#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 0.60 0.07 1.20 0.11 -2.05 -2.52 114.38 111.78 2xbl h ARG 4 Ca 0.00 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 59.99 2xbl h ARG 4 Cb 0.00 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 30.97 2xbl h ARG 4 CO 0.00 0.51 -0.03 0.93 0.10 0.00 0.00 179.97 181.48 2xbl h GLU 5 N 0.59 -0.09 -0.74 0.08 3.07 -2.05 0.93 114.58 116.37 2xbl h GLU 5 Ca 0.14 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 2xbl h GLU 5 Cb 0.15 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 2xbl h GLU 5 CO -0.01 0.06 0.33 1.25 -1.40 0.00 0.00 179.01 179.24 2xbl h LEU 6 N -0.23 0.98 -0.42 1.33 5.85 -1.97 -0.14 115.31 120.72 2xbl h LEU 6 Ca -0.01 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2xbl h LEU 6 Cb 0.19 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2xbl h LEU 6 CO 0.02 0.84 0.24 0.74 -0.34 0.00 0.00 178.44 179.94 2xbl h THR 7 N 1.06 1.15 -0.42 1.05 2.02 -1.15 0.30 112.91 116.91 2xbl h THR 7 Ca 0.25 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2xbl h THR 7 Cb 0.14 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2xbl h THR 7 CO -0.03 0.15 0.28 0.22 0.37 0.00 0.00 175.52 176.51 2xbl h TYR 8 N 0.55 0.52 0.15 3.16 3.20 -0.36 -0.26 116.97 123.93 2xbl h TYR 8 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2xbl h TYR 8 Cb 0.03 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2xbl h TYR 8 CO -0.03 0.33 -0.07 0.82 -1.64 0.00 0.00 178.16 177.57 2xbl h ILE 9 N 0.57 0.92 -0.60 1.81 2.04 -0.68 -1.30 117.51 120.27 2xbl h ILE 9 Ca 0.16 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2xbl h ILE 9 Cb -0.06 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2xbl h ILE 9 CO -0.04 0.07 0.25 0.71 0.00 0.00 0.00 178.15 179.15 2xbl h THR 10 N -0.35 1.23 -0.96 -0.27 1.35 -0.92 -2.08 112.91 110.91 2xbl h THR 10 Ca -0.02 -0.69 0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2xbl h THR 10 Cb 0.28 0.55 -0.05 0.00 -1.73 0.00 0.00 68.15 67.20 2xbl h THR 10 CO 0.03 0.27 0.64 0.78 -0.25 0.00 0.00 175.52 176.99 2xbl h ASN 11 N 0.83 1.10 -0.27 5.36 2.35 -0.95 0.70 115.58 124.69 2xbl h ASN 11 Ca 0.20 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2xbl h ASN 11 Cb 0.18 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2xbl h ASN 11 CO -0.02 0.79 -0.04 0.28 -1.65 0.00 0.00 177.43 176.79 2xbl h SER 12 N 1.30 0.51 -0.46 5.81 0.02 -0.89 -0.52 113.55 119.32 2xbl h SER 12 Ca 0.36 -0.34 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2xbl h SER 12 Cb -0.13 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2xbl h SER 12 CO -0.08 0.73 0.06 0.40 -1.14 0.00 0.00 176.83 176.80 2xbl h ILE 13 N 0.28 1.25 -0.46 3.27 2.04 -1.20 -2.25 117.51 120.43 2xbl h ILE 13 Ca 0.07 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2xbl h ILE 13 Cb 0.49 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2xbl h ILE 13 CO 0.02 0.33 0.27 0.00 0.00 0.00 0.00 178.15 178.77 2xbl h ALA 14 N 0.95 1.61 -0.17 1.87 0.00 -0.69 -0.55 119.26 122.28 2xbl h ALA 14 Ca 0.14 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2xbl h ALA 14 Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2xbl h ALA 14 CO 0.01 0.34 -0.64 1.49 0.00 0.00 0.00 179.25 180.45 2xbl h GLU 15 N 0.64 0.61 -0.63 0.00 4.57 -0.91 -1.10 114.58 117.75 2xbl h GLU 15 Ca 0.17 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2xbl h GLU 15 Cb -0.02 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2xbl h GLU 15 CO -0.03 1.06 0.41 0.00 -1.18 0.00 0.00 179.01 179.26 2xbl h ALA 16 N 0.84 0.80 -0.56 2.92 0.00 -0.80 -0.20 119.26 122.26 2xbl h ALA 16 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2xbl h ALA 16 Cb 1.22 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2xbl h ALA 16 CO 0.12 0.25 0.32 0.37 0.00 0.00 0.00 179.25 180.31 2xbl h GLN 17 N 0.86 0.60 -0.72 0.00 4.15 -0.94 -1.37 115.11 117.68 2xbl h GLN 17 Ca 0.23 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 2xbl h GLN 17 Cb -0.08 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 2xbl h GLN 17 CO -0.05 0.39 0.24 -0.09 -1.93 0.00 0.00 178.83 177.40 2xbl h ARG 18 N 0.61 1.11 -0.29 1.69 2.43 -0.65 -0.12 114.38 119.16 2xbl h ARG 18 Ca 0.24 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2xbl h ARG 18 Cb 0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2xbl h ARG 18 CO -0.13 0.94 0.15 0.28 -1.51 0.00 0.00 179.97 179.70 2xbl h VAL 19 N 1.05 1.13 -0.56 0.20 2.07 -0.75 0.66 116.25 120.06 2xbl h VAL 19 Ca 0.23 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2xbl h VAL 19 Cb 0.28 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2xbl h VAL 19 CO -0.01 0.14 0.37 0.24 0.02 0.00 0.00 177.57 178.32 2xbl h MET 20 N 0.34 0.75 -0.87 1.57 2.86 -0.94 -1.10 114.93 117.55 2xbl h MET 20 Ca 0.10 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2xbl h MET 20 Cb 0.08 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 2xbl h MET 20 CO -0.01 0.51 0.56 0.00 1.06 0.00 0.00 176.91 179.02 2xbl h ALA 21 N 1.20 1.13 -0.40 6.32 0.00 -0.67 -0.88 119.26 125.96 2xbl h ALA 21 Ca 0.21 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2xbl h ALA 21 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2xbl h ALA 21 CO -0.04 0.43 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 2xbl h ALA 22 N 1.35 0.57 -0.76 0.00 0.00 -0.37 -2.47 119.26 117.57 2xbl h ALA 22 Ca 0.34 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2xbl h ALA 22 Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2xbl h ALA 22 CO -0.11 0.54 0.25 0.52 0.00 0.00 0.00 179.25 180.46 2xbl h MET 23 N 0.67 1.17 -0.48 0.00 2.86 -0.93 -2.53 114.93 115.68 2xbl h MET 23 Ca 0.09 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2xbl h MET 23 Cb 0.79 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2xbl h MET 23 CO 0.06 0.98 0.30 1.25 1.06 0.00 0.00 176.91 180.56 2xbl h LEU 24 N 1.12 0.57 -0.31 1.22 5.85 -0.96 -2.21 115.31 120.59 2xbl h LEU 24 Ca 0.25 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2xbl h LEU 24 Cb 0.