbx n THR 23 N 6.99 0.25 0.29 -5.21 5.66 -1.26 -1.56 114.28 119.44 2kbx n THR 23 Ca 0.23 0.06 0.06 0.00 -3.05 0.00 0.00 64.05 61.35 2kbx n THR 23 Cb 0.45 -0.83 -0.08 0.00 -1.55 0.00 0.00 70.33 68.33 2kbx n THR 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbx n GLU 24 N -1.12 1.96 -3.09 1.09 1.02 -1.26 -5.05 120.64 114.18 2kbx n GLU 24 Ca 0.09 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 56.99 2kbx n GLU 24 Cb 0.08 -1.14 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.55 -7.07 0.00 1.62 5.03 -0.60 -4.92 115.26 107.76 2kbx n ASN 25 Ca 0.00 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.73 2kbx n ASN 25 Cb 0.23 -4.04 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 -0.28 0.00 0.01 6.41 8.00 -1.26 -4.84 116.55 124.59 2kbx n ASP 26 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2kbx n ASP 26 Cb 0.54 0.23 0.03 0.00 -0.02 0.00 0.00 41.12 41.90 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 -2.14 0.02 -1.00 0.64 7.99 -1.26 -1.65 117.00 119.61 2kbx n LEU 27 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 2kbx n LEU 27 Cb 0.00 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 2kbx n LEU 27 CO 0.00 -0.28 0.37 -3.20 -1.51 0.00 0.00 177.39 172.77 2kbx n ASN 28 N -1.32 2.20 -4.80 -1.43 4.05 -1.26 -4.83 115.26 107.87 2kbx n ASN 28 Ca -0.00 -1.46 -0.35 0.00 0.45 0.00 0.00 54.58 53.22 2kbx n ASN 28 Cb 0.26 -0.37 -0.07 0.00 1.23 0.00 0.00 39.78 40.84 2kbx n ASN 28 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2kbx s GLN 29 N 0.27 4.37 0.00 1.20 0.74 -0.66 -4.85 119.66 120.74 2kbx s GLN 29 Ca 0.00 1.19 0.00 0.00 0.05 0.00 0.00 55.36 56.60 2kbx s GLN 29 Cb 0.00 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.65 2kbx s GLN 29 CO 0.00 0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.26 2kbx n GLY 30 N -0.11 0.57 3.40 2.59 0.00 -1.26 -4.57 105.19 105.82 2kbx n GLY 30 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 2.11 0.45 1.61 2.15 0.00 -4.89 116.67 117.10 2kbx s ASP 31 Ca 0.00 -1.65 0.25 0.00 0.43 0.00 0.00 52.55 51.58 2kbx s ASP 31 Cb 0.00 0.47 0.80 0.00 -0.30 0.00 0.00 42.92 43.89 2kbx s ASP 31 CO 0.00 -0.94 1.77 -0.78 -0.17 0.00 0.00 175.17 175.05 2kbx h ASP 32 N 2.01 0.00 0.20 -0.34 1.82 -2.01 -2.66 116.42 115.45 2kbx h ASP 32 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2kbx h ASP 32 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2kbx h ASP 32 CO 0.51 0.16 -0.10 1.41 -1.61 0.00 0.00 179.24 179.61 2kbx n HIS 33 N -3.23 0.00 -0.20 0.28 -0.00 -1.26 -4.89 115.22 105.92 2kbx n HIS 33 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2kbx n HIS 33 Cb 0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 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 1.23 0.88 3.71 -1.41 0.00 -1.00 -4.14 105.19 104.46 2kbx n GLY 34 Ca 0.16 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 3.62 0.23 1.61 0.08 -1.26 -4.64 117.98 115.62 2kbx s PHE 35 Ca 0.00 1.62 0.04 0.00 0.12 0.00 0.00 56.93 58.71 2kbx s PHE 35 Cb 0.00 -3.18 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 2kbx s PHE 35 CO 0.00 -0.28 0.36 -1.54 -0.10 0.00 0.00 175.22 173.66 2kbx s SER 36 N 0.99 6.32 0.28 1.36 1.04 -1.26 -0.82 113.70 121.61 2kbx s SER 36 Ca 0.53 0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2kbx s SER 36 Cb -0.23 -1.88 0.52 0.00 0.10 0.00 0.00 66.02 64.53 2kbx s SER 36 CO 0.28 -0.06 1.84 -0.65 0.98 0.00 0.00 173.24 175.63 2kbx h PRO 37 N 1.31 0.99 -0.88 4.02 0.11 -1.89 -0.07 132.00 135.58 2kbx h PRO 37 Ca -0.51 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 65.66 2kbx h PRO 37 Cb 1.22 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 2kbx h PRO 37 CO 0.62 0.65 0.50 -0.07 -0.21 0.00 0.00 178.00 179.50 2kbx h LEU 38 N 1.02 0.68 0.47 2.35 3.38 -1.98 0.51 115.31 121.74 2kbx h LEU 38 Ca 0.48 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2kbx h LEU 38 Cb 0.43 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kbx h LEU 38 CO -0.25 0.34 -0.24 0.45 0.09 0.00 0.00 178.44 178.82 2kbx h HIS 39 N 0.76 -0.64 -0.61 1.13 3.86 -1.39 0.41 115.15 118.67 2kbx h HIS 39 Ca 0.46 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.78 2kbx h HIS 39 Cb 0.54 0.22 -0.10 0.00 1.06 0.00 0.00 27.41 29.12 2kbx h HIS 39 CO -0.06 -0.38 -0.01 -1.49 0.86 0.00 0.00 177.93 176.85 2kbx h TRP 40 N -0.65 -0.07 0.52 2.45 4.06 -1.15 -1.92 115.95 119.19 2kbx h TRP 40 Ca -0.06 0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 2kbx h TRP 40 Cb 0.51 0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 2kbx h TRP 40 CO 0.08 -0.17 -0.49 0.00 -3.56 0.00 0.00 178.44 174.29 2kbx h ALA 41 N 1.56 -1.12 -0.80 1.49 0.00 0.28 -0.68 119.26 119.99 2kbx h ALA 41 Ca 0.32 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.27 2kbx h ALA 41 Cb 0.51 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2kbx h ALA 41 CO -0.53 -1.17 