#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwi s ILE 2 N 0.00 5.26 0.63 3.15 1.01 -1.26 -0.87 121.20 129.12 2cwi s ILE 2 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2cwi s ILE 2 Cb 0.00 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2cwi s ILE 2 CO 0.00 -0.21 1.09 -0.36 0.00 0.00 0.00 174.94 175.46 2cwi s PHE 3 N 1.69 2.78 0.22 3.97 0.40 -0.52 -5.00 117.98 121.53 2cwi s PHE 3 Ca 0.05 1.53 -0.09 0.00 -0.60 0.00 0.00 56.93 57.83 2cwi s PHE 3 Cb -0.18 -3.10 -0.07 0.00 0.51 0.00 0.00 43.02 40.18 2cwi s PHE 3 CO 0.10 -1.45 0.52 -1.54 0.70 0.00 0.00 175.22 173.56 2cwi s SER 4 N -2.67 6.59 0.13 1.36 1.04 -1.26 -4.79 113.70 114.10 2cwi s SER 4 Ca 0.66 0.86 -0.25 0.00 0.48 0.00 0.00 55.95 57.69 2cwi s SER 4 Cb -0.19 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 2cwi s SER 4 CO 0.40 -0.07 1.29 1.17 0.98 0.00 0.00 173.24 177.01 2cwi n LYS 5 N -0.17 -0.35 0.13 4.02 4.81 -1.26 -0.76 118.16 124.58 2cwi n LYS 5 Ca -0.00 1.27 0.00 0.00 -0.87 0.00 0.00 58.31 58.71 2cwi n LYS 5 Cb 0.52 -1.87 0.30 0.00 0.02 0.00 0.00 35.03 34.00 2cwi n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cwi h GLU 7 N 0.14 0.75 -0.30 0.00 4.81 -1.84 -0.15 114.58 117.99 2cwi h GLU 7 Ca 0.02 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2cwi h GLU 7 Cb 0.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2cwi h GLU 7 CO 0.05 0.99 -0.05 1.25 -0.73 0.00 0.00 179.01 180.52 2cwi h LEU 8 N 0.62 0.57 -1.26 1.64 5.85 -0.26 -2.43 115.31 120.04 2cwi h LEU 8 Ca 0.06 -0.35 0.12 0.00 0.84 0.00 0.00 57.88 58.55 2cwi h LEU 8 Cb 0.90 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 2cwi h LEU 8 CO 0.08 0.79 0.57 0.00 -0.34 0.00 0.00 178.44 179.53 2cwi h ALA 9 N 0.80 1.76 -0.11 1.25 0.00 0.00 0.27 119.26 123.24 2cwi h ALA 9 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2cwi h ALA 9 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2cwi h ALA 9 CO 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.20 2cwi h ARG 10 N 0.76 0.27 -0.25 0.00 3.08 -0.66 -1.81 114.38 115.77 2cwi h ARG 10 Ca 0.43 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.39 2cwi h ARG 10 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 2cwi h ARG 10 CO -0.19 0.67 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.13 2cwi h LYS 11 N -0.12 0.05 -0.36 0.04 1.63 -1.07 0.69 116.57 117.41 2cwi h LYS 11 Ca 0.02 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2cwi h LYS 11 Cb 0.61 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 2cwi h LYS 11 CO 0.03 0.03 0.02 -0.07 -3.45 0.00 0.00 179.45 176.00 2cwi h LEU 12 N 0.05 0.61 -0.87 5.20 3.38 -0.99 -2.17 115.31 120.52 2cwi h LEU 12 Ca 0.12 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.91 2cwi h LEU 12 Cb 0.16 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2cwi h LEU 12 CO -0.22 0.75 0.49 0.50 0.09 0.00 0.00 178.44 180.06 2cwi h LYS 13 N 0.45 0.76 0.00 1.13 3.64 -1.11 -1.10 116.57 120.34 2cwi h LYS 13 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2cwi h LYS 13 Cb 0.43 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2cwi h LYS 13 CO 0.01 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 2cwi h SER 14 N 0.78 0.00 -0.24 4.20 4.64 -0.24 -2.98 113.55 119.71 2cwi h SER 14 Ca 0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 2cwi h SER 14 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2cwi h SER 14 CO -0.29 0.00 -0.00 0.23 -0.87 0.00 0.00 176.83 175.90 2cwi n MET 15 N -2.91 2.62 -2.10 4.77 2.81 -0.80 -4.97 117.12 116.53 2cwi n MET 15 Ca 0.00 -2.84 -0.09 0.00 -1.81 0.00 0.00 57.70 52.96 2cwi n MET 15 Cb 0.25 -1.80 -0.01 0.00 -0.71 0.00 0.00 33.22 30.95 2cwi n MET 15 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cwi n GLY 16 N -0.69 0.09 0.12 3.03 0.00 -1.06 -4.95 105.19 101.73 2cwi n GLY 16 Ca 0.22 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2cwi n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2cwi h MET 17 N 0.00 0.00 -6.20 1.61 2.86 -1.42 -3.39 114.93 108.38 2cwi h MET 17 Ca -0.21 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.86 2cwi h MET 17 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 2cwi h MET 17 CO 0.25 0.18 1.30 0.34 1.06 0.00 0.00 176.91 180.04 2cwi s ASP 18 N -5.78 5.90 0.00 1.22 2.15 -1.26 -1.21 116.67 117.69 2cwi s ASP 18 Ca 0.00 1.63 0.00 0.00 0.43 0.00 0.00 52.55 54.61 2cwi s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2cwi s ASP 18 CO 0.78 -1.