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2xbl h LEU 24 CO -0.01 0.43 -0.22 0.00 -0.34 0.00 0.00 178.44 178.30 2xbl n ALA 25 N -2.46 2.98 -3.17 1.25 0.00 -0.95 -4.71 120.51 113.44 2xbl n ALA 25 Ca 0.04 -0.33 -0.46 0.00 0.00 0.00 0.00 53.44 52.69 2xbl n ALA 25 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.57 6.75 0.27 0.00 -1.08 -0.83 -4.90 116.67 114.30 2xbl s ASP 26 Ca 0.24 -2.50 -0.00 0.00 -0.52 0.00 0.00 52.55 49.77 2xbl s ASP 26 Cb 0.19 -2.28 0.49 0.00 -1.46 0.00 0.00 42.92 39.86 2xbl s ASP 26 CO 0.52 -0.75 1.85 -0.33 0.52 0.00 0.00 175.17 176.99 2xbl h GLU 27 N 8.10 1.01 -0.60 4.34 5.08 -1.84 -1.63 114.58 129.04 2xbl h GLU 27 Ca 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2xbl h GLU 27 Cb 1.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2xbl h GLU 27 CO 0.90 0.67 0.22 -0.09 -1.00 0.00 0.00 179.01 179.71 2xbl h ARG 28 N 1.04 0.91 -0.44 2.33 2.43 -1.96 -1.32 114.38 117.38 2xbl h ARG 28 Ca 0.47 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2xbl h ARG 28 Cb 0.38 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2xbl h ARG 28 CO -0.23 0.79 0.23 1.25 -1.51 0.00 0.00 179.97 180.49 2xbl h LEU 29 N 0.84 0.55 -0.92 3.80 5.85 -1.68 -1.40 115.31 122.35 2xbl h LEU 29 Ca 0.20 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2xbl h LEU 29 Cb 0.23 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2xbl h LEU 29 CO -0.01 0.50 0.37 -0.07 -0.34 0.00 0.00 178.44 178.88 2xbl h LEU 30 N 0.57 1.04 -0.95 2.25 3.38 -1.09 -0.81 115.31 119.70 2xbl h LEU 30 Ca 0.15 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2xbl h LEU 30 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2xbl h LEU 30 CO -0.02 0.89 -0.02 0.00 0.09 0.00 0.00 178.44 179.37 2xbl h ALA 31 N 1.27 1.13 -0.44 1.53 0.00 -1.08 -2.37 119.26 119.30 2xbl h ALA 31 Ca 0.27 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2xbl h ALA 31 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2xbl h ALA 31 CO -0.03 0.55 -0.19 1.15 0.00 0.00 0.00 179.25 180.73 2xbl h THR 32 N 0.69 1.27 -0.52 0.00 2.02 -0.51 -1.82 112.91 114.03 2xbl h THR 32 Ca 0.13 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 66.04 2xbl h THR 32 Cb 0.45 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2xbl h THR 32 CO 0.02 0.45 0.27 0.58 0.37 0.00 0.00 175.52 177.21 2xbl h VAL 33 N 0.76 0.97 -0.64 3.16 2.07 -0.86 0.43 116.25 122.14 2xbl h VAL 33 Ca 0.11 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2xbl h VAL 33 Cb 0.72 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2xbl h VAL 33 CO 0.06 0.10 0.43 -0.09 0.02 0.00 0.00 177.57 178.08 2xbl h ARG 34 N 0.53 0.85 -0.30 1.57 2.43 -1.17 -2.00 114.38 116.29 2xbl h ARG 34 Ca 0.22 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2xbl h ARG 34 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2xbl h ARG 34 CO -0.15 0.56 -0.11 0.87 -1.51 0.00 0.00 179.97 179.63 2xbl h LYS 35 N 0.87 0.50 -0.13 0.20 1.57 -0.56 -0.58 116.57 118.45 2xbl h LYS 35 Ca 0.24 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2xbl h LYS 35 Cb -0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2xbl h LYS 35 CO -0.05 0.61 0.05 0.28 -0.57 0.00 0.00 179.45 179.77 2xbl h VAL 36 N 0.47 1.16 -0.47 0.50 2.07 -0.52 -0.45 116.25 119.00 2xbl h VAL 36 Ca 0.09 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2xbl h VAL 36 Cb 0.47 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2xbl h VAL 36 CO 0.03 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.03 2xbl h ALA 37 N 0.88 0.60 -0.86 1.67 0.00 -1.14 -2.17 119.26 118.25 2xbl h ALA 37 Ca 0.04 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2xbl h ALA 37 Cb 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2xbl h ALA 37 CO -0.00 -0.06 0.56 -0.44 0.00 0.00 0.00 179.25 179.31 2xbl h ASP 38 N 0.53 0.87 -0.47 0.00 3.32 -0.93 0.50 116.42 120.25 2xbl h ASP 38 Ca 0.19 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2xbl h ASP 38 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2xbl h ASP 38 CO -0.10 0.58 0.05 0.00 -1.72 0.00 0.00 179.24 178.04 2xbl h ALA 39 N 1.52 0.62 -0.46 3.45 0.00 -0.64 0.35 119.26 124.10 2xbl h ALA 39 Ca 0.36 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2xbl h ALA 39 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2xbl h ALA 39 CO -0.12 0.37 0.04 0.00 0.00 0.00 0.00 179.25 179.54 2xbl h ILE 41 N 0.64 1.02 -0.77 0.00 2.04 -0.75 -1.42 117.51 118.26 2xbl h ILE 41 Ca 0.13 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2xbl h ILE 41 Cb 0.44 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2xbl h ILE 41 CO 0.02 0.02 0.51 0.00 0.00 0.00 0.00 178.15 178.70 2xbl h ALA 42 N 1.00 0.98 -0.10 1.87 0.00 -0.84 0.16 119.26 122.32 2xbl h ALA 42 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2xbl h ALA 42 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2xbl h ALA 42 CO -0.00 0.40 0.05 1.03 0.00 0.00 0.00 179.25 180.72 2xbl h SER 43 N 1.05 0.14 -0.54 0.00 0.87 -1.03 -2.36 113.55 111.67 2xbl h SER 43 Ca 0.28 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2xbl h SER 43 Cb -0.12 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2xbl h SER 43 CO -0.06 0.24 0.10 0.40 -0.53 0.00 0.00 176.83 176.98 2xbl h ILE 44 N 0.02 1.25 0.00 2.23 2.04 -1.00 0.77 117.51 122.82 2xbl h ILE 44 Ca 0.03 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 2xbl h ILE 44 Cb 0.14 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2xbl h ILE 44 CO -0.00 0.35 -0.11 0.00 0.00 0.00 0.00 178.15 178.39 2xbl h ALA 45 N 1.21 1.72 -0.54 1.87 0.00 -0.75 -1.97 119.26 120.81 2xbl h ALA 45 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2xbl h ALA 45 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2xbl h ALA 45 CO 0.01 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.43 2xbl n GLN 46 N -4.27 2.96 -0.22 0.00 6.02 -0.80 -4.91 117.38 116.17 2xbl n GLN 46 Ca -0.03 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 2xbl n GLN 46 Cb 0.18 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.76 2xbl n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xbl n GLY 47 N 1.11 0.81 0.00 1.08 0.00 -0.74 -5.07 105.19 102.38 2xbl n GLY 47 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.16 0.48 3.32 -0.02 0.00 0.20 -4.97 105.19 102.04 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 -2.43 1.09 -0.20 1.61 -2.85 -1.26 -4.38 119.74 111.33 2xbl s LYS 49 Ca 0.00 -1.07 -0.05 0.00 -1.00 0.00 0.00 55.97 53.85 2xbl s LYS 49 Cb 0.00 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2xbl s LYS 49 CO 0.00 -0.40 0.00 0.08 0.10 0.00 0.00 175.35 175.13 2xbl s VAL 50 N -3.92 4.01 -0.01 1.79 1.01 -0.65 -1.89 120.40 120.73 2xbl s VAL 50 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2xbl s VAL 50 Cb 0.03 