#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7p n ALA 20 N 0.00 2.89 0.28 -2.53 0.00 -1.26 -4.72 120.51 115.16 1x7p n ALA 20 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1x7p n ALA 20 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 1x7p n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x7p h ARG 21 N 0.00 0.00 -0.76 0.00 3.08 -2.06 -1.41 114.38 113.23 1x7p h ARG 21 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1x7p h ARG 21 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1x7p h ARG 21 CO 0.00 0.05 0.43 0.35 -1.07 0.00 0.00 179.97 179.72 1x7p h PHE 22 N 0.00 1.03 0.00 3.04 3.04 -2.00 -2.83 116.94 119.23 1x7p h PHE 22 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1x7p h PHE 22 Cb 0.47 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1x7p h PHE 22 CO 0.00 0.72 0.00 1.96 -2.02 0.00 0.00 178.31 178.97 1x7p h GLN 23 N 1.05 0.00 0.11 1.11 7.50 -1.54 -1.47 115.11 121.86 1x7p h GLN 23 Ca 0.27 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 59.15 1x7p h GLN 23 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1x7p h GLN 23 CO -0.04 0.00 -1.21 0.37 -1.50 0.00 0.00 178.83 176.44 1x7p h GLN 24 N 0.00 0.24 -0.01 1.46 -0.00 -1.41 -2.91 115.11 112.49 1x7p h GLN 24 Ca 0.00 -0.41 -0.09 0.00 -0.00 0.00 0.00 58.65 58.14 1x7p h GLN 24 Cb 0.46 0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 1x7p h GLN 24 CO 0.00 1.20 -0.44 -1.49 0.00 0.00 0.00 178.83 178.10 1x7p h TRP 25 N 0.07 0.04 0.01 3.99 6.55 -1.18 -3.07 115.95 122.35 1x7p h TRP 25 Ca -0.12 -0.01 -0.20 0.00 0.95 0.00 0.00 58.89 59.51 1x7p h TRP 25 Cb 1.95 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 30.21 1x7p h TRP 25 CO 0.06 0.46 -0.93 0.37 -1.05 0.00 0.00 178.44 177.35 1x7p h GLN 26 N 0.03 0.03 0.00 0.49 4.15 -1.30 -3.00 115.11 115.50 1x7p h GLN 26 Ca -0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 1x7p h GLN 26 Cb 0.78 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1x7p h GLN 26 CO 0.06 0.94 -0.25 0.00 -1.93 0.00 0.00 178.83 177.64 1x7p h ALA 27 N 1.04 1.08 0.00 3.38 0.00 -1.47 -2.86 119.26 120.43 1x7p h ALA 27 Ca -0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1x7p h ALA 27 Cb 1.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1x7p h ALA 27 CO 0.13 0.31 -0.58 -0.07 0.00 0.00 0.00 179.25 179.04 1x7p h LEU 28 N 0.00 0.00 0.44 0.00 3.38 -1.43 -3.21 115.31 114.50 1x7p h LEU 28 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1x7p h LEU 28 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1x7p h LEU 28 CO 0.03 0.58 -0.21 -0.07 0.09 0.00 0.00 178.44 178.86 1x7p h LEU 29 N 0.00 -0.51 0.00 1.67 3.38 -1.53 -3.45 115.31 114.87 1x7p h LEU 29 Ca -0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1x7p h LEU 29 Cb 1.10 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1x7p h LEU 29 CO 0.08 -0.17 0.01 0.61 0.09 0.00 0.00 178.44 179.06 1x7p n GLY 30 N -0.58 -2.27 0.00 0.83 0.00 -1.15 -4.75 105.19 97.27 1x7p n GLY 30 Ca -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1x7p n GLY 30 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x7p n ASN 31 N -3.11 0.00 0.01 1.61 0.23 -1.26 -4.86 115.26 107.88 1x7p n ASN 31 Ca 0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.19 1x7p n ASN 31 Cb 0.04 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.24 1x7p n ASN 31 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1x7p n ARG 32 N 0.00 0.02 0.18 -3.83 1.85 -1.26 -3.94 116.66 109.68 1x7p n ARG 32 Ca 0.00 0.02 -0.14 0.00 -1.00 0.00 0.00 57.85 56.72 1x7p n ARG 32 Cb 0.00 -1.52 -0.08 0.00 -1.05 0.00 0.00 32.46 29.81 1x7p n ARG 32 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1x7p h ASN 33 N 0.00 -0.34 -0.40 2.89 -0.26 -1.94 -2.20 115.58 113.33 1x7p h ASN 33 Ca 0.00 -0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 1x7p h ASN 33 Cb 0.52 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.85 1x7p h ASN 33 CO 0.00 -0.18 0.06 0.11 -1.06 0.00 0.00 177.43 176.36 1x7p h LYS 34 N -0.48 0.76 -0.84 0.81 1.57 -1.87 -2.64 116.57 113.88 1x7p h LYS 34 Ca -0.04 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1x7p h LYS 34 Cb 0.36 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 1x7p h LYS 34 CO 0.07 0.73 0.50 0.00 -0.57 0.00 0.00 179.45 180.17 1x7p h ARG 35 N 0.72 0.82 -0.40 3.15 3.08 -1.67 -2.32 114.38 117.76 1x7p h ARG 35 Ca 0.15 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 1x7p h ARG 35 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1x7p h ARG 35 CO 0.01 0.54 -0.26 1.15 -1.07 0.00 0.00 179.97 180.34 1x7p h THR 36 N 0.85 1.28 -0.28 2.04 2.02 -1.05 -1.72 112.91 116.04 1x7p h THR 36 Ca 0.40 -1.42 -0.17 0.00 0.77 0.00 0.00 66.41 65.99 1x7p h THR 36 Cb 0.32 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1x7p h THR 36 CO -0.23 0.47 -0.49 -0.09 0.37 0.00 0.00 175.52 175.55 1x7p h ARG 37 N 0.69 0.77 0.00 6.66 2.43 -1.33 -2.96 114.38 120.64 1x7p h ARG 37 Ca 0.08 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1x7p h ARG 37 Cb 0.83 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1x7p h ARG 37 CO 0.07 1.08 0.00 0.00 -1.51 0.00 0.00 179.97 179.61 1x7p h ALA 38 N 0.84 1.00 -5.75 2.80 0.00 -1.45 -3.48 119.26 113.22 1x7p h ALA 38 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.55 1x7p h ALA 38 Cb 1.07 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.00 1x7p h ALA 38 CO 0.11 0.00 -0.68 0.41 0.00 0.00 0.00 179.25 179.09 1x7p n GLY 39 N 1.04 -0.51 3.51 0.00 0.00 -0.67 -4.99 105.19 103.58 1x7p n GLY 39 Ca 0.04 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1x7p n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x7p s GLU 40 N -6.21 1.27 0.20 1.61 -1.05 -1.08 -1.90 118.70 111.54 1x7p s GLU 40 Ca 0.53 -0.52 -0.14 0.00 -0.15 0.00 0.00 54.97 54.69 1x7p s GLU 40 Cb -0.23 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1x7p s GLU 40 CO 0.72 -0.56 0.44 -0.59 0.95 0.00 0.00 175.26 176.21 1x7p s PHE 41 N -3.64 0.17 -0.02 4.83 -0.71 -0.82 -4.66 117.98 113.13 1x7p s PHE 41 Ca 0.04 -0.53 -0.14 0.00 -1.04 0.00 0.00 56.93 55.26 1x7p s PHE 41 Cb -0.02 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 1x7p s PHE 41 CO -0.09 -0.88 0.37 -0.51 -1.34 0.00 0.00 175.22 172.78 1x7p s LEU 42 N -2.94 4.46 -0.04 -1.99 1.02 -1.26 -0.96 118.68 116.97 1x7p s LEU 42 Ca 0.15 0.89 0.00 0.00 0.02 0.00 0.00 54.13 55.19 1x7p s LEU 42 Cb 0.00 -2.52 0.03 0.00 0.02 0.00 0.00 46.19 43.72 1x7p s LEU 42 CO 0.01 0.33 0.00 -0.69 0.02 0.00 0.00 176.35 176.02 1x7p s VAL 43 N -1.03 0.21 0.09 -1.59 1.01 -0.63 -4.90 120.40 113.56 1x7p s VAL 43 Ca 0.23 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.40 1x7p s VAL 43 Cb -0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1x7p s VAL 43 CO 0.12 0.16 -0.26 0.00 0.00 0.00 0.00 175.10 175.12 1x7p s MET 44 N 1.18 1.59 0.00 2.72 0.23 -1.26 -0.56 119.30 123.19 1x7p s MET 44 Ca -0.07 -1.22 0.00 0.00 -1.03 0.00 0.00 55.69 53.36 1x7p s MET 44 Cb -0.13 -1.92 0.00 0.00 -1.53 0.00 0.00 34.83 31.25 1x7p s MET 44 CO -0.02 0.48 0.00 0.41 -2.03 0.00 0.00 175.02 173.86 1x7p n GLY 45 N 1.35 2.79 0.31 3.16 0.00 -0.91 -4.58 105.19 107.31 1x7p n GLY 45 Ca -0.17 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.46 1x7p n GLY 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x7p h VAL 46 N 0.00 0.83 0.34 1.61 -1.51 -1.97 -2.18 116.25 113.36 1x7p h VAL 46 Ca 0.00 -0.25 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1x7p h VAL 46 Cb 0.00 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.19 1x7p h VAL 46 CO 0.00 0.14 -0.16 -0.09 -1.23 0.00 0.00 177.57 176.22 1x7p h ARG 47 N 0.74 -0.44 -0.59 5.19 2.43 -1.99 -1.85 114.38 117.87 1x7p h ARG 47 Ca 0.44 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.75 1x7p h ARG 47 Cb 0.51 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 1x7p h ARG 47 CO -0.30 -0.14 0.14 -1.35 -1.51 0.00 0.00 179.97 176.81 1x7p h PRO 48 N -0.76 0.27 -0.94 0.20 0.11 -1.79 -2.39 132.00 126.70 1x7p h PRO 48 Ca -0.05 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.05 1x7p h PRO 48 Cb 0.51 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.51 1x7p h PRO 48 CO 0.08 0.18 0.61 0.82 -0.21 0.00 0.00 178.00 179.48 1x7p h ILE 49 N 0.28 1.24 -0.33 4.15 1.08 -1.31 -2.26 117.51 120.37 1x7p h ILE 49 Ca 0.31 -0.45 -0.12 0.00 -0.39 0.00 0.00 64.86 64.21 1x7p h ILE 49 Cb 0.44 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1x7p h ILE 49 CO -0.38 0.24 -0.27 0.28 -0.69 0.00 0.00 178.15 177.33 1x7p h SER 50 N 1.27 0.68 -0.58 1.72 0.02 -0.90 -1.18 113.55 114.58 1x7p h SER 50 Ca 0.34 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1x7p h SER 50 Cb -0.14 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1x7p h SER 50 CO -0.07 0.92 0.18 -0.07 -1.14 0.00 0.00 176.83 176.65 1x7p h LEU 51 N 0.58 0.88 -0.84 5.07 3.38 -1.13 -0.71 115.31 122.53 1x7p h LEU 51 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1x7p