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 2cwi n GLY 19 N 5.31 0.75 3.67 2.66 0.00 0.12 -4.84 105.19 112.85 2cwi n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2cwi n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cwi s PHE 20 N -2.69 1.93 -1.52 1.61 5.36 -0.35 -0.28 117.98 122.04 2cwi s PHE 20 Ca 0.00 0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 55.99 2cwi s PHE 20 Cb 0.00 -4.01 0.02 0.00 -0.34 0.00 0.00 43.02 38.68 2cwi s PHE 20 CO 0.00 -4.29 0.51 1.58 -1.46 0.00 0.00 175.22 171.56 2cwi n HIS 21 N 6.78 -1.83 -0.66 10.12 -0.00 -1.26 -1.40 115.22 126.98 2cwi n HIS 21 Ca 0.17 0.44 0.00 0.00 0.46 0.00 0.00 57.72 58.80 2cwi n HIS 21 Cb 0.42 -4.15 0.00 0.00 -0.12 0.00 0.00 29.99 26.14 2cwi n HIS 21 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2cwi n GLY 22 N -1.39 1.48 3.67 1.57 0.00 0.61 -5.03 105.19 106.09 2cwi n GLY 22 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2cwi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cwi s TYR 23 N -3.58 3.37 0.67 1.61 2.02 -0.49 -4.88 117.35 116.07 2cwi s TYR 23 Ca 0.00 0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 57.20 2cwi s TYR 23 Cb 0.00 -2.54 -0.00 0.00 -0.40 0.00 0.00 41.96 39.02 2cwi s TYR 23 CO 0.00 -0.02 1.07 -1.54 -1.57 0.00 0.00 175.55 173.49 2cwi s SER 24 N 1.06 5.39 0.30 2.29 1.04 -1.26 0.11 113.70 122.62 2cwi s SER 24 Ca 0.19 1.73 0.05 0.00 0.48 0.00 0.00 55.95 58.41 2cwi s SER 24 Cb -0.15 -2.51 0.76 0.00 0.10 0.00 0.00 66.02 64.22 2cwi s SER 24 CO 0.08 -1.44 1.71 0.25 0.98 0.00 0.00 173.24 174.82 2cwi h LEU 25 N -0.34 0.42 -1.26 2.42 5.85 -1.89 -1.00 115.31 119.52 2cwi h LEU 25 Ca -0.45 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2cwi h LEU 25 Cb 1.22 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2cwi h LEU 25 CO 0.56 0.03 0.36 0.00 -0.34 0.00 0.00 178.44 179.05 2cwi h ALA 26 N 1.71 1.44 -0.52 1.25 0.00 -1.92 -1.10 119.26 120.11 2cwi h ALA 26 Ca 0.58 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2cwi h ALA 26 Cb 1.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2cwi h ALA 26 CO -0.51 0.47 0.13 -0.91 0.00 0.00 0.00 179.25 178.43 2cwi h ASN 27 N 0.87 0.79 -0.34 0.00 2.35 -1.55 -0.61 115.58 117.09 2cwi h ASN 27 Ca 0.23 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2cwi h ASN 27 Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2cwi h ASN 27 CO -0.04 0.81 -0.31 -0.50 -1.65 0.00 0.00 177.43 175.74 2cwi h TRP 28 N 0.73 1.02 -0.29 1.19 4.06 -0.93 -1.46 115.95 120.27 2cwi h TRP 28 Ca 0.16 -0.27 -0.18 0.00 2.06 0.00 0.00 58.89 60.66 2cwi h TRP 28 Cb 0.33 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 2cwi h TRP 28 CO 0.02 1.06 -0.53 0.28 -3.56 0.00 0.00 178.44 175.71 2cwi h VAL 29 N 0.73 1.28 -0.85 1.49 2.07 -1.10 -2.50 116.25 117.37 2cwi h VAL 29 Ca 0.08 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.90 2cwi h VAL 29 Cb 0.87 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2cwi h VAL 29 CO 0.08 0.56 0.56 0.00 0.02 0.00 0.00 177.57 178.79 2cwi h MET 31 N 1.14 1.04 -0.54 0.00 -1.53 -1.08 -1.83 114.93 112.13 2cwi h MET 31 Ca 0.31 -0.10 -0.08 0.00 -3.44 0.00 0.00 59.70 56.39 2cwi h MET 31 Cb -0.12 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 30.69 2cwi h MET 31 CO -0.07 0.74 0.03 0.00 0.14 0.00 0.00 176.91 177.75 2cwi h ALA 32 N 1.24 0.73 -0.09 0.39 0.00 -0.93 0.80 119.26 121.40 2cwi h ALA 32 Ca 0.27 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2cwi h ALA 32 Cb -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2cwi h ALA 32 CO -0.05 0.52 -0.26 1.49 0.00 0.00 0.00 179.25 180.96 2cwi h GLU 33 N 0.82 -0.33 0.00 0.00 4.81 -0.88 -1.60 114.58 117.40 2cwi h GLU 33 Ca 0.16 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 2cwi h GLU 33 Cb 0.49 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2cwi h GLU 33 CO 0.02 -0.22 -0.89 1.88 -0.73 0.00 0.00 179.01 179.07 2cwi h TYR 