#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 0.67 -0.87 -0.14 5.08 -2.05 -0.84 114.58 116.43 2x3y h GLU 5 Ca 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2x3y h GLU 5 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2x3y h GLU 5 CO 0.00 0.63 0.49 1.25 -1.00 0.00 0.00 179.01 180.38 2x3y h LEU 6 N 0.57 1.08 -0.33 1.33 5.85 -2.05 -1.45 115.31 120.30 2x3y h LEU 6 Ca 0.15 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2x3y h LEU 6 Cb 0.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2x3y h LEU 6 CO -0.01 0.86 0.18 0.74 -0.34 0.00 0.00 178.44 179.86 2x3y h THR 7 N 1.21 1.01 -0.59 1.05 2.02 -1.89 0.21 112.91 115.93 2x3y h THR 7 Ca 0.31 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.38 2x3y h THR 7 Cb 0.01 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2x3y h THR 7 CO -0.05 0.07 0.38 0.22 0.37 0.00 0.00 175.52 176.51 2x3y h TYR 8 N 0.37 0.72 0.30 3.16 3.20 -0.80 -0.11 116.97 123.80 2x3y h TYR 8 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2x3y h TYR 8 Cb 0.03 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2x3y h TYR 8 CO -0.09 0.44 -0.14 0.82 -1.64 0.00 0.00 178.16 177.55 2x3y h ILE 9 N 0.77 0.72 -0.44 1.81 2.04 -0.88 -2.12 117.51 119.40 2x3y h ILE 9 Ca 0.22 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 2x3y h ILE 9 Cb -0.05 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2x3y h ILE 9 CO -0.06 0.01 0.13 0.71 0.00 0.00 0.00 178.15 178.94 2x3y h THR 10 N -0.43 1.22 -0.97 -0.27 1.35 -0.78 -2.60 112.91 110.44 2x3y h THR 10 Ca -0.04 -0.75 0.08 0.00 -0.55 0.00 0.00 66.41 65.15 2x3y h THR 10 Cb 0.33 0.87 -0.07 0.00 -1.73 0.00 0.00 68.15 67.55 2x3y h THR 10 CO 0.07 0.27 0.61 0.78 -0.25 0.00 0.00 175.52 177.00 2x3y h ASN 11 N 0.58 0.96 -0.50 5.36 2.35 -1.00 0.99 115.58 124.32 2x3y h ASN 11 Ca 0.14 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 2x3y h ASN 11 Cb 0.27 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2x3y h ASN 11 CO -0.00 0.58 0.04 0.28 -1.65 0.00 0.00 177.43 176.68 2x3y h SER 12 N 1.08 0.82 -0.43 5.81 0.02 -1.08 0.42 113.55 120.20 2x3y h SER 12 Ca 0.44 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 2x3y h SER 12 Cb 0.26 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2x3y h SER 12 CO -0.20 0.90 -0.19 0.40 -1.14 0.00 0.00 176.83 176.60 2x3y h ILE 13 N 0.72 1.28 -0.46 3.27 2.04 -1.12 -2.68 117.51 120.56 2x3y h ILE 13 Ca 0.15 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 2x3y h ILE 13 Cb 0.46 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2x3y h ILE 13 CO 0.02 0.45 0.28 0.00 0.00 0.00 0.00 178.15 178.90 2x3y h ALA 14 N 0.83 0.58 -0.97 1.87 0.00 -0.58 -1.41 119.26 119.58 2x3y h ALA 14 Ca 0.10 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2x3y h ALA 14 Cb 0.75 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2x3y h ALA 14 CO 0.06 0.06 0.63 1.49 0.00 0.00 0.00 179.25 181.49 2x3y h GLU 15 N 0.61 1.18 -0.31 0.00 4.57 -0.93 -1.33 114.58 118.37 2x3y h GLU 15 Ca 0.16 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2x3y h GLU 15 Cb -0.02 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 2x3y h GLU 15 CO -0.03 0.78 0.04 0.00 -1.18 0.00 0.00 179.01 178.62 2x3y h ALA 16 N 1.41 0.41 -0.57 2.92 0.00 -1.03 -1.66 119.26 120.74 2x3y h ALA 16 Ca 0.40 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2x3y h ALA 16 Cb 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2x3y h ALA 16 CO -0.13 0.11 0.02 0.37 0.00 0.00 0.00 179.25 179.62 2x3y h GLN 17 N 0.33 0.14 -0.48 0.00 4.15 -1.04 -2.31 115.11 115.90 2x3y h GLN 17 Ca 0.09 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.54 2x3y h GLN 17 Cb 0.36 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2x3y h GLN 17 CO 0.01 0.09 0.25 -0.09 -1.93 0.00 0.00 178.83 177.15 2x3y h ARG 18 N 0.14 0.47 -0.10 1.69 2.43 -0.82 -1.48 114.38 116.71 2x3y h ARG 18 Ca 0.29 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2x3y h ARG 18 Cb 0.46 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2x3y h ARG 18 CO -0.46 0.31 -0.11 0.28 -1.51 0.00 0.00 179.97 178.48 2x3y h VAL 19 N 0.48 0.70 -0.51 0.20 2.07 -1.01 0.80 116.25 118.99 2x3y h VAL 19 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 2x3y h VAL 19 Cb 0.11 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2x3y h VAL 19 CO -0.14 0.00 0.18 0.24 0.02 0.00 0.00 177.57 177.86 2x3y h MET 20 N -0.14 0.34 -0.44 1.57 2.86 -1.16 -0.60 114.93 117.37 2x3y h MET 20 Ca 0.07 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2x3y h MET 20 Cb 0.24 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2x3y h MET 20 CO -0.18 0.23 0.20 0.00 1.06 0.00 0.00 176.91 178.21 2x3y h ALA 21 N 1.35 0.54 -0.37 6.32 0.00 -0.77 -0.02 119.26 126.30 2x3y h ALA 21 Ca 0.25 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2x3y h ALA 21 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2x3y h ALA 21 CO -0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 179.25 178.77 2x3y h ALA 22 N 1.25 1.21 -0.35 0.00 0.00 -0.19 -2.21 119.26 118.97 2x3y h ALA 22 Ca 0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2x3y h ALA 22 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x3y h ALA 22 CO -0.16 0.51 -0.43 0.52 0.00 0.00 0.00 179.25 179.69 2x3y h MET 23 N 0.58 0.91 0.00 0.00 2.86 -0.71 -2.80 114.93 115.76 2x3y h MET 23 Ca 0.11 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 2x3y h MET 23 Cb 0.45 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2x3y h MET 23 CO 0.02 1.16 -0.03 1.25 1.06 0.00 0.00 176.91 180.37 2x3y h LEU 24 N 0.72 0.00 -1.86 1.22 5.85 -0.43 -2.35 115.31 118.46 2x3y h LEU 24 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2x3y h LEU 24 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2x3y h LEU 24 CO 0.10 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 2x3y n ALA 25 N -2.45 2.47 -3.29 1.25 0.00 -0.90 -4.78 120.51 112.81 2x3y n ALA 25 Ca -0.03 -0.76 -0.46 0.00 0.00 0.00 0.00 53.44 52.19 2x3y n ALA 25 Cb 0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.75 6.55 0.38 0.00 -1.08 -0.89 -4.92 116.67 114.96 2x3y s ASP 26 Ca 0.34 -2.31 0.09 0.00 -0.52 0.00 0.00 52.55 50.15 2x3y s ASP 26 Cb 0.21 -2.23 0.74 0.00 -1.46 0.00 0.00 42.92 40.19 2x3y s ASP 26 CO 0.31 -0.72 1.90 -0.33 0.52 0.00 0.00 175.17 176.85 2x3y h GLU 27 N 8.26 0.27 -0.41 4.34 5.08 -1.86 -1.94 114.58 128.32 2x3y h GLU 27 Ca -0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2x3y h GLU 27 Cb 1.