#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 1.95 0.54 0.58 1.01 -1.26 -0.44 121.20 123.58 2cwi s ILE 2 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.36 2cwi s ILE 2 Cb 0.00 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 2cwi s ILE 2 CO 0.00 0.25 0.96 -0.36 0.00 0.00 0.00 174.94 175.79 2cwi s PHE 3 N 1.27 3.53 0.52 3.97 0.40 -0.84 -5.02 117.98 121.82 2cwi s PHE 3 Ca -0.01 1.29 -0.05 0.00 -0.60 0.00 0.00 56.93 57.56 2cwi s PHE 3 Cb -0.16 -2.68 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 2cwi s PHE 3 CO -0.09 -0.45 0.82 -1.54 0.70 0.00 0.00 175.22 174.66 2cwi s SER 4 N -3.59 5.93 0.13 1.36 1.04 -1.26 -4.80 113.70 112.52 2cwi s SER 4 Ca 0.55 0.75 -0.23 0.00 0.48 0.00 0.00 55.95 57.51 2cwi s SER 4 Cb -0.10 -1.93 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 2cwi s SER 4 CO 0.41 -0.79 1.65 0.50 0.98 0.00 0.00 173.24 175.99 2cwi h LYS 5 N 0.09 -0.24 -0.24 4.02 3.64 -1.98 -1.83 116.57 120.02 2cwi h LYS 5 Ca -0.46 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 2cwi h LYS 5 Cb 1.23 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2cwi h LYS 5 CO 0.61 -0.16 -0.17 0.00 -2.27 0.00 0.00 179.45 177.45 2cwi h GLU 7 N 0.38 0.42 -0.06 0.00 4.81 -1.89 -1.01 114.58 117.24 2cwi h GLU 7 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2cwi h GLU 7 Cb 0.53 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2cwi h GLU 7 CO 0.03 0.36 -0.03 1.25 -0.73 0.00 0.00 179.01 179.89 2cwi h LEU 8 N 0.37 0.14 -0.61 1.64 5.85 -1.15 -2.11 115.31 119.44 2cwi h LEU 8 Ca 0.11 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.53 2cwi h LEU 8 Cb 0.06 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.94 2cwi h LEU 8 CO -0.02 0.53 -0.11 0.00 -0.34 0.00 0.00 178.44 178.50 2cwi h ALA 9 N 0.61 0.46 -0.44 1.25 0.00 -0.70 0.15 119.26 120.59 2cwi h ALA 9 Ca 0.01 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2cwi h ALA 9 Cb 0.48 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2cwi h ALA 9 CO 0.01 -0.42 0.17 0.00 0.00 0.00 0.00 179.25 179.00 2cwi h ARG 10 N 0.03 0.67 0.62 0.00 3.08 -1.12 0.21 114.38 117.87 2cwi h ARG 10 Ca 0.30 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2cwi h ARG 10 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2cwi h ARG 10 CO -0.60 0.63 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.39 2cwi h LYS 11 N 0.57 -0.83 -0.87 0.04 1.63 -0.94 -1.25 116.57 114.93 2cwi h LYS 11 Ca 0.15 0.06 0.09 0.00 -0.85 0.00 0.00 60.65 60.09 2cwi h LYS 11 Cb 0.21 0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 31.96 2cwi h LYS 11 CO -0.01 -0.55 0.52 -0.07 -3.45 0.00 0.00 179.45 175.88 2cwi h LEU 12 N -0.86 0.77 -0.12 5.20 3.38 -0.62 -2.57 115.31 120.48 2cwi h LEU 12 Ca -0.08 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2cwi h LEU 12 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2cwi h LEU 12 CO 0.12 0.45 -0.06 0.50 0.09 0.00 0.00 178.44 179.54 2cwi h LYS 13 N 0.88 -0.05 -0.35 1.13 3.64 -0.39 -2.47 116.57 118.97 2cwi h LYS 13 Ca 0.41 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.89 2cwi h LYS 13 Cb 0.32 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2cwi h LYS 13 CO -0.23 -0.03 0.52 0.66 -2.27 0.00 0.00 179.45 178.10 2cwi h SER 14 N -0.05 0.00 -0.49 4.20 4.64 -0.93 -2.59 113.55 118.33 2cwi h SER 14 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2cwi h SER 14 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2cwi h SER 14 CO -0.15 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.04 2cwi n MET 15 N -3.38 3.87 -0.96 4.77 2.81 -0.97 -4.98 117.12 118.28 2cwi n MET 15 Ca 0.06 -2.92 0.00 0.00 -1.81 0.00 0.00 57.70 53.03 2cwi n MET 15 Cb 0.67 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.43 0.46 0.16 3.03 0.00 -0.98 -4.96 105.19 103.34 2cwi n GLY 16 Ca 0.24 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.56 0.00 -6.33 1.61 2.86 -1.64 -3.39 114.93 108.60 2cwi h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 2cwi h MET 17 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2cwi