#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 -1.07 0.00 6.12 9.92 -1.26 -4.99 116.55 125.27 2kbx n ASP 2 Ca 0.00 -3.34 0.00 0.00 -0.53 0.00 0.00 54.79 50.92 2kbx n ASP 2 Cb 0.00 0.90 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kbx n ASP 3 N 0.25 0.00 0.18 -2.24 8.00 -1.26 -1.89 116.55 119.59 2kbx n ASP 3 Ca 0.12 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.66 2kbx n ASP 3 Cb 0.70 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 42.14 2kbx n ASP 3 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2kbx h ILE 4 N 0.00 1.08 -0.75 0.53 -0.00 -2.00 -2.83 117.51 113.54 2kbx h ILE 4 Ca 0.00 -1.53 0.12 0.00 -0.00 0.00 0.00 64.86 63.45 2kbx h ILE 4 Cb 0.00 1.88 -0.08 0.00 -0.00 0.00 0.00 36.82 38.61 2kbx h ILE 4 CO 0.00 0.40 0.35 -0.26 -0.00 0.00 0.00 178.15 178.64 2kbx h PHE 5 N 0.00 0.61 0.01 2.19 0.04 -1.82 0.37 116.94 118.34 2kbx h PHE 5 Ca -0.00 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2kbx h PHE 5 Cb 0.84 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.84 2kbx h PHE 5 CO 0.00 0.16 -0.26 0.00 -0.60 0.00 0.00 178.31 177.60 2kbx h THR 6 N 0.54 1.58 0.00 -1.55 1.03 -1.30 -3.00 112.91 110.21 2kbx h THR 6 Ca 0.39 -2.07 0.00 0.00 -0.01 0.00 0.00 66.41 64.73 2kbx h THR 6 Cb 0.51 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 70.51 2kbx h THR 6 CO -0.34 0.56 0.00 0.00 -0.01 0.00 0.00 175.52 175.74 2kbx n GLN 7 N -4.49 0.00 -0.07 0.00 6.02 -0.95 -1.28 117.38 116.61 2kbx n GLN 7 Ca -0.10 0.35 -0.05 0.00 -0.01 0.00 0.00 57.00 57.19 2kbx n GLN 7 Cb 0.53 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 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 -4.56 0.22 0.00 0.00 -4.01 -1.05 -2.57 116.66 104.69 2kbx n ARG 9 Ca -0.08 0.14 0.04 0.00 -1.04 0.00 0.00 57.85 56.91 2kbx n ARG 9 Cb 0.28 -1.50 0.22 0.00 -3.04 0.00 0.00 32.46 28.42 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 -1.23 0.23 -0.06 2.89 -0.58 -0.40 -4.67 120.64 116.82 2kbx n GLU 10 Ca 0.06 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2kbx n GLU 10 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 -0.54 0.97 2.33 0.62 0.00 -1.06 -4.96 105.19 102.54 2kbx n GLY 11 Ca 0.05 0.00 -0.35 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 8.01 0.04 1.61 5.03 -1.09 -4.66 115.26 124.21 2kbx n ASN 12 Ca 0.00 -2.75 0.16 0.00 0.87 0.00 0.00 54.58 52.85 2kbx n ASN 12 Cb 0.00 -1.47 0.27 0.00 -1.02 0.00 0.00 39.78 37.56 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 4.52 2.50 0.10 5.41 0.00 -1.92 2.58 119.26 132.46 2kbx h ALA 13 Ca 0.72 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 55.35 2kbx h ALA 13 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kbx h ALA 13 CO 1.46 -1.37 -1.16 -0.39 0.00 0.00 0.00 179.25 177.78 2kbx h VAL 14 N 0.00 1.49 -0.19 0.00 -1.51 -1.94 -2.83 116.25 111.27 2kbx h VAL 14 Ca 0.26 -2.94 -0.16 0.00 -1.23 0.00 0.00 66.70 62.64 2kbx h VAL 14 Cb 2.43 2.83 -0.01 0.00 -2.13 0.00 0.00 31.29 34.41 2kbx h VAL 14 CO -0.00 0.86 -0.54 0.00 -1.23 0.00 0.00 177.57 176.66 2kbx h ALA 15 N 0.64 0.71 -0.13 5.19 0.00 0.42 -0.20 119.26 125.88 2kbx h ALA 15 Ca -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2kbx h ALA 15 Cb 1.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2kbx h ALA 15 CO 0.19 0.69 0.05 -0.39 0.00 0.00 0.00 179.25 179.79 2kbx h VAL 16 N 0.42 1.14 -0.64 0.00 -1.51 -1.50 -2.47 116.25 111.70 2kbx h VAL 16 Ca 0.01 -0.42 0.04 0.00 -1.23 0.00 0.00 66.70 65.09 2kbx h VAL 16 Cb 1.08 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 2kbx h VAL 16 CO 0.10 0.13 0.39 -0.09 -1.23 0.00 0.00 177.57 176.87 2kbx h ARG 17 N 0.06 0.72 -0.33 5.19 2.43 -1.29 -1.95 114.38 119.22 2kbx h ARG 17 Ca 0.04 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2kbx h ARG 17 Cb 0.16 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2kbx h ARG 17 CO -0.00 0.48 -0.31 1.25 -1.51 0.00 0.00 179.97 179.88 2kbx h LEU 18 N 0.75 -1.07 -0.91 3.80 5.85 -0.55 0.60 115.31 123.77 2kbx h LEU 18 Ca 0.27 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 2kbx h LEU 18 Cb 0.06 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2kbx h LEU 18 CO -0.12 -0.19 -0.17 4.11 -0.34 0.00 0.00 178.44 181.73 2kbx h TRP 19 N -0.14 0.00 0.00 1.25 5.08 -1.47 -2.81 115.95 117.86 2kbx h TRP 19 Ca 0.05 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.98 2kbx h TRP 19 Cb 0.29 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 2kbx h TRP 19 CO -0.78 0.17 -0.21 1.25 -1.28 0.00 0.00 178.44 177.59 2kbx h LEU 20 N 0.00 0.00 -3.07 0.11 6.46 -0.30 -2.84 115.31 115.67 2kbx h LEU 20 Ca -0.00 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.56 2kbx h LEU 20 Cb 0.80 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.63 2kbx h LEU 20 CO 0.02 0.21 0.26 -0.90 -0.62 0.00 0.00 178.44 177.41 2kbx n ASP 21 N -3.73 5.03 -4.65 1.25 5.68 0.04 -4.75 116.55 115.42 2kbx n ASP 21 Ca -0.01 -2.73 -0.38 0.00 -0.50 0.00 0.00 54.79 51.16 2kbx n ASP 21 Cb 0.33 -0.90 -0.08 0.00 -1.14 0.00 0.00 41.12 39.32 2kbx n ASP 21 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kbx s ASN 22 N 0.58 6.38 0.16 -1.12 6.03 -1.07 -4.91 114.94 120.98 2kbx s ASN 22 Ca 0.20 0.44 0.04 0.00 -1.03 0.00 0.00 52.86 52.51 2kbx s ASN 22 Cb 0.16 -2.22 0.21 0.00 -3.03 0.00 0.00 41.25 36.36 2kbx s ASN 22 CO 0.01 -0.11 0.87 0.35 -2.03 0.00 0.00 177.10 176.20 2kbx n THR 23 N 4.56 0.55 -0.01 0.54 -2.24 -1.26 0.20 114.28 116.62 2kbx n THR 23 Ca -0.08 0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 62.26 