0.81 0.00 0.00 0.00 0.00 179.25 178.36 2kbx h ARG 43 N 0.00 -0.40 -0.08 0.00 2.43 -0.49 -3.35 114.38 112.49 2kbx h ARG 43 Ca 0.38 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 2kbx h ARG 43 Cb 1.99 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 31.58 2kbx h ARG 43 CO -0.00 -0.27 -0.25 1.05 -1.51 0.00 0.00 179.97 178.99 2kbx h GLU 44 N -0.83 -0.33 0.00 0.20 4.11 -0.93 -3.47 114.58 113.32 2kbx h GLU 44 Ca -0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2kbx h GLU 44 Cb 0.32 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2kbx h GLU 44 CO 0.07 -0.22 0.00 0.41 0.07 0.00 0.00 179.01 179.34 2kbx n GLY 45 N -1.37 1.30 2.53 1.06 0.00 -0.74 -4.99 105.19 102.98 2kbx n GLY 45 Ca -0.04 0.00 -0.14 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 -0.45 1.44 -0.30 1.61 1.74 -1.26 -4.62 116.66 114.82 2kbx n ARG 46 Ca 0.00 -0.99 0.28 0.00 -0.77 0.00 0.00 57.85 56.37 2kbx n ARG 46 Cb 0.00 -2.14 0.50 0.00 -1.02 0.00 0.00 32.46 29.80 2kbx n ARG 46 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kbx n SER 47 N 3.77 0.25 0.00 0.55 7.64 -1.26 -2.31 113.62 122.26 2kbx n SER 47 Ca 0.31 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.46 2kbx n SER 47 Cb 0.22 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -2.45 0.00 -0.33 -0.43 0.00 -1.26 0.57 120.51 116.62 2kbx n ALA 48 Ca 0.31 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.98 2kbx n ALA 48 Cb 1.12 0.04 0.44 0.00 0.00 0.00 0.00 19.45 21.05 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 0.08 -0.58 0.00 -1.51 -1.87 0.29 116.25 112.65 2kbx h VAL 49 Ca 0.00 -0.02 -0.10 0.00 -1.23 0.00 0.00 66.70 65.35 2kbx h VAL 49 Cb 0.00 0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.15 2kbx h VAL 49 CO 0.00 0.01 -0.02 1.62 -1.23 0.00 0.00 177.57 177.96 2kbx h VAL 50 N 0.07 1.27 0.05 7.19 3.04 -1.33 -2.57 116.25 123.96 2kbx h VAL 50 Ca 0.71 -1.16 0.03 0.00 -1.01 0.00 0.00 66.70 65.27 2kbx h VAL 50 Cb 1.69 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 31.78 2kbx h VAL 50 CO -0.79 0.42 -0.29 -0.08 -1.01 0.00 0.00 177.57 175.82 2kbx h GLU 51 N 0.93 -0.45 0.00 4.17 4.22 0.39 -0.96 114.58 122.87 2kbx h GLU 51 Ca 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.62 2kbx h GLU 51 Cb 0.57 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kbx h GLU 51 CO 0.03 -0.30 -0.07 0.00 -2.18 0.00 0.00 179.01 176.49 2kbx h MET 52 N -0.47 0.00 0.14 1.92 -0.00 -1.44 -2.52 114.93 112.56 2kbx h MET 52 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.74 2kbx h MET 52 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2kbx h MET 52 CO -0.21 0.07 -0.07 1.25 -0.00 0.00 0.00 176.91 177.95 2kbx h LEU 53 N 0.00 -0.16 -1.47 -0.10 7.12 -0.78 -2.00 115.31 117.92 2kbx h LEU 53 Ca -0.00 -0.13 0.25 0.00 0.13 0.00 0.00 57.88 58.13 2kbx h LEU 53 Cb 0.13 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 2kbx h LEU 53 CO 0.01 0.03 0.94 0.40 -0.13 0.00 0.00 178.44 179.69 2kbx h ILE 54 N -0.35 0.15 0.02 4.05 2.04 -0.92 1.62 117.51 124.11 2kbx h ILE 54 Ca -0.02 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.63 2kbx h ILE 54 Cb 0.28 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2kbx h ILE 54 CO 0.03 0.00 -1.00 0.24 0.00 0.00 0.00 178.15 177.42 2kbx h MET 55 N 0.00 0.07 -1.00 2.37 2.86 -1.41 -3.12 114.93 114.70 2kbx h MET 55 Ca 0.41 -0.10 0.25 0.00 -2.06 0.00 0.00 59.70 58.20 2kbx h MET 55 Cb 2.29 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 33.91 2kbx h MET 55 CO -0.00 1.00 0.66 -0.09 1.06 0.00 0.00 176.91 179.54 2kbx h ARG 56 N 0.02 0.31 0.00 1.72 2.43 0.25 -3.44 114.38 115.68 2kbx h ARG 56 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kbx h ARG 56 Cb 1.73 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2kbx h ARG 56 CO 0.14 0.21 0.00 0.41 -1.51 0.00 0.00 179.97 179.22 2kbx n GLY 57 N -1.54 0.89 3.76 2.80 0.00 -1.18 -5.11 105.19 104.82 2kbx n GLY 57 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.53 3.48 -0.00 4.61 0.00 -1.26 -4.95 121.76 122.11 2kbx s ALA 58 Ca 0.00 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 2kbx s ALA 58 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2kbx s ALA 58 CO 0.00 -0.51 1.19 0.50 0.00 0.00 0.00 175.76 176.95 2kbx s ARG 59 N -1.45 4.39 0.00 0.00 3.52 -1.26 -4.84 118.95 119.32 2kbx s ARG 59 Ca 0.49 1.70 0.27 0.00 -0.13 0.00 0.00 55.73 58.06 2kbx s ARG 59 Cb -0.37 -3.47 0.79 0.00 -1.56 0.00 0.00 34.95 30.33 2kbx s ARG 59 CO 0.48 -0.35 1.59 -0.89 -0.81 0.00 0.00 175.30 175.31 2kbx n ILE 60 N 4.30 0.00 1.45 4.11 2.08 -1.26 -3.79 119.36 126.25 2kbx n ILE 60 Ca 0.10 -0.26 0.14 0.00 0.56 0.00 0.00 62.75 63.29 2kbx n ILE 60 Cb 0.46 0.67 0.53 0.00 -0.75 0.00 0.00 39.64 40.55 2kbx n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2kbx n ASN 61 N 0.13 1.09 -4.19 4.38 5.03 -1.26 -4.68 115.26 115.76 2kbx n ASN 61 Ca 0.16 -1.15 -0.29 