34 N -0.35 0.00 -0.14 0.92 0.05 -1.17 -0.06 116.97 116.23 2cwi h TYR 34 Ca 0.09 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 2cwi h TYR 34 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2cwi h TYR 34 CO -0.34 0.58 -0.37 0.93 -1.05 0.00 0.00 178.16 177.91 2cwi h GLU 35 N 0.00 0.50 0.00 4.88 4.39 -0.70 -3.41 114.58 120.23 2cwi h GLU 35 Ca -0.07 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2cwi h GLU 35 Cb 1.50 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2cwi h GLU 35 CO 0.06 0.97 0.00 -1.13 -1.16 0.00 0.00 179.01 177.75 2cwi n SER 36 N -4.32 0.17 -3.70 1.42 3.41 -0.62 -4.89 113.62 105.09 2cwi n SER 36 Ca -0.07 -0.90 -0.24 0.00 -0.26 0.00 0.00 58.87 57.40 2cwi n SER 36 Cb 0.52 0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 2cwi n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2cwi n ASN 37 N -0.02 -3.87 -1.14 4.04 4.05 -0.03 -2.32 115.26 115.97 2cwi n ASN 37 Ca 0.00 -0.70 -0.15 0.00 0.45 0.00 0.00 54.58 54.18 2cwi n ASN 37 Cb 0.18 -4.45 -0.06 0.00 1.23 0.00 0.00 39.78 36.68 2cwi n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2cwi n PHE 38 N -4.58 0.00 -3.56 1.20 3.01 -1.10 -4.81 117.46 107.61 2cwi n PHE 38 Ca -0.11 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.97 2cwi n PHE 38 Cb 0.60 -2.94 -0.11 0.00 -0.01 0.00 0.00 39.48 37.02 2cwi n PHE 38 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2cwi s ASN 39 N -2.61 6.05 0.55 4.37 3.84 -0.98 -1.43 114.94 124.72 2cwi s ASN 39 Ca 0.00 0.02 0.33 0.00 0.21 0.00 0.00 52.86 53.43 2cwi s ASN 39 Cb 0.00 -2.13 1.31 0.00 -0.55 0.00 0.00 41.25 39.88 2cwi s ASN 39 CO 0.00 -0.07 1.97 0.71 -2.79 0.00 0.00 177.10 176.92 2cwi h THR 40 N 5.37 0.00 -0.28 -5.21 1.35 -1.33 -2.63 112.91 110.18 2cwi h THR 40 Ca -0.35 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2cwi h THR 40 Cb 1.19 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2cwi h THR 40 CO 0.56 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 2cwi n GLN 41 N -3.09 1.90 -1.77 4.72 3.00 -1.26 -4.08 117.38 116.80 2cwi n GLN 41 Ca 0.01 -1.37 -0.39 0.00 -0.01 0.00 0.00 57.00 55.23 2cwi n GLN 41 Cb 0.32 -1.38 0.03 0.00 0.00 0.00 0.00 30.24 29.21 2cwi n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2cwi s ALA 42 N -1.63 3.05 -0.19 -1.58 0.00 -1.00 -4.77 121.76 115.65 2cwi s ALA 42 Ca 0.31 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 2cwi s ALA 42 Cb 0.17 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.78 2cwi s ALA 42 CO 0.24 -1.31 0.43 0.12 0.00 0.00 0.00 175.76 175.24 2cwi s PHE 43 N -1.24 -0.73 -0.21 0.00 5.36 -1.26 -0.84 117.98 119.05 2cwi s PHE 43 Ca 0.66 1.46 -0.01 0.00 -0.96 0.00 0.00 56.93 58.08 2cwi s PHE 43 Cb -0.43 0.30 0.06 0.00 -0.34 0.00 0.00 43.02 42.62 2cwi s PHE 43 CO 0.53 -0.43 -0.02 1.21 -1.46 0.00 0.00 175.22 175.05 2cwi s ASN 44 N 2.08 3.41 0.82 6.13 3.04 -0.64 -5.00 114.94 124.78 2cwi s ASN 44 Ca -0.05 -1.00 -0.12 0.00 0.04 0.00 0.00 52.86 51.73 2cwi s ASN 44 Cb -0.10 -0.93 0.10 0.00 -1.54 0.00 0.00 41.25 38.77 2cwi s ASN 44 CO -0.13 -0.26 1.18 -0.83 -3.04 0.00 0.00 177.10 174.02 2cwi s GLY 45 N 1.59 1.64 0.00 1.21 0.00 -1.26 -1.25 107.32 109.25 2cwi s GLY 45 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2cwi s GLY 45 CO -0.07 -0.29 0.00 0.54 0.00 0.00 0.00 173.10 173.28 2cwi n ARG 46 N -3.33 0.00 0.00 2.90 1.74 -0.92 -4.83 116.66 112.22 2cwi n ARG 46 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2cwi n ARG 46 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 2cwi n ARG 46 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2cwi n ASN 47 N 0.00 0.00 0.00 0.55 5.15 -1.26 -4.75 115.26 114.95 2cwi n ASN 47 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2cwi n ASN 47 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2cwi n ASN 47 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2cwi n SER 48 N 0.00 2.96 0.04 1.20 2.88 -1.26 -5.06 113.62 114.37 2cwi n SER 48 Ca 0.00 -0.14 -0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2cwi n SER 48 Cb 0.00 0.87 -0.00 0.00 -0.75 0.00 0.00 64.21 64.33 2cwi n SER 48 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2cwi n ASN 49 N -1.16 0.99 