#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3y h GLU 5 N 0.00 0.62 -0.87 2.89 5.08 -2.05 -2.97 114.58 117.28 2x3y h GLU 5 Ca 0.00 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2x3y h GLU 5 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2x3y h GLU 5 CO 0.00 1.02 0.57 1.25 -1.00 0.00 0.00 179.01 180.85 2x3y h LEU 6 N 0.31 1.01 -0.36 1.33 5.85 -2.05 -1.64 115.31 119.75 2x3y h LEU 6 Ca 0.01 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2x3y h LEU 6 Cb 1.01 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2x3y h LEU 6 CO 0.09 0.74 0.15 0.74 -0.34 0.00 0.00 178.44 179.82 2x3y h THR 7 N 1.19 1.18 -0.48 1.05 2.02 -2.00 0.11 112.91 115.98 2x3y h THR 7 Ca 0.32 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.96 2x3y h THR 7 Cb -0.12 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2x3y h THR 7 CO -0.07 0.20 0.31 0.22 0.37 0.00 0.00 175.52 176.55 2x3y h TYR 8 N 0.44 0.59 0.53 3.16 3.20 -1.31 0.30 116.97 123.88 2x3y h TYR 8 Ca 0.12 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2x3y h TYR 8 Cb 0.16 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 2x3y h TYR 8 CO -0.01 0.37 -0.31 0.82 -1.64 0.00 0.00 178.16 177.39 2x3y h ILE 9 N 0.64 0.37 -0.32 1.81 2.04 -0.94 -1.83 117.51 119.27 2x3y h ILE 9 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 2x3y h ILE 9 Cb -0.06 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2x3y h ILE 9 CO -0.05 0.00 0.18 0.71 0.00 0.00 0.00 178.15 178.99 2x3y h THR 10 N -0.79 1.13 -1.00 -0.27 1.35 -0.86 -2.53 112.91 109.95 2x3y h THR 10 Ca -0.06 -0.35 0.14 0.00 -0.55 0.00 0.00 66.41 65.59 2x3y h THR 10 Cb 0.64 0.78 -0.09 0.00 -1.73 0.00 0.00 68.15 67.74 2x3y h THR 10 CO 0.07 0.13 0.63 0.78 -0.25 0.00 0.00 175.52 176.88 2x3y h ASN 11 N 0.40 0.88 -0.49 5.36 2.35 -0.95 -0.07 115.58 123.06 2x3y h ASN 11 Ca 0.11 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2x3y h ASN 11 Cb 0.06 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2x3y h ASN 11 CO -0.02 0.42 0.01 0.28 -1.65 0.00 0.00 177.43 176.48 2x3y h SER 12 N 0.92 0.84 -0.38 5.81 0.02 -0.93 0.12 113.55 119.95 2x3y h SER 12 Ca 0.52 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 2x3y h SER 12 Cb 0.62 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2x3y h SER 12 CO -0.30 0.94 -0.30 0.40 -1.14 0.00 0.00 176.83 176.42 2x3y h ILE 13 N 0.72 1.28 -0.35 3.27 2.04 -1.18 -2.65 117.51 120.64 2x3y h ILE 13 Ca 0.14 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.54 2x3y h ILE 13 Cb 0.50 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2x3y h ILE 13 CO 0.02 0.49 0.22 0.00 0.00 0.00 0.00 178.15 178.88 2x3y h ALA 14 N 0.78 0.44 -0.56 1.87 0.00 -0.88 -1.37 119.26 119.54 2x3y h ALA 14 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2x3y h ALA 14 Cb 0.89 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2x3y h ALA 14 CO 0.08 -0.13 0.27 1.49 0.00 0.00 0.00 179.25 180.96 2x3y h GLU 15 N 0.44 0.79 -0.34 0.00 4.57 -0.93 -1.05 114.58 118.06 2x3y h GLU 15 Ca 0.13 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2x3y h GLU 15 Cb -0.02 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2x3y h GLU 15 CO -0.05 0.62 -0.13 0.00 -1.18 0.00 0.00 179.01 178.27 2x3y h ALA 16 N 1.50 0.47 -0.97 2.92 0.00 -1.21 -1.81 119.26 120.17 2x3y h ALA 16 Ca 0.20 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.92 2x3y h ALA 16 Cb 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2x3y h ALA 16 CO -0.03 0.36 0.61 0.37 0.00 0.00 0.00 179.25 180.56 2x3y h GLN 17 N 0.46 0.85 0.06 0.00 4.15 -0.69 -1.43 115.11 118.52 2x3y h GLN 17 Ca 0.08 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2x3y h GLN 17 Cb 0.65 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2x3y h GLN 17 CO 0.04 0.56 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.39 2x3y h ARG 18 N 0.88 -0.08 -0.76 1.69 2.43 -1.01 -1.72 114.38 115.82 2x3y h ARG 18 Ca 0.49 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.84 2x3y h ARG 18 Cb 0.60 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.03 2x3y h ARG 18 CO -0.25 0.39 0.04 0.28 -1.51 0.00 0.00 179.97 178.92 2x3y h VAL 19 N -0.58 0.36 -0.40 0.20 2.07 -1.09 0.41 116.25 117.23 2x3y h VAL 19 Ca -0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2x3y h VAL 19 Cb 0.50 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2x3y h VAL 19 CO 0.01 0.02 0.22 0.24 0.02 0.00 0.00 177.57 178.08 2x3y h MET 20 N 0.13 0.43 -0.35 1.57 2.86 -1.15 -0.54 114.93 117.87 2x3y h MET 20 Ca 0.42 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.07 2x3y h MET 20 Cb 0.75 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 2x3y h MET 20 CO -0.64 0.28 0.14 0.00 1.06 0.00 0.00 176.91 177.75 2x3y h ALA 21 N 1.19 0.42 -0.66 6.32 0.00 0.15 -0.21 119.26 126.47 2x3y h ALA 21 Ca 0.16 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2x3y h ALA 21 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2x3y h ALA 21 CO -0.09 -0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.11 2x3y h ALA 22 N 1.22 1.10 -0.57 0.00 0.00 0.16 -2.15 119.26 119.02 2x3y h ALA 22 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2x3y h ALA 22 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2x3y h ALA 22 CO -0.15 0.61 0.00 0.52 0.00 0.00 0.00 179.25 180.23 2x3y h MET 23 N 0.98 1.01 0.00 0.00 2.86 -0.75 -2.67 114.93 116.36 2x3y h MET 23 Ca 0.22 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2x3y h MET 23 Cb 0.29 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2x3y h MET 23 CO -0.01 1.00 -0.01 1.25 1.06 0.00 0.00 176.91 180.20 2x3y h LEU 24 N 0.89 0.00 -1.97 1.22 5.85 -0.43 -2.26 115.31 118.61 2x3y h LEU 24 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2x3y h LEU 24 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2x3y h LEU 24 CO 0.03 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 2x3y n ALA 25 N -2.42 2.46 -3.22 1.25 0.00 -0.88 -4.80 120.51 112.89 2x3y n ALA 25 Ca -0.03 -0.76 -0.46 0.00 0.00 0.00 0.00 53.44 52.20 2x3y n ALA 25 Cb 0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2x3y n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3y s ASP 26 N -1.85 6.40 0.17 0.00 -1.08 -0.85 -4.93 116.67 114.53 2x3y s ASP 26 Ca 0.32 -1.97 -0.12 0.00 -0.52 0.00 0.00 52.55 50.25 2x3y s ASP 26 Cb 0.21 -2.26 0.07 0.00 -1.46 0.00 0.00 42.92 39.48 2x3y s ASP 26 CO 0.31 -0.87 1.72 -0.08 0.52 0.00 0.00 175.17 176.76 2x3y h GLU 27 N 8.65 0.88 -0.57 4.34 4.81 -1.87 -1.70 114.58 129.12 2x3y h GLU 27 Ca -0.13 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2x3y h GLU 27 Cb 1.