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2x3y h GLU 27 CO 0.88 0.41 0.07 -0.09 -1.00 0.00 0.00 179.01 179.28 2x3y h ARG 28 N 0.26 0.68 0.10 2.33 2.43 -1.96 -2.16 114.38 116.06 2x3y h ARG 28 Ca 0.05 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2x3y h ARG 28 Cb 0.39 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2x3y h ARG 28 CO 0.02 0.72 -0.17 1.25 -1.51 0.00 0.00 179.97 180.29 2x3y h LEU 29 N 0.54 -0.47 -0.76 3.80 6.46 -1.73 -1.07 115.31 122.08 2x3y h LEU 29 Ca 0.13 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 2x3y h LEU 29 Cb 0.37 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 2x3y h LEU 29 CO 0.01 -0.25 0.44 -0.07 -0.62 0.00 0.00 178.44 177.95 2x3y h LEU 30 N -0.33 0.66 -1.37 2.25 3.38 -1.34 0.19 115.31 118.74 2x3y h LEU 30 Ca 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2x3y h LEU 30 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2x3y h LEU 30 CO -0.09 0.41 0.14 0.00 0.09 0.00 0.00 178.44 178.99 2x3y h ALA 31 N 1.39 1.51 -0.29 1.53 0.00 -1.08 -2.23 119.26 120.09 2x3y h ALA 31 Ca 0.34 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2x3y h ALA 31 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2x3y h ALA 31 CO -0.20 0.38 -0.47 1.15 0.00 0.00 0.00 179.25 180.11 2x3y h THR 32 N 0.56 1.28 -0.45 0.00 2.02 0.25 -2.45 112.91 114.13 2x3y h THR 32 Ca 0.14 -1.65 0.08 0.00 0.77 0.00 0.00 66.41 65.75 2x3y h THR 32 Cb 0.14 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 2x3y h THR 32 CO -0.01 0.54 0.04 0.58 0.37 0.00 0.00 175.52 177.04 2x3y h VAL 33 N 0.61 0.70 -0.43 3.16 2.07 -0.72 -0.39 116.25 121.25 2x3y h VAL 33 Ca 0.02 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2x3y h VAL 33 Cb 1.07 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 2x3y h VAL 33 CO 0.11 0.03 -0.11 -0.09 0.02 0.00 0.00 177.57 177.53 2x3y h ARG 34 N 0.16 0.00 -0.37 1.57 9.65 -1.28 -2.39 114.38 121.73 2x3y h ARG 34 Ca 0.23 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.00 2x3y h ARG 34 Cb 0.32 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 2x3y h ARG 34 CO -0.34 0.00 -0.18 0.87 2.80 0.00 0.00 179.97 183.12 2x3y h LYS 35 N 0.00 0.70 -0.16 0.20 1.57 -0.76 -1.05 116.57 117.07 2x3y h LYS 35 Ca 0.21 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2x3y h LYS 35 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2x3y h LYS 35 CO -0.44 0.84 0.09 0.28 -0.57 0.00 0.00 179.45 179.64 2x3y h VAL 36 N 0.62 1.09 -0.54 0.50 2.07 -0.83 0.12 116.25 119.27 2x3y h VAL 36 Ca 0.10 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2x3y h VAL 36 Cb 0.66 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2x3y h VAL 36 CO 0.05 0.08 0.22 0.00 0.02 0.00 0.00 177.57 177.94 2x3y h ALA 37 N 1.00 0.69 -0.51 1.67 0.00 -1.13 -1.78 119.26 119.20 2x3y h ALA 37 Ca 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2x3y h ALA 37 Cb 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2x3y h ALA 37 CO -0.01 -0.17 0.18 -0.44 0.00 0.00 0.00 179.25 178.80 2x3y h ASP 38 N 0.41 0.67 -0.16 0.00 3.32 -0.64 -0.79 116.42 119.23 2x3y h ASP 38 Ca 0.26 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2x3y h ASP 38 Cb 0.27 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2x3y h ASP 38 CO -0.24 0.63 0.09 0.00 -1.72 0.00 0.00 179.24 177.99 2x3y h ALA 39 N 1.47 0.21 -0.53 3.45 0.00 0.05 -1.27 119.26 122.64 2x3y h ALA 39 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2x3y h ALA 39 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2x3y h ALA 39 CO -0.01 -0.26 0.22 0.00 0.00 0.00 0.00 179.25 179.20 2x3y h ILE 41 N 0.71 0.98 -0.23 0.00 2.04 -0.98 -0.76 117.51 119.27 2x3y h ILE 41 Ca 0.18 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.72 2x3y h ILE 41 Cb 0.18 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2x3y h ILE 41 CO -0.02 0.08 -0.54 0.00 0.00 0.00 0.00 178.15 177.67 2x3y h ALA 42 N 1.22 0.62 0.30 1.87 0.00 -1.02 -0.04 119.26 122.22 2x3y h ALA 42 Ca 0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2x3y h ALA 42 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2x3y h ALA 42 CO -0.12 0.69 -0.15 1.03 0.00 0.00 0.00 179.25 180.70 2x3y h SER 43 N 0.52 -0.34 -1.00 0.00 0.87 -1.02 -2.66 113.55 109.92 2x3y h SER 43 Ca 0.01 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2x3y h SER 43 Cb 1.11 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 2x3y h SER 43 CO 0.11 -0.16 0.66 0.40 -0.53 0.00 0.00 176.83 177.30 2x3y h ILE 44 N -0.50 1.20 0.00 2.23 2.04 -1.05 0.19 117.51 121.61 2x3y h ILE 44 Ca -0.04 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2x3y h ILE 44 Cb 0.38 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2x3y h ILE 44 CO 0.07 0.24 -0.04 0.00 0.00 0.00 0.00 178.15 178.41 2x3y h ALA 45 N 1.40 1.14 -0.37 1.87 0.00 -0.84 -1.43 119.26 121.03 2x3y h ALA 45 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2x3y h ALA 45 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2x3y h ALA 45 CO -0.11 0.05 0.00 0.94 0.00 0.00 0.00 179.25 180.13 2x3y n GLN 46 N -3.34 2.33 0.00 0.00 0.00 -0.80 -4.93 117.38 110.64 2x3y n GLN 46 Ca -0.02 -2.13 0.00 0.00 -0.00 0.00 0.00 57.00 54.86 2x3y n GLN 46 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 28.99 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 1.19 0.92 1.29 1.69 0.00 -0.54 -5.08 105.19 104.66 2x3y n GLY 47 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.60 -0.19 3.29 -0.02 0.00 0.61 -4.95 105.19 102.32 2x3y n GLY 48 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.60 1.29 -0.15 1.61 -2.85 -1.26 -4.30 119.74 110.47 2x3y s LYS 49 Ca 0.23 -1.56 -0.01 0.00 -1.00 0.00 0.00 55.97 53.64 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 0.16 -0.45 -0.11 0.08 0.10 0.00 0.00 175.35 175.12 2x3y s VAL 50 N -4.11 3.10 0.01 1.79 1.01 -0.62 -1.30 120.40 120.28 2x3y s VAL 50 Ca 0.35 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2x3y s VAL 50 Cb 0.05 