h LEU 51 Cb 0.76 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1x7p h LEU 51 CO 0.06 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.47 1x7p h ALA 52 N 1.29 1.04 -0.24 1.53 0.00 -0.80 -1.69 119.26 120.39 1x7p h ALA 52 Ca 0.20 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1x7p h ALA 52 Cb 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x7p h ALA 52 CO -0.01 0.61 -0.52 0.28 0.00 0.00 0.00 179.25 179.61 1x7p h VAL 53 N 0.86 1.29 0.00 0.00 2.07 -0.96 -0.93 116.25 118.58 1x7p h VAL 53 Ca 0.17 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 1x7p h VAL 53 Cb 0.44 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1x7p h VAL 53 CO 0.02 0.55 -0.47 -0.08 0.02 0.00 0.00 177.57 177.60 1x7p h GLU 54 N 0.51 0.00 -0.66 1.57 4.81 -0.95 -2.99 114.58 116.87 1x7p h GLU 54 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1x7p h GLU 54 Cb 1.13 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 1x7p h GLU 54 CO 0.11 0.47 0.20 0.72 -0.73 0.00 0.00 179.01 179.79 1x7p n HIS 55 N -3.76 2.23 -1.00 0.92 8.25 -0.65 -4.94 115.22 116.27 1x7p n HIS 55 Ca -0.01 -1.15 -0.00 0.00 -0.26 0.00 0.00 57.72 56.29 1x7p n HIS 55 Cb 0.53 -0.63 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 1x7p n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x7p n GLY 56 N -0.17 0.43 3.71 -1.41 0.00 -1.13 -5.01 105.19 101.62 1x7p n GLY 56 Ca 0.38 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1x7p n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x7p s TRP 57 N -1.86 3.50 0.49 1.61 0.52 -0.36 -5.02 118.94 117.82 1x7p s TRP 57 Ca 0.00 1.44 -0.22 0.00 0.02 0.00 0.00 56.10 57.34 1x7p s TRP 57 Cb 0.00 -3.31 -0.07 0.00 -1.15 0.00 0.00 33.47 28.94 1x7p s TRP 57 CO 0.00 -0.82 1.22 -2.14 0.02 0.00 0.00 176.95 175.23 1x7p s PRO 58 N 1.14 3.56 -0.31 4.98 0.02 -1.26 -4.45 135.00 138.68 1x7p s PRO 58 Ca 0.56 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.49 1x7p s PRO 58 Cb -0.26 -2.34 0.09 0.00 0.02 0.00 0.00 34.50 32.01 1x7p s PRO 58 CO 0.28 -0.75 0.05 0.08 -0.33 0.00 0.00 177.00 176.33 1x7p s VAL 59 N -1.49 1.66 0.22 3.83 1.01 -1.26 -2.02 120.40 122.36 1x7p s VAL 59 Ca 0.66 -1.82 0.05 0.00 0.00 0.00 0.00 61.98 60.87 1x7p s VAL 59 Cb -0.32 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 1x7p s VAL 59 CO 0.38 -0.54 1.50 0.03 0.00 0.00 0.00 175.10 176.47 1x7p h ARG 60 N 7.84 0.16 -3.43 2.72 -0.00 -1.87 -3.44 114.38 116.36 1x7p h ARG 60 Ca -0.10 -0.13 -0.15 0.00 -0.50 0.00 0.00 59.98 59.10 1x7p h ARG 60 Cb 1.03 0.03 -0.21 0.00 0.00 0.00 0.00 29.97 30.81 1x7p h ARG 60 CO 0.48 0.80 -0.47 0.99 0.00 0.00 0.00 179.97 181.78 1x7p s THR 61 N -3.50 0.07 -0.19 2.04 2.01 -1.22 -3.62 115.64 111.24 1x7p s THR 61 Ca -0.03 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 1x7p s THR 61 Cb 0.11 -0.43 0.06 0.00 0.01 0.00 0.00 72.50 72.25 1x7p s THR 61 CO 0.80 -0.32 0.06 -0.22 -0.69 0.00 0.00 174.62 174.25 1x7p s LEU 62 N -1.20 0.79 -0.08 4.42 2.96 -0.18 -1.84 118.68 123.55 1x7p s LEU 62 Ca -0.13 -0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 52.95 1x7p s LEU 62 Cb -0.07 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 1x7p s LEU 62 CO 0.02 -0.33 0.20 -0.76 -1.32 0.00 0.00 176.35 174.15 1x7p s LEU 63 N 1.99 4.40 -0.16 -0.68 1.43 0.11 -1.62 118.68 124.15 1x7p s LEU 63 Ca 0.01 0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 53.49 1x7p s LEU 63 Cb -0.17 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.86 1x7p s LEU 63 CO -0.09 0.37 0.45 -0.72 0.23 0.00 0.00 176.35 176.59 1x7p s TYR 64 N -1.08 -0.48 0.00 0.29 1.13 -0.97 -1.65 117.35 114.59 1x7p s TYR 64 Ca 0.18 1.16 0.00 0.00 -1.41 0.00 0.00 57.07 57.00 1x7p s TYR 64 Cb -0.13 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1x7p s TYR 64 CO 0.07 -0.26 0.00 -3.47 -2.51 0.00 0.00 175.55 169.39 1x7p n ASP 65 N 2.69 0.00 -0.00 -0.18 2.03 -1.12 -1.58 116.55 118.39 1x7p n ASP 65 Ca -0.14 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.25 1x7p n ASP 65 Cb 0.57 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.87 1x7p n ASP 65 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1x7p n ARG 68 N 0.00 1.36 0.00 -0.67 0.00 -1.26 -5.71 116.66 110.38 1x7p n ARG 68 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1x7p n ARG 68 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1x7p n ARG 68 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1x7p n GLU 69 N -1.64 0.00 -2.08 -0.14 0.28 -1.26 -5.00 120.64 110.79 1x7p n GLU 69 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1x7p n GLU 69 Cb 0.31 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.47 1x7p n GLU 69 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1x7p n LEU 70 N -0.67 -5.76 -4.58 -1.84 4.32 -1.26 -5.05 117.00 102.15 1x7p n LEU 70 Ca 0.00 2.34 -0.29 0.00 -0.02 0.00 0.00 56.01 58.04 1x7p n LEU 70 Cb 0.00 -2.83 0.23 0.00 -1.62 0.00 0.00 43.42 39.20 1x7p n LEU 70 CO 0.00 -2.33 0.60 -0.44 -1.22 0.00 0.00 177.39 173.99 1x7p s SER 71 N -0.48 1.18 0.08 -1.43 0.01 -1.26 -4.86 113.70 106.94 1x7p s SER 71 Ca 0.00 0.87 -0.17 0.00 1.31 0.00 0.00 55.95 57.96 1x7p s SER 71 Cb 0.00 -1.29 -0.10 0.00 0.21 0.00 0.00 66.02 64.83 1x7p s SER 71 CO 0.00 -3.99 1.40 0.11 0.41 0.00 0.00 173.24 171.17 1x7p h LYS 72 N -2.49 0.58 -0.39 12.44 1.57 -1.99 -2.62 116.57 123.67 1x7p h LYS 72 Ca -0.49 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.01 1x7p h LYS 72 Cb 1.31 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1x7p h LYS 72 CO 0.42 0.88 0.22 2.35 -0.57 0.00 0.00 179.45 182.75 1x7p h TRP 73 N 0.28 0.41 -0.67 -1.35 2.91 -1.99 -1.81 115.95 113.73 1x7p h TRP 73 Ca 0.04 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 1x7p h TRP 73 Cb 0.77 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.26 1x7p h TRP 73 CO 0.07 0.24 0.34 0.00 -1.03 0.00 0.00 178.44 178.06 1x7p h ALA 74 N 1.18 0.86 0.14 2.65 0.00 -1.93 -1.42 119.26 120.74 1x7p h ALA 74 Ca 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1x7p h ALA 74 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1x7p h ALA 74 CO -0.08 0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 1x7p h ARG 75 N 0.93 -0.32 -0.25 0.00 3.08 -1.36 -2.42 114.38 114.03 1x7p h ARG 75 Ca 0.23 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1x7p h ARG 75 Cb 0.09 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1x7p h ARG 75 CO -0.03 -0.22 0.17 1.49 -1.07 0.00 0.00 179.97 180.31 1x7p h GLU 76 N -0.34 0.17 -0.40 0.04 4.57 -1.18 -1.67 114.58 115.76 1x7p h GLU 76 Ca 0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1x7p h GLU 76 Cb 0.33 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1x7p h GLU 76 CO -0.06 0.11 0.16 -0.07 -1.18 0.00 0.00 179.01 177.97 1x7p h LEU 77 N 0.18 0.56 -0.18 1.64 3.38 -0.84 -3.05 115.31 117.00 1x7p h LEU 77 Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x7p h LEU 77 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1x7p h LEU 77 CO -0.02 0.58 0.09 -0.07 0.09 0.00 0.00 178.44 179.12 1x7p h LEU 78 N 0.51 0.22 -1.97 1.67 4.07 -0.84 -1.66 115.31 117.30 1x7p h LEU 78 Ca 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1x7p h LEU 78 Cb 0.20 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1x7p h LEU 78 CO -0.01 0.26 0.01 -2.11 -1.08 0.00 0.00 178.44 175.50 1x7p n ARG 79 N -4.90 2.41 0.00 1.13 1.85 -1.10 -3.87 116.66 112.18 1x7p n ARG 79 Ca -0.04 -1.16 0.00 0.00 -1.00 0.00 0.00 57.85 55.65 1x7p n ARG 79 Cb 0.08 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1x7p n ARG 79 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1x7p n THR 80 N 0.22 0.00 -2.72 8.89 -1.04 -1.13 -4.98 114.28 113.52 1x7p n THR 80 Ca 0.11 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 1x7p n THR 80 Cb 0.61 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.64 1x7p n THR 80 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x7p s VAL 81 N -1.62 4.16 -1.15 12.58 1.01 -0.64 -4.96 120.40 129.78 1x7p s VAL 81 Ca 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 1x7p s VAL 81 Cb 0.00 -4.67 0.17 0.00 0.00 0.00 0.00 36.38 31.88 1x7p s VAL 81 CO 0.00 -1.34 1.35 -0.13 0.00 0.00 0.00 175.10 174.98 1x7p s ARG 82 N 4.55 4.01 0.34 2.72 1.81 -1.26 -4.86 118.95 126.26 1x7p s ARG 82 Ca 0.34 -2.50 0.02 0.00 -1.72 0.00 0.00 55.73 51.87 1x7p s ARG 82 Cb -0.11 -4.99 -0.01 0.00 -0.45 0.00 0.00 34.95 29.40 1x7p s ARG 82 CO 0.19 -1.72 0.40 -2.37 -0.68 0.00 0.00 175.30 171.13 1x7p n THR 83 N 4.58 0.00 -1.67 0.02 5.66 -1.26 -5.11 114.28 116.50 1x7p n THR 83 Ca 0.33 -2.01 -0.46 0.00 -3.05 0.00 0.00 64.05 58.86 1x7p n THR 83 Cb 0.44 1.13 -0.04 0.00 -1.55 0.00 0.00 70.33 70.30 1x7p n THR 83 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1x7p n GLU 84 N -0.59 2.46 -4.09 1.09 2.13 -1.24 -4.91 120.64 115.49 1x7p n GLU 84 Ca 0.03 0.90 -0.32 0.00 0.66 0.00 0.00 57.16 58.43 1x7p n GLU 84 Cb 0.58 -2.79 -0.16 0.00 0.27 0.00 0.00 31.44 29.35 1x7p