h MET 17 CO 0.00 0.02 1.15 0.34 1.06 0.00 0.00 176.91 179.48 2cwi s ASP 18 N -5.79 6.25 0.00 1.22 2.15 -1.26 -1.80 116.67 117.44 2cwi s ASP 18 Ca 0.03 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.36 2cwi s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2cwi s ASP 18 CO 0.73 -1.41 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 2cwi n GLY 19 N 4.94 0.73 3.66 2.66 0.00 0.66 -4.85 105.19 112.99 2cwi n GLY 19 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 1.85 -1.97 1.61 5.36 -0.74 -1.09 117.98 120.30 2cwi s PHE 20 Ca 0.00 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 2cwi s PHE 20 Cb 0.00 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 2cwi s PHE 20 CO 0.00 -4.11 0.00 1.58 -1.46 0.00 0.00 175.22 171.23 2cwi n HIS 21 N 7.34 -0.43 -0.42 10.12 -0.00 -1.26 -1.89 115.22 128.68 2cwi n HIS 21 Ca 0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.36 2cwi n HIS 21 Cb 0.43 -3.62 0.00 0.00 -0.12 0.00 0.00 29.99 26.68 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 -0.72 0.74 3.62 1.57 0.00 -0.25 -5.04 105.19 105.11 2cwi n GLY 22 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.53 3.25 0.85 1.61 2.02 -0.79 -4.89 117.35 116.88 2cwi s TYR 23 Ca 0.00 0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.66 2cwi s TYR 23 Cb 0.00 -2.22 0.10 0.00 -0.40 0.00 0.00 41.96 39.45 2cwi s TYR 23 CO 0.00 0.01 1.09 -1.54 -1.57 0.00 0.00 175.55 173.54 2cwi s SER 24 N 0.99 3.87 0.29 2.29 1.04 -1.26 -0.25 113.70 120.68 2cwi s SER 24 Ca 0.06 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.05 2cwi s SER 24 Cb -0.14 -2.25 0.50 0.00 0.10 0.00 0.00 66.02 64.23 2cwi s SER 24 CO 0.03 -2.39 1.90 0.25 0.98 0.00 0.00 173.24 174.01 2cwi h LEU 25 N -1.38 0.94 -0.53 2.42 5.85 -1.89 -2.01 115.31 118.70 2cwi h LEU 25 Ca -0.48 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.29 2cwi h LEU 25 Cb 1.27 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2cwi h LEU 25 CO 0.54 0.60 0.29 0.00 -0.34 0.00 0.00 178.44 179.53 2cwi h ALA 26 N 1.50 0.68 -0.50 1.25 0.00 -1.92 -1.50 119.26 118.78 2cwi h ALA 26 Ca 0.40 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.38 2cwi h ALA 26 Cb 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2cwi h ALA 26 CO -0.15 -0.04 0.21 -0.91 0.00 0.00 0.00 179.25 178.35 2cwi h ASN 27 N 0.56 0.25 -0.35 0.00 4.21 -1.73 -0.85 115.58 117.67 2cwi h ASN 27 Ca 0.23 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 2cwi h ASN 27 Cb 0.11 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 2cwi h ASN 27 CO -0.14 0.17 0.15 -0.50 -1.29 0.00 0.00 177.43 175.82 2cwi h TRP 28 N 0.40 0.52 -0.73 1.19 4.06 -1.11 -0.95 115.95 119.33 2cwi h TRP 28 Ca 0.23 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.11 2cwi h TRP 28 Cb 0.21 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 2cwi h TRP 28 CO -0.14 0.47 0.33 0.28 -3.56 0.00 0.00 178.44 175.82 2cwi h VAL 29 N 0.42 1.24 -0.26 1.49 2.07 -1.24 -2.75 116.25 117.23 2cwi h VAL 29 Ca 0.12 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 2cwi h VAL 29 Cb 0.16 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2cwi h VAL 29 CO -0.01 0.30 -0.37 0.00 0.02 0.00 0.00 177.57 177.50 2cwi h MET 31 N 0.48 0.74 -0.14 0.00 -1.53 -0.96 -2.12 114.93 111.40 2cwi h MET 31 Ca 0.05 -0.04 -0.20 0.00 -3.44 0.00 0.00 59.70 56.06 2cwi h MET 31 Cb 0.86 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.75 2cwi h MET 31 CO 0.07 0.49 -0.73 0.00 0.14 0.00 0.00 176.91 176.89 2cwi h ALA 32 N 1.43 0.45 -0.22 0.39 0.00 -1.08 0.01 119.26 120.25 2cwi h ALA 32 Ca 0.38 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2cwi h ALA 32 Cb 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2cwi h ALA 32 CO -0.24 0.71 -0.14 1.49 0.00 0.00 0.00 179.25 181.08 2cwi h GLU 33 N 0.45 -0.12 0.00 0.00 4.81 -0.88 -2.20 114.58 116.63 2cwi h GLU 33 Ca -0.04 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2cwi h GLU 33 Cb 1.33 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 2cwi h GLU 33 