0.00 0.87 0.00 0.00 54.58 54.17 2kbx n ASN 61 Cb 0.40 0.03 0.27 0.00 -1.02 0.00 0.00 39.78 39.46 2kbx n ASN 61 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2kbx s VAL 62 N -2.21 1.78 0.05 2.41 -7.23 -1.25 -5.03 120.40 108.92 2kbx s VAL 62 Ca 0.33 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.47 2kbx s VAL 62 Cb 0.20 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 2kbx s VAL 62 CO 0.41 0.00 0.05 -0.32 -0.31 0.00 0.00 175.10 174.93 2kbx s MET 63 N -4.56 0.61 0.51 4.82 1.75 -1.26 -4.57 119.30 116.59 2kbx s MET 63 Ca 0.69 -0.94 -0.07 0.00 -1.25 0.00 0.00 55.69 54.11 2kbx s MET 63 Cb -0.23 0.23 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 2kbx s MET 63 CO 0.64 -0.14 0.85 0.54 -0.65 0.00 0.00 175.02 176.26 2kbx s ASN 64 N -2.46 6.28 0.67 1.11 4.22 -1.02 -4.90 114.94 118.83 2kbx s ASN 64 Ca -0.00 1.08 0.39 0.00 -2.14 0.00 0.00 52.86 52.19 2kbx s ASN 64 Cb 0.02 -2.31 2.15 0.00 1.28 0.00 0.00 41.25 42.39 2kbx s ASN 64 CO -0.07 -0.64 2.21 0.08 -2.04 0.00 0.00 177.10 176.64 2kbx h ARG 65 N 0.16 0.00 -0.99 3.55 -0.00 -1.82 -1.20 114.38 114.08 2kbx h ARG 65 Ca -0.46 0.00 -0.64 0.00 -0.00 0.00 0.00 59.98 58.88 2kbx h ARG 65 Cb 1.20 0.00 -0.30 0.00 -0.00 0.00 0.00 29.97 30.87 2kbx h ARG 65 CO 0.62 0.00 0.80 0.41 -0.00 0.00 0.00 179.97 181.80 2kbx n GLY 66 N -1.13 5.59 3.27 0.08 0.00 -1.26 -4.95 105.19 106.79 2kbx n GLY 66 Ca -0.03 -2.05 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 2kbx n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbx n ASP 67 N -0.97 -6.33 -3.17 1.61 8.00 -0.45 -5.00 116.55 110.24 2kbx n ASP 67 Ca 0.62 0.18 0.03 0.00 0.71 0.00 0.00 54.79 56.33 2kbx n ASP 67 Cb 0.89 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.12 39.36 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kbx s ASP 68 N -1.62 -1.28 0.33 -2.24 -1.08 -1.26 -4.84 116.67 104.68 2kbx s ASP 68 Ca 0.27 0.78 -0.07 0.00 -0.52 0.00 0.00 52.55 53.01 2kbx s ASP 68 Cb -0.04 2.08 -0.06 0.00 -1.46 0.00 0.00 42.92 43.45 2kbx s ASP 68 CO 0.70 -0.27 0.63 0.42 0.52 0.00 0.00 175.17 177.17 2kbx s THR 69 N 2.83 4.94 0.35 1.71 -4.23 -1.26 -2.44 115.64 117.54 2kbx s THR 69 Ca 0.20 0.27 0.09 0.00 -1.18 0.00 0.00 61.69 61.07 2kbx s THR 69 Cb -0.15 -3.73 0.33 0.00 1.34 0.00 0.00 72.50 70.29 2kbx s THR 69 CO -0.21 -0.38 1.85 -0.65 -0.54 0.00 0.00 174.62 174.69 2kbx h PRO 70 N 1.56 0.66 -0.46 3.99 0.10 -1.83 -1.42 132.00 134.60 2kbx h PRO 70 Ca -0.47 -0.04 0.07 0.00 0.10 0.00 0.00 66.00 65.66 2kbx h PRO 70 Cb 1.19 -0.15 -0.06 0.00 0.10 0.00 0.00 31.00 32.08 2kbx h PRO 70 CO 0.65 0.44 0.11 1.25 0.10 0.00 0.00 178.00 180.55 2kbx h LEU 71 N 0.68 0.04 0.20 2.35 5.85 -1.92 1.08 115.31 123.59 2kbx h LEU 71 Ca 0.47 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.26 2kbx h LEU 71 Cb 0.79 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2kbx h LEU 71 CO -0.23 0.05 -0.16 0.45 -0.34 0.00 0.00 178.44 178.21 2kbx h HIS 72 N 0.25 -0.44 -0.74 1.25 3.86 -1.63 0.28 115.15 117.97 2kbx h HIS 72 Ca 0.22 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.58 2kbx h HIS 72 Cb 0.28 0.17 -0.14 0.00 1.06 0.00 0.00 27.41 28.78 2kbx h HIS 72 CO -0.20 -0.22 -0.23 -0.07 0.86 0.00 0.00 177.93 178.06 2kbx h LEU 73 N -0.35 -0.84 0.15 2.43 3.38 -1.20 1.06 115.31 119.94 2kbx h LEU 73 Ca -0.03 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kbx h LEU 73 Cb 0.29 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2kbx h LEU 73 CO -0.00 -0.26 -0.14 0.00 0.09 0.00 0.00 178.44 178.12 2kbx h ALA 74 N 1.59 -0.88 -0.45 1.53 0.00 0.15 -1.36 119.26 119.85 2kbx h ALA 74 Ca 0.34 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2kbx h ALA 74 Cb 0.56 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kbx h ALA 74 CO -0.78 -0.88 0.41 0.00 0.00 0.00 0.00 179.25 178.00 2kbx h ALA 75 N -1.53 2.24 -0.25 0.00 0.00 0.29 -1.37 119.26 118.63 2kbx h ALA 75 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2kbx h ALA 75 Cb 0.25 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2kbx h ALA 75 CO -0.01 -0.64 -0.13 0.66 0.00 0.00 0.00 179.25 179.12 2kbx h SER 76 N 0.00 -0.43 0.69 0.00 4.64 0.23 -2.76 113.55 115.93 2kbx h SER 76 Ca 0.21 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 2kbx h SER 76 Cb 1.03 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2kbx h SER 76 CO -0.00 -0.16 -0.48 -0.74 -0.87 0.00 0.00 176.83 174.57 2kbx h HIS 77 N -0.10 -1.30 0.00 4.77 6.17 -1.01 -3.46 115.15 120.22 2kbx h HIS 77 Ca 0.13 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.21 2kbx h HIS 77 Cb 0.30 0.47 0.00 0.00 2.52 0.00 0.00 27.41 30.70 2kbx h HIS 77 CO -0.31 -0.69 0.00 0.41 0.71 0.00 0.00 177.93 178.05 2kbx n GLY 78 N -1.59 0.95 3.55 5.26 0.00 -1.04 -5.06 105.19 107.27 2kbx n GLY 78 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.93 1.58 0.32 1.61 5.04 -1.26 -4.81 115.29 115.83 2kbx s HIS 79 Ca 