2kbx n THR 23 Cb 0.51 -1.62 -0.12 0.00 -2.10 0.00 0.00 70.33 67.00 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 -1.54 0.63 -3.82 -0.78 -0.58 -1.26 -5.00 120.64 108.29 2kbx n GLU 24 Ca -0.00 0.25 -0.29 0.00 -0.42 0.00 0.00 57.16 56.70 2kbx n GLU 24 Cb 0.40 -1.78 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kbx n ASN 25 N -2.97 -4.84 -0.20 1.62 5.03 0.52 -4.85 115.26 109.57 2kbx n ASN 25 Ca -0.15 -1.00 0.02 0.00 0.87 0.00 0.00 54.58 54.32 2kbx n ASN 25 Cb 0.98 -1.88 0.03 0.00 -1.02 0.00 0.00 39.78 37.89 2kbx n ASN 25 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kbx n ASP 26 N -2.49 1.55 0.00 6.41 2.03 -1.26 -4.63 116.55 118.16 2kbx n ASP 26 Ca -0.25 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 53.73 2kbx n ASP 26 Cb 0.65 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2kbx n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbx n LEU 27 N 0.21 0.00 0.00 -2.67 -0.00 -1.26 -0.65 117.00 112.62 2kbx n LEU 27 Ca 0.03 0.17 0.08 0.00 -0.00 0.00 0.00 56.01 56.29 2kbx n LEU 27 Cb 0.15 -0.17 0.46 0.00 -0.00 0.00 0.00 43.42 43.85 2kbx n LEU 27 CO 0.03 -0.17 0.67 0.59 -0.00 0.00 0.00 177.39 178.50 2kbx n ASN 28 N -1.10 0.00 -4.60 1.45 4.13 -1.26 -4.80 115.26 109.07 2kbx n ASN 28 Ca 0.00 -0.62 -0.44 0.00 1.68 0.00 0.00 54.58 55.21 2kbx n ASN 28 Cb 0.19 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.42 2kbx n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kbx n GLN 29 N -0.94 1.44 0.00 3.52 10.64 0.17 -4.69 117.38 127.52 2kbx n GLN 29 Ca 0.12 0.51 0.00 0.00 -1.83 0.00 0.00 57.00 55.79 2kbx n GLN 29 Cb 0.05 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 27.51 2kbx n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kbx n GLY 30 N 1.17 2.28 3.39 2.61 0.00 -1.26 -4.18 105.19 109.19 2kbx n GLY 30 Ca 0.09 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2kbx n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kbx s ASP 31 N 1.00 2.13 0.47 1.61 -4.77 0.45 -4.87 116.67 112.69 2kbx s ASP 31 Ca 0.00 -1.70 0.26 0.00 -3.30 0.00 0.00 52.55 47.81 2kbx s ASP 31 Cb 0.00 0.53 0.99 0.00 -1.09 0.00 0.00 42.92 43.35 2kbx s ASP 31 CO 0.00 -0.99 1.85 -2.24 0.70 0.00 0.00 175.17 174.48 2kbx h ASP 32 N 1.99 0.00 0.30 2.11 2.03 -2.03 -2.67 116.42 118.16 2kbx h ASP 32 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2kbx h ASP 32 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2kbx h ASP 32 CO 0.47 0.15 -0.34 1.41 -1.03 0.00 0.00 179.24 179.90 2kbx n HIS 33 N -3.28 0.00 0.00 4.15 8.25 -1.26 -4.93 115.22 118.15 2kbx n HIS 33 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kbx n HIS 33 Cb 0.41 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 1.39 1.13 3.72 -1.41 0.00 -1.00 -4.32 105.19 104.69 2kbx n GLY 34 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.66 0.45 1.61 0.08 -1.26 -4.75 117.98 115.77 2kbx s PHE 35 Ca 0.00 1.55 0.07 0.00 0.12 0.00 0.00 56.93 58.67 2kbx s PHE 35 Cb 0.00 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.45 2kbx s PHE 35 CO 0.00 0.07 0.27 -1.12 -0.10 0.00 0.00 175.22 174.35 2kbx s SER 36 N 0.72 4.60 0.14 1.36 0.01 -1.26 -0.41 113.70 118.87 2kbx s SER 36 Ca 0.46 -1.07 -0.14 0.00 1.31 0.00 0.00 55.95 56.50 2kbx s SER 36 Cb -0.20 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.82 2kbx s SER 36 CO 0.25 -0.73 1.66 1.55 0.41 0.00 0.00 173.24 176.38 2kbx h PRO 37 N 1.16 0.71 -0.93 12.44 0.13 -1.84 -2.32 132.00 141.35 2kbx h PRO 37 Ca -0.41 -0.16 0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2kbx h PRO 37 Cb 1.27 -0.10 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2kbx h PRO 37 CO 0.64 0.69 0.54 1.25 -0.23 0.00 0.00 178.00 180.88 2kbx h LEU 38 N 0.60 0.71 0.16 1.56 6.46 -1.95 0.24 115.31 123.08 2kbx h LEU 38 Ca 0.15 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2kbx h LEU 38 Cb 0.28 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2kbx h LEU 38 CO -0.00 0.32 -0.13 0.45 -0.62 0.00 0.00 178.44 178.46 2kbx h HIS 39 N 0.77 -0.35 -0.63 1.25 3.86 -1.82 0.72 115.15 118.96 2kbx h HIS 39 Ca 0.50 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.84 2kbx h HIS 39 Cb 0.65 0.13 -0.11 0.00 1.06 0.00 0.00 27.41 29.15 2kbx h HIS 39 CO -0.04 -0.18 -0.01 -1.49 0.86 0.00 0.00 177.93 177.07 2kbx h TRP 40 N -0.28 -0.06 -0.07 2.45 4.06 -1.19 -1.36 115.95 119.50 2kbx h TRP 40 Ca -0.02 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2kbx h TRP 40 Cb 0.23 0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 2kbx h TRP 40 CO -0.05 -0.18 0.04 0.00 -3.56 0.00 0.00 178.44 174.70 2kbx h ALA 41 N 1.57 0.09 -0.68 1.49 0.00 -0.26 0.48 119.26 121.95 2kbx h ALA 41 Ca 0.33 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.38 2kbx h ALA 41 Cb 0.53 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 2kbx h ALA 41 CO -0.54 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 178.29 2kbx h ARG 43 N 0.12 0.00 0.19 0.00 -0.00 -1.26 -3.37 114.38 110.05 2kbx h ARG 43 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.34 2kbx h ARG 43 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.54 2kbx h ARG 43 CO -0.58 0.15 -0.42 1.49 -0.00 0.00 0.00 179.97 180.61 2kbx h GLU 44 N 0.00 -0.64 0.00 0.08 4.57 0.16 -3.47 114.58 115.28 2kbx h GLU 44 Ca -0.03 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2kbx h GLU 44 Cb 1.19 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2kbx h GLU 44 CO 0.02 -0.43 0.00 0.41 -1.18 0.00 0.00 179.01 177.84 2kbx n GLY 45 N -1.40 0.46 2.78 1.92 0.00 -1.12 -5.04 105.19 102.78 