#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn n ALA 23 N 0.00 2.53 -3.74 -1.18 0.00 -1.26 -4.91 120.51 111.95 1umn n ALA 23 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1umn n ALA 23 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1umn n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1umn n ASP 24 N -2.52 -0.73 -0.08 0.00 5.68 -1.26 -5.04 116.55 112.61 1umn n ASP 24 Ca -0.05 -2.32 -0.10 0.00 -0.50 0.00 0.00 54.79 51.83 1umn n ASP 24 Cb 0.63 1.45 -0.02 0.00 -1.14 0.00 0.00 41.12 42.04 1umn n ASP 24 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1umn h SER 25 N 1.32 0.32 -0.68 -1.12 0.02 -1.95 -2.41 113.55 109.05 1umn h SER 25 Ca -0.17 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1umn h SER 25 Cb 0.78 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1umn h SER 25 CO 0.24 0.28 0.37 0.11 -1.14 0.00 0.00 176.83 176.69 1umn h LYS 26 N 0.34 0.65 -0.53 3.45 1.57 -1.97 -0.13 116.57 119.96 1umn h LYS 26 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1umn h LYS 26 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1umn h LYS 26 CO -0.02 0.43 0.27 0.00 -0.57 0.00 0.00 179.45 179.57 1umn h ALA 27 N 1.37 0.68 -0.06 3.86 0.00 -1.91 -0.61 119.26 122.59 1umn h ALA 27 Ca 0.31 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1umn h ALA 27 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1umn h ALA 27 CO -0.20 0.22 -0.59 -0.24 0.00 0.00 0.00 179.25 178.44 1umn h VAL 28 N 0.70 1.39 -0.61 0.00 3.04 -1.03 -0.69 116.25 119.06 1umn h VAL 28 Ca 0.18 -1.97 -0.02 0.00 -1.01 0.00 0.00 66.70 63.89 1umn h VAL 28 Cb 0.09 2.01 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 1umn h VAL 28 CO -0.03 0.58 0.31 -0.07 -1.01 0.00 0.00 177.57 177.35 1umn h LEU 29 N 0.14 0.77 -0.72 3.16 3.38 -0.58 0.55 115.31 122.01 1umn h LEU 29 Ca -0.00 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1umn h LEU 29 Cb 1.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1umn h LEU 29 CO 0.09 0.66 -0.31 -1.13 0.09 0.00 0.00 178.44 177.85 1umn h ASN 30 N 0.82 0.66 -0.70 -0.43 -1.24 -0.86 -0.87 115.58 112.96 1umn h ASN 30 Ca 0.21 -0.26 0.03 0.00 0.71 0.00 0.00 56.30 56.99 1umn h ASN 30 Cb 0.08 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 1umn h ASN 30 CO -0.03 0.92 0.45 -0.61 -1.29 0.00 0.00 177.43 176.87 1umn h GLN 31 N 0.54 0.85 -0.69 6.67 5.75 -0.54 -1.57 115.11 126.13 1umn h GLN 31 Ca 0.07 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1umn h GLN 31 Cb 0.80 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1umn h GLN 31 CO 0.07 0.56 0.27 0.00 -2.65 0.00 0.00 178.83 177.08 1umn h ALA 32 N 1.29 0.89 -0.54 3.38 0.00 -0.30 0.27 119.26 124.26 1umn h ALA 32 Ca 0.28 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1umn h ALA 32 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1umn h ALA 32 CO -0.10 0.52 0.26 0.28 0.00 0.00 0.00 179.25 180.21 1umn h VAL 33 N 0.98 0.93 -0.07 0.00 2.07 -0.48 0.30 116.25 119.99 1umn h VAL 33 Ca 0.23 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1umn h VAL 33 Cb 0.22 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1umn h VAL 33 CO -0.02 0.09 -0.00 0.00 0.02 0.00 0.00 177.57 177.66 1umn h ALA 34 N 1.30 0.10 -0.63 1.67 0.00 -0.83 -2.18 119.26 118.69 1umn h ALA 34 Ca 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1umn h ALA 34 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1umn h ALA 34 CO -0.18 -0.21 0.02 -0.44 0.00 0.00 0.00 179.25 178.44 1umn h ASP 35 N -0.17 1.07 -0.37 0.00 3.32 -0.69 -2.12 116.42 117.46 1umn h ASP 35 Ca 0.02 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1umn h ASP 35 Cb 0.36 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1umn h ASP 35 CO 0.00 1.10 0.06 -0.07 -1.72 0.00 0.00 179.24 178.62 1umn h LEU 36 N 1.00 0.65 -0.43 1.55 3.38 -0.43 0.31 115.31 121.35 1umn h LEU 36 Ca 0.18 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1umn h LEU 36 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1umn h LEU 36 CO 0.03 0.68 0.03 0.28 0.09 0.00 0.00 178.44 179.55 1umn h SER 37 N 0.67 0.71 -0.11 -0.43 0.02 -1.05 0.25 113.55 113.61 1umn h SER 37 Ca 0.14 -0.29 -0.19 0.00 -0.84 0.00 0.00 61.79 60.62 1umn h SER 37 Cb 0.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1umn h SER 37 CO 0.01 0.82 -0.62 0.58 -1.14 0.00 0.00 176.83 176.47 1umn h VAL 38 N 0.58 1.30 -0.80 2.27 2.07 -1.11 -2.54 116.25 118.01 1umn h VAL 38 Ca 0.12 -1.85 0.02 0.00 0.82 0.00 0.00 66.70 65.82 1umn h VAL 38 Cb 0.44 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1umn h VAL 38 CO 0.02 0.59 0.52 0.00 0.02 0.00 0.00 177.57 178.71 1umn h ALA 39 N 0.76 1.04 -0.65 1.67 0.00 -0.21 -0.89 119.26 120.98 1umn h ALA 39 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1umn h ALA 39 Cb 1.22 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1umn h ALA 39 CO 0.13 0.37 0.40 1.25 0.00 0.00 0.00 179.25 181.39 1umn h HIS 40 N 1.03 0.74 -0.62 0.00 6.17 -0.80 -0.95 115.15 120.73 1umn h HIS 40 Ca 0.31 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.39 1umn h HIS 40 Cb -0.05 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 29.62 1umn h HIS 40 CO -0.02 0.41 0.31 1.03 0.71 0.00 0.00 177.93 180.36 1umn h SER 41 N 0.77 0.80 -0.45 3.26 0.87 -0.93 -1.59 113.55 116.28 1umn h SER 41 Ca 0.27 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1umn