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 2x3y h GLU 27 CO 0.98 0.76 0.01 0.07 -0.73 0.00 0.00 179.01 180.10 2x3y h ARG 28 N 0.81 1.01 -0.08 1.92 0.11 -1.97 -1.27 114.38 114.91 2x3y h ARG 28 Ca 0.19 -0.32 0.02 0.00 0.10 0.00 0.00 59.98 59.98 2x3y h ARG 28 Cb 0.22 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 2x3y h ARG 28 CO -0.01 0.99 -0.05 1.25 0.10 0.00 0.00 179.97 182.25 2x3y h LEU 29 N 0.89 -0.16 -0.70 0.08 6.46 -1.86 -1.02 115.31 118.99 2x3y h LEU 29 Ca 0.16 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.02 2x3y h LEU 29 Cb 0.53 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 2x3y h LEU 29 CO 0.03 -0.07 0.41 -0.07 -0.62 0.00 0.00 178.44 178.11 2x3y h LEU 30 N -0.06 0.62 -1.50 2.25 3.38 -1.00 0.26 115.31 119.27 2x3y h LEU 30 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2x3y h LEU 30 Cb 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2x3y h LEU 30 CO -0.11 0.41 0.09 0.00 0.09 0.00 0.00 178.44 178.91 2x3y h ALA 31 N 1.35 1.61 -0.09 1.53 0.00 -0.95 -2.55 119.26 120.16 2x3y h ALA 31 Ca 0.31 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2x3y h ALA 31 Cb 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2x3y h ALA 31 CO -0.17 0.31 -0.88 1.15 0.00 0.00 0.00 179.25 179.66 2x3y h THR 32 N 0.42 1.29 -0.23 0.00 2.02 0.25 -2.64 112.91 114.01 2x3y h THR 32 Ca 0.10 -2.10 0.06 0.00 0.77 0.00 0.00 66.41 65.24 2x3y h THR 32 Cb 0.14 2.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 2x3y h THR 32 CO -0.01 0.66 -0.20 0.58 0.37 0.00 0.00 175.52 176.92 2x3y h VAL 33 N 0.46 0.48 -0.53 3.16 2.07 -0.73 -0.33 116.25 120.83 2x3y h VAL 33 Ca -0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.55 2x3y h VAL 33 Cb 1.51 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 31.65 2x3y h VAL 33 CO 0.17 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 177.47 2x3y h ARG 34 N -0.20 -0.08 -0.44 1.57 2.43 -1.41 -2.25 114.38 114.00 2x3y h ARG 34 Ca 0.13 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2x3y h ARG 34 Cb 0.40 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2x3y h ARG 34 CO -0.35 -0.05 0.07 0.87 -1.51 0.00 0.00 179.97 179.00 2x3y h LYS 35 N -0.08 0.67 0.02 0.20 1.57 -0.90 -1.35 116.57 116.71 2x3y h LYS 35 Ca 0.25 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2x3y h LYS 35 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2x3y h LYS 35 CO -0.59 0.64 -0.01 0.28 -0.57 0.00 0.00 179.45 179.21 2x3y h VAL 36 N 0.65 1.00 -0.53 0.50 2.07 -0.54 0.75 116.25 120.16 2x3y h VAL 36 Ca 0.14 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.67 2x3y h VAL 36 Cb 0.30 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 2x3y h VAL 36 CO 0.00 0.02 0.08 0.00 0.02 0.00 0.00 177.57 177.70 2x3y h ALA 37 N 0.91 0.58 -0.55 1.67 0.00 -1.06 -1.59 119.26 119.22 2x3y h ALA 37 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2x3y h ALA 37 Cb 0.06 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2x3y h ALA 37 CO 0.01 -0.33 0.27 -0.44 0.00 0.00 0.00 179.25 178.75 2x3y h ASP 38 N 0.21 0.68 -0.11 0.00 3.32 -0.83 -0.79 116.42 118.91 2x3y h ASP 38 Ca 0.27 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2x3y h ASP 38 Cb 0.39 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2x3y h ASP 38 CO -0.37 0.58 0.06 0.00 -1.72 0.00 0.00 179.24 177.78 2x3y h ALA 39 N 1.53 0.14 -0.46 3.45 0.00 0.07 -0.92 119.26 123.07 2x3y h ALA 39 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2x3y h ALA 39 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2x3y h ALA 39 CO -0.03 -0.31 0.20 0.00 0.00 0.00 0.00 179.25 179.12 2x3y h ILE 41 N 0.60 1.04 -0.54 0.00 2.04 -1.01 -0.70 117.51 118.93 2x3y h ILE 41 Ca 0.15 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 2x3y h ILE 41 Cb 0.16 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2x3y h ILE 41 CO -0.02 0.08 -0.09 0.00 0.00 0.00 0.00 178.15 178.13 2x3y h ALA 42 N 1.17 0.81 0.31 1.87 0.00 -1.01 -0.45 119.26 121.96 2x3y h ALA 42 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2x3y h ALA 42 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2x3y h ALA 42 CO -0.07 0.66 -0.15 1.03 0.00 0.00 0.00 179.25 180.72 2x3y h SER 43 N 0.90 -0.35 -0.98 0.00 0.87 -0.88 -2.55 113.55 110.55 2x3y h SER 43 Ca 0.14 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2x3y h SER 43 Cb 0.65 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 2x3y h SER 43 CO 0.04 -0.19 0.64 0.40 -0.53 0.00 0.00 176.83 177.19 2x3y h ILE 44 N -0.48 1.19 0.00 2.23 2.04 -1.11 0.15 117.51 121.53 2x3y h ILE 44 Ca -0.04 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2x3y h ILE 44 Cb 0.36 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2x3y h ILE 44 CO 0.07 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.39 2x3y h ALA 45 N 1.42 1.13 -0.41 1.87 0.00 -0.86 -1.59 119.26 120.82 2x3y h ALA 45 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2x3y h ALA 45 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2x3y h ALA 45 CO -0.11 0.07 0.00 0.94 0.00 0.00 0.00 179.25 180.15 2x3y n GLN 46 N -3.34 2.47 0.00 0.00 0.00 -0.77 -4.93 117.38 110.81 2x3y n GLN 46 Ca -0.01 -2.28 0.00 0.00 -0.00 0.00 0.00 57.00 54.71 2x3y n GLN 46 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.96 2x3y n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2x3y n GLY 47 N 1.42 1.01 1.45 1.69 0.00 -0.60 -5.08 105.19 105.08 2x3y n GLY 47 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2x3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3y n GLY 48 N -1.73 0.01 3.29 -0.02 0.00 0.45 -4.96 105.19 102.24 2x3y n GLY 48 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2x3y n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x3y s LYS 49 N -3.65 1.27 -0.15 1.61 -2.85 -1.26 -4.33 119.74 110.38 2x3y s LYS 49 Ca 0.26 -1.54 -0.01 0.00 -1.00 0.00 0.00 55.97 53.68 2x3y s LYS 49 Cb -0.01 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2x3y s LYS 49 CO 0.18 -0.45 -0.12 0.08 0.10 0.00 0.00 175.35 175.14 2x3y s VAL 50 N -4.12 3.05 -0.06 1.79 1.01 -0.38 -1.22 120.40 120.46 2x3y s VAL 50 Ca 0.35 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2x3y s VAL 50 Cb 0.05 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2x3y s VAL 50 CO 0.11 0.50 -0.01 -0.76 0.00 0.00 0.00 175.10 174.95 2x3y s LEU 51 N 0.68 3.50 0.02 3.92 1.43 0.12 -0.35 118.68 128.00 2x3y s LEU 51 Ca -0.06 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 2x3y s LEU 51 Cb -0.15 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2x3y