n GLU 84 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1x7p s GLN 85 N 4.10 2.74 -0.11 5.31 -0.21 -1.26 -1.01 119.66 129.23 1x7p s GLN 85 Ca 0.91 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 55.44 1x7p s GLN 85 Cb -0.59 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 30.89 1x7p s GLN 85 CO 0.47 -0.28 -0.17 0.42 -2.12 0.00 0.00 175.29 173.62 1x7p s ILE 86 N 1.30 1.59 0.39 1.08 1.01 -0.64 -5.00 121.20 120.93 1x7p s ILE 86 Ca 0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 59.74 1x7p s ILE 86 Cb -0.14 -1.43 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 1x7p s ILE 86 CO -0.11 0.46 0.97 0.00 0.00 0.00 0.00 174.94 176.26 1x7p s ALA 87 N 0.87 3.09 0.03 9.38 0.00 -1.26 -2.30 121.76 131.57 1x7p s ALA 87 Ca -0.09 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1x7p s ALA 87 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1x7p s ALA 87 CO -0.00 0.05 -0.06 -1.64 0.00 0.00 0.00 175.76 174.11 1x7p s MET 88 N -2.70 0.45 0.59 0.00 1.00 -0.61 -4.88 119.30 113.14 1x7p s MET 88 Ca 0.58 -0.72 -0.18 0.00 0.00 0.00 0.00 55.69 55.37 1x7p s MET 88 Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 34.83 34.53 1x7p s MET 88 CO 0.19 0.00 1.17 0.00 0.00 0.00 0.00 175.02 176.39 1x7p s ALA 89 N -1.52 2.56 0.26 3.03 0.00 -1.26 -4.31 121.76 120.52 1x7p s ALA 89 Ca -0.12 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 1x7p s ALA 89 Cb -0.09 -3.40 0.50 0.00 0.00 0.00 0.00 23.12 20.13 1x7p s ALA 89 CO -0.01 -1.09 1.75 -1.35 0.00 0.00 0.00 175.76 175.07 1x7p h PRO 90 N 0.80 0.56 -0.95 0.00 0.11 -2.00 -2.73 132.00 127.79 1x7p h PRO 90 Ca -0.50 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.70 1x7p h PRO 90 Cb 1.28 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 1x7p h PRO 90 CO 0.55 0.37 -0.48 -0.44 -0.21 0.00 0.00 178.00 177.79 1x7p h ASP 91 N 0.58 -1.77 1.49 -2.05 3.45 -2.03 -3.01 116.42 113.08 1x7p h ASP 91 Ca 0.44 0.31 0.00 0.00 0.43 0.00 0.00 57.03 58.22 1x7p h ASP 91 Cb 0.63 0.84 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 1x7p h ASP 91 CO -0.37 -0.27 0.00 -0.07 -1.57 0.00 0.00 179.24 176.96 1x7p h LEU 92 N -0.03 0.00 -2.68 1.55 3.38 -1.87 -3.31 115.31 112.36 1x7p h LEU 92 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1x7p h LEU 92 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x7p h LEU 92 CO -0.93 0.00 -0.00 -0.07 0.09 0.00 0.00 178.44 177.52 1x7p h LEU 93 N 0.00 0.00 -9.88 1.67 3.38 -1.59 -3.51 115.31 105.38 1x7p h LEU 93 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1x7p h LEU 93 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1x7p h LEU 93 CO 0.00 0.00 0.34 -0.04 0.09 0.00 0.00 178.44 178.84 1x7p s MET 94 N -4.38 4.59 -0.24 1.13 -1.94 -1.25 -4.91 119.30 112.30 1x7p s MET 94 Ca -0.05 1.33 -0.00 0.00 -1.71 0.00 0.00 55.69 55.26 1x7p s MET 94 Cb 0.14 -2.81 0.07 0.00 2.01 0.00 0.00 34.83 34.23 1x7p s MET 94 CO 0.49 0.29 -0.01 -2.14 -0.01 0.00 0.00 175.02 173.63 1x7p s PRO 103 N -2.03 1.26 0.57 2.03 0.02 -1.26 -5.07 135.00 130.52 1x7p s PRO 103 Ca 0.50 -0.88 -0.08 0.00 0.02 0.00 0.00 61.00 60.56 1x7p s PRO 103 Cb -0.19 -2.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.89 1x7p s PRO 103 CO 0.24 -0.66 0.92 -1.25 -0.33 0.00 0.00 177.00 175.92 1x7p s PRO 104 N 1.52 3.36 -0.01 5.54 0.04 -1.26 -5.02 135.00 139.17 1x7p s PRO 104 Ca -0.02 0.36 0.15 0.00 0.04 0.00 0.00 61.00 61.53 1x7p s PRO 104 Cb -0.18 -2.22 -0.21 0.00 0.04 0.00 0.00 34.50 31.93 1x7p s PRO 104 CO -0.09 -0.51 0.48 -0.85 0.04 0.00 0.00 177.00 176.07 1x7p n GLU 105 N -2.57 1.18 -3.85 4.56 0.28 -1.26 -4.94 120.64 114.05 1x7p n GLU 105 Ca 0.04 -0.08 -0.12 0.00 -0.16 0.00 0.00 57.16 56.84 1x7p n GLU 105 Cb 0.55 -1.30 -0.13 0.00 1.43 0.00 0.00 31.44 32.00 1x7p n GLU 105 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1x7p s VAL 106 N -2.78 0.02 -0.01 3.84 1.01 -1.26 -2.80 120.40 118.42 1x7p s VAL 106 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1x7p s VAL 106 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.31 1x7p s VAL 106 CO 0.63 -0.07 -0.04 -0.69 0.00 0.00 0.00 175.10 174.93 1x7p s VAL 107 N -0.18 0.35 -0.04 2.92 1.01 -0.66 -2.15 120.40 121.65 1x7p s VAL 107 Ca -0.02 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1x7p s VAL 107 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1x7p s VAL 107 CO 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 175.10 175.00 1x7p s ALA 108 N -0.03 1.78 -0.27 5.51 0.00 0.27 0.04 121.76 129.06 1x7p s ALA 108 Ca 0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 1x7p s ALA 108 Cb -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1x7p s ALA 108 CO -0.00 0.34 0.79 0.08 0.00 0.00 0.00 175.76 176.97 1x7p s VAL 109 N -0.10 4.83 -0.01 0.00 1.01 -0.77 -1.60 120.40 123.77 1x7p s VAL 109 Ca -0.02 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.39 1x7p s VAL 109 Cb -0.12 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1x7p s VAL 109 CO 0.02 -0.14 -0.25 -0.69 0.00 0.00 0.00 175.10 174.04 1x7p s VAL 110 N 2.86 2.15 -0.23 2.92 1.01 -0.14 -2.52 120.40 126.45 1x7p s VAL 110 Ca 0.33 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 1x7p s VAL 110 Cb -0.15 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1x7p s VAL 110 CO 0.10 0.53 1.40 -0.70 0.00 0.00 0.00 175.10 176.43 1x7p s GLU 111 N -0.78 3.98 -0.12 2.72 2.12 -0.85 -1.94 118.70 123.83 1x7p s GLU 111 Ca 0.11 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.67 1x7p s GLU 111 Cb -0.10 -3.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1x7p s GLU 111 CO -0.00 -1.04 1.30 1.41 -0.54 0.00 0.00 175.26 176.38 1x7p s MET 112 N 4.13 4.25 0.92 4.30 -2.45 -0.80 -4.64 119.30 125.01 1x7p s MET 112 Ca 0.61 1.73 -0.12 0.00 -1.25 0.00 0.00 55.69 56.66 1x7p s MET 112 Cb -0.21 -3.73 0.14 0.00 1.25 0.00 0.00 34.83 32.28 1x7p s MET 112 CO 0.23 -0.66 1.12 -1.25 1.05 0.00 0.00 175.02 175.51 1x7p s PRO 113 N 3.21 1.10 0.54 4.11 0.04 -1.26 -4.82 135.00 137.92 1x7p s PRO 113 Ca 0.57 0.40 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 1x7p s PRO 113 Cb -0.24 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1x7p s PRO 113 CO 0.18 -2.25 1.05 0.00 0.04 0.00 0.00 177.00 176.02 1x7p s ALA 114 N -3.18 2.82 -1.38 8.56 0.00 -1.26 -4.95 121.76 122.36 1x7p s ALA 114 Ca 0.64 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 1x7p s ALA 114 Cb -0.16 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.81 1x7p s ALA 114 CO 0.54 -0.56 2.04 -0.25 0.00 0.00 0.00 175.76 177.54 1x7p n ASP 115 N -1.53 4.38 -4.66 0.00 8.00 -1.26 -4.95 116.55 116.53 1x7p n ASP 115 Ca 0.09 -2.93 -0.37 0.00 0.71 0.00 0.00 54.79 52.30 1x7p n ASP 115 Cb 0.53 -1.62 -0.10 0.00 -0.02 0.00 0.00 41.12 39.91 1x7p n ASP 115 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x7p s ASP 116 N 2.70 6.12 0.52 -2.24 -1.08 -1.26 -4.84 116.67 116.60 1x7p s ASP 116 Ca 0.46 0.12 0.34 0.00 -0.52 0.00 0.00 52.55 52.95 1x7p s ASP 116 Cb 0.11 -2.11 1.61 0.00 -1.46 0.00 0.00 42.92 41.07 1x7p s ASP 116 CO -0.04 0.05 2.03 -0.07 0.52 0.00 0.00 175.17 177.66 1x7p h LEU 117 N 7.58 0.00 0.00 -1.34 3.38 -1.96 -2.60 115.31 120.38 1x7p h LEU 117 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1x7p h LEU 117 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x7p h LEU 117 CO 0.65 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.65 1x7p n ASP 118 N -2.88 0.00 0.21 -0.43 8.00 -1.26 -2.79 116.55 117.39 1x7p n ASP 118 Ca -0.00 -0.60 0.06 0.00 0.71 0.00 0.00 54.79 54.96 1x7p n ASP 118 Cb 0.20 -0.12 0.44 0.00 -0.02 0.00 0.00 41.12 41.62 1x7p n ASP 118 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1x7p h ARG 119 N 0.00 0.00 -6.15 -1.24 3.08 -1.87 -3.40 114.38 104.80 1x7p h ARG 119 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1x7p h ARG 119 Cb 0.11 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 1x7p h ARG 119 CO 0.00 0.31 0.75 0.42 -1.07 0.00 0.00 179.97 180.38 1x7p s ILE 120 N -3.93 4.61 0.11 2.04 1.01 -1.12 -4.87 121.20 119.05 1x7p s ILE 120 Ca -0.02 1.72 -0.28 0.00 0.00 0.00 0.00 60.65 62.07 1x7p s ILE 120 Cb 0.13 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1x7p s ILE 120 CO 0.67 -0.36 0.88 -2.16 0.00 0.00 0.00 174.94 173.98 1x7p s PRO 121 N 3.41 4.65 -0.20 2.79 0.04 -1.26 -5.04 135.00 139.38 1x7p s PRO 121 Ca 0.43 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 1x7p s PRO 121 Cb -0.13 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.07 1x7p s PRO 121 CO 0.12 0.31 -0.15 0.08 0.04 0.00 0.00 177.00 177.40 1x7p s VAL 122 N -0.28 2.43 0.30 -0.36 1.01 -1.26 -4.94 120.40 117.30 1x7p s VAL 122 Ca 0.43 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1x7p s VAL 122 Cb -0.23 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1x7p s VAL 122 CO 0.28 0.46 0.11 0.54 0.00 0.00 0.00 175.10 176.48 1x7p n ARG 123 N 4.66 0.67 0.30 2.72 1.74 -1.26 -5.04 116.66 120.45 1x7p n ARG 123 Ca -0.20 -2.57 0.18 0.00 -0.77 0.00 0.00 57.85 54.50 1x7p n ARG 123 Cb 0.50 1.41 0.95 0.00 -1.02 0.00 0.00 32.46 34.29 1x7p n ARG 123 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1x7p h GLU 124 N 0.00 0.00 -0.91 5.56 -0.00 -1.99 -2.23 114.58 115.01 1x7p h GLU 124 Ca -0.24 0.00 -0.46 0.00 -0.00 0.00 0.00 59.36 58.67 1x7p h GLU 124 Cb 0.91 0.00 -0.27 0.00 -0.00 0.00 0.00 28.75 29.38 1x7p h GLU 124 CO 0.37 0.03 0.55 -0.40 -0.00 0.00 0.00 179.01 179.56 1x7p n ASP 125 N -3.30 3.76 -4.66 3.06 5.75 -1.26 -4.11 116.55 115.78 1x7p n ASP 125 Ca -0.02 -3.58 -0.45 0.00 -0.01 0.00 0.00 54.79 50.73 1x7p n ASP 125 Cb 0.17 -0.81 -0.03 0.00 -1.03 0.00 0.00 41.12 39.42 1x7p n ASP 125 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1x7p n PHE 126 N -1.04 2.05 -3.50 2.11 7.35 -0.84 -4.88 117.46 118.72 1x7p n PHE 126 Ca 0.55 0.47 -0.17 0.00 -0.76 0.00 0.00 57.45 57.54 1x7p n PHE 126 Cb 1.59 -2.44 -0.13 0.00 0.35 0.00 0.00 39.48 38.86 1x7p n PHE 126 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1x7p s LEU 127 N 0.14 -0.17 0.30 -2.13 0.20 -1.25 -1.09 118.68 114.68 1x7p s LEU 127 Ca 0.68 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.43 1x7p s LEU 127 Cb -0.67 0.48 -0.05 0.00 -0.43 0.00 0.00 46.19 45.51 1x7p s LEU 127 CO 0.50 -0.31 0.09 -0.83 -0.29 0.00 0.00 176.35 175.51 1x7p s GLY 128 N 2.35 1.99 -0.02 7.98 0.00 -0.29 0.16 107.32 119.49 1x7p s GLY 128 Ca 0.07 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 42.93 1x7p s GLY 128 CO -0.12 -1.70 -0.03 0.14 0.00 0.00 0.00 173.10 171.39 1x7p s VAL 129 N -3.51 0.31 -0.09 1.40 1.01 -0.70 -1.36 120.40 117.47 1x7p s VAL 129 Ca 0.36 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1x7p s VAL 129 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1x7p s VAL 129 CO 0.15 0.14 -0.14 -0.22 0.00 0.00 0.00 175.10 175.02 1x7p s LEU 130 N 0.51 2.69 -0.33 3.92 0.20 -0.03 0.33 118.68 125.98 1x7p s LEU 130 Ca -0.05 -0.27 -0.01 0.00 0.69 0.00 0.00 54.13 54.48 1x7p s LEU 130 Cb -0.09 -1.57 0.07 0.00 -0.43 0.00 0.00 46.19 44.17 1x7p s LEU 130 CO -0.01 0.26 0.05 0.12 -0.29 0.00 0.00 176.35 176.48 1x7p s PHE 131 N -0.23 3.38 -0.60 5.38 5.36 0.82 -0.41 117.98 131.68 1x7p s PHE 131 Ca 0.01 -2.10 -0.27 0.00 -0.96 0.00 0.00 56.93 53.61 1x7p s PHE 131 Cb -0.13 -2.42 0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1x7p s PHE 131 CO 0.03 -0.86 1.14 0.34 -1.46 0.00 0.00 175.22 174.41 1x7p s ASP 132 N 1.35 6.36 -1.31 6.13 2.15 -0.10 -1.99 116.67 129.26 1x7p s ASP 132 Ca -0.01 -0.15 -0.06 0.00 0.43 0.00 0.00 52.55 52.76 1x7p s ASP 132 Cb -0.20 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 39.91 1x7p s ASP 132 CO -0.02 -1.48 1.11 0.54 -0.17 0.00 0.00 175.17 175.15 1x7p n ARG 133 N 8.32 -7.39 -1.99 4.34 1.74 -0.62 -3.12 116.66 117.94 1x7p n ARG 133 Ca 0.05 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.54 1x7p n ARG 133 Cb 0.48 -5.85 -0.02 0.00 -1.02 0.00 0.00 32.46 26.05 1x7p n ARG 133 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x7p s PRO 134 N -6.02 4.26 0.03 5.56 0.04 -1.26 -4.80 135.00 132.81 1x7p s PRO 134 Ca 0.39 2.33 0.23 0.00 0.04 0.00 0.00 61.00 63.99 1x7p s PRO 134 Cb -0.17 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1x7p s PRO 134 CO 0.74 -0.40 1.01 0.25 0.04 0.00 0.00 177.00 178.64 1x7p n THR 135 N 1.83 0.09 -3.53 1.26 -2.24 -1.26 -0.95 114.28 109.49 1x7p n THR 135 Ca 0.05 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1x7p n THR 135 Cb 0.40 0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.91 1x7p n THR 135 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x7p s SER 136 N -3.62 5.92 0.18 3.42 0.15 -1.26 -4.73 113.70 113.76 1x7p s SER 136 Ca 0.05 -0.93 -0.12 0.00 0.70 0.00 0.00 55.95 55.65 1x7p s SER 136 Cb 0.15 -2.09 0.09 0.00 -1.71 0.00 0.00 66.02 62.46 1x7p s SER 136 CO 0.81 -0.41 1.79 1.55 1.20 0.00 0.00 173.24 178.18 1x7p h PRO 137 N 8.53 0.87 -0.87 5.44 0.13 -1.90 -2.38 132.00 141.82 1x7p h PRO 137 Ca -0.26 -0.11 0.23 0.00 -0.87 0.00 0.00 66.00 64.99 1x7p h PRO 137 Cb 1.11 -0.17 -0.14 0.00 0.13 0.00 0.00 31.00 31.93 1x7p h PRO 137 CO 0.70 0.67 0.21 0.78 -0.23 0.00 0.00 178.00 180.13 1x7p h GLY 138 N 0.85 1.32 1.26 1.56 0.00 -1.93 -0.94 103.07 105.19 1x7p h GLY 138 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1x7p h GLY 138 CO -0.03 -0.37 -0.05 3.43 0.00 0.00 0.00 176.54 179.51 1x7p h ASN 139 N 0.19 0.87 -0.06 0.19 2.35 -1.79 -2.09 115.58 115.24 1x7p h ASN 139 Ca 0.54 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 56.07 1x7p h ASN 139 Cb 1.09 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 1x7p h ASN 139 CO -0.66 0.96 -0.08 0.40 -1.65 0.00 0.00 177.43 176.40 1x7p h ILE 140 N 0.81 0.76 -0.53 2.81 2.04 -0.96 -1.09 117.51 121.35 1x7p h ILE 140 Ca 0.14 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.07 1x7p h ILE 140 Cb 0.56 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 1x7p h ILE 140 CO 0.03 0.00 0.20 1.23 0.00 0.00 0.00 178.15 179.62 1x7p h GLY 141 N -0.12 0.73 0.86 5.37 0.00 -1.21 -1.42 103.07 107.28 1x7p h GLY 141 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1x7p h GLY 141 CO -0.13 0.01 0.37 1.76 0.00 0.00 0.00 176.54 178.56 1x7p h SER 142 N 0.39 0.61 -0.81 0.19 0.02 -1.07 -1.25 113.55 111.63 1x7p h SER 142 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1x7p h SER 142 Cb 0.28 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1x7p h SER 142 CO -0.25 0.42 0.47 0.40 -1.14 0.00 0.00 176.83 176.73 1x7p h ILE 143 N 0.73 1.23 -0.42 3.27 1.08 -0.18 -1.84 117.51 121.38 1x7p h ILE 143 Ca 0.25 -0.55 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 1x7p h ILE 143 Cb 0.03 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 1x7p h ILE 143 CO -0.11 0.25 0.15 0.40 -0.69 0.00 0.00 178.15 178.15 1x7p h ILE 144 N 1.12 1.21 -0.34 -0.67 2.04 -0.60 0.74 117.51 121.01 1x7p h ILE 144 Ca 0.29 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1x7p h ILE 144 Cb -0.01 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1x7p h ILE 144 CO -0.05 0.24 0.14 -0.09 0.00 0.00 0.00 178.15 178.39 1x7p h ARG 145 N 0.54 0.29 -0.40 2.37 2.43 -0.99 -0.46 114.38 118.16 1x7p h ARG 145 Ca 0.14 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1x7p h ARG 145 Cb 0.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1x7p h ARG 145 CO -0.01 0.19 -0.12 0.77 -1.51 0.00 0.00 179.97 179.29 1x7p h SER 146 N 0.30 0.81 -0.22 -3.80 0.02 -1.04 -0.99 113.55 108.63 1x7p h SER 146 Ca 0.15 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.61 1x7p h SER 146 Cb 0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1x7p h SER 146 CO -0.14 1.00 -0.28 0.00 -1.14 0.00 0.00 176.83 176.27 1x7p h ALA 147 N 0.84 0.87 -0.02 3.77 0.00 -0.65 -1.72 119.26 122.34 1x7p h ALA 147 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x7p h ALA 147 Cb 0.66 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x7p h ALA 147 CO 0.05 0.63 0.01 0.22 0.00 0.00 0.00 179.25 180.16 1x7p h ASP 148 N 0.61 0.03 0.46 0.00 3.58 -1.03 0.12 116.42 120.19 1x7p h ASP 148 Ca 0.07 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 1x7p h ASP 148 Cb 0.79 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1x7p h ASP 148 CO 0.07 0.10 -0.46 0.00 -2.88 0.00 0.00 179.24 176.07 1x7p h ALA 149 N 0.92 1.24 -0.50 -0.78 0.00 -0.98 -3.05 119.26 116.11 1x7p h ALA 149 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1x7p h ALA 149 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1x7p h ALA 149 CO -0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1x7p n LEU 150 N -3.99 4.90 -0.29 0.00 4.77 -0.67 -4.96 117.00 116.77 1x7p n LEU 150 Ca -0.02 -2.80 -0.04 0.00 -0.03 0.00 0.00 56.01 53.13 1x7p n LEU 150 Cb 0.48 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1x7p n LEU 150 CO 0.40 0.69 -0.04 0.61 -1.33 0.00 0.00 177.39 177.72 1x7p n GLY 151 N 0.43 0.65 3.73 -0.72 0.00 -1.14 -4.84 105.19 103.32 1x7p n GLY 151 Ca 0.25 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1x7p n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x7p s ALA 152 N -2.01 1.77 -0.40 4.61 0.00 0.41 -4.90 121.76 121.25 1x7p s ALA 152 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 51.96 52.15 1x7p s ALA 152 Cb 0.00 -3.22 -0.19 0.00 0.00 0.00 0.00 23.12 19.71 1x7p s ALA 152 CO 0.00 -2.17 0.49 0.72 0.00 0.00 0.00 175.76 174.81 1x7p n HIS 153 N -3.77 0.00 0.00 0.00 8.25 0.12 -4.58 115.22 115.25 1x7p n HIS 153 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1x7p n HIS 153 Cb 0.55 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1x7p n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x7p n GLY 154 N 1.47 0.92 3.26 -1.41 0.00 -1.26 -4.44 105.19 103.73 1x7p n GLY 154 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1x7p n GLY 154 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x7p s LEU 155 N 0.00 2.14 -0.16 0.99 2.96 -0.84 -1.72 118.68 122.05 1x7p s LEU 155 Ca 0.00 