2kbx n GLY 45 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2kbx n GLY 45 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kbx n ARG 46 N 0.00 3.99 -0.55 1.61 1.85 -1.26 -4.78 116.66 117.51 2kbx n ARG 46 Ca 0.00 -3.64 0.46 0.00 -1.00 0.00 0.00 57.85 53.67 2kbx n ARG 46 Cb 0.00 -2.80 0.79 0.00 -1.05 0.00 0.00 32.46 29.40 2kbx n ARG 46 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2kbx h SER 47 N 5.40 0.00 0.00 2.89 0.87 -1.95 -2.65 113.55 118.11 2kbx h SER 47 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2kbx h SER 47 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kbx h SER 47 CO 1.56 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.86 2kbx n ALA 48 N -2.84 0.00 -0.32 6.23 0.00 -1.26 0.11 120.51 122.42 2kbx n ALA 48 Ca 0.37 0.00 0.23 0.00 0.00 0.00 0.00 53.44 54.04 2kbx n ALA 48 Cb 1.73 0.06 0.45 0.00 0.00 0.00 0.00 19.45 21.69 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 0.15 -0.42 0.00 -1.51 -1.86 0.22 116.25 112.82 2kbx h VAL 49 Ca 0.00 -0.05 -0.11 0.00 -1.23 0.00 0.00 66.70 65.32 2kbx h VAL 49 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 2kbx h VAL 49 CO 0.00 0.02 -0.15 1.62 -1.23 0.00 0.00 177.57 177.83 2kbx h VAL 50 N 0.14 1.28 -0.29 7.19 3.04 -1.39 -1.98 116.25 124.23 2kbx h VAL 50 Ca 0.72 -1.28 0.07 0.00 -1.01 0.00 0.00 66.70 65.20 2kbx h VAL 50 Cb 1.70 1.22 -0.07 0.00 -2.01 0.00 0.00 31.29 32.12 2kbx h VAL 50 CO -0.73 0.43 -0.21 -0.08 -1.01 0.00 0.00 177.57 175.98 2kbx h GLU 51 N 0.67 -0.17 0.00 4.17 4.22 0.41 0.15 114.58 124.02 2kbx h GLU 51 Ca 0.10 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.50 2kbx h GLU 51 Cb 0.70 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2kbx h GLU 51 CO 0.05 -0.12 -0.25 0.52 -2.18 0.00 0.00 179.01 177.04 2kbx h MET 52 N -0.18 0.00 -0.20 1.92 2.86 -1.42 -2.80 114.93 115.11 2kbx h MET 52 Ca 0.16 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.60 2kbx h MET 52 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2kbx h MET 52 CO -0.40 0.25 -0.67 1.25 1.06 0.00 0.00 176.91 178.39 2kbx h LEU 53 N 0.00 0.88 -1.27 1.22 7.12 -0.15 -1.82 115.31 121.28 2kbx h LEU 53 Ca -0.00 -0.53 0.25 0.00 0.13 0.00 0.00 57.88 57.73 2kbx h LEU 53 Cb 0.64 -0.26 -0.10 0.00 -0.53 0.00 0.00 40.66 40.42 2kbx h LEU 53 CO 0.03 1.31 0.65 0.40 -0.13 0.00 0.00 178.44 180.70 2kbx h ILE 54 N 0.55 0.55 0.00 4.05 1.08 -0.53 0.47 117.51 123.67 2kbx h ILE 54 Ca -0.02 -0.16 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 2kbx h ILE 54 Cb 1.28 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2kbx h ILE 54 CO 0.14 0.08 -1.43 0.23 -0.69 0.00 0.00 178.15 176.48 2kbx n MET 55 N -4.68 0.63 -0.32 2.37 2.81 -1.16 -3.58 117.12 113.18 2kbx n MET 55 Ca 0.25 0.11 0.06 0.00 -1.81 0.00 0.00 57.70 56.31 2kbx n MET 55 Cb 0.82 -1.75 0.25 0.00 -0.71 0.00 0.00 33.22 31.82 2kbx n MET 55 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2kbx h ARG 56 N 0.00 0.97 0.00 0.03 9.65 -0.01 -3.43 114.38 121.59 2kbx h ARG 56 Ca -0.11 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2kbx h ARG 56 Cb 1.34 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2kbx h ARG 56 CO 0.02 0.64 0.00 0.41 2.80 0.00 0.00 179.97 183.84 2kbx n GLY 57 N -1.39 0.00 3.47 2.80 0.00 -1.10 -5.10 105.19 103.88 2kbx n GLY 57 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2kbx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx n ALA 58 N 0.00 -2.24 -2.64 4.61 0.00 -1.18 -4.93 120.51 114.12 2kbx n ALA 58 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 2kbx n ALA 58 Cb 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 2kbx n ALA 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kbx s ARG 59 N -3.90 3.08 0.00 0.00 3.03 -1.26 -4.89 118.95 115.01 2kbx s ARG 59 Ca 0.60 -0.91 0.07 0.00 2.03 0.00 0.00 55.73 57.52 2kbx s ARG 59 Cb -0.21 -4.04 0.36 0.00 -1.03 0.00 0.00 34.95 30.02 2kbx s ARG 59 CO 0.65 -1.00 1.10 -0.89 -1.13 0.00 0.00 175.30 174.03 2kbx n ILE 60 N 5.45 0.94 -2.64 4.99 2.08 -1.26 -2.51 119.36 126.40 2kbx n ILE 60 Ca -0.08 0.23 -0.22 0.00 0.56 0.00 0.00 62.75 63.24 2kbx n ILE 60 Cb 0.46 -1.12 -0.00 0.00 -0.75 0.00 0.00 39.64 38.23 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 -1.31 3.67 -4.60 4.38 5.03 -1.26 -5.05 115.26 116.12 2kbx n ASN 61 Ca 0.03 -3.44 -0.34 0.00 0.87 0.00 0.00 54.58 51.70 2kbx n ASN 61 Cb 0.06 -0.50 -0.10 0.00 -1.02 0.00 0.00 39.78 38.21 2kbx n ASN 61 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kbx s VAL 62 N -4.61 4.47 0.05 2.41 0.11 -1.04 -5.10 120.40 116.69 2kbx s VAL 62 Ca 0.43 -0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.27 2kbx s VAL 62 Cb 0.39 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 2kbx s VAL 62 CO -0.12 0.49 0.10 0.00 -3.33 0.00 0.00 175.10 172.24 2kbx s MET 63 N 0.19 0.64 0.49 1.54 0.23 -1.26 -4.13 119.30 117.00 2kbx s MET 63 Ca 0.02 -0.84 -0.17 0.00 -1.03 0.00 0.00 55.69 53.67 2kbx s MET 63 Cb -0.13 0.25 -0.08 0.00 -1.53 0.00 0.00 34.83 33.34 2kbx s MET 63 CO 0.01 -0.16 0.96 1.21 -2.03 0.00 0.00 175.02 175.01 2kbx s ASN 64 N -2.35 6.65 0.59 -1.18 2.47 -0.95 -4.78 114.94 115.40 2kbx s ASN 64 Ca -0.02 1.54 0.30 0.00 0.42 0.00 0.00 52.86 55.10 2kbx s ASN 64 Cb 0.01 -2.50 1.36 0.00 -1.45 0.00 0.00 41.25 38.68 2kbx s ASN 64 CO -0.06 -0.54 1.73 0.08 -3.72 0.00 0.00 177.10 174.59 2kbx h ARG 65 N 1.08 0.00 -1.52 0.43 -0.00 -1.89 0.30 114.38 112.79 2kbx h ARG 65 Ca -0.47 0.00 -0.58 0.00 -0.00 0.00 0.00 59.98 58.93 2kbx h ARG 65 Cb 1.18 0.00 -0.23 0.00 -0.00 