s LEU 51 CO 0.02 0.35 -0.21 -0.76 0.23 0.00 0.00 176.35 175.98 2x3y s LEU 52 N -1.06 2.12 -0.01 1.79 1.02 -0.37 0.45 118.68 122.62 2x3y s LEU 52 Ca 0.15 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.82 2x3y s LEU 52 Cb -0.11 -1.03 0.00 0.00 0.02 0.00 0.00 46.19 45.07 2x3y s LEU 52 CO 0.04 0.20 0.03 0.00 0.02 0.00 0.00 176.35 176.65 2x3y s ALA 53 N -0.68 -0.07 -0.00 4.21 0.00 -0.09 -0.25 121.76 124.88 2x3y s ALA 53 Ca 0.08 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 2x3y s ALA 53 Cb -0.09 -0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.11 2x3y s ALA 53 CO 0.01 -0.04 0.96 0.20 0.00 0.00 0.00 175.76 176.88 2x3y s GLY 54 N -0.23 -0.40 0.14 0.00 0.00 -1.26 -0.73 107.32 104.83 2x3y s GLY 54 Ca -0.03 0.93 0.06 0.00 0.00 0.00 0.00 44.72 45.68 2x3y s GLY 54 CO -0.00 0.30 0.04 -1.31 0.00 0.00 0.00 173.10 172.12 2x3y s ASN 55 N -2.54 5.08 1.32 1.64 0.01 -1.26 -3.79 114.94 115.39 2x3y s ASN 55 Ca 0.07 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2x3y s ASN 55 Cb -0.01 -1.20 0.00 0.00 0.41 0.00 0.00 41.25 40.45 2x3y s ASN 55 CO -0.06 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 2x3y n GLY 56 N 0.10 3.36 0.29 0.66 0.00 -1.26 -1.33 105.19 107.01 2x3y n GLY 56 Ca -0.10 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.01 2x3y n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x3y h GLY 57 N 0.00 1.27 2.00 -0.02 0.00 -2.01 0.30 103.07 104.61 2x3y h GLY 57 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2x3y h GLY 57 CO 0.00 -0.11 0.00 1.76 0.00 0.00 0.00 176.54 178.19 2x3y h SER 58 N 0.48 0.00 -0.20 0.19 0.02 -1.55 -1.59 113.55 110.91 2x3y h SER 58 Ca 0.45 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.22 2x3y h SER 58 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2x3y h SER 58 CO -0.41 0.00 -0.58 0.00 -1.14 0.00 0.00 176.83 174.69 2x3y h ALA 59 N 2.13 0.34 -0.60 3.77 0.00 -0.21 -1.89 119.26 122.80 2x3y h ALA 59 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2x3y h ALA 59 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2x3y h ALA 59 CO 0.00 0.57 0.33 0.00 0.00 0.00 0.00 179.25 180.15 2x3y h ALA 60 N 0.59 0.78 -0.36 0.00 0.00 -1.10 -2.85 119.26 116.32 2x3y h ALA 60 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2x3y h ALA 60 Cb 1.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2x3y h ALA 60 CO 0.13 0.01 0.05 -0.44 0.00 0.00 0.00 179.25 179.00 2x3y h ASP 61 N 0.63 0.50 -0.29 0.00 3.32 -1.29 -0.55 116.42 118.73 2x3y h ASP 61 Ca 0.26 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2x3y h ASP 61 Cb 0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2x3y h ASP 61 CO -0.16 0.54 0.13 0.00 -1.72 0.00 0.00 179.24 178.03 2x3y h ALA 62 N 1.53 0.38 0.02 3.45 0.00 -1.11 -2.31 119.26 121.23 2x3y h ALA 62 Ca 0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2x3y h ALA 62 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2x3y h ALA 62 CO 0.00 -0.05 -1.00 -0.56 0.00 0.00 0.00 179.25 177.64 2x3y h GLN 63 N 0.33 0.05 -0.37 0.00 3.07 -1.39 -2.34 115.11 114.47 2x3y h GLN 63 Ca 0.10 -0.08 0.07 0.00 0.09 0.00 0.00 58.65 58.83 2x3y h GLN 63 Cb 0.13 0.03 -0.09 0.00 0.08 0.00 0.00 27.48 27.63 2x3y h GLN 63 CO -0.01 1.00 -0.36 1.25 0.09 0.00 0.00 178.83 180.81 2x3y h HIS 64 N 0.02 -1.01 -0.30 0.06 2.76 -0.99 0.16 115.15 115.86 2x3y h HIS 64 Ca -0.03 0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2x3y h HIS 64 Cb 1.74 0.49 -0.01 0.00 1.55 0.00 0.00 27.41 31.18 2x3y h HIS 64 CO 0.01 -0.40 -0.05 0.82 -1.30 0.00 0.00 177.93 177.00 2x3y h ILE 65 N -0.29 1.27 -0.65 6.26 1.08 -1.39 -2.75 117.51 121.04 2x3y h ILE 65 Ca 0.15 -1.06 0.12 0.00 -0.39 0.00 0.00 64.86 63.68 2x3y h ILE 65 Cb 0.56 1.36 -0.09 0.00 -3.07 0.00 0.00 36.82 35.58 2x3y h ILE 65 CO -0.53 0.34 0.19 0.00 -0.69 0.00 0.00 178.15 177.46 2x3y h ALA 66 N 0.80 0.82 -0.88 1.87 0.00 -1.10 -1.36 119.26 119.41 2x3y h ALA 66 Ca 0.08 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2x3y h ALA 66 Cb 0.53 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2x3y h ALA 66 CO 0.03 -0.26 0.57 0.78 0.00 0.00 0.00 179.25 180.37 2x3y h GLY 67 N 0.33 1.27 1.98 0.00 0.00 -0.40 -0.86 103.07 105.40 2x3y h GLY 67 Ca 0.34 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2x3y h GLY 67 CO -0.39 0.23 -0.23 0.83 0.00 0.00 0.00 176.54 176.98 2x3y h GLU 68 N 0.91 0.00 -0.10 4.80 5.08 -1.08 0.39 114.58 124.58 2x3y h GLU 68 Ca 0.40 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 2x3y h GLU 68 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2x3y h GLU 68 CO -0.16 0.21 -0.31 0.74 -1.00 0.00 0.00 179.01 178.49 2x3y h PHE 69 N 0.00 0.51 0.18 4.33 0.04 -0.59 -3.23 116.94 118.18 2x3y h PHE 69 Ca -0.00 -0.20 -0.32 0.00 2.80 0.00 0.00 57.97 60.24 2x3y h PHE 69 Cb 1.17 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 39.24 2x3y h PHE 69 CO 0.00 0.92 -1.57 0.28 -0.60 0.00 0.00 178.31 177.34 2x3y h VAL 70 N -0.05 1.05 0.00 -0.55 2.07 -1.15 -0.78 116.25 116.86 2x3y h VAL 70 Ca -0.01 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2x3y h VAL 70 Cb 0.93 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2x3y h VAL 70 CO 0.07 0.81 0.00 -0.24 0.02 0.00 0.00 177.57 178.23 2x3y n SER 71 N -3.72 0.00 -3.57 0.57 2.88 0.12 -4.22 113.62 105.67 2x3y n SER 71 Ca -0.23 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 2x3y n SER 71 Cb 1.03 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.44 2x3y n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x3y s ARG 72 N 0.30 1.08 -0.00 -1.46 1.70 -1.24 -4.68 118.95 114.64 2x3y s ARG 72 Ca 0.00 -0.43 -0.00 0.00 -0.47 0.00 0.00 55.73 54.83 2x3y s ARG 72 Cb 0.00 0.49 -0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2x3y s ARG 72 CO 0.00 -0.41 -0.01 0.34 -1.08 0.00 0.00 175.30 174.14 2x3y n PHE 73 N 0.09 0.00 -0.01 5.89 -0.00 -1.22 -4.59 117.46 117.62 2x3y n PHE 73 Ca -0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.30 2x3y n PHE 73 Cb 0.62 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.48 40.02 2x3y n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2x3y n ALA 74 N -2.57 2.22 -3.42 3.13 0.00 -1.26 -5.07 120.51 113.54 2x3y n ALA 74 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 2x3y n ALA 74 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 2x3y n ALA 74 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2x3y s PHE 75 N -2.54 -0.21 0.12 0.00 -0.12 -1.26 -5.14 117.98 108.83 2x3y s PHE 75 Ca -0.03 -0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 56.42 