h SER 41 Cb 0.05 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1umn h SER 41 CO -0.12 0.70 0.11 0.40 -0.53 0.00 0.00 176.83 177.39 1umn h ILE 42 N 0.85 1.23 -0.95 2.23 2.04 -0.74 -1.39 117.51 120.77 1umn h ILE 42 Ca 0.21 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.30 1umn h ILE 42 Cb 0.10 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1umn h ILE 42 CO -0.03 0.29 0.62 -0.07 0.00 0.00 0.00 178.15 178.96 1umn h LEU 43 N 0.59 1.05 -0.60 1.44 3.38 -0.99 -0.54 115.31 119.64 1umn h LEU 43 Ca 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1umn h LEU 43 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1umn h LEU 43 CO 0.00 0.73 0.15 -0.74 0.09 0.00 0.00 178.44 178.67 1umn h HIS 44 N 1.22 1.00 -0.34 1.13 2.76 -0.98 0.47 115.15 120.41 1umn h HIS 44 Ca 0.37 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1umn h HIS 44 Cb -0.03 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 1umn h HIS 44 CO -0.01 0.84 0.22 0.37 -1.30 0.00 0.00 177.93 178.05 1umn h GLN 45 N 0.87 0.43 -0.47 5.26 4.15 -0.53 0.30 115.11 125.12 1umn h GLN 45 Ca 0.19 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1umn h GLN 45 Cb 0.34 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1umn h GLN 45 CO 0.00 0.29 0.30 0.28 -1.93 0.00 0.00 178.83 177.77 1umn h VAL 46 N 0.45 1.09 -0.30 2.39 2.07 -0.71 -0.86 116.25 120.36 1umn h VAL 46 Ca 0.13 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1umn h VAL 46 Cb -0.04 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1umn h VAL 46 CO -0.04 0.11 0.01 -0.74 0.02 0.00 0.00 177.57 176.93 1umn h HIS 47 N 0.61 0.01 -0.15 1.57 -0.00 -0.48 -2.32 115.15 114.38 1umn h HIS 47 Ca 0.18 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 1umn h HIS 47 Cb -0.04 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1umn h HIS 47 CO -0.05 -0.04 -0.28 -1.49 -0.00 0.00 0.00 177.93 176.07 1umn h TRP 48 N 0.10 0.56 -0.01 5.26 6.55 -0.59 -3.32 115.95 124.50 1umn h TRP 48 Ca 0.15 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.78 1umn h TRP 48 Cb 0.19 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1umn h TRP 48 CO -0.21 0.90 -0.00 0.66 -1.05 0.00 0.00 178.44 178.74 1umn n TYR 49 N -4.41 0.00 -1.82 0.49 4.02 -0.36 -4.95 117.16 110.13 1umn n TYR 49 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.41 1umn n TYR 49 Cb 0.46 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1umn n TYR 49 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1umn s MET 50 N -2.01 4.15 -0.07 -0.72 1.75 -0.88 -4.41 119.30 117.11 1umn s MET 50 Ca 0.40 2.53 -0.11 0.00 -1.25 0.00 0.00 55.69 57.26 1umn s MET 50 Cb 0.21 -3.06 0.02 0.00 2.84 0.00 0.00 34.83 34.85 1umn s MET 50 CO 0.35 -0.62 0.27 1.03 -0.65 0.00 0.00 175.02 175.40 1umn s ARG 51 N -0.05 0.43 0.00 4.11 0.52 -1.26 -5.04 118.95 117.66 1umn s ARG 51 Ca 0.65 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1umn s ARG 51 Cb -0.47 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.20 1umn s ARG 51 CO 0.43 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.08 1umn n GLY 52 N 2.35 3.37 3.72 -3.53 0.00 -1.26 -3.77 105.19 106.07 1umn n GLY 52 Ca -0.16 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1umn n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umn n ARG 53 N -1.39 2.71 0.00 1.61 5.12 -1.26 -1.26 116.66 122.20 1umn n ARG 53 Ca 0.00 0.98 0.00 0.00 -1.93 0.00 0.00 57.85 56.90 1umn n ARG 53 Cb 0.00 -2.81 0.00 0.00 -1.16 0.00 0.00 32.46 28.49 1umn n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1umn n GLY 54 N 3.77 0.61 0.16 -0.13 0.00 -1.26 -4.94 105.19 103.40 1umn n GLY 54 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1umn n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1umn h PHE 55 N 0.00 0.12 -0.15 1.61 3.57 -1.54 -0.29 116.94 120.26 1umn h PHE 55 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1umn h PHE 55 Cb 0.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1umn h PHE 55 CO 0.00 0.02 0.12 1.98 -2.23 0.00 0.00 178.31 178.20 1umn h MET 56 N 0.20 0.00 0.00 1.11 4.05 -1.94 0.14 114.93 118.49 1umn h MET 56 Ca 0.17 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.42 1umn h MET 56 Cb 0.20 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1umn h MET 56 CO -0.23 0.00 -0.97 0.82 0.23 0.00 0.00 176.91 176.76 1umn h ILE 57 N 0.00 0.94 0.00 1.77 1.08 -1.89 -3.40 117.51 116.02 1umn h ILE 57 Ca 0.07 -2.07 -0.06 0.00 -0.39 0.00 0.00 64.86 62.41 1umn h ILE 57 Cb 0.31 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 1umn h ILE 57 CO -0.00 0.32 -0.29 -0.50 -0.69 0.00 0.00 178.15 176.99 1umn h TRP 58 N -1.00 0.00 0.44 1.37 4.06 -0.87 -2.95 115.95 117.00 1umn h TRP 58 Ca -0.26 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.67 1umn h TRP 58 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1umn h TRP 58 CO 0.09 0.29 -0.21 1.25 -3.56 0.00 0.00 178.44 176.31 1umn h HIS 59 N 0.00 -0.55 0.00 0.49 2.76 -0.92 -2.00 115.15 114.93 1umn h HIS 59 Ca -0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1umn h HIS 59 Cb 1.19 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1umn h HIS 59 CO 0.00 -0.27 -0.27 -1.00 -1.30 0.00 0.00 177.93 175.10 1umn h PRO 60 N -0.73 0.00 -0.47 5.26 0.13 -1.77 -2.62 132.00 131.80 1umn h PRO 60 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1umn h PRO 60 