#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r50 s PHE 13 N 0.00 -0.91 0.67 3.52 5.36 -1.26 -5.10 117.98 120.26 2r50 s PHE 13 Ca 0.00 0.71 0.03 0.00 -0.96 0.00 0.00 56.93 56.71 2r50 s PHE 13 Cb 0.00 -0.02 0.12 0.00 -0.34 0.00 0.00 43.02 42.78 2r50 s PHE 13 CO 0.00 -0.81 0.93 0.20 -1.46 0.00 0.00 175.22 174.08 2r50 s GLY 14 N 2.56 1.74 0.47 13.12 0.00 -1.26 -4.01 107.32 119.94 2r50 s GLY 14 Ca 0.12 -1.94 0.15 0.00 0.00 0.00 0.00 44.72 43.05 2r50 s GLY 14 CO -0.21 -1.39 2.04 0.83 0.00 0.00 0.00 173.10 174.37 2r50 h GLU 15 N -0.29 0.00 -0.24 2.90 5.08 -1.99 -2.30 114.58 117.74 2r50 h GLU 15 Ca -0.33 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2r50 h GLU 15 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2r50 h GLU 15 CO 0.39 0.13 0.15 1.49 -1.00 0.00 0.00 179.01 180.18 2r50 h GLU 16 N 0.00 0.30 -0.17 2.33 4.57 -1.99 0.98 114.58 120.61 2r50 h GLU 16 Ca -0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2r50 h GLU 16 Cb 0.23 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2r50 h GLU 16 CO 0.02 0.20 0.10 1.96 -1.18 0.00 0.00 179.01 180.10 2r50 h GLN 17 N 0.31 0.23 -0.85 1.92 7.50 -1.80 -1.67 115.11 120.76 2r50 h GLN 17 Ca 0.09 -0.03 0.11 0.00 0.50 0.00 0.00 58.65 59.32 2r50 h GLN 17 Cb -0.02 -0.05 -0.08 0.00 0.05 0.00 0.00 27.48 27.38 2r50 h GLN 17 CO -0.03 0.23 0.49 1.49 -1.50 0.00 0.00 178.83 179.50 2r50 h GLU 18 N 0.18 0.77 -0.38 1.46 4.81 -1.39 -2.27 114.58 117.76 2r50 h GLU 18 Ca 0.06 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2r50 h GLU 18 Cb 0.06 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2r50 h GLU 18 CO -0.01 0.51 0.12 0.00 -0.73 0.00 0.00 179.01 178.90 2r50 h ALA 19 N 1.48 0.49 -0.38 2.92 0.00 -0.25 0.59 119.26 124.11 2r50 h ALA 19 Ca 0.42 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2r50 h ALA 19 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2r50 h ALA 19 CO -0.27 0.13 0.24 -0.07 0.00 0.00 0.00 179.25 179.28 2r50 h LEU 20 N 0.46 0.40 -0.05 0.00 3.38 -1.04 0.78 115.31 119.24 2r50 h LEU 20 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2r50 h LEU 20 Cb 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2r50 h LEU 20 CO -0.00 0.29 0.03 0.58 0.09 0.00 0.00 178.44 179.42 2r50 h VAL 21 N 0.48 1.07 -0.09 1.22 2.07 -0.79 -1.27 116.25 118.94 2r50 h VAL 21 Ca 0.14 -0.20 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 2r50 h VAL 21 Cb -0.03 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2r50 h VAL 21 CO -0.05 0.06 -0.84 -0.07 0.02 0.00 0.00 177.57 176.69 2r50 h LEU 22 N 0.01 0.79 -0.50 2.57 3.38 -0.41 -0.07 115.31 121.08 2r50 h LEU 22 Ca 0.02 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 2r50 h LEU 22 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2r50 h LEU 22 CO -0.00 1.34 0.10 0.50 0.09 0.00 0.00 178.44 180.47 2r50 h LYS 23 N 0.42 0.82 -0.27 1.13 3.64 0.54 -1.88 116.57 120.97 2r50 h LYS 23 Ca -0.07 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 2r50 h LYS 23 Cb 1.46 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2r50 h LYS 23 CO 0.16 0.80 -0.08 0.66 -2.27 0.00 0.00 179.45 178.72 2r50 h SER 24 N 0.70 0.54 -0.37 4.20 4.64 -1.14 -2.80 113.55 119.32 2r50 h SER 24 Ca 0.16 -0.38 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2r50 h SER 24 Cb 0.36 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 2r50 h SER 24 CO 0.01 0.79 0.11 -0.25 -0.87 0.00 0.00 176.83 176.62 2r50 h TRP 25 N 0.28 0.20 -0.85 4.77 -0.00 -0.96 0.83 115.95 120.22 2r50 h TRP 25 Ca 0.07 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.05 2r50 h TRP 25 Cb 0.56 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 29.63 2r50 h TRP 25 CO 0.05 0.07 0.55 0.00 -0.00 0.00 0.00 178.44 179.12 2r50 h ALA 26 N 1.25 1.60 0.85 2.65 0.00 -1.28 0.60 119.26 124.93 2r50 h ALA 26 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2r50 h ALA 26 Cb 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2r50 h ALA 26 CO -0.19 0.26 -0.41 0.28 0.00 0.00 0.00 179.25 179.18 2r50 h VAL 27 N 0.91 0.16 -0.61 0.00 2.07 -1.06 -3.27 116.25 114.45 2r50 h VAL 27 Ca 0.37 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.82 2r50 h VAL 27 Cb 0.27 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2r50 h VAL 27 CO -0.14 0.00 0.08 0.24 0.02 0.00 0.00 177.57 177.77 2r50 h MET 28 N -1.15 1.00 -0.33 1.57 2.86 0.12 -2.99 114.93 116.01 2r50 h MET 28 Ca -0.12 -0.26 0.10 0.00 -2.06 0.00 0.00 59.70 57.35 2r50 h MET 28 Cb 0.88 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2r50 h MET 28 CO 0.19 0.94 0.63 -0.22 1.06 0.00 0.00 176.91 179.50 2r50 h LYS 29 N 0.94 0.00 -2.02 1.72 3.64 0.04 -2.04 116.57 118.85 2r50 h LYS 29 Ca 0.18 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2r50 h LYS 29 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2r50 h LYS 29 CO 0.01 0.00 -0.01 1.63 -2.27 0.00 0.00 179.45 178.81 2r50 n LYS 30 N -3.19 0.78 0.00 1.90 4.76 -1.13 -2.91 118.16 118.37 2r50 n LYS 30 Ca 0.06 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2r50 n LYS 30 Cb 0.76 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 2r50 n LYS 30 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2r50 