2x3y s PHE 75 Cb 0.05 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.85 2x3y s PHE 75 CO 0.37 -0.96 1.29 -0.51 -0.05 0.00 0.00 175.22 175.36 2x3y s ASP 76 N -2.86 6.95 0.19 1.98 1.11 -1.26 -4.88 116.67 117.91 2x3y s ASP 76 Ca 0.08 2.22 -0.23 0.00 0.18 0.00 0.00 52.55 54.80 2x3y s ASP 76 Cb -0.02 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.45 2x3y s ASP 76 CO -0.03 -0.54 1.00 0.00 1.18 0.00 0.00 175.17 176.78 2x3y s ARG 77 N 0.74 1.35 0.85 8.23 1.04 -1.26 -5.16 118.95 124.74 2x3y s ARG 77 Ca 0.60 -0.84 -0.11 0.00 -1.04 0.00 0.00 55.73 54.35 2x3y s ARG 77 Cb -0.34 0.40 0.11 0.00 -2.04 0.00 0.00 34.95 33.08 2x3y s ARG 77 CO 0.32 -0.63 1.13 -2.14 -0.04 0.00 0.00 175.30 173.94 2x3y s PRO 78 N -2.51 1.52 0.47 3.89 0.02 -1.26 -4.97 135.00 132.16 2x3y s PRO 78 Ca 0.18 1.45 -0.23 0.00 0.02 0.00 0.00 61.00 62.42 2x3y s PRO 78 Cb -0.02 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2x3y s PRO 78 CO 0.05 -2.24 1.17 0.20 -0.33 0.00 0.00 177.00 175.85 2x3y s GLY 79 N -2.84 2.77 0.15 0.52 0.00 -1.26 -4.99 107.32 101.68 2x3y s GLY 79 Ca 0.66 0.95 0.04 0.00 0.00 0.00 0.00 44.72 46.37 2x3y s GLY 79 CO 0.56 1.40 0.19 1.08 0.00 0.00 0.00 173.10 176.33 2x3y s LEU 80 N -3.11 4.00 -0.96 0.66 1.43 -0.30 -4.99 118.68 115.42 2x3y s LEU 80 Ca 0.65 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 2x3y s LEU 80 Cb -0.29 -2.60 0.07 0.00 0.03 0.00 0.00 46.19 43.40 2x3y s LEU 80 CO 0.35 0.07 1.33 -2.84 0.23 0.00 0.00 176.35 175.49 2x3y s PRO 81 N -3.12 3.54 0.01 1.29 0.02 -1.26 -3.95 135.00 131.53 2x3y s PRO 81 Ca 0.32 -1.22 0.03 0.00 0.02 0.00 0.00 61.00 60.15 2x3y s PRO 81 Cb -0.10 -5.11 -0.01 0.00 0.02 0.00 0.00 34.50 29.30 2x3y s PRO 81 CO 0.25 -2.07 -0.08 0.00 -0.33 0.00 0.00 177.00 174.77 2x3y s ALA 82 N 4.38 0.68 -0.06 -1.55 0.00 -1.26 -1.25 121.76 122.70 2x3y s ALA 82 Ca 0.41 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2x3y s ALA 82 Cb -0.03 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.00 2x3y s ALA 82 CO -0.07 0.13 0.01 0.08 0.00 0.00 0.00 175.76 175.91 2x3y s VAL 83 N -0.48 0.26 -0.04 0.00 1.01 0.52 -4.88 120.40 116.79 2x3y s VAL 83 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 2x3y s VAL 83 Cb -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2x3y s VAL 83 CO 0.00 0.23 0.82 0.00 0.00 0.00 0.00 175.10 176.15 2x3y s ALA 84 N 1.88 3.26 -0.63 5.51 0.00 -1.26 -1.23 121.76 129.29 2x3y s ALA 84 Ca 0.03 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2x3y s ALA 84 Cb -0.12 -3.13 0.36 0.00 0.00 0.00 0.00 23.12 20.23 2x3y s ALA 84 CO -0.04 -0.17 1.08 1.28 0.00 0.00 0.00 175.76 177.92 2x3y n LEU 85 N 3.85 3.24 -0.02 0.00 4.77 0.65 -4.00 117.00 125.49 2x3y n LEU 85 Ca 0.02 -1.65 0.02 0.00 -0.03 0.00 0.00 56.01 54.37 2x3y n LEU 85 Cb 0.51 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2x3y n LEU 85 CO 0.49 0.44 0.52 0.35 -1.33 0.00 0.00 177.39 177.86 2x3y n THR 86 N 0.24 1.18 -0.10 -5.08 -2.24 -1.26 -4.79 114.28 102.23 2x3y n THR 86 Ca 0.13 -1.25 -0.13 0.00 -2.27 0.00 0.00 64.05 60.54 2x3y n THR 86 Cb 0.70 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 2x3y n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2x3y n THR 87 N -0.68 1.22 -2.69 4.28 -2.24 -1.26 -4.92 114.28 108.00 2x3y n THR 87 Ca 0.03 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 2x3y n THR 87 Cb 0.33 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 67.49 2x3y n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x3y s ASP 88 N -5.78 6.34 0.42 3.42 -1.08 -1.26 -4.90 116.67 113.84 2x3y s ASP 88 Ca -0.22 -0.23 0.26 0.00 -0.52 0.00 0.00 52.55 51.83 2x3y s ASP 88 Cb 0.07 -2.50 0.71 0.00 -1.46 0.00 0.00 42.92 39.74 2x3y s ASP 88 CO 0.57 -1.44 1.74 0.71 0.52 0.00 0.00 175.17 177.26 2x3y h THR 89 N 6.07 0.00 -0.34 1.71 1.35 -1.99 -0.48 112.91 119.23 2x3y h THR 89 Ca -0.26 -0.75 -0.10 0.00 -0.55 0.00 0.00 66.41 64.75 2x3y h THR 89 Cb 1.06 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 2x3y h THR 89 CO 1.16 0.00 -0.19 0.28 -0.25 0.00 0.00 175.52 176.53 2x3y h SER 90 N 0.00 0.75 0.05 5.36 0.02 -1.99 -2.30 113.55 115.44 2x3y h SER 90 Ca 0.00 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2x3y h SER 90 Cb 0.80 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2x3y h SER 90 CO 0.00 1.00 -0.03 0.40 -1.14 0.00 0.00 176.83 177.07 2x3y h ILE 91 N 0.50 1.12 0.07 3.27 2.04 -1.84 -0.80 117.51 121.88 2x3y h ILE 91 Ca 0.07 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2x3y h ILE 91 Cb 0.73 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2x3y h ILE 91 CO 0.05 0.14 -0.18 -0.07 0.00 0.00 0.00 178.15 178.09 2x3y h LEU 92 N -0.32 -0.51 -1.04 1.44 3.38 -1.18 -1.11 115.31 115.97 2x3y h LEU 92 Ca -0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2x3y h LEU 92 Cb 0.28 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2x3y h LEU 92 CO 0.01 -0.26 -0.29 0.71 0.09 0.00 0.00 178.44 178.71 2x3y h THR 93 N -0.34 0.69 -0.07 0.22 1.35 -1.46 -1.78 112.91 111.53 2x3y h THR 93 Ca 0.03 -1.28 -0.04 0.00 -0.55 0.00 0.00 66.41 64.57 2x3y h THR 93 Cb 0.37 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2x3y h THR 93 CO -0.12 0.28 -0.12 0.00 -0.25 0.00 0.00 175.52 175.31 2x3y h ALA 94 N 1.71 0.11 -0.22 6.62 0.00 -0.89 -2.67 119.26 123.92 2x3y h ALA 94 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2x3y h ALA 94 Cb 0.81 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2x3y h ALA 94 CO 0.04 -0.02 -0.01 0.82 0.00 0.00 0.00 179.25 180.08 2x3y h ILE 95 N -0.28 1.15 0.46 0.00 2.04 -1.15 0.21 117.51 119.94 2x3y h ILE 95 Ca 0.00 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2x3y h ILE 95 Cb 0.69 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2x3y h ILE 95 CO 0.03 0.19 -0.47 1.23 0.00 0.00 0.00 178.15 179.13 2x3y h GLY 96 N 0.64 -1.23 0.84 5.37 0.00 -1.23 -1.20 103.07 106.25 2x3y h GLY 96 Ca 0.07 0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.95 2x3y h GLY 96 CO 0.01 -0.37 0.03 3.43 0.00 0.00 0.00 176.54 179.64 2x3y h ASN 97 N -0.94 0.31 -0.01 0.19 4.21 -1.20 -2.14 115.58 116.01 2x3y h ASN 97 Ca -0.06 -0.26 -0.19 0.00 1.21 0.00 0.00 56.30 57.00 2x3y h ASN 97 Cb 0.81 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.93 2x3y h ASN 97 CO -0.06 0.49 -0.66 0.44 -1.29 0.00 0.00 177.43 176.35 2x3y h ASP 98 N 0.11 0.73 0.00 5.81 3.32 -0.62 -3.39 116.42 122.39 2x3y h ASP 98 Ca 0.06 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2x3y h ASP 98 Cb 0.31 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2x3y h ASP 98 CO 0.00 