0.00 0.00 29.97 30.93 2kbx h ARG 65 CO 0.62 0.00 0.72 0.41 -0.00 0.00 0.00 179.97 181.72 2kbx n GLY 66 N -1.60 5.10 3.06 0.08 0.00 -1.26 -4.92 105.19 105.65 2kbx n GLY 66 Ca 0.15 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.22 -6.70 -3.27 1.61 -0.08 0.11 -4.99 116.55 103.01 2kbx n ASP 67 Ca 0.51 0.72 -0.06 0.00 -1.51 0.00 0.00 54.79 54.44 2kbx n ASP 67 Cb 0.53 -2.36 -0.04 0.00 2.34 0.00 0.00 41.12 41.58 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 -0.91 -0.26 0.55 1.67 -1.08 -1.24 -4.81 116.67 110.60 2kbx s ASP 68 Ca -0.01 -0.80 -0.14 0.00 -0.52 0.00 0.00 52.55 51.07 2kbx s ASP 68 Cb 0.00 1.34 -0.07 0.00 -1.46 0.00 0.00 42.92 42.74 2kbx s ASP 68 CO 0.17 -0.26 0.99 0.42 0.52 0.00 0.00 175.17 177.01 2kbx s THR 69 N 2.02 4.60 0.33 1.71 -4.23 -1.26 -2.24 115.64 116.57 2kbx s THR 69 Ca 0.14 1.08 0.08 0.00 -1.18 0.00 0.00 61.69 61.81 2kbx s THR 69 Cb -0.10 -3.77 0.32 0.00 1.34 0.00 0.00 72.50 70.28 2kbx s THR 69 CO -0.14 -0.84 1.81 -0.65 -0.54 0.00 0.00 174.62 174.25 2kbx h PRO 70 N 0.50 0.69 -0.27 3.99 0.10 -1.98 -1.33 132.00 133.70 2kbx h PRO 70 Ca -0.46 -0.04 0.06 0.00 0.10 0.00 0.00 66.00 65.66 2kbx h PRO 70 Cb 1.19 -0.16 -0.07 0.00 0.10 0.00 0.00 31.00 32.06 2kbx h PRO 70 CO 0.62 0.46 -0.19 1.25 0.10 0.00 0.00 178.00 180.23 2kbx h LEU 71 N 0.71 -0.63 0.04 2.35 5.85 -1.91 1.74 115.31 123.46 2kbx h LEU 71 Ca 0.54 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.39 2kbx h LEU 71 Cb 0.90 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2kbx h LEU 71 CO -0.31 -0.23 -0.08 0.45 -0.34 0.00 0.00 178.44 177.93 2kbx h HIS 72 N -0.18 -0.23 -0.50 1.25 3.86 -1.62 1.37 115.15 119.11 2kbx h HIS 72 Ca 0.15 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.46 2kbx h HIS 72 Cb 0.40 0.09 -0.10 0.00 1.06 0.00 0.00 27.41 28.86 2kbx h HIS 72 CO -0.37 -0.10 -0.26 -0.07 0.86 0.00 0.00 177.93 178.00 2kbx h LEU 73 N -0.13 -0.89 0.03 2.43 3.38 -1.18 1.97 115.31 120.92 2kbx h LEU 73 Ca -0.00 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2kbx h LEU 73 Cb 0.12 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2kbx h LEU 73 CO -0.03 -0.27 -0.14 0.00 0.09 0.00 0.00 178.44 178.09 2kbx h ALA 74 N 1.11 -0.19 0.00 1.53 0.00 0.30 -1.35 119.26 120.65 2kbx h ALA 74 Ca 0.22 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2kbx h ALA 74 Cb 0.50 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2kbx h ALA 74 CO -0.58 -0.64 -0.22 0.00 0.00 0.00 0.00 179.25 177.81 2kbx h ALA 75 N 0.68 1.15 -0.19 0.00 0.00 0.31 -3.02 119.26 118.17 2kbx h ALA 75 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2kbx h ALA 75 Cb 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2kbx h ALA 75 CO -0.11 0.27 -0.05 0.77 0.00 0.00 0.00 179.25 180.13 2kbx h SER 76 N 0.00 -0.19 0.14 0.00 0.02 0.42 -2.60 113.55 111.35 2kbx h SER 76 Ca -0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2kbx h SER 76 Cb 0.59 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2kbx h SER 76 CO 0.03 -0.07 -0.07 -0.74 -1.14 0.00 0.00 176.83 174.84 2kbx h HIS 77 N -0.00 -0.18 0.00 3.45 6.17 -1.38 -3.44 115.15 119.76 2kbx h HIS 77 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.17 2kbx h HIS 77 Cb 0.15 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.14 2kbx h HIS 77 CO -0.22 -0.03 0.00 0.41 0.71 0.00 0.00 177.93 178.81 2kbx n GLY 78 N -0.91 0.99 3.38 5.26 0.00 -0.98 -5.06 105.19 107.87 2kbx n GLY 78 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.97 3.05 0.31 1.61 3.76 -1.26 -4.91 115.29 115.89 2kbx s HIS 79 Ca 0.00 -1.07 0.09 0.00 -0.15 0.00 0.00 55.06 53.92 2kbx s HIS 79 Cb 0.00 -4.05 0.93 0.00 1.11 0.00 0.00 32.58 30.57 2kbx s HIS 79 CO 0.00 -1.32 1.48 0.54 -0.85 0.00 0.00 174.74 174.60 2kbx n ARG 80 N 6.25 -0.07 0.51 1.40 5.12 -1.26 -0.98 116.66 127.63 2kbx n ARG 80 Ca -0.03 1.37 -0.20 0.00 -1.93 0.00 0.00 57.85 57.06 2kbx n ARG 80 Cb 0.44 -2.28 -0.10 0.00 -1.16 0.00 0.00 32.46 29.36 2kbx n ARG 80 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2kbx h ASP 81 N 0.00 -1.10 -0.81 0.55 5.19 -2.00 -1.80 116.42 116.45 2kbx h ASP 81 Ca 0.66 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 57.19 2kbx h ASP 81 Cb 1.54 0.28 -0.07 0.00 0.18 0.00 0.00 39.33 41.27 2kbx h ASP 81 CO -0.83 -0.77 0.47 0.40 -3.12 0.00 0.00 179.24 175.40 2kbx h ILE 82 N -1.33 0.95 0.02 0.35 2.04 -1.45 -1.74 117.51 116.35 2kbx h ILE 82 Ca -0.13 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2kbx h ILE 82 Cb 0.99 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2kbx h ILE 82 CO 0.22 0.15 -0.09 0.58 0.00 0.00 0.00 178.15 179.01 2kbx h VAL 83 N 0.82 0.00 -1.00 1.67 2.07 -0.89 0.42 116.25 119.34 2kbx h VAL 83 Ca 0.38 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.18 2kbx h VAL 83 Cb 0.29 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.92 2kbx h VAL 83 CO -0.22 0.00 0.58 1.56 0.02 0.00 0.00 177.57 179.52 2kbx h GLN 84 N -0.12 0.45 -0.26 1.57 1.08 -1.05 2.32 115.11 119.10 2kbx h GLN 84 Ca -0.00 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 56.98 2kbx h GLN 84 Cb 0.12 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2kbx h GLN 84 CO -0.05 0.30 -0.58 0.87 -0.95 0.00 0.00 178.83 178.43 2kbx h LYS 85 N 0.47 0.83 0.00 1.46 1.57 -0.39 -1.96 116.57 118.54 2kbx h LYS 85 Ca 0.69 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kbx h LYS 85 Cb 1.43 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 2kbx h LYS 85 CO -0.53 1.17 -1.15 1.28 -0.57 0.00 0.00 179.45 179.65 2kbx n LEU 86 N -3.99 0.73 0.16 2.94 4.77 0.14 -3.47 117.00 118.27 2kbx n LEU 86 Ca -0.05 0.28 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2kbx n LEU 86 Cb 0.64 -0.05 0.19 0.00 -2.33 0.00 0.00 43.42 41.88 2kbx n LEU 86 CO 0.50 -0.16 0.64 0.25 -1.33 0.00 0.00 177.39 177.29 2kbx h LEU 87 N 0.00 0.00 0.00 2.23 6.46 0.38 -2.89 115.31 121.49 2kbx h LEU 87 Ca -0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2kbx h LEU 87 Cb 1.