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2xbl s VAL 50 CO -0.04 0.43 0.05 -0.76 0.00 0.00 0.00 175.10 174.79 2xbl s LEU 51 N 0.90 3.74 0.00 3.92 1.43 0.73 -0.78 118.68 128.63 2xbl s LEU 51 Ca 0.01 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2xbl s LEU 51 Cb -0.14 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2xbl s LEU 51 CO 0.02 0.28 -0.13 -0.76 0.23 0.00 0.00 176.35 175.99 2xbl s LEU 52 N -1.64 2.06 -0.03 1.79 1.02 -0.61 -0.18 118.68 121.09 2xbl s LEU 52 Ca 0.21 -0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.02 2xbl s LEU 52 Cb -0.12 -0.65 0.01 0.00 0.02 0.00 0.00 46.19 45.45 2xbl s LEU 52 CO 0.12 0.12 0.12 0.00 0.02 0.00 0.00 176.35 176.74 2xbl s ALA 53 N -0.45 -0.29 -0.16 4.21 0.00 -0.27 0.27 121.76 125.07 2xbl s ALA 53 Ca 0.04 0.14 -0.34 0.00 0.00 0.00 0.00 51.96 51.79 2xbl s ALA 53 Cb -0.06 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.11 2xbl s ALA 53 CO -0.00 -0.12 1.17 0.20 0.00 0.00 0.00 175.76 177.02 2xbl s GLY 54 N -0.51 -0.32 0.00 0.00 0.00 -1.26 -1.19 107.32 104.04 2xbl s GLY 54 Ca -0.06 1.50 -0.01 0.00 0.00 0.00 0.00 44.72 46.16 2xbl s GLY 54 CO 0.01 0.50 0.12 -1.31 0.00 0.00 0.00 173.10 172.41 2xbl s ASN 55 N -2.24 5.90 1.81 1.64 0.01 -1.26 -3.10 114.94 117.70 2xbl s ASN 55 Ca 0.09 0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.44 2xbl s ASN 55 Cb -0.01 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.91 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 1.03 3.82 0.36 0.66 0.00 -1.26 -0.72 105.19 109.08 2xbl n GLY 56 Ca -0.12 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.57 2.00 -0.02 0.00 -2.01 -1.52 103.07 102.09 2xbl h GLY 57 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2xbl h GLY 57 CO 0.00 0.09 -0.07 1.76 0.00 0.00 0.00 176.54 178.32 2xbl h SER 58 N 0.39 0.00 -0.38 0.19 0.02 -1.23 -2.25 113.55 110.29 2xbl h SER 58 Ca 0.29 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 2xbl h SER 58 Cb 0.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2xbl h SER 58 CO -0.08 0.07 -0.06 0.00 -1.14 0.00 0.00 176.83 175.62 2xbl h ALA 59 N 1.93 1.03 -0.41 3.77 0.00 -1.22 -1.24 119.26 123.12 2xbl h ALA 59 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2xbl h ALA 59 Cb 0.96 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2xbl h ALA 59 CO 0.01 0.59 0.21 0.00 0.00 0.00 0.00 179.25 180.06 2xbl h ALA 60 N 1.20 0.53 -0.49 0.00 0.00 -1.20 -2.63 119.26 116.66 2xbl h ALA 60 Ca 0.13 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2xbl h ALA 60 Cb 0.53 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2xbl h ALA 60 CO 0.03 0.08 0.12 -0.44 0.00 0.00 0.00 179.25 179.04 2xbl h ASP 61 N 0.53 0.06 -0.19 0.00 3.32 -1.20 0.20 116.42 119.14 2xbl h ASP 61 Ca 0.14 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.31 2xbl h ASP 61 Cb 0.10 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2xbl h ASP 61 CO -0.02 0.06 -0.04 0.00 -1.72 0.00 0.00 179.24 177.52 2xbl h ALA 62 N 1.37 0.12 -0.00 3.45 0.00 -0.94 -0.81 119.26 122.44 2xbl h ALA 62 Ca 0.24 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2xbl h ALA 62 Cb 0.31 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2xbl h ALA 62 CO -0.30 -0.48 -0.77 -0.56 0.00 0.00 0.00 179.25 177.15 2xbl h GLN 63 N 0.00 0.05 -0.08 0.00 3.07 -1.17 -1.87 115.11 115.11 2xbl h GLN 63 Ca 0.09 -0.04 0.03 0.00 0.09 0.00 0.00 58.65 58.81 2xbl h GLN 63 Cb 0.13 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.68 2xbl h GLN 63 CO -0.19 0.79 -0.08 1.25 0.09 0.00 0.00 178.83 180.69 2xbl h HIS 64 N 0.03 -0.20 -0.31 0.06 2.76 -0.09 0.99 115.15 118.39 2xbl h HIS 64 Ca -0.01 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 2xbl h HIS 64 Cb 1.36 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.42 2xbl h HIS 64 CO 0.01 -0.13 -0.47 0.82 -1.30 0.00 0.00 177.93 176.85 2xbl h ILE 65 N -0.11 1.28 -0.91 6.26 1.08 -1.17 -2.51 117.51 121.44 2xbl h ILE 65 Ca 0.06 -1.66 0.09 0.00 -0.39 0.00 0.00 64.86 62.97 2xbl h ILE 65 Cb 0.19 1.57 -0.07 0.00 -3.07 0.00 0.00 36.82 35.44 2xbl h ILE 65 CO -0.14 0.54 0.55 0.00 -0.69 0.00 0.00 178.15 178.41 2xbl h ALA 66 N 0.70 1.30 -0.68 1.87 0.00 -1.07 -0.58 119.26 120.81 2xbl h ALA 66 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2xbl h ALA 66 Cb 1.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2xbl h ALA 66 CO 0.11 0.21 0.34 0.78 0.00 0.00 0.00 179.25 180.69 2xbl h GLY 67 N 0.93 1.03 2.00 0.00 0.00 -0.52 0.35 103.07 106.87 2xbl h GLY 67 Ca 0.43 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2xbl h GLY 67 CO -0.23 0.46 -0.28 0.83 0.00 0.00 0.00 176.54 177.32 2xbl h GLU 68 N 0.96 0.00 -0.03 4.80 5.08 -0.83 -0.25 114.58 124.32 2xbl h GLU 68 Ca 0.24 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2xbl h GLU 68 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2xbl h GLU 68 CO -0.03 0.28 -0.16 0.74 -1.00 0.00 0.00 179.01 178.83 2xbl h PHE 69 N 0.00 0.22 0.19 4.33 -1.00 -0.62 -3.30 116.94 116.76 2xbl h PHE 69 Ca -0.00 -0.10 -0.32 0.00 2.81 0.00 0.00 57.97 60.36 2xbl h PHE 69 Cb 1.12 -0.03 0.03 0.00 3.61 0.00 0.00 35.95 40.68 2xbl h PHE 69 CO 0.00 0.82 -1.37 0.28 -1.61 0.00 0.00 178.31 176.43 2xbl h VAL 70 N -0.44 1.31 0.00 -0.55 2.07 -0.92 0.14 116.25 117.86 2xbl h VAL 70 Ca -0.01 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.85 2xbl h VAL 70 Cb 0.84 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 2xbl h VAL 70 CO 0.03 0.80 0.00 -0.24 0.02 0.00 0.00 177.57 178.18 2xbl n SER 71 N -3.72 0.00 -3.99 0.57 2.88 -0.11 -4.08 113.62 105.17 2xbl n SER 71 Ca -0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.30 2xbl n SER 71 Cb 1.05 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.45 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 0.67 1.37 0.00 -1.46 1.70 -1.24 -4.53 118.95 115.46 2xbl s ARG 72 Ca 0.00 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 2xbl s ARG 72 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 2xbl s ARG 72 CO 0.00 -0.54 0.00 0.34 -1.08 0.00 0.00 175.30 174.02 2xbl n PHE 73 N -0.31 0.00 0.13 5.89 7.35 -1.24 -4.55 117.46 124.72 2xbl n PHE 73 Ca -0.04 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.74 2xbl n PHE 73 Cb 0.63 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.49 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 0.50 0.68 -2.79 3.13 0.00 -1.95 -3.48 119.26 115.35 2xbl h ALA 74 