1.20 0.00 -1.22 -1.72 0.00 0.00 179.24 177.50 2x3y n TYR 99 N -3.93 0.00 0.00 4.55 4.01 -0.55 -5.06 117.16 116.19 2x3y n TYR 99 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2x3y n TYR 99 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 2x3y n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x3y n GLY 100 N 0.22 1.98 0.00 2.72 0.00 -0.65 -4.63 105.19 104.83 2x3y n GLY 100 Ca 0.00 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.47 2x3y n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x3y n TYR 101 N 1.88 0.00 0.66 1.61 4.02 -1.25 -1.17 117.16 122.90 2x3y n TYR 101 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2x3y n TYR 101 Cb 0.00 -0.03 0.41 0.00 -0.02 0.00 0.00 39.34 39.70 2x3y n TYR 101 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2x3y n GLU 102 N -1.03 0.24 0.00 -0.72 2.13 -1.26 -3.59 120.64 116.41 2x3y n GLU 102 Ca 0.16 0.18 0.11 0.00 0.66 0.00 0.00 57.16 58.28 2x3y n GLU 102 Cb 0.09 -1.77 0.10 0.00 0.27 0.00 0.00 31.44 30.13 2x3y n GLU 102 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2x3y n LYS 103 N -2.18 0.04 -0.11 5.31 4.76 -0.32 -4.49 118.16 121.17 2x3y n LYS 103 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2x3y n LYS 103 Cb 0.42 -1.51 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 2x3y n LYS 103 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2x3y n LEU 104 N -1.57 -0.17 -0.10 -0.35 4.77 -1.24 -1.29 117.00 117.06 2x3y n LEU 104 Ca 0.05 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 2x3y n LEU 104 Cb 0.35 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2x3y n LEU 104 CO 0.38 -0.48 -1.13 0.49 -1.33 0.00 0.00 177.39 175.32 2x3y n PHE 105 N -4.46 0.00 -0.00 -1.77 3.01 -1.26 -4.16 117.46 108.82 2x3y n PHE 105 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.55 2x3y n PHE 105 Cb 0.13 -0.80 0.45 0.00 -0.01 0.00 0.00 39.48 39.24 2x3y n PHE 105 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2x3y h SER 106 N 0.00 0.43 -0.16 4.37 4.64 -1.64 0.16 113.55 121.35 2x3y h SER 106 Ca -0.46 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 2x3y h SER 106 Cb 1.82 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 2x3y h SER 106 CO -0.04 0.31 -0.34 -0.09 -0.87 0.00 0.00 176.83 175.80 2x3y h ARG 107 N 0.51 0.50 -0.80 4.77 2.43 -1.41 -2.28 114.38 118.10 2x3y h ARG 107 Ca 0.16 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2x3y h ARG 107 Cb 0.04 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2x3y h ARG 107 CO -0.04 0.94 0.52 1.96 -1.51 0.00 0.00 179.97 181.84 2x3y h GLN 108 N 0.13 0.99 -0.82 0.20 4.20 -1.58 -2.14 115.11 116.08 2x3y h GLN 108 Ca 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2x3y h GLN 108 Cb 0.94 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2x3y h GLN 108 CO 0.07 0.66 0.54 0.28 -0.67 0.00 0.00 178.83 179.71 2x3y h VAL 109 N 1.02 1.20 0.00 -0.54 2.07 -0.96 -2.20 116.25 116.84 2x3y h VAL 109 Ca 0.31 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 2x3y h VAL 109 Cb -0.03 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 2x3y h VAL 109 CO -0.10 0.20 -0.51 -0.61 0.02 0.00 0.00 177.57 176.58 2x3y h GLN 110 N 1.10 0.00 0.20 1.57 -0.00 -0.80 0.10 115.11 117.28 2x3y h GLN 110 Ca 0.30 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.60 2x3y h GLN 110 Cb -0.11 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.38 2x3y h GLN 110 CO -0.07 0.51 -1.72 0.00 0.00 0.00 0.00 178.83 177.55 2x3y h ALA 111 N 1.49 0.11 0.00 3.38 0.00 -1.07 -3.41 119.26 119.77 2x3y h ALA 111 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2x3y h ALA 111 Cb 1.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2x3y h ALA 111 CO 0.07 0.98 -1.41 1.28 0.00 0.00 0.00 179.25 180.17 2x3y n LEU 112 N -3.61 0.01 -4.77 0.00 4.77 -0.86 -5.01 117.00 107.54 2x3y n LEU 112 Ca -0.24 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.34 2x3y n LEU 112 Cb 1.08 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.16 2x3y n LEU 112 CO 0.53 0.00 0.94 -0.83 -1.33 0.00 0.00 177.39 176.70 2x3y s GLY 113 N -3.06 2.94 0.09 -0.72 0.00 0.36 -5.04 107.32 101.89 2x3y s GLY 113 Ca -0.03 1.19 0.05 0.00 0.00 0.00 0.00 44.72 45.94 2x3y s GLY 113 CO 0.39 1.79 -0.14 -1.31 0.00 0.00 0.00 173.10 173.83 2x3y s ASN 114 N -0.72 1.82 0.15 1.64 0.01 -1.26 -4.92 114.94 111.66 2x3y s ASN 114 Ca 0.54 -0.69 -0.34 0.00 -0.71 0.00 0.00 52.86 51.66 2x3y s ASN 114 Cb -0.37 -0.06 -0.16 0.00 0.41 0.00 0.00 41.25 41.07 2x3y s ASN 114 CO 0.48 -0.10 1.12 1.21 -1.51 0.00 0.00 177.10 178.31 2x3y n GLU 115 N 0.99 0.95 0.00 -0.60 2.13 -1.23 -0.97 120.64 121.91 2x3y n GLU 115 Ca -0.19 0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2x3y n GLU 115 Cb 0.55 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2x3y n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x3y n GLY 116 N 2.00 2.56 3.56 8.31 0.00 -0.79 -4.96 105.19 115.87 2x3y n GLY 116 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2x3y n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x3y s ASP 117 N -1.51 1.18 -0.03 1.61 1.01 -0.15 -4.63 116.67 114.15 2x3y s ASP 117 Ca 0.00 0.98 0.06 0.00 0.71 0.00 0.00 52.55 54.29 2x3y s ASP 117 Cb 0.00 -1.47 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 2x3y s ASP 117 CO 0.00 -4.00 -0.20 -0.69 0.21 0.00 0.00 175.17 170.49 2x3y s VAL 118 N -2.81 1.63 -0.18 -1.27 1.01 -0.35 -1.48 120.40 116.95 2x3y s VAL 118 Ca 0.68 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2x3y s VAL 118 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2x3y s VAL 118 CO 0.58 0.46 -0.06 -0.22 0.00 0.00 0.00 175.10 175.87 2x3y s LEU 119 N -0.26 2.97 -0.28 3.92 2.96 -0.02 0.12 118.68 128.09 2x3y s LEU 119 Ca 0.02 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2x3y s LEU 119 Cb -0.10 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 2x3y s LEU 119 CO 0.01 0.08 0.08 -0.63 -1.32 0.00 0.00 176.35 174.57 2x3y s ILE 120 N 0.88 4.10 -0.11 6.68 1.01 0.17 -0.46 121.20 133.46 2x3y s ILE 120 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2x3y s ILE 120 Cb -0.15 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 2x3y s ILE 120 CO 0.01 0.16 -0.17 -0.83 0.00 0.00 0.00 174.94 174.11 2x3y s GLY 121 N 1.54 1.46 -0.14 6.18 0.00 0.40 -0.91 107.32 115.86 2x3y s GLY 121 Ca 0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 44.72 43.78 2x3y s GLY 121 CO 0.03 -0.28 0.07 -0.19 0.00 0.00 0.00 173.10 172.73 2x3y s TYR 122 N 0.27 3.33 -0.26 1.90 2.02 0.10 -1.30 117.35 123.42 2x3y s TYR 122 Ca -0.12 0.25 -0.05 