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 2kbx h LEU 87 CO 0.00 0.01 -1.30 0.00 -0.62 0.00 0.00 178.44 176.53 2kbx n GLN 88 N -2.73 0.32 -0.06 1.25 6.02 -0.74 -2.66 117.38 118.79 2kbx n GLN 88 Ca 0.04 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 56.82 2kbx n GLN 88 Cb 0.50 -1.55 -0.14 0.00 1.02 0.00 0.00 30.24 30.07 2kbx n GLN 88 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kbx n TYR 89 N -1.93 0.64 -0.06 1.08 4.02 -1.23 -4.66 117.16 115.03 2kbx n TYR 89 Ca 0.01 0.17 -0.07 0.00 -0.01 0.00 0.00 57.90 58.00 2kbx n TYR 89 Cb 0.45 -1.10 -0.06 0.00 -0.02 0.00 0.00 39.34 38.61 2kbx n TYR 89 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2kbx n LYS 90 N -3.17 0.82 -4.01 -0.72 5.02 -1.09 -5.00 118.16 110.01 2kbx n LYS 90 Ca -0.32 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.71 2kbx n LYS 90 Cb 1.06 -1.24 0.01 0.00 -0.02 0.00 0.00 35.03 34.84 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kbx n ALA 91 N -2.73 -1.32 -0.53 7.82 0.00 -1.09 -4.79 120.51 117.87 2kbx n ALA 91 Ca -0.20 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 2kbx n ALA 91 Cb 0.74 -4.01 0.10 0.00 0.00 0.00 0.00 19.45 16.28 2kbx n ALA 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kbx n ASP 92 N -2.79 4.12 -0.06 0.00 5.75 -1.26 -4.20 116.55 118.11 2kbx n ASP 92 Ca 0.03 -3.07 -0.12 0.00 -0.01 0.00 0.00 54.79 51.62 2kbx n ASP 92 Cb 0.52 -0.78 0.01 0.00 -1.03 0.00 0.00 41.12 39.85 2kbx n ASP 92 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 2kbx h ILE 93 N 0.70 1.29 -0.00 2.12 3.07 -1.93 -2.36 117.51 120.40 2kbx h ILE 93 Ca 0.40 -1.65 0.00 0.00 1.55 0.00 0.00 64.86 65.16 2kbx h ILE 93 Cb 1.95 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 40.05 2kbx h ILE 93 CO 0.76 0.54 -0.15 -0.46 -1.05 0.00 0.00 178.15 177.79 2kbx n ASN 94 N -4.02 0.25 -4.17 2.16 0.23 -1.26 -4.49 115.26 103.97 2kbx n ASN 94 Ca -0.03 -0.03 -0.39 0.00 -0.53 0.00 0.00 54.58 53.61 2kbx n ASN 94 Cb 0.57 -0.18 -0.10 0.00 -2.08 0.00 0.00 39.78 37.99 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 -2.82 3.33 1.09 -2.53 0.00 -0.89 -5.08 121.76 114.86 2kbx s ALA 95 Ca 0.18 -2.62 -0.10 0.00 0.00 0.00 0.00 51.96 49.43 2kbx s ALA 95 Cb 0.19 -2.67 0.14 0.00 0.00 0.00 0.00 23.12 20.78 2kbx s ALA 95 CO 0.55 -1.89 0.56 1.55 0.00 0.00 0.00 175.76 176.53 2kbx n VAL 96 N 4.64 0.00 0.00 0.00 3.14 -1.26 -4.83 118.33 120.03 2kbx n VAL 96 Ca -0.04 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2kbx n VAL 96 Cb 0.41 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 2kbx n VAL 96 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2kbx n ASN 97 N -3.80 0.00 -0.00 6.55 0.23 -1.26 -4.98 115.26 112.00 2kbx n ASN 97 Ca 0.08 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.16 2kbx n ASN 97 Cb 0.29 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.95 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2kbx n GLU 98 N 0.00 4.46 -0.00 -3.83 0.28 -1.26 -4.49 120.64 115.80 2kbx n GLU 98 Ca 0.00 -0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 2kbx n GLU 98 Cb 0.00 -0.84 -0.11 0.00 1.43 0.00 0.00 31.44 31.92 2kbx n GLU 98 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kbx n HIS 99 N -1.20 0.00 -0.14 -1.84 -0.00 -1.26 -4.95 115.22 105.83 2kbx n HIS 99 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2kbx n HIS 99 Cb 0.11 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 100 N 1.47 0.93 3.56 1.57 0.00 -1.26 -4.79 105.19 106.67 2kbx n GLY 100 Ca 0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2kbx n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kbx s ASN 101 N -2.02 6.07 0.34 1.61 0.02 -1.26 -4.78 114.94 114.92 2kbx s ASN 101 Ca 0.00 -1.18 -0.19 0.00 -1.02 0.00 0.00 52.86 50.47 2kbx s ASN 101 Cb 0.00 -2.57 -0.10 0.00 0.02 0.00 0.00 41.25 38.61 2kbx s ASN 101 CO 0.00 -1.90 0.83 -0.69 0.02 0.00 0.00 177.10 175.36 2kbx s VAL 102 N 6.59 4.51 0.30 1.60 1.01 -1.26 -4.19 120.40 128.95 2kbx s VAL 102 Ca 0.53 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.84 2kbx s VAL 102 Cb -0.02 -3.70 0.31 0.00 0.00 0.00 0.00 36.38 32.97 2kbx s VAL 102 CO -0.06 -0.12 1.66 -0.65 0.00 0.00 0.00 175.10 175.92 2kbx h PRO 103 N 2.45 0.26 -0.45 2.72 0.11 -1.92 0.39 132.00 135.56 2kbx h PRO 103 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kbx h PRO 103 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2kbx h PRO 103 CO 0.64 0.17 0.29 1.25 -0.21 0.00 0.00 178.00 180.14 2kbx h LEU 104 N 0.27 0.52 -1.15 2.35 5.85 -1.95 0.28 115.31 121.47 2kbx h LEU 104 Ca 0.58 -0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.46 2kbx h LEU 104 Cb 1.20 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2kbx h LEU 104 CO -0.62 0.40 0.61 0.45 -0.34 0.00 0.00 178.44 178.94 2kbx h HIS 105 N 0.60 0.93 0.12 1.25 3.86 -1.28 0.18 115.15 120.80 2kbx h HIS 105 Ca 0.16 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.19 2kbx h HIS 105 Cb -0.05 -0.28 0.02 0.00 1.06 0.00 0.00 27.41 28.16 2kbx h HIS 105 CO -0.04 0.24 -0.89 -0.92 0.86 0.00 0.00 177.93 177.18 2kbx h TYR 106 N 0.69 0.67 -0.54 2.45 