0.00 0.96 0.09 0.00 -1.54 0.00 0.00 55.06 54.57 2kbx s HIS 79 Cb 0.00 -3.94 0.94 0.00 0.04 0.00 0.00 32.58 29.62 2kbx s HIS 79 CO 0.00 -2.09 1.64 0.07 -2.34 0.00 0.00 174.74 172.02 2kbx h ARG 80 N 14.19 0.20 0.48 2.88 0.11 -1.97 -1.65 114.38 128.62 2kbx h ARG 80 Ca -0.12 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.94 2kbx h ARG 80 Cb 1.11 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 2kbx h ARG 80 CO 1.19 0.13 -0.48 0.22 0.10 0.00 0.00 179.97 181.13 2kbx h ASP 81 N 0.21 -1.33 -0.13 0.08 3.58 -2.01 -1.26 116.42 115.56 2kbx h ASP 81 Ca 0.67 0.11 0.04 0.00 0.42 0.00 0.00 57.03 58.26 2kbx h ASP 81 Cb 1.49 0.44 -0.01 0.00 1.72 0.00 0.00 39.33 42.97 2kbx h ASP 81 CO -0.68 -0.64 0.13 -0.29 -2.88 0.00 0.00 179.24 174.87 2kbx h ILE 82 N -0.97 0.60 0.48 2.25 2.10 -1.70 -2.59 117.51 117.67 2kbx h ILE 82 Ca -0.05 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.86 2kbx h ILE 82 Cb 0.85 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 2kbx h ILE 82 CO -0.07 0.00 -0.23 0.58 -1.08 0.00 0.00 178.15 177.35 2kbx h VAL 83 N 0.00 0.00 -1.05 2.19 2.07 -0.82 -0.85 116.25 117.79 2kbx h VAL 83 Ca 0.06 -0.34 0.28 0.00 0.82 0.00 0.00 66.70 67.52 2kbx h VAL 83 Cb 0.32 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.97 2kbx h VAL 83 CO -0.00 0.00 0.64 0.06 0.02 0.00 0.00 177.57 178.29 2kbx h GLN 84 N -0.98 0.42 0.18 1.57 3.07 -1.04 1.46 115.11 119.79 2kbx h GLN 84 Ca -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 2kbx h GLN 84 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2kbx h GLN 84 CO 0.11 0.28 -0.09 0.87 0.09 0.00 0.00 178.83 180.09 2kbx h LYS 85 N 0.43 -0.23 0.00 0.06 1.57 -1.40 0.45 116.57 117.44 2kbx h LYS 85 Ca 0.65 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 2kbx h LYS 85 Cb 1.52 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.88 2kbx h LYS 85 CO -0.42 0.13 0.00 -0.07 -0.57 0.00 0.00 179.45 178.52 2kbx h LEU 86 N -0.65 0.00 0.00 2.94 3.38 0.16 -2.05 115.31 119.09 2kbx h LEU 86 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2kbx h LEU 86 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kbx h LEU 86 CO 0.04 0.00 -0.74 0.25 0.09 0.00 0.00 178.44 178.08 2kbx h LEU 87 N 0.00 0.00 0.05 1.67 5.85 0.21 -3.26 115.31 119.82 2kbx h LEU 87 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 2kbx h LEU 87 Cb 0.72 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2kbx h LEU 87 CO 0.00 0.37 -2.01 1.67 -0.34 0.00 0.00 178.44 178.13 2kbx n GLN 88 N -3.04 0.69 0.21 1.25 0.00 0.14 -0.99 117.38 115.65 2kbx n GLN 88 Ca -0.01 0.23 0.07 0.00 -0.00 0.00 0.00 57.00 57.28 2kbx n GLN 88 Cb 0.70 -1.69 0.48 0.00 0.00 0.00 0.00 30.24 29.73 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 0.03 0.00 0.00 3.69 -1.99 -1.51 -3.38 116.97 113.80 2kbx h TYR 89 Ca -0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 2kbx h TYR 89 Cb 2.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.77 2kbx h TYR 89 CO 0.03 0.28 0.00 0.36 -0.00 0.00 0.00 178.16 178.83 2kbx n LYS 90 N -3.81 1.84 -3.88 4.88 2.85 -1.23 -5.05 118.16 113.76 2kbx n LYS 90 Ca -0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.95 2kbx n LYS 90 Cb 0.37 -0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.60 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 91 N 0.00 -2.26 0.81 0.58 0.00 -0.16 -4.75 120.51 114.74 2kbx n ALA 91 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kbx n ALA 91 Cb 0.00 -2.50 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 -2.79 2.27 0.13 0.00 2.03 -1.26 -3.33 116.55 113.59 2kbx n ASP 92 Ca -0.22 -1.62 -0.22 0.00 0.52 0.00 0.00 54.79 53.25 2kbx n ASP 92 Cb 0.64 -0.41 -0.15 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.17 1.33 -0.18 5.18 -0.00 -1.92 -2.96 117.51 119.14 2kbx h ILE 93 Ca 0.00 -2.72 -0.04 0.00 -0.00 0.00 0.00 64.86 62.10 2kbx h ILE 93 Cb 0.77 2.94 -0.02 0.00 -0.00 0.00 0.00 36.82 40.51 2kbx h ILE 93 CO 0.00 0.81 0.05 0.59 -0.00 0.00 0.00 178.15 179.60 2kbx n ASN 94 N -3.70 2.49 -3.40 2.19 3.02 -1.21 -4.51 115.26 110.14 2kbx n ASN 94 Ca -0.14 -2.28 -0.18 0.00 -0.03 0.00 0.00 54.58 51.94 2kbx n ASN 94 Cb 1.06 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 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 -1.26 -0.31 1.00 5.41 0.00 -1.12 -5.14 121.76 120.33 2kbx s ALA 95 Ca 0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 2kbx s ALA 95 Cb 0.11 -1.82 0.14 0.00 0.00 0.00 0.00 23.12 21.54 2kbx s ALA 95 CO 0.04 -1.83 0.82 0.28 0.00 0.00 0.00 175.76 175.06 2kbx n VAL 96 N 4.99 0.00 0.00 0.00 0.31 -1.26 -4.86 118.33 117.51 2kbx n VAL 96 Ca 0.02 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 2kbx n VAL 96 Cb 0.45 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 2kbx n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2kbx n ASN 97 N -3.52 0.00 0.00 4.52 5.03 -1.26 -5.01 115.26 115.01 2kbx n ASN 97 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2kbx n ASN 97 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 2kbx n ASN 97 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2kbx n GLU 98 N 0.00 3.79 0.00 3.52 1.02 -1.26 -4.63 120.64 123.08 2kbx n GLU 98 Ca 0.00 -0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2kbx n GLU 98 Cb 0.00 -0.