n ASP 31 N 1.70 0.00 0.23 4.39 2.03 -0.77 -5.05 116.55 119.08 2r50 n ASP 31 Ca 0.02 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.39 2r50 n ASP 31 Cb 0.39 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.33 2r50 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2r50 h ALA 32 N 0.00 1.79 0.44 -1.67 0.00 -1.57 -0.84 119.26 117.41 2r50 h ALA 32 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2r50 h ALA 32 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r50 h ALA 32 CO 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 179.25 179.20 2r50 h ALA 33 N 1.87 -1.13 0.00 0.00 0.00 -1.93 -1.59 119.26 116.48 2r50 h ALA 33 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2r50 h ALA 33 Cb 0.21 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2r50 h ALA 33 CO 0.02 -1.08 -0.27 -0.91 0.00 0.00 0.00 179.25 177.00 2r50 h ASN 34 N -0.60 0.00 -0.81 0.00 2.35 -1.94 -1.64 115.58 112.93 2r50 h ASN 34 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2r50 h ASN 34 Cb 0.45 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 2r50 h ASN 34 CO 0.10 0.27 0.44 0.25 -1.65 0.00 0.00 177.43 176.85 2r50 h LEU 35 N 0.00 1.02 -0.52 1.61 5.85 -1.14 0.11 115.31 122.24 2r50 h LEU 35 Ca -0.00 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 2r50 h LEU 35 Cb 0.50 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2r50 h LEU 35 CO 0.04 0.83 -0.49 1.23 -0.34 0.00 0.00 178.44 179.70 2r50 h GLY 36 N 1.13 0.70 0.92 3.75 0.00 -0.31 -2.11 103.07 107.16 2r50 h GLY 36 Ca 0.29 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2r50 h GLY 36 CO -0.05 0.69 0.12 -2.00 0.00 0.00 0.00 176.54 175.31 2r50 h LEU 37 N 0.51 0.37 -0.50 3.11 5.85 -1.18 -2.76 115.31 120.71 2r50 h LEU 37 Ca 0.02 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2r50 h LEU 37 Cb 1.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2r50 h LEU 37 CO 0.10 0.42 0.23 0.03 -0.34 0.00 0.00 178.44 178.88 2r50 h ARG 38 N 0.31 0.73 -0.09 1.25 3.08 -0.65 -0.79 114.38 118.22 2r50 h ARG 38 Ca 0.09 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.07 2r50 h ARG 38 Cb 0.15 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 2r50 h ARG 38 CO -0.01 0.62 -0.47 0.35 -1.07 0.00 0.00 179.97 179.39 2r50 h PHE 39 N 0.67 -1.36 0.00 3.04 3.57 -1.33 -1.08 116.94 120.45 2r50 h PHE 39 Ca 0.17 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2r50 h PHE 39 Cb 0.14 0.61 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2r50 h PHE 39 CO -0.00 -0.51 -0.11 0.74 -2.23 0.00 0.00 178.31 176.19 2r50 h PHE 40 N -0.56 0.00 -0.88 0.41 -1.00 -1.39 -1.94 116.94 111.59 2r50 h PHE 40 Ca 0.05 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 2r50 h PHE 40 Cb 0.66 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.18 2r50 h PHE 40 CO -0.51 0.00 0.49 -0.07 -1.61 0.00 0.00 178.31 176.61 2r50 h LEU 41 N 0.00 1.09 -0.44 1.54 3.38 -0.85 -1.79 115.31 118.24 2r50 h LEU 41 Ca 0.00 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2r50 h LEU 41 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2r50 h LEU 41 CO 0.00 0.87 -0.41 0.50 0.09 0.00 0.00 178.44 179.49 2r50 h LYS 42 N 1.22 0.86 -0.60 1.13 1.63 -0.43 -1.75 116.57 118.63 2r50 h LYS 42 Ca 0.31 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2r50 h LYS 42 Cb 0.02 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 2r50 h LYS 42 CO -0.05 1.10 0.39 0.28 -3.45 0.00 0.00 179.45 177.72 2r50 h VAL 43 N 0.69 1.16 0.00 2.00 2.07 -1.27 -1.66 116.25 119.24 2r50 h VAL 43 Ca 0.05 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2r50 h VAL 43 Cb 0.99 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2r50 h VAL 43 CO 0.10 0.16 -0.23 -0.26 0.02 0.00 0.00 177.57 177.35 2r50 h PHE 44 N 0.81 0.00 -0.16 1.57 0.05 -1.19 0.01 116.94 118.05 2r50 h PHE 44 Ca 0.22 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.81 2r50 h PHE 44 Cb -0.08 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.87 2r50 h PHE 44 CO -0.03 0.23 -0.70 1.49 -0.18 0.00 0.00 178.31 179.12 2r50 h GLU 45 N 0.00 0.66 0.02 1.51 4.81 -0.45 -2.12 114.58 119.01 2r50 h GLU 45 Ca -0.00 -0.50 -0.20 0.00 -0.13 0.00 0.00 59.36 58.53 2r50 h GLU 45 Cb 0.99 0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.48 2r50 h GLU 45 CO 0.03 1.12 -0.79 0.82 -0.73 0.00 0.00 179.01 179.46 2r50 h ILE 46 N 0.47 1.38 -2.66 2.32 2.04 -1.13 -3.41 117.51 116.53 2r50 h ILE 46 Ca -0.03 -2.19 -0.60 0.00 1.00 0.00 0.00 64.86 63.04 2r50 h ILE 46 Cb 1.30 2.60 -0.40 0.00 -0.74 0.00 0.00 36.82 39.59 2r50 h ILE 46 CO 0.14 0.65 -0.81 0.00 0.00 0.00 0.00 178.15 178.12 2r50 s ALA 47 N -3.15 2.36 0.36 1.87 0.00 -0.03 -4.99 121.76 118.19 2r50 s ALA 47 Ca -0.12 -3.00 0.08 0.00 0.00 0.00 0.00 51.96 48.93 2r50 s ALA 47 Cb 0.04 -1.82 0.80 0.00 0.00 0.00 0.00 23.12 22.14 2r50 s ALA 47 CO 0.86 -2.02 1.91 -1.35 0.00 0.00 0.00 175.76 175.15 2r50 h PRO 48 N 5.57 0.68 -0.07 0.00 0.11 -1.60 -0.63 132.00 136.06 2r50 h PRO 48 Ca 0.21 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.30 2r50 h PRO 48 Cb 0.85 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 2r50 h PRO 48 CO 0.51 0.45 0.21 0.66 -0.21 0.00 