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2xbl h ALA 74 Cb 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2xbl h ALA 74 CO 0.00 0.20 0.31 -0.59 0.00 0.00 0.00 179.25 179.17 2xbl s PHE 75 N -3.22 -0.25 0.10 0.00 -0.12 -1.26 -5.14 117.98 108.08 2xbl s PHE 75 Ca 0.02 -0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 56.50 2xbl s PHE 75 Cb 0.08 0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 43.06 2xbl s PHE 75 CO 0.76 -1.01 1.20 0.34 -0.05 0.00 0.00 175.22 176.45 2xbl s ASP 76 N -2.86 7.08 0.12 1.98 2.15 -1.26 -4.84 116.67 119.04 2xbl s ASP 76 Ca 0.09 2.07 -0.25 0.00 0.43 0.00 0.00 52.55 54.89 2xbl s ASP 76 Cb -0.04 -2.59 0.08 0.00 -0.30 0.00 0.00 42.92 40.08 2xbl s ASP 76 CO 0.01 -0.44 1.09 0.00 -0.17 0.00 0.00 175.17 175.66 2xbl s ARG 77 N 0.71 1.02 0.86 4.34 1.04 -1.26 -5.13 118.95 120.53 2xbl s ARG 77 Ca 0.57 -0.62 -0.11 0.00 -1.04 0.00 0.00 55.73 54.53 2xbl s ARG 77 Cb -0.30 0.31 0.11 0.00 -2.04 0.00 0.00 34.95 33.03 2xbl s ARG 77 CO 0.31 -0.47 1.10 -2.14 -0.04 0.00 0.00 175.30 174.05 2xbl s PRO 78 N -2.53 1.53 0.48 3.89 0.02 -1.26 -4.91 135.00 132.23 2xbl s PRO 78 Ca 0.18 1.11 -0.22 0.00 0.02 0.00 0.00 61.00 62.10 2xbl s PRO 78 Cb -0.01 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 2xbl s PRO 78 CO 0.02 -2.13 1.12 0.20 -0.33 0.00 0.00 177.00 175.88 2xbl s GLY 79 N -3.22 2.70 0.14 0.52 0.00 -1.26 -4.98 107.32 101.23 2xbl s GLY 79 Ca 0.63 0.83 0.03 0.00 0.00 0.00 0.00 44.72 46.22 2xbl s GLY 79 CO 0.57 1.24 0.22 1.08 0.00 0.00 0.00 173.10 176.21 2xbl s LEU 80 N -3.28 4.14 -0.87 0.66 1.43 0.04 -4.97 118.68 115.83 2xbl s LEU 80 Ca 0.66 0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 53.60 2xbl s LEU 80 Cb -0.25 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.30 2xbl s LEU 80 CO 0.30 0.07 1.29 -2.16 0.23 0.00 0.00 176.35 176.08 2xbl s PRO 81 N -3.11 3.40 0.01 1.29 0.04 -1.26 -3.98 135.00 131.39 2xbl s PRO 81 Ca 0.33 -0.89 0.03 0.00 0.04 0.00 0.00 61.00 60.52 2xbl s PRO 81 Cb -0.11 -4.78 -0.01 0.00 0.04 0.00 0.00 34.50 29.64 2xbl s PRO 81 CO 0.27 -2.08 -0.11 0.00 0.04 0.00 0.00 177.00 175.12 2xbl s ALA 82 N 4.80 0.87 -0.07 8.56 0.00 -1.26 -1.64 121.76 133.03 2xbl s ALA 82 Ca 0.38 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 2xbl s ALA 82 Cb -0.05 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2xbl s ALA 82 CO 0.01 0.18 -0.00 0.08 0.00 0.00 0.00 175.76 176.03 2xbl s VAL 83 N -0.46 0.38 0.08 0.00 1.01 0.04 -4.87 120.40 116.58 2xbl s VAL 83 Ca 0.02 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2xbl s VAL 83 Cb -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2xbl s VAL 83 CO 0.00 0.25 0.95 0.00 0.00 0.00 0.00 175.10 176.31 2xbl s ALA 84 N 1.88 3.23 -0.47 5.51 0.00 -1.26 -1.58 121.76 129.07 2xbl s ALA 84 Ca 0.03 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.62 2xbl s ALA 84 Cb -0.12 -3.28 0.47 0.00 0.00 0.00 0.00 23.12 20.19 2xbl s ALA 84 CO -0.05 -0.06 1.34 1.28 0.00 0.00 0.00 175.76 178.26 2xbl n LEU 85 N 3.02 4.24 -0.06 0.00 4.77 0.14 -4.11 117.00 125.01 2xbl n LEU 85 Ca 0.03 -2.18 0.08 0.00 -0.03 0.00 0.00 56.01 53.91 2xbl n LEU 85 Cb 0.50 -0.64 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2xbl n LEU 85 CO 0.51 0.57 0.55 0.35 -1.33 0.00 0.00 177.39 178.05 2xbl n THR 86 N 0.15 1.70 -0.01 -5.08 -2.24 -1.26 -4.82 114.28 102.71 2xbl n THR 86 Ca 0.22 -2.01 -0.01 0.00 -2.27 0.00 0.00 64.05 59.98 2xbl n THR 86 Cb 0.93 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.25 0.16 -2.85 4.28 -2.24 -1.26 -4.94 114.28 106.18 2xbl n THR 87 Ca 0.13 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 2xbl n THR 87 Cb 0.57 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 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 -3.67 6.35 0.47 3.42 -1.08 -1.26 -4.90 116.67 116.00 2xbl s ASP 88 Ca -0.02 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 2xbl s ASP 88 Cb 0.01 -2.43 0.85 0.00 -1.46 0.00 0.00 42.92 39.89 2xbl s ASP 88 CO 0.08 -1.18 1.79 0.71 0.52 0.00 0.00 175.17 177.09 2xbl h THR 89 N 6.02 0.00 -0.23 1.71 1.35 -1.98 0.13 112.91 119.91 2xbl h THR 89 Ca -0.26 -0.73 -0.07 0.00 -0.55 0.00 0.00 66.41 64.80 2xbl h THR 89 Cb 1.08 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 2xbl h THR 89 CO 1.07 0.00 -0.14 0.28 -0.25 0.00 0.00 175.52 176.48 2xbl h SER 90 N 0.00 0.52 -0.02 5.36 0.02 -1.98 -1.59 113.55 115.85 2xbl h SER 90 Ca 0.00 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2xbl h SER 90 Cb 0.74 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 2xbl h SER 90 CO 0.00 0.83 0.01 0.40 -1.14 0.00 0.00 176.83 176.94 2xbl h ILE 91 N 0.20 1.07 -0.35 3.27 2.04 -1.86 -0.04 117.51 121.83 2xbl h ILE 91 Ca 0.05 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2xbl h ILE 91 Cb 0.65 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2xbl h ILE 91 CO 0.04 0.05 0.21 -0.07 0.00 0.00 0.00 178.15 178.38 2xbl h LEU 92 N -0.05 0.43 -0.33 1.44 3.38 -1.01 -0.10 115.31 119.07 2xbl h LEU 92 Ca 0.01 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2xbl h LEU 92 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2xbl h LEU 92 CO -0.00 0.37 -0.84 0.71 0.09 0.00 0.00 178.44 178.77 2xbl h THR 93 N 0.45 1.47 -0.17 0.22 1.35 -1.30 -0.59 112.91 114.35 2xbl h THR 93 Ca 0.13 -2.52 -0.01 0.00 -0.55 0.00 0.00 66.41 63.46 2xbl h THR 93 Cb 0.03 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2xbl h THR 93 CO -0.02 0.74 0.08 0.00 -0.25 0.00 0.00 175.52 176.06 2xbl h ALA 94 N 0.99 0.22 -0.25 6.62 0.00 -0.83 -0.91 119.26 125.11 2xbl h ALA 94 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2xbl h ALA 94 Cb 1.