#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbl h ARG 4 N 0.00 0.75 -0.35 -3.83 3.08 -2.05 -1.51 114.38 110.46 2xbl h ARG 4 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2xbl h ARG 4 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2xbl h ARG 4 CO 0.00 0.49 0.04 0.93 -1.07 0.00 0.00 179.97 180.37 2xbl h GLU 5 N 0.77 0.59 -0.67 0.04 5.08 -2.06 -0.85 114.58 117.48 2xbl h GLU 5 Ca 0.29 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2xbl h GLU 5 Cb 0.17 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2xbl h GLU 5 CO -0.09 0.67 0.12 1.25 -1.00 0.00 0.00 179.01 179.96 2xbl h LEU 6 N 0.42 1.06 -1.01 1.33 6.46 -1.87 -1.73 115.31 119.97 2xbl h LEU 6 Ca 0.10 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2xbl h LEU 6 Cb 0.38 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 2xbl h LEU 6 CO 0.01 1.04 0.67 0.74 -0.62 0.00 0.00 178.44 180.28 2xbl h THR 7 N 1.04 1.22 -0.51 1.05 2.02 -1.17 -1.36 112.91 115.19 2xbl h THR 7 Ca 0.21 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2xbl h THR 7 Cb 0.43 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 2xbl h THR 7 CO 0.01 0.24 0.23 0.22 0.37 0.00 0.00 175.52 176.59 2xbl h TYR 8 N 1.32 0.75 0.18 3.16 3.20 -0.55 -0.27 116.97 124.77 2xbl h TYR 8 Ca 0.39 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 2xbl h TYR 8 Cb -0.08 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2xbl h TYR 8 CO -0.00 0.60 -0.09 0.82 -1.64 0.00 0.00 178.16 177.85 2xbl h ILE 9 N 0.68 0.88 -0.58 1.81 2.04 -0.96 -1.62 117.51 119.75 2xbl h ILE 9 Ca 0.17 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2xbl h ILE 9 Cb 0.14 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2xbl h ILE 9 CO -0.02 0.07 0.23 0.71 0.00 0.00 0.00 178.15 179.13 2xbl h THR 10 N -0.39 1.23 -0.70 -0.27 1.35 -1.22 -2.37 112.91 110.54 2xbl h THR 10 Ca -0.03 -0.72 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 2xbl h THR 10 Cb 0.30 0.61 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 2xbl h THR 10 CO 0.04 0.28 0.29 -1.13 -0.25 0.00 0.00 175.52 174.75 2xbl h ASN 11 N 0.81 0.94 -0.48 5.36 -1.24 -1.00 -0.82 115.58 119.15 2xbl h ASN 11 Ca 0.19 -0.13 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 2xbl h ASN 11 Cb 0.22 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 2xbl h ASN 11 CO -0.01 0.83 0.00 0.28 -1.29 0.00 0.00 177.43 177.24 2xbl h SER 12 N 1.00 0.83 -0.40 1.15 0.02 -0.92 0.11 113.55 115.34 2xbl h SER 12 Ca 0.24 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 2xbl h SER 12 Cb 0.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2xbl h SER 12 CO -0.02 0.93 -0.12 0.40 -1.14 0.00 0.00 176.83 176.89 2xbl h ILE 13 N 0.71 1.28 -0.84 3.27 2.04 -1.23 -2.24 117.51 120.49 2xbl h ILE 13 Ca 0.14 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2xbl h ILE 13 Cb 0.51 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2xbl h ILE 13 CO 0.02 0.41 0.45 0.00 0.00 0.00 0.00 178.15 179.04 2xbl h ALA 14 N 0.84 1.08 -0.88 1.87 0.00 -0.85 -0.40 119.26 120.91 2xbl h ALA 14 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2xbl h ALA 14 Cb 0.65 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2xbl h ALA 14 CO 0.04 0.60 0.49 0.93 0.00 0.00 0.00 179.25 181.31 2xbl h GLU 15 N 1.18 1.23 -0.58 0.00 5.08 -0.70 -1.15 114.58 119.64 2xbl h GLU 15 Ca 0.30 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2xbl h GLU 15 Cb 0.04 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 2xbl h GLU 15 CO -0.05 0.89 0.22 0.00 -1.00 0.00 0.00 179.01 179.07 2xbl h ALA 16 N 1.27 0.76 -0.91 3.43 0.00 -0.82 -1.69 119.26 121.30 2xbl h ALA 16 Ca 0.31 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2xbl h ALA 16 Cb 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 2xbl h ALA 16 CO -0.05 0.39 0.58 0.37 0.00 0.00 0.00 179.25 180.54 2xbl h GLN 17 N 0.81 1.05 -0.09 0.00 4.15 -0.55 -1.87 115.11 118.60 2xbl h GLN 17 Ca 0.19 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 2xbl h GLN 17 Cb 0.23 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2xbl h GLN 17 CO -0.01 0.69 -0.57 0.00 -1.93 0.00 0.00 178.83 177.01 2xbl h ARG 18 N 1.08 0.29 -0.41 1.69 2.47 -0.86 -1.48 114.38 117.15 2xbl h ARG 18 Ca 0.38 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 2xbl h ARG 18 Cb 0.11 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2xbl h ARG 18 CO -0.15 0.78 0.20 0.28 0.56 0.00 0.00 179.97 181.64 2xbl h VAL 19 N 0.22 1.17 -0.36 2.04 2.07 -0.92 0.24 116.25 120.71 2xbl h VAL 19 Ca -0.00 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2xbl h VAL 19 Cb 1.07 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2xbl h VAL 19 CO 0.09 0.19 0.18 0.24 0.02 0.00 0.00 177.57 178.29 2xbl h MET 20 N 0.53 0.36 -0.82 1.57 2.86 -1.08 -0.04 114.93 118.32 2xbl h MET 20 Ca 0.14 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2xbl h MET 20 Cb 0.12 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 2xbl h MET 20 CO -0.02 0.24 0.52 0.00 1.06 0.00 0.00 176.91 178.71 2xbl h ALA 21 N 1.18 1.04 -0.47 6.32 0.00 -1.07 -1.00 119.26 125.27 2xbl h ALA 21 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2xbl h ALA 21 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2xbl h ALA 21 CO -0.10 0.48 -0.15 0.00 0.00 0.00 0.00 179.25 179.48 2xbl h ALA 22 N 1.28 0.86 -0.64 0.00 0.00 -0.45 -2.26 119.26 118.05 2xbl h ALA 22 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2xbl h ALA 22 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2xbl h ALA 22 CO -0.06 0.64 0.27 0.52 0.00 0.00 0.00 179.25 180.62 2xbl h MET 23 N 0.78 0.95 -0.57 0.00 2.86 -0.66 -2.35 114.93 115.95 2xbl h MET 23 Ca 0.12 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2xbl h MET 23 Cb 0.68 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2xbl h MET 23 CO 0.05 0.79 0.38 1.25 1.06 0.00 0.00 176.91 180.44 2xbl h LEU 24 N 0.89 0.57 -0.56 1.22 5.85 -0.88 -2.00 115.31 120.41 2xbl h LEU 24 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2xbl h LEU 24 Cb 0.19 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2xbl h LEU 24 CO -0.02 0.40 -0.15 0.00 -0.34 0.00 0.00 178.44 178.32 2xbl n ALA 25 N -2.46 2.87 -3.06 1.25 0.00 -0.88 -4.77 120.51 113.46 2xbl n ALA 25 Ca 0.07 -0.39 -0.45 0.00 0.00 0.00 0.00 53.44 52.67 2xbl n ALA 25 Cb 0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 2xbl n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xbl s ASP 26 N -2.35 6.56 0.23 0.00 -1.08 -0.75 -4.92 116.67 114.36 2xbl s ASP 26 Ca 0.29 -2.04 -0.08 0.00 -0.52 0.00 0.00 52.55 50.21 2xbl s ASP 26 Cb 0.20 -2.34 0.21 0.00 -1.46 0.00 0.00 42.92 39.54 2xbl s ASP 26 CO 0.46 -0.97 1.89 -0.33 0.52 0.00 0.00 175.17 176.73 2xbl h GLU 27 N 8.67 1.21 -0.56 4.34 5.08 -1.86 -1.88 114.58 129.59 2xbl h GLU 27 Ca 0.04 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2xbl h GLU 27 Cb 1.04 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2xbl h GLU 27 CO 1.02 0.84 0.19 -0.09 -1.00 0.00 0.00 179.01 179.97 2xbl h ARG 28 N 1.23 0.86 -0.30 2.33 2.43 -1.97 -1.78 114.38 117.19 2xbl h ARG 28 Ca 0.32 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2xbl h ARG 28 Cb -0.