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1x7p s LEU 155 Cb 0.00 -1.04 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1x7p s LEU 155 CO 0.00 0.19 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.44 1x7p s ILE 156 N -0.74 2.64 -0.47 6.68 1.01 0.15 -1.43 121.20 129.05 1x7p s ILE 156 Ca 0.08 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1x7p s ILE 156 Cb -0.09 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.31 1x7p s ILE 156 CO 0.01 0.51 0.51 -0.69 0.00 0.00 0.00 174.94 175.28 1x7p s VAL 157 N 0.93 5.03 -0.03 2.92 1.01 -0.49 -0.13 120.40 129.64 1x7p s VAL 157 Ca -0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1x7p s VAL 157 Cb -0.15 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1x7p s VAL 157 CO -0.02 -0.63 0.27 0.00 0.00 0.00 0.00 175.10 174.72 1x7p s ALA 158 N 2.23 3.82 0.00 5.51 0.00 -0.84 -1.42 121.76 131.05 1x7p s ALA 158 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1x7p s ALA 158 Cb -0.20 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1x7p s ALA 158 CO 0.11 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.88 1x7p n GLY 159 N 1.53 -1.60 3.58 0.00 0.00 -0.74 -1.59 105.19 106.38 1x7p n GLY 159 Ca -0.14 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1x7p n GLY 159 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x7p s HIS 160 N 0.00 1.16 0.17 1.61 5.65 -1.26 -4.56 115.29 118.05 1x7p s HIS 160 Ca 0.00 0.93 0.02 0.00 0.25 0.00 0.00 55.06 56.26 1x7p s HIS 160 Cb 0.00 -3.81 -0.05 0.00 -1.18 0.00 0.00 32.58 27.55 1x7p s HIS 160 CO 0.00 -3.45 0.01 0.00 -0.65 0.00 0.00 174.74 170.66 1x7p s ALA 161 N 9.74 1.32 0.78 1.58 0.00 -1.26 -4.48 121.76 129.44 1x7p s ALA 161 Ca 0.98 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1x7p s ALA 161 Cb -0.26 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.51 1x7p s ALA 161 CO 0.31 -0.34 1.09 0.00 0.00 0.00 0.00 175.76 176.83 1x7p s ALA 162 N -3.70 2.23 -0.11 0.00 0.00 -0.12 -4.99 121.76 115.07 1x7p s ALA 162 Ca 0.25 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1x7p s ALA 162 Cb 0.06 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1x7p s ALA 162 CO 0.04 -1.79 0.81 0.34 0.00 0.00 0.00 175.76 175.15 1x7p s ASP 163 N -3.39 7.02 0.38 0.00 -1.08 -1.26 -4.93 116.67 113.41 1x7p s ASP 163 Ca 0.61 1.24 0.15 0.00 -0.52 0.00 0.00 52.55 54.03 1x7p s ASP 163 Cb -0.17 -2.45 1.00 0.00 -1.46 0.00 0.00 42.92 39.83 1x7p s ASP 163 CO 0.56 -0.29 1.81 0.58 0.52 0.00 0.00 175.17 178.36 1x7p h VAL 164 N 5.00 0.65 -0.19 1.11 2.07 -1.94 -2.18 116.25 120.76 1x7p h VAL 164 Ca -0.35 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1x7p h VAL 164 Cb 1.16 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1x7p h VAL 164 CO 0.80 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 177.26 1x7p n TYR 165 N -4.60 0.24 -1.74 1.57 4.01 -1.26 -4.08 117.16 111.30 1x7p n TYR 165 Ca 0.22 -0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 1x7p n TYR 165 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 1x7p n TYR 165 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1x7p n ASP 166 N 0.52 3.52 0.09 7.72 -0.08 -0.82 -4.80 116.55 122.70 1x7p n ASP 166 Ca 0.17 1.19 0.16 0.00 -1.51 0.00 0.00 54.79 54.80 1x7p n ASP 166 Cb 0.38 -1.57 0.69 0.00 2.34 0.00 0.00 41.12 42.96 1x7p n ASP 166 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x7p h PRO 167 N 3.52 0.00 -0.23 -0.67 0.13 -1.89 -1.14 132.00 131.72 1x7p h PRO 167 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1x7p h PRO 167 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1x7p h PRO 167 CO 0.69 0.00 -0.36 0.87 -0.23 0.00 0.00 178.00 178.98 1x7p h LYS 168 N 0.00 0.51 -0.02 0.86 1.57 -1.91 -0.60 116.57 116.97 1x7p h LYS 168 Ca 0.16 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1x7p h LYS 168 Cb 0.67 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1x7p h LYS 168 CO -0.00 0.80 -0.01 1.03 -0.57 0.00 0.00 179.45 180.69 1x7p h SER 169 N 0.43 0.05 0.62 0.86 0.87 -1.34 -2.47 113.55 112.57 1x7p h SER 169 Ca 0.05 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1x7p h SER 169 Cb 0.82 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1x7p h SER 169 CO 0.07 0.48 -0.47 0.58 -0.53 0.00 0.00 176.83 176.96 1x7p h VAL 170 N -0.37 0.07 -0.61 2.23 2.07 -1.24 -1.40 116.25 117.00 1x7p h VAL 170 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1x7p h VAL 170 Cb 0.46 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.19 1x7p h VAL 170 CO 0.00 0.00 -0.34 -0.09 0.02 0.00 0.00 177.57 177.17 1x7p h ARG 171 N -1.05 -0.15 0.00 1.57 2.43 -1.23 -2.74 114.38 113.22 1x7p h ARG 171 Ca -0.08 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1x7p h ARG 171 Cb 0.87 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1x7p h ARG 171 CO 0.02 -0.10 0.00 0.66 -1.51 0.00 0.00 179.97 179.04 1x7p h SER 172 N -0.15 0.00 0.48 -3.80 4.64 -1.32 -2.04 113.55 111.35 1x7p h SER 172 Ca 0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1x7p h SER 172 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1x7p h SER 172 CO -0.69 0.00 -0.22 0.77 -0.87 0.00 0.00 176.83 175.82 1x7p h SER 173 N 0.00 0.00 -3.48 4.97 4.64 -0.95 -3.36 113.55 115.38 1x7p h SER 173 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1x7p h SER 173 Cb 0.73 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1x7p h SER 173 CO 0.00 0.22 -0.53 0.41 -0.87 0.00 0.00 176.83 176.05 1x7p n THR 174 N -3.73 -1.41 -0.05 2.95 -1.04 -0.77 -2.08 114.28 108.14 1x7p n THR 174 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1x7p n THR 174 Cb 0.33 -3.07 0.00 0.00 -1.82 0.00 0.00 70.33 65.77 1x7p n THR 174 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x7p n GLY 175 N -1.25 1.18 0.29 3.41 0.00 -1.26 -4.83 105.19 102.73 1x7p n GLY 175 Ca -0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.02 1x7p n GLY 175 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x7p h SER 176 N 0.00 0.00 -0.98 1.61 0.02 -1.78 -2.93 113.55 109.50 1x7p h SER 176 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.13 1x7p h SER 176 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1x7p h SER 176 CO 0.00 0.05 0.61 0.25 -1.14 0.00 0.00 176.83 176.61 1x7p h LEU 177 N 0.00 0.70 -0.06 5.07 5.85 -1.81 0.71 115.31 125.77 1x7p h LEU 177 Ca -0.00 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1x7p h LEU 177 Cb 0.24 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1x7p h LEU 177 CO 0.01 0.28 -0.51 -0.26 -0.34 0.00 0.00 178.44 177.61 1x7p h PHE 178 N 0.70 0.00 0.00 1.25 0.04 -1.88 -3.31 116.94 113.74 1x7p h PHE 178 Ca 0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 1x7p h PHE 178 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1x7p h PHE 178 CO -0.00 0.51 -1.65 -1.13 -0.60 0.00 0.00 178.31 175.44 1x7p n SER 179 N -3.25 0.29 -4.06 2.17 3.41 -0.75 -4.82 113.62 106.60 1x7p n SER 179 Ca 0.02 -0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 1x7p n SER 179 Cb 0.73 1.53 -0.15 0.00 -0.26 0.00 0.00 64.21 66.06 1x7p n SER 179 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x7p s LEU 180 N -4.51 3.51 -0.20 1.04 1.98 0.17 -5.07 118.68 115.60 1x7p s LEU 180 Ca -0.04 -1.44 -0.29 0.00 -2.89 0.00 0.00 54.13 49.47 1x7p s LEU 180 Cb 0.13 -1.55 -0.04 0.00 0.66 0.00 0.00 46.19 45.40 1x7p s LEU 180 CO 0.87 -0.20 1.90 -2.16 -1.89 0.00 0.00 176.35 174.87 1x7p s PRO 181 N 1.09 3.54 -0.27 0.98 0.04 -1.26 -4.58 135.00 134.54 1x7p s PRO 181 Ca -0.08 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1x7p s PRO 181 Cb -0.20 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 1x7p s PRO 181 CO -0.05 -1.62 0.26 0.00 0.04 0.00 0.00 177.00 175.63 1x7p s ALA 182 N 6.43 3.55 -0.12 8.56 0.00 -1.26 -1.98 121.76 136.93 1x7p s ALA 182 Ca 0.85 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1x7p s ALA 182 Cb -0.30 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1x7p s ALA 182 CO 0.34 -0.57 -0.12 0.08 0.00 0.00 0.00 175.76 175.49 1x7p s VAL 183 N 1.84 3.20 -0.16 0.00 1.01 -0.51 -5.00 120.40 120.79 1x7p s VAL 183 Ca 0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1x7p s VAL 183 Cb -0.16 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1x7p s VAL 183 CO 0.10 0.53 0.30 -0.13 0.00 0.00 0.00 175.10 175.91 1x7p s ARG 184 N 0.20 4.25 -0.35 2.72 0.52 -1.26 -1.40 118.95 123.63 1x7p s ARG 184 Ca -0.07 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1x7p s ARG 184 Cb -0.15 -3.42 0.14 0.00 0.52 0.00 0.00 34.95 32.04 1x7p s ARG 184 CO 0.05 0.24 0.22 0.14 0.02 0.00 0.00 175.30 175.97 1x7p s VAL 185 N 0.46 0.08 0.31 3.52 -7.23 -0.51 -4.85 120.40 112.17 1x7p s VAL 185 Ca 0.17 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1x7p s VAL 185 Cb -0.13 -1.06 0.38 0.00 0.56 0.00 0.00 36.38 36.13 1x7p s VAL 185 CO 0.04 -0.94 1.47 -2.65 -0.31 0.00 0.00 175.10 172.71 1x7p n PRO 186 N 4.09 -0.07 -4.04 4.82 -0.02 -1.26 -1.79 135.00 