0.00 178.00 179.62 2r50 h SER 49 N 0.70 0.00 0.45 -2.05 4.64 -1.94 -1.05 113.55 114.30 2r50 h SER 49 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2r50 h SER 49 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2r50 h SER 49 CO -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.80 2r50 n ALA 50 N -2.07 1.46 0.08 5.18 0.00 -0.24 -2.58 120.51 122.34 2r50 n ALA 50 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 2r50 n ALA 50 Cb 0.29 -1.30 0.29 0.00 0.00 0.00 0.00 19.45 18.73 2r50 n ALA 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2r50 h LYS 51 N 0.00 0.29 0.00 0.00 1.57 -1.37 -2.88 116.57 114.19 2r50 h LYS 51 Ca 0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2r50 h LYS 51 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2r50 h LYS 51 CO 0.00 0.54 -0.18 1.96 -0.57 0.00 0.00 179.45 181.20 2r50 h GLN 52 N 0.27 0.00 -0.27 3.15 4.20 -1.70 -1.16 115.11 119.59 2r50 h GLN 52 Ca 0.04 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2r50 h GLN 52 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2r50 h GLN 52 CO 0.04 0.18 0.31 0.52 -0.67 0.00 0.00 178.83 179.21 2r50 h MET 53 N 0.00 0.00 -4.35 1.46 2.86 -1.69 -3.37 114.93 109.84 2r50 h MET 53 Ca -0.00 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.93 2r50 h MET 53 Cb 0.34 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 31.68 2r50 h MET 53 CO 0.02 0.00 -0.46 -0.06 1.06 0.00 0.00 176.91 177.47 2r50 s PHE 54 N -4.60 3.51 0.04 -0.22 0.40 -0.44 -5.01 117.98 111.66 2r50 s PHE 54 Ca -0.04 -2.17 -0.20 0.00 -0.60 0.00 0.00 56.93 53.91 2r50 s PHE 54 Cb 0.15 -3.36 -0.14 0.00 0.51 0.00 0.00 43.02 40.18 2r50 s PHE 54 CO 0.53 -0.98 1.38 0.77 0.70 0.00 0.00 175.22 177.62 2r50 h SER 55 N 8.20 0.36 0.00 1.36 0.02 -1.81 -3.49 113.55 118.18 2r50 h SER 55 Ca -0.16 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2r50 h SER 55 Cb 1.06 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2r50 h SER 55 CO 0.78 0.72 0.00 0.49 -1.14 0.00 0.00 176.83 177.68 2r50 n PHE 56 N -4.60 0.00 0.00 3.45 0.99 -1.26 -5.13 117.46 110.91 2r50 n PHE 56 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 2r50 n PHE 56 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.81 2r50 n PHE 56 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2r50 n LEU 64 N 0.00 1.10 0.00 4.37 -0.00 -1.26 -5.23 117.00 115.98 2r50 n LEU 64 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 2r50 n LEU 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2r50 n LEU 64 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 2r50 n GLU 65 N -0.44 0.00 -1.69 1.47 1.02 -1.26 -4.96 120.64 114.78 2r50 n GLU 65 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2r50 n GLU 65 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 2r50 n GLU 65 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2r50 n LYS 66 N -2.20 4.07 -1.70 3.49 5.02 -1.26 -4.95 118.16 120.62 2r50 n LYS 66 Ca 0.00 -2.87 -0.44 0.00 -2.02 0.00 0.00 58.31 52.99 2r50 n LYS 66 Cb 0.00 -2.64 -0.03 0.00 -0.02 0.00 0.00 35.03 32.35 2r50 n LYS 66 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2r50 n ASN 67 N 2.34 3.35 -0.06 4.39 2.85 -1.26 -4.92 115.26 121.94 2r50 n ASN 67 Ca 0.67 1.12 -0.10 0.00 -0.11 0.00 0.00 54.58 56.16 2r50 n ASN 67 Cb 0.28 -1.50 -0.03 0.00 1.24 0.00 0.00 39.78 39.78 2r50 n ASN 67 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2r50 h PRO 68 N 5.11 0.33 -0.72 1.20 0.11 -1.99 -2.77 132.00 133.26 2r50 h PRO 68 Ca -0.45 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.79 2r50 h PRO 68 Cb 1.24 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 2r50 h PRO 68 CO 0.82 0.25 -0.01 0.87 -0.21 0.00 0.00 178.00 179.72 2r50 h LYS 69 N 0.32 0.09 -0.47 1.05 1.79 -1.98 0.89 116.57 118.26 2r50 h LYS 69 Ca 0.09 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2r50 h LYS 69 Cb -0.00 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2r50 h LYS 69 CO -0.02 0.06 0.29 1.25 -1.08 0.00 0.00 179.45 179.95 2r50 h LEU 70 N 0.10 0.55 -0.00 2.94 7.12 -1.92 -0.07 115.31 124.02 2r50 h LEU 70 Ca 0.39 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.37 2r50 h LEU 70 Cb 0.67 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2r50 h LEU 70 CO -0.64 0.42 -0.00 0.50 -0.13 0.00 0.00 178.44 178.59 2r50 h LYS 71 N 0.64 0.00 -0.56 1.25 3.64 -0.72 -1.98 116.57 118.84 2r50 h LYS 71 Ca 0.17 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2r50 h LYS 71 Cb -0.03 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2r50 h LYS 71 CO -0.03 0.33 0.37 1.15 -2.27 0.00 0.00 179.45 179.00 2r50 h THR 72 N -0.33 1.01 0.06 1.00 2.02 -0.41 -0.74 112.91 115.53 2r50 h THR 72 Ca 0.00 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2r50 h THR 72 Cb 0.33 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2r50 h THR 72 CO 0.00 0.10 -0.03 -0.74 0.37 0.00 0.00 175.52 175.22 2r50 h HIS 73 N 0.57 -0.08 -0.90 3.16 -0.00 -0.96 -2.55 115.15 114.39 2r50 h HIS 73 Ca 0.24 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.68 2r50 h HIS 73 Cb 0.23 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.60 2r50 h HIS 73 CO -0.00 0.25 0.58 0.00 -0.00 