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 2kbx n GLU 98 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kbx n HIS 99 N -0.57 0.01 -0.57 -0.32 1.44 -1.26 -4.94 115.22 109.00 2kbx n HIS 99 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kbx n HIS 99 Cb 0.01 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.05 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kbx n GLY 100 N 1.49 0.76 3.56 -1.39 0.00 -1.26 -4.76 105.19 103.59 2kbx n GLY 100 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2kbx n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx s ASN 101 N -2.60 5.63 0.30 1.61 6.03 -1.26 -4.65 114.94 120.00 2kbx s ASN 101 Ca 0.00 -0.74 -0.28 0.00 -1.03 0.00 0.00 52.86 50.81 2kbx s ASN 101 Cb 0.00 -2.56 -0.09 0.00 -3.03 0.00 0.00 41.25 35.57 2kbx s ASN 101 CO 0.00 -2.27 1.06 -0.69 -2.03 0.00 0.00 177.10 173.17 2kbx s VAL 102 N 8.14 3.64 0.40 3.54 1.01 -1.26 -4.54 120.40 131.33 2kbx s VAL 102 Ca 0.60 1.57 0.20 0.00 0.00 0.00 0.00 61.98 64.35 2kbx s VAL 102 Cb -0.06 -3.97 0.40 0.00 0.00 0.00 0.00 36.38 32.76 2kbx s VAL 102 CO 0.01 0.31 1.75 -0.65 0.00 0.00 0.00 175.10 176.52 2kbx h PRO 103 N 3.62 0.34 -0.18 2.72 0.11 -1.89 0.11 132.00 136.84 2kbx h PRO 103 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2kbx h PRO 103 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2kbx h PRO 103 CO 0.66 0.23 0.04 1.25 -0.21 0.00 0.00 178.00 179.97 2kbx h LEU 104 N 0.35 0.01 -0.94 2.35 5.85 -1.96 0.47 115.31 121.44 2kbx h LEU 104 Ca 0.62 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.57 2kbx h LEU 104 Cb 1.64 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.59 2kbx h LEU 104 CO -0.32 0.04 0.51 0.45 -0.34 0.00 0.00 178.44 178.78 2kbx h HIS 105 N 0.11 0.89 0.05 1.25 3.86 -1.13 -0.65 115.15 119.53 2kbx h HIS 105 Ca 0.08 0.04 -0.24 0.00 -1.16 0.00 0.00 60.37 59.09 2kbx h HIS 105 Cb 0.07 -0.25 0.02 0.00 1.06 0.00 0.00 27.41 28.32 2kbx h HIS 105 CO -0.13 0.12 -0.96 -0.92 0.86 0.00 0.00 177.93 176.90 2kbx h TYR 106 N 0.60 0.86 -0.99 2.45 5.03 -1.11 -1.92 116.97 121.89 2kbx h TYR 106 Ca 0.56 -0.51 0.16 0.00 2.58 0.00 0.00 58.73 61.53 2kbx h TYR 106 Cb 0.95 -0.08 -0.09 0.00 1.55 0.00 0.00 36.73 39.05 2kbx h TYR 106 CO -0.06 1.35 0.62 0.00 -1.32 0.00 0.00 178.16 178.75 2kbx h ALA 107 N 0.31 1.66 0.00 1.82 0.00 0.14 -0.45 119.26 122.73 2kbx h ALA 107 Ca -0.13 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2kbx h ALA 107 Cb 1.65 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2kbx h ALA 107 CO 0.19 0.03 -1.16 0.00 0.00 0.00 0.00 179.25 178.31 2kbx h PHE 109 N 0.00 0.00 0.00 0.00 3.57 -0.24 -1.94 116.94 118.33 2kbx h PHE 109 Ca -0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2kbx h PHE 109 Cb 1.68 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.42 2kbx h PHE 109 CO 0.00 0.00 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.45 2kbx h TRP 110 N 0.00 0.00 0.00 0.41 4.06 -1.50 -3.49 115.95 115.43 2kbx h TRP 110 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 2kbx h TRP 110 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2kbx h TRP 110 CO 0.00 0.70 0.00 0.41 -3.56 0.00 0.00 178.44 175.99 2kbx n GLY 111 N 1.64 0.43 2.88 1.49 0.00 -0.73 -5.12 105.19 105.79 2kbx n GLY 111 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2kbx n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kbx s GLN 112 N 0.00 1.61 0.29 1.61 2.00 -1.23 -4.96 119.66 118.98 2kbx s GLN 112 Ca 0.00 -2.21 0.04 0.00 -2.00 0.00 0.00 55.36 51.19 2kbx s GLN 112 Cb 0.00 -2.93 0.45 0.00 0.80 0.00 0.00 33.01 31.32 2kbx s GLN 112 CO 0.00 -1.08 1.73 -0.44 -0.50 0.00 0.00 175.29 174.99 2kbx h ASP 113 N 6.87 0.41 -0.02 6.67 3.32 -1.94 -3.08 116.42 128.66 2kbx h ASP 113 Ca -0.06 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.86 2kbx h ASP 113 Cb 0.93 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 2kbx h ASP 113 CO 0.59 0.69 -0.37 1.56 -1.72 0.00 0.00 179.24 179.99 2kbx h GLN 114 N 0.36 -0.43 -0.72 3.56 4.20 -1.98 0.23 115.11 120.33 2kbx h GLN 114 Ca 0.05 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.89 2kbx h GLN 114 Cb 0.68 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 2kbx h GLN 114 CO 0.05 -0.29 0.48 -0.39 -0.67 0.00 0.00 178.83 178.01 2kbx h VAL 115 N -0.45 0.93 -0.57 -0.54 -1.51 -1.96 -0.54 116.25 111.62 2kbx h VAL 115 Ca 0.01 -0.21 0.02 0.00 -1.23 0.00 0.00 66.70 65.29 2kbx h VAL 115 Cb 0.49 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 29.87 