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2xbl h ARG 28 CO -0.06 0.77 0.16 1.25 -1.51 0.00 0.00 179.97 180.58 2xbl h LEU 29 N 0.77 0.26 -0.92 3.80 5.85 -1.78 -0.50 115.31 122.80 2xbl h LEU 29 Ca 0.18 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2xbl h LEU 29 Cb 0.26 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2xbl h LEU 29 CO -0.01 0.19 0.01 -0.07 -0.34 0.00 0.00 178.44 178.22 2xbl h LEU 30 N 0.34 0.77 -0.80 2.25 3.38 -1.18 0.08 115.31 120.15 2xbl h LEU 30 Ca 0.12 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2xbl h LEU 30 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2xbl h LEU 30 CO -0.06 0.83 -0.13 0.00 0.09 0.00 0.00 178.44 179.17 2xbl h ALA 31 N 1.26 0.98 -0.19 1.53 0.00 -1.14 -2.79 119.26 118.90 2xbl h ALA 31 Ca 0.15 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2xbl h ALA 31 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2xbl h ALA 31 CO 0.02 0.60 -0.56 1.15 0.00 0.00 0.00 179.25 180.47 2xbl h THR 32 N 0.69 1.32 -0.54 0.00 2.02 -0.43 -2.36 112.91 113.62 2xbl h THR 32 Ca 0.11 -1.80 0.05 0.00 0.77 0.00 0.00 66.41 65.55 2xbl h THR 32 Cb 0.61 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.74 2xbl h THR 32 CO 0.04 0.56 0.26 0.58 0.37 0.00 0.00 175.52 177.33 2xbl h VAL 33 N 0.45 0.93 -0.63 3.16 2.07 -0.90 0.43 116.25 121.75 2xbl h VAL 33 Ca 0.01 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2xbl h VAL 33 Cb 1.11 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2xbl h VAL 33 CO 0.11 0.09 0.38 -0.09 0.02 0.00 0.00 177.57 178.08 2xbl h ARG 34 N 0.50 0.72 -0.37 1.57 9.65 -1.36 -1.81 114.38 123.27 2xbl h ARG 34 Ca 0.24 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 59.00 2xbl h ARG 34 Cb 0.18 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 2xbl h ARG 34 CO -0.18 0.47 -0.12 0.87 2.80 0.00 0.00 179.97 183.81 2xbl h LYS 35 N 0.74 0.66 -0.12 0.20 1.57 -0.79 -0.30 116.57 118.53 2xbl h LYS 35 Ca 0.26 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2xbl h LYS 35 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2xbl h LYS 35 CO -0.12 0.76 0.05 0.28 -0.57 0.00 0.00 179.45 179.85 2xbl h VAL 36 N 0.60 1.13 -0.61 0.50 2.07 -0.57 -0.28 116.25 119.08 2xbl h VAL 36 Ca 0.11 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2xbl h VAL 36 Cb 0.55 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2xbl h VAL 36 CO 0.03 0.11 0.39 0.00 0.02 0.00 0.00 177.57 178.12 2xbl h ALA 37 N 0.92 0.79 -0.60 1.67 0.00 -1.10 -2.13 119.26 118.80 2xbl h ALA 37 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2xbl h ALA 37 Cb 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2xbl h ALA 37 CO -0.00 0.15 0.31 -0.44 0.00 0.00 0.00 179.25 179.27 2xbl h ASP 38 N 0.77 0.45 -0.83 0.00 3.32 -0.84 0.48 116.42 119.77 2xbl h ASP 38 Ca 0.24 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 2xbl h ASP 38 Cb -0.02 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2xbl h ASP 38 CO -0.08 0.30 0.51 0.00 -1.72 0.00 0.00 179.24 178.25 2xbl h ALA 39 N 1.33 1.05 -0.40 3.45 0.00 -0.67 0.13 119.26 124.15 2xbl h ALA 39 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2xbl h ALA 39 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2xbl h ALA 39 CO -0.18 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.57 2xbl h ILE 41 N 0.54 0.84 -0.81 0.00 2.04 -0.63 -1.00 117.51 118.50 2xbl h ILE 41 Ca 0.11 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2xbl h ILE 41 Cb 0.48 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2xbl h ILE 41 CO 0.02 0.02 0.53 0.00 0.00 0.00 0.00 178.15 178.72 2xbl h ALA 42 N 0.54 1.04 -0.20 1.87 0.00 -0.99 0.47 119.26 122.00 2xbl h ALA 42 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2xbl h ALA 42 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2xbl h ALA 42 CO 0.04 0.41 0.09 1.03 0.00 0.00 0.00 179.25 180.82 2xbl h SER 43 N 1.07 0.26 -0.64 0.00 0.87 -1.22 -2.72 113.55 111.18 2xbl h SER 43 Ca 0.31 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2xbl h SER 43 Cb -0.08 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2xbl h SER 43 CO -0.08 0.31 0.16 0.40 -0.53 0.00 0.00 176.83 177.08 2xbl h ILE 44 N 0.19 1.25 0.00 2.23 2.04 -0.83 0.17 117.51 122.56 2xbl h ILE 44 Ca 0.07 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 2xbl h ILE 44 Cb 0.12 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2xbl h ILE 44 CO -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 178.15 178.41 2xbl h ALA 45 N 1.17 1.69 -0.58 1.87 0.00 -0.76 -2.00 119.26 120.64 2xbl h ALA 45 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2xbl h ALA 45 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2xbl h ALA 45 CO 0.00 0.11 0.07 0.94 0.00 0.00 0.00 179.25 180.38 2xbl n GLN 46 N -4.20 4.36 -0.38 0.00 7.27 -0.86 -4.91 117.38 118.66 2xbl n GLN 46 Ca -0.03 -3.12 0.00 0.00 0.07 0.00 0.00 57.00 53.92 2xbl n GLN 46 Cb 0.17 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.61 2xbl n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2xbl n GLY 47 N 0.27 0.80 1.23 1.69 0.00 -0.75 -5.07 105.19 103.36 2xbl n GLY 47 Ca 0.31 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 2xbl n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xbl n GLY 48 N -2.38 0.30 3.29 -0.02 0.00 0.55 -4.98 105.19 101.95 2xbl n GLY 48 Ca 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 2xbl n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xbl s LYS 49 N -3.39 1.05 -0.19 1.61 -2.85 -1.26 -4.41 119.74 110.28 2xbl s LYS 49 Ca 0.22 -1.09 -0.05 0.00 -1.00 0.00 0.00 55.97 54.04 2xbl s LYS 49 Cb -0.01 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 2xbl s LYS 49 CO 0.15 -0.37 0.01 0.08 0.10 0.00 0.00 175.35 175.32 2xbl s VAL 50 N -3.93 4.09 -0.05 1.79 1.01 -0.63 -2.10 120.40 120.58 2xbl s VAL 50 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2xbl s VAL 50 Cb 0.04 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2xbl s VAL 50 CO -0.04 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.79 2xbl s LEU 51 N 0.84 3.82 0.01 3.92 1.43 0.79 -0.61 118.68 128.87 2xbl s LEU 51 Ca 0.01 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2xbl s LEU 51 Cb -0.14 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2xbl s LEU 51 CO 0.02 0.33 -0.15 -0.76 0.23 0.00 0.00 176.35 176.02 2xbl s LEU 52 N -1.33 2.08 -0.07 1.79 1.02 -0.72 0.05 118.68 121.51 2xbl s LEU 52 Ca 0.18 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 53.93 2xbl s LEU 52 Cb -0.12 -0.73 0.02 0.00 0.02 0.00 0.00 46.19 45.38 2xbl s LEU 52 CO 0.08 0.14 0.18 0.00 0.02 0.00 0.00 176.35 176.77 2xbl s ALA 53 N -0.52 -0.45 -0.03 4.21 0.00 0.10 -0.23 121.76 124.84 2xbl s ALA 53 Ca 0.05 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 2xbl s ALA 53 Cb -0.06 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 22.88 2xbl s ALA 53 CO 0.00 -0.09 1.04 0.20 0.00 0.00 0.00 175.76 176.90 2xbl s GLY 54 N 0.02 -0.37 0.01 0.00 0.00 -1.26 -0.56 107.32 105.16 2xbl s GLY 54 Ca -0.01 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2xbl s GLY 54 CO 0.00 0.31 0.06 -1.31 0.00 0.00 0.00 173.10 172.17 2xbl s ASN 55 N -2.53 5.55 1.76 1.64 0.01 -1.26 -3.07 114.94 117.04 2xbl s ASN 55 Ca 0.08 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 2xbl s ASN 55 Cb -0.00 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 40.10 2xbl s ASN 55 CO -0.05 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.41 2xbl n GLY 56 N 1.15 3.64 0.31 0.66 0.00 -1.26 -1.04 105.19 108.65 2xbl n GLY 56 Ca -0.13 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.93 2xbl n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xbl h GLY 57 N 0.00 0.32 2.00 -0.02 0.00 -2.00 -0.49 103.07 102.88 2xbl h GLY 57 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2xbl h GLY 57 CO 0.00 0.09 -0.17 1.76 0.00 0.00 0.00 176.54 178.22 2xbl h SER 58 N 0.27 0.00 -0.18 0.19 0.02 -1.40 -1.99 113.55 110.46 2xbl h SER 58 Ca 0.14 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2xbl h SER 58 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2xbl h SER 58 CO -0.03 0.17 -0.26 0.00 -1.14 0.00 0.00 176.83 175.58 2xbl h ALA 59 N 1.83 0.94 -0.29 3.77 0.00 -1.02 -1.65 119.26 122.84 2xbl h ALA 59 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2xbl h ALA 59 Cb 0.91 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2xbl h ALA 59 CO 0.02 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.05 2xbl h ALA 60 N 1.15 0.37 -0.52 0.00 0.00 -1.03 -2.88 119.26 116.35 2xbl h ALA 60 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2xbl h ALA 60 Cb 0.74 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2xbl h ALA 60 CO 0.06 -0.12 0.17 -0.44 0.00 0.00 0.00 179.25 178.91 2xbl h ASP 61 N 0.36 0.14 -0.18 0.00 3.32 -1.13 0.25 116.42 119.18 2xbl h ASP 61 Ca 0.10 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.27 2xbl h ASP 61 Cb 0.03 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 2xbl h ASP 61 CO -0.02 0.10 -0.19 0.00 -1.72 0.00 0.00 179.24 177.42 2xbl h ALA 62 N 1.36 -0.09 0.00 3.45 0.00 -1.10 -0.22 119.26 122.67 2xbl h ALA 62 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2xbl h ALA 62 Cb 0.30 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2xbl h ALA 62 CO -0.28 -0.63 -0.71 -0.56 0.00 0.00 0.00 179.25 177.08 2xbl h GLN 63 N -0.21 0.00 0.25 0.00 3.07 -1.31 -1.76 115.11 115.15 2xbl h GLN 63 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.86 2xbl h GLN 63 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 2xbl h GLN 63 CO -0.31 0.71 -0.22 1.25 0.09 0.00 0.00 178.83 180.35 2xbl h HIS 64 N 0.00 -0.57 -0.42 0.06 2.76 -0.34 0.48 115.15 117.13 2xbl h HIS 64 Ca -0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2xbl h HIS 64 Cb 1.30 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.46 2xbl h HIS 64 CO 0.00 -0.32 0.01 0.82 -1.30 0.00 0.00 177.93 177.13 2xbl h ILE 65 N -0.48 1.26 -0.83 6.26 1.08 -1.07 -2.23 117.51 121.50 2xbl h ILE 65 Ca -0.01 -1.01 0.11 0.00 -0.39 0.00 0.00 64.86 63.56 2xbl h ILE 65 Cb 0.44 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.19 2xbl h ILE 65 CO -0.03 0.35 0.46 0.00 -0.69 0.00 0.00 178.15 178.24 2xbl h ALA 66 N 0.90 1.21 -0.30 1.87 0.00 -1.18 -0.82 119.26 120.94 2xbl h ALA 66 Ca 0.12 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2xbl h ALA 66 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2xbl h ALA 66 CO 0.02 0.03 0.02 0.78 0.00 0.00 0.00 179.25 180.10 2xbl h GLY 67 N 0.73 0.49 2.00 0.00 0.00 -0.54 0.37 103.07 106.12 2xbl h GLY 67 Ca 0.42 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 2xbl h GLY 67 CO -0.29 0.25 -0.44 0.83 0.00 0.00 0.00 176.54 176.90 2xbl h GLU 68 N 0.44 0.00 -0.08 4.80 5.08 -0.67 -0.69 114.58 123.46 2xbl h GLU 68 Ca 0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2xbl h GLU 68 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2xbl h GLU 68 CO 0.01 0.44 -0.19 0.74 -1.00 0.00 0.00 179.01 179.00 2xbl h PHE 69 N 0.00 0.34 0.16 4.33 0.04 -0.63 -3.33 116.94 117.85 2xbl h PHE 69 Ca -0.00 -0.13 -0.31 0.00 2.80 0.00 0.00 57.97 60.32 2xbl h PHE 69 Cb 1.27 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 39.36 2xbl h PHE 69 CO 0.00 0.80 -1.50 0.28 -0.60 0.00 0.00 178.31 177.29 2xbl h VAL 70 N -0.21 1.21 0.00 -0.55 2.07 -0.92 0.40 116.25 118.24 2xbl h VAL 70 Ca -0.00 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 64.73 2xbl h VAL 70 Cb 0.79 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2xbl h VAL 70 CO 0.04 0.84 0.00 -0.24 0.02 0.00 0.00 177.57 178.23 2xbl n SER 71 N -3.54 0.00 -3.78 0.57 2.88 -0.27 -4.21 113.62 105.26 2xbl n SER 71 Ca -0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 2xbl n SER 71 Cb 1.06 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.46 2xbl n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xbl s ARG 72 N 0.74 1.61 0.00 -1.46 3.03 -1.25 -4.53 118.95 117.09 2xbl s ARG 72 Ca 0.00 -1.47 0.00 0.00 2.03 0.00 0.00 55.73 56.29 2xbl s ARG 72 Cb 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.35 2xbl s ARG 72 CO 0.00 -0.65 0.00 0.34 -1.13 0.00 0.00 175.30 173.86 2xbl n PHE 73 N -0.42 0.00 0.14 5.89 7.35 -1.25 -4.62 117.46 124.55 2xbl n PHE 73 Ca -0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 2xbl n PHE 73 Cb 0.62 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.50 2xbl n PHE 73 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2xbl h ALA 74 N 1.00 0.70 -2.93 3.13 0.00 -1.96 -3.47 119.26 115.74 2xbl h ALA 74 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2xbl h ALA 74 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2xbl h ALA 74 CO 0.00 0.21 0.12 -0.59 0.00 0.00 0.00 179.25 178.98 2xbl s PHE 75 N -3.20 -0.23 0.04 0.00 -0.12 -1.26 -5.13 117.98 108.07 2xbl s PHE 75 Ca 0.02 -0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 56.49 2xbl