0.00 0.00 177.93 178.77 2r50 h ALA 74 N 0.48 1.56 -0.19 5.26 0.00 -0.91 -1.95 119.26 123.51 2r50 h ALA 74 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2r50 h ALA 74 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2r50 h ALA 74 CO 0.01 0.29 -0.43 0.52 0.00 0.00 0.00 179.25 179.65 2r50 h MET 75 N 0.97 0.47 -0.04 0.00 2.86 -1.18 -2.40 114.93 115.61 2r50 h MET 75 Ca 0.40 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2r50 h MET 75 Cb 0.27 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2r50 h MET 75 CO -0.16 0.81 -0.05 0.77 1.06 0.00 0.00 176.91 179.34 2r50 h SER 76 N 0.38 -0.16 -0.21 1.22 0.02 -0.92 0.27 113.55 114.14 2r50 h SER 76 Ca 0.03 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2r50 h SER 76 Cb 0.91 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 2r50 h SER 76 CO 0.08 -0.08 -0.39 0.58 -1.14 0.00 0.00 176.83 175.88 2r50 h VAL 77 N -0.08 0.17 0.28 2.27 2.07 -1.33 0.82 116.25 120.46 2r50 h VAL 77 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2r50 h VAL 77 Cb 0.13 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2r50 h VAL 77 CO -0.08 0.00 -0.18 -0.26 0.02 0.00 0.00 177.57 177.07 2r50 h PHE 78 N -0.42 -0.46 -0.15 1.57 0.04 -1.19 -0.95 116.94 115.38 2r50 h PHE 78 Ca 0.10 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2r50 h PHE 78 Cb 0.60 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 2r50 h PHE 78 CO -0.50 -0.28 0.09 0.28 -0.60 0.00 0.00 178.31 177.30 2r50 h VAL 79 N -0.44 1.07 0.00 -0.55 2.07 -0.28 -1.99 116.25 116.13 2r50 h VAL 79 Ca -0.03 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2r50 h VAL 79 Cb 0.37 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2r50 h VAL 79 CO 0.03 0.07 -0.29 0.24 0.02 0.00 0.00 177.57 177.64 2r50 h MET 80 N 0.17 0.00 -0.52 1.57 2.86 -0.74 -2.14 114.93 116.13 2r50 h MET 80 Ca 0.05 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2r50 h MET 80 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2r50 h MET 80 CO -0.01 0.29 0.13 1.15 1.06 0.00 0.00 176.91 179.52 2r50 h THR 81 N 0.00 1.24 -0.62 2.22 2.02 -0.76 0.11 112.91 117.12 2r50 h THR 81 Ca -0.00 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.34 2r50 h THR 81 Cb 0.62 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2r50 h THR 81 CO 0.04 0.31 0.40 0.00 0.37 0.00 0.00 175.52 176.64 2r50 h GLU 83 N 0.81 1.20 -0.66 0.00 5.08 -1.33 -1.97 114.58 117.72 2r50 h GLU 83 Ca 0.23 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2r50 h GLU 83 Cb -0.06 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 28.94 2r50 h GLU 83 CO -0.07 0.96 0.39 0.00 -1.00 0.00 0.00 179.01 179.29 2r50 h ALA 84 N 1.19 0.88 0.12 3.43 0.00 -0.31 0.26 119.26 124.83 2r50 h ALA 84 Ca 0.27 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2r50 h ALA 84 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2r50 h ALA 84 CO -0.03 0.12 -0.23 0.00 0.00 0.00 0.00 179.25 179.11 2r50 h ALA 85 N 1.31 -0.39 -0.75 0.00 0.00 -0.45 0.05 119.26 119.04 2r50 h ALA 85 Ca 0.28 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2r50 h ALA 85 Cb 0.09 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2r50 h ALA 85 CO -0.14 -0.76 0.49 0.00 0.00 0.00 0.00 179.25 178.84 2r50 h ALA 86 N 0.34 1.65 0.00 0.00 0.00 -0.98 -2.50 119.26 117.78 2r50 h ALA 86 Ca 0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2r50 h ALA 86 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2r50 h ALA 86 CO -0.12 0.25 -0.85 1.96 0.00 0.00 0.00 179.25 180.49 2r50 h GLN 87 N 0.82 0.11 -0.23 0.00 4.20 0.25 -1.53 115.11 118.74 2r50 h GLN 87 Ca 0.32 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 2r50 h GLN 87 Cb 0.20 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2r50 h GLN 87 CO -0.10 0.89 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.52 2r50 h LEU 88 N 0.06 0.51 -0.02 1.46 3.38 -0.68 -1.72 115.31 118.30 2r50 h LEU 88 Ca -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2r50 h LEU 88 Cb 1.47 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 2r50 h LEU 88 CO 0.12 0.83 -0.03 -0.09 0.09 0.00 0.00 178.44 179.35 2r50 h ARG 89 N 0.42 0.06 0.44 1.13 1.12 -1.19 -1.48 114.38 114.88 2r50 h ARG 89 Ca 0.05 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 2r50 h ARG 89 Cb 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.78 2r50 h ARG 89 CO 0.07 0.58 -0.21 -0.22 -3.11 0.00 0.00 179.97 177.08 2r50 h LYS 90 N -0.46 -0.57 -0.01 0.20 1.63 -1.29 -3.38 116.57 112.68 2r50 h LYS 90 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2r50 h LYS 90 Cb 0.58 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2r50 h LYS 90 CO 0.01 -0.38 -0.40 0.00 -3.45 0.00 0.00 179.45 175.22 2r50 n ALA 91 N -2.41 3.40 -0.95 5.00 0.00 -0.65 -4.98 120.51 119.92 2r50 n ALA 91 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2r50 n ALA 91 Cb 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2r50 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r50 n GLY 92 N 1.39 0.77 3.80 0.00 0.00 -0.56 -4.96 105.19 105.64 2r50 n GLY 92 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2r50 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r50 