CO 0.14 -0.08 -0.86 1.88 -0.73 0.00 0.00 179.01 179.36 2cwi h TYR 34 N -0.13 0.00 0.03 0.92 0.05 -1.32 0.17 116.97 116.69 2cwi h TYR 34 Ca 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 2cwi h TYR 34 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2cwi h TYR 34 CO -0.30 0.62 -0.02 0.93 -1.05 0.00 0.00 178.16 178.35 2cwi h GLU 35 N 0.00 -0.04 0.00 4.88 4.39 -0.96 -3.41 114.58 119.44 2cwi h GLU 35 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2cwi h GLU 35 Cb 1.52 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2cwi h GLU 35 CO 0.07 0.52 0.00 -1.13 -1.16 0.00 0.00 179.01 177.31 2cwi n SER 36 N -4.83 0.68 -4.16 1.42 3.41 -0.85 -4.88 113.62 104.41 2cwi n SER 36 Ca -0.09 -1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 57.03 2cwi n SER 36 Cb 0.29 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.07 -3.63 -1.19 4.04 5.15 0.59 -1.71 115.26 118.45 2cwi n ASN 37 Ca 0.00 -0.96 -0.14 0.00 -0.60 0.00 0.00 54.58 52.87 2cwi n ASN 37 Cb 0.18 -2.98 -0.05 0.00 -0.53 0.00 0.00 39.78 36.39 2cwi n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2cwi n PHE 38 N -4.45 -0.11 -3.61 1.20 3.72 -1.10 -4.83 117.46 108.29 2cwi n PHE 38 Ca 0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.08 2cwi n PHE 38 Cb 0.50 -2.63 -0.11 0.00 -0.94 0.00 0.00 39.48 36.30 2cwi n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2cwi s ASN 39 N -2.77 5.74 0.63 4.37 3.84 -0.70 -1.98 114.94 124.08 2cwi s ASN 39 Ca 0.00 -0.49 0.41 0.00 0.21 0.00 0.00 52.86 52.99 2cwi s ASN 39 Cb 0.00 -2.05 2.11 0.00 -0.55 0.00 0.00 41.25 40.76 2cwi s ASN 39 CO 0.00 -0.21 2.26 0.71 -2.79 0.00 0.00 177.10 177.07 2cwi h THR 40 N 5.60 0.00 -0.71 -5.21 1.35 -1.06 -2.17 112.91 110.71 2cwi h THR 40 Ca -0.32 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2cwi h THR 40 Cb 1.15 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2cwi h THR 40 CO 0.62 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.89 2cwi n GLN 41 N -3.08 2.91 -1.67 4.72 3.00 -1.26 -4.04 117.38 117.96 2cwi n GLN 41 Ca -0.02 -2.70 -0.44 0.00 -0.01 0.00 0.00 57.00 53.83 2cwi n GLN 41 Cb 0.14 -1.62 -0.02 0.00 0.00 0.00 0.00 30.24 28.74 2cwi n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2cwi n ALA 42 N 1.54 0.91 -3.17 -1.58 0.00 -0.82 -4.82 120.51 112.58 2cwi n ALA 42 Ca 0.25 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 2cwi n ALA 42 Cb 0.67 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 2cwi n ALA 42 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2cwi s PHE 43 N -0.52 -0.22 -0.23 0.00 5.36 -1.26 -0.87 117.98 120.24 2cwi s PHE 43 Ca 0.63 0.53 -0.03 0.00 -0.96 0.00 0.00 56.93 57.10 2cwi s PHE 43 Cb -0.64 0.06 0.10 0.00 -0.34 0.00 0.00 43.02 42.20 2cwi s PHE 43 CO 0.55 -0.12 0.20 1.21 -1.46 0.00 0.00 175.22 175.61 2cwi s ASN 44 N 0.26 2.01 0.92 6.13 2.47 -0.77 -5.02 114.94 120.94 2cwi s ASN 44 Ca -0.01 -0.61 -0.14 0.00 0.42 0.00 0.00 52.86 52.52 2cwi s ASN 44 Cb -0.03 0.18 0.19 0.00 -1.45 0.00 0.00 41.25 40.14 2cwi s ASN 44 CO -0.01 -0.37 1.27 -0.83 -3.72 0.00 0.00 177.10 173.45 2cwi s GLY 45 N 2.26 1.77 -1.50 1.21 0.00 -1.26 -1.79 107.32 108.02 2cwi s GLY 45 Ca 0.07 -1.26 -0.14 0.00 0.00 0.00 0.00 44.72 43.39 2cwi s GLY 45 CO -0.21 -0.53 0.73 0.54 0.00 0.00 0.00 173.10 173.63 2cwi n ARG 46 N -3.62 -3.90 -0.51 2.90 1.74 -1.24 -4.93 116.66 107.10 2cwi n ARG 46 Ca 0.15 0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 57.41 2cwi n ARG 46 Cb 0.60 -5.25 0.24 0.00 -1.02 0.00 0.00 32.46 27.03 2cwi n ARG 46 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2cwi n ASN 47 N -2.56 -2.03 -0.14 0.55 3.02 -1.18 -4.82 115.26 108.10 2cwi n ASN 47 Ca 0.03 -0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 2cwi n ASN 47 Cb 0.52 -1.17 -0.00 0.00 -0.61 0.00 0.00 39.78 38.51 2cwi n ASN 47 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2cwi h SER 48 N -2.61 0.59 0.15 6.41 4.64 -1.93 0.11 113.55 120.93 2cwi h SER 48 Ca -0.61 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2cwi h SER 48 Cb 