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2xbl h ALA 94 CO 0.13 -0.20 0.04 0.82 0.00 0.00 0.00 179.25 180.03 2xbl h ILE 95 N 0.14 1.23 -0.58 0.00 2.04 -0.95 0.39 117.51 119.79 2xbl h ILE 95 Ca 0.06 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.22 2xbl h ILE 95 Cb 0.14 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 2xbl h ILE 95 CO -0.01 0.25 0.21 1.23 0.00 0.00 0.00 178.15 179.83 2xbl h GLY 96 N 0.22 0.79 1.05 5.37 0.00 -1.10 0.14 103.07 109.54 2xbl h GLY 96 Ca 0.07 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 2xbl h GLY 96 CO 0.01 -0.01 -0.76 -0.57 0.00 0.00 0.00 176.54 175.20 2xbl h ASN 97 N 0.39 0.80 0.36 0.19 -1.24 -0.94 -2.53 115.58 112.61 2xbl h ASN 97 Ca 0.29 -0.68 -0.32 0.00 0.71 0.00 0.00 56.30 56.29 2xbl h ASN 97 Cb 0.34 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2xbl h ASN 97 CO -0.29 1.36 -1.59 0.44 -1.29 0.00 0.00 177.43 176.06 2xbl h ASP 98 N 0.31 0.50 0.00 1.15 3.32 -0.07 -3.41 116.42 118.23 2xbl h ASP 98 Ca -0.07 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.28 2xbl h ASP 98 Cb 1.41 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2xbl h ASP 98 CO 0.15 1.58 -0.26 -1.22 -1.72 0.00 0.00 179.24 177.77 2xbl n TYR 99 N -3.52 0.00 0.00 4.55 4.01 0.38 -5.06 117.16 117.52 2xbl n TYR 99 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2xbl n TYR 99 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 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 1.16 2.28 0.26 2.72 0.00 -0.61 -4.68 105.19 106.32 2xbl n GLY 100 Ca 0.00 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 0.00 1.61 3.20 -1.82 -2.19 116.97 117.77 2xbl h TYR 101 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2xbl h TYR 101 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2xbl h TYR 101 CO 0.00 0.03 -0.07 1.49 -1.64 0.00 0.00 178.16 177.97 2xbl h GLU 102 N 0.00 0.00 -0.46 1.82 4.81 -1.94 -2.02 114.58 116.80 2xbl h GLU 102 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2xbl h GLU 102 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2xbl h GLU 102 CO 0.00 0.07 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 2xbl n LYS 103 N -3.68 2.27 -0.26 1.92 5.02 -0.82 -4.16 118.16 118.45 2xbl n LYS 103 Ca -0.02 -1.95 0.06 0.00 -2.02 0.00 0.00 58.31 54.38 2xbl n LYS 103 Cb 0.17 -1.45 0.20 0.00 -0.02 0.00 0.00 35.03 33.93 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 3.43 0.21 0.00 -0.35 5.85 -1.47 -2.24 115.31 120.74 2xbl h LEU 104 Ca 0.00 0.13 -0.34 0.00 0.84 0.00 0.00 57.88 58.51 2xbl h LEU 104 Cb 0.77 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2xbl h LEU 104 CO 0.00 0.05 -2.27 0.49 -0.34 0.00 0.00 178.44 176.37 2xbl n PHE 105 N -5.05 0.00 -0.35 1.25 3.72 -1.26 -4.28 117.46 111.48 2xbl n PHE 105 Ca 0.15 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.61 2xbl n PHE 105 Cb 0.46 -0.86 0.22 0.00 -0.94 0.00 0.00 39.48 38.36 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 0.00 0.95 -0.48 4.37 4.64 -1.76 -0.47 113.55 120.81 2xbl h SER 106 Ca -0.50 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 2xbl h SER 106 Cb 1.81 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 2xbl h SER 106 CO -0.07 0.56 0.00 -0.09 -0.87 0.00 0.00 176.83 176.36 2xbl h ARG 107 N 1.05 0.90 -0.31 4.77 2.43 -1.62 -0.41 114.38 121.19 2xbl h ARG 107 Ca 0.46 -0.26 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 2xbl h ARG 107 Cb 0.35 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2xbl h ARG 107 CO -0.21 0.90 -0.33 1.96 -1.51 0.00 0.00 179.97 180.78 2xbl h GLN 108 N 0.84 0.68 -0.38 0.20 4.20 -1.49 -1.59 115.11 117.56 2xbl h GLN 108 Ca 0.16 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2xbl h GLN 108 Cb 0.49 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2xbl h GLN 108 CO 0.02 0.92 0.25 0.28 -0.67 0.00 0.00 178.83 179.62 2xbl h VAL 109 N 0.58 1.11 -0.54 -0.54 2.07 -0.79 -0.55 116.25 117.58 2xbl h VAL 109 Ca 0.06 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2xbl h VAL 109 Cb 0.84 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2xbl h VAL 109 CO 0.07 0.11 0.26 -0.61 0.02 0.00 0.00 177.57 177.41 2xbl h GLN 110 N 0.51 0.48 -0.20 1.57 -0.00 -0.85 0.18 115.11 116.79 2xbl h GLN 110 Ca 0.14 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.65 58.59 2xbl h GLN 110 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.34 2xbl h GLN 110 CO -0.03 0.31 -0.55 0.00 0.00 0.00 0.00 178.83 178.56 2xbl h ALA 111 N 1.31 0.34 0.00 3.38 0.00 -1.00 -3.38 119.26 119.91 2xbl h ALA 111 Ca 0.25 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 2xbl h ALA 111 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2xbl h ALA 111 CO -0.19 0.55 -1.83 1.28 0.00 0.00 0.00 179.25 179.06 2xbl n LEU 112 N -4.10 0.00 -4.76 0.00 4.77 -0.24 -5.02 117.00 107.65 2xbl n LEU 112 Ca -0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 2xbl n LEU 112 Cb 0.63 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 2xbl n LEU 112 CO 0.49 0.20 0.86 -0.83 -1.33 0.00 0.00 177.39 176.77 2xbl s GLY 113 N -4.27 3.00 0.17 -0.72 0.00 0.62 -5.06 107.32 101.07 2xbl s GLY 113 Ca -0.06 1.01 0.10 0.00 0.00 0.00 0.00 44.72 45.77 2xbl s GLY 113 CO 0.58 1.61 -0.22 -1.31 0.00 0.00 0.00 173.10 173.76 2xbl s ASN 114 N -0.83 3.07 0.19 1.64 0.01 -1.26 -4.91 114.94 112.84 2xbl s ASN 114 Ca 0.49 -0.85 -0.32 0.00 -0.71 0.00 0.00 52.86 51.46 2xbl s ASN 114 Cb -0.34 -0.21 -0.15 0.00 0.41 0.00 0.00 41.25 40.97 2xbl s ASN 114 CO 0.44 0.06 1.29 1.21 -1.51 0.00 0.00 177.10 178.58 2xbl n GLU 115 N 0.36 1.54 0.00 -0.60 2.13 -1.20 -1.10 120.64 121.76 2xbl n GLU 115 Ca -0.13 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.23 2xbl n GLU 115 Cb 0.56 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.14 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 2.17 1.82 3.65 8.31 0.00 -0.21 -4.96 105.19 115.96 2xbl n GLY 116 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.59 2.42 -0.07 1.61 1.01 -0.26 -4.64 116.67 114.15 2xbl s ASP 117 Ca 0.00 1.25 0.05 0.00 0.71 0.00 0.00 52.55 54.55 2xbl s ASP 117 Cb 0.00 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 41.99 2xbl s ASP 117 CO 0.00 -3.26 -0.22 -0.69 0.21 0.00 0.00 175.17 171.21 2xbl s VAL 118 N -2.90 2.33 -0.23 -1.27 1.01 -0.79 -1.24 120.40 117.32 2xbl s VAL 118 Ca 0.66 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2xbl s VAL 118 Cb -0.19 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2xbl s VAL 118 CO 0.58 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 176.04 2xbl s LEU 119 N -0.10 3.18 -0.29 3.92 2.96 0.22 -0.19 118.68 128.39 2xbl s LEU 119 Ca -0.05 -0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 2xbl s LEU 119 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2xbl s LEU 119 CO 0.04 -0.01 0.23 -0.63 -1.32 0.00 0.00 176.35 174.67 2xbl s ILE 120 N 1.42 5.28 -0.11 6.68 1.01 0.75 -0.59 121.20 135.65 2xbl s ILE 120 Ca 0.05 0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.90 2xbl s ILE 120 Cb -0.15 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 2xbl s ILE 120 CO 0.01 0.18 -0.23 -0.83 0.00 0.00 0.00 174.94 174.07 2xbl s GLY 121 N 