s LYS 93 N -0.16 1.90 -0.09 1.61 -2.85 -1.25 -4.78 119.74 114.12 2r50 s LYS 93 Ca 0.00 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.49 2r50 s LYS 93 Cb 0.00 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.33 2r50 s LYS 93 CO 0.00 -0.87 1.29 0.08 0.10 0.00 0.00 175.35 175.95 2r50 s VAL 94 N -3.42 4.12 -0.16 1.79 1.01 -1.26 -3.60 120.40 118.88 2r50 s VAL 94 Ca 0.14 1.42 0.18 0.00 0.00 0.00 0.00 61.98 63.72 2r50 s VAL 94 Cb -0.05 -3.92 0.44 0.00 0.00 0.00 0.00 36.38 32.85 2r50 s VAL 94 CO 0.09 -0.06 1.32 0.35 0.00 0.00 0.00 175.10 176.80 2r50 n THR 95 N 4.96 2.14 -1.43 3.92 -2.24 -1.26 -5.02 114.28 115.35 2r50 n THR 95 Ca 0.13 -2.04 -0.43 0.00 -2.27 0.00 0.00 64.05 59.44 2r50 n THR 95 Cb 0.45 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2r50 n THR 95 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2r50 n VAL 96 N -0.88 1.61 -1.65 2.28 0.31 -1.26 -4.73 118.33 114.01 2r50 n VAL 96 Ca 0.19 -0.50 -0.59 0.00 -0.01 0.00 0.00 64.34 63.44 2r50 n VAL 96 Cb 0.80 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 33.25 2r50 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2r50 n ARG 97 N 0.81 0.68 -0.02 5.55 5.12 -1.26 -4.77 116.66 122.78 2r50 n ARG 97 Ca 0.12 0.25 0.21 0.00 -1.93 0.00 0.00 57.85 56.50 2r50 n ARG 97 Cb 0.37 -1.85 0.70 0.00 -1.16 0.00 0.00 32.46 30.52 2r50 n ARG 97 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2r50 h GLU 98 N 5.29 0.00 -0.15 5.56 4.81 -1.99 -0.66 114.58 127.45 2r50 h GLU 98 Ca -0.47 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.55 2r50 h GLU 98 Cb 1.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.74 2r50 h GLU 98 CO 0.86 0.00 -0.73 1.79 -0.73 0.00 0.00 179.01 180.20 2r50 h THR 99 N 0.00 1.29 -0.51 0.32 1.35 -2.00 -2.48 112.91 110.88 2r50 h THR 99 Ca 0.27 -1.95 -0.09 0.00 -0.55 0.00 0.00 66.41 64.09 2r50 h THR 99 Cb 1.09 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 69.51 2r50 h THR 99 CO -0.00 0.61 -0.06 0.74 -0.25 0.00 0.00 175.52 176.56 2r50 h THR 100 N 0.47 1.26 -0.55 6.82 2.02 -1.56 -2.05 112.91 119.32 2r50 h THR 100 Ca -0.05 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 2r50 h THR 100 Cb 1.37 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 2r50 h THR 100 CO 0.15 0.40 0.20 -0.07 0.37 0.00 0.00 175.52 176.57 2r50 h LEU 101 N 0.82 0.73 -0.21 2.58 3.38 -1.16 -1.18 115.31 120.26 2r50 h LEU 101 Ca 0.14 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2r50 h LEU 101 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2r50 h LEU 101 CO 0.03 0.68 -0.93 0.11 0.09 0.00 0.00 178.44 178.42 2r50 h LYS 102 N 0.79 0.17 -0.59 1.13 1.57 -1.22 -0.02 116.57 118.40 2r50 h LYS 102 Ca 0.18 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2r50 h LYS 102 Cb 0.19 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2r50 h LYS 102 CO -0.01 0.98 0.07 -0.09 -0.57 0.00 0.00 179.45 179.83 2r50 h ARG 103 N 0.09 1.00 -0.24 3.15 2.43 -1.20 -1.29 114.38 118.31 2r50 h ARG 103 Ca -0.05 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2r50 h ARG 103 Cb 1.58 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 2r50 h ARG 103 CO 0.14 0.95 0.08 -0.07 -1.51 0.00 0.00 179.97 179.57 2r50 h LEU 104 N 0.90 0.34 -0.76 3.80 3.38 -1.10 -1.35 115.31 120.52 2r50 h LEU 104 Ca 0.18 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2r50 h LEU 104 Cb 0.46 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2r50 h LEU 104 CO 0.02 0.44 0.47 1.23 0.09 0.00 0.00 178.44 180.69 2r50 h GLY 105 N 0.23 1.11 0.78 0.83 0.00 -0.91 -2.14 103.07 102.97 2r50 h GLY 105 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2r50 h GLY 105 CO -0.00 0.28 -0.14 0.00 0.00 0.00 0.00 176.54 176.67 2r50 h ALA 106 N 1.34 0.25 -0.52 3.60 0.00 -1.09 -2.34 119.26 120.49 2r50 h ALA 106 Ca 0.32 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2r50 h ALA 106 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2r50 h ALA 106 CO -0.13 0.12 0.30 1.15 0.00 0.00 0.00 179.25 180.68 2r50 h THR 107 N 0.05 1.02 0.00 0.00 2.02 -1.07 -2.37 112.91 112.56 2r50 h THR 107 Ca 0.03 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2r50 h THR 107 Cb 0.66 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2r50 h THR 107 CO 0.04 0.11 -0.17 0.45 0.37 0.00 0.00 175.52 176.32 2r50 h HIS 108 N 0.59 0.00 -0.22 3.16 3.86 -1.39 -1.95 115.15 119.19 2r50 h HIS 108 Ca 0.22 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.23 2r50 h HIS 108 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2r50 h HIS 108 CO -0.08 0.17 -0.63 1.25 0.86 0.00 0.00 177.93 179.50 2r50 h LEU 109 N 0.00 0.89 -0.93 2.43 5.85 -1.33 -1.95 115.31 120.27 2r50 h LEU 109 Ca -0.00 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 2r50 h LEU 109 Cb 1.