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2x3y s VAL 50 CO 0.12 0.50 0.00 -0.76 0.00 0.00 0.00 175.10 174.96 2x3y s LEU 51 N 0.64 3.50 0.02 3.92 1.43 0.64 -0.45 118.68 128.39 2x3y s LEU 51 Ca -0.06 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2x3y s LEU 51 Cb -0.15 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2x3y s LEU 51 CO 0.03 0.27 -0.17 -0.76 0.23 0.00 0.00 176.35 175.95 2x3y s LEU 52 N -1.61 2.12 -0.05 1.79 1.02 -0.40 0.27 118.68 121.82 2x3y s LEU 52 Ca 0.20 -0.43 -0.05 0.00 0.02 0.00 0.00 54.13 53.87 2x3y s LEU 52 Cb -0.12 -0.82 0.01 0.00 0.02 0.00 0.00 46.19 45.29 2x3y s LEU 52 CO 0.11 0.13 0.14 0.00 0.02 0.00 0.00 176.35 176.75 2x3y s ALA 53 N -0.68 -0.35 0.02 4.21 0.00 -0.05 -0.32 121.76 124.59 2x3y s ALA 53 Ca 0.05 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 2x3y s ALA 53 Cb -0.08 -0.23 0.10 0.00 0.00 0.00 0.00 23.12 22.91 2x3y s ALA 53 CO 0.01 -0.07 0.95 0.20 0.00 0.00 0.00 175.76 176.85 2x3y s GLY 54 N 0.06 -0.39 0.11 0.00 0.00 -1.26 -0.53 107.32 105.31 2x3y s GLY 54 Ca -0.00 0.83 0.05 0.00 0.00 0.00 0.00 44.72 45.60 2x3y s GLY 54 CO 0.00 0.26 0.02 -1.31 0.00 0.00 0.00 173.10 172.07 2x3y s ASN 55 N -2.59 5.08 1.14 1.64 0.01 -1.26 -3.79 114.94 115.16 2x3y s ASN 55 Ca 0.08 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 2x3y s ASN 55 Cb -0.01 -1.22 0.00 0.00 0.41 0.00 0.00 41.25 40.43 2x3y s ASN 55 CO -0.06 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 2x3y n GLY 56 N 0.37 3.32 0.27 0.66 0.00 -1.26 -1.19 105.19 107.36 2x3y n GLY 56 Ca -0.10 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 0.94 2.00 -0.02 0.00 -2.01 0.23 103.07 104.22 2x3y h GLY 57 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2x3y h GLY 57 CO 0.00 -0.22 0.00 1.44 0.00 0.00 0.00 176.54 177.76 2x3y n SER 58 N -5.22 0.60 -0.04 0.19 7.64 -0.33 -1.59 113.62 114.87 2x3y n SER 58 Ca 0.13 0.66 -0.16 0.00 1.01 0.00 0.00 58.87 60.51 2x3y n SER 58 Cb 0.45 -0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 2x3y n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x3y h ALA 59 N 2.27 0.29 -0.67 -0.43 0.00 -0.37 -2.04 119.26 118.31 2x3y h ALA 59 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2x3y h ALA 59 Cb 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2x3y h ALA 59 CO 0.00 0.50 0.42 0.00 0.00 0.00 0.00 179.25 180.17 2x3y h ALA 60 N 0.55 0.88 -0.60 0.00 0.00 -1.05 -2.90 119.26 116.14 2x3y h ALA 60 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2x3y h ALA 60 Cb 1.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2x3y h ALA 60 CO 0.12 0.18 0.14 -0.44 0.00 0.00 0.00 179.25 179.24 2x3y h ASP 61 N 0.81 0.88 -0.57 0.00 5.19 -1.34 -0.68 116.42 120.71 2x3y h ASP 61 Ca 0.27 -0.17 0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2x3y h ASP 61 Cb 0.03 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.27 2x3y h ASP 61 CO -0.11 0.86 0.34 0.00 -3.12 0.00 0.00 179.24 177.20 2x3y h ALA 62 N 1.26 0.74 0.05 3.45 0.00 -1.17 -2.05 119.26 121.53 2x3y h ALA 62 Ca 0.19 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 2x3y h ALA 62 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2x3y h ALA 62 CO 0.00 0.05 -1.13 -0.56 0.00 0.00 0.00 179.25 177.61 2x3y h GLN 63 N 0.66 0.11 -0.47 0.00 3.07 -1.29 -2.50 115.11 114.68 2x3y h GLN 63 Ca 0.23 -0.18 0.09 0.00 0.09 0.00 0.00 58.65 58.88 2x3y h GLN 63 Cb 0.05 0.07 -0.10 0.00 0.08 0.00 0.00 27.48 27.58 2x3y h GLN 63 CO -0.11 1.06 -0.32 1.25 0.09 0.00 0.00 178.83 180.80 2x3y h HIS 64 N 0.03 -0.89 -0.18 0.06 2.76 -0.92 0.14 115.15 116.14 2x3y h HIS 64 Ca -0.07 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 2x3y h HIS 64 Cb 1.86 0.46 -0.00 0.00 1.55 0.00 0.00 27.41 31.27 2x3y h HIS 64 CO 0.03 -0.38 -0.08 0.82 -1.30 0.00 0.00 177.93 177.01 2x3y h ILE 65 N -0.22 1.31 -0.82 6.26 1.08 -1.39 -2.81 117.51 120.92 2x3y h ILE 65 Ca 0.19 -1.13 0.19 0.00 -0.39 0.00 0.00 64.86 63.72 2x3y h ILE 65 Cb 0.54 1.66 -0.12 0.00 -3.07 0.00 0.00 36.82 35.84 2x3y h ILE 65 CO -0.58 0.34 0.28 0.00 -0.69 0.00 0.00 178.15 177.49 2x3y h ALA 66 N 0.69 1.18 -0.43 1.87 0.00 -1.13 -1.50 119.26 119.94 2x3y h ALA 66 Ca 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2x3y h ALA 66 Cb 0.56 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2x3y h ALA 66 CO 0.03 -0.33 0.18 0.78 0.00 0.00 0.00 179.25 179.90 2x3y h GLY 67 N 0.34 0.66 1.89 0.00 0.00 -0.48 -0.83 103.07 104.63 2x3y h GLY 67 Ca 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2x3y h GLY 67 CO -0.52 0.30 -0.10 0.83 0.00 0.00 0.00 176.54 177.04 2x3y h GLU 68 N 0.61 0.00 0.11 4.80 5.08 -1.11 0.82 114.58 124.90 2x3y h GLU 68 Ca 0.15 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 2x3y h GLU 68 Cb 0.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 2x3y h GLU 68 CO -0.02 0.00 -0.86 0.74 -1.00 0.00 0.00 179.01 177.87 2x3y h PHE 69 N 0.00 0.65 0.20 4.33 0.04 -0.64 -3.25 116.94 118.27 2x3y h PHE 69 Ca 0.00 -0.44 -0.35 0.00 2.80 0.00 0.00 57.97 59.99 2x3y h PHE 69 Cb 0.92 -0.04 0.02 0.00 2.20 0.00 0.00 35.95 39.04 2x3y h PHE 69 CO 0.00 1.31 -1.68 0.28 -0.60 0.00 0.00 178.31 177.62 2x3y h VAL 70 N -0.19 1.03 0.00 -0.55 2.07 -1.14 -0.75 116.25 116.71 2x3y h VAL 70 Ca -0.14 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.80 2x3y h VAL 70 Cb 1.64 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 2x3y h VAL 70 CO 0.16 0.85 0.00 -0.24 0.02 0.00 0.00 177.57 178.36 2x3y n SER 71 N -3.61 0.00 -3.53 0.57 2.88 0.28 -4.23 113.62 105.97 2x3y n SER 71 Ca -0.22 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.19 2x3y n SER 71 Cb 1.08 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.50 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 0.33 1.13 -0.01 -1.46 1.70 -1.25 -4.69 118.95 114.70 2x3y s ARG 72 Ca 0.00 -0.39 -0.02 0.00 -0.47 0.00 0.00 55.73 54.85 2x3y s ARG 72 Cb 0.00 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 2x3y s ARG 72 CO 0.00 -0.44 -0.03 0.34 -1.08 0.00 0.00 175.30 174.08 2x3y n PHE 73 N 0.03 0.00 -0.02 5.89 -0.00 -1.23 -4.59 117.46 117.54 2x3y n PHE 73 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.28 2x3y n PHE 73 Cb 0.62 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.48 