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1umn h PRO 60 CO 0.10 0.27 0.07 -0.22 -0.23 0.00 0.00 178.00 177.98 1umn h LYS 61 N 0.00 0.74 -0.38 0.86 1.63 -1.32 -1.36 116.57 116.74 1umn h LYS 61 Ca -0.00 -0.16 0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1umn h LYS 61 Cb 0.60 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1umn h LYS 61 CO 0.03 0.70 0.25 0.52 -3.45 0.00 0.00 179.45 177.51 1umn h MET 62 N 0.71 0.41 -0.38 1.90 2.86 -0.96 0.07 114.93 119.53 1umn h MET 62 Ca 0.15 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1umn h MET 62 Cb 0.33 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1umn h MET 62 CO 0.01 0.27 -0.20 0.22 1.06 0.00 0.00 176.91 178.27 1umn h ASP 63 N 0.43 0.73 -0.37 1.22 3.58 -1.29 0.12 116.42 120.84 1umn h ASP 63 Ca 0.15 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 1umn h ASP 63 Cb 0.08 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1umn h ASP 63 CO -0.03 0.92 0.02 -0.33 -2.88 0.00 0.00 179.24 176.94 1umn h GLU 64 N 0.64 0.64 -0.81 0.28 5.08 -0.68 -1.23 114.58 118.51 1umn h GLU 64 Ca 0.10 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1umn h GLU 64 Cb 0.68 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1umn h GLU 64 CO 0.05 0.73 0.45 1.88 -1.00 0.00 0.00 179.01 181.13 1umn h TYR 65 N 0.47 1.10 -0.75 4.33 0.99 -0.79 -0.65 116.97 121.68 1umn h TYR 65 Ca 0.11 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1umn h TYR 65 Cb 0.42 -0.35 -0.04 0.00 1.00 0.00 0.00 36.73 37.76 1umn h TYR 65 CO 0.03 0.76 0.43 0.52 -0.00 0.00 0.00 178.16 179.90 1umn h MET 66 N 1.12 1.03 -0.79 4.88 2.86 -0.50 0.00 114.93 123.52 1umn h MET 66 Ca 0.29 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1umn h MET 66 Cb 0.01 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.43 1umn h MET 66 CO -0.05 0.75 0.34 1.49 1.06 0.00 0.00 176.91 180.50 1umn h GLU 67 N 1.03 1.17 -0.40 1.72 4.81 -0.51 0.03 114.58 122.43 1umn h GLU 67 Ca 0.26 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1umn h GLU 67 Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1umn h GLU 67 CO -0.05 0.93 0.11 1.49 -0.73 0.00 0.00 179.01 180.76 1umn h GLU 68 N 1.15 0.63 -0.74 1.92 4.81 -0.52 -1.42 114.58 120.40 1umn h GLU 68 Ca 0.27 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1umn h GLU 68 Cb 0.18 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1umn h GLU 68 CO -0.03 0.64 0.47 0.82 -0.73 0.00 0.00 179.01 180.19 1umn h ILE 69 N 0.50 1.20 -0.93 2.32 1.08 -0.47 -1.12 117.51 120.09 1umn h ILE 69 Ca 0.13 -0.38 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 1umn h ILE 69 Cb 0.29 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 1umn h ILE 69 CO -0.00 0.19 0.61 0.44 -0.69 0.00 0.00 178.15 178.71 1umn h ASP 70 N 1.00 1.03 -0.44 1.72 3.45 -0.79 -1.27 116.42 121.11 1umn h ASP 70 Ca 0.27 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.72 1umn h ASP 70 Cb -0.09 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.42 1umn h ASP 70 CO -0.06 0.72 0.29 1.23 -1.57 0.00 0.00 179.24 179.85 1umn h GLY 71 N 1.20 0.62 1.25 2.75 0.00 -0.10 0.03 103.07 108.80 1umn h GLY 71 Ca 0.36 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1umn h GLY 71 CO -0.10 0.22 -0.04 -0.97 0.00 0.00 0.00 176.54 175.65 1umn h TYR 72 N 0.58 0.98 -0.80 5.60 0.05 -0.83 -1.78 116.97 120.77 1umn h TYR 72 Ca 0.16 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1umn h TYR 72 Cb -0.06 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.39 1umn h TYR 72 CO -0.05 0.90 0.39 1.25 -1.05 0.00 0.00 178.16 179.60 1umn h LEU 73 N 0.82 1.04 0.36 3.88 5.85 -0.86 -0.18 115.31 126.22 1umn h LEU 73 Ca 0.15 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1umn h LEU 73 Cb 0.55 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1umn h LEU 73 CO 0.03 0.87 -0.17 0.44 -0.34 0.00 0.00 178.44 179.27 1umn h ASP 74 N 1.14 -0.41 -0.18 1.25 3.32 -0.62 -0.13 116.42 120.77 1umn h ASP 74 Ca 0.28 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.35 1umn h ASP 74 Cb 0.11 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1umn h ASP 74 CO -0.04 -0.28 0.05 -0.33 -1.72 0.00 0.00 179.24 176.93 1umn h GLU 75 N -0.51 0.12 -0.17 3.56 4.39 -1.00 -2.00 114.58 118.97 1umn h GLU 75 Ca -0.05 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.43 1umn h GLU 75 Cb 0.39 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1umn h GLU 75 CO 0.08 0.08 -0.74 0.52 -1.16 0.00 0.00 179.01 177.80 1umn h MET 76 N 0.13 0.78 -0.31 2.33 2.86 -1.04 -1.67 114.93 118.01 1umn h MET 76 Ca 0.08 -0.61 -0.08 0.00 -2.06 0.00 0.00 59.70 57.03 1umn h MET 76 Cb 0.07 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1umn h MET 76 CO -0.10 1.22 -0.12 0.66 1.06 0.00 0.00 176.91 179.64 1umn h SER 77 N 0.54 0.64 -0.58 1.22 4.64 -1.04 -1.44 113.55 117.54 1umn h SER 77 Ca -0.04 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 1umn h SER 77 Cb 1.36 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1umn h SER 77 CO 0.15 0.89 0.24 -0.33 -0.87 0.00 0.00 176.83 176.91 1umn h GLU 78 N 0.40 0.90 -0.52 4.77 5.08 -1.39 -0.55 114.58 123.27 1umn h GLU 78 Ca 0.07 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1umn h GLU 78 Cb 0.63 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1umn h GLU 78 CO 0.04 0.74 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.54 