1.34 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2cwi h SER 48 CO 0.47 0.62 0.00 -0.46 -0.87 0.00 0.00 176.83 176.59 2cwi n ASN 49 N -4.61 0.00 0.00 4.97 0.23 -1.26 -4.85 115.26 109.74 2cwi n ASN 49 Ca 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2cwi n ASN 49 Cb 0.16 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 2cwi n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2cwi n GLY 50 N -0.37 2.25 2.80 4.83 0.00 0.38 -4.97 105.19 110.11 2cwi n GLY 50 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 1.76 -2.21 -4.22 1.61 3.41 -1.26 -3.66 113.62 109.05 2cwi n SER 51 Ca 0.00 -0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.38 2cwi n SER 51 Cb 0.00 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.30 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 -1.15 1.82 -0.12 4.04 0.01 -1.26 -3.12 113.70 113.92 2cwi s SER 52 Ca 0.07 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 56.48 2cwi s SER 52 Cb -0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2cwi s SER 52 CO 0.08 -0.17 0.07 -1.81 0.41 0.00 0.00 173.24 171.82 2cwi s ASP 53 N -2.40 5.77 -0.05 2.44 -0.00 -0.74 -0.96 116.67 120.74 2cwi s ASP 53 Ca 0.07 0.26 0.04 0.00 -0.00 0.00 0.00 52.55 52.92 2cwi s ASP 53 Cb -0.05 -1.80 0.00 0.00 -0.00 0.00 0.00 42.92 41.07 2cwi s ASP 53 CO 0.02 0.35 -0.15 -0.31 -0.00 0.00 0.00 175.17 175.08 2cwi s TYR 54 N -0.72 1.61 0.00 4.23 1.51 -0.55 -1.85 117.35 121.58 2cwi s TYR 54 Ca 0.12 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 2cwi s TYR 54 Cb -0.12 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 2cwi s TYR 54 CO 0.03 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.68 2cwi n GLY 55 N 3.33 -1.82 0.18 0.71 0.00 -0.05 -1.77 105.19 105.77 2cwi n GLY 55 Ca -0.19 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.08 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 1.23 -0.65 -0.61 2.10 -1.70 -1.11 117.51 116.78 2cwi h ILE 56 Ca 0.00 -1.35 0.00 0.00 1.08 0.00 0.00 64.86 64.59 2cwi h ILE 56 Cb 0.00 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 2cwi h ILE 56 CO 0.00 0.38 0.00 0.49 -1.08 0.00 0.00 178.15 177.94 2cwi n PHE 57 N -4.02 0.92 -3.88 2.19 3.72 -1.26 -4.12 117.46 111.01 2cwi n PHE 57 Ca -0.02 -0.51 -0.29 0.00 -0.05 0.00 0.00 57.45 56.58 2cwi n PHE 57 Cb 0.43 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.37 -2.29 -2.76 -1.08 1.13 -0.42 -4.89 117.38 108.44 2cwi n GLN 58 Ca 0.22 0.39 -0.42 0.00 -1.94 0.00 0.00 57.00 55.25 2cwi n GLN 58 Cb 0.61 -4.20 -0.03 0.00 0.11 0.00 0.00 30.24 26.73 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 -6.85 4.25 0.23 1.08 1.43 -0.73 -4.43 118.68 113.66 2cwi s LEU 59 Ca 0.20 1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 54.55 2cwi s LEU 59 Cb -0.08 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 2cwi s LEU 59 CO 0.89 -0.39 0.74 0.21 0.23 0.00 0.00 176.35 178.04 2cwi s ASN 60 N 1.07 7.09 0.00 2.29 3.84 -1.26 -1.49 114.94 126.49 2cwi s ASN 60 Ca 0.46 1.46 0.22 0.00 0.21 0.00 0.00 52.86 55.21 2cwi s ASN 60 Cb -0.18 -2.44 1.31 0.00 -0.55 0.00 0.00 41.25 39.40 2cwi s ASN 60 CO 0.18 0.03 1.73 -1.54 -2.79 0.00 0.00 177.10 174.71 2cwi n SER 61 N 0.75 0.00 -0.01 -4.21 3.41 -0.13 -1.91 113.62 111.52 2cwi n SER 61 Ca -0.02 -0.89 -0.21 0.00 -0.26 0.00 0.00 58.87 57.49 2cwi n SER 61 Cb 0.51 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.94 0.75 -0.10 4.33 3.00 -1.26 -4.25 118.16 119.69 2cwi n LYS 62 Ca 0.17 0.25 -0.14 0.00 -0.00 0.00 0.00 58.31 58.58 2cwi n LYS 62 Cb 0.08 -1.69 -0.08 0.00 0.00 0.00 0.00 35.03 33.33 2cwi n LYS 62 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 2cwi n TRP 63 N -3.46 0.00 -0.10 5.64 7.02 -1.24 -1.68 117.44 123.62 2cwi n TRP 63 Ca -0.34 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.03 2cwi n TRP 63 Cb 1.04 -0.73 -0.13 0.00 -2.42 0.00 0.00 31.31 29.07 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 -3.19 0.00 -4.15 -5.99 7.02 -0.80 -1.40 117.44 108.93 2cwi n TRP 64 Ca -0.34 