0.00 -0.37 0.00 0.00 57.07 56.78 2x3y s TYR 122 Cb -0.16 -1.97 0.14 0.00 -0.40 0.00 0.00 41.96 39.57 2x3y s TYR 122 CO 0.06 0.41 0.49 0.45 -1.57 0.00 0.00 175.55 175.40 2x3y s SER 123 N -0.35 -0.56 0.34 2.29 0.15 -0.75 -4.44 113.70 110.38 2x3y s SER 123 Ca 0.09 0.84 0.15 0.00 0.70 0.00 0.00 55.95 57.73 2x3y s SER 123 Cb -0.12 1.66 0.56 0.00 -1.71 0.00 0.00 66.02 66.42 2x3y s SER 123 CO 0.02 -0.26 1.69 0.71 1.20 0.00 0.00 173.24 176.60 2x3y h THR 124 N 6.10 1.11 0.00 6.45 1.35 -1.93 -3.05 112.91 122.94 2x3y h THR 124 Ca -0.19 -1.73 -0.12 0.00 -0.55 0.00 0.00 66.41 63.82 2x3y h THR 124 Cb 1.13 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 2x3y h THR 124 CO 0.20 0.45 -0.82 0.77 -0.25 0.00 0.00 175.52 175.88 2x3y h SER 125 N 0.00 0.00 0.00 5.36 4.64 -1.95 -3.30 113.55 118.30 2x3y h SER 125 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x3y h SER 125 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2x3y h SER 125 CO 0.06 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2x3y n GLY 126 N 1.28 0.96 0.00 -0.77 0.00 -1.15 -4.86 105.19 100.64 2x3y n GLY 126 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2x3y n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x3y n LYS 127 N -2.00 5.60 -1.33 1.61 5.02 -1.26 -3.88 118.16 121.91 2x3y n LYS 127 Ca 0.00 -0.00 -0.55 0.00 -2.02 0.00 0.00 58.31 55.73 2x3y n LYS 127 Cb 0.00 -0.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 2x3y n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2x3y n SER 128 N -1.11 1.18 -0.33 4.39 7.64 -1.26 -4.81 113.62 119.32 2x3y n SER 128 Ca 0.00 0.54 0.01 0.00 1.01 0.00 0.00 58.87 60.43 2x3y n SER 128 Cb 0.04 -1.03 0.14 0.00 -1.01 0.00 0.00 64.21 62.36 2x3y n SER 128 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2x3y h PRO 129 N 10.46 1.04 0.00 1.43 0.11 -1.98 -1.43 132.00 141.64 2x3y h PRO 129 Ca -0.15 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 2x3y h PRO 129 Cb 1.38 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2x3y h PRO 129 CO 1.09 0.69 -0.33 -2.95 -0.21 0.00 0.00 178.00 176.29 2x3y h ASN 130 N 1.07 0.00 -0.09 -2.05 7.08 -1.87 -1.16 115.58 118.55 2x3y h ASN 130 Ca 0.39 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.54 2x3y h ASN 130 Cb 0.12 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.36 2x3y h ASN 130 CO -0.16 0.33 -0.21 0.40 -2.08 0.00 0.00 177.43 175.71 2x3y h ILE 131 N 0.00 1.40 -0.57 6.14 1.08 -1.65 -2.35 117.51 121.56 2x3y h ILE 131 Ca -0.00 -1.52 -0.02 0.00 -0.39 0.00 0.00 64.86 62.92 2x3y h ILE 131 Cb 0.82 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 2x3y h ILE 131 CO 0.04 0.44 0.27 -0.07 -0.69 0.00 0.00 178.15 178.14 2x3y h LEU 132 N -0.15 0.76 -1.22 1.44 3.38 -1.11 -1.34 115.31 117.07 2x3y h LEU 132 Ca 0.00 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2x3y h LEU 132 Cb 0.81 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2x3y h LEU 132 CO 0.05 0.68 0.53 0.00 0.09 0.00 0.00 178.44 179.79 2x3y h ALA 133 N 1.10 1.44 -0.87 1.53 0.00 -1.27 -1.04 119.26 120.15 2x3y h ALA 133 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2x3y h ALA 133 Cb 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2x3y h ALA 133 CO -0.02 0.52 0.57 0.00 0.00 0.00 0.00 179.25 180.31 2x3y h ALA 134 N 1.51 1.14 -0.57 0.00 0.00 -0.70 -2.22 119.26 118.41 2x3y h ALA 134 Ca 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2x3y h ALA 134 Cb -0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2x3y h ALA 134 CO -0.06 0.43 0.22 0.74 0.00 0.00 0.00 179.25 180.58 2x3y h PHE 135 N 1.11 0.87 -0.14 0.00 0.04 -0.40 -0.31 116.94 118.12 2x3y h PHE 135 Ca 0.34 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 61.06 2x3y h PHE 135 Cb -0.03 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 2x3y h PHE 135 CO -0.02 0.71 0.02 0.00 -0.60 0.00 0.00 178.31 178.42 2x3y h ARG 136 N 0.78 0.07 0.08 1.51 3.08 -1.08 0.08 114.38 118.91 2x3y h ARG 136 Ca 0.19 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2x3y h ARG 136 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2x3y h ARG 136 CO -0.01 0.05 -0.04 1.49 -1.07 0.00 0.00 179.97 180.39 2x3y h GLU 137 N 0.08 -0.10 -0.35 0.04 4.57 -1.27 -1.92 114.58 115.62 2x3y h GLU 137 Ca 0.06 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 2x3y h GLU 137 Cb 0.06 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.59 2x3y h GLU 137 CO -0.09 -0.06 -0.30 0.00 -1.18 0.00 0.00 179.01 177.38 2x3y h ALA 138 N 0.80 -0.16 -0.79 2.92 0.00 -0.82 -1.52 119.26 119.69 2x3y h ALA 138 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2x3y h ALA 138 Cb 0.09 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2x3y h ALA 138 CO 0.02 -0.71 0.40 -0.22 0.00 0.00 0.00 179.25 178.74 2x3y h LYS 139 N -0.25 1.12 0.00 0.00 3.64 -0.87 -1.58 116.57 118.63 2x3y h LYS 139 Ca 0.16 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2x3y h LYS 139 Cb 0.52 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2x3y h LYS 139 CO -0.49 0.85 -0.12 0.00 -2.27 0.00 0.00 179.45 177.41 2x3y h ALA 140 N 1.32 1.21 -0.02 5.00 0.00 -0.61 -1.35 119.26 124.80 2x3y h ALA 140 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2x3y h ALA 140 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2x3y h ALA 140 CO -0.04 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.00 2x3y n LYS 141 N -3.54 1.61 -1.61 0.00 5.02 -0.64 -4.92 118.16 114.08 2x3y n LYS 141 Ca -0.01 -0.89 -0.01 0.00 -2.02 0.00 0.00 58.31 55.38 2x3y n LYS 141 Cb 0.26 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2x3y n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x3y n GLY 142 N 1.16 0.38 3.91 0.72 0.00 -0.51 -3.55 105.19 107.30 2x3y n GLY 142 Ca 0.19 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 2x3y n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x3y s MET 143 N -3.23 3.61 0.17 1.61 -1.94 -0.68 -1.88 119.30 116.96 2x3y s MET 143 Ca 0.00 -0.03 -0.28 0.00 -1.71 0.00 0.00 55.69 53.67 2x3y s MET 143 Cb 0.00 -2.65 -0.08 0.00 2.01 0.00 0.00 34.83 34.12 2x3y s MET 143 CO 0.00 0.21 0.88 0.99 -0.01 0.00 0.00 175.02 177.08 2x3y s THR 144 N -2.11 4.33 -0.26 2.05 2.01 -0.55 -4.23 115.64 116.88 2x3y s THR 144 Ca 0.43 1.92 -0.06 0.00 0.31 0.00 0.00 61.69 64.29 2x3y s THR 144 Cb -0.11 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2x3y s THR 144 CO 0.31 0.45 0.05 0.00 -0.69 0.00 0.00 174.62 174.73 2x3y s VAL 146 N 1.54 2.69 0.07 0.00 1.01 0.39 -1.02 120.40 125.08 2x3y s VAL 146 Ca 0.05 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2x3y