136.73 1x7p n PRO 186 Ca 0.12 1.38 -0.36 0.00 -2.02 0.00 0.00 63.50 62.62 1x7p n PRO 186 Cb 0.38 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 1x7p n PRO 186 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1x7p s SER 187 N -4.89 5.86 0.36 2.55 1.04 -1.26 -3.09 113.70 114.27 1x7p s SER 187 Ca -0.11 0.26 0.27 0.00 0.48 0.00 0.00 55.95 56.85 1x7p s SER 187 Cb 0.29 -1.87 0.86 0.00 0.10 0.00 0.00 66.02 65.39 1x7p s SER 187 CO 0.73 0.33 1.77 1.55 0.98 0.00 0.00 173.24 178.60 1x7p h PRO 188 N 5.57 0.00 -0.21 4.02 0.13 -1.99 -3.07 132.00 136.45 1x7p h PRO 188 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1x7p h PRO 188 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x7p h PRO 188 CO 0.61 0.00 -0.44 0.78 -0.23 0.00 0.00 178.00 178.73 1x7p h GLY 189 N 3.28 0.57 1.82 1.56 0.00 -1.96 -2.87 103.07 105.46 1x7p h GLY 189 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 1x7p h GLY 189 CO 0.00 0.53 -0.37 -2.09 0.00 0.00 0.00 176.54 174.61 1x7p h GLU 190 N 0.43 0.21 -0.60 4.80 4.81 -1.94 -2.55 114.58 119.73 1x7p h GLU 190 Ca 0.03 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1x7p h GLU 190 Cb 0.94 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1x7p h GLU 190 CO 0.08 0.56 0.07 0.28 -0.73 0.00 0.00 179.01 179.27 1x7p h VAL 191 N 0.18 1.26 -0.19 0.32 2.07 -1.60 -3.02 116.25 115.28 1x7p h VAL 191 Ca 0.02 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1x7p h VAL 191 Cb 0.75 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1x7p h VAL 191 CO 0.06 0.39 -0.21 0.24 0.02 0.00 0.00 177.57 178.06 1x7p h MET 192 N 0.92 0.33 -0.48 1.57 2.86 -1.28 -1.19 114.93 117.66 1x7p h MET 192 Ca 0.18 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1x7p h MET 192 Cb 0.47 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1x7p h MET 192 CO 0.02 0.53 0.08 -0.44 1.06 0.00 0.00 176.91 178.15 1x7p h ASP 193 N 0.30 0.77 -0.07 1.22 3.32 -1.42 -0.74 116.42 119.79 1x7p h ASP 193 Ca 0.05 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1x7p h ASP 193 Cb 0.54 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1x7p h ASP 193 CO 0.04 0.83 0.01 -0.25 -1.72 0.00 0.00 179.24 178.15 1x7p h TRP 194 N 0.67 0.14 -0.17 4.55 7.01 -1.38 -2.07 115.95 124.70 1x7p h TRP 194 Ca 0.15 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.15 1x7p h TRP 194 Cb 0.39 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 1x7p h TRP 194 CO 0.03 0.37 -0.01 0.28 -2.79 0.00 0.00 178.44 176.32 1x7p h VAL 195 N -0.14 0.87 -0.27 2.65 2.07 -1.16 0.73 116.25 120.99 1x7p h VAL 195 Ca 0.02 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1x7p h VAL 195 Cb 0.31 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1x7p h VAL 195 CO 0.00 0.01 0.08 -0.33 0.02 0.00 0.00 177.57 177.35 1x7p h GLU 196 N 0.04 0.38 -0.11 1.57 4.39 -1.16 -0.59 114.58 119.11 1x7p h GLU 196 Ca 0.08 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.53 1x7p h GLU 196 Cb 0.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1x7p h GLU 196 CO -0.14 0.35 -0.74 0.00 -1.16 0.00 0.00 179.01 177.31 1x7p h ALA 197 N 1.71 0.49 -0.58 3.43 0.00 -0.59 -2.26 119.26 121.46 1x7p h ALA 197 Ca 0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1x7p h ALA 197 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1x7p h ALA 197 CO -0.01 0.73 0.17 0.00 0.00 0.00 0.00 179.25 180.14 1x7p h ARG 198 N 0.39 0.87 -0.63 0.00 2.47 -0.29 -2.45 114.38 114.75 1x7p h ARG 198 Ca -0.04 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.49 1x7p h ARG 198 Cb 1.34 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.49 1x7p h ARG 198 CO 0.14 0.76 0.27 0.00 0.56 0.00 0.00 179.97 181.71 1x7p h ARG 199 N 0.85 0.91 -0.19 0.04 3.08 -0.93 -3.06 114.38 115.07 1x7p h ARG 199 Ca 0.19 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1x7p h ARG 199 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1x7p h ARG 199 CO -0.01 0.72 -0.33 0.00 -1.07 0.00 0.00 179.97 179.29 1x7p h ALA 200 N 1.40 1.08 -1.85 0.04 0.00 -0.92 -3.28 119.26 115.73 1x7p h ALA 200 Ca 0.22 -0.38 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 1x7p h ALA 200 Cb 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 1x7p h ALA 200 CO -0.02 0.58 0.65 0.00 0.00 0.00 0.00 179.25 180.46 1x7p s ALA 201 N -4.34 3.19 -0.33 0.00 0.00 -1.13 -4.90 121.76 114.26 1x7p s ALA 201 Ca -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1x7p s ALA 201 Cb 0.13 -3.72 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1x7p s ALA 201 CO 0.79 -2.19 1.15 0.41 0.00 0.00 0.00 175.76 175.92 1x7p n GLY 202 N 4.97 -0.17 2.72 0.00 0.00 -1.24 -4.80 105.19 106.66 1x7p n GLY 202 Ca 0.06 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1x7p n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x7p s THR 203 N 0.00 -0.27 -1.26 2.61 2.01 -1.22 -4.99 115.64 112.52 1x7p s THR 203 Ca 0.44 -1.15 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 1x7p s THR 203 Cb -0.28 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1x7p s THR 203 CO 0.19 -0.64 2.03 -0.81 -0.69 0.00 0.00 174.62 174.69 1x7p n PRO 204 N 4.10 2.56 -2.00 4.92 -0.04 -1.26 -3.86 135.00 139.43 1x7p n PRO 204 Ca 0.13 -2.61 -0.42 0.00 -0.04 0.00 0.00 63.50 60.56 1x7p n PRO 204 Cb 0.45 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 1x7p n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x7p s ILE 205 N 4.49 2.94 -0.10 0.52 1.01 -1.26 -4.55 121.20 124.25 1x7p s ILE 205 Ca 0.53 0.59 -0.03 0.00 0.00 0.00 0.00 60.65 61.74 1x7p s ILE 205 Cb 0.10 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1x7p s ILE 205 CO 0.01 0.03 0.01 0.68 0.00 0.00 0.00 174.94 175.67 1x7p s VAL 206 N 1.61 4.40 -0.18 2.92 -7.23 -0.78 -4.98 120.40 116.16 1x7p s VAL 206 Ca 0.70 -0.21 -0.22 0.00 -1.81 0.00 0.00 61.98 60.44 1x7p s VAL 206 Cb -0.41 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 1x7p s VAL 206 CO 0.31 0.58 0.69 -0.76 -0.31 0.00 0.00 175.10 175.61 1x7p s LEU 207 N -0.66 4.16 -0.34 1.32 1.43 -1.26 -1.91 118.68 121.41 1x7p s LEU 207 Ca 0.11 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1x7p s LEU 207 Cb -0.12 -3.00 0.10 0.00 0.03 0.00 0.00 46.19 43.21 1x7p s LEU 207 CO 0.02 -0.30 0.05 -0.69 0.23 0.00 0.00 176.35 175.66 1x7p s VAL 208 N 1.92 2.35 0.72 -1.59 1.01 -0.36 -1.75 120.40 122.72 1x7p s VAL 208 Ca 0.32 -2.28 -0.13 0.00 0.00 0.00 0.00 61.98 59.89 1x7p s VAL 208 Cb -0.16 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1x7p s VAL 208 CO 0.11 -0.57 1.11 -0.83 0.00 0.00 0.00 175.10 174.92 1x7p s GLY 209 N 0.98 1.94 0.04 4.51 0.00 -0.31 -0.87 107.32 113.62 1x7p s GLY 209 Ca 0.09 0.44 0.07 0.00 0.00 0.00 0.00 44.72 45.32 1x7p s GLY 209 CO -0.07 0.79 -0.20 -0.51 0.00 0.00 0.00 173.10 173.11 1x7p s THR 210 N -2.58 1.63 -0.26 0.90 -4.23 -0.94 -1.26 115.64 108.89 1x7p s THR 210 Ca 0.65 -1.15 -0.26 0.00 -1.18 0.00 0.00 61.69 59.74 1x7p s THR 210 Cb -0.19 -1.41 0.14 0.00 1.34 0.00 0.00 72.50 72.37 1x7p s THR 210 CO 0.49 0.22 1.10 -0.62 -0.54 0.00 0.00 174.62 175.26 1x7p s ASP 211 N -1.10 -0.37 0.46 3.99 -1.08 -0.64 -4.67 116.67 113.26 1x7p s ASP 211 Ca 0.07 0.65 0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1x7p s ASP 211 Cb -0.09 0.64 1.34 0.00 -1.46 0.00 0.00 42.92 43.35 1x7p s ASP 211 CO 0.01 -0.16 1.76 -0.33 0.52 0.00 0.00 175.17 176.97 1x7p h GLU 212 N 3.69 0.18 -0.12 4.34 3.07 -1.92 -2.82 114.58 121.01 1x7p h GLU 212 Ca -0.26 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.47 1x7p h GLU 212 Cb 1.18 -0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.89 1x7p h GLU 212 CO 0.16 0.12 -0.68 0.72 -1.40 0.00 0.00 179.01 177.93 1x7p n HIS 213 N -4.44 0.42 -0.66 4.33 8.25 -1.26 -4.79 115.22 117.07 1x7p n HIS 213 Ca 0.27 -1.42 -0.30 0.00 -0.26 0.00 0.00 57.72 56.01 1x7p n HIS 213 Cb 1.13 -0.24 0.27 0.00 1.12 0.00 0.00 29.99 32.26 1x7p n HIS 213 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1x7p s GLY 214 N -3.06 1.49 0.00 -1.41 0.00 -1.06 -4.95 107.32 98.32 1x7p s GLY 214 Ca 0.38 -0.85 0.24 0.00 0.00 0.00 0.00 44.72 44.49 1x7p s GLY 214 CO -0.07 0.10 1.62 1.22 0.00 0.00 0.00 173.10 175.97 1x7p n ASP 215 N -5.28 1.67 -3.59 1.64 10.43 -1.09 -4.83 116.55 115.50 1x7p n ASP 215 Ca 0.13 -1.64 -0.01 0.00 2.57 0.00 0.00 54.79 55.84 1x7p n ASP 215 Cb 0.60 -0.06 -0.04 0.00 1.84 0.00 0.00 41.12 43.45 1x7p n ASP 215 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1x7p n ASP 217 N 5.23 3.48 0.24 0.00 8.00 -1.26 -1.39 116.55 130.85 1x7p n ASP 217 Ca -0.12 1.16 0.07 0.00 0.71 0.00 0.00 54.79 56.61 1x7p n ASP 217 Cb 0.51 -1.61 0.59 0.00 -0.02 0.00 0.00 41.12 40.58 1x7p n ASP 217 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1x7p h VAL 218 N 2.52 1.04 -0.00 2.53 3.04 -1.50 -1.74 116.25 122.15 1x7p h VAL 218 Ca -0.51 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1x7p h VAL 218 Cb 1.26 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1x7p h VAL 218 CO 0.62 0.06 -0.20 