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2r50 h LEU 109 CO 0.02 1.30 0.17 -0.09 -0.34 0.00 0.00 178.44 179.50 2r50 h ARG 110 N 0.58 0.96 -0.05 1.25 2.43 -1.16 -2.29 114.38 116.08 2r50 h ARG 110 Ca -0.01 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2r50 h ARG 110 Cb 1.23 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2r50 h ARG 110 CO 0.13 0.84 0.00 0.66 -1.51 0.00 0.00 179.97 180.09 2r50 n TYR 111 N -4.26 0.06 -2.42 2.20 4.02 -0.76 -4.96 117.16 111.04 2r50 n TYR 111 Ca 0.05 -0.03 -0.02 0.00 -0.01 0.00 0.00 57.90 57.89 2r50 n TYR 111 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 2r50 n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r50 n GLY 112 N 1.12 0.67 3.59 2.72 0.00 -0.86 -4.87 105.19 107.55 2r50 n GLY 112 Ca 0.19 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2r50 n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r50 s VAL 113 N -2.74 4.35 0.71 1.61 1.01 -0.74 -5.03 120.40 119.56 2r50 s VAL 113 Ca 0.03 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 2r50 s VAL 113 Cb -0.01 -4.51 0.12 0.00 0.00 0.00 0.00 36.38 31.97 2r50 s VAL 113 CO 0.04 -0.89 0.98 0.00 0.00 0.00 0.00 175.10 175.23 2r50 s ALA 114 N 4.09 3.67 0.41 5.51 0.00 -1.26 -4.81 121.76 129.37 2r50 s ALA 114 Ca 0.43 -1.66 0.10 0.00 0.00 0.00 0.00 51.96 50.83 2r50 s ALA 114 Cb -0.09 -2.05 0.90 0.00 0.00 0.00 0.00 23.12 21.89 2r50 s ALA 114 CO 0.28 -1.41 1.99 -0.44 0.00 0.00 0.00 175.76 176.18 2r50 h ASP 115 N -0.50 0.48 -0.26 0.00 3.45 -2.00 -1.33 116.42 116.27 2r50 h ASP 115 Ca -0.37 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 2r50 h ASP 115 Cb 1.27 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 2r50 h ASP 115 CO 0.42 0.31 0.10 1.23 -1.57 0.00 0.00 179.24 179.73 2r50 h GLY 116 N 0.55 0.41 0.96 2.75 0.00 -1.98 -0.88 103.07 104.89 2r50 h GLY 116 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2r50 h GLY 116 CO -0.08 0.21 0.19 0.45 0.00 0.00 0.00 176.54 177.32 2r50 h HIS 117 N 0.27 0.52 -0.95 5.60 3.86 -1.63 -0.86 115.15 121.95 2r50 h HIS 117 Ca 0.09 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2r50 h HIS 117 Cb 0.18 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 2r50 h HIS 117 CO -0.01 0.42 0.62 0.74 0.86 0.00 0.00 177.93 180.56 2r50 h PHE 118 N 0.47 1.21 -0.27 2.45 -1.00 -1.23 -2.30 116.94 116.28 2r50 h PHE 118 Ca 0.13 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 2r50 h PHE 118 Cb 0.08 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.22 2r50 h PHE 118 CO -0.02 0.77 -0.02 0.93 -1.61 0.00 0.00 178.31 178.36 2r50 h GLU 119 N 1.30 0.48 -0.92 1.51 5.08 -0.84 -1.79 114.58 119.40 2r50 h GLU 119 Ca 0.35 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2r50 h GLU 119 Cb -0.13 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 2r50 h GLU 119 CO -0.07 0.66 0.61 0.28 -1.00 0.00 0.00 179.01 179.48 2r50 h VAL 120 N 0.25 1.22 -0.42 3.13 2.07 -0.96 -1.43 116.25 120.11 2r50 h VAL 120 Ca 0.07 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2r50 h VAL 120 Cb 0.45 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2r50 h VAL 120 CO 0.02 0.22 -0.00 0.74 0.02 0.00 0.00 177.57 178.57 2r50 h THR 121 N 1.22 1.26 -0.34 2.57 2.02 -1.35 0.30 112.91 118.60 2r50 h THR 121 Ca 0.34 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.54 2r50 h THR 121 Cb -0.11 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 2r50 h THR 121 CO -0.08 0.35 0.09 1.23 0.37 0.00 0.00 175.52 177.48 2r50 h GLY 122 N 0.58 0.41 0.92 2.16 0.00 -0.98 0.60 103.07 106.75 2r50 h GLY 122 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2r50 h GLY 122 CO 0.02 0.00 0.11 -2.75 0.00 0.00 0.00 176.54 173.93 2r50 h PHE 123 N 0.22 0.36 -0.65 5.60 3.57 -1.08 -1.93 116.94 123.03 2r50 h PHE 123 Ca 0.16 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2r50 h PHE 123 Cb 0.15 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2r50 h PHE 123 CO -0.16 0.36 0.23 0.00 -2.23 0.00 0.00 178.31 176.50 2r50 h ALA 124 N 0.97 1.17 -0.15 2.41 0.00 -0.01 -2.37 119.26 121.28 2r50 h ALA 124 Ca 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2r50 h ALA 124 Cb 0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2r50 h ALA 124 CO -0.01 0.59 -0.17 1.25 0.00 0.00 0.00 179.25 180.91 2r50 h LEU 125 N 0.95 -0.53 -0.77 0.00 5.85 0.41 -1.66 115.31 119.56 2r50 h LEU 125 Ca 0.22 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2r50 h LEU 125 Cb 0.24 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2r50 h LEU 125 CO -0.01 -0.22 0.45 -0.07 -0.34 0.00 0.00 178.44 178.25 2r50 h LEU 126 N -0.20 0.95 -0.63 2.25 3.38 -1.05 -1.31 115.31 118.70 2r50 h LEU 126 Ca 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2r50 h LEU 126 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2r50 h LEU 126 CO -0.27 0.75 0.28 -0.33 0.09 0.00 0.00 178.44 178.96 2r50 h GLU 127 N 1.06 0.92 -0.50 1.13 4.39 -1.31 -1.65 114.58 118.62 2r50 h GLU 127 Ca 0.27 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2r50 h GLU 127 Cb -0.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2r50 h GLU 127 CO -0.05 0.76 0.22 1.15 -1.16 0.00 0.00 179.01 179.93 2r50 h THR 128 N 0.87 1.18 0.05 1.13 2.02 -0.86 -2.29 112.91 115.01 2r50 h THR 128 Ca 0.21 -0.54 -0.24 0.00 0.77 0.00 0.00 66.41 66.62 2r50 h THR 128 Cb 0.16 0.56 0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2r50 h THR 128 CO -0.02 0.21 -0.95 0.40 0.37 0.00 0.00 175.52 175.53 2r50 h ILE 129 N 0.71 1.34 -0.62 3.11 2.04 -1.03 -2.61 117.51 120.45 2r50 h ILE 129 Ca 0.17 -2.28 0.05 0.00 1.00 0.00 0.00 64.86 63.80 2r50 h ILE 129 Cb 0.11 2.