0.00 -3.46 3.02 -1.26 -5.06 115.26 108.33 2cwi n ASN 49 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2cwi n ASN 49 Cb 0.00 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2cwi n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cwi n GLY 50 N 3.35 2.55 3.17 7.41 0.00 -1.26 -5.10 105.19 115.31 2cwi n GLY 50 Ca -0.01 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2cwi n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cwi n SER 51 N 0.00 -3.13 -3.85 1.61 3.41 -1.26 -4.48 113.62 105.91 2cwi n SER 51 Ca 0.00 -0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 58.04 2cwi n SER 51 Cb 0.00 -0.93 -0.08 0.00 -0.26 0.00 0.00 64.21 62.94 2cwi n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cwi s SER 52 N -2.33 0.05 -0.19 4.04 0.01 -1.26 -2.16 113.70 111.86 2cwi s SER 52 Ca 0.53 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.29 2cwi s SER 52 Cb -0.11 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 2cwi s SER 52 CO 0.50 -0.59 0.07 -1.81 0.41 0.00 0.00 173.24 171.82 2cwi s ASP 53 N -2.23 5.66 -0.01 2.44 1.01 -0.38 -1.20 116.67 121.96 2cwi s ASP 53 Ca -0.03 0.08 0.07 0.00 0.71 0.00 0.00 52.55 53.37 2cwi s ASP 53 Cb 0.00 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 2cwi s ASP 53 CO -0.05 0.16 -0.22 -0.31 0.21 0.00 0.00 175.17 174.96 2cwi s TYR 54 N 0.47 2.46 0.00 4.23 1.51 0.08 -1.62 117.35 124.49 2cwi s TYR 54 Ca 0.04 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2cwi s TYR 54 Cb -0.12 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 2cwi s TYR 54 CO 0.00 0.09 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 2cwi n GLY 55 N 2.15 -2.00 0.24 0.71 0.00 -0.02 -1.10 105.19 105.17 2cwi n GLY 55 Ca -0.16 -1.40 0.08 0.00 0.00 0.00 0.00 46.02 44.53 2cwi n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2cwi h ILE 56 N 0.00 0.95 -0.41 -0.61 2.10 -1.70 -1.43 117.51 116.42 2cwi h ILE 56 Ca 0.00 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2cwi h ILE 56 Cb 0.00 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 2cwi h ILE 56 CO 0.00 0.12 0.00 0.49 -1.08 0.00 0.00 178.15 177.68 2cwi n PHE 57 N -4.19 0.57 -3.93 2.19 3.72 -1.26 -4.18 117.46 110.39 2cwi n PHE 57 Ca -0.02 -0.51 -0.35 0.00 -0.05 0.00 0.00 57.45 56.51 2cwi n PHE 57 Cb 0.20 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 2cwi n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2cwi n GLN 58 N 0.66 -1.33 -2.71 -1.08 1.13 -0.54 -4.90 117.38 108.61 2cwi n GLN 58 Ca 0.14 0.29 -0.42 0.00 -1.94 0.00 0.00 57.00 55.07 2cwi n GLN 58 Cb 0.47 -3.66 -0.03 0.00 0.11 0.00 0.00 30.24 27.14 2cwi n GLN 58 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2cwi s LEU 59 N -6.98 4.29 0.25 1.08 1.43 -0.25 -4.37 118.68 114.13 2cwi s LEU 59 Ca 0.33 1.56 -0.23 0.00 -1.03 0.00 0.00 54.13 54.75 2cwi s LEU 59 Cb -0.15 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 2cwi s LEU 59 CO 0.92 -0.37 0.83 0.21 0.23 0.00 0.00 176.35 178.16 2cwi s ASN 60 N 1.06 7.25 0.00 2.29 3.84 -1.26 -0.74 114.94 127.38 2cwi s ASN 60 Ca 0.49 1.64 0.17 0.00 0.21 0.00 0.00 52.86 55.37 2cwi s ASN 60 Cb -0.19 -2.50 0.53 0.00 -0.55 0.00 0.00 41.25 38.54 2cwi s ASN 60 CO 0.21 0.03 1.41 -1.54 -2.79 0.00 0.00 177.10 174.43 2cwi n SER 61 N 0.84 2.09 -0.02 -4.21 3.41 -0.34 -0.90 113.62 114.49 2cwi n SER 61 Ca -0.01 -1.88 -0.14 0.00 -0.26 0.00 0.00 58.87 56.58 2cwi n SER 61 Cb 0.50 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.11 2cwi n SER 61 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2cwi n LYS 62 N 0.62 0.69 -0.13 4.33 4.81 -1.26 -4.37 118.16 122.84 2cwi n LYS 62 Ca 0.15 0.25 -0.28 0.00 -0.87 0.00 0.00 58.31 57.57 2cwi n LYS 62 Cb 0.36 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.60 2cwi n LYS 62 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 2cwi n TRP 63 N -3.20 0.00 -0.06 5.64 7.02 -1.20 -1.44 117.44 124.20 2cwi n TRP 63 Ca -0.25 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.18 2cwi n TRP 63 Cb 1.06 -0.93 -0.13 0.00 -2.42 0.00 0.00 31.31 28.88 2cwi n TRP 63 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2cwi n TRP 64 N -4.16 0.00 -4.06 -5.99 7.02 -0.07 -1.99 117.44 108.18 2cwi