s PHE 75 Cb 0.08 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.91 2xbl s PHE 75 CO 0.75 -0.97 1.24 0.34 -0.05 0.00 0.00 175.22 176.53 2xbl s ASP 76 N -2.85 7.02 0.27 1.98 2.15 -1.26 -4.86 116.67 119.11 2xbl s ASP 76 Ca 0.08 2.03 -0.20 0.00 0.43 0.00 0.00 52.55 54.89 2xbl s ASP 76 Cb -0.02 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 40.09 2xbl s ASP 76 CO -0.03 -0.54 0.93 0.00 -0.17 0.00 0.00 175.17 175.36 2xbl s ARG 77 N 1.39 1.69 0.83 4.34 1.04 -1.26 -5.13 118.95 121.85 2xbl s ARG 77 Ca 0.60 -1.08 -0.10 0.00 -1.04 0.00 0.00 55.73 54.10 2xbl s ARG 77 Cb -0.30 0.48 0.09 0.00 -2.04 0.00 0.00 34.95 33.18 2xbl s ARG 77 CO 0.28 -0.79 1.11 -2.14 -0.04 0.00 0.00 175.30 173.72 2xbl s PRO 78 N -2.30 1.77 0.53 3.89 0.02 -1.26 -4.92 135.00 132.72 2xbl s PRO 78 Ca 0.19 1.25 -0.21 0.00 0.02 0.00 0.00 61.00 62.25 2xbl s PRO 78 Cb -0.04 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 2xbl s PRO 78 CO 0.08 -2.01 1.20 0.20 -0.33 0.00 0.00 177.00 176.14 2xbl s GLY 79 N -3.17 2.76 0.08 0.52 0.00 -1.26 -4.99 107.32 101.26 2xbl s GLY 79 Ca 0.63 1.00 0.04 0.00 0.00 0.00 0.00 44.72 46.39 2xbl s GLY 79 CO 0.57 1.43 0.01 1.08 0.00 0.00 0.00 173.10 176.19 2xbl s LEU 80 N -3.54 3.53 -0.76 0.66 1.43 0.13 -4.98 118.68 115.15 2xbl s LEU 80 Ca 0.70 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 2xbl s LEU 80 Cb -0.30 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.73 2xbl s LEU 80 CO 0.35 0.18 1.22 -2.16 0.23 0.00 0.00 176.35 176.18 2xbl s PRO 81 N -2.25 3.23 0.02 1.29 0.04 -1.26 -3.72 135.00 132.35 2xbl s PRO 81 Ca 0.26 -0.53 0.03 0.00 0.04 0.00 0.00 61.00 60.80 2xbl s PRO 81 Cb -0.12 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.05 2xbl s PRO 81 CO 0.18 -2.07 -0.10 0.00 0.04 0.00 0.00 177.00 175.06 2xbl s ALA 82 N 5.17 0.77 -0.07 8.56 0.00 -1.26 -1.61 121.76 133.32 2xbl s ALA 82 Ca 0.33 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 2xbl s ALA 82 Cb -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2xbl s ALA 82 CO 0.10 0.13 -0.00 0.08 0.00 0.00 0.00 175.76 176.06 2xbl s VAL 83 N -0.70 0.40 0.08 0.00 1.01 0.22 -4.88 120.40 116.53 2xbl s VAL 83 Ca -0.01 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 2xbl s VAL 83 Cb -0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2xbl s VAL 83 CO 0.00 0.26 0.97 0.00 0.00 0.00 0.00 175.10 176.33 2xbl s ALA 84 N 1.86 3.23 -0.46 5.51 0.00 -1.26 -1.76 121.76 128.88 2xbl s ALA 84 Ca 0.03 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.64 2xbl s ALA 84 Cb -0.12 -3.30 0.50 0.00 0.00 0.00 0.00 23.12 20.20 2xbl s ALA 84 CO -0.05 -0.09 1.37 1.28 0.00 0.00 0.00 175.76 178.28 2xbl n LEU 85 N 3.08 4.39 -0.05 0.00 4.77 0.69 -4.09 117.00 125.78 2xbl n LEU 85 Ca 0.03 -2.25 0.06 0.00 -0.03 0.00 0.00 56.01 53.82 2xbl n LEU 85 Cb 0.50 -0.65 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2xbl n LEU 85 CO 0.51 0.59 0.54 0.35 -1.33 0.00 0.00 177.39 178.05 2xbl n THR 86 N 0.15 1.56 -0.02 -5.08 -2.24 -1.26 -4.82 114.28 102.57 2xbl n THR 86 Ca 0.23 -1.80 -0.02 0.00 -2.27 0.00 0.00 64.05 60.19 2xbl n THR 86 Cb 0.96 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 2xbl n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2xbl n THR 87 N -1.10 0.23 -2.94 4.28 -2.24 -1.26 -4.94 114.28 106.32 2xbl n THR 87 Ca 0.10 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 2xbl n THR 87 Cb 0.51 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2xbl n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2xbl s ASP 88 N -3.54 6.35 0.43 3.42 -1.08 -1.26 -4.90 116.67 116.09 2xbl s ASP 88 Ca -0.02 -0.34 0.24 0.00 -0.52 0.00 0.00 52.55 51.91 2xbl s ASP 88 Cb 0.01 -2.39 0.58 0.00 -1.46 0.00 0.00 42.92 39.66 2xbl s ASP 88 CO 0.13 -1.05 1.69 0.71 0.52 0.00 0.00 175.17 177.17 2xbl h THR 89 N 5.98 0.24 -0.27 1.71 1.35 -1.98 0.29 112.91 120.23 2xbl h THR 89 Ca -0.26 -1.15 -0.08 0.00 -0.55 0.00 0.00 66.41 64.37 2xbl h THR 89 Cb 1.08 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 2xbl h THR 89 CO 1.02 0.12 -0.14 0.28 -0.25 0.00 0.00 175.52 176.55 2xbl h SER 90 N 0.00 0.60 -0.16 5.36 0.02 -1.98 -1.20 113.55 116.18 2xbl h SER 90 Ca -0.00 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2xbl h SER 90 Cb 0.94 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2xbl h SER 90 CO 0.02 0.88 0.08 0.40 -1.14 0.00 0.00 176.83 177.07 2xbl h ILE 91 N 0.32 1.11 -0.20 3.27 2.04 -1.86 -0.12 117.51 122.07 2xbl h ILE 91 Ca 0.06 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2xbl h ILE 91 Cb 0.66 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2xbl h ILE 91 CO 0.04 0.11 0.11 -0.07 0.00 0.00 0.00 178.15 178.34 2xbl h LEU 92 N 0.15 0.25 -0.30 1.44 3.38 -0.95 -0.76 115.31 118.53 2xbl h LEU 92 Ca 0.06 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 2xbl h LEU 92 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2xbl h LEU 92 CO -0.01 0.26 -0.86 0.71 0.09 0.00 0.00 178.44 178.63 2xbl h THR 93 N 0.23 1.55 -0.04 0.22 1.35 -1.23 -1.06 112.91 113.92 2xbl h THR 93 Ca 0.07 -2.74 -0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2xbl h THR 93 Cb 0.06 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2xbl h THR 93 CO -0.01 0.79 0.02 0.00 -0.25 0.00 0.00 175.52 176.07 2xbl h ALA 94 N 1.06 0.05 -0.23 6.62 0.00 -0.88 -0.73 119.26 125.15 2xbl h ALA 94 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2xbl h ALA 94 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2xbl h ALA 94 CO 0.12 -0.39 0.08 0.82 0.00 0.00 0.00 179.25 179.88 2xbl h ILE 95 N -0.05 1.18 -0.38 0.00 2.04 -1.10 0.43 117.51 119.64 2xbl h ILE 95 Ca 0.01 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2xbl h ILE 95 Cb 0.11 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2xbl h ILE 95 CO -0.00 0.19 0.08 1.23 0.00 0.00 0.00 178.15 179.65 2xbl h GLY 96 N 0.21 0.45 1.14 5.37 0.00 -1.18 0.30 103.07 109.35 2xbl h GLY 96 Ca 0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 2xbl h GLY 96 CO -0.00 -0.02 -0.52 -0.57 0.00 0.00 0.00 176.54 175.43 2xbl h ASN 97 N 0.21 0.98 0.19 0.19 -1.24 -0.92 -2.33 115.58 112.66 2xbl h ASN 97 Ca 0.18 -0.52 -0.35 0.00 0.71 0.00 0.00 56.30 56.32 2xbl h ASN 97 Cb 0.20 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 38.98 2xbl h ASN 97 CO -0.23 1.32 -1.70 0.44 -1.29 0.00 0.00 177.43 175.97 2xbl h ASP 98 N 0.68 0.64 0.00 1.15 3.32 0.10 -3.41 116.42 118.90 2xbl h ASP 98 Ca 0.02 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.14 2xbl h ASP 98 Cb 1.13 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2xbl h ASP 98 CO 0.12 1.77 -0.20 -1.22 -1.72 0.00 0.00 179.24 177.99 2xbl n TYR 99 N -3.63 0.00 0.00 4.55 4.01 0.98 -5.06 117.16 118.01 2xbl n TYR 99 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2xbl n TYR 99 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 2xbl n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xbl n GLY 100 N 1.25 2.26 0.29 2.72 0.00 -0.81 -4.67 105.19 106.22 2xbl n GLY 100 Ca 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.36 2xbl n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2xbl h TYR 101 N 0.00 0.21 0.00 1.61 3.20 -1.83 -1.92 116.97 118.24 2xbl h TYR 101 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2xbl h TYR 101 Cb 0.00 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2xbl h TYR 101 CO 0.00 0.13 -0.02 1.49 -1.64 0.00 0.00 178.16 178.12 2xbl h GLU 102 N 0.22 0.00 -0.39 1.82 4.81 -1.93 -2.12 114.58 116.99 2xbl h GLU 102 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2xbl h GLU 102 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2xbl h GLU 102 CO -0.02 0.02 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 2xbl n LYS 103 N -3.37 2.36 -0.24 1.92 5.02 -0.72 -4.15 118.16 118.98 2xbl n LYS 103 Ca -0.02 -2.06 0.04 0.00 -2.02 0.00 0.00 58.31 54.25 2xbl n LYS 103 Cb 0.12 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 33.80 2xbl n LYS 103 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2xbl h LEU 104 N 3.92 -0.18 0.01 -0.35 5.85 -1.50 -1.87 115.31 121.20 2xbl h LEU 104 Ca 0.00 0.17 -0.39 0.00 0.84 0.00 0.00 57.88 58.50 2xbl h LEU 104 Cb 0.87 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 2xbl h LEU 104 CO 0.00 -0.11 -2.45 0.49 -0.34 0.00 0.00 178.44 176.03 2xbl n PHE 105 N -5.25 0.08 -0.25 1.25 3.72 -1.26 -4.18 117.46 111.56 2xbl n PHE 105 Ca 0.13 0.02 0.07 0.00 -0.05 0.00 0.00 57.45 57.61 2xbl n PHE 105 Cb 0.44 -1.01 0.32 0.00 -0.94 0.00 0.00 39.48 38.29 2xbl n PHE 105 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2xbl h SER 106 N -0.02 0.75 -0.19 4.37 4.64 -1.76 0.05 113.55 121.39 2xbl h SER 106 Ca -0.57 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.65 2xbl h SER 106 Cb 1.90 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.83 2xbl h SER 106 CO -0.09 0.46 -0.25 -0.09 -0.87 0.00 0.00 176.83 175.99 2xbl h ARG 107 N 0.84 0.65 -0.35 4.77 2.43 -1.54 -1.27 114.38 119.90 2xbl h ARG 107 Ca 0.37 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 2xbl h ARG 107 Cb 0.35 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2xbl h ARG 107 CO -0.14 0.84 -0.35 1.96 -1.51 0.00 0.00 179.97 180.76 2xbl h GLN 108 N 0.57 0.81 -0.55 0.20 4.20 -1.34 -1.86 115.11 117.14 2xbl h GLN 108 Ca 0.08 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.39 2xbl h GLN 108 Cb 0.72 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 2xbl h GLN 108 CO 0.06 1.03 0.36 0.28 -0.67 0.00 0.00 178.83 179.89 2xbl h VAL 109 N 0.67 1.13 -0.44 -0.54 2.07 -0.80 -0.72 116.25 117.63 2xbl h VAL 109 Ca 0.06 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2xbl h VAL 109 Cb 0.91 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2xbl h VAL 109 CO 0.08 0.13 0.25 -0.61 0.02 0.00 0.00 177.57 177.45 2xbl h GLN 110 N 0.74 0.49 -0.29 1.57 -0.00 -1.06 0.17 115.11 116.72 2xbl h GLN 110 Ca 0.20 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.75 2xbl h GLN 110 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.29 2xbl h GLN 110 CO -0.05 0.33 -0.11 0.00 0.00 0.00 0.00 178.83 178.99 2xbl h ALA 111 N 1.20 0.41 0.00 3.38 0.00 -1.10 -3.39 119.26 119.76 2xbl h ALA 111 Ca 0.18 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2xbl h ALA 111 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2xbl h ALA 111 CO -0.09 0.27 -1.76 1.28 0.00 0.00 0.00 179.25 178.95 2xbl n LEU 112 N -4.44 0.00 -4.77 0.00 4.77 -0.30 -5.01 117.00 107.26 2xbl n LEU 112 Ca -0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.55 2xbl n LEU 112 Cb 0.35 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2xbl n LEU 112 CO 0.41 0.18 0.90 -0.83 -1.33 0.00 0.00 177.39 176.72 2xbl s GLY 113 N -4.13 2.96 0.15 -0.72 0.00 0.58 -5.05 107.32 101.10 2xbl s GLY 113 Ca -0.06 1.10 0.10 0.00 0.00 0.00 0.00 44.72 45.87 2xbl s GLY 113 CO 0.53 1.69 -0.24 -1.31 0.00 0.00 0.00 173.10 173.77 2xbl s ASN 114 N -0.80 3.11 0.12 1.64 0.01 -1.26 -4.92 114.94 112.84 2xbl s ASN 114 Ca 0.52 -0.79 -0.35 0.00 -0.71 0.00 0.00 52.86 51.53 2xbl s ASN 114 Cb -0.35 -0.21 -0.16 0.00 0.41 0.00 0.00 41.25 40.94 2xbl s ASN 114 CO 0.46 0.11 1.34 1.21 -1.51 0.00 0.00 177.10 178.70 2xbl n GLU 115 N 0.66 1.30 0.00 -0.60 2.13 -1.21 -1.29 120.64 121.62 2xbl n GLU 115 Ca -0.16 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2xbl n GLU 115 Cb 0.55 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.16 2xbl n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2xbl n GLY 116 N 2.51 1.93 3.63 8.31 0.00 -0.32 -4.96 105.19 116.29 2xbl n GLY 116 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2xbl n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2xbl s ASP 117 N -2.00 2.19 -0.08 1.61 1.01 -0.41 -4.63 116.67 114.35 2xbl s ASP 117 Ca 0.00 1.28 0.03 0.00 0.71 0.00 0.00 52.55 54.58 2xbl s ASP 117 Cb 0.00 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 2xbl s ASP 117 CO 0.00 -3.41 -0.18 -0.69 0.21 0.00 0.00 175.17 171.09 2xbl s VAL 118 N -2.83 2.63 -0.21 -1.27 1.01 -0.89 -1.45 120.40 117.39 2xbl s VAL 118 Ca 0.66 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 2xbl s VAL 118 Cb -0.20 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2xbl s VAL 118 CO 0.59 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 176.04 2xbl s LEU 119 N -0.14 3.26 -0.29 3.92 2.96 0.08 -0.15 118.68 128.33 2xbl s LEU 119 Ca -0.03 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.57 2xbl s LEU 119 Cb -0.14 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2xbl s LEU 119 CO 0.04 0.04 0.15 -0.63 -1.32 0.00 0.00 176.35 174.63 2xbl s ILE 120 N 1.15 4.84 -0.14 6.68 1.01 0.11 -0.48 121.20 134.36 2xbl s ILE 120 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.56 2xbl s ILE 120 Cb -0.14 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2xbl s ILE 120 CO 0.02 0.19 -0.19 -0.83 0.00 0.00 0.00 174.94 174.13 2xbl s GLY 121 N 1.68 1.41 -0.16 6.18 0.00 0.20 -0.72 107.32 115.91 2xbl s GLY 121 Ca 0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.66 2xbl s GLY 121 CO 0.08 -0.05 0.09 -0.19 0.00 0.00 0.00 173.10 173.03 2xbl s TYR 122 N 0.73 3.38 -0.25 1.90 2.02 0.28 -1.35 117.35 124.05 2xbl s TYR 122 Ca -0.08 0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 56.82 2xbl s TYR 122 Cb -0.16 -2.02 0.11 0.00 -0.40 0.00 0.00 41.96 39.49 2xbl s TYR 122 CO 0.01 0.40 0.53 0.45 -1.57 0.00 0.00 175.55 175.37 2xbl s SER 123 N -0.19 -0.70 0.13 2.29 0.15 -0.45 -4.44 113.70 110.49 2xbl s SER 123 Ca 0.09 1.27 -0.07 0.00 0.70 0.00 0.00 55.95 57.94 2xbl s SER 123 Cb -0.12 1.82 -0.07 0.00 -1.71 0.00 0.00 66.02 65.94 2xbl s SER 123 CO 0.01 -0.23 1.34 0.71 1.20 0.00 0.00 173.24 176.27 2xbl h THR 124 N 6.09 1.34 0.00 6.45 1.35 -1.93 -3.04 112.91 123.16 2xbl h THR 124 Ca -0.17 -2.16 -0.05 0.00 -0.55 0.00 0.00 66.41 63.48 2xbl h THR 124 Cb 1.11 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 2xbl h THR 124 CO 0.11 0.66 -0.24 0.77 -0.25 0.00 0.00 175.52 176.58 2xbl h SER 125 N 0.37 0.00 -0.00 5.36 4.64 -1.96 -3.34 113.55 118.61 2xbl h SER 125 Ca -0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2xbl h SER 125 Cb 1.