2.22 -1.01 0.00 0.00 177.57 179.26 1x7p n PHE 219 N -4.47 0.00 1.17 3.17 -1.74 -1.26 -3.20 117.46 111.14 1x7p n PHE 219 Ca -0.03 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.98 1x7p n PHE 219 Cb 0.14 -0.35 0.38 0.00 1.52 0.00 0.00 39.48 41.16 1x7p n PHE 219 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1x7p n ASP 220 N -1.39 1.93 -4.82 5.98 8.00 -0.65 -4.95 116.55 120.65 1x7p n ASP 220 Ca 0.08 -1.71 -0.29 0.00 0.71 0.00 0.00 54.79 53.58 1x7p n ASP 220 Cb 0.32 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1x7p n ASP 220 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1x7p s PHE 221 N -1.83 3.26 -1.02 1.24 5.36 -1.19 -5.00 117.98 118.81 1x7p s PHE 221 Ca 0.34 0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 56.25 1x7p s PHE 221 Cb 0.19 -1.63 0.16 0.00 -0.34 0.00 0.00 43.02 41.40 1x7p s PHE 221 CO 0.29 0.53 1.19 0.34 -1.46 0.00 0.00 175.22 176.11 1x7p s ASP 222 N -2.60 6.82 0.00 6.13 2.15 -1.26 -4.84 116.67 123.07 1x7p s ASP 222 Ca 0.31 -2.49 0.11 0.00 0.43 0.00 0.00 52.55 50.91 1x7p s ASP 222 Cb -0.12 -2.37 0.65 0.00 -0.30 0.00 0.00 42.92 40.78 1x7p s ASP 222 CO 0.24 -0.87 1.23 0.49 -0.17 0.00 0.00 175.17 176.09 1x7p n PHE 223 N 5.79 0.00 0.86 -5.34 3.72 -1.26 -3.05 117.46 118.18 1x7p n PHE 223 Ca 0.27 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.80 1x7p n PHE 223 Cb 0.46 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.54 1x7p n PHE 223 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1x7p n THR 224 N -0.73 0.24 -2.24 4.37 -2.24 -1.26 -4.80 114.28 107.61 1x7p n THR 224 Ca 0.08 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 1x7p n THR 224 Cb 0.04 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1x7p n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x7p s GLN 225 N -3.03 3.58 0.11 -0.78 -2.07 -1.17 -4.94 119.66 111.36 1x7p s GLN 225 Ca 0.12 0.50 -0.32 0.00 -1.82 0.00 0.00 55.36 53.84 1x7p s GLN 225 Cb 0.16 -2.22 -0.11 0.00 -1.09 0.00 0.00 33.01 29.75 1x7p s GLN 225 CO 0.53 -0.39 1.79 -0.35 -1.32 0.00 0.00 175.29 175.55 1x7p n PRO 226 N -2.48 2.62 -3.97 9.60 -0.04 -1.26 -4.78 135.00 134.69 1x7p n PRO 226 Ca 0.03 0.95 -0.17 0.00 -0.04 0.00 0.00 63.50 64.27 1x7p n PRO 226 Cb 0.54 -2.82 -0.16 0.00 -0.04 0.00 0.00 33.50 31.03 1x7p n PRO 226 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x7p s THR 227 N 2.43 0.23 -0.33 0.52 2.01 -0.25 -1.86 115.64 118.39 1x7p s THR 227 Ca 0.82 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.79 1x7p s THR 227 Cb -0.54 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 71.69 1x7p s THR 227 CO 0.38 0.15 0.11 -0.22 -0.69 0.00 0.00 174.62 174.36 1x7p s LEU 228 N 0.95 4.25 -0.31 4.42 2.96 -0.80 -1.14 118.68 129.00 1x7p s LEU 228 Ca -0.10 -1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 52.59 1x7p s LEU 228 Cb -0.13 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1x7p s LEU 228 CO -0.01 -0.30 0.62 -0.22 -1.32 0.00 0.00 176.35 175.11 1x7p s LEU 229 N 1.44 4.16 -0.25 -0.68 2.96 -0.46 -1.22 118.68 124.63 1x7p s LEU 229 Ca -0.00 0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 54.12 1x7p s LEU 229 Cb -0.19 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 1x7p s LEU 229 CO 0.03 -0.48 0.49 -0.76 -1.32 0.00 0.00 176.35 174.32 1x7p s LEU 230 N 2.58 4.07 -0.16 -0.68 1.43 -0.05 -0.85 118.68 125.02 1x7p s LEU 230 Ca 0.24 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1x7p s LEU 230 Cb -0.15 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1x7p s LEU 230 CO 0.12 -0.25 -0.07 -0.63 0.23 0.00 0.00 176.35 175.74 1x7p s ILE 231 N 2.16 3.45 0.78 -0.59 -1.09 0.46 -2.20 121.20 124.16 1x7p s ILE 231 Ca 0.21 -0.51 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 1x7p s ILE 231 Cb -0.16 -2.50 0.10 0.00 -1.58 0.00 0.00 42.46 38.33 1x7p s ILE 231 CO 0.09 0.49 1.11 -0.83 -1.23 0.00 0.00 174.94 174.57 1x7p s GLY 232 N 0.60 1.70 0.94 6.18 0.00 -1.26 -0.92 107.32 114.56 1x7p s GLY 232 Ca -0.05 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.50 1x7p s GLY 232 CO 0.03 -0.52 0.54 0.70 0.00 0.00 0.00 173.10 173.84 1x7p n ASN 233 N -3.17 -1.64 -0.07 1.64 3.02 -0.93 -4.71 115.26 109.40 1x7p n ASN 233 Ca 0.11 0.35 -0.12 0.00 -0.03 0.00 0.00 54.58 54.89 1x7p n ASN 233 Cb 0.60 -1.25 0.01 0.00 -0.61 0.00 0.00 39.78 38.52 1x7p n ASN 233 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1x7p h GLU 234 N -1.59 0.79 0.00 3.52 3.07 -1.91 -3.40 114.58 115.07 1x7p h GLU 234 Ca -0.43 -0.46 -0.32 0.00 -0.50 0.00 0.00 59.36 57.65 1x7p h GLU 234 Cb 1.28 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.17 1x7p h GLU 234 CO 0.36 1.09 -2.18 0.25 -1.40 0.00 0.00 179.01 177.13 1x7p n THR 235 N -4.02 1.18 -2.53 1.13 -2.24 -1.26 -4.94 114.28 101.60 1x7p n THR 235 Ca -0.03 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 1x7p n THR 235 Cb 0.58 -1.35 0.03 0.00 -2.10 0.00 0.00 70.33 67.49 1x7p n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x7p s ALA 236 N -2.41 3.44 0.14 6.98 0.00 -1.26 -5.11 121.76 123.55 1x7p s ALA 236 Ca -0.28 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1x7p s ALA 236 Cb 0.08 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1x7p s ALA 236 CO 0.45 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1x7p n GLY 237 N -2.48 1.02 3.76 0.00 0.00 -1.26 -3.51 105.19 102.71 1x7p n GLY 237 Ca 0.04 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1x7p n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x7p s LEU 238 N 0.00 3.91 0.96 0.99 1.43 -1.26 -2.20 118.68 122.52 1x7p s LEU 238 Ca 0.00 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.50 1x7p s LEU 238 Cb 0.00 -4.29 0.17 0.00 0.03 0.00 0.00 46.19 42.10 1x7p s LEU 238 CO 0.00 -1.26 1.12 -0.94 0.23 0.00 0.00 176.35 175.51 1x7p s SER 239 N -1.21 2.52 0.38 2.29 1.04 -1.26 -4.84 113.70 112.61 1x7p s SER 239 Ca 0.68 2.06 0.21 0.00 0.48 0.00 0.00 55.95 59.38 1x7p s SER 239 Cb -0.34 -2.52 0.52 0.00 0.10 0.00 0.00 66.02 63.79 1x7p s SER 239 CO 0.40 -3.34 1.65 -1.13 0.98 0.00 0.00 173.24 171.81 1x7p h ASN 240 N -2.03 0.00 0.27 7.02 -0.73 -1.99 -2.68 115.58 115.44 1x7p h ASN 240 Ca -0.47 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.66 1x7p h ASN 240 Cb 1.28 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 1x7p h ASN 240 CO 0.43 0.29 -0.22 0.00 -0.37 0.00 0.00 177.43 177.56 1x7p h ALA 241 N 1.71 1.53 0.03 1.57 0.00 -2.01 -2.85 119.26 119.23 1x7p h ALA 241 Ca -0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.43 1x7p h ALA 241 Cb 1.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1x7p h ALA 241 CO 0.04 0.28 -1.48 -1.49 0.00 0.00 0.00 179.25 176.59 1x7p h TRP 242 N 0.00 0.10 -0.08 0.00 4.06 -1.84 -3.30 115.95 114.89 1x7p h TRP 242 Ca -0.00 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.83 1x7p h TRP 242 Cb 0.42 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1x7p h TRP 242 CO 0.00 1.10 -0.18 0.00 -3.56 0.00 0.00 178.44 175.80 1x7p h ARG 243 N 0.01 0.12 -0.19 0.49 3.08 -1.46 -2.63 114.38 113.80 1x7p h ARG 243 Ca -0.20 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.64 1x7p h ARG 243 Cb 1.94 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 1x7p h ARG 243 CO 0.11 0.31 -0.61 1.15 -1.07 0.00 0.00 179.97 179.86 1x7p h THR 244 N 0.12 1.31 -0.00 2.04 2.02 -1.62 -3.21 112.91 113.57 1x7p h THR 244 Ca 0.02 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1x7p h THR 244 Cb 0.40 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1x7p h THR 244 CO 0.03 0.58 -0.11 0.18 0.37 0.00 0.00 175.52 176.56 1x7p n LEU 245 N -3.95 0.27 -4.73 2.58 4.77 -1.14 -4.82 117.00 109.97 1x7p n LEU 245 Ca -0.04 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 1x7p n LEU 245 Cb 0.65 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1x7p n LEU 245 CO 0.49 0.05 0.82 0.00 -1.33 0.00 0.00 177.39 177.42 1x7p h ASP 247 N 5.46 0.73 -5.07 0.00 3.32 -1.66 -3.47 116.42 115.74 1x7p h ASP 247 Ca -0.44 -0.67 -0.15 0.00 0.02 0.00 0.00 57.03 55.79 1x7p h ASP 247 Cb 1.21 -0.22 -0.19 0.00 0.22 0.00 0.00 39.33 40.36 1x7p h ASP 247 CO 0.74 1.29 -0.65 -0.31 -1.72 0.00 0.00 179.24 178.60 1x7p s TYR 248 N -3.56 0.31 -0.11 4.55 2.02 -1.15 -5.07 117.35 114.33 1x7p s TYR 248 Ca -0.12 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 55.94 1x7p s TYR 248 Cb 0.06 -0.23 0.02 0.00 -0.40 0.00 0.00 41.96 41.42 1x7p s TYR 248 CO 0.86 -0.28 -0.11 -0.08 -1.57 0.00 0.00 175.55 174.37 1x7p s THR 249 N -2.32 1.25 0.21 -0.71 -1.32 -1.26 -1.16 115.64 110.33 1x7p s THR 249 Ca -0.08 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.02 1x7p s THR 249 Cb -0.03 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1x7p s THR 249 CO -0.04 0.40 -0.01 0.68 -2.21 0.00 0.00 174.62 173.44 1x7p s VAL 250 N 1.32 3.54 0.02 5.08 -7.23 -0.39 -2.68 120.40 120.07 1x7p s VAL 250 Ca -0.01 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1x7p s VAL 250 Cb -0.14 