n TRP 64 Ca -0.51 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 55.87 2cwi n TRP 64 Cb 0.86 -0.72 -0.07 0.00 -2.42 0.00 0.00 31.31 28.97 2cwi n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2cwi s LYS 66 N -4.02 3.79 0.48 0.00 2.20 -0.30 -4.36 119.74 117.53 2cwi s LYS 66 Ca 0.28 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 2cwi s LYS 66 Cb 0.02 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2cwi s LYS 66 CO 0.10 0.33 0.07 0.45 -0.36 0.00 0.00 175.35 175.94 2cwi n SER 67 N 3.34 2.45 0.15 1.43 2.88 -1.24 -1.28 113.62 121.35 2cwi n SER 67 Ca -0.17 -3.28 -0.06 0.00 -1.33 0.00 0.00 58.87 54.02 2cwi n SER 67 Cb 0.52 0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 64.64 2cwi n SER 67 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2cwi h ASN 68 N 1.46 -0.35 0.20 -3.46 4.21 -1.99 -3.36 115.58 112.29 2cwi h ASN 68 Ca -0.39 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.13 2cwi h ASN 68 Cb 1.29 0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 2cwi h ASN 68 CO 0.63 -0.12 -1.78 -0.24 -1.29 0.00 0.00 177.43 174.63 2cwi n SER 69 N -3.85 0.19 -4.25 5.81 2.88 -1.26 -4.76 113.62 108.38 2cwi n SER 69 Ca -0.05 0.05 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2cwi n SER 69 Cb 0.16 1.67 -0.06 0.00 -0.75 0.00 0.00 64.21 65.23 2cwi n SER 69 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2cwi s HIS 70 N -3.48 3.45 1.04 0.66 0.00 -1.26 -5.09 115.29 110.61 2cwi s HIS 70 Ca -0.06 -1.84 -0.14 0.00 -3.00 0.00 0.00 55.06 50.02 2cwi s HIS 70 Cb 0.13 -3.61 0.12 0.00 -4.00 0.00 0.00 32.58 25.22 2cwi s HIS 70 CO 0.88 -0.98 0.48 -1.13 -1.00 0.00 0.00 174.74 173.00 2cwi n SER 71 N 4.66 -1.78 -3.68 7.38 3.41 -1.26 -3.71 113.62 118.64 2cwi n SER 71 Ca -0.04 0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 2cwi n SER 71 Cb 0.41 -1.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.11 2cwi n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cwi s SER 72 N -2.11 -0.50 0.44 4.04 0.15 -1.26 -4.58 113.70 109.88 2cwi s SER 72 Ca 0.60 0.81 0.22 0.00 0.70 0.00 0.00 55.95 58.28 2cwi s SER 72 Cb -0.19 0.83 1.20 0.00 -1.71 0.00 0.00 66.02 66.15 2cwi s SER 72 CO 0.65 -0.31 1.83 0.00 1.20 0.00 0.00 173.24 176.62 2cwi h ALA 73 N 4.63 2.40 -6.20 5.45 0.00 -1.44 -3.47 119.26 120.64 2cwi h ALA 73 Ca -0.28 0.02 -0.47 0.00 0.00 0.00 0.00 54.91 54.17 2cwi h ALA 73 Cb 1.17 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2cwi h ALA 73 CO 0.26 -0.72 -0.74 -1.71 0.00 0.00 0.00 179.25 176.34 2cwi n ASN 74 N -4.48 -4.41 0.26 0.00 5.15 -0.93 -4.85 115.26 106.01 2cwi n ASN 74 Ca 0.21 -0.75 0.16 0.00 -0.60 0.00 0.00 54.58 53.60 2cwi n ASN 74 Cb 0.84 -3.55 0.73 0.00 -0.53 0.00 0.00 39.78 37.27 2cwi n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cwi h ALA 75 N 0.96 1.62 -0.02 5.20 0.00 -1.48 0.16 119.26 125.70 2cwi h ALA 75 Ca -0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2cwi h ALA 75 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cwi h ALA 75 CO 0.67 -0.50 -0.37 0.00 0.00 0.00 0.00 179.25 179.05 2cwi n ASN 77 N 0.18 -5.77 -3.53 0.00 3.02 0.57 -4.98 115.26 104.75 2cwi n ASN 77 Ca 0.10 -0.83 -0.15 0.00 -0.03 0.00 0.00 54.58 53.67 2cwi n ASN 77 Cb 0.48 -3.56 -0.05 0.00 -0.61 0.00 0.00 39.78 36.04 2cwi n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2cwi s ILE 78 N -3.31 0.00 -0.17 2.41 2.07 -1.26 -5.08 121.20 115.86 2cwi s ILE 78 Ca 0.33 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.31 2cwi s ILE 78 Cb -0.11 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 2cwi s ILE 78 CO 0.84 0.00 0.86 -0.04 -1.91 0.00 0.00 174.94 174.69 2cwi s MET 79 N -1.37 4.30 0.34 3.50 -1.94 -1.26 -1.15 119.30 121.71 2cwi s MET 79 Ca -0.07 1.06 0.21 0.00 -1.71 0.00 0.00 55.69 55.18 2cwi s MET 79 Cb -0.00 -3.58 1.19 0.00 2.01 0.00 0.00 34.83 34.45 2cwi s MET 79 CO 0.05 -0.35 1.34 0.00 -0.01 0.00 0.00 175.02 176.06 2cwi h SER 81 N 0.00 0.02 1.02 0.00 0.87 -1.92 -1.57 113.55 111.97 2cwi h SER 81 Ca 0.73 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.29 2cwi h SER 81 Cb 2.