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.04 2cwi n TRP 64 Cb 0.84 -0.92 -0.10 0.00 -2.42 0.00 0.00 31.31 28.72 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 -3.93 4.32 0.35 0.00 2.20 0.10 -4.44 119.74 118.34 2cwi s LYS 66 Ca 0.16 1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 56.61 2cwi s LYS 66 Cb 0.07 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 2cwi s LYS 66 CO -0.03 -0.27 0.78 0.45 -0.36 0.00 0.00 175.35 175.92 2cwi s SER 67 N 1.12 6.79 0.00 1.43 0.15 -1.26 -1.23 113.70 120.69 2cwi s SER 67 Ca 0.38 1.36 0.14 0.00 0.70 0.00 0.00 55.95 58.53 2cwi s SER 67 Cb -0.17 -2.40 0.64 0.00 -1.71 0.00 0.00 66.02 62.37 2cwi s SER 67 CO 0.13 -0.25 1.39 -3.20 1.20 0.00 0.00 173.24 172.51 2cwi n ASN 68 N -0.49 0.00 0.00 5.45 2.85 -1.26 -4.45 115.26 117.36 2cwi n ASN 68 Ca 0.04 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 2cwi n ASN 68 Cb 0.53 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.17 2cwi n ASN 68 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2cwi n SER 69 N -1.38 0.00 -3.74 1.20 3.41 -1.26 -5.08 113.62 106.78 2cwi n SER 69 Ca 0.05 -0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 58.03 2cwi n SER 69 Cb 0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2cwi n SER 69 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2cwi s HIS 70 N 0.00 -0.04 0.83 7.33 -3.43 -1.26 -5.16 115.29 113.55 2cwi s HIS 70 Ca 0.00 -0.31 -0.11 0.00 -0.80 0.00 0.00 55.06 53.84 2cwi s HIS 70 Cb 0.00 0.11 0.09 0.00 -1.43 0.00 0.00 32.58 31.35 2cwi s HIS 70 CO 0.00 -0.62 1.10 -1.54 -2.00 0.00 0.00 174.74 171.68 2cwi s SER 71 N -2.78 3.95 -0.18 7.38 1.04 -1.26 -4.30 113.70 117.55 2cwi s SER 71 Ca 0.03 1.83 -0.28 0.00 0.48 0.00 0.00 55.95 58.02 2cwi s SER 71 Cb 0.03 -2.47 0.08 0.00 0.10 0.00 0.00 66.02 63.76 2cwi s SER 71 CO -0.11 -2.39 0.76 -0.55 0.98 0.00 0.00 173.24 171.93 2cwi s SER 72 N -3.24 -0.66 0.39 7.02 0.15 -1.26 -4.78 113.70 111.32 2cwi s SER 72 Ca 0.63 1.04 0.12 0.00 0.70 0.00 0.00 55.95 58.44 2cwi s SER 72 Cb -0.18 0.97 0.78 0.00 -1.71 0.00 0.00 66.02 65.88 2cwi s SER 72 CO 0.57 -0.38 1.87 0.00 1.20 0.00 0.00 173.24 176.49 2cwi h ALA 73 N 3.99 1.46 -6.01 5.45 0.00 -1.47 -3.47 119.26 119.20 2cwi h ALA 73 Ca -0.27 -0.29 -0.40 0.00 0.00 0.00 0.00 54.91 53.95 2cwi h ALA 73 Cb 1.15 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 18.97 2cwi h ALA 73 CO 0.20 0.40 -0.85 -1.71 0.00 0.00 0.00 179.25 177.30 2cwi n ASN 74 N -4.17 -2.57 0.20 0.00 5.15 -0.56 -4.84 115.26 108.47 2cwi n ASN 74 Ca -0.02 -0.83 0.04 0.00 -0.60 0.00 0.00 54.58 53.17 2cwi n ASN 74 Cb 0.36 -4.13 0.41 0.00 -0.53 0.00 0.00 39.78 35.88 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 0.74 1.35 -0.01 5.20 0.00 -1.00 -1.50 119.26 124.04 2cwi h ALA 75 Ca -0.62 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2cwi h ALA 75 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2cwi h ALA 75 CO 0.53 0.41 -0.04 0.00 0.00 0.00 0.00 179.25 180.15 2cwi n ASN 77 N -0.11 -5.96 -3.64 0.00 5.03 -0.57 -4.95 115.26 105.06 2cwi n ASN 77 Ca 0.18 -0.81 -0.09 0.00 0.87 0.00 0.00 54.58 54.74 2cwi n ASN 77 Cb 0.33 -4.60 -0.07 0.00 -1.02 0.00 0.00 39.78 34.42 2cwi n ASN 77 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2cwi s ILE 78 N -3.42 0.00 0.26 2.41 2.07 -1.26 -5.05 121.20 116.21 2cwi s ILE 78 Ca 0.44 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.39 2cwi s ILE 78 Cb -0.09 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.40 2cwi s ILE 78 CO 0.78 0.00 1.26 -0.04 -1.91 0.00 0.00 174.94 175.03 2cwi s MET 79 N 0.29 4.43 0.35 3.50 -1.94 -1.26 0.01 119.30 124.68 2cwi s MET 79 Ca 0.03 2.05 0.04 0.00 -1.71 0.00 0.00 55.69 56.09 2cwi s MET 79 Cb -0.05 -3.15 0.67 0.00 2.01 0.00 0.00 34.83 34.31 2cwi s MET 79 CO -0.07 -0.13 1.98 0.00 -0.01 0.00 0.00 175.02 176.80 2cwi h SER 81 N 0.83 0.00 1.36 0.00 4.64 -1.92 -0.31 113.55 118.15 2cwi h SER 81 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2cwi h SER 81 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2cwi h SER 81 CO -0.08 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 175.99 2cwi h LYS 82 N 0.00 0.00 0.00 4.77 1.79 -1.73 -2.63 116.57 118.77 2cwi h LYS 82 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2cwi h LYS 82 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2cwi h LYS 82 CO -0.00 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.56 2cwi n PHE 83 N -3.02 0.00 -0.03 -1.35 3.72 -0.12 -3.12 117.46 113.54 2cwi n PHE 83 Ca 0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 2cwi n PHE 83 Cb 0.38 -0.50 0.27 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.50 3.71 -4.86 4.37 4.77 -0.99 -4.13 117.00 118.37 2cwi n LEU 84 Ca 0.06 -1.74 -0.30 0.00 -0.03 0.00 0.00 56.01 54.00 2cwi n LEU 84 Cb 0.28 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2cwi n LEU 84 CO 0.22 0.87 0.74 -1.81 -1.33 0.00 0.00 177.39 176.08 2cwi s ASP 85 N -1.24 5.08 0.22 -1.43 1.01 -1.18 -4.52 116.67 114.61 2cwi s ASP 85 Ca 0.44 1.16 -0.04 0.00 0.71 0.00 0.00 52.55 54.82 2cwi s ASP 85 Cb 0.24 -1.91 0.20 0.00 1.01 0.00 0.00 42.92 42.46 2cwi s ASP 85 CO 0.33 -1.58 1.64 0.44 0.21 0.00 0.00 175.17 176.20 2cwi h ASP 86 N -0.82 0.76 -3.22 0.27 5.19 -1.91 -3.44 116.42 113.25 2cwi h ASP 86 Ca -0.46 -0.27 -0.57 0.00 -0.62 0.00 0.00 57.03 55.11 2cwi h ASP 86 Cb 1.26 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 40.51 2cwi h ASP 86 CO 0.63 0.97 0.92 0.21 -3.12 0.00 0.00 179.24 178.84 2cwi s ASN 87 N -6.76 6.78 -0.15 6.45 3.84 -1.26 -4.89 114.94 118.95 2cwi s ASN 87 Ca -0.09 1.13 0.15 0.00 0.21 0.00 0.00 52.86 54.26 2cwi s ASN 87 Cb 0.13 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.98 2cwi s ASN 87 CO 0.83 -1.00 1.58 2.30 -2.79 0.00 0.00 177.10 178.02 2cwi n ILE 88 N 6.07 1.99 -0.30 -5.21 -5.35 -1.26 -4.35 119.36 110.95 2cwi n ILE 88 Ca 0.13 -1.14 -0.00 0.00 -0.27 0.00 0.00 62.75 61.47 2cwi n ILE 88 Cb 0.47 -0.08 0.13 0.00 -1.74 0.00 0.00 39.64 38.42 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 3.67 0.83 -0.15 7.28 3.32 -1.98 0.31 116.42 129.70 2cwi h ASP 89 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2cwi h ASP 89 Cb 1.54 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 2cwi h ASP 89 CO 0.31 0.54 0.02 0.44 -1.72 0.00 0.00 179.24 178.83 2cwi h ASP 90 N 0.97 0.24 -0.59 6.45 3.32 -1.93 -1.52 116.42 123.36 2cwi h ASP 90 Ca 0.35 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.20 2cwi h ASP 90 Cb 0.12 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 2cwi h ASP 90 CO -0.15 0.44 0.27 0.44 -1.72 0.00 0.00 179.24 178.52 2cwi h ASP 91 N 0.02 0.35 -0.56 6.45 5.19 -1.76 -2.02 116.42 124.09 2cwi h ASP 91 Ca 0.04 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2cwi h ASP 91 Cb 0.31 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2cwi h ASP 91 CO 0.00 0.23 0.23 0.40 -3.12 0.00 0.00 179.24 176.98 2cwi h ILE 92 N 0.51 1.22 -0.87 0.35 2.04 -0.64 -0.96 117.51 119.15 2cwi h ILE 92 Ca 0.28 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2cwi h ILE 92 Cb 0.25 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2cwi h ILE 92 CO -0.22 0.26 0.47 0.00 0.00 0.00 0.00 178.15 178.65 2cwi h ALA 93 N 1.08 1.18 -0.23 1.87 0.00 -0.98 -0.35 119.26 121.82 2cwi h ALA 93 Ca 0.19 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2cwi h ALA 93 Cb 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2cwi h ALA 93 CO -0.02 0.66 -0.61 0.00 0.00 0.00 0.00 179.25 179.28 2cwi h ALA 95 N 0.73 1.14 -0.90 0.00 0.00 -0.86 0.96 119.26 120.33 2cwi h ALA 95 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2cwi h ALA 95 Cb 1.21 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2cwi h ALA 95 CO 0.13 0.55 0.57 0.87 0.00 0.00 0.00 179.25 181.37 2cwi h LYS 96 N 0.70 1.04 -0.08 0.00 1.57 -0.86 -2.19 116.57 116.74 2cwi h LYS 96 Ca 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2cwi h LYS 96 Cb 0.45 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2cwi h LYS 96 CO 0.02 0.69 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.47 2cwi h ARG 97 N 1.07 0.15 -0.84 3.15 