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1x7p s VAL 250 CO -0.05 -0.22 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.54 1x7p s SER 251 N -3.25 0.31 -0.22 4.85 1.04 -0.49 -1.62 113.70 114.33 1x7p s SER 251 Ca 0.29 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 56.12 1x7p s SER 251 Cb -0.08 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1x7p s SER 251 CO 0.19 -0.21 0.58 -0.63 0.98 0.00 0.00 173.24 174.14 1x7p s ILE 252 N -1.12 5.05 0.30 -1.02 1.01 -1.26 -1.20 121.20 122.95 1x7p s ILE 252 Ca -0.11 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1x7p s ILE 252 Cb -0.08 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 1x7p s ILE 252 CO -0.01 0.11 1.44 -2.65 0.00 0.00 0.00 174.94 173.83 1x7p n PRO 253 N 5.21 2.33 -4.40 2.79 -0.02 -1.26 -4.94 135.00 134.71 1x7p n PRO 253 Ca -0.03 0.83 -0.26 0.00 -2.02 0.00 0.00 63.50 62.02 1x7p n PRO 253 Cb 0.50 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 1x7p n PRO 253 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1x7p s MET 254 N -1.05 1.73 0.14 -0.52 1.75 -1.26 -5.06 119.30 115.02 1x7p s MET 254 Ca 0.62 -1.54 -0.07 0.00 -1.25 0.00 0.00 55.69 53.45 1x7p s MET 254 Cb -0.56 -1.91 -0.05 0.00 2.84 0.00 0.00 34.83 35.15 1x7p s MET 254 CO 0.55 0.38 1.36 0.00 -0.65 0.00 0.00 175.02 176.66 1x7p h ALA 255 N 2.78 0.44 -2.95 4.11 0.00 -1.94 -3.49 119.26 118.22 1x7p h ALA 255 Ca -0.44 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 53.72 1x7p h ALA 255 Cb 1.22 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1x7p h ALA 255 CO 0.53 0.73 0.02 0.20 0.00 0.00 0.00 179.25 180.73 1x7p s GLY 256 N -4.23 0.88 0.14 0.00 0.00 -1.26 -5.05 107.32 97.80 1x7p s GLY 256 Ca -0.08 -1.10 -0.18 0.00 0.00 0.00 0.00 44.72 43.36 1x7p s GLY 256 CO 0.87 -0.65 1.77 1.76 0.00 0.00 0.00 173.10 176.85 1x7p h SER 257 N 2.08 0.19 0.90 1.64 0.02 -2.05 -3.13 113.55 113.18 1x7p h SER 257 Ca -0.29 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1x7p h SER 257 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1x7p h SER 257 CO 0.38 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 1x7p h ALA 258 N 1.15 1.00 -2.54 3.77 0.00 -2.03 -3.45 119.26 117.16 1x7p h ALA 258 Ca 0.11 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.48 1x7p h ALA 258 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1x7p h ALA 258 CO -0.09 0.00 -0.08 -1.12 0.00 0.00 0.00 179.25 177.97 1x7p s SER 259 N -5.33 6.74 0.32 0.00 0.01 -1.19 -5.10 113.70 109.14 1x7p s SER 259 Ca 0.01 1.03 -0.15 0.00 1.31 0.00 0.00 55.95 58.15 1x7p s SER 259 Cb 0.09 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 64.08 1x7p s SER 259 CO 0.50 -0.00 0.67 -0.94 0.41 0.00 0.00 173.24 173.87 1x7p s SER 260 N -2.05 0.01 0.07 2.44 1.04 -1.26 -4.86 113.70 109.09 1x7p s SER 260 Ca 0.44 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.94 1x7p s SER 260 Cb -0.13 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1x7p s SER 260 CO 0.20 -1.42 -0.01 -0.76 0.98 0.00 0.00 173.24 172.23 1x7p s LEU 261 N -3.03 3.43 0.53 2.42 1.43 -1.26 -5.11 118.68 117.09 1x7p s LEU 261 Ca 0.17 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 1x7p s LEU 261 Cb -0.04 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1x7p s LEU 261 CO 0.11 0.20 1.25 0.21 0.23 0.00 0.00 176.35 178.34 1x7p s ASN 262 N -2.14 5.57 0.14 2.29 2.47 -1.26 -4.85 114.94 117.15 1x7p s ASN 262 Ca 0.24 2.49 -0.20 0.00 0.42 0.00 0.00 52.86 55.81 1x7p s ASN 262 Cb -0.12 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.08 1x7p s ASN 262 CO 0.16 -1.35 1.68 0.00 -3.72 0.00 0.00 177.10 173.87 1x7p h ALA 263 N 1.50 0.07 -0.53 1.71 0.00 -1.91 -0.91 119.26 119.19 1x7p h ALA 263 Ca -0.50 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1x7p h ALA 263 Cb 1.28 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1x7p h ALA 263 CO 0.58 -0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.35 1x7p h ALA 264 N 1.09 1.12 -0.20 0.00 0.00 -1.93 -1.59 119.26 117.75 1x7p h ALA 264 Ca 0.12 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1x7p h ALA 264 Cb 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x7p h ALA 264 CO -0.28 0.58 -0.21 -0.91 0.00 0.00 0.00 179.25 178.42 1x7p h ASN 265 N 0.80 0.53 -0.78 0.00 -0.26 -1.87 -2.02 115.58 111.99 1x7p h ASN 265 Ca 0.16 -0.49 -0.02 0.00 -0.56 0.00 0.00 56.30 55.39 1x7p h ASN 265 Cb 0.40 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 1x7p h ASN 265 CO 0.01 0.91 0.39 0.00 -1.06 0.00 0.00 177.43 177.68 1x7p h ALA 266 N 0.64 1.00 -0.20 -0.83 0.00 -1.10 -2.41 119.26 116.36 1x7p h ALA 266 Ca 0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1x7p h ALA 266 Cb 0.77 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1x7p h ALA 266 CO 0.05 0.54 -0.71 0.00 0.00 0.00 0.00 179.25 179.14 1x7p h ALA 267 N 1.20 0.35 -0.54 0.00 0.00 -1.28 -2.23 119.26 116.75 1x7p h ALA 267 Ca 0.27 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1x7p h ALA 267 Cb 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1x7p h ALA 267 CO -0.04 0.68 0.13 1.15 0.00 0.00 0.00 179.25 181.17 1x7p h THR 268 N 0.58 0.71 -0.38 0.00 2.02 -1.28 -0.54 112.91 114.02 1x7p h THR 268 Ca -0.03 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1x7p h THR 268 Cb 1.33 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1x7p h THR 268 CO 0.15 0.05 -0.07 0.00 0.37 0.00 0.00 175.52 176.01 1x7p h ALA 269 N 1.42 1.16 0.00 6.16 0.00 -1.14 -0.33 119.26 126.53 1x7p h ALA 269 Ca 0.28 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1x7p h ALA 269 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x7p h ALA 269 CO -0.34 0.54 -0.22 0.82 0.00 0.00 0.00 179.25 180.04 1x7p h ILE 270 N 0.60 1.57 -0.96 0.00 2.04 -1.13 -1.39 117.51 118.24 1x7p h ILE 270 Ca 0.11 -1.99 0.19 0.00 1.00 0.00 0.00 64.86 64.18 1x7p h ILE 270 Cb 0.49 2.84 -0.11 0.00 -0.74 0.00 0.00 36.82 39.30 1x7p h ILE 270 CO 0.03 0.54 0.55 -0.07 0.00 0.00 0.00 178.15 179.19 1x7p h LEU 271 N -0.57 0.66 -0.46 1.44 4.07 -1.08 -1.15 115.31 118.23 1x7p h LEU 271 Ca -0.03 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.98 1x7p h LEU 271 Cb 1.00 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 1x7p h LEU 271 CO 0.04 0.21 0.04 0.22 -1.08 0.00 0.00 178.44 177.87 1x7p h TYR 272 N 0.67 0.83 -0.74 1.13 3.20 -0.86 -2.03 116.97 119.17 1x7p h TYR 272 Ca 0.56 -0.13 0.10 0.00 3.14 0.00 0.00 58.73 62.40 1x7p h TYR 272 Cb 0.91 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1x7p h TYR 272 CO -0.04 0.80 0.49 1.49 -1.64 0.00 0.00 178.16 179.25 1x7p h GLU 273 N 0.63 0.62 -0.18 1.82 4.57 -0.28 -0.86 114.58 120.90 1x7p h GLU 273 Ca 0.13 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1x7p h GLU 273 Cb 0.44 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1x7p h GLU 273 CO 0.02 0.41 -0.04 0.00 -1.18 0.00 0.00 179.01 178.21 1x7p h ALA 274 N 1.63 0.25 -1.00 2.92 0.00 -0.73 -1.96 119.26 120.37 1x7p h ALA 274 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1x7p h ALA 274 Cb 0.47 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1x7p h ALA 274 CO -0.12 0.02 0.66 0.28 0.00 0.00 0.00 179.25 180.08 1x7p h VAL 275 N 0.06 1.26 -0.61 0.00 2.07 -0.84 -1.42 116.25 116.77 1x7p h VAL 275 Ca 0.05 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1x7p h VAL 275 Cb 0.48 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1x7p h VAL 275 CO 0.02 0.25 0.06 -0.09 0.02 0.00 0.00 177.57 177.83 1x7p h ARG 276 N 1.36 1.03 -0.31 1.57 2.43 -0.88 -0.62 114.38 118.96 1x7p h ARG 276 Ca 0.37 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1x7p h ARG 276 Cb -0.15 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1x7p h ARG 276 CO -0.08 0.98 -0.11 1.96 -1.51 0.00 0.00 179.97 181.21 1x7p h GLN 277 N 0.93 0.63 -0.70 0.20 4.20 -0.98 0.19 115.11 119.57 1x7p h GLN 277 Ca 0.18 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1x7p h GLN 277 Cb 0.47 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1x7p h GLN 277 CO 0.02 0.83 0.29 0.00 -0.67 0.00 0.00 178.83 179.29 1x7p h ARG 278 N 0.39 1.04 -0.07 1.46 3.08 -0.99 -0.69 114.38 118.61 1x7p h ARG 278 Ca 0.07 -0.17 -0.24 0.00 0.07 0.00 0.00 59.98 59.71 1x7p h ARG 278 Cb 0.62 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.51 1x7p h ARG 278 CO 0.04 0.84 -0.91 0.82 -1.07 0.00 0.00 179.97 179.69 1x7p h ILE 279 N 1.02 1.29 -0.55 2.04 2.04 -1.06 -3.35 117.51 118.95 1x7p h ILE 279 Ca 0.24 -2.14 -0.11 0.00 1.00 0.00 0.00 64.86 63.85 1x7p h ILE 279 Cb 0.19 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1x7p h ILE 279 CO -0.02 0.67 -0.07 0.77 0.00 0.00 0.00 178.15 179.49 1x7p h SER 280 N 0.43 1.01 0.00 1.72 4.64 -0.01 -3.51 113.55 117.83 1x7p h SER 280 Ca -0.09 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1x7p h SER 280 Cb 1.54 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1x7p h SER 280 CO 0.18 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.86