1umn h ARG 79 N 0.88 1.03 -0.48 2.33 9.65 -1.16 -0.69 114.38 125.94 1umn h ARG 79 Ca 0.21 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 1umn h ARG 79 Cb 0.18 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1umn h ARG 79 CO -0.02 1.10 0.24 1.25 2.80 0.00 0.00 179.97 185.34 1umn h LEU 80 N 0.90 0.62 -0.50 3.80 5.85 -0.65 -1.13 115.31 124.20 1umn h LEU 80 Ca 0.13 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1umn h LEU 80 Cb 0.74 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1umn h LEU 80 CO 0.06 0.56 0.30 0.40 -0.34 0.00 0.00 178.44 179.42 1umn h ILE 81 N 0.63 1.15 -0.29 4.05 2.04 -0.97 0.13 117.51 124.26 1umn h ILE 81 Ca 0.17 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1umn h ILE 81 Cb 0.09 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1umn h ILE 81 CO -0.02 0.16 0.19 0.74 0.00 0.00 0.00 178.15 179.21 1umn h THR 82 N 0.67 1.08 -0.11 -0.27 2.02 -0.67 -0.25 112.91 115.38 1umn h THR 82 Ca 0.18 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1umn h THR 82 Cb -0.01 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1umn h THR 82 CO -0.03 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.11 1umn n LEU 83 N -4.49 0.76 0.00 2.58 4.77 -0.47 -4.87 117.00 115.28 1umn n LEU 83 Ca 0.01 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1umn n LEU 83 Cb 0.07 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1umn n LEU 83 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1umn n GLY 84 N 0.86 0.61 3.29 -0.72 0.00 -0.10 -5.06 105.19 104.06 1umn n GLY 84 Ca 0.11 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 1umn n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umn n GLY 85 N -2.68 0.19 2.75 -0.02 0.00 0.40 -5.00 105.19 100.83 1umn n GLY 85 Ca 0.00 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 1umn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1umn s ALA 86 N -3.31 1.27 0.36 4.61 0.00 -1.26 -4.44 121.76 118.99 1umn s ALA 86 Ca 0.58 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 1umn s ALA 86 Cb -0.03 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1umn s ALA 86 CO 0.39 -1.36 1.21 -1.25 0.00 0.00 0.00 175.76 174.75 1umn s PRO 87 N 1.74 4.21 0.40 0.00 0.04 -1.26 -4.96 135.00 135.17 1umn s PRO 87 Ca 0.02 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 1umn s PRO 87 Cb -0.17 -2.87 -0.11 0.00 0.04 0.00 0.00 34.50 31.39 1umn s PRO 87 CO -0.15 -0.22 1.21 1.19 0.04 0.00 0.00 177.00 179.07 1umn n PHE 88 N 0.44 1.93 -2.46 0.56 0.99 -1.26 -4.88 117.46 112.78 1umn n PHE 88 Ca 0.02 0.53 -0.02 0.00 -0.00 0.00 0.00 57.45 57.99 1umn n PHE 88 Cb 0.45 -2.35 0.03 0.00 -1.00 0.00 0.00 39.48 36.61 1umn n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1umn n SER 89 N 0.42 -0.22 -3.91 4.37 3.41 -1.26 -4.95 113.62 111.48 1umn n SER 89 Ca 0.07 -2.07 -0.10 0.00 -0.26 0.00 0.00 58.87 56.51 1umn n SER 89 Cb 0.38 0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1umn n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1umn s THR 90 N -0.70 0.10 0.33 6.66 -4.23 -1.26 -5.06 115.64 111.49 1umn s THR 90 Ca 0.15 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1umn s THR 90 Cb 0.27 -0.54 0.26 0.00 1.34 0.00 0.00 72.50 73.83 1umn s THR 90 CO -0.08 -0.48 2.00 -0.07 -0.54 0.00 0.00 174.62 175.45 1umn h LEU 91 N 4.15 0.80 -0.10 4.79 3.38 -1.99 -1.94 115.31 124.41 1umn h LEU 91 Ca -0.32 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1umn h LEU 91 Cb 1.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1umn h LEU 91 CO 0.44 0.58 0.03 0.50 0.09 0.00 0.00 178.44 180.08 1umn h LYS 92 N 0.95 0.08 -0.65 1.13 3.64 -1.99 0.42 116.57 120.14 1umn h LYS 92 Ca 0.26 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1umn h LYS 92 Cb -0.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1umn h LYS 92 CO -0.06 0.05 0.32 0.93 -2.27 0.00 0.00 179.45 178.42 1umn h GLU 93 N 0.08 0.94 0.60 1.90 5.08 -1.89 -0.60 114.58 120.68 1umn h GLU 93 Ca 0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1umn h GLU 93 Cb 0.02 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1umn h GLU 93 CO -0.05 0.75 -0.29 0.74 -1.00 0.00 0.00 179.01 179.16 1umn h PHE 94 N 0.90 -0.74 -0.36 4.33 0.05 -1.07 -1.38 116.94 118.67 1umn h PHE 94 Ca 0.23 -0.02 0.04 0.00 3.82 0.00 0.00 57.97 62.04 1umn h PHE 94 Cb 0.11 0.25 -0.04 0.00 2.00 0.00 0.00 35.95 38.27 1umn h PHE 94 CO 0.00 -0.46 0.14 1.03 -0.18 0.00 0.00 178.31 178.84 1umn h SER 95 N -0.80 0.17 -0.25 2.17 0.87 -0.79 -1.02 113.55 113.90 1umn h SER 95 Ca -0.08 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.36 1umn h SER 95 Cb 0.61 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1umn h SER 95 CO 0.13 0.14 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.85 1umn h GLU 96 N 0.30 0.80 0.00 2.24 5.08 -1.11 -3.27 114.58 118.62 1umn h GLU 96 Ca 0.16 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1umn h GLU 96 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1umn h GLU 96 CO -0.15 1.05 -0.75 -0.91 -1.00 0.00 0.00 179.01 177.25 1umn h ASN 97 N 0.65 0.00 -4.02 1.42 2.35 -1.15 -3.46 115.58 111.37 1umn h ASN 97 Ca 0.05 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.29 1umn h ASN 97 Cb 0.96 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.40 1umn h ASN 97 CO 0.09 0.48 0.50 -0.55 -1.65 0.00 0.00 177.43 176.30 