1.74 1.35 -0.13 6.18 0.00 0.04 -1.11 107.32 115.38 2xbl s GLY 121 Ca 0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 2xbl s GLY 121 CO 0.11 -0.30 0.03 -0.19 0.00 0.00 0.00 173.10 172.75 2xbl s TYR 122 N 0.38 3.22 -0.28 1.90 2.02 -0.34 -1.22 117.35 123.04 2xbl s TYR 122 Ca -0.17 0.12 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 2xbl s TYR 122 Cb -0.18 -1.92 0.13 0.00 -0.40 0.00 0.00 41.96 39.59 2xbl s TYR 122 CO 0.08 0.33 0.59 0.45 -1.57 0.00 0.00 175.55 175.43 2xbl s SER 123 N -0.33 -0.94 0.14 2.29 0.15 -0.52 -4.40 113.70 110.08 2xbl s SER 123 Ca 0.08 1.35 -0.07 0.00 0.70 0.00 0.00 55.95 58.01 2xbl s SER 123 Cb -0.12 2.06 -0.06 0.00 -1.71 0.00 0.00 66.02 66.19 2xbl s SER 123 CO 0.02 -0.23 1.36 0.71 1.20 0.00 0.00 173.24 176.30 2xbl h THR 124 N 6.04 1.34 0.00 6.45 1.35 -1.93 -3.03 112.91 123.13 2xbl h THR 124 Ca -0.18 -2.11 -0.08 0.00 -0.55 0.00 0.00 66.41 63.49 2xbl h THR 124 Cb 1.11 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 2xbl h THR 124 CO 0.12 0.65 -0.40 0.77 -0.25 0.00 0.00 175.52 176.42 2xbl h SER 125 N 0.38 0.00 -0.03 5.36 4.64 -1.96 -3.31 113.55 118.62 2xbl h SER 125 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2xbl h SER 125 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2xbl h SER 125 CO 0.15 0.40 -0.01 0.61 -0.87 0.00 0.00 176.83 177.10 2xbl n GLY 126 N 0.51 0.38 0.00 -0.77 0.00 -1.14 -4.89 105.19 99.27 2xbl n GLY 126 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.65 6.39 -1.68 1.61 4.76 -1.26 -4.46 118.16 121.87 2xbl n LYS 127 Ca -0.01 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 2xbl n LYS 127 Cb 0.19 -0.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.81 2xbl n LYS 127 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2xbl s SER 128 N -0.95 6.19 0.37 4.39 0.01 -1.26 -4.86 113.70 117.60 2xbl s SER 128 Ca 0.00 2.41 0.07 0.00 1.31 0.00 0.00 55.95 59.74 2xbl s SER 128 Cb 0.00 -2.53 0.78 0.00 0.21 0.00 0.00 66.02 64.49 2xbl s SER 128 CO 0.01 -1.30 1.96 -0.65 0.41 0.00 0.00 173.24 173.67 2xbl h PRO 129 N 11.75 0.68 0.00 12.44 0.11 -1.96 -1.41 132.00 153.62 2xbl h PRO 129 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2xbl h PRO 129 Cb 1.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2xbl h PRO 129 CO 0.95 0.45 -0.15 -2.95 -0.21 0.00 0.00 178.00 176.09 2xbl h ASN 130 N 0.70 0.00 0.16 -2.05 7.08 -1.84 0.12 115.58 119.75 2xbl h ASN 130 Ca 0.31 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.32 2xbl h ASN 130 Cb 0.30 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.56 2xbl h ASN 130 CO -0.10 0.15 -0.91 0.40 -2.08 0.00 0.00 177.43 174.89 2xbl h ILE 131 N 0.00 1.48 -0.87 6.14 1.08 -1.59 -2.19 117.51 121.56 2xbl h ILE 131 Ca -0.00 -2.55 -0.01 0.00 -0.39 0.00 0.00 64.86 61.90 2xbl h ILE 131 Cb 0.62 3.17 -0.04 0.00 -3.07 0.00 0.00 36.82 37.51 2xbl h ILE 131 CO 0.02 0.73 0.49 -0.07 -0.69 0.00 0.00 178.15 178.63 2xbl h LEU 132 N -0.29 1.07 -0.75 1.44 3.38 -1.17 -1.83 115.31 117.17 2xbl h LEU 132 Ca -0.16 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2xbl h LEU 132 Cb 1.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2xbl h LEU 132 CO 0.17 0.85 0.20 0.00 0.09 0.00 0.00 178.44 179.75 2xbl h ALA 133 N 1.27 0.98 -0.85 1.53 0.00 -1.03 -2.36 119.26 118.80 2xbl h ALA 133 Ca 0.31 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2xbl h ALA 133 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 2xbl h ALA 133 CO -0.05 0.67 0.56 0.00 0.00 0.00 0.00 179.25 180.43 2xbl h ALA 134 N 1.12 1.09 -0.68 0.00 0.00 -0.85 -1.76 119.26 118.18 2xbl h ALA 134 Ca 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2xbl h ALA 134 Cb 0.35 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2xbl h ALA 134 CO -0.00 0.46 0.29 0.74 0.00 0.00 0.00 179.25 180.73 2xbl h PHE 135 N 1.13 1.02 -0.47 0.00 0.04 -1.05 -0.15 116.94 117.46 2xbl h PHE 135 Ca 0.32 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 2xbl h PHE 135 Cb -0.09 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.73 2xbl h PHE 135 CO -0.02 0.79 0.16 0.00 -0.60 0.00 0.00 178.31 178.64 2xbl h ARG 136 N 0.96 0.72 -0.38 1.51 3.08 -1.04 -0.42 114.38 118.81 2xbl h ARG 136 Ca 0.23 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2xbl h ARG 136 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2xbl h ARG 136 CO -0.02 0.68 0.14 1.49 -1.07 0.00 0.00 179.97 181.19 2xbl h GLU 137 N 0.63 0.57 -0.19 0.04 4.57 -1.20 -1.85 114.58 117.14 2xbl h GLU 137 Ca 0.15 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2xbl h GLU 137 Cb 0.24 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2xbl h GLU 137 CO -0.01 0.56 0.09 0.00 -1.18 0.00 0.00 179.01 178.47 2xbl h ALA 138 N 0.99 0.22 -0.78 2.92 0.00 -0.77 -1.77 119.26 120.06 2xbl h ALA 138 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2xbl h ALA 138 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2xbl h ALA 138 CO -0.01 -0.33 0.43 -0.22 0.00 0.00 0.00 179.25 179.12 2xbl h LYS 139 N 0.19 1.09 0.00 0.00 1.63 -1.03 -0.62 116.57 117.84 2xbl h LYS 139 Ca 0.08 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2xbl h LYS 139 Cb 0.02 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 2xbl h LYS 139 CO -0.06 0.80 -0.03 0.00 -3.45 0.00 0.00 179.45 176.72 2xbl h ALA 140 N 1.23 1.76 -0.10 5.00 0.00 -0.94 -1.04 119.26 125.17 2xbl h ALA 140 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2xbl h ALA 140 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2xbl h ALA 140 CO -0.05 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2xbl n LYS 141 N -4.23 1.75 -1.83 0.00 5.02 -0.67 -4.92 118.16 113.28 2xbl n LYS 141 Ca -0.03 -1.11 -0.01 0.00 -2.02 0.00 0.00 58.31 55.14 2xbl n LYS 141 Cb 0.11 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2xbl n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xbl n GLY 142 N 1.17 0.36 3.90 0.72 0.00 -0.39 -3.26 105.19 107.69 2xbl n GLY 142 Ca 0.17 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.67 3.55 0.17 1.61 -1.94 -0.33 -1.05 119.30 117.64 2xbl s MET 143 Ca 0.00 -0.22 -0.30 0.00 -1.71 0.00 0.00 55.69 53.46 2xbl s MET 143 Cb 0.00 -2.96 -0.08 0.00 2.01 0.00 0.00 34.83 33.80 2xbl s MET 143 CO 0.00 0.55 1.14 0.99 -0.01 0.00 0.00 175.02 177.69 2xbl s THR 144 N -1.54 3.78 -0.31 2.05 2.01 -0.37 -4.19 115.64 117.08 2xbl s THR 144 Ca 0.36 1.50 -0.06 0.00 0.31 0.00 0.00 61.69 63.80 2xbl s THR 144 