39.99 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 -2.77 2.09 -3.25 3.13 0.00 -1.26 -5.07 120.51 113.39 2x3y n ALA 74 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 2x3y n ALA 74 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.44 -0.24 0.16 0.00 -0.12 -1.26 -5.14 117.98 108.95 2x3y s PHE 75 Ca -0.04 -0.07 -0.31 0.00 -0.05 0.00 0.00 56.93 56.47 2x3y s PHE 75 Cb 0.04 0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.74 2x3y s PHE 75 CO 0.36 -0.84 1.41 -0.51 -0.05 0.00 0.00 175.22 175.59 2x3y s ASP 76 N -2.82 6.77 0.19 1.98 1.11 -1.26 -4.89 116.67 117.75 2x3y s ASP 76 Ca 0.05 2.44 -0.22 0.00 0.18 0.00 0.00 52.55 55.01 2x3y s ASP 76 Cb -0.00 -2.60 0.07 0.00 1.07 0.00 0.00 42.92 41.46 2x3y s ASP 76 CO -0.08 -0.66 1.01 0.00 1.18 0.00 0.00 175.17 176.62 2x3y s ARG 77 N 0.64 1.34 0.84 8.23 1.04 -1.26 -5.15 118.95 124.62 2x3y s ARG 77 Ca 0.63 -0.84 -0.10 0.00 -1.04 0.00 0.00 55.73 54.38 2x3y s ARG 77 Cb -0.39 0.39 0.10 0.00 -2.04 0.00 0.00 34.95 33.01 2x3y s ARG 77 CO 0.34 -0.62 1.12 -2.14 -0.04 0.00 0.00 175.30 173.95 2x3y s PRO 78 N -2.41 1.68 0.44 3.89 0.02 -1.26 -4.97 135.00 132.38 2x3y s PRO 78 Ca 0.19 1.36 -0.24 0.00 0.02 0.00 0.00 61.00 62.32 2x3y s PRO 78 Cb -0.02 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 2x3y s PRO 78 CO 0.05 -2.11 1.25 0.20 -0.33 0.00 0.00 177.00 176.06 2x3y s GLY 79 N -3.04 2.87 0.16 0.52 0.00 -1.26 -4.99 107.32 101.59 2x3y s GLY 79 Ca 0.64 1.12 0.04 0.00 0.00 0.00 0.00 44.72 46.52 2x3y s GLY 79 CO 0.57 1.65 0.21 1.08 0.00 0.00 0.00 173.10 176.60 2x3y s LEU 80 N -2.74 4.05 -0.95 0.66 1.43 -0.29 -4.99 118.68 115.85 2x3y s LEU 80 Ca 0.61 0.00 -0.22 0.00 -1.03 0.00 0.00 54.13 53.49 2x3y s LEU 80 Cb -0.34 -2.64 0.08 0.00 0.03 0.00 0.00 46.19 43.31 2x3y s LEU 80 CO 0.43 0.05 1.30 -2.84 0.23 0.00 0.00 176.35 175.52 2x3y s PRO 81 N -3.22 3.54 -0.01 1.29 0.02 -1.26 -3.98 135.00 131.38 2x3y s PRO 81 Ca 0.33 -1.27 0.03 0.00 0.02 0.00 0.00 61.00 60.11 2x3y s PRO 81 Cb -0.10 -5.06 -0.01 0.00 0.02 0.00 0.00 34.50 29.34 2x3y s PRO 81 CO 0.26 -2.03 -0.09 0.00 -0.33 0.00 0.00 177.00 174.81 2x3y s ALA 82 N 4.18 0.75 -0.07 -1.55 0.00 -1.26 -1.59 121.76 122.23 2x3y s ALA 82 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2x3y s ALA 82 Cb -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2x3y s ALA 82 CO -0.07 0.18 -0.04 0.08 0.00 0.00 0.00 175.76 175.91 2x3y s VAL 83 N -0.24 0.66 -0.06 0.00 1.01 0.40 -4.87 120.40 117.29 2x3y s VAL 83 Ca 0.03 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2x3y s VAL 83 Cb -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2x3y s VAL 83 CO -0.00 0.28 0.70 0.00 0.00 0.00 0.00 175.10 176.08 2x3y s ALA 84 N 1.42 3.34 -0.59 5.51 0.00 -1.26 -1.27 121.76 128.91 2x3y s ALA 84 Ca -0.02 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.14 2x3y s ALA 84 Cb -0.13 -2.94 0.43 0.00 0.00 0.00 0.00 23.12 20.47 2x3y s ALA 84 CO -0.03 -0.08 1.17 1.28 0.00 0.00 0.00 175.76 178.09 2x3y n LEU 85 N 3.69 3.54 -0.11 0.00 4.77 0.57 -4.03 117.00 125.43 2x3y n LEU 85 Ca -0.02 -1.80 0.05 0.00 -0.03 0.00 0.00 56.01 54.21 2x3y n LEU 85 Cb 0.51 -0.60 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2x3y n LEU 85 CO 0.47 0.46 0.54 0.35 -1.33 0.00 0.00 177.39 177.88 2x3y n THR 86 N 0.30 1.40 -0.09 -5.08 -2.24 -1.26 -4.78 114.28 102.52 2x3y n THR 86 Ca 0.15 -1.52 -0.12 0.00 -2.27 0.00 0.00 64.05 60.29 2x3y n THR 86 Cb 0.76 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.80 1.04 -2.64 4.28 -2.24 -1.26 -4.93 114.28 107.74 2x3y n THR 87 Ca 0.08 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2x3y n THR 87 Cb 0.44 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 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 -5.62 6.34 0.42 3.42 -1.08 -1.26 -4.90 116.67 114.00 2x3y s ASP 88 Ca -0.22 -0.18 0.27 0.00 -0.52 0.00 0.00 52.55 51.91 2x3y s ASP 88 Cb 0.06 -2.52 0.85 0.00 -1.46 0.00 0.00 42.92 39.85 2x3y s ASP 88 CO 0.45 -1.51 1.78 0.71 0.52 0.00 0.00 175.17 177.11 2x3y h THR 89 N 6.09 0.00 -0.24 1.71 1.35 -1.99 -0.60 112.91 119.23 2x3y h THR 89 Ca -0.26 -0.65 -0.11 0.00 -0.55 0.00 0.00 66.41 64.83 2x3y h THR 89 Cb 1.06 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2x3y h THR 89 CO 1.19 0.00 -0.29 0.28 -0.25 0.00 0.00 175.52 176.45 2x3y h SER 90 N 0.00 0.67 -0.08 5.36 0.02 -1.99 -2.12 113.55 115.42 2x3y h SER 90 Ca 0.00 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2x3y h SER 90 Cb 0.71 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2x3y h SER 90 CO 0.00 1.03 0.03 0.40 -1.14 0.00 0.00 176.83 177.15 2x3y h ILE 91 N 0.33 1.16 0.15 3.27 2.04 -1.83 -0.64 117.51 122.00 2x3y h ILE 91 Ca 0.03 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2x3y h ILE 91 Cb 0.86 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2x3y h ILE 91 CO 0.07 0.14 -0.11 -0.07 0.00 0.00 0.00 178.15 178.18 2x3y h LEU 92 N -0.05 -0.28 -0.93 1.44 3.38 -1.18 -0.99 115.31 116.71 2x3y h LEU 92 Ca 0.03 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2x3y h LEU 92 Cb 0.20 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2x3y h LEU 92 CO -0.00 -0.18 -0.37 0.71 0.09 0.00 0.00 178.44 178.69 2x3y h THR 93 N -0.27 0.87 -0.07 0.22 1.35 -1.41 -1.23 112.91 112.37 2x3y h THR 93 Ca -0.01 -1.