1umn s SER 98 N -6.21 5.93 0.00 5.81 0.15 -0.39 -4.88 113.70 114.10 1umn s SER 98 Ca 0.02 2.38 0.25 0.00 0.70 0.00 0.00 55.95 59.30 1umn s SER 98 Cb 0.08 -2.61 0.62 0.00 -1.71 0.00 0.00 66.02 62.40 1umn s SER 98 CO 0.76 -1.09 1.50 0.00 1.20 0.00 0.00 173.24 175.61 1umn n GLN 99 N -0.70 2.02 -3.16 5.44 6.02 -1.26 -4.90 117.38 120.84 1umn n GLN 99 Ca 0.08 -1.49 -0.35 0.00 -0.01 0.00 0.00 57.00 55.23 1umn n GLN 99 Cb 0.48 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 1umn n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1umn s LEU 100 N -1.91 4.28 -0.09 1.08 1.43 -1.26 -5.07 118.68 117.14 1umn s LEU 100 Ca 0.33 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1umn s LEU 100 Cb 0.20 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1umn s LEU 100 CO 0.31 -0.01 -0.13 -0.54 0.23 0.00 0.00 176.35 176.21 1umn s LYS 101 N -2.21 2.94 0.04 1.70 1.02 -1.26 -5.06 119.74 116.91 1umn s LYS 101 Ca 0.45 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.77 1umn s LYS 101 Cb -0.15 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1umn s LYS 101 CO 0.20 0.43 0.08 -1.21 -0.92 0.00 0.00 175.35 173.93 1umn s GLU 102 N -0.23 2.95 0.24 1.68 2.02 -1.26 -5.11 118.70 118.99 1umn s GLU 102 Ca 0.01 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.46 1umn s GLU 102 Cb -0.13 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 1umn s GLU 102 CO 0.03 0.60 -0.10 0.14 0.02 0.00 0.00 175.26 175.95 1umn s VAL 103 N -1.30 1.64 0.55 2.63 -7.23 -1.26 -5.13 120.40 110.30 1umn s VAL 103 Ca 0.26 -2.16 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 1umn s VAL 103 Cb -0.12 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1umn s VAL 103 CO 0.18 -0.45 1.31 -0.76 -0.31 0.00 0.00 175.10 175.08 1umn s LEU 104 N -3.37 3.82 0.49 1.32 1.43 -1.26 -4.95 118.68 116.17 1umn s LEU 104 Ca 0.26 2.65 -0.23 0.00 -1.03 0.00 0.00 54.13 55.78 1umn s LEU 104 Cb 0.02 -4.34 -0.07 0.00 0.03 0.00 0.00 46.19 41.83 1umn s LEU 104 CO 0.09 -1.54 1.33 -0.83 0.23 0.00 0.00 176.35 175.63 1umn s GLY 105 N -1.12 2.88 -0.17 -3.19 0.00 -1.26 -5.03 107.32 99.44 1umn s GLY 105 Ca 0.72 1.27 -0.04 0.00 0.00 0.00 0.00 44.72 46.67 1umn s GLY 105 CO 0.44 1.81 0.25 -0.35 0.00 0.00 0.00 173.10 175.24 1umn s ASP 106 N -0.91 0.80 0.60 1.64 -1.08 -1.26 -5.03 116.67 111.44 1umn s ASP 106 Ca 0.66 0.20 0.38 0.00 -0.52 0.00 0.00 52.55 53.26 1umn s ASP 106 Cb -0.38 0.57 1.78 0.00 -1.46 0.00 0.00 42.92 43.43 1umn s ASP 106 CO 0.47 -0.28 2.14 1.88 0.52 0.00 0.00 175.17 179.90 1umn h TYR 107 N 8.30 0.00 0.00 -5.34 -1.99 -1.96 -3.01 116.97 112.96 1umn h TYR 107 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1umn h TYR 107 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1umn h TYR 107 CO 0.26 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.51 1umn n ASN 108 N -3.09 0.00 -4.75 3.88 5.03 -1.26 -4.59 115.26 110.47 1umn n ASN 108 Ca -0.01 0.39 -0.41 0.00 0.87 0.00 0.00 54.58 55.42 1umn n ASN 108 Cb 0.22 -0.46 -0.02 0.00 -1.02 0.00 0.00 39.78 38.50 1umn n ASN 108 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1umn s VAL 109 N -2.92 2.62 0.71 2.41 1.01 -1.14 -4.96 120.40 118.13 1umn s VAL 109 Ca 0.14 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1umn s VAL 109 Cb 0.16 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1umn s VAL 109 CO 0.44 0.10 1.07 0.42 0.00 0.00 0.00 175.10 177.13 1umn s THR 110 N -0.39 3.90 0.22 3.92 -4.23 -1.26 -4.65 115.64 113.15 1umn s THR 110 Ca 0.56 0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 61.61 1umn s THR 110 Cb -0.42 -3.33 0.17 0.00 1.34 0.00 0.00 72.50 70.26 1umn s THR 110 CO 0.47 -0.81 1.83 0.40 -0.54 0.00 0.00 174.62 175.97 1umn h ILE 111 N -0.78 1.00 -0.12 2.99 1.08 -1.93 -0.52 117.51 119.23 1umn h ILE 111 Ca -0.44 -0.27 -0.10 0.00 -0.39 0.00 0.00 64.86 63.66 1umn h ILE 111 Cb 1.22 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1umn h ILE 111 CO 0.56 0.15 -0.38 -0.33 -0.69 0.00 0.00 178.15 177.45 1umn h GLU 112 N 0.80 0.25 -0.34 2.37 5.08 -1.93 -1.22 114.58 119.59 1umn h GLU 112 Ca 0.33 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1umn h GLU 112 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1umn h GLU 112 CO -0.18 0.60 -0.34 0.93 -1.00 0.00 0.00 179.01 179.03 1umn h GLU 113 N 0.21 0.76 -0.39 2.33 5.08 -1.78 -1.16 114.58 119.63 1umn h GLU 113 Ca 0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1umn h GLU 113 Cb 0.78 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1umn h GLU 113 CO 0.06 0.98 0.25 1.96 -1.00 0.00 0.00 179.01 181.26 1umn h GLN 114 N 0.64 0.52 -0.43 2.33 1.08 -0.51 -0.46 115.11 118.29 1umn h GLN 114 Ca 0.07 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1umn h GLN 114 Cb 0.87 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1umn h GLN 114 CO 0.08 0.37 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.19 1umn h LEU 115 N 0.52 0.72 -1.16 1.46 4.07 -1.11 -1.76 115.31 118.04 1umn h LEU 115 Ca 0.14 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 1umn h LEU 115 Cb -0.03 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1umn h LEU 115 CO -0.03 0.83 -0.16 0.00 -1.08 0.00 0.00 178.44 178.00 1umn h ALA 116 N 1.24 1.30 -0.50 1.53 0.00 -0.80 -0.73 119.26 121.32 1umn h ALA 116 Ca 0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1umn h ALA 116 