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2xbl h SER 125 CO 0.15 0.24 -0.00 0.61 -0.87 0.00 0.00 176.83 176.96 2xbl n GLY 126 N 0.66 0.41 0.00 -0.77 0.00 -1.15 -4.88 105.19 99.46 2xbl n GLY 126 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2xbl n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xbl n LYS 127 N -2.21 4.77 -1.64 1.61 5.02 -1.26 -4.38 118.16 120.06 2xbl n LYS 127 Ca -0.00 -0.05 -0.44 0.00 -2.02 0.00 0.00 58.31 55.80 2xbl n LYS 127 Cb 0.10 -0.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.62 2xbl n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2xbl n SER 128 N -0.69 3.74 -0.28 4.39 7.64 -1.26 -4.85 113.62 122.31 2xbl n SER 128 Ca 0.00 0.74 0.03 0.00 1.01 0.00 0.00 58.87 60.66 2xbl n SER 128 Cb 0.01 -1.49 0.24 0.00 -1.01 0.00 0.00 64.21 61.96 2xbl n SER 128 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2xbl h PRO 129 N 11.38 0.99 0.00 1.43 0.11 -1.96 -1.71 132.00 142.25 2xbl h PRO 129 Ca -0.47 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2xbl h PRO 129 Cb 1.25 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2xbl h PRO 129 CO 0.95 0.66 -0.17 -2.95 -0.21 0.00 0.00 178.00 176.27 2xbl h ASN 130 N 1.02 0.00 -0.01 -2.05 7.08 -1.84 -0.83 115.58 118.96 2xbl h ASN 130 Ca 0.36 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.44 2xbl h ASN 130 Cb 0.12 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.38 2xbl h ASN 130 CO -0.12 0.17 -0.54 0.40 -2.08 0.00 0.00 177.43 175.26 2xbl h ILE 131 N 0.00 1.44 -0.85 6.14 1.08 -1.64 -2.41 117.51 121.27 2xbl h ILE 131 Ca -0.00 -2.04 -0.01 0.00 -0.39 0.00 0.00 64.86 62.42 2xbl h ILE 131 Cb 0.35 2.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.65 2xbl h ILE 131 CO 0.02 0.59 0.47 -0.07 -0.69 0.00 0.00 178.15 178.47 2xbl h LEU 132 N -0.14 1.06 -1.24 1.44 3.38 -1.19 -1.88 115.31 116.73 2xbl h LEU 132 Ca -0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2xbl h LEU 132 Cb 1.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2xbl h LEU 132 CO 0.11 0.85 0.25 0.00 0.09 0.00 0.00 178.44 179.73 2xbl h ALA 133 N 1.25 1.41 -0.41 1.53 0.00 -1.19 -2.24 119.26 119.61 2xbl h ALA 133 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2xbl h ALA 133 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2xbl h ALA 133 CO -0.05 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.69 2xbl h ALA 134 N 1.50 0.55 -0.76 0.00 0.00 -0.83 -1.83 119.26 117.90 2xbl h ALA 134 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2xbl h ALA 134 Cb 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2xbl h ALA 134 CO -0.02 0.30 0.45 0.74 0.00 0.00 0.00 179.25 180.72 2xbl h PHE 135 N 0.55 1.00 -0.62 0.00 0.04 -1.07 0.12 116.94 116.95 2xbl h PHE 135 Ca 0.12 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 2xbl h PHE 135 Cb 0.43 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 2xbl h PHE 135 CO 0.03 0.68 0.21 0.00 -0.60 0.00 0.00 178.31 178.63 2xbl h ARG 136 N 1.04 0.96 -0.30 1.51 3.08 -1.19 -0.56 114.38 118.91 2xbl h ARG 136 Ca 0.27 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2xbl h ARG 136 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2xbl h ARG 136 CO -0.05 0.83 -0.07 1.49 -1.07 0.00 0.00 179.97 181.10 2xbl h GLU 137 N 0.89 0.58 -0.64 0.04 4.57 -1.01 -2.42 114.58 116.60 2xbl h GLU 137 Ca 0.20 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2xbl h GLU 137 Cb 0.26 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 2xbl h GLU 137 CO -0.01 0.77 0.37 0.00 -1.18 0.00 0.00 179.01 178.96 2xbl h ALA 138 N 0.79 0.82 -0.76 2.92 0.00 -0.53 -2.12 119.26 120.38 2xbl h ALA 138 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2xbl h ALA 138 Cb 0.55 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2xbl h ALA 138 CO 0.03 0.32 0.32 -0.22 0.00 0.00 0.00 179.25 179.69 2xbl h LYS 139 N 0.87 1.13 0.00 0.00 1.63 -1.08 -0.38 116.57 118.75 2xbl h LYS 139 Ca 0.23 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2xbl h LYS 139 Cb 0.01 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 2xbl h LYS 139 CO -0.04 0.92 -0.09 0.00 -3.45 0.00 0.00 179.45 176.79 2xbl h ALA 140 N 1.16 1.79 -0.22 5.00 0.00 -1.01 -1.39 119.26 124.59 2xbl h ALA 140 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2xbl h ALA 140 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2xbl h ALA 140 CO -0.02 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.96 2xbl n LYS 141 N -4.34 1.77 -2.17 0.00 4.76 -0.75 -4.92 118.16 112.51 2xbl n LYS 141 Ca -0.03 -1.17 -0.06 0.00 -2.87 0.00 0.00 58.31 54.19 2xbl n LYS 141 Cb 0.16 -1.37 -0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2xbl n LYS 141 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2xbl n GLY 142 N 1.12 0.17 3.91 0.72 0.00 -0.52 -3.34 105.19 107.25 2xbl n GLY 142 Ca 0.15 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2xbl n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2xbl s MET 143 N -4.38 3.53 0.05 1.61 -1.94 -0.23 -1.18 119.30 116.76 2xbl s MET 143 Ca 0.01 -0.25 -0.31 0.00 -1.71 0.00 0.00 55.69 53.43 2xbl s MET 143 Cb -0.01 -2.96 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 2xbl s MET 143 CO 0.02 0.55 1.21 0.99 -0.01 0.00 0.00 175.02 177.77 2xbl s THR 144 N -1.56 4.04 -0.32 2.05 2.01 -0.53 -4.22 115.64 117.11 2xbl s THR 144 Ca 0.37 1.46 -0.11 0.00 0.31 0.00 0.00 61.69 63.72 2xbl s THR 144 Cb -0.13 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 2xbl s THR 144 CO 0.25 0.10 0.19 0.00 -0.69 0.00 0.00 174.62 174.47 2xbl s VAL 146 N 1.67 3.23 -0.08 0.00 1.01 0.36 -0.36 120.40 126.24 2xbl s VAL 146 Ca 0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2xbl s VAL 146 Cb -0.17 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2xbl s VAL 146 CO 0.08 0.49 -0.04 -0.83 0.00 0.00 0.00 175.10 174.80 2xbl s GLY 147 N 0.78 1.75 -0.21 4.51 0.00 -0.02 -0.63 107.32 113.50 2xbl s GLY 147 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 