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 2x3y h THR 93 Cb 0.24 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2x3y h THR 93 CO -0.00 0.36 -0.09 0.00 -0.25 0.00 0.00 175.52 175.54 2x3y h ALA 94 N 1.63 0.11 -0.49 6.62 0.00 -0.84 -2.53 119.26 123.76 2x3y h ALA 94 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2x3y h ALA 94 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2x3y h ALA 94 CO 0.05 -0.05 0.29 0.82 0.00 0.00 0.00 179.25 180.36 2x3y h ILE 95 N -0.25 1.14 0.09 0.00 2.04 -1.11 0.24 117.51 119.65 2x3y h ILE 95 Ca 0.01 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2x3y h ILE 95 Cb 0.62 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2x3y h ILE 95 CO 0.02 0.15 -0.41 1.23 0.00 0.00 0.00 178.15 179.13 2x3y h GLY 96 N 0.71 -1.18 0.82 5.37 0.00 -1.11 -1.16 103.07 106.52 2x3y h GLY 96 Ca 0.18 0.62 -0.05 0.00 0.00 0.00 0.00 47.33 48.08 2x3y h GLY 96 CO -0.03 -0.31 -0.08 3.43 0.00 0.00 0.00 176.54 179.55 2x3y h ASN 97 N -0.59 0.44 -0.15 0.19 4.21 -1.16 -2.09 115.58 116.42 2x3y h ASN 97 Ca -0.00 -0.39 -0.19 0.00 1.21 0.00 0.00 56.30 56.93 2x3y h ASN 97 Cb 0.59 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2x3y h ASN 97 CO -0.23 0.73 -0.60 0.44 -1.29 0.00 0.00 177.43 176.48 2x3y h ASP 98 N 0.14 0.86 0.00 5.81 3.32 -0.55 -3.39 116.42 122.61 2x3y h ASP 98 Ca 0.05 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2x3y h ASP 98 Cb 0.55 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2x3y h ASP 98 CO 0.03 1.26 0.00 -1.22 -1.72 0.00 0.00 179.24 177.58 2x3y n TYR 99 N -3.97 0.00 0.00 4.55 4.01 -0.54 -5.06 117.16 116.15 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 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.21 2.09 0.35 2.72 0.00 -0.59 -4.65 105.19 105.32 2x3y n GLY 100 Ca 0.00 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.51 2x3y n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2x3y h TYR 101 N 0.00 1.06 0.00 1.61 3.20 -1.77 -1.43 116.97 119.64 2x3y h TYR 101 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2x3y h TYR 101 Cb 0.00 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2x3y h TYR 101 CO 0.00 0.20 0.00 -1.91 -1.64 0.00 0.00 178.16 174.81 2x3y n GLU 102 N -4.79 0.04 0.00 1.82 2.13 -1.26 -1.13 120.64 117.46 2x3y n GLU 102 Ca 0.24 0.52 0.11 0.00 0.66 0.00 0.00 57.16 58.69 2x3y n GLU 102 Cb 0.61 -1.64 0.04 0.00 0.27 0.00 0.00 31.44 30.72 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 -1.73 0.34 -0.20 5.31 4.76 -0.54 -4.44 118.16 121.65 2x3y n LYS 103 Ca -0.00 -0.26 0.03 0.00 -2.87 0.00 0.00 58.31 55.21 2x3y n LYS 103 Cb 0.03 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.79 2x3y n LYS 103 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2x3y n LEU 104 N -1.10 -0.23 -0.09 -0.35 7.94 -0.28 -0.96 117.00 121.93 2x3y n LEU 104 Ca 0.06 0.97 -0.10 0.00 -1.11 0.00 0.00 56.01 55.83 2x3y n LEU 104 Cb 0.36 -0.28 -0.11 0.00 0.53 0.00 0.00 43.42 43.93 2x3y n LEU 104 CO 0.36 -0.92 -1.06 0.49 -1.11 0.00 0.00 177.39 175.16 2x3y n PHE 105 N -4.90 0.00 0.02 1.96 0.99 -1.26 -4.18 117.46 110.10 2x3y n PHE 105 Ca 0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.58 2x3y n PHE 105 Cb 0.27 -0.75 0.45 0.00 -1.00 0.00 0.00 39.48 38.45 2x3y n PHE 105 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2x3y h SER 106 N 0.00 0.42 0.34 4.37 4.64 -1.67 -0.22 113.55 121.42 2x3y h SER 106 Ca -0.42 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2x3y h SER 106 Cb 1.82 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2x3y h SER 106 CO -0.02 0.30 -0.16 -0.09 -0.87 0.00 0.00 176.83 175.99 2x3y h ARG 107 N 0.49 -0.43 -0.95 4.77 1.12 -1.26 -2.03 114.38 116.09 2x3y h ARG 107 Ca 0.14 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.09 2x3y h ARG 107 Cb -0.03 0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 29.97 2x3y h ARG 107 CO -0.03 -0.17 0.61 1.96 -3.11 0.00 0.00 179.97 179.23 2x3y h GLN 108 N -0.65 1.13 -0.12 0.20 4.20 -1.61 -2.42 115.11 115.84 2x3y h GLN 108 Ca -0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2x3y h GLN 108 Cb 0.46 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2x3y h GLN 108 CO 0.08 0.75 0.07 0.28 -0.67 0.00 0.00 178.83 179.33 2x3y h VAL 109 N 1.16 1.07 -0.47 -0.54 2.07 -1.05 0.20 116.25 118.70 2x3y h VAL 109 Ca 0.39 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.75 2x3y h VAL 109 Cb 0.06 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2x3y h VAL 109 CO -0.14 0.07 0.31 0.06 0.02 0.00 0.00 177.57 177.89 2x3y h GLN 110 N 0.11 0.46 0.00 1.57 3.07 -0.90 0.31 115.11 119.73 2x3y h GLN 110 Ca 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.75 2x3y h GLN 110 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.50 2x3y h GLN 110 CO -0.01 0.31 -0.00 0.00 0.09 0.00 0.00 178.83 179.22 2x3y h ALA 111 N 1.74 -0.00 0.00 0.06 0.00 -1.19 -3.39 119.26 116.48 2x3y h ALA 111 Ca 0.19 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2x3y h ALA 111 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2x3y h ALA 111 CO -0.05 -0.00 -1.38 -0.07 0.00 0.00 0.00 179.25 177.75 2x3y h LEU 112 N -1.00 0.00 -9.99 0.00 3.38 -0.48 -3.48 115.31 103.74 2x3y h LEU 112 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2x3y h LEU 112 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 2x3y h LEU 112 CO 0.00 0.68 0.38 -0.83 0.09 0.00 0.00 178.44 178.76 2x3y s GLY 113 N -4.83 2.63 0.06 0.83 0.00 0.11 -5.05 107.32 101.07 2x3y s GLY 113 Ca -0.03 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.33 2x3y s GLY 113 CO 0.81 0.97 -0.11 -1.31 0.00 0.00 0.00 173.10 173.47 2x3y s ASN 114 N -1.78 1.24 0.19 1.64 0.01 -1.26 -4.92 114.94 110.07 2x3y s ASN 114 Ca 0.59 -0.58 -0.31 0.00 -0.71 0.00 0.00 52.86 51.85 2x3y s ASN 114 Cb -0.18 -0.00 -0.16 0.00 0.41 0.00 0.00 41.25 41.32 2x3y s ASN 114 CO 0.22 -0.14 1.00 1.21 -1.51 0.00 0.00 177.10 177.88 2x3y n GLU 115 N 1.38 0.91 0.00 -0.60 2.13 -1.22 -0.92 120.64 122.31 2x3y n GLU 115 Ca -0.22 0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2x3y n GLU 115 Cb 0.54 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.77 2.76 3.60 8.31 0.00 -0.88 -4.97 105.19 115.79 2x3y n GLY 116 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.44 1.69 -0.02 1.61 1.01 -0.10 -4.66 116.67 114.76 2x3y s ASP 117 Ca 0.00 1.07 0.07 0.00 0.71 0.00 0.00 52.55 54.41 2x3y s ASP 117 Cb 0.00 -1.65 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 2x3y s ASP 117 CO 0.00 -3.70 -0.25 -0.69 0.21 0.00 0.00 175.17 170.75 2x3y s VAL 118 N -2.86 1.96 -0.19 -1.27 1.01 -0.42 -1.54 120.40 117.09 2x3y s VAL 118 Ca 0.67 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2x3y s VAL 118 Cb -0.17 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2x3y s VAL 118 CO 0.58 0.55 -0.11 -0.22 0.00 0.00 0.00 175.10 175.90 2x3y s LEU 119 N -0.53 2.59 -0.27 3.92 2.96 0.19 -0.26 118.68 127.29 2x3y s LEU 119 Ca 0.08 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2x3y s LEU 119 Cb -0.10 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2x3y s LEU 119 CO -0.00 0.02 0.12 -0.63 -1.32 0.00 0.00 176.35 174.54 2x3y s ILE 120 N 1.20 4.63 -0.09 6.68 1.01 0.14 -0.44 121.20 134.33 2x3y s ILE 120 Ca 0.02 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2x3y s ILE 120 Cb -0.14 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 2x3y s ILE 120 CO -0.05 0.26 -0.24 -0.83 0.00 0.00 0.00 174.94 174.08 2x3y s GLY 121 N 1.65 1.33 -0.12 6.18 0.00 0.29 -0.87 107.32 115.78 2x3y s GLY 121 Ca 0.06 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 2x3y s GLY 121 CO 0.06 -0.39 0.05 -0.19 0.00 0.00 0.00 173.10 172.63 2x3y s TYR 122 N 0.24 3.28 -0.29 1.90 2.02 0.31 -1.32 117.35 123.50 2x3y s TYR 122 Ca -0.16 0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 56.72 2x3y s TYR 122 Cb -0.17 -1.90 0.15 0.00 -0.40 0.00 0.00 41.96 39.64 2x3y s TYR 122 CO 0.08 0.44 0.59 0.45 -1.57 0.00 0.00 175.55 175.53 2x3y s SER 123 N -0.56 -1.07 0.35 2.29 0.15 -0.81 -4.44 113.70 109.61 2x3y s SER 123 Ca 0.10 1.11 0.16 0.00 0.70 0.00 0.00 55.95 58.02 2x3y s SER 123 Cb -0.12 2.07 0.63 0.00 -1.71 0.00 0.00 66.02 66.90 2x3y s SER 123 CO 0.02 -0.25 1.73 0.71 1.20 0.00 0.00 173.24 176.65 2x3y h THR 124 N 6.03 1.08 0.00 6.45 1.35 -1.93 -3.07 112.91 122.82 2x3y h THR 124 Ca -0.20 -1.61 -0.09 0.00 -0.55 0.00 0.00 66.41 63.96 2x3y h THR 124 Cb 1.13 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 2x3y h THR 124 CO 0.19 0.42 -0.78 0.77 -0.25 0.00 0.00 175.52 175.87 2x3y h SER 125 N 0.00 0.00 0.00 5.36 4.64 -1.96 -3.30 113.55 118.29 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 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2x3y h SER 125 CO 0.06 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2x3y n GLY 126 N 1.25 1.25 0.00 -0.77 0.00 -1.16 -4.85 105.19 100.91 2x3y n GLY 126 Ca -0.01 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 6.47 -1.37 1.61 5.02 -1.26 -4.31 118.16 122.32 2x3y n LYS 127 Ca 0.00 -0.01 -0.56 0.00 -2.02 0.00 0.00 58.31 55.72 2x3y n LYS 127 Cb 0.00 -0.57 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.02 1.43 -0.28 4.39 7.64 -1.26 -4.81 113.62 119.70 2x3y n SER 128 Ca 0.00 0.59 -0.01 0.00 1.01 0.00 0.00 58.87 60.46 2x3y n SER 128 Cb 0.02 -1.07 0.11 0.00 -1.01 0.00 0.00 64.21 62.27 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 10.28 0.91 0.00 1.43 0.11 -1.97 -1.65 132.00 141.10 2x3y h PRO 129 Ca -0.20 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 2x3y h PRO 129 Cb 1.37 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2x3y h PRO 129 CO 1.05 0.60 -0.30 -2.95 -0.21 0.00 0.00 178.00 176.19 2x3y h ASN 130 N 0.93 0.00 -0.07 -2.05 7.08 -1.88 -0.94 115.58 118.66 2x3y h ASN 130 Ca 0.33 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.50 2x3y h ASN 130 Cb 0.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 2x3y h ASN 130 CO -0.14 0.30 -0.14 0.40 -2.08 0.00 0.00 177.43 175.77 2x3y h ILE 131 N 0.00 1.42 -0.53 6.14 1.08 -1.70 -2.37 117.51 121.54 2x3y h ILE 131 Ca -0.00 -1.46 -0.01 0.00 -0.39 0.00 0.00 64.86 62.99 2x3y h ILE 131 Cb 0.74 2.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.68 2x3y h ILE 131 CO 0.04 0.41 0.30 -0.07 -0.69 0.00 0.00 178.15 178.14 2x3y h LEU 132 N -0.27 0.66 -1.14 1.44 3.38 -1.10 -1.47 115.31 116.79 2x3y h LEU 132 Ca 0.00 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2x3y h LEU 132 Cb 0.73 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2x3y h LEU 132 CO 0.03 0.55 0.59 0.00 0.09 0.00 0.00 178.44 179.70 2x3y h ALA 133 N 1.13 1.47 -0.71 1.53 0.00 -1.25 -1.09 119.26 120.35 2x3y h ALA 133 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2x3y h ALA 133 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2x3y h ALA 133 CO -0.03 0.42 0.47 0.00 0.00 0.00 0.00 179.25 180.10 2x3y h ALA 134 N 1.49 0.90 -0.88 0.00 0.00 -0.74 -2.30 119.26 117.74 2x3y h ALA 134 Ca 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2x3y h ALA 134 Cb 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2x3y h ALA 134 CO -0.12 0.30 0.54 0.74 0.00 0.00 0.00 179.25 180.71 2x3y h PHE 135 N 0.94 1.15 0.04 0.00 0.04 -0.35 0.00 116.94 118.76 2x3y h PHE 135 Ca 0.26 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 2x3y h PHE 135 Cb -0.09 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 37.68 2x3y h PHE 135 CO -0.03 0.76 -0.02 0.00 -0.60 0.00 0.00 178.31 178.42 2x3y h ARG 136 N 1.21 -0.05 0.16 1.51 3.08 -1.01 -0.16 114.38 119.11 2x3y h ARG 136 Ca 0.32 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.38 2x3y h ARG 136 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2x3y h ARG 136 CO -0.06 0.05 -0.25 1.49 -1.07 0.00 0.00 179.97 180.13 2x3y h GLU 137 N -0.15 -0.46 -0.51 0.04 4.57 -1.25 -1.98 114.58 114.84 2x3y h GLU 137 Ca -0.01 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 2x3y h GLU 137 Cb 0.13 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 28.72 2x3y h GLU 137 CO 0.01 -0.31 -0.38 0.00 -1.18 0.00 0.00 179.01 177.15 2x3y h ALA 138 N 0.24 -0.22 -0.93 2.92 0.00 -0.80 -1.28 119.26 119.19 2x3y h ALA 138 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2x3y h ALA 138 Cb 0.49 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 2x3y h ALA 138 CO -0.12 -0.76 0.60 -0.22 0.00 0.00 0.00 179.25 178.75 2x3y h LYS 139 N -0.23 1.24 0.00 0.00 3.64 -0.88 -1.42 116.57 118.93 2x3y h LYS 139 Ca 0.19 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2x3y h LYS 139 Cb 0.56 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2x3y h LYS 139 CO -0.63 0.84 -0.12 0.00 -2.27 0.00 0.00 179.45 177.26 2x3y h ALA 140 N 1.38 1.09 -0.04 5.00 0.00 -0.49 -1.56 119.26 124.65 2x3y h ALA 140 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x3y h ALA 140 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2x3y h ALA 140 CO -0.07 0.16 0.00 1.63 0.00 0.00 0.00 179.25 180.97 2x3y n LYS 141 N -3.37 1.62 -1.34 0.00 5.02 -0.60 -4.93 118.16 114.56 2x3y n LYS 141 Ca -0.01 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 2x3y n LYS 141 Cb 0.32 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.15 0.49 3.91 0.72 0.00 -0.59 -3.45 105.19 107.43 2x3y n GLY 142 Ca 0.19 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.73 3.56 0.18 1.61 -1.94 -0.63 -2.07 