Cb -0.13 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2xbl s THR 144 CO 0.24 0.24 0.08 0.00 -0.69 0.00 0.00 174.62 174.50 2xbl s VAL 146 N 1.46 3.72 -0.06 0.00 1.01 0.24 -0.51 120.40 126.26 2xbl s VAL 146 Ca 0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2xbl s VAL 146 Cb -0.18 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2xbl s VAL 146 CO 0.02 0.45 -0.01 -0.83 0.00 0.00 0.00 175.10 174.74 2xbl s GLY 147 N 0.89 1.84 -0.17 4.51 0.00 0.17 -0.78 107.32 113.78 2xbl s GLY 147 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2xbl s GLY 147 CO 0.01 -0.66 -0.16 -1.36 0.00 0.00 0.00 173.10 170.94 2xbl s PHE 148 N -0.94 2.79 0.00 1.90 2.99 -0.36 -0.49 117.98 123.88 2xbl s PHE 148 Ca 0.15 -1.23 -0.00 0.00 0.00 0.00 0.00 56.93 55.86 2xbl s PHE 148 Cb -0.11 -1.91 0.00 0.00 0.00 0.00 0.00 43.02 40.99 2xbl s PHE 148 CO 0.05 -0.59 0.00 -2.37 -0.00 0.00 0.00 175.22 172.31 2xbl n THR 149 N 4.30 0.00 -0.49 0.64 5.66 0.14 -1.44 114.28 123.10 2xbl n THR 149 Ca -0.20 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2xbl n THR 149 Cb 0.51 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 1.88 1.28 1.09 0.00 -1.25 -1.30 105.19 106.89 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 4.38 -0.25 1.61 0.23 -0.53 -3.80 115.26 116.91 2xbl n ASN 151 Ca 0.00 -2.64 0.13 0.00 -0.53 0.00 0.00 54.58 51.55 2xbl n ASN 151 Cb 0.00 -0.53 0.44 0.00 -2.08 0.00 0.00 39.78 37.61 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 0.44 0.91 0.00 -3.83 1.74 -1.26 -4.98 116.66 109.67 2xbl n ARG 152 Ca 0.23 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 2xbl n ARG 152 Cb 0.87 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 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 1.31 2.37 1.03 -0.13 0.00 -1.26 -5.02 105.19 103.48 2xbl n GLY 153 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.83 0.30 -0.02 0.00 -1.26 -4.58 105.19 97.80 2xbl n GLY 154 Ca 0.00 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 0.00 0.00 1.61 5.08 -1.96 -2.55 114.58 116.76 2xbl h GLU 155 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.03 -0.01 0.52 -1.00 0.00 0.00 179.01 178.56 2xbl h MET 156 N 0.00 0.00 -0.79 2.33 2.86 -1.81 -1.22 114.93 116.31 2xbl h MET 156 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2xbl h MET 156 Cb 0.20 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2xbl h MET 156 CO 0.00 0.01 0.40 0.00 1.06 0.00 0.00 176.91 178.38 2xbl h ARG 157 N 0.00 1.12 0.07 1.72 3.08 -1.77 -1.12 114.38 117.48 2xbl h ARG 157 Ca -0.00 -0.15 -0.28 0.00 0.07 0.00 0.00 59.98 59.62 2xbl h ARG 157 Cb 0.20 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2xbl h ARG 157 CO 0.00 0.85 -1.44 0.93 -1.07 0.00 0.00 179.97 179.24 2xbl h GLU 158 N 1.10 0.15 0.00 0.04 3.07 -1.53 -3.36 114.58 114.05 2xbl h GLU 158 Ca 0.27 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 2xbl h GLU 158 Cb 0.09 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2xbl h GLU 158 CO -0.04 0.98 -0.54 -0.07 -1.40 0.00 0.00 179.01 177.94 2xbl h LEU 159 N 0.04 0.00 -9.53 1.33 3.38 -1.19 -3.46 115.31 105.88 2xbl h LEU 159 Ca -0.20 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.12 2xbl h LEU 159 Cb 1.96 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.62 2xbl h LEU 159 CO 0.14 0.25 -0.49 0.00 0.09 0.00 0.00 178.44 178.42 2xbl h ASP 161 N 5.39 0.67 -3.68 0.00 3.32 -1.12 -3.44 116.42 117.55 2xbl h ASP 161 Ca -0.51 -0.33 -0.34 0.00 0.02 0.00 0.00 57.03 55.86 2xbl h ASP 161 Cb 1.21 -0.19 -0.31 0.00 0.22 0.00 0.00 39.33 40.26 2xbl h ASP 161 CO 0.62 1.05 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.67 2xbl s LEU 162 N -8.47 1.62 -0.09 1.55 1.43 -1.03 -5.04 118.68 108.65 2xbl s LEU 162 Ca -0.08 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2xbl s LEU 162 Cb 0.12 -0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.09 2xbl s LEU 162 CO 0.84 -0.01 -0.05 -0.22 0.23 0.00 0.00 176.35 177.14 2xbl s LEU 163 N 0.44 1.03 -0.29 1.79 2.96 -1.26 -0.66 118.68 122.68 2xbl s LEU 163 Ca -0.05 -0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 2xbl s LEU 163 Cb -0.08 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 2xbl s LEU 163 CO -0.01 -0.13 0.26 -0.76 -1.32 0.00 0.00 176.35 174.40 2xbl s LEU 164 N 1.63 4.14 -0.38 -0.68 1.43 0.36 -4.97 118.68 120.21 2xbl s LEU 164 Ca 0.02 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2xbl s LEU 164 Cb -0.13 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 43.94 2xbl s LEU 164 CO -0.05 -0.14 0.16 -1.61 0.23 0.00 0.00 176.35 174.94 2xbl s GLU 165 N 1.86 2.36 0.24 1.70 2.02 -1.26 -0.68 118.70 124.95 2xbl s GLU 165 Ca 0.09 -1.50 -0.30 0.00 0.02 0.00 0.00 54.97 53.29 2xbl s GLU 165 Cb -0.16 -3.54 -0.09 0.00 0.10 0.00 0.00 34.13 30.44 2xbl s GLU 165 CO 0.11 -0.88 1.27 0.08 0.02 0.00 0.00 175.26 175.85 2xbl s VAL 166 N 1.29 3.17 -1.37 2.63 1.01 -0.42 -4.84 120.40 121.86 2xbl s VAL 166 Ca 0.02 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 2xbl s VAL 166 Cb -0.22 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2xbl s VAL 166 CO -0.01 0.19 2.52 -0.81 0.00 0.00 0.00 175.10 176.99 2xbl n PRO 167 N 1.95 2.98 -3.60 2.72 -0.04 -1.26 -2.31 135.00 135.45 2xbl n PRO 167 Ca 0.03 -2.14 -0.15 0.00 -0.04 0.00 0.00 63.50 61.21 2xbl n PRO 167 Cb 0.43 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 2xbl n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2xbl s SER 168 N 2.94 -0.44 0.00 3.54 0.15 -1.26 -4.87 113.70 113.75 2xbl s SER 168 Ca 0.57 0.28 0.18 0.00 0.70 0.00 0.00 55.95 57.68 2xbl s SER 168 Cb 0.15 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2xbl s SER 168 CO -0.05 -0.65 0.95 0.00 1.20 0.00 0.00 173.24 174.69 2xbl n ALA 169 N 0.67 3.08 -2.57 5.45 0.00 -1.26 -1.45 120.51 124.43 2xbl n ALA 169 Ca -0.19 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.27 2xbl n ALA 169 Cb 0.59 -0.62 -0.09 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.92 6.24 0.20 0.00 2.15 -1.26 -4.98 116.67 117.11 2xbl s ASP 170 Ca 0.16 0.05 -0.20 0.00 0.43 0.00 0.00 52.55 52.99 2xbl s ASP 170 Cb 0.14 -2.22 0.16 0.00 -0.30 0.00 0.00 42.92 40.70 2xbl s ASP 170 CO 0.39 -0.30 1.56 0.74 -0.17 0.00 0.00 175.17 177.40 2xbl h THR 171 N 5.48 0.06 -0.67 1.71 2.02 -1.92 -0.03 112.91 119.56 2xbl h THR 171 Ca -0.30 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.91 2xbl h THR 171 Cb 1.15 