9.65 -0.90 -3.28 114.38 123.38 2cwi h ARG 97 Ca 0.38 -0.06 0.12 0.00 -1.10 0.00 0.00 59.98 59.32 2cwi h ARG 97 Cb 0.12 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.60 2cwi h ARG 97 CO -0.16 0.48 0.46 0.28 2.80 0.00 0.00 179.97 183.83 2cwi h VAL 98 N -0.19 0.82 0.00 0.20 2.07 -0.51 -1.71 116.25 116.93 2cwi h VAL 98 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2cwi h VAL 98 Cb 0.42 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2cwi h VAL 98 CO 0.01 0.13 0.00 1.62 0.02 0.00 0.00 177.57 179.35 2cwi h VAL 99 N 0.71 0.00 0.00 2.57 3.04 -1.47 -2.00 116.25 119.10 2cwi h VAL 99 Ca 0.43 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2cwi h VAL 99 Cb 0.51 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2cwi h VAL 99 CO -0.31 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.54 2cwi n LYS 100 N -2.78 0.15 -1.57 4.17 5.02 -0.64 -3.88 118.16 118.62 2cwi n LYS 100 Ca 0.02 0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 2cwi n LYS 100 Cb 0.31 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 2cwi n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cwi s ASP 101 N -2.85 4.33 0.38 4.39 1.11 -0.75 -4.90 116.67 118.38 2cwi s ASP 101 Ca 0.18 2.55 0.22 0.00 0.18 0.00 0.00 52.55 55.68 2cwi s ASP 101 Cb 0.19 -2.61 1.34 0.00 1.07 0.00 0.00 42.92 42.91 2cwi s ASP 101 CO 0.48 -2.18 1.59 -0.65 1.18 0.00 0.00 175.17 175.59 2cwi h PRO 102 N 0.15 0.03 -0.00 8.23 0.11 -1.88 0.23 132.00 138.85 2cwi h PRO 102 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cwi h PRO 102 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2cwi h PRO 102 CO 0.51 0.02 -0.25 0.09 -0.21 0.00 0.00 178.00 178.16 2cwi n ASN 103 N -5.19 0.47 0.00 -2.05 3.02 -1.26 -4.98 115.26 105.28 2cwi n ASN 103 Ca 0.38 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2cwi n ASN 103 Cb 1.29 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 2cwi n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cwi n GLY 104 N 1.41 1.64 0.00 7.41 0.00 0.79 -1.70 105.19 114.74 2cwi n GLY 104 Ca 0.09 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 6.84 0.03 0.04 1.61 2.81 -1.26 -2.01 117.12 125.19 2cwi n MET 105 Ca 0.00 0.31 0.06 0.00 -1.81 0.00 0.00 57.70 56.25 2cwi n MET 105 Cb 0.00 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.45 0.17 0.06 7.83 7.64 -0.69 -1.44 113.62 125.74 2cwi n SER 106 Ca 0.03 0.56 0.21 0.00 1.01 0.00 0.00 58.87 60.67 2cwi n SER 106 Cb 0.10 -0.59 0.74 0.00 -1.01 0.00 0.00 64.21 63.45 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 2.23 2.24 -2.24 -0.43 0.00 -1.54 -3.35 119.26 116.18 2cwi h ALA 107 Ca 0.00 -0.02 -0.75 0.00 0.00 0.00 0.00 54.91 54.15 2cwi h ALA 107 Cb 0.15 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.74 2cwi h ALA 107 CO 0.00 -0.64 -0.29 -1.58 0.00 0.00 0.00 179.25 176.74 2cwi s TRP 108 N -4.76 3.26 0.32 0.00 0.51 -0.52 -4.94 118.94 112.81 2cwi s TRP 108 Ca -0.05 -1.16 0.00 0.00 -2.12 0.00 0.00 56.10 52.78 2cwi s TRP 108 Cb 0.17 -3.47 0.55 0.00 -0.81 0.00 0.00 33.47 29.91 2cwi s TRP 108 CO 0.62 -0.91 1.98 0.28 -0.51 0.00 0.00 176.95 178.41 2cwi h VAL 109 N 5.85 1.17 0.00 4.03 2.07 -1.84 -0.65 116.25 126.87 2cwi h VAL 109 Ca -0.29 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 2cwi h VAL 109 Cb 1.10 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2cwi h VAL 109 CO 0.95 0.18 -0.24 0.00 0.02 0.00 0.00 177.57 178.48 2cwi h ALA 110 N 1.54 1.59 -0.31 1.67 0.00 -1.92 0.22 119.26 122.06 2cwi h ALA 110 Ca 0.28 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2cwi h ALA 110 Cb -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2cwi h ALA 110 CO -0.07 0.30 -0.49 2.35 0.00 0.00 0.00 179.25 181.34 2cwi h TRP 111 N 0.00 1.09 -0.73 0.00 7.01 -1.44 -1.33 115.95 120.54 2cwi h TRP 111 Ca -0.00 -0.37 -0.05 0.00 2.11 0.00 0.00 58.89 60.58 2cwi h TRP 111 Cb 0.42 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 2cwi h TRP 111 CO 0.00 1.20 0.26 0.28 -2.79 0.00 0.00 178.44 177.38 2cwi h VAL 112 N 0.67 1.25 -0.04 2.65 2.07 -0.52 0.13 116.25 122.47 2cwi h VAL 112 Ca 0.03 -0.84 -0.21 0.00 0.82 0.00 0.00 66.70 66.49 2cwi h VAL 112 Cb 1.09 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2cwi h VAL 112 CO 0.11 0.34 -0.85 0.11 0.02 0.00 0.00 177.57 177.30 2cwi h LYS 113 N 1.08 0.42 0.00 1.57 1.57 -0.90 -3.37 116.57 116.94 2cwi h LYS 113 Ca 0.24 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2cwi h LYS 113 Cb 0.26 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2cwi h LYS 113 CO -0.01 1.06 0.00 0.72 -0.57 0.00 0.00 179.45 180.64 2cwi n HIS 114 N -3.79 0.00 0.00 -1.35 8.25 -0.51 -4.89 115.22 112.93 2cwi n HIS 114 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2cwi n HIS 114 Cb 0.78 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.89 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 0.20 -0.48 0.00 3.64 -0.98 -2.25 116.57 116.69 2cwi h LYS 116 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2cwi h LYS 116 Cb 0.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2cwi h LYS 116 CO 0.00 0.13 0.00 0.41 -2.27 0.00 0.00 179.45 177.72 2cwi n GLY 117 N -1.34 1.73 3.83 5.01 0.00 -1.26 -4.94 105.19 108.22 2cwi n GLY 117 Ca 0.10 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.36 4.12 -0.42 1.61 1.02 -0.85 -5.05 119.74 118.80 2cwi s LYS 118 Ca 0.40 0.81 -0.27 0.00 0.02 0.00 0.00 55.97 56.93 2cwi s LYS 118 Cb 0.22 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2cwi s LYS 118 CO 0.30 0.19 1.01 0.34 -0.92 0.00 0.00 175.35 176.27 2cwi s ASP 119 N -2.09 6.64 -0.12 2.83 -1.08 -1.26 -4.89 116.67 116.71 2cwi s ASP 119 Ca 0.53 0.47 0.16 0.00 -0.52 0.00 0.00 52.55 53.19 2cwi s ASP 119 Cb -0.12 -2.50 0.63 0.00 -1.46 0.00 0.00 42.92 39.47 2cwi s ASP 119 CO 0.18 -1.04 1.54 0.18 0.52 0.00 0.00 175.17 176.54 2cwi n LEU 120 N 7.25 4.38 -0.15 -1.34 4.77 -1.26 -4.60 117.00 126.05 2cwi n LEU 120 Ca 0.09 -2.54 0.17 0.00 -0.03 0.00 0.00 56.01 53.71 2cwi n LEU 120 Cb 0.48 -0.53 0.55 0.00 -2.33 0.00 0.00 43.42 41.60 2cwi n LEU 120 CO 0.64 0.76 1.21 0.77 -1.33 0.00 0.00 177.39 179.44 2cwi h SER 121 N 3.28 0.31 -0.23 -1.43 4.64 -2.02 -2.19 113.55 115.91 2cwi h SER 121 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2cwi h SER 121 Cb 1.38 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2cwi h SER 121 CO 0.22 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 2cwi n LYS 122 N -4.45 1.97 -0.19 4.77 4.76 -1.26 -4.65 118.16 119.11 2cwi n LYS 122 Ca 0.14 -1.73 0.04 0.00 -2.87 0.00 0.00 58.31 53.89 2cwi n LYS 122 Cb 0.59 -1.26 0.31 0.00 -1.84 0.00 0.00 35.03 32.83 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 2.24 0.82 -0.33 2.13 3.20 -1.70 -1.85 116.97 121.47 2cwi h TYR 123 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cwi h TYR 123 Cb 0.65 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2cwi h TYR 123 CO 0.15 0.47 0.00 1.28 -1.64 0.00 0.00 178.16 178.42 2cwi n LEU 124 N -4.46 3.51 -0.04 2.82 4.77 -1.26 -4.65 117.00 117.70 2cwi n LEU 124 Ca 0.09 -2.49 0.04 0.00 -0.03 0.00 0.00 56.01 53.62 2cwi n LEU 124 Cb 0.14 -0.40 0.40 0.00 -2.33 0.00 0.00 43.42 41.23 2cwi n LEU 124 CO 0.35 0.71 1.18 0.00 -1.33 0.00 0.00 177.39 178.29 2cwi h ALA 125 N 2.10 1.68 0.00 -1.18 0.00 -1.62 -0.74 119.26 119.50 2cwi h ALA 125 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cwi h ALA 125 Cb 1.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2cwi h ALA 125 CO 0.12 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 2cwi n SER 126 N -4.47 0.00 -4.80 0.00 3.41 -1.26 -4.83 113.62 101.67 2cwi n SER 126 Ca 0.04 0.36 -0.39 0.00 -0.26 0.00 0.00 58.87 58.62 2cwi n SER 126 Cb 0.07 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2cwi n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cwi s ASN 128 N -0.99 6.28 0.00 0.00 0.01 -1.26 -5.09 114.94 113.89 2cwi s ASN 128 Ca 0.31 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 2cwi s ASN 128 Cb -0.20 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2cwi s ASN 128 CO 0.20 -0.62 0.35 0.18 -1.51 0.00 0.00 177.10 175.70