119.30 117.28 2x3y s MET 143 Ca 0.00 -0.22 -0.30 0.00 -1.71 0.00 0.00 55.69 53.47 2x3y s MET 143 Cb 0.00 -2.86 -0.08 0.00 2.01 0.00 0.00 34.83 33.90 2x3y s MET 143 CO 0.00 0.45 0.98 0.99 -0.01 0.00 0.00 175.02 177.43 2x3y s THR 144 N -1.73 4.18 -0.28 2.05 2.01 -0.59 -4.19 115.64 117.09 2x3y s THR 144 Ca 0.40 1.99 -0.06 0.00 0.31 0.00 0.00 61.69 64.32 2x3y s THR 144 Cb -0.12 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.13 2x3y s THR 144 CO 0.27 0.39 0.06 0.00 -0.69 0.00 0.00 174.62 174.65 2x3y s VAL 146 N 1.50 3.18 0.10 0.00 1.01 0.42 -0.26 120.40 126.35 2x3y s VAL 146 Ca 0.03 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.50 2x3y s VAL 146 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2x3y s VAL 146 CO 0.02 0.51 -0.23 -0.83 0.00 0.00 0.00 175.10 174.57 2x3y s GLY 147 N 0.49 1.59 -0.19 4.51 0.00 0.05 -0.55 107.32 113.21 2x3y s GLY 147 Ca -0.08 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.28 2x3y s GLY 147 CO 0.04 -1.33 -0.10 -1.36 0.00 0.00 0.00 173.10 170.36 2x3y s PHE 148 N -1.03 2.31 0.04 1.90 0.08 -0.43 -1.15 117.98 119.70 2x3y s PHE 148 Ca 0.15 -1.51 0.01 0.00 0.12 0.00 0.00 56.93 55.70 2x3y s PHE 148 Cb -0.10 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 40.75 2x3y s PHE 148 CO 0.07 -0.72 0.04 -2.37 -0.10 0.00 0.00 175.22 172.13 2x3y n THR 149 N 4.71 0.00 -0.72 0.64 5.66 0.55 -1.93 114.28 123.19 2x3y n THR 149 Ca -0.14 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2x3y n THR 149 Cb 0.47 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 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 -0.07 1.50 1.39 1.09 0.00 -1.24 -1.32 105.19 106.53 2x3y n GLY 150 Ca 0.01 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.32 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 4.07 -4.02 1.61 0.23 -0.05 -3.90 115.26 113.20 2x3y n ASN 151 Ca 0.00 -2.50 -0.13 0.00 -0.53 0.00 0.00 54.58 51.42 2x3y n ASN 151 Cb 0.00 -0.56 -0.12 0.00 -2.08 0.00 0.00 39.78 37.02 2x3y n ASN 151 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x3y s ARG 152 N -2.01 0.47 0.00 -3.83 1.70 -1.26 -5.00 118.95 109.01 2x3y s ARG 152 Ca 0.39 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 2x3y s ARG 152 Cb 0.27 -0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 2x3y s ARG 152 CO 0.15 0.06 0.00 0.41 -1.08 0.00 0.00 175.30 174.84 2x3y n GLY 154 N 1.90 0.99 0.18 3.88 0.00 -1.26 -4.79 105.19 106.10 2x3y n GLY 154 Ca -0.20 -1.91 0.10 0.00 0.00 0.00 0.00 46.02 44.01 2x3y n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x3y h GLU 155 N 7.99 0.00 -0.20 1.61 5.08 -2.00 -2.96 114.58 124.09 2x3y h GLU 155 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2x3y h GLU 155 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2x3y h GLU 155 CO 0.00 0.00 0.06 0.52 -1.00 0.00 0.00 179.01 178.59 2x3y h MET 156 N 0.00 0.28 -0.96 2.33 2.86 -1.95 -2.62 114.93 114.87 2x3y h MET 156 Ca 0.00 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 2x3y h MET 156 Cb 0.25 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 2x3y h MET 156 CO 0.00 0.26 0.63 0.00 1.06 0.00 0.00 176.91 178.85 2x3y h ARG 157 N 0.28 1.10 0.00 1.72 3.08 -1.87 -0.78 114.38 117.92 2x3y h ARG 157 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x3y h ARG 157 Cb 0.10 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2x3y h ARG 157 CO -0.01 0.73 -0.81 -0.85 -1.07 0.00 0.00 179.97 177.97 2x3y n GLU 158 N -4.48 0.04 -0.03 0.04 0.00 -1.06 -4.28 120.64 110.87 2x3y n GLU 158 Ca 0.14 -0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.14 2x3y n GLU 158 Cb 0.17 -1.51 -0.14 0.00 0.00 0.00 0.00 31.44 29.96 2x3y n GLU 158 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2x3y n LEU 159 N -1.56 1.96 -4.82 -1.84 4.77 -1.01 -4.95 117.00 109.54 2x3y n LEU 159 Ca 0.04 0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 2x3y n LEU 159 Cb 0.35 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2x3y n LEU 159 CO 0.39 0.70 0.34 0.00 -1.33 0.00 0.00 177.39 177.50 2x3y h ASP 161 N 3.62 0.11 -3.62 0.00 3.32 -0.96 -3.45 116.42 115.44 2x3y h ASP 161 Ca -0.48 -0.10 -0.32 0.00 0.02 0.00 0.00 57.03 56.15 2x3y h ASP 161 Cb 1.20 -0.03 -0.32 0.00 0.22 0.00 0.00 39.33 40.39 2x3y h ASP 161 CO 0.65 0.96 -0.74 -0.76 -1.72 0.00 0.00 179.24 177.63 2x3y s LEU 162 N -7.11 1.48 -0.07 1.55 1.43 -0.85 -5.04 118.68 110.07 2x3y s LEU 162 Ca -0.01 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2x3y s LEU 162 Cb 0.10 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.16 2x3y s LEU 162 CO 0.82 -0.05 -0.02 -0.22 0.23 0.00 0.00 176.35 177.10 2x3y s LEU 163 N 0.62 0.90 -0.24 1.79 2.96 -1.26 -0.77 118.68 122.69 2x3y s LEU 163 Ca -0.06 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2x3y s LEU 163 Cb -0.09 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 2x3y s LEU 163 CO -0.01 -0.14 0.09 -0.76 -1.32 0.00 0.00 176.35 174.21 2x3y s LEU 164 N 1.58 3.66 -0.34 -0.68 1.43 -0.30 -4.98 118.68 119.05 2x3y s LEU 164 Ca -0.01 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2x3y s LEU 164 Cb -0.13 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.20 2x3y s LEU 164 CO -0.04 0.02 0.05 -1.61 0.23 0.00 0.00 176.35 175.01 2x3y s GLU 165 N 1.28 2.01 0.11 1.70 2.02 -1.26 -0.33 118.70 124.22 2x3y s GLU 165 Ca 0.05 -1.61 -0.31 0.00 0.02 0.00 0.00 54.97 53.12 2x3y s GLU 165 Cb -0.15 -3.26 -0.08 0.00 0.10 0.00 0.00 34.13 30.74 2x3y s GLU 165 CO 0.04 -0.83 1.52 0.08 0.02 0.00 0.00 175.26 176.09 2x3y s VAL 166 N 1.10 3.05 -0.93 2.63 1.01 -0.44 -4.85 120.40 121.96 2x3y s VAL 166 Ca 0.03 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 2x3y s VAL 166 Cb -0.20 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 2x3y s VAL 166 CO -0.05 0.03 2.11 -0.81 0.00 0.00 0.00 175.10 176.38 2x3y n PRO 167 N 4.52 2.05 -3.75 2.72 -0.04 -1.26 -2.40 135.00 136.83 2x3y n PRO 167 Ca 0.14 -1.62 -0.10 0.00 -0.04 0.00 0.00 63.50 61.88 2x3y n PRO 167 Cb 0.41 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.73 -0.24 0.00 3.54 0.15 -1.26 -4.90 113.70 114.72 2x3y s SER 168 Ca 0.45 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2x3y s SER 168 Cb 0.12 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2x3y