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.04 2cwi h SER 81 CO -0.57 -0.00 -0.06 0.11 -0.53 0.00 0.00 176.83 175.77 2cwi h LYS 82 N 0.02 0.00 -0.00 2.24 1.79 -0.88 -2.47 116.57 117.27 2cwi h LYS 82 Ca 0.64 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 2cwi h LYS 82 Cb 2.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.17 2cwi h LYS 82 CO -0.03 0.06 -0.03 1.19 -1.08 0.00 0.00 179.45 179.56 2cwi n PHE 83 N -3.18 0.00 0.29 -1.35 3.72 -0.59 -2.50 117.46 113.85 2cwi n PHE 83 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 2cwi n PHE 83 Cb 0.34 -0.26 0.27 0.00 -0.94 0.00 0.00 39.48 38.89 2cwi n PHE 83 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2cwi n LEU 84 N -1.21 3.16 -4.90 4.37 4.77 -0.93 -3.76 117.00 118.50 2cwi n LEU 84 Ca 0.14 -1.47 -0.28 0.00 -0.03 0.00 0.00 56.01 54.37 2cwi n LEU 84 Cb 0.25 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2cwi n LEU 84 CO 0.23 0.73 0.57 -1.81 -1.33 0.00 0.00 177.39 175.79 2cwi s ASP 85 N -1.26 5.80 0.15 -1.43 1.01 -1.04 -4.38 116.67 115.51 2cwi s ASP 85 Ca 0.39 0.92 -0.08 0.00 0.71 0.00 0.00 52.55 54.49 2cwi s ASP 85 Cb 0.22 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 2cwi s ASP 85 CO 0.29 -0.98 1.42 0.44 0.21 0.00 0.00 175.17 176.56 2cwi h ASP 86 N -0.18 0.83 -3.15 0.27 3.32 -1.90 -3.44 116.42 112.17 2cwi h ASP 86 Ca -0.45 -0.47 -0.53 0.00 0.02 0.00 0.00 57.03 55.60 2cwi h ASP 86 Cb 1.24 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.56 2cwi h ASP 86 CO 0.62 1.24 0.61 0.21 -1.72 0.00 0.00 179.24 180.20 2cwi s ASN 87 N -6.97 6.99 -0.11 6.45 3.84 -1.26 -4.85 114.94 119.03 2cwi s ASN 87 Ca -0.09 2.13 0.16 0.00 0.21 0.00 0.00 52.86 55.28 2cwi s ASN 87 Cb 0.10 -2.58 0.60 0.00 -0.55 0.00 0.00 41.25 38.82 2cwi s ASN 87 CO 0.88 -0.53 1.52 2.30 -2.79 0.00 0.00 177.10 178.48 2cwi n ILE 88 N 3.84 1.82 -0.34 -5.21 -5.35 -1.26 -4.49 119.36 108.36 2cwi n ILE 88 Ca 0.09 -1.33 0.02 0.00 -0.27 0.00 0.00 62.75 61.27 2cwi n ILE 88 Cb 0.45 0.10 0.19 0.00 -1.74 0.00 0.00 39.64 38.64 2cwi n ILE 88 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2cwi h ASP 89 N 3.16 1.01 -0.18 7.28 5.19 -1.98 -0.89 116.42 129.99 2cwi h ASP 89 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2cwi h ASP 89 Cb 1.34 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 2cwi h ASP 89 CO 0.20 0.66 -0.15 0.44 -3.12 0.00 0.00 179.24 177.26 2cwi h ASP 90 N 1.15 0.45 -0.46 6.45 3.32 -1.94 -1.20 116.42 124.19 2cwi h ASP 90 Ca 0.40 -0.46 0.08 0.00 0.02 0.00 0.00 57.03 57.07 2cwi h ASP 90 Cb 0.12 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2cwi h ASP 90 CO -0.15 0.82 0.06 0.44 -1.72 0.00 0.00 179.24 178.70 2cwi h ASP 91 N 0.09 -0.05 -0.33 6.45 5.19 -1.79 0.50 116.42 126.47 2cwi h ASP 91 Ca 0.03 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2cwi h ASP 91 Cb 0.68 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 2cwi h ASP 91 CO 0.04 0.00 0.20 0.40 -3.12 0.00 0.00 179.24 176.77 2cwi h ILE 92 N 0.19 1.06 -0.99 0.35 2.04 -0.98 0.24 117.51 119.42 2cwi h ILE 92 Ca 0.23 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 66.02 2cwi h ILE 92 Cb 0.31 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2cwi h ILE 92 CO -0.32 0.08 0.64 0.00 0.00 0.00 0.00 178.15 178.54 2cwi h ALA 93 N 1.13 1.40 -0.11 1.87 0.00 -0.90 0.43 119.26 123.09 2cwi h ALA 93 Ca 0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2cwi h ALA 93 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.49 2cwi h ALA 93 CO -0.04 0.39 -0.45 0.00 0.00 0.00 0.00 179.25 179.15 2cwi h ALA 95 N 0.49 1.53 -0.77 0.00 0.00 -0.11 0.79 119.26 121.19 2cwi h ALA 95 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2cwi h ALA 95 Cb 1.08 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2cwi h ALA 95 CO 0.09 0.37 0.50 0.87 0.00 0.00 0.00 179.25 181.08 2cwi h LYS 96 N 0.99 0.67 0.25 0.00 1.57 -0.92 -1.80 116.57 117.34 2cwi h LYS 96 Ca 0.35 -0.04 -0.34 0.00 -1.87 0.00 0.00 60.65 58.75 2cwi h LYS 96 Cb 0.12 -0.15 0.04 0.00 0.08 0.00 0.00 32.23 32.31 2cwi h LYS 96 CO -0.11 0.44 -1.48 -0.09 -0.57 0.00 0.00 179.45 177.64 2cwi h ARG 97 N 0.69 0.53 -0.42 3.15 9.65 -0.79 -3.28 114.38 123.91 2cwi h ARG 97 Ca 0.35 -0.91 0.04 0.00 -1.10 0.00 0.00 59.98 58.37 2cwi h ARG 97 Cb 0.45 0.34 -0.04 