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1umn h ALA 116 CO 0.03 0.46 -0.06 -0.09 0.00 0.00 0.00 179.25 179.60 1umn h ARG 117 N 0.36 0.91 -0.64 0.00 9.65 -0.43 -1.86 114.38 122.37 1umn h ARG 117 Ca 0.07 -0.32 -0.04 0.00 -1.10 0.00 0.00 59.98 58.59 1umn h ARG 117 Cb 0.50 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1umn h ARG 117 CO 0.03 0.97 0.26 0.28 2.80 0.00 0.00 179.97 184.31 1umn h VAL 118 N 0.77 1.23 -0.67 0.20 2.07 -0.64 -1.46 116.25 117.76 1umn h VAL 118 Ca 0.13 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1umn h VAL 118 Cb 0.60 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1umn h VAL 118 CO 0.04 0.29 0.41 0.58 0.02 0.00 0.00 177.57 178.91 1umn h VAL 119 N 0.90 1.07 -0.58 2.57 2.07 -0.99 0.15 116.25 121.44 1umn h VAL 119 Ca 0.21 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1umn h VAL 119 Cb 0.20 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1umn h VAL 119 CO -0.02 0.15 0.36 -0.33 0.02 0.00 0.00 177.57 177.75 1umn h GLU 120 N 0.80 0.78 -0.28 1.57 5.08 -0.82 0.12 114.58 121.83 1umn h GLU 120 Ca 0.27 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1umn h GLU 120 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1umn h GLU 120 CO -0.11 0.55 0.14 0.28 -1.00 0.00 0.00 179.01 178.86 1umn h VAL 121 N 0.78 1.15 -0.29 3.13 2.07 -0.60 -1.97 116.25 120.52 1umn h VAL 121 Ca 0.21 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1umn h VAL 121 Cb -0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1umn h VAL 121 CO -0.04 0.15 -0.05 -0.26 0.02 0.00 0.00 177.57 177.39 1umn h PHE 122 N 0.33 0.48 -0.60 1.57 -1.00 -0.24 -1.24 116.94 116.24 1umn h PHE 122 Ca 0.10 -0.05 -0.10 0.00 2.81 0.00 0.00 57.97 60.72 1umn h PHE 122 Cb 0.12 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 1umn h PHE 122 CO -0.02 0.51 -0.02 0.00 -1.61 0.00 0.00 178.31 177.17 1umn h ARG 123 N 0.43 1.06 -0.16 1.51 3.08 -0.53 -0.09 114.38 119.68 1umn h ARG 123 Ca 0.09 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1umn h ARG 123 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1umn h ARG 123 CO 0.02 1.05 0.08 -0.92 -1.07 0.00 0.00 179.97 179.13 1umn h TYR 124 N 0.97 0.23 -0.90 3.04 3.20 -0.86 -1.74 116.97 120.91 1umn h TYR 124 Ca 0.17 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1umn h TYR 124 Cb 0.58 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1umn h TYR 124 CO 0.04 0.24 0.54 -0.07 -1.64 0.00 0.00 178.16 177.27 1umn h LEU 125 N 0.15 1.08 -0.79 2.82 3.38 -0.98 0.14 115.31 121.11 1umn h LEU 125 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1umn h LEU 125 Cb 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1umn h LEU 125 CO -0.01 0.83 0.51 0.00 0.09 0.00 0.00 178.44 179.85 1umn h ALA 126 N 1.30 1.00 -0.40 1.53 0.00 -0.80 0.24 119.26 122.12 1umn h ALA 126 Ca 0.32 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1umn h ALA 126 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1umn h ALA 126 CO -0.06 0.44 -0.30 0.00 0.00 0.00 0.00 179.25 179.33 1umn h ALA 127 N 1.28 0.71 -0.31 0.00 0.00 -0.70 -0.74 119.26 119.49 1umn h ALA 127 Ca 0.29 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1umn h ALA 127 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1umn h ALA 127 CO -0.06 0.67 0.19 1.25 0.00 0.00 0.00 179.25 181.30 1umn h LEU 128 N 0.74 0.37 -1.48 0.00 5.85 0.02 -1.56 115.31 119.25 1umn h LEU 128 Ca 0.08 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1umn h LEU 128 Cb 0.86 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1umn h LEU 128 CO 0.08 0.30 0.01 -0.26 -0.34 0.00 0.00 178.44 178.23 1umn h PHE 129 N 0.41 0.35 -0.36 1.25 0.05 -0.28 0.32 116.94 118.69 1umn h PHE 129 Ca 0.11 -0.02 -0.12 0.00 3.82 0.00 0.00 57.97 61.76 1umn h PHE 129 Cb -0.00 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 37.83 1umn h PHE 129 CO -0.04 0.35 -0.29 0.37 -0.18 0.00 0.00 178.31 178.52 1umn h GLN 130 N 0.34 0.75 -0.49 1.51 5.75 -0.71 0.09 115.11 122.35 1umn h GLN 130 Ca 0.08 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.19 1umn h GLN 130 Cb 0.21 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1umn h GLN 130 CO 0.00 0.94 0.06 0.87 -2.65 0.00 0.00 178.83 178.06 1umn h LYS 131 N 0.64 0.82 -0.60 1.69 6.56 -0.25 -0.18 116.57 125.25 1umn h LYS 131 Ca 0.08 -0.23 -0.05 0.00 -1.06 0.00 0.00 60.65 59.39 1umn h LYS 131 Cb 0.80 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.35 1umn h LYS 131 CO 0.07 0.83 0.18 0.78 -2.06 0.00 0.00 179.45 179.24 1umn h GLY 132 N 0.69 0.97 0.91 3.86 0.00 -0.71 -0.28 103.07 108.50 1umn h GLY 132 Ca 0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1umn h GLY 132 CO 0.01 0.51 0.02 -2.75 0.00 0.00 0.00 176.54 174.33 1umn h PHE 133 N 0.88 0.04 -0.35 5.60 3.57 -0.62 -1.54 116.94 124.53 1umn h PHE 133 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1umn h PHE 133 Cb 0.27 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1umn h PHE 133 CO 0.02 0.12 0.20 -0.44 -2.23 0.00 0.00 178.31 175.98 1umn h ASP 134 N -0.05 0.43 -0.25 0.41 3.32 -0.64 -1.58 116.42 118.06 1umn h ASP 134 Ca 0.01 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1umn h ASP 134 Cb 0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1umn h ASP 134 CO -0.00 0.38 0.08 0.58 -1.72 0.00 0.00 179.24 178.56 1umn h VAL 135 N 0.45 1.19 -0.12 -1.35 2.07 -1.00 -1.48 116.25 116.00 1umn h VAL 135 Ca 0.12 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1umn h VAL 135 Cb 0.04 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1umn h VAL 135 CO -0.02 0.20 -0.30 0.77 0.02 0.00 0.00 177.57 178.23 1umn h SER 136 N 0.24 0.23 -0.27 0.57 4.64 -1.25 -1.92 113.55 115.79 1umn h SER 136 Ca 0.08 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1umn h SER 136 Cb 0.23 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1umn h SER 136 CO -0.00 0.53 -0.20 -0.78 -0.87 0.00 0.00 176.83 175.51 1umn h ASP 137 N 0.20 0.64 0.03 4.97 3.58 -1.12 0.63 116.42 125.34 1umn h ASP 137 Ca 0.03 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 1umn h ASP 137 Cb 0.64 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1umn h ASP 137 CO 0.05 0.95 -0.12 -0.08 -2.88 0.00 0.00 179.24 177.16 1umn h GLU 138 N 0.33 0.21 -0.01 0.28 4.81 -0.96 -1.56 114.58 117.68 1umn h GLU 138 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1umn h GLU 138 Cb 0.74 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1umn h GLU 138 CO 0.05 0.33 -0.11 0.39 -0.73 0.00 0.00 179.01 178.95 1umn n GLU 139 N -4.30 1.39 -1.60 1.92 1.02 -0.75 -4.94 120.64 113.39 1umn n GLU 139 Ca -0.01 -0.85 -0.08 0.00 -0.02 0.00 0.00 57.16 56.20 1umn n GLU 139 Cb 0.25 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 1umn n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1umn n GLY 140 N 1.25 0.59 3.20 0.62 0.00 -0.23 -4.94 105.19 105.68 1umn n GLY 140 Ca 0.16 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1umn n GLY 140 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1umn n ASP 141 N 0.69 5.36 -0.20 1.61 -0.08 0.20 -4.84 116.55 119.30 1umn n ASP 141 Ca -0.08 -3.08 0.11 0.00 -1.51 0.00 0.00 54.79 50.23 1umn n ASP 141 Cb 0.38 -1.48 0.42 0.00 2.34 0.00 0.00 41.12 42.78 1umn n ASP 141 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1umn h SER 142 N 6.42 0.56 0.00 1.67 4.64 -1.93 -1.00 113.55 123.91 1umn h SER 142 Ca 0.31 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1umn h SER 142 Cb 0.76 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1umn h SER 142 CO 1.35 0.31 -0.00 0.58 -0.87 0.00 0.00 176.83 178.20 1umn h VAL 143 N 0.61 1.22 -0.99 0.95 2.07 -1.96 -1.60 116.25 116.54 1umn h VAL 143 Ca 0.37 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1umn h VAL 143 Cb 0.60 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1umn h VAL 143 CO -0.14 0.17 0.66 0.74 0.02 0.00 0.00 177.57 179.01 1umn h THR 144 N -0.28 1.24 -0.62 2.57 2.02 -1.87 -2.32 112.91 113.65 1umn h THR 144 Ca -0.00 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.77 1umn h THR 144 Cb 0.28 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.43 1umn h THR 144 CO 0.00 0.24 0.36 -1.13 0.37 0.00 0.00 175.52 175.36 1umn h ASN 145 N 1.33 0.55 -0.62 4.18 -0.73 -1.00 -2.10 115.58 117.19 1umn h ASN 145 Ca 0.37 0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.48 1umn h ASN 145 Cb -0.13 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 1umn h ASN 145 CO -0.09 0.37 0.06 -0.78 -0.37 0.00 0.00 177.43 176.62 1umn h ASP 146 N 0.68 1.02 -0.42 1.15 1.82 -0.77 -2.08 116.42 117.83 1umn h ASP 146 Ca 0.27 -0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1umn h ASP 146 Cb 0.12 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 1umn h ASP 146 CO -0.15 1.04 0.16 0.40 -1.61 0.00 0.00 179.24 179.08 1umn h ILE 147 N 0.98 0.90 -0.61 2.25 2.04 -0.95 -0.77 117.51 121.35 1umn h ILE 147 Ca 0.19 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1umn h ILE 147 Cb 0.48 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1umn h ILE 147 CO 0.02 0.06 0.08 -0.26 0.00 0.00 0.00 178.15 178.05 1umn h PHE 148 N 0.34 1.10 -0.46 1.37 -1.00 -1.33 -2.25 116.94 114.71 1umn h PHE 148 Ca 0.19 -0.16 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1umn h PHE 148 Cb 0.16 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1umn h PHE 148 CO -0.14 0.95 0.29 -0.97 -1.61 0.00 0.00 178.31 176.83 1umn h ASN 149 N 0.94 0.55 -0.56 2.17 -0.00 -0.71 0.15 115.58 118.12 1umn h ASN 149 Ca 0.18 -0.05 -0.09 0.00 -0.00 0.00 0.00 56.30 56.35 1umn h ASN 149 Cb 0.46 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.62 1umn h ASN 149 CO 0.02 0.43 0.01 0.58 -0.00 0.00 0.00 177.43 178.47 1umn h VAL 150 N 0.62 1.26 -0.43 2.57 2.07 -1.10 -1.43 116.25 119.81 1umn h VAL 150 Ca 0.17 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 1umn h VAL 150 Cb -0.02 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1umn h VAL 150 CO -0.03 0.39 -0.19 0.00 0.02 0.00 0.00 177.57 177.76 1umn h ALA 151 N 0.97 0.60 -0.59 1.67 0.00 -1.15 -2.62 119.26 118.13 1umn h ALA 151 Ca 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1umn h ALA 151 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1umn h ALA 151 CO 0.03 0.56 0.36 -0.22 0.00 0.00 0.00 179.25 179.98 1umn h LYS 152 N 0.72 0.80 -0.09 0.00 3.64 -0.53 -1.72 116.57 119.40 1umn h LYS 152 Ca 0.10 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1umn h LYS 152 Cb 0.75 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1umn h LYS 152 CO 0.06 0.56 -0.13 0.00 -2.27 0.00 0.00 179.45 177.67 1umn h ALA 153 N 1.19 -0.08 -0.56 5.00 0.00 -1.08 -0.84 119.26 122.88 1umn h ALA 153 Ca 0.21 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1umn h