s VAL 146 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2x3y s VAL 146 CO 0.01 0.51 -0.08 -0.83 0.00 0.00 0.00 175.10 174.72 2x3y s GLY 147 N 0.87 1.80 -0.18 4.51 0.00 0.37 -0.45 107.32 114.23 2x3y s GLY 147 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2x3y s GLY 147 CO -0.01 -1.10 -0.09 -1.36 0.00 0.00 0.00 173.10 170.55 2x3y s PHE 148 N -1.16 2.11 0.07 1.90 0.08 -0.42 -1.23 117.98 119.33 2x3y s PHE 148 Ca 0.21 -1.36 0.01 0.00 0.12 0.00 0.00 56.93 55.91 2x3y s PHE 148 Cb -0.11 -1.51 -0.00 0.00 -0.57 0.00 0.00 43.02 40.83 2x3y s PHE 148 CO 0.13 -0.69 0.08 -2.37 -0.10 0.00 0.00 175.22 172.27 2x3y n THR 149 N 4.77 0.00 -0.69 0.64 5.66 0.16 -1.80 114.28 123.02 2x3y n THR 149 Ca -0.14 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 2x3y n THR 149 Cb 0.47 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 2x3y n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2x3y n GLY 150 N -0.12 1.63 1.47 1.09 0.00 -1.25 -1.24 105.19 106.78 2x3y n GLY 150 Ca 0.01 -1.78 0.05 0.00 0.00 0.00 0.00 46.02 44.30 2x3y n GLY 150 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x3y n ASN 151 N 0.00 4.32 -3.83 1.61 0.23 -0.32 -3.74 115.26 113.52 2x3y n ASN 151 Ca 0.00 -2.63 -0.28 0.00 -0.53 0.00 0.00 54.58 51.14 2x3y n ASN 151 Cb 0.00 -0.62 -0.16 0.00 -2.08 0.00 0.00 39.78 36.92 2x3y n ASN 151 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2x3y s ARG 152 N -2.21 1.13 -0.08 -3.83 0.52 -1.26 -4.99 118.95 108.22 2x3y s ARG 152 Ca 0.39 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 55.01 2x3y s ARG 152 Cb 0.29 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 2x3y s ARG 152 CO 0.12 -0.52 -0.16 0.41 0.02 0.00 0.00 175.30 175.17 2x3y n GLY 153 N 4.93 -0.53 3.50 -3.53 0.00 -1.26 -4.35 105.19 103.94 2x3y n GLY 153 Ca -0.10 -0.15 -0.51 0.00 0.00 0.00 0.00 46.02 45.26 2x3y n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3y n GLY 154 N 1.50 -0.61 0.21 -0.02 0.00 -1.26 -1.52 105.19 103.49 2x3y n GLY 154 Ca -0.06 0.52 0.13 0.00 0.00 0.00 0.00 46.02 46.61 2x3y n GLY 154 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x3y n GLU 155 N 1.39 0.81 0.28 1.61 1.02 -1.25 -4.82 120.64 119.68 2x3y n GLU 155 Ca 0.17 -0.42 0.15 0.00 -0.02 0.00 0.00 57.16 57.04 2x3y n GLU 155 Cb 0.21 -1.49 0.82 0.00 -0.02 0.00 0.00 31.44 30.95 2x3y n GLU 155 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2x3y h MET 156 N 1.02 0.00 -0.33 3.49 2.86 -1.48 -1.30 114.93 119.20 2x3y h MET 156 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x3y h MET 156 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2x3y h MET 156 CO 0.00 0.00 0.22 -0.09 1.06 0.00 0.00 176.91 178.10 2x3y h ARG 157 N 0.00 0.43 0.00 1.72 2.43 -1.89 0.17 114.38 117.24 2x3y h ARG 157 Ca 0.00 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2x3y h ARG 157 Cb 0.39 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2x3y h ARG 157 CO 0.00 0.28 -1.19 1.05 -1.51 0.00 0.00 179.97 178.61 2x3y h GLU 158 N 0.44 0.00 0.09 0.20 9.09 -1.64 -3.37 114.58 119.39 2x3y h GLU 158 Ca 0.12 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.26 2x3y h GLU 158 Cb -0.05 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.07 2x3y h GLU 158 CO -0.03 0.21 -1.17 -0.07 0.05 0.00 0.00 179.01 178.01 2x3y h LEU 159 N 0.00 0.66 -9.77 3.06 3.38 -1.21 -3.45 115.31 107.97 2x3y h LEU 159 Ca -0.10 -0.61 -0.56 0.00 0.09 0.00 0.00 57.88 56.70 2x3y h LEU 159 Cb 1.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2x3y h LEU 159 CO 0.03 1.44 -0.05 0.00 0.09 0.00 0.00 178.44 179.95 2x3y h ASP 161 N 4.05 0.00 -3.54 0.00 3.32 -1.39 -3.45 116.42 115.41 2x3y h ASP 161 Ca -0.49 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.28 2x3y h ASP 161 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 2x3y h ASP 161 CO 0.64 0.78 -0.70 -0.76 -1.72 0.00 0.00 179.24 177.48 2x3y s LEU 162 N -7.23 1.13 -0.07 1.55 1.43 -0.77 -5.03 118.68 109.69 2x3y s LEU 162 Ca -0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2x3y s LEU 162 Cb 0.12 0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.39 2x3y s LEU 162 CO 0.79 -0.12 -0.05 -0.22 0.23 0.00 0.00 176.35 176.98 2x3y s LEU 163 N 0.94 1.11 -0.26 1.79 2.96 -1.26 -0.48 118.68 123.49 2x3y s LEU 163 Ca -0.08 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 2x3y s LEU 163 Cb -0.11 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 2x3y s LEU 163 CO -0.03 -0.10 0.11 -0.76 -1.32 0.00 0.00 176.35 174.25 2x3y s LEU 164 N 1.38 3.64 -0.36 -0.68 1.43 -0.36 -4.98 118.68 118.74 2x3y s LEU 164 Ca -0.03 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2x3y s LEU 164 Cb -0.13 -1.99 0.08 0.00 0.03 0.00 0.00 46.19 44.18 2x3y s LEU 164 CO -0.03 -0.03 0.12 -1.61 0.23 0.00 0.00 176.35 175.03 2x3y s GLU 165 N 1.61 2.22 0.05 1.70 2.02 -1.26 -0.66 118.70 124.38 2x3y s GLU 165 Ca 0.06 -1.56 -0.31 0.00 0.02 0.00 0.00 54.97 53.19 2x3y s GLU 165 Cb -0.15 -3.44 -0.08 0.00 0.10 0.00 0.00 34.13 30.57 2x3y s GLU 165 CO 0.06 -0.87 1.58 0.08 0.02 0.00 0.00 175.26 176.13 2x3y s VAL 166 N 1.21 3.21 -0.66 2.63 1.01 -0.37 -4.84 120.40 122.58 2x3y s VAL 166 Ca 0.03 0.65 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 2x3y s VAL 166 Cb -0.21 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 2x3y s VAL 166 CO -0.02 -0.00 1.83 -0.81 0.00 0.00 0.00 175.10 176.09 2x3y n PRO 167 N 5.49 1.47 -3.70 2.72 -0.04 -1.26 -2.41 135.00 137.27 2x3y n PRO 167 Ca 0.15 -1.29 -0.10 0.00 -0.04 0.00 0.00 63.50 62.22 2x3y n PRO 167 Cb 0.41 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.40 2x3y n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2x3y s SER 168 N 4.13 -0.24 0.00 3.54 0.15 -1.26 -4.87 113.70 115.15 2x3y s SER 168 Ca 0.35 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.58 2x3y s SER 168 Cb 0.09 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 2x3y s SER 168 CO 0.01 -0.97 0.22 0.00 1.20 0.00 0.00 173.24 173.71 2x3y n ALA 169 N -0.29 2.29 -2.61 5.45 0.00 -1.26 -1.18 120.51 122.91 2x3y n ALA 169 Ca -0.12 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 2x3y n ALA 169 Cb 0.63 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 2x3y n ALA 169 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3y s ASP 170 N -0.81 6.45 0.17 0.00 2.15 -1.26 -5.00 116.67 118.38 2x3y s ASP 170 Ca 0.01 0.50 -0.26 0.00 0.43 0.00 0.00 52.55 53.23 2x3y s ASP 170 Cb 0.01 -2.29 0.03 0.00 -0.30 0.00 0.00 42.92 40.37 2x3y s ASP 170 CO 0.05 -0.34 1.57 0.74 -0.17 0.00 0.00 175.17 177.02 2x3y h THR 171 N 5.43 0.09 -0.63 