2xbl s GLY 147 CO 0.01 -0.57 -0.07 -1.36 0.00 0.00 0.00 173.10 171.12 2xbl s PHE 148 N -0.70 2.93 0.00 1.90 2.99 -0.46 -0.37 117.98 124.27 2xbl s PHE 148 Ca 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 56.93 56.07 2xbl s PHE 148 Cb -0.11 -2.06 0.00 0.00 0.00 0.00 0.00 43.02 40.85 2xbl s PHE 148 CO 0.02 -0.53 0.00 -2.37 -0.00 0.00 0.00 175.22 172.34 2xbl n THR 149 N 4.64 0.00 -0.73 0.64 5.66 0.21 -1.34 114.28 123.35 2xbl n THR 149 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2xbl n THR 149 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2xbl n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2xbl n GLY 150 N 0.00 2.65 1.20 1.09 0.00 -1.25 -1.34 105.19 107.54 2xbl n GLY 150 Ca 0.00 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.29 2xbl n GLY 150 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2xbl n ASN 151 N 0.00 4.17 0.06 1.61 0.23 -0.60 -3.89 115.26 116.85 2xbl n ASN 151 Ca 0.00 -2.53 0.12 0.00 -0.53 0.00 0.00 54.58 51.65 2xbl n ASN 151 Cb 0.00 -0.50 0.47 0.00 -2.08 0.00 0.00 39.78 37.68 2xbl n ASN 151 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2xbl n ARG 152 N 0.51 0.14 0.00 -3.83 1.74 -1.26 -4.98 116.66 108.99 2xbl n ARG 152 Ca 0.21 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2xbl n ARG 152 Cb 0.80 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2xbl n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xbl n GLY 153 N 1.01 -0.36 0.00 -0.13 0.00 -1.26 -5.07 105.19 99.38 2xbl n GLY 153 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2xbl n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xbl n GLY 154 N 0.00 -0.67 0.24 -0.02 0.00 -1.26 -4.74 105.19 98.75 2xbl n GLY 154 Ca 0.00 -2.16 0.16 0.00 0.00 0.00 0.00 46.02 44.02 2xbl n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2xbl h GLU 155 N 1.02 0.00 0.00 1.61 5.08 -1.98 -3.15 114.58 117.16 2xbl h GLU 155 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2xbl h GLU 155 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2xbl h GLU 155 CO 0.00 0.00 -0.08 0.52 -1.00 0.00 0.00 179.01 178.45 2xbl h MET 156 N 0.00 0.00 -0.57 2.33 2.86 -1.85 -0.71 114.93 116.99 2xbl h MET 156 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2xbl h MET 156 Cb 0.47 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2xbl h MET 156 CO 0.00 0.08 0.24 0.00 1.06 0.00 0.00 176.91 178.29 2xbl h ARG 157 N 0.00 0.82 0.07 1.72 3.08 -1.88 -0.62 114.38 117.57 2xbl h ARG 157 Ca -0.00 -0.12 -0.29 0.00 0.07 0.00 0.00 59.98 59.64 2xbl h ARG 157 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2xbl h ARG 157 CO 0.01 0.67 -1.49 1.49 -1.07 0.00 0.00 179.97 179.57 2xbl h GLU 158 N 0.81 0.15 0.00 0.04 4.81 -1.41 -3.37 114.58 115.62 2xbl h GLU 158 Ca 0.20 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2xbl h GLU 158 Cb 0.14 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2xbl h GLU 158 CO -0.02 0.96 -0.58 -0.07 -0.73 0.00 0.00 179.01 178.57 2xbl h LEU 159 N 0.04 0.00 -9.55 1.64 3.38 -1.12 -3.46 115.31 106.25 2xbl h LEU 159 Ca -0.22 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.08 2xbl h LEU 159 Cb 1.97 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.63 2xbl h LEU 159 CO 0.13 0.31 -0.51 0.00 0.09 0.00 0.00 178.44 178.46 2xbl h ASP 161 N 5.07 0.97 -3.45 0.00 3.32 -1.02 -3.44 116.42 117.87 2xbl h ASP 161 Ca -0.54 -0.44 -0.43 0.00 0.02 0.00 0.00 57.03 55.65 2xbl h ASP 161 Cb 1.22 -0.27 -0.34 0.00 0.22 0.00 0.00 39.33 40.16 2xbl h ASP 161 CO 0.58 1.23 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.79 2xbl s LEU 162 N -8.86 1.38 -0.12 1.55 1.43 -0.98 -5.05 118.68 108.04 2xbl s LEU 162 Ca -0.11 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2xbl s LEU 162 Cb 0.11 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.84 2xbl s LEU 162 CO 0.88 -0.04 -0.11 -0.22 0.23 0.00 0.00 176.35 177.09 2xbl s LEU 163 N 0.88 1.44 -0.31 1.79 2.96 -1.26 -0.84 118.68 123.33 2xbl s LEU 163 Ca -0.12 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 2xbl s LEU 163 Cb -0.15 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 2xbl s LEU 163 CO 0.01 -0.07 0.42 -0.76 -1.32 0.00 0.00 176.35 174.62 2xbl s LEU 164 N 1.46 4.22 -0.42 -0.68 1.43 0.50 -4.98 118.68 120.22 2xbl s LEU 164 Ca 0.02 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2xbl s LEU 164 Cb -0.13 -2.46 0.11 0.00 0.03 0.00 0.00 46.19 43.74 2xbl s LEU 164 CO -0.07 -0.31 0.23 -1.61 0.23 0.00 0.00 176.35 174.82 2xbl s GLU 165 N 2.16 2.12 0.27 1.70 2.02 -1.26 -0.62 118.70 125.09 2xbl s GLU 165 Ca 0.16 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.06 2xbl s GLU 165 Cb -0.16 -3.65 -0.10 0.00 0.10 0.00 0.00 34.13 30.32 2xbl s GLU 165 CO 0.11 -1.08 1.47 0.08 0.02 0.00 0.00 175.26 175.86 2xbl s VAL 166 N 1.20 2.50 -1.22 2.63 1.01 -0.45 -4.77 120.40 121.30 2xbl s VAL 166 Ca 0.07 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 2xbl s VAL 166 Cb -0.23 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2xbl s VAL 166 CO -0.03 0.07 2.42 -2.65 0.00 0.00 0.00 175.10 174.91 2xbl n PRO 167 N 2.13 2.71 -3.60 2.72 -0.02 -1.26 -2.03 135.00 135.64 2xbl n PRO 167 Ca 0.06 -1.87 -0.14 0.00 -2.02 0.00 0.00 63.50 59.54 2xbl n PRO 167 Cb 0.40 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 2xbl n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2xbl s SER 168 N 3.07 -0.41 0.00 2.55 0.15 -1.26 -4.91 113.70 112.89 2xbl s SER 168 Ca 0.53 0.17 0.21 0.00 0.70 0.00 0.00 55.95 57.56 2xbl s SER 168 Cb 0.14 0.47 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 2xbl s SER 168 CO -0.03 -0.68 1.05 0.00 1.20 0.00 0.00 173.24 174.77 2xbl n ALA 169 N 0.52 3.19 -2.61 5.45 0.00 -1.26 -1.55 120.51 124.25 2xbl n ALA 169 Ca -0.19 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.23 2xbl n ALA 169 Cb 0.60 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 2xbl n ALA 169 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xbl s ASP 170 N -2.16 6.37 0.18 0.00 2.15 -1.26 -4.98 116.67 116.97 2xbl s ASP 170 Ca 0.19 0.39 -0.24 0.00 0.43 0.00 0.00 52.55 53.31 2xbl s ASP 170 Cb 0.17 -2.26 0.06 0.00 -0.30 0.00 0.00 42.92 40.59 2xbl s ASP 170 CO 0.45 -0.29 1.57 0.74 -0.17 0.00 0.00 175.17 177.47 2xbl h THR 171 N 5.43 0.10 -0.77 1.71 2.02 -1.93 0.21 112.91 119.68 2xbl h THR 171 Ca -0.29 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2xbl h THR 171 Cb 1.14 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2xbl h THR 171 CO 0.71 0.00 0.42 -0.65 0.37 0.00 0.00 175.52 176.36 2xbl h PRO 172 N -0.20 1.07 -0.30 6.66 0.11 -1.99 -0.60 132.00 136.75 2xbl h PRO 172 Ca 0.20 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 