2kbx h VAL 115 CO -0.25 0.11 0.36 0.00 -1.23 0.00 0.00 177.57 176.56 2kbx h ALA 116 N 1.63 0.73 0.09 5.19 0.00 -1.01 -2.55 119.26 123.34 2kbx h ALA 116 Ca 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kbx h ALA 116 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kbx h ALA 116 CO -0.12 0.10 -0.04 1.49 0.00 0.00 0.00 179.25 180.68 2kbx h GLU 117 N 0.72 -0.12 -1.13 0.00 4.57 0.96 -2.60 114.58 116.98 2kbx h GLU 117 Ca 0.22 0.01 0.33 0.00 -1.18 0.00 0.00 59.36 58.74 2kbx h GLU 117 Cb -0.02 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.49 2kbx h GLU 117 CO -0.08 0.09 0.72 -0.44 -1.18 0.00 0.00 179.01 178.12 2kbx h ASP 118 N -0.32 0.39 0.41 1.04 3.32 -1.00 1.80 116.42 122.07 2kbx h ASP 118 Ca -0.01 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2kbx h ASP 118 Cb 0.27 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2kbx h ASP 118 CO 0.02 -0.03 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.24 2kbx h LEU 119 N 0.28 -0.47 -1.56 1.55 3.38 -1.08 -3.09 115.31 114.32 2kbx h LEU 119 Ca 0.69 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.51 2kbx h LEU 119 Cb 1.88 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2kbx h LEU 119 CO -0.38 -0.05 -0.23 -0.37 0.09 0.00 0.00 178.44 177.50 2kbx h VAL 120 N -1.01 0.95 0.00 1.22 -1.51 -0.98 -2.04 116.25 112.88 2kbx h VAL 120 Ca -0.06 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2kbx h VAL 120 Cb 0.54 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2kbx h VAL 120 CO 0.09 0.23 0.35 0.00 -1.23 0.00 0.00 177.57 177.01 2kbx h ALA 121 N 1.77 1.24 0.04 5.19 0.00 0.28 0.39 119.26 128.17 2kbx h ALA 121 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2kbx h ALA 121 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2kbx h ALA 121 CO 0.03 -0.24 -2.29 0.09 0.00 0.00 0.00 179.25 176.84 2kbx n ASN 122 N -2.07 2.02 0.00 0.00 4.13 -0.77 -4.98 115.26 113.60 2kbx n ASN 122 Ca -0.01 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2kbx n ASN 122 Cb 0.37 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kbx n GLY 123 N 2.09 -0.35 0.03 7.41 0.00 0.14 -4.97 105.19 109.53 2kbx n GLY 123 Ca -0.42 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.61 -1.96 4.61 0.00 -1.24 -4.87 120.51 117.67 2kbx n ALA 124 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2kbx n ALA 124 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.45 -5.89 0.17 0.00 7.94 -1.26 -4.51 117.00 111.99 2kbx n LEU 125 Ca -0.00 3.18 0.04 0.00 -1.11 0.00 0.00 56.01 58.12 2kbx n LEU 125 Cb 0.22 -3.13 0.23 0.00 0.53 0.00 0.00 43.42 41.27 2kbx n LEU 125 CO 0.01 -0.97 0.59 1.62 -1.11 0.00 0.00 177.39 177.53 2kbx h VAL 126 N 3.49 0.97 -0.73 1.96 3.04 -1.91 -3.08 116.25 119.99 2kbx h VAL 126 Ca 0.00 -1.83 -0.48 0.00 -1.01 0.00 0.00 66.70 63.38 2kbx h VAL 126 Cb 0.00 2.11 -0.20 0.00 -2.01 0.00 0.00 31.29 31.19 2kbx h VAL 126 CO 0.00 0.45 0.61 -0.24 -1.01 0.00 0.00 177.57 177.38 2kbx n SER 127 N -3.47 6.99 -0.11 3.17 2.88 -1.26 -4.61 113.62 117.22 2kbx n SER 127 Ca 0.00 -3.37 -0.05 0.00 -1.33 0.00 0.00 58.87 54.12 2kbx n SER 127 Cb 0.59 -1.03 0.02 0.00 -0.75 0.00 0.00 64.21 63.04 2kbx n SER 127 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2kbx h ILE 128 N 1.04 0.79 -2.43 2.46 6.09 -1.77 -3.48 117.51 120.23 2kbx h ILE 128 Ca 0.42 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 2kbx h ILE 128 Cb 0.85 0.61 0.00 0.00 0.47 0.00 0.00 36.82 38.75 2kbx h ILE 128 CO 1.11 0.03 0.00 0.00 -3.07 0.00 0.00 178.15 176.22 2kbx n ASN 130 N -0.03 0.00 0.21 0.00 2.85 -1.26 -4.60 115.26 112.43 2kbx n ASN 130 Ca 0.00 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.57 2kbx n ASN 130 Cb 0.00 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.24 2kbx n ASN 130 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2kbx h LYS 131 N 0.00 0.00 0.00 1.20 3.64 -1.85 -3.20 116.57 116.35 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 0.13 -0.09 0.98 -2.27 0.00 0.00 179.45 178.20 2kbx n TYR 132 N -3.15 0.00 -1.57 1.91 9.36 -1.26 -4.95 117.16 117.50 2kbx n TYR 132 Ca 0.03 -0.74 -0.16 0.00 3.32 0.00 0.00 57.90 60.35 2kbx n TYR 132 Cb 0.54 -0.12 -0.06 0.00 -0.63 0.00 0.00 39.34 39.07 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 -1.04 1.43 3.54 2.98 0.00 -1.21 -4.91 105.19 105.99 2kbx n GLY 133 Ca 0.11 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2kbx n GLY 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kbx s GLU 134 N -3.56 3.21 0.34 1.61 -1.05 -1.26 -4.64 118.70 113.35 2kbx s GLU 134 Ca 0.00 -0.25 0.09 0.00 -0.15 0.00 0.00 54.97 54.66 2kbx s GLU 134 Cb 0.00 -4.17 -0.05 0.00 -0.44 0.00 0.00 34.13 29.47 2kbx s GLU 134 CO 0.00 -2.07 0.04 0.00 0.95 0.00 0.00 175.26 174.17 2kbx s MET 135 N 5.51 2.14 0.46 -4.83 0.23 -1.26 -4.34 119.30 117.20 2kbx s MET 135 Ca 0.34 -1.70 0.23 0.00 -1.03 0.00 0.00 55.69 53.53 2kbx s MET 