5.03 -1.09 -2.24 116.97 121.94 2kbx h TYR 106 Ca 0.54 -0.45 0.07 0.00 2.58 0.00 0.00 58.73 61.47 2kbx h TYR 106 Cb 0.93 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.13 2kbx h TYR 106 CO -0.00 1.32 0.36 0.00 -1.32 0.00 0.00 178.16 178.52 2kbx h ALA 107 N 0.18 1.92 0.01 1.82 0.00 0.89 -0.79 119.26 123.29 2kbx h ALA 107 Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2kbx h ALA 107 Cb 1.66 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2kbx h ALA 107 CO 0.17 -0.02 -1.14 0.00 0.00 0.00 0.00 179.25 178.26 2kbx h PHE 109 N 0.01 0.01 0.01 0.00 3.57 -0.51 -2.69 116.94 117.34 2kbx h PHE 109 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2kbx h PHE 109 Cb 1.83 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.57 2kbx h PHE 109 CO 0.01 0.01 -0.00 -1.49 -2.23 0.00 0.00 178.31 174.60 2kbx h TRP 110 N 0.01 -0.01 0.00 0.41 4.06 -1.44 -3.49 115.95 115.49 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 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 2kbx h TRP 110 CO -0.00 0.12 0.00 0.41 -3.56 0.00 0.00 178.44 175.41 2kbx n GLY 111 N 1.72 0.85 2.91 1.49 0.00 -1.01 -5.11 105.19 106.04 2kbx n GLY 111 Ca -0.01 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 1.61 0.39 1.61 -1.52 -1.21 -4.97 119.66 115.56 2kbx s GLN 112 Ca 0.00 -2.18 0.06 0.00 -1.95 0.00 0.00 55.36 51.29 2kbx s GLN 112 Cb 0.00 -3.00 0.78 0.00 -0.22 0.00 0.00 33.01 30.57 2kbx s GLN 112 CO 0.00 -1.06 2.03 0.22 -0.25 0.00 0.00 175.29 176.23 2kbx h ASP 113 N 6.98 0.53 0.02 5.90 3.58 -1.98 -3.10 116.42 128.35 2kbx h ASP 113 Ca -0.06 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.38 2kbx h ASP 113 Cb 0.94 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 2kbx h ASP 113 CO 0.59 0.41 -0.47 0.06 -2.88 0.00 0.00 179.24 176.94 2kbx h GLN 114 N 0.62 -0.59 -0.68 0.28 -0.00 -1.98 -0.43 115.11 112.32 2kbx h GLN 114 Ca 0.16 0.04 0.11 0.00 -0.00 0.00 0.00 58.65 58.97 2kbx h GLN 114 Cb -0.03 0.13 -0.04 0.00 -0.00 0.00 0.00 27.48 27.54 2kbx h GLN 114 CO -0.03 -0.39 0.46 -0.39 -0.00 0.00 0.00 178.83 178.47 2kbx h VAL 115 N -0.61 0.87 -0.48 1.86 -1.51 -1.91 -0.60 116.25 113.87 2kbx h VAL 115 Ca 0.01 -0.16 -0.07 0.00 -1.23 0.00 0.00 66.70 65.24 2kbx h VAL 115 Cb 0.64 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 2kbx h VAL 115 CO -0.30 0.09 0.01 0.00 -1.23 0.00 0.00 177.57 176.13 2kbx h ALA 116 N 1.66 1.11 0.19 5.19 0.00 -1.15 -2.63 119.26 123.63 2kbx h ALA 116 Ca 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kbx h ALA 116 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kbx h ALA 116 CO -0.10 0.57 -0.09 1.49 0.00 0.00 0.00 179.25 181.12 2kbx h GLU 117 N 0.75 -0.24 -0.93 0.00 4.81 0.43 -2.33 114.58 117.06 2kbx h GLU 117 Ca 0.15 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.57 2kbx h GLU 117 Cb 0.44 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 2kbx h GLU 117 CO 0.02 -0.05 0.60 0.22 -0.73 0.00 0.00 179.01 179.06 2kbx h ASP 118 N -0.39 0.61 0.42 1.04 3.58 -1.29 0.83 116.42 121.21 2kbx h ASP 118 Ca -0.03 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2kbx h ASP 118 Cb 0.30 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2kbx h ASP 118 CO 0.04 0.27 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.40 2kbx h LEU 119 N 0.62 -0.48 0.00 2.28 3.38 -1.16 -2.99 115.31 116.96 2kbx h LEU 119 Ca 0.49 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2kbx h LEU 119 Cb 0.92 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kbx h LEU 119 CO -0.24 -0.05 0.00 0.55 0.09 0.00 0.00 178.44 178.79 2kbx n VAL 120 N -5.17 0.74 0.42 1.22 3.14 -0.91 -2.34 118.33 115.43 2kbx n VAL 120 Ca -0.09 0.18 0.08 0.00 -2.96 0.00 0.00 64.34 61.56 2kbx n VAL 120 Cb 0.28 -0.91 0.35 0.00 -1.06 0.00 0.00 33.84 32.50 2kbx n VAL 120 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kbx n ALA 121 N -1.41 1.60 -0.11 1.55 0.00 0.28 -2.61 120.51 119.81 2kbx n ALA 121 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 2kbx n ALA 121 Cb 0.17 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.75 1.99 0.00 0.00 4.13 -0.99 -4.99 115.26 113.66 2kbx n ASN 122 Ca 0.03 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2kbx n ASN 122 Cb 0.17 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 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 1.94 -0.69 0.11 7.41 0.00 -1.07 -4.98 105.19 107.90 2kbx n GLY 123 Ca -0.45 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 0.50 -1.70 4.61 0.00 -1.25 -4.85 120.51 117.82 2kbx n ALA 124 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kbx n ALA 124 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.74 -5.31 0.14 0.00 7.94 -1.26 -4.76 117.00 112.00 2kbx n LEU 125 Ca -0.00 2.61 0.12 0.00 -1.11 0.00 0.00 56.01 57.63 2kbx n LEU 125 Cb 0.35 -2.64 0.15 0.00 0.53 0.00 0.00 43.42 41.81 2kbx n LEU 125 CO 0.03 -1.23 0.47 1.62 -1.11 0.00 0.00 177.39 177.18 2kbx h VAL 126 N 3.25 0.00 -0.64 1.96 3.04 -1.92 -3.30 116.25 118.64 2kbx h VAL 126 Ca 0.00 -0.83 -0.40 0.00 -1.01 0.00 0.00 66.70 64.46 2kbx h VAL 126 Cb 0.00 1.58 -0.19 0.00 -2.01 0.00 0.00 31.29 30.67 2kbx h VAL 126 CO 0.00 0.00 0.52 -0.24 -1.01 0.00 0.00 177.57 176.84 2kbx n SER 127 N -2.65 5.83 -0.05 3.17 2.88 -1.26 -4.56 113.62 116.97 2kbx n SER 127 Ca 0.03 -3.21 -0.08 0.00 -1.33 0.00 0.00 58.87 54.27 2kbx n SER 127 Cb 0.50 -0.94 -0.02 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.89 0.93 -1.77 2.46 2.04 -1.86 -3.48 117.51 116.72 2kbx h ILE 128 Ca 0.40 