2xbl h PRO 172 Cb 0.56 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2xbl h PRO 172 CO -0.71 0.79 -0.34 0.87 -0.21 0.00 0.00 178.00 178.40 2xbl h LYS 173 N 1.08 0.65 -0.72 1.05 1.79 -1.71 -1.40 116.57 117.31 2xbl h LYS 173 Ca 0.27 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 2xbl h LYS 173 Cb 0.03 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2xbl h LYS 173 CO -0.04 0.90 0.26 0.82 -1.08 0.00 0.00 179.45 180.30 2xbl h ILE 174 N 0.55 1.25 -0.69 1.86 2.04 -0.51 -1.54 117.51 120.47 2xbl h ILE 174 Ca 0.06 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 2xbl h ILE 174 Cb 0.84 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2xbl h ILE 174 CO 0.07 0.33 0.16 1.56 0.00 0.00 0.00 178.15 180.27 2xbl h GLN 175 N 1.05 1.12 -0.61 2.37 4.20 -0.90 0.50 115.11 122.84 2xbl h GLN 175 Ca 0.24 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2xbl h GLN 175 Cb 0.26 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2xbl h GLN 175 CO -0.01 0.99 0.34 0.93 -0.67 0.00 0.00 178.83 180.40 2xbl h GLU 176 N 1.06 0.85 -0.54 1.46 5.08 -0.98 -1.45 114.58 120.06 2xbl h GLU 176 Ca 0.22 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2xbl h GLU 176 Cb 0.39 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2xbl h GLU 176 CO 0.00 0.65 0.34 0.78 -1.00 0.00 0.00 179.01 179.78 2xbl h GLY 177 N 0.83 0.77 0.77 -3.84 0.00 -0.86 -2.79 103.07 97.94 2xbl h GLY 177 Ca 0.22 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2xbl h GLY 177 CO -0.03 0.24 0.65 0.45 0.00 0.00 0.00 176.54 177.85 2xbl h HIS 178 N 0.68 1.21 -0.34 5.60 3.86 -0.29 -0.57 115.15 125.31 2xbl h HIS 178 Ca 0.21 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 2xbl h HIS 178 Cb -0.02 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.04 2xbl h HIS 178 CO -0.05 0.64 -0.02 1.25 0.86 0.00 0.00 177.93 180.61 2xbl h LEU 179 N 1.20 0.60 -0.47 2.43 5.85 -1.08 0.21 115.31 124.06 2xbl h LEU 179 Ca 0.43 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2xbl h LEU 179 Cb 0.13 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2xbl h LEU 179 CO -0.16 0.78 0.23 0.58 -0.34 0.00 0.00 178.44 179.53 2xbl h VAL 180 N 0.41 0.96 -0.27 1.05 2.07 -1.19 -0.75 116.25 118.52 2xbl h VAL 180 Ca 0.09 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 2xbl h VAL 180 Cb 0.48 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2xbl h VAL 180 CO 0.02 0.08 -0.55 -0.07 0.02 0.00 0.00 177.57 177.08 2xbl h LEU 181 N 0.46 0.91 -0.67 2.57 3.38 -0.92 -2.12 115.31 118.92 2xbl h LEU 181 Ca 0.20 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2xbl h LEU 181 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2xbl h LEU 181 CO -0.15 1.28 0.39 1.23 0.09 0.00 0.00 178.44 181.27 2xbl h GLY 182 N 0.76 0.99 0.69 0.83 0.00 -0.42 -1.00 103.07 104.92 2xbl h GLY 182 Ca 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 46.97 2xbl h GLY 182 CO 0.12 0.41 0.37 0.45 0.00 0.00 0.00 176.54 177.89 2xbl h HIS 183 N 0.91 0.68 -0.33 5.60 3.86 -1.02 -0.85 115.15 124.01 2xbl h HIS 183 Ca 0.24 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 2xbl h HIS 183 Cb 0.01 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2xbl h HIS 183 CO -0.01 0.33 0.12 0.82 0.86 0.00 0.00 177.93 180.05 2xbl h ILE 184 N 0.69 1.19 -0.41 2.45 2.04 -0.83 -0.44 117.51 122.19 2xbl h ILE 184 Ca 0.30 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2xbl h ILE 184 Cb 0.18 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2xbl h ILE 184 CO -0.18 0.21 0.17 0.58 0.00 0.00 0.00 178.15 178.94 2xbl h VAL 185 N 0.39 0.92 0.02 1.67 2.07 -0.88 0.22 116.25 120.65 2xbl h VAL 185 Ca 0.11 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2xbl h VAL 185 Cb 0.21 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2xbl h VAL 185 CO -0.01 0.07 -0.18 0.00 0.02 0.00 0.00 177.57 177.47 2xbl h GLY 187 N -0.31 1.05 0.89 0.00 0.00 -0.74 0.58 103.07 104.55 2xbl h GLY 187 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2xbl h GLY 187 CO -0.16 0.16 0.07 1.41 0.00 0.00 0.00 176.54 178.03 2xbl h LEU 188 N 0.73 0.44 -0.05 3.11 3.38 -0.65 -1.04 115.31 121.24 2xbl h LEU 188 Ca 0.32 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2xbl h LEU 188 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2xbl h LEU 188 CO -0.19 0.56 0.02 0.58 0.09 0.00 0.00 178.44 179.50 2xbl h VAL 189 N 0.31 1.11 -0.43 1.22 2.07 -0.88 -1.13 116.25 118.52 2xbl h VAL 189 Ca 0.09 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2xbl h VAL 189 Cb 0.29 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2xbl h VAL 189 CO 0.00 0.09 0.17 -0.08 0.02 0.00 0.00 177.57 177.77 2xbl h GLU 190 N -0.05 0.34 -0.40 1.57 4.81 -0.86 -1.35 114.58 118.64 2xbl h GLU 190 Ca 0.02 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2xbl h GLU 190 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2xbl h GLU 190 CO -0.00 0.23 -0.31 1.25 -0.73 0.00 0.00 179.01 179.45 2xbl h HIS 191 N 0.35 1.05 -0.36 0.92 2.76 -1.09 -0.62 115.15 118.16 2xbl h HIS 191 Ca 0.19 -0.28 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 2xbl h HIS 191 Cb 0.16 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2xbl h HIS 191 CO -0.13 1.09 0.14 1.03 -1.30 0.00 0.00 177.93 178.75 2xbl h SER 192 N 0.75 0.51 -0.03 3.26 0.87 -0.96 0.20 113.55 118.15 2xbl h SER 192 Ca 0.08 -0.17 -0.19 0.00 -1.23 0.00 0.00 61.79 60.28 2xbl h SER 192 Cb 0.88 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2xbl h SER 192 CO 0.08 0.54 -0.73 0.40 -0.53 0.00 0.00 176.83 176.59 2xbl h ILE 193 N 0.44 1.36 0.00 2.23 1.08 -1.19 -3.39 117.51 118.03 2xbl h ILE 193 Ca 0.12 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 2xbl h ILE 193 Cb 0.19 2.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 2xbl h ILE 193 CO -0.01 0.62 0.00 0.49 -0.69 0.00 0.00 178.15 178.56 2xbl n PHE 194 N -4.09 0.00 -2.97 1.37 3.72 -0.25 -5.07 117.46 110.16 2xbl n PHE 194 Ca -0.10 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.07 2xbl n PHE 194 Cb 0.73 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.28 2xbl n PHE 194 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2xbl s GLY 195 N -0.30 1.57 0.05 1.37 0.00 0.70 -4.99 107.32 105.72 2xbl s GLY 195 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.71 2xbl s GLY 195 CO 0.00 -0.88 -0.13 0.54 0.00 0.00 0.00 173.10 172.63 2xbl s LYS 196 N -4.56 0.82 0.00 2.90 1.02 -1.26 -4.85 119.74 113.81 2xbl s LYS 196 Ca 0.48 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.69 2xbl s LYS 196 Cb -0.10 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 2xbl s LYS 196 CO 0.38 0.19 0.00 1.04 -0.92 0.00 0.00 175.35 176.04