0.00 -1.39 0.00 0.00 29.97 29.32 2cwi h ARG 97 CO -0.13 1.43 0.18 0.28 2.80 0.00 0.00 179.97 184.54 2cwi h VAL 98 N 0.14 0.92 0.00 0.20 2.07 -0.49 -2.04 116.25 117.06 2cwi h VAL 98 Ca -0.25 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2cwi h VAL 98 Cb 2.17 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2cwi h VAL 98 CO 0.27 0.07 0.00 1.62 0.02 0.00 0.00 177.57 179.55 2cwi h VAL 99 N 0.37 0.00 0.00 2.57 3.04 -1.45 -1.97 116.25 118.81 2cwi h VAL 99 Ca 0.19 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2cwi h VAL 99 Cb 0.14 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2cwi h VAL 99 CO -0.16 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 176.51 2cwi h LYS 100 N 0.00 0.00 -7.32 4.17 1.57 -1.42 -3.35 116.57 110.22 2cwi h LYS 100 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2cwi h LYS 100 Cb 0.26 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.72 2cwi h LYS 100 CO 0.00 0.00 0.26 -0.51 -0.57 0.00 0.00 179.45 178.63 2cwi s ASP 101 N -4.40 3.63 0.49 0.86 1.11 -0.74 -4.95 116.67 112.66 2cwi s ASP 101 Ca 0.03 1.62 0.15 0.00 0.18 0.00 0.00 52.55 54.53 2cwi s ASP 101 Cb 0.09 -2.29 1.14 0.00 1.07 0.00 0.00 42.92 42.94 2cwi s ASP 101 CO 0.40 -2.56 2.08 -0.65 1.18 0.00 0.00 175.17 175.62 2cwi h PRO 102 N -1.49 0.01 0.00 8.23 0.11 -1.88 -1.33 132.00 135.65 2cwi h PRO 102 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2cwi h PRO 102 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2cwi h PRO 102 CO 0.53 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 178.50 2cwi n ASN 103 N -4.44 0.00 0.00 -2.05 4.13 -1.26 -5.01 115.26 106.63 2cwi n ASN 103 Ca -0.03 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.28 2cwi n ASN 103 Cb 0.16 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2cwi n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cwi n GLY 104 N 0.98 2.17 0.00 7.41 0.00 -0.50 -0.98 105.19 114.27 2cwi n GLY 104 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.68 2cwi n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cwi n MET 105 N 9.14 0.01 0.00 1.61 2.81 -1.26 -2.52 117.12 126.91 2cwi n MET 105 Ca 0.00 0.36 0.06 0.00 -1.81 0.00 0.00 57.70 56.31 2cwi n MET 105 Cb 0.00 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.32 2cwi n MET 105 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2cwi n SER 106 N -1.48 0.00 0.26 7.83 7.64 -0.15 -1.03 113.62 126.70 2cwi n SER 106 Ca 0.02 0.18 0.11 0.00 1.01 0.00 0.00 58.87 60.20 2cwi n SER 106 Cb 0.08 -0.33 0.72 0.00 -1.01 0.00 0.00 64.21 63.67 2cwi n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cwi h ALA 107 N 2.57 1.47 -2.20 -0.43 0.00 -1.60 -3.36 119.26 115.71 2cwi h ALA 107 Ca 0.00 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 54.13 2cwi h ALA 107 Cb 0.14 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.73 2cwi h ALA 107 CO 0.00 0.12 -0.07 -1.58 0.00 0.00 0.00 179.25 177.72 2cwi s TRP 108 N -4.45 3.11 0.39 0.00 0.51 -0.19 -4.95 118.94 113.36 2cwi s TRP 108 Ca -0.04 -0.54 0.07 0.00 -2.12 0.00 0.00 56.10 53.48 2cwi s TRP 108 Cb 0.14 -3.31 0.82 0.00 -0.81 0.00 0.00 33.47 30.32 2cwi s TRP 108 CO 0.60 -0.90 2.00 0.28 -0.51 0.00 0.00 176.95 178.42 2cwi h VAL 109 N 5.81 1.04 0.00 4.03 2.07 -1.85 -2.24 116.25 125.11 2cwi h VAL 109 Ca -0.27 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2cwi h VAL 109 Cb 1.10 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2cwi h VAL 109 CO 0.91 0.12 -0.28 0.00 0.02 0.00 0.00 177.57 178.34 2cwi h ALA 110 N 1.66 0.95 -0.06 1.67 0.00 -1.92 -0.51 119.26 121.05 2cwi h ALA 110 Ca 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2cwi h ALA 110 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2cwi h ALA 110 CO -0.07 0.34 -0.03 2.35 0.00 0.00 0.00 179.25 181.85 2cwi h TRP 111 N 0.00 0.14 -0.70 0.00 7.01 -1.70 0.20 115.95 120.90 2cwi h TRP 111 Ca -0.00 -0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.07 2cwi h TRP 111 Cb 0.90 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.84 2cwi h TRP 111 CO 0.00 0.49 0.30 0.28 -2.79 0.00 0.00 178.44 176.72 2cwi h VAL 112 N -0.25 0.76 0.00 2.65 2.07 -1.19 0.30 116.25 120.59 2cwi h VAL 112 Ca 