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2kbx h ILE 128 Cb 1.28 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2kbx h ILE 128 CO 0.93 0.03 0.00 0.00 0.00 0.00 0.00 178.15 179.11 2kbx n ASN 130 N 0.00 -2.65 0.30 0.00 4.05 -1.26 -4.53 115.26 111.17 2kbx n ASN 130 Ca 0.00 -0.38 0.13 0.00 0.45 0.00 0.00 54.58 54.79 2kbx n ASN 130 Cb 0.00 -1.09 0.71 0.00 1.23 0.00 0.00 39.78 40.63 2kbx n ASN 130 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 2kbx h LYS 131 N -2.85 0.00 0.00 1.20 3.64 -1.86 0.41 116.57 117.10 2kbx h LYS 131 Ca -0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2kbx h LYS 131 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2kbx h LYS 131 CO 0.39 0.00 -0.13 0.98 -2.27 0.00 0.00 179.45 178.42 2kbx n TYR 132 N -2.71 0.00 -1.01 1.91 9.36 -1.26 -4.94 117.16 118.50 2kbx n TYR 132 Ca -0.02 -0.53 -0.00 0.00 3.32 0.00 0.00 57.90 60.66 2kbx n TYR 132 Cb 0.38 -0.09 -0.00 0.00 -0.63 0.00 0.00 39.34 39.00 2kbx n TYR 132 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2kbx n GLY 133 N -0.73 0.44 3.57 2.98 0.00 0.14 -4.90 105.19 106.70 2kbx n GLY 133 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.55 1.68 0.22 1.61 2.12 -1.26 -4.41 118.70 118.10 2kbx s GLU 134 Ca 0.00 -0.00 0.09 0.00 0.36 0.00 0.00 54.97 55.41 2kbx s GLU 134 Cb 0.00 -4.91 -0.04 0.00 0.26 0.00 0.00 34.13 29.43 2kbx s GLU 134 CO 0.00 -4.56 -0.04 -1.64 -0.54 0.00 0.00 175.26 168.48 2kbx s MET 135 N 8.32 2.22 0.47 4.30 -1.94 -1.26 -4.02 119.30 127.39 2kbx s MET 135 Ca 0.84 -1.31 0.22 0.00 -1.71 0.00 0.00 55.69 53.73 2kbx s MET 135 Cb -0.09 -2.19 1.23 0.00 2.01 0.00 0.00 34.83 35.79 2kbx s MET 135 CO 0.10 0.41 1.91 -1.35 -0.01 0.00 0.00 175.02 176.08 2kbx h PRO 136 N 2.44 0.23 -0.98 2.03 0.11 -1.90 -0.71 132.00 133.21 2kbx h PRO 136 Ca -0.46 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.87 2kbx h PRO 136 Cb 1.22 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 2kbx h PRO 136 CO 0.58 0.15 0.56 0.28 -0.21 0.00 0.00 178.00 179.36 2kbx h VAL 137 N 0.23 0.55 0.01 3.15 2.07 -1.93 2.36 116.25 122.70 2kbx h VAL 137 Ca 0.38 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.57 2kbx h VAL 137 Cb 1.16 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2kbx h VAL 137 CO -0.09 0.11 -0.74 0.44 0.02 0.00 0.00 177.57 177.31 2kbx h ASP 138 N 0.58 0.05 0.18 0.57 3.32 -1.48 -1.45 116.42 118.19 2kbx h ASP 138 Ca 0.62 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2kbx h ASP 138 Cb 1.14 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2kbx h ASP 138 CO -0.47 1.30 0.00 0.11 -1.72 0.00 0.00 179.24 178.46 2kbx h LYS 139 N -0.92 0.00 0.00 3.56 1.79 -0.97 -0.22 116.57 119.81 2kbx h LYS 139 Ca -0.19 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.08 2kbx h LYS 139 Cb 1.23 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 2kbx h LYS 139 CO -0.09 0.00 -1.82 0.00 -1.08 0.00 0.00 179.45 176.46 2kbx n ALA 140 N -1.90 1.97 1.27 3.86 0.00 0.79 -3.96 120.51 122.54 2kbx n ALA 140 Ca -0.01 -0.78 0.14 0.00 0.00 0.00 0.00 53.44 52.79 2kbx n ALA 140 Cb 0.09 -0.69 0.54 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.73 0.49 -0.10 0.00 4.81 -0.20 -1.78 118.16 118.65 2kbx n LYS 141 Ca -0.16 -0.18 -0.18 0.00 -0.87 0.00 0.00 58.31 56.93 2kbx n LYS 141 Cb 0.88 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.35 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbx n ALA 142 N -1.10 0.74 0.26 3.14 0.00 -0.56 -4.53 120.51 118.47 2kbx n ALA 142 Ca 0.12 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.86 2kbx n ALA 142 Cb 0.30 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 2kbx n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kbx h PRO 143 N -1.00 -0.73 0.00 0.00 0.11 -1.72 -3.46 132.00 125.19 2kbx h PRO 143 Ca -0.29 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2kbx h PRO 143 Cb 1.13 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2kbx h PRO 143 CO -0.17 -0.49 0.00 1.47 -0.21 0.00 0.00 178.00 178.60 2kbx n LEU 144 N -5.46 0.00 0.30 2.35 -0.00 -1.25 -5.06 117.00 107.88 2kbx n LEU 144 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.78 2kbx n LEU 144 Cb 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.72 2kbx n LEU 144 CO 0.31 0.00 0.44 0.03 -0.00 0.00 0.00 177.39 178.17 2kbx h ARG 145 N 0.00 -0.75 0.00 1.47 3.08 -1.80 -3.44 114.38 112.94 2kbx h ARG 145 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2kbx h ARG 145 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2kbx h ARG 145 CO 0.00 -0.50 0.00 -0.85 -1.07 0.00 0.00 179.97 177.55 2kbx n GLU 146 N -4.40 -0.57 0.13 0.04 0.28 -0.74 -4.53 120.64 110.85 2kbx n GLU 146 Ca -0.10 0.06 -0.22 0.00 -0.16 0.00 0.00 57.16 56.75 2kbx n GLU 146 Cb 0.31 -2.77 -0.15 0.00 1.43 0.00 0.00 31.44 30.26 2kbx n GLU 146 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kbx h LEU 147 N 0.00 0.69 -1.34 -1.84 5.85 -1.86 -2.94 115.31 113.87 2kbx h LEU 147 Ca 0.00 -0.76 -0.06 0.00 0.84 0.00 0.00 57.88 57.90 2kbx h LEU 147 Cb 0.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2kbx h LEU 147 CO 0.00 1.60 -0.27 -0.07 -0.34 0.00 0.00 178.44 179.36 2kbx h LEU 148 N 0.12 0.00 0.48 2.25 4.07 -1.92 -2.64 115.31 117.67 2kbx h LEU 148 Ca -0.23 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.71 2kbx h LEU 148 Cb 2.