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 2r50 h ILE 129 CO -0.02 0.69 0.35 0.50 0.00 0.00 0.00 178.15 179.66 2r50 h LYS 130 N 0.14 0.64 0.00 2.37 3.64 -1.16 -0.77 116.57 121.43 2r50 h LYS 130 Ca -0.13 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2r50 h LYS 130 Cb 1.64 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2r50 h LYS 130 CO 0.18 0.43 -0.02 0.93 -2.27 0.00 0.00 179.45 178.71 2r50 h GLU 131 N 0.66 0.00 -0.01 1.90 5.08 -1.41 -3.10 114.58 117.70 2r50 h GLU 131 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2r50 h GLU 131 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2r50 h GLU 131 CO -0.15 0.02 -0.46 0.00 -1.00 0.00 0.00 179.01 177.42 2r50 n ALA 132 N -2.10 3.51 -2.54 3.43 0.00 -0.36 -4.92 120.51 117.53 2r50 n ALA 132 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 2r50 n ALA 132 Cb 0.29 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 2r50 n ALA 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r50 s LEU 133 N -2.63 2.94 0.65 0.00 1.02 -0.79 -4.81 118.68 115.06 2r50 s LEU 133 Ca 0.18 -0.29 -0.17 0.00 0.02 0.00 0.00 54.13 53.87 2r50 s LEU 133 Cb 0.18 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 2r50 s LEU 133 CO 0.61 0.26 1.23 -2.16 0.02 0.00 0.00 176.35 176.30 2r50 s PRO 134 N -1.56 2.61 0.55 1.29 0.04 -1.26 -4.87 135.00 131.80 2r50 s PRO 134 Ca 0.17 1.86 0.31 0.00 0.04 0.00 0.00 61.00 63.38 2r50 s PRO 134 Cb -0.11 -1.88 1.47 0.00 0.04 0.00 0.00 34.50 34.02 2r50 s PRO 134 CO 0.08 -1.50 1.90 0.00 0.04 0.00 0.00 177.00 177.52 2r50 h ALA 135 N 0.43 2.72 0.00 8.56 0.00 -1.93 -2.11 119.26 126.93 2r50 h ALA 135 Ca -0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2r50 h ALA 135 Cb 1.31 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2r50 h ALA 135 CO 0.53 -1.01 -0.17 0.38 0.00 0.00 0.00 179.25 178.98 2r50 h ASP 136 N 0.00 0.00 0.52 0.00 3.04 -2.01 -2.56 116.42 115.42 2r50 h ASP 136 Ca 0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 2r50 h ASP 136 Cb 1.58 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.87 2r50 h ASP 136 CO -0.00 0.17 -0.27 0.23 -2.04 0.00 0.00 179.24 177.32 2r50 n MET 137 N -3.19 0.30 -3.58 4.15 2.81 -0.80 -4.88 117.12 111.93 2r50 n MET 137 Ca 0.02 -0.13 -0.37 0.00 -1.81 0.00 0.00 57.70 55.41 2r50 n MET 137 Cb 0.52 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 2r50 n MET 137 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 2r50 s TRP 138 N -2.79 3.57 0.10 2.03 -0.11 -0.97 -4.79 118.94 115.97 2r50 s TRP 138 Ca 0.18 0.72 -0.27 0.00 1.22 0.00 0.00 56.10 57.95 2r50 s TRP 138 Cb 0.19 -2.26 0.08 0.00 -1.50 0.00 0.00 33.47 29.97 2r50 s TRP 138 CO 0.58 0.45 1.01 -1.54 -4.62 0.00 0.00 176.95 172.83 2r50 s SER 139 N -0.27 -0.18 0.21 5.86 1.04 -1.26 -4.96 113.70 114.13 2r50 s SER 139 Ca 0.19 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.22 2r50 s SER 139 Cb -0.14 0.41 0.16 0.00 0.10 0.00 0.00 66.02 66.55 2r50 s SER 139 CO 0.07 -0.75 1.88 0.25 0.98 0.00 0.00 173.24 175.67 2r50 h LEU 140 N 2.00 0.88 -0.81 2.42 5.85 -1.99 -1.91 115.31 121.75 2r50 h LEU 140 Ca -0.24 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2r50 h LEU 140 Cb 1.23 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2r50 h LEU 140 CO 0.27 0.64 0.50 -0.33 -0.34 0.00 0.00 178.44 179.18 2r50 h GLU 141 N 1.04 1.10 -0.22 1.25 3.07 -1.98 -1.11 114.58 117.72 2r50 h GLU 141 Ca 0.28 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2r50 h GLU 141 Cb -0.11 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.56 2r50 h GLU 141 CO -0.06 0.76 0.12 1.98 -1.40 0.00 0.00 179.01 180.41 2r50 h MET 142 N 1.11 0.30 -0.80 2.33 4.05 -1.77 -1.54 114.93 118.61 2r50 h MET 142 Ca 0.29 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 2r50 h MET 142 Cb -0.06 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 2r50 h MET 142 CO -0.06 0.27 0.40 -0.22 0.23 0.00 0.00 176.91 177.53 2r50 h LYS 143 N 0.25 1.15 -0.28 0.39 3.64 -1.00 -2.23 116.57 118.50 2r50 h LYS 143 Ca 0.08 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 2r50 h LYS 143 Cb 0.06 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2r50 h LYS 143 CO -0.01 0.88 -0.43 0.87 -2.27 0.00 0.00 179.45 178.48 2r50 h LYS 144 N 1.13 0.69 -0.20 1.90 1.57 -1.04 -0.94 116.57 119.68 2r50 h LYS 144 Ca 0.28 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2r50 h LYS 144 Cb 0.