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2xbl h THR 171 CO 0.69 0.00 0.41 -0.65 0.37 0.00 0.00 175.52 176.34 2xbl h PRO 172 N -0.08 0.78 -0.57 6.66 0.11 -1.99 0.34 132.00 137.25 2xbl h PRO 172 Ca 0.28 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2xbl h PRO 172 Cb 0.57 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2xbl h PRO 172 CO -0.86 0.52 -0.01 0.87 -0.21 0.00 0.00 178.00 178.30 2xbl h LYS 173 N 0.80 0.99 -0.47 1.05 1.79 -1.63 -1.62 116.57 117.48 2xbl h LYS 173 Ca 0.27 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2xbl h LYS 173 Cb 0.04 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2xbl h LYS 173 CO -0.11 0.98 0.24 0.82 -1.08 0.00 0.00 179.45 180.29 2xbl h ILE 174 N 0.90 1.18 -0.77 1.86 2.04 -0.49 -2.17 117.51 120.06 2xbl h ILE 174 Ca 0.16 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2xbl h ILE 174 Cb 0.54 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2xbl h ILE 174 CO 0.03 0.19 0.44 1.56 0.00 0.00 0.00 178.15 180.37 2xbl h GLN 175 N 0.61 1.06 -0.64 2.37 4.20 -0.67 0.10 115.11 122.14 2xbl h GLN 175 Ca 0.16 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2xbl h GLN 175 Cb 0.09 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2xbl h GLN 175 CO -0.02 0.76 0.40 0.93 -0.67 0.00 0.00 178.83 180.23 2xbl h GLU 176 N 1.07 0.87 -0.75 1.46 5.08 -1.07 -1.50 114.58 119.75 2xbl h GLU 176 Ca 0.28 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2xbl h GLU 176 Cb -0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2xbl h GLU 176 CO -0.05 0.61 0.25 0.78 -1.00 0.00 0.00 179.01 179.61 2xbl h GLY 177 N 0.87 1.24 0.97 -3.84 0.00 -0.64 -2.49 103.07 99.17 2xbl h GLY 177 Ca 0.23 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.88 2xbl h GLY 177 CO -0.04 0.67 0.63 0.45 0.00 0.00 0.00 176.54 178.24 2xbl h HIS 178 N 1.10 1.17 -0.29 5.60 3.86 -0.27 -0.33 115.15 125.99 2xbl h HIS 178 Ca 0.24 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.38 2xbl h HIS 178 Cb 0.28 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 2xbl h HIS 178 CO 0.02 0.69 -0.21 1.25 0.86 0.00 0.00 177.93 180.54 2xbl h LEU 179 N 1.22 0.69 -0.28 2.43 5.85 -1.01 0.16 115.31 124.36 2xbl h LEU 179 Ca 0.37 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2xbl h LEU 179 Cb -0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2xbl h LEU 179 CO -0.11 0.98 0.07 0.58 -0.34 0.00 0.00 178.44 179.63 2xbl h VAL 180 N 0.39 0.89 -0.26 1.05 2.07 -1.13 -1.09 116.25 118.18 2xbl h VAL 180 Ca 0.06 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.34 2xbl h VAL 180 Cb 0.76 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2xbl h VAL 180 CO 0.06 0.03 -0.52 -0.07 0.02 0.00 0.00 177.57 177.09 2xbl h LEU 181 N 0.19 0.82 -0.74 2.57 3.38 -0.91 -2.73 115.31 117.89 2xbl h LEU 181 Ca 0.13 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2xbl h LEU 181 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2xbl h LEU 181 CO -0.15 1.19 0.45 1.23 0.09 0.00 0.00 178.44 181.24 2xbl h GLY 182 N 0.87 1.07 0.74 0.83 0.00 -0.49 -0.84 103.07 105.24 2xbl h GLY 182 Ca 0.02 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 46.96 2xbl h GLY 182 CO 0.11 0.43 0.48 0.45 0.00 0.00 0.00 176.54 178.01 2xbl h HIS 183 N 1.01 0.90 -0.29 5.60 3.86 -1.12 -0.71 115.15 124.39 2xbl h HIS 183 Ca 0.26 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2xbl h HIS 183 Cb -0.04 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 2xbl h HIS 183 CO -0.01 0.46 -0.08 0.82 0.86 0.00 0.00 177.93 179.98 2xbl h ILE 184 N 0.90 1.28 -0.50 2.45 2.04 -1.06 -0.05 117.51 122.57 2xbl h ILE 184 Ca 0.34 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 65.12 2xbl h ILE 184 Cb 0.15 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2xbl h ILE 184 CO -0.16 0.36 0.26 0.58 0.00 0.00 0.00 178.15 179.19 2xbl h VAL 185 N 0.33 0.98 -0.04 1.67 2.07 -0.94 -0.70 116.25 119.62 2xbl h VAL 185 Ca 0.07 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2xbl h VAL 185 Cb 0.57 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2xbl h VAL 185 CO 0.03 0.09 -0.21 0.00 0.02 0.00 0.00 177.57 177.50 2xbl h GLY 187 N -0.32 1.42 0.97 0.00 0.00 -0.64 -0.18 103.07 104.32 2xbl h GLY 187 Ca 0.07 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 2xbl h GLY 187 CO -0.22 0.50 -0.13 1.41 0.00 0.00 0.00 176.54 178.11 2xbl h LEU 188 N 1.35 0.75 -0.13 3.11 3.38 -0.80 -1.30 115.31 121.67 2xbl h LEU 188 Ca 0.37 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2xbl h LEU 188 Cb -0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 2xbl h LEU 188 CO -0.09 0.96 0.02 0.58 0.09 0.00 0.00 178.44 180.01 2xbl h VAL 189 N 0.54 1.22 -0.30 1.22 2.07 -0.92 -1.24 116.25 118.84 2xbl h VAL 189 Ca 0.09 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2xbl h VAL 189 Cb 0.65 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2xbl h VAL 189 CO 0.04 0.21 0.02 -0.08 0.02 0.00 0.00 177.57 177.78 2xbl h GLU 190 N -0.02 0.12 -0.60 1.57 4.81 -1.01 -1.76 114.58 117.69 2xbl h GLU 190 Ca 0.04 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2xbl h GLU 190 Cb 0.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2xbl h GLU 190 CO 0.00 0.08 -0.02 1.25 -0.73 0.00 0.00 179.01 179.59 2xbl h HIS 191 N 0.12 1.17 -0.53 0.92 2.76 -1.19 -0.59 115.15 117.80 2xbl h HIS 191 Ca 0.14 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 2xbl h HIS 191 Cb 0.18 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2xbl h HIS 191 CO -0.20 1.04 0.18 1.03 -1.30 0.00 0.00 177.93 178.68 2xbl h SER 192 N 0.96 0.76 0.22 3.26 0.87 -0.90 0.21 113.55 118.92 2xbl h SER 192 Ca 0.17 -0.19 -0.35 0.00 -1.23 0.00 0.00 61.79 60.19 2xbl h SER 192 Cb 0.58 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2xbl h SER 192 CO 0.03 0.75 -1.64 0.40 -0.53 0.00 0.00 176.83 175.85 2xbl h ILE 193 N 0.73 1.08 -0.00 2.23 2.04 -1.25 -3.39 117.51 118.95 2xbl h ILE 193 Ca 0.17 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2xbl h ILE 193 Cb 0.25 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2xbl h ILE 193 CO -0.01 0.84 0.00 0.49 0.00 0.00 0.00 178.15 179.47 2xbl n PHE 194 N -3.66 0.00 1.05 1.37 3.72 -0.24 -5.11 117.46 114.61 2xbl n PHE 194 Ca -0.22 -0.07 0.08 0.00 -0.05 0.00 0.00 57.45 57.20 2xbl n PHE 194 Cb 1.09 -0.01 0.50 0.00 -0.94 0.00 0.00 39.48 40.12 2xbl n PHE 194 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12