135 Cb -0.09 -1.98 1.24 0.00 -1.53 0.00 0.00 34.83 32.47 2kbx s MET 135 CO 0.16 0.14 1.85 -1.35 -2.03 0.00 0.00 175.02 173.78 2kbx h PRO 136 N 1.76 0.25 -1.06 3.16 0.11 -1.91 -0.55 132.00 133.75 2kbx h PRO 136 Ca -0.43 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 65.97 2kbx h PRO 136 Cb 1.25 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 2kbx h PRO 136 CO 0.66 0.16 0.64 0.28 -0.21 0.00 0.00 178.00 179.53 2kbx h VAL 137 N 0.25 0.40 0.00 3.15 2.07 -1.95 2.17 116.25 122.34 2kbx h VAL 137 Ca 0.47 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.78 2kbx h VAL 137 Cb 1.43 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2kbx h VAL 137 CO -0.13 0.07 -0.50 -0.78 0.02 0.00 0.00 177.57 176.25 2kbx h ASP 138 N 0.38 0.00 0.22 0.57 3.58 -1.48 -1.23 116.42 118.45 2kbx h ASP 138 Ca 0.68 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2kbx h ASP 138 Cb 1.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2kbx h ASP 138 CO -0.46 1.15 0.00 0.11 -2.88 0.00 0.00 179.24 177.16 2kbx h LYS 139 N -1.00 0.00 0.00 0.28 6.56 -1.14 -0.42 116.57 120.84 2kbx h LYS 139 Ca -0.13 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.29 2kbx h LYS 139 Cb 1.05 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.68 2kbx h LYS 139 CO -0.08 0.00 -1.95 0.00 -2.06 0.00 0.00 179.45 175.36 2kbx n ALA 140 N -1.81 2.12 1.22 3.86 0.00 0.72 -3.91 120.51 122.72 2kbx n ALA 140 Ca -0.01 -0.80 0.14 0.00 0.00 0.00 0.00 53.44 52.77 2kbx n ALA 140 Cb 0.10 -0.62 0.59 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.61 0.31 -0.07 0.00 3.00 -0.27 -2.67 118.16 115.85 2kbx n LYS 141 Ca -0.15 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.31 58.00 2kbx n LYS 141 Cb 0.84 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.33 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 3.29 0.06 -0.04 3.14 0.00 -1.40 -3.40 119.26 120.91 2kbx h ALA 142 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kbx h ALA 142 Cb 0.41 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2kbx h ALA 142 CO 0.00 0.36 -0.44 -1.35 0.00 0.00 0.00 179.25 177.83 2kbx h PRO 143 N -1.00 -0.54 0.00 0.00 0.10 -1.70 -3.46 132.00 125.40 2kbx h PRO 143 Ca -0.07 0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.06 2kbx h PRO 143 Cb 0.60 0.12 0.00 0.00 0.10 0.00 0.00 31.00 31.82 2kbx h PRO 143 CO -0.04 -0.36 0.00 1.47 0.10 0.00 0.00 178.00 179.16 2kbx n LEU 144 N -5.45 0.00 0.00 2.35 -0.00 -1.25 -5.09 117.00 107.56 2kbx n LEU 144 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2kbx n LEU 144 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2kbx n LEU 144 CO 0.14 0.00 0.33 0.54 -0.00 0.00 0.00 177.39 178.41 2kbx n ARG 145 N 0.00 0.00 0.00 1.47 3.00 -1.09 -4.73 116.66 115.31 2kbx n ARG 145 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 57.85 58.02 2kbx n ARG 145 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.29 2kbx n ARG 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kbx n GLU 146 N -1.03 0.00 0.11 5.56 -0.58 -1.25 -4.69 120.64 118.75 2kbx n GLU 146 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2kbx n GLU 146 Cb 0.00 -2.71 -0.04 0.00 -0.57 0.00 0.00 31.44 28.13 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2kbx h LEU 147 N 0.00 -0.30 -2.62 -4.62 3.38 -1.93 -2.84 115.31 106.37 2kbx h LEU 147 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kbx h LEU 147 Cb 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kbx h LEU 147 CO 0.00 0.17 -0.00 0.17 0.09 0.00 0.00 178.44 178.87 2kbx h LEU 148 N -1.07 0.00 0.02 1.67 -0.00 -1.97 -1.28 115.31 112.67 2kbx h LEU 148 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kbx h LEU 148 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2kbx h LEU 148 CO 0.06 0.00 -0.01 -0.09 -0.00 0.00 0.00 178.44 178.40 2kbx h ARG 149 N 0.00 -0.03 -0.77 0.17 2.43 -1.89 0.76 114.38 115.05 2kbx h ARG 149 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2kbx h ARG 149 Cb 0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2kbx h ARG 149 CO 0.00 0.04 0.50 0.93 -1.51 0.00 0.00 179.97 179.93 2kbx h GLU 150 N -0.09 1.02 -0.74 0.20 5.08 -1.00 0.54 114.58 119.59 2kbx h GLU 150 Ca -0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2kbx h GLU 150 Cb 0.