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.85 2kbx h LEU 148 CO 0.24 0.27 -0.23 -0.09 -1.08 0.00 0.00 178.44 177.56 2kbx h ARG 149 N 0.00 -0.62 -0.39 1.13 2.43 -1.83 1.35 114.38 116.46 2kbx h ARG 149 Ca -0.00 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2kbx h ARG 149 Cb 0.65 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.27 2kbx h ARG 149 CO 0.04 -0.32 -0.03 0.93 -1.51 0.00 0.00 179.97 179.08 2kbx h GLU 150 N -0.86 0.07 -0.39 0.20 4.39 -1.41 0.28 114.58 116.85 2kbx h GLU 150 Ca -0.07 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2kbx h GLU 150 Cb 0.58 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2kbx h GLU 150 CO 0.11 0.05 0.07 0.00 -1.16 0.00 0.00 179.01 178.08 2kbx h ARG 151 N 0.07 0.64 0.30 2.33 2.47 -1.35 0.93 114.38 119.78 2kbx h ARG 151 Ca 0.19 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2kbx h ARG 151 Cb 0.28 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 2kbx h ARG 151 CO -0.35 0.69 -0.40 0.00 0.56 0.00 0.00 179.97 180.48 2kbx h ALA 152 N 0.93 -0.81 0.00 0.04 0.00 0.30 0.27 119.26 119.99 2kbx h ALA 152 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kbx h ALA 152 Cb 0.35 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2kbx h ALA 152 CO 0.01 -1.00 -0.24 1.05 0.00 0.00 0.00 179.25 179.06 2kbx h GLU 153 N -0.75 0.00 -0.00 0.00 4.11 -0.40 -1.70 114.58 115.83 2kbx h GLU 153 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kbx h GLU 153 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2kbx h GLU 153 CO -0.12 0.24 -0.13 1.17 0.07 0.00 0.00 179.01 180.24 2kbx n LYS 154 N -3.77 0.27 0.16 1.06 4.81 0.31 -3.26 118.16 117.74 2kbx n LYS 154 Ca -0.01 -0.07 0.12 0.00 -0.87 0.00 0.00 58.31 57.47 2kbx n LYS 154 Cb 0.34 -1.50 0.57 0.00 0.02 0.00 0.00 35.03 34.46 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2kbx h MET 155 N 0.18 0.00 -0.32 1.64 4.05 0.49 -3.45 114.93 117.51 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 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 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 -0.55 1.00 0.00 1.39 0.00 -1.20 -4.99 105.19 100.84 2kbx n GLY 156 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.20 2.90 -0.05 1.61 1.13 -1.26 -4.86 117.38 116.64 2kbx n GLN 157 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 2kbx n GLN 157 Cb 0.17 -0.76 -0.05 0.00 0.11 0.00 0.00 30.24 29.71 2kbx n GLN 157 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2kbx n ASN 158 N -0.78 2.57 -4.07 1.08 2.85 -1.26 -4.75 115.26 110.91 2kbx n ASN 158 Ca 0.00 -0.01 -0.43 0.00 -0.11 0.00 0.00 54.58 54.03 2kbx n ASN 158 Cb 0.00 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 40.81 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 -2.99 6.16 -4.43 1.20 4.77 -1.23 -4.93 117.00 115.56 2kbx n LEU 159 Ca -0.19 -4.46 -0.42 0.00 -0.03 0.00 0.00 56.01 50.90 2kbx n LEU 159 Cb 0.69 -1.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 2kbx n LEU 159 CO 0.08 1.07 -0.10 0.54 -1.33 0.00 0.00 177.39 177.65 2kbx s ASN 160 N 1.99 5.97 0.85 -1.43 2.20 -1.26 -4.89 114.94 118.37 2kbx s ASN 160 Ca 0.43 -0.95 -0.14 0.00 -0.94 0.00 0.00 52.86 51.26 2kbx s ASN 160 Cb 0.06 -2.11 0.04 0.00 -2.00 0.00 0.00 41.25 37.24 2kbx s ASN 160 CO -0.00 -0.43 0.74 0.54 -2.94 0.00 0.00 177.10 175.00 2kbx n ARG 161 N 5.10 -0.01 -1.58 3.55 3.00 -1.26 -4.75 116.66 120.71 2kbx n ARG 161 Ca -0.11 0.06 -0.44 0.00 -0.01 0.00 0.00 57.85 57.34 2kbx n ARG 161 Cb 0.47 -2.07 -0.04 0.00 0.00 0.00 0.00 32.46 30.82 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 -3.25 0.35 -1.83 0.55 0.00 -1.26 -4.90 119.36 109.02 2kbx n ILE 162 Ca 0.10 -0.41 -0.40 0.00 0.00 0.00 0.00 62.75 62.04 2kbx n ILE 162 Cb 0.52 -2.40 0.01 0.00 0.00 0.00 0.00 39.64 37.77 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2kbx s PRO 163 N 6.19 3.83 -0.18 9.51 0.02 -1.26 -4.88 135.00 148.24 2kbx s PRO 163 Ca 1.01 2.43 0.04 0.00 0.02 0.00 0.00 61.00 64.50 2kbx s PRO 163 Cb -0.43 -2.75 0.35 0.00 0.02 0.00 0.00 34.50 31.68 2kbx s PRO 163 CO 0.38 -0.70 1.32 2.48 -0.33 0.00 0.00 177.00 180.15 2kbx n TYR 164 N 0.02 1.31 0.00 6.54 4.11 -1.26 -4.53 117.16 123.35 2kbx n TYR 164 Ca 0.04 -0.87 0.00 0.00 -0.00 0.00 0.00 57.90 57.07 2kbx n TYR 164 Cb 0.41 -0.48 0.00 0.00 -0.00 0.00 0.00 39.34 39.27 2kbx n TYR 164 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2kbx n LYS 165 N -0.08 0.00 0.00 -3.48 3.00 -1.26 -4.98 118.16 111.36 2kbx n LYS 165 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 2kbx n LYS 165 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.97 2kbx n LYS 165 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kbx n ASP 166 N -0.72 0.00 -0.07 3.14 8.00 -1.26 -2.23 116.55 123.40 2kbx n ASP 166 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kbx n ASP 166 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -3.34 -3.53 -1.04 -1.26 -5.04 114.28 100.07 2kbx n THR 167 Ca 0.00 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 2kbx n THR 167 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 3.51 0.00 -1.42 0.08 -0.95 -4.44 117.98 114.76 2kbx s PHE 168 Ca 0.00 -1.68 0.00 0.00 0.12 0.00 0.00 56.93 55.37 2kbx s PHE 168 Cb 0.00 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 2kbx s PHE 168 CO 0.00 -1.00 0.00 0.91 -0.10 0.00 0.00 175.22 175.03 2kbx n TRP 169 N 4.59 0.00 0.00 0.36 7.02 -1.26 -4.81 117.44 123.34 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 0.43 0.00 0.00 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 -0.06 0.00 0.00 -0.99 4.76 -1.26 -5.26 118.16 115.36 2kbx n LYS 170 Ca 0.00 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2kbx n LYS 170 Cb 0.00 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44