0.01 -0.17 -0.24 0.00 0.82 0.00 0.00 66.70 67.13 2cwi h VAL 112 Cb 0.45 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2cwi h VAL 112 CO 0.01 0.09 -0.97 0.11 0.02 0.00 0.00 177.57 176.83 2cwi h LYS 113 N 0.49 0.46 0.00 1.57 1.57 -0.98 -3.37 116.57 116.31 2cwi h LYS 113 Ca 0.36 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2cwi h LYS 113 Cb 0.46 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2cwi h LYS 113 CO -0.33 1.15 0.00 0.72 -0.57 0.00 0.00 179.45 180.43 2cwi n HIS 114 N -3.76 0.00 0.00 -1.35 8.25 0.05 -4.84 115.22 113.57 2cwi n HIS 114 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2cwi n HIS 114 Cb 0.85 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2cwi n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cwi h LYS 116 N 0.00 1.09 -0.01 0.00 3.64 -0.68 -2.12 116.57 118.49 2cwi h LYS 116 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2cwi h LYS 116 Cb 0.24 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2cwi h LYS 116 CO 0.00 0.76 0.00 0.41 -2.27 0.00 0.00 179.45 178.35 2cwi n GLY 117 N -1.30 -0.69 3.76 5.01 0.00 -1.26 -4.92 105.19 105.79 2cwi n GLY 117 Ca 0.09 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2cwi n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cwi s LYS 118 N -1.99 2.83 -0.58 1.61 1.02 -0.80 -5.05 119.74 116.78 2cwi s LYS 118 Ca 0.43 -0.71 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 2cwi s LYS 118 Cb 0.21 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 2cwi s LYS 118 CO 0.34 0.56 1.29 0.34 -0.92 0.00 0.00 175.35 176.96 2cwi s ASP 119 N -2.38 6.31 -0.13 2.83 -1.08 -1.26 -4.89 116.67 116.07 2cwi s ASP 119 Ca 0.29 0.16 0.18 0.00 -0.52 0.00 0.00 52.55 52.65 2cwi s ASP 119 Cb -0.12 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.52 2cwi s ASP 119 CO 0.21 -1.59 1.64 0.18 0.52 0.00 0.00 175.17 176.14 2cwi n LEU 120 N 8.93 4.89 0.30 -1.34 4.77 -1.26 -4.55 117.00 128.74 2cwi n LEU 120 Ca 0.10 -2.53 0.17 0.00 -0.03 0.00 0.00 56.01 53.72 2cwi n LEU 120 Cb 0.49 -0.59 0.97 0.00 -2.33 0.00 0.00 43.42 41.96 2cwi n LEU 120 CO 0.71 0.79 1.11 0.77 -1.33 0.00 0.00 177.39 179.45 2cwi h SER 121 N 4.02 0.00 -0.07 -1.43 4.64 -2.02 -2.14 113.55 116.55 2cwi h SER 121 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cwi h SER 121 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 2cwi h SER 121 CO 0.27 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 2cwi n LYS 122 N -3.57 0.81 -0.27 4.77 4.76 -1.26 -4.72 118.16 118.67 2cwi n LYS 122 Ca -0.03 -1.21 -0.06 0.00 -2.87 0.00 0.00 58.31 54.15 2cwi n LYS 122 Cb 0.11 -1.17 0.06 0.00 -1.84 0.00 0.00 35.03 32.19 2cwi n LYS 122 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2cwi h TYR 123 N 1.58 1.07 -0.61 2.13 3.20 -1.68 -2.11 116.97 120.54 2cwi h TYR 123 Ca 0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2cwi h TYR 123 Cb 0.42 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2cwi h TYR 123 CO 0.04 0.78 0.00 1.28 -1.64 0.00 0.00 178.16 178.62 2cwi n LEU 124 N -4.41 4.73 0.02 2.82 4.77 -1.26 -4.65 117.00 119.02 2cwi n LEU 124 Ca 0.07 -2.39 -0.01 0.00 -0.03 0.00 0.00 56.01 53.65 2cwi n LEU 124 Cb 0.12 -0.59 0.27 0.00 -2.33 0.00 0.00 43.42 40.90 2cwi n LEU 124 CO 0.39 0.74 0.86 0.00 -1.33 0.00 0.00 177.39 178.05 2cwi h ALA 125 N 4.06 1.29 0.00 -1.18 0.00 -1.67 -1.45 119.26 120.30 2cwi h ALA 125 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2cwi h ALA 125 Cb 1.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2cwi h ALA 125 CO 0.27 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.65 2cwi h SER 126 N 0.44 0.00 -3.55 0.00 4.64 -1.82 -3.45 113.55 109.81 2cwi h SER 126 Ca 0.09 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.89 2cwi h SER 126 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2cwi h SER 126 CO 0.03 0.00 0.42 0.00 -0.87 0.00 0.00 176.83 176.40 2cwi s ASN 128 N -0.03 6.40 0.00 0.00 0.01 -1.26 -5.09 114.94 114.98 2cwi s ASN 128 Ca 0.48 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 2cwi s ASN 128 Cb -0.26 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 38.99 2cwi s ASN 128 CO 0.32 -1.02 0.38 0.18 -1.51 0.00 0.00 177.10 175.45