1.71 2.02 -1.94 -0.91 112.91 118.68 2x3y h THR 171 Ca -0.28 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.02 2x3y h THR 171 Cb 1.13 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 2x3y h THR 171 CO 0.74 0.00 0.16 -0.65 0.37 0.00 0.00 175.52 176.13 2x3y h PRO 172 N -0.24 0.28 -0.42 6.66 0.11 -2.00 -0.51 132.00 135.89 2x3y h PRO 172 Ca 0.17 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 2x3y h PRO 172 Cb 0.56 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2x3y h PRO 172 CO -0.68 0.19 -0.18 0.87 -0.21 0.00 0.00 178.00 177.98 2x3y h LYS 173 N 0.29 0.80 -0.76 1.05 1.79 -1.64 -1.47 116.57 116.62 2x3y h LYS 173 Ca 0.34 -0.30 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 2x3y h LYS 173 Cb 0.51 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 2x3y h LYS 173 CO -0.41 0.92 0.26 0.82 -1.08 0.00 0.00 179.45 179.96 2x3y h ILE 174 N 0.71 1.26 -0.14 1.86 2.04 -0.25 -1.79 117.51 121.20 2x3y h ILE 174 Ca 0.10 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2x3y h ILE 174 Cb 0.69 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2x3y h ILE 174 CO 0.05 0.35 0.03 1.56 0.00 0.00 0.00 178.15 180.15 2x3y h GLN 175 N 1.13 0.23 -0.87 2.37 4.20 -0.72 -1.25 115.11 120.20 2x3y h GLN 175 Ca 0.25 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 59.07 2x3y h GLN 175 Cb 0.28 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 2x3y h GLN 175 CO -0.01 0.39 0.43 0.93 -0.67 0.00 0.00 178.83 179.90 2x3y h GLU 176 N 0.03 0.54 -0.59 1.46 5.08 -1.13 -0.45 114.58 119.52 2x3y h GLU 176 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2x3y h GLU 176 Cb 0.26 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2x3y h GLU 176 CO 0.00 0.36 0.27 0.78 -1.00 0.00 0.00 179.01 179.42 2x3y h GLY 177 N 0.56 0.93 0.90 -3.84 0.00 -0.81 -2.60 103.07 98.21 2x3y h GLY 177 Ca 0.50 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2x3y h GLY 177 CO -0.41 0.45 0.28 0.45 0.00 0.00 0.00 176.54 177.31 2x3y h HIS 178 N 0.81 0.52 -0.23 5.60 3.86 0.05 -0.59 115.15 125.18 2x3y h HIS 178 Ca 0.20 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 2x3y h HIS 178 Cb 0.15 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 2x3y h HIS 178 CO 0.00 0.30 -0.04 1.25 0.86 0.00 0.00 177.93 180.30 2x3y h LEU 179 N 0.56 -0.18 -0.19 2.43 5.85 -1.17 0.29 115.31 122.90 2x3y h LEU 179 Ca 0.18 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2x3y h LEU 179 Cb 0.01 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2x3y h LEU 179 CO -0.08 -0.06 0.00 0.58 -0.34 0.00 0.00 178.44 178.54 2x3y h VAL 180 N 0.01 0.87 -0.02 1.05 2.07 -1.06 -0.80 116.25 118.37 2x3y h VAL 180 Ca 0.11 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 2x3y h VAL 180 Cb 0.16 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2x3y h VAL 180 CO -0.22 0.01 -0.54 -0.07 0.02 0.00 0.00 177.57 176.77 2x3y h LEU 181 N 0.06 0.05 -0.07 2.57 3.38 -0.95 -2.84 115.31 117.51 2x3y h LEU 181 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2x3y h LEU 181 Cb 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2x3y h LEU 181 CO -0.15 0.58 0.02 1.23 0.09 0.00 0.00 178.44 180.21 2x3y h GLY 182 N 1.58 0.13 0.02 0.83 0.00 0.12 -1.76 103.07 103.98 2x3y h GLY 182 Ca -0.00 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.34 2x3y h GLY 182 CO 0.07 0.07 -0.14 0.45 0.00 0.00 0.00 176.54 176.99 2x3y h HIS 183 N -0.08 -0.33 -0.56 5.60 3.86 -1.11 -0.79 115.15 121.74 2x3y h HIS 183 Ca 0.02 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2x3y h HIS 183 Cb 0.22 0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 2x3y h HIS 183 CO -0.00 -0.23 0.30 0.82 0.86 0.00 0.00 177.93 179.68 2x3y h ILE 184 N -0.03 0.98 -0.98 2.45 2.04 -1.31 0.12 117.51 120.78 2x3y h ILE 184 Ca 0.22 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2x3y h ILE 184 Cb 0.38 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2x3y h ILE 184 CO -0.50 0.11 0.65 0.58 0.00 0.00 0.00 178.15 178.99 2x3y h VAL 185 N 0.58 1.23 0.66 1.67 2.07 -0.64 -0.28 116.25 121.55 2x3y h VAL 185 Ca 0.24 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2x3y h VAL 185 Cb 0.13 -0.19 0.01 0.00 -1.52 0.00 0.00 31.29 29.71 2x3y h VAL 185 CO -0.15 0.24 -0.32 0.00 0.02 0.00 0.00 177.57 177.36 2x3y h GLY 187 N -0.89 -0.01 1.00 0.00 0.00 -0.40 0.14 103.07 102.92 2x3y h GLY 187 Ca -0.09 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2x3y h GLY 187 CO 0.15 -0.21 0.39 1.41 0.00 0.00 0.00 176.54 178.28 2x3y h LEU 188 N -0.16 0.69 -0.13 3.11 3.38 -0.94 0.20 115.31 121.47 2x3y h LEU 188 Ca 0.22 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2x3y h LEU 188 Cb 0.51 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2x3y h LEU 188 CO -0.59 0.51 -0.10 0.58 0.09 0.00 0.00 178.44 178.93 2x3y h VAL 189 N 0.81 1.34 -0.45 1.22 2.07 -0.53 -0.74 116.25 119.98 2x3y h VAL 189 Ca 0.22 -1.22 0.09 0.00 0.82 0.00 0.00 66.70 66.60 2x3y h VAL 189 Cb -0.09 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 2x3y h VAL 189 CO -0.05 0.35 -0.01 -0.08 0.02 0.00 0.00 177.57 177.81 2x3y h GLU 190 N -0.08 0.10 -0.21 1.57 4.81 -0.58 -2.10 114.58 118.09 2x3y h GLU 190 Ca 0.02 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2x3y h GLU 190 Cb 0.61 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2x3y h GLU 190 CO 0.03 0.06 -0.12 1.25 -0.73 0.00 0.00 179.01 179.50 2x3y h HIS 191 N 0.10 0.53 -0.91 0.92 2.76 -0.89 -1.18 115.15 116.48 2x3y h HIS 191 Ca 0.22 -0.14 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2x3y h HIS 191 Cb 0.33 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.11 2x3y h HIS 191 CO -0.30 0.76 0.59 1.03 -1.30 0.00 0.00 177.93 178.70 2x3y h SER 192 N 0.15 0.97 0.22 3.26 0.87 -0.98 0.24 113.55 118.28 2x3y h SER 192 Ca 0.04 -0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.25 2x3y h SER 192 Cb 0.63 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2x3y h SER 192 CO 0.04 0.66 -1.67 0.40 -0.53 0.00 0.00 176.83 175.72 2x3y h ILE 193 N 1.12 1.04 -0.03 2.23 2.04 -1.38 -3.40 117.51 119.14 2x3y h ILE 193 Ca 0.37 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2x3y h ILE 193 Cb 0.03 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2x3y h ILE 193 CO -0.13 0.85 0.00 0.49 0.00 0.00 0.00 178.15 179.36 2x3y n PHE 194 N -3.62 0.03 0.69 1.37 0.99 -0.45 -5.11 117.46 111.36 2x3y n PHE 194 Ca -0.22 -0.24 0.06 0.00 -0.00 0.00 0.00 57.45 57.04 2x3y n PHE 194 Cb 1.08 -0.02 0.33 0.00 -1.00 0.00 0.00 39.48 39.87 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17