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2kbx h GLU 150 CO 0.00 0.69 0.32 0.00 -1.00 0.00 0.00 179.01 179.02 2kbx h ARG 151 N 1.05 1.08 0.43 2.33 2.47 -0.99 -0.65 114.38 120.10 2kbx h ARG 151 Ca 0.28 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 2kbx h ARG 151 Cb -0.10 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.03 2kbx h ARG 151 CO -0.06 0.86 -0.21 0.00 0.56 0.00 0.00 179.97 181.13 2kbx h ALA 152 N 1.28 -0.58 -1.02 0.04 0.00 0.18 -2.13 119.26 117.04 2kbx h ALA 152 Ca 0.25 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.23 2kbx h ALA 152 Cb 0.17 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2kbx h ALA 152 CO -0.03 -0.70 0.62 0.93 0.00 0.00 0.00 179.25 180.07 2kbx h GLU 153 N -0.82 0.51 0.00 0.00 3.07 0.35 1.48 114.58 119.17 2kbx h GLU 153 Ca -0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2kbx h GLU 153 Cb 0.55 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2kbx h GLU 153 CO 0.10 0.34 0.00 1.17 -1.40 0.00 0.00 179.01 179.22 2kbx n LYS 154 N -4.79 0.68 0.15 2.33 4.81 -0.28 -2.93 118.16 118.13 2kbx n LYS 154 Ca 0.26 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.83 2kbx n LYS 154 Cb 0.78 -1.50 0.53 0.00 0.02 0.00 0.00 35.03 34.87 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 -1.15 0.19 0.00 1.64 1.56 0.50 -4.78 117.12 115.08 2kbx n MET 155 Ca 0.18 0.50 0.00 0.00 -0.27 0.00 0.00 57.70 58.11 2kbx n MET 155 Cb 0.17 -1.92 0.00 0.00 2.15 0.00 0.00 33.22 33.63 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 -0.40 1.34 0.08 -5.12 0.00 -1.19 -5.02 105.19 94.89 2kbx n GLY 156 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2kbx n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kbx h GLN 157 N 1.36 0.00 0.08 1.61 4.20 -1.76 -3.38 115.11 117.22 2kbx h GLN 157 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 2kbx h GLN 157 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2kbx h GLN 157 CO 0.00 0.55 -2.00 -1.71 -0.67 0.00 0.00 178.83 174.99 2kbx n ASN 158 N -4.56 2.05 -4.01 1.46 2.85 -1.23 -4.45 115.26 107.37 2kbx n ASN 158 Ca -0.17 0.19 -0.43 0.00 -0.11 0.00 0.00 54.58 54.06 2kbx n ASN 158 Cb 0.43 -0.80 0.01 0.00 1.24 0.00 0.00 39.78 40.66 2kbx n ASN 158 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kbx n LEU 159 N -3.63 6.34 -4.38 1.20 4.77 -1.15 -4.95 117.00 115.20 2kbx n LEU 159 Ca -0.36 -4.80 -0.41 0.00 -0.03 0.00 0.00 56.01 50.42 2kbx n LEU 159 Cb 0.97 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 2kbx n LEU 159 CO 0.34 1.38 -0.15 0.54 -1.33 0.00 0.00 177.39 178.17 2kbx s ASN 160 N 0.45 5.77 0.87 -1.43 4.22 -1.26 -4.44 114.94 119.12 2kbx s ASN 160 Ca 0.37 -1.00 -0.13 0.00 -2.14 0.00 0.00 52.86 49.96 2kbx s ASN 160 Cb 0.06 -2.04 0.06 0.00 1.28 0.00 0.00 41.25 40.61 2kbx s ASN 160 CO 0.03 -0.40 0.80 0.54 -2.04 0.00 0.00 177.10 176.03 2kbx n ARG 161 N 5.01 -0.12 -1.60 3.55 3.00 -1.26 -4.75 116.66 120.48 2kbx n ARG 161 Ca -0.12 0.03 -0.44 0.00 -0.01 0.00 0.00 57.85 57.31 2kbx n ARG 161 Cb 0.46 -2.12 -0.03 0.00 0.00 0.00 0.00 32.46 30.76 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 -3.50 0.44 -1.72 0.55 3.06 -1.26 -4.90 119.36 112.03 2kbx n ILE 162 Ca 0.10 -0.36 -0.38 0.00 -2.50 0.00 0.00 62.75 59.61 2kbx n ILE 162 Cb 0.52 -2.40 0.05 0.00 0.54 0.00 0.00 39.64 38.35 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 2kbx n PRO 163 N 8.33 1.50 0.00 9.51 -0.02 -1.26 -4.84 135.00 148.21 2kbx n PRO 163 Ca 0.28 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2kbx n PRO 163 Cb 0.41 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2kbx n PRO 163 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2kbx n TYR 164 N -1.22 0.00 0.00 6.00 0.18 -1.26 -4.58 117.16 116.28 2kbx n TYR 164 Ca 0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.90 2kbx n TYR 164 Cb 0.45 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 2kbx n TYR 164 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2kbx n LYS 165 N -0.12 0.00 0.00 -3.48 4.76 -1.26 -4.99 118.16 113.07 2kbx n LYS 165 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kbx n LYS 165 Cb 0.16 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 2kbx n LYS 165 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kbx n ASP 166 N 0.00 0.00 -0.75 4.39 8.00 -1.26 -3.02 116.55 123.91 2kbx n ASP 166 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2kbx n ASP 166 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 -3.75 -3.53 -1.04 -1.26 -5.06 114.28 99.64 2kbx n THR 167 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2kbx n THR 167 Cb 0.00 0.26 -0.11 0.00 -1.82 0.00 0.00 70.33 68.67 2kbx n THR 167 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kbx s PHE 168 N 0.00 3.50 0.00 -1.42 0.08 -1.17 -4.61 117.98 114.37 2kbx s PHE 168 Ca 0.00 -2.55 0.00 0.00 0.12 0.00 0.00 56.93 54.50 2kbx s PHE 168 Cb 0.00 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 2kbx s PHE 168 CO 0.00 -0.91 0.00 0.91 -0.10 0.00 0.00 175.22 175.12 2kbx n TRP 169 N 4.09 0.00 -2.23 0.36 7.02 -1.26 -4.88 117.44 120.54 2kbx n TRP 169 Ca 0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.53 2kbx n TRP 169 Cb 0.40 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.32 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 -0.23 0.16 0.00 -0.99 5.02 -1.26 -5.27 118.16 115.58 2kbx n LYS 170 Ca 0.00 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 2kbx n LYS 170 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29