ALA 153 Cb -0.04 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1umn h ALA 153 CO -0.04 -0.60 -0.09 1.03 0.00 0.00 0.00 179.25 179.55 1umn h SER 154 N -0.18 1.05 -0.47 0.00 0.87 -1.33 -2.37 113.55 111.12 1umn h SER 154 Ca 0.08 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1umn h SER 154 Cb 0.29 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1umn h SER 154 CO -0.19 1.14 0.28 0.40 -0.53 0.00 0.00 176.83 177.93 1umn h ILE 155 N 0.93 1.15 -0.41 2.23 1.08 -1.11 -1.93 117.51 119.45 1umn h ILE 155 Ca 0.15 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1umn h ILE 155 Cb 0.66 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1umn h ILE 155 CO 0.05 0.15 0.11 -0.33 -0.69 0.00 0.00 178.15 177.44 1umn h GLU 156 N 0.62 0.61 -0.67 2.37 5.08 -1.04 -1.23 114.58 120.32 1umn h GLU 156 Ca 0.17 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1umn h GLU 156 Cb 0.01 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1umn h GLU 156 CO -0.03 0.56 0.18 -0.22 -1.00 0.00 0.00 179.01 178.49 1umn h LYS 157 N 0.60 1.06 -0.58 2.33 3.64 -0.99 -1.82 116.57 120.80 1umn h LYS 157 Ca 0.14 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1umn h LYS 157 Cb 0.22 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1umn h LYS 157 CO -0.00 0.94 0.09 0.45 -2.27 0.00 0.00 179.45 178.65 1umn h HIS 158 N 0.99 0.99 -0.79 1.91 3.86 -0.57 -2.36 115.15 119.18 1umn h HIS 158 Ca 0.21 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1umn h HIS 158 Cb 0.34 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 1umn h HIS 158 CO 0.03 0.85 0.49 0.82 0.86 0.00 0.00 177.93 180.98 1umn h ILE 159 N 0.89 1.08 -0.23 2.45 2.04 -0.74 0.27 117.51 123.26 1umn h ILE 159 Ca 0.18 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1umn h ILE 159 Cb 0.40 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1umn h ILE 159 CO 0.01 0.17 0.14 -0.25 0.00 0.00 0.00 178.15 178.22 1umn h TRP 160 N 0.94 0.25 -0.49 1.37 7.01 -0.85 -0.32 115.95 123.87 1umn h TRP 160 Ca 0.33 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.25 1umn h TRP 160 Cb 0.08 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 1umn h TRP 160 CO -0.04 0.15 -0.03 0.52 -2.79 0.00 0.00 178.44 176.26 1umn h MET 161 N 0.28 0.88 -0.38 2.65 0.00 -0.92 0.50 114.93 117.93 1umn h MET 161 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 59.70 59.47 1umn h MET 161 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 31.60 31.50 1umn h MET 161 CO -0.04 0.93 0.14 -0.07 0.00 0.00 0.00 176.91 177.87 1umn h LEU 162 N 0.73 0.54 -0.67 1.22 3.38 -0.87 -0.69 115.31 118.95 1umn h LEU 162 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1umn h LEU 162 Cb 0.55 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1umn h LEU 162 CO 0.03 0.57 0.28 1.56 0.09 0.00 0.00 178.44 180.97 1umn h GLN 163 N 0.47 1.00 -0.58 1.13 1.08 -0.89 -1.61 115.11 115.71 1umn h GLN 163 Ca 0.13 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1umn h GLN 163 Cb 0.21 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 1umn h GLN 163 CO -0.01 0.82 0.35 0.00 -0.95 0.00 0.00 178.83 179.05 1umn h ALA 164 N 1.12 0.74 -0.73 3.87 0.00 -0.57 0.13 119.26 123.83 1umn h ALA 164 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1umn h ALA 164 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1umn h ALA 164 CO -0.02 0.09 0.48 1.49 0.00 0.00 0.00 179.25 181.29 1umn h GLU 165 N 0.70 0.92 -0.04 0.00 4.57 -0.69 0.67 114.58 120.71 1umn h GLU 165 Ca 0.23 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1umn h GLU 165 Cb 0.01 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1umn h GLU 165 CO -0.10 0.61 0.00 1.28 -1.18 0.00 0.00 179.01 179.62 1umn n LEU 166 N -4.44 0.21 -1.06 1.64 4.77 -0.45 -4.89 117.00 112.79 1umn n LEU 166 Ca 0.08 -0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1umn n LEU 166 Cb 0.07 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1umn n LEU 166 CO 0.36 0.05 -0.13 0.61 -1.33 0.00 0.00 177.39 176.95 1umn n GLY 167 N 0.62 0.70 3.49 -0.72 0.00 0.23 -5.02 105.19 104.49 1umn n GLY 167 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1umn n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1umn s GLN 168 N -3.64 1.71 0.68 1.61 -0.21 0.32 -4.98 119.66 115.15 1umn s GLN 168 Ca 0.00 -1.93 -0.11 0.00 0.02 0.00 0.00 55.36 53.33 1umn s GLN 168 Cb 0.00 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 32.83 1umn s GLN 168 CO 0.00 -0.08 1.08 0.00 -2.12 0.00 0.00 175.29 174.17 1umn s ALA 169 N -3.04 2.95 0.23 6.09 0.00 -1.26 -3.26 121.76 123.46 1umn s ALA 169 Ca 0.34 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 1umn s ALA 169 Cb 0.08 -3.04 0.21 0.00 0.00 0.00 0.00 23.12 20.37 1umn s ALA 169 CO 0.15 -1.03 1.86 -1.35 0.00 0.00 0.00 175.76 175.39 1umn h PRO 170 N -0.57 1.25 -6.08 0.00 0.11 -1.88 -3.46 132.00 121.37 1umn h PRO 170 Ca -0.45 -0.14 -0.43 0.00 0.11 0.00 0.00 66.00 65.09 1umn h PRO 170 Cb 1.24 -0.25 0.05 0.00 0.11 0.00 0.00 31.00 32.15 1umn h PRO 170 CO 0.63 0.91 -0.77 1.63 -0.21 0.00 0.00 178.00 180.19 1umn n LYS 171 N -4.34 -5.92 0.00 1.05 5.02 -1.26 -4.89 118.16 107.81 1umn n LYS 171 Ca 0.10 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1umn n LYS 171 Cb 0.09 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.59 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16