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2r50 h LYS 144 CO -0.04 0.99 0.02 0.00 -0.57 0.00 0.00 179.45 179.85 2r50 h ALA 145 N 0.96 0.27 -0.54 3.86 0.00 -1.01 -1.80 119.26 121.00 2r50 h ALA 145 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2r50 h ALA 145 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2r50 h ALA 145 CO 0.09 -0.04 0.17 -1.49 0.00 0.00 0.00 179.25 177.98 2r50 h TRP 146 N 0.12 0.87 -0.27 0.00 4.06 -1.30 -1.93 115.95 117.51 2r50 h TRP 146 Ca 0.06 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.83 2r50 h TRP 146 Cb 0.35 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2r50 h TRP 146 CO 0.03 0.74 -0.23 0.00 -3.56 0.00 0.00 178.44 175.41 2r50 h ALA 147 N 1.03 1.10 -0.12 1.49 0.00 -1.12 -0.25 119.26 121.39 2r50 h ALA 147 Ca 0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2r50 h ALA 147 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2r50 h ALA 147 CO -0.01 0.56 -0.32 1.49 0.00 0.00 0.00 179.25 180.97 2r50 h GLU 148 N 0.45 0.43 -0.03 0.00 4.57 -1.29 -0.40 114.58 118.31 2r50 h GLU 148 Ca 0.07 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2r50 h GLU 148 Cb 0.65 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2r50 h GLU 148 CO 0.05 0.91 -0.07 0.00 -1.18 0.00 0.00 179.01 178.72 2r50 h ALA 149 N 0.52 -0.05 -0.32 2.92 0.00 -0.95 -0.84 119.26 120.54 2r50 h ALA 149 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r50 h ALA 149 Cb 0.93 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2r50 h ALA 149 CO 0.07 -0.55 0.19 -0.92 0.00 0.00 0.00 179.25 178.03 2r50 h TYR 150 N -0.11 0.43 -0.80 0.00 3.20 -1.12 -2.35 116.97 116.23 2r50 h TYR 150 Ca 0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2r50 h TYR 150 Cb 0.16 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2r50 h TYR 150 CO -0.15 0.33 0.52 1.03 -1.64 0.00 0.00 178.16 178.25 2r50 h SER 151 N 0.41 0.88 -0.05 -2.11 0.87 -0.72 -0.29 113.55 112.54 2r50 h SER 151 Ca 0.12 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.47 2r50 h SER 151 Cb 0.03 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2r50 h SER 151 CO -0.02 0.62 -0.66 1.56 -0.53 0.00 0.00 176.83 177.80 2r50 h GLN 152 N 1.04 0.68 -0.56 2.24 1.08 -1.14 -1.53 115.11 116.92 2r50 h GLN 152 Ca 0.31 -0.49 -0.05 0.00 -1.45 0.00 0.00 58.65 56.97 2r50 h GLN 152 Cb -0.05 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2r50 h GLN 152 CO -0.09 1.11 0.15 1.25 -0.95 0.00 0.00 178.83 180.31 2r50 h LEU 153 N 0.49 0.79 -0.38 1.46 5.85 -0.95 -1.62 115.31 120.95 2r50 h LEU 153 Ca -0.02 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2r50 h LEU 153 Cb 1.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2r50 h LEU 153 CO 0.13 0.76 0.03 0.58 -0.34 0.00 0.00 178.44 179.60 2r50 h VAL 154 N 0.82 1.25 -0.59 1.05 2.07 -0.81 -2.33 116.25 117.72 2r50 h VAL 154 Ca 0.18 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 2r50 h VAL 154 Cb 0.27 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2r50 h VAL 154 CO -0.00 0.32 0.09 0.00 0.02 0.00 0.00 177.57 177.99 2r50 h ALA 155 N 0.89 1.05 -0.52 1.67 0.00 -0.91 -0.82 119.26 120.63 2r50 h ALA 155 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2r50 h ALA 155 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2r50 h ALA 155 CO 0.01 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.02 2r50 h ALA 156 N 1.20 1.29 0.11 0.00 0.00 -1.17 -2.31 119.26 118.38 2r50 h ALA 156 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2r50 h ALA 156 Cb 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2r50 h ALA 156 CO 0.01 0.50 -0.06 0.82 0.00 0.00 0.00 179.25 180.53 2r50 h ILE 157 N 0.75 1.06 -0.79 0.00 5.03 -0.82 -3.28 117.51 119.47 2r50 h ILE 157 Ca 0.17 -0.77 0.14 0.00 -0.12 0.00 0.00 64.86 64.28 2r50 h ILE 157 Cb 0.24 1.54 -0.06 0.00 -3.03 0.00 0.00 36.82 35.52 2r50 h ILE 157 CO -0.01 0.18 0.52 0.11 -0.68 0.00 0.00 178.15 178.28 2r50 h LYS 158 N -0.52 0.51 0.00 2.37 1.57 -1.13 -0.92 116.57 118.46 2r50 h LYS 158 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2r50 h LYS 158 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2r50 h LYS 158 CO 0.03 0.34 0.00 2.89 -0.57 0.00 0.00 179.45 182.14 2r50 n ARG 159 N -4.50 0.22 -0.34 3.15 1.85 -0.88 -1.81 116.66 114.34 2r50 n ARG 159 Ca 0.15 0.41 0.12 0.00 -1.00 0.00 0.00 57.85 57.53 2r50 n ARG 159 Cb 0.48 -1.89 0.31 0.00 -1.05 0.00 0.00 32.46 30.30 2r50 n ARG 159 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2r50 n GLU 160 N -2.30 2.66 -0.13 2.89 -0.58 -0.36 -4.01 120.64 118.81 2r50 n GLU 160 Ca 0.02 -2.57 0.08 0.00 -0.42 0.00 0.00 57.16 54.27 2r50 n GLU 160 Cb 0.25 -1.56 0.14 0.00 -0.57 0.00 0.00 31.44 29.71 2r50 n GLU 160 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2r50 n MET 161 N 1.62 2.04 -3.89 3.49 2.81 -0.75 -4.09 117.12 118.35 2r50 n MET 161 Ca 0.24 -1.88 -0.09 0.00 -1.81 0.00 0.00 57.70 54.16 2r50 n MET 161 Cb 0.62 -1.34 -0.07 0.00 -0.71 0.00 0.00 33.22 31.71 2r50 n MET 161 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2r50 s LYS 162 N -1.15 0.95 0.73 0.03 1.02 -1.22 -4.98 119.74 115.12 2r50 s LYS 162 Ca 0.26 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 2r50 s LYS 162 Cb 0.15 0.36 0.04 0.00 -0.52 0.00 0.00 37.83 37.86 2r50 s LYS 162 CO 0.21 -0.32 1.14 -1.25 -0.92 0.00 0.00 175.35 174.21 2r50 s PRO 163 N -3.90 2.30 0.36 -1.68 0.04 -1.26 -4.89 135.00 125.98 2r50 s PRO 163 Ca 0.09 1.46 0.26 0.00 0.04 0.00 0.00 61.00 62.85 2r50 s PRO 163 Cb 0.04 -1.88 1.29 0.00 0.04 0.00 0.00 34.50 34.00 2r50 s PRO 163 CO -0.07 -1.65 1.78 -0.44 0.04 0.00 0.00 177.00 176.66 2r50 h ASP 164 N -0.51 0.00 0.00 6.66 3.32 -2.01 -3.49 116.42 120.38 2r50 h ASP 164 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2r50 h ASP 164 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2r50 h ASP 164 CO 0.51 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.03