s SER 168 CO -0.00 -1.04 0.17 0.00 1.20 0.00 0.00 173.24 173.57 2x3y n ALA 169 N -0.33 2.15 -2.54 5.45 0.00 -1.26 -0.87 120.51 123.11 2x3y n ALA 169 Ca -0.10 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 2x3y n ALA 169 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.65 6.24 0.32 0.00 2.15 -1.26 -4.99 116.67 118.48 2x3y s ASP 170 Ca 0.00 -0.19 0.09 0.00 0.43 0.00 0.00 52.55 52.88 2x3y s ASP 170 Cb 0.00 -2.23 0.87 0.00 -0.30 0.00 0.00 42.92 41.25 2x3y s ASP 170 CO 0.00 -0.43 1.74 0.71 -0.17 0.00 0.00 175.17 177.02 2x3y h THR 171 N 5.60 0.57 -0.45 1.71 1.35 -1.94 0.54 112.91 120.30 2x3y h THR 171 Ca -0.28 -0.21 0.02 0.00 -0.55 0.00 0.00 66.41 65.39 2x3y h THR 171 Cb 1.13 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.43 2x3y h THR 171 CO 0.74 0.11 0.26 -0.65 -0.25 0.00 0.00 175.52 175.74 2x3y h PRO 172 N 0.61 0.51 -0.33 4.72 0.11 -2.00 -1.10 132.00 134.53 2x3y h PRO 172 Ca 0.63 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.57 2x3y h PRO 172 Cb 1.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2x3y h PRO 172 CO -0.44 0.34 -0.34 0.87 -0.21 0.00 0.00 178.00 178.22 2x3y h LYS 173 N 0.53 0.75 -0.78 1.05 1.79 -1.37 -1.36 116.57 117.17 2x3y h LYS 173 Ca 0.18 -0.36 -0.05 0.00 -2.18 0.00 0.00 60.65 58.24 2x3y h LYS 173 Cb 0.02 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2x3y h LYS 173 CO -0.08 0.97 0.28 0.82 -1.08 0.00 0.00 179.45 180.36 2x3y h ILE 174 N 0.62 1.26 -0.18 1.86 2.04 -1.12 -1.94 117.51 120.05 2x3y h ILE 174 Ca 0.06 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 2x3y h ILE 174 Cb 0.87 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2x3y h ILE 174 CO 0.08 0.35 0.02 1.56 0.00 0.00 0.00 178.15 180.16 2x3y h GLN 175 N 1.15 0.30 -0.83 2.37 4.20 -0.68 -1.31 115.11 120.31 2x3y h GLN 175 Ca 0.26 -0.09 0.18 0.00 0.06 0.00 0.00 58.65 59.06 2x3y h GLN 175 Cb 0.26 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 27.89 2x3y h GLN 175 CO -0.02 0.48 0.35 0.93 -0.67 0.00 0.00 178.83 179.90 2x3y h GLU 176 N 0.08 0.42 -0.76 1.46 5.08 -1.17 -0.50 114.58 119.19 2x3y h GLU 176 Ca 0.05 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2x3y h GLU 176 Cb 0.33 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2x3y h GLU 176 CO 0.01 0.27 0.28 0.78 -1.00 0.00 0.00 179.01 179.35 2x3y h GLY 177 N 0.43 1.23 0.99 -3.84 0.00 -0.80 -2.63 103.07 98.45 2x3y h GLY 177 Ca 0.49 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2x3y h GLY 177 CO -0.47 0.65 0.28 0.45 0.00 0.00 0.00 176.54 177.45 2x3y h HIS 178 N 1.10 0.57 -0.59 5.60 3.86 0.01 -0.86 115.15 124.85 2x3y h HIS 178 Ca 0.25 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2x3y h HIS 178 Cb 0.25 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2x3y h HIS 178 CO 0.02 0.38 0.39 1.25 0.86 0.00 0.00 177.93 180.83 2x3y h LEU 179 N 0.59 0.66 -0.38 2.43 5.85 -1.15 0.38 115.31 123.69 2x3y h LEU 179 Ca 0.16 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2x3y h LEU 179 Cb -0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2x3y h LEU 179 CO -0.03 0.47 0.20 0.58 -0.34 0.00 0.00 178.44 179.32 2x3y h VAL 180 N 0.78 1.15 -0.01 1.05 2.07 -1.07 -1.29 116.25 118.94 2x3y h VAL 180 Ca 0.22 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 2x3y h VAL 180 Cb -0.07 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2x3y h VAL 180 CO -0.06 0.16 -0.60 -0.07 0.02 0.00 0.00 177.57 177.02 2x3y h LEU 181 N 0.48 0.02 -0.07 2.57 3.38 -0.88 -2.92 115.31 117.89 2x3y h LEU 181 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2x3y h LEU 181 Cb 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2x3y h LEU 181 CO -0.02 0.62 0.01 1.23 0.09 0.00 0.00 178.44 180.37 2x3y h GLY 182 N 1.78 0.13 -0.12 0.83 0.00 0.13 -1.82 103.07 104.00 2x3y h GLY 182 Ca -0.01 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.33 2x3y h GLY 182 CO 0.08 0.08 -0.25 0.45 0.00 0.00 0.00 176.54 176.89 2x3y h HIS 183 N -0.11 -0.67 -0.75 5.60 3.86 -1.23 -0.59 115.15 121.26 2x3y h HIS 183 Ca 0.02 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 2x3y h HIS 183 Cb 0.27 0.36 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 2x3y h HIS 183 CO 0.01 -0.33 0.44 0.82 0.86 0.00 0.00 177.93 179.74 2x3y h ILE 184 N -0.17 1.02 -0.61 2.45 2.04 -1.36 0.10 117.51 120.98 2x3y h ILE 184 Ca 0.20 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2x3y h ILE 184 Cb 0.49 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2x3y h ILE 184 CO -0.53 0.15 0.31 0.58 0.00 0.00 0.00 178.15 178.65 2x3y h VAL 185 N 0.82 1.21 -0.19 1.67 2.07 -0.59 -0.95 116.25 120.29 2x3y h VAL 185 Ca 0.32 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2x3y h VAL 185 Cb 0.15 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2x3y h VAL 185 CO -0.17 0.23 0.09 0.00 0.02 0.00 0.00 177.57 177.74 2x3y h GLY 187 N 0.17 0.31 0.96 0.00 0.00 -0.58 0.13 103.07 104.07 2x3y h GLY 187 Ca 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2x3y h GLY 187 CO -0.01 -0.14 0.21 1.41 0.00 0.00 0.00 176.54 178.01 2x3y h LEU 188 N 0.02 0.50 -0.11 3.11 3.38 -0.84 0.61 115.31 121.99 2x3y h LEU 188 Ca 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2x3y h LEU 188 Cb 0.29 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2x3y h LEU 188 CO -0.40 0.45 0.02 0.58 0.09 0.00 0.00 178.44 179.18 2x3y h VAL 189 N 0.50 1.22 -0.55 1.22 2.07 -0.97 -0.72 116.25 119.02 2x3y h VAL 189 Ca 0.14 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 67.08 2x3y h VAL 189 Cb 0.07 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 2x3y h VAL 189 CO -0.02 0.20 0.06 -0.08 0.02 0.00 0.00 177.57 177.75 2x3y h GLU 190 N -0.06 0.18 -0.15 1.57 4.81 -0.53 -1.91 114.58 118.50 2x3y h GLU 190 Ca 0.03 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2x3y h GLU 190 Cb 0.29 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2x3y h GLU 190 CO 0.00 0.12 -0.32 1.25 -0.73 0.00 0.00 179.01 179.33 2x3y h HIS 191 N 0.18 0.60 -0.92 0.92 2.76 -0.79 -1.62 115.15 116.29 2x3y h HIS 191 Ca 0.28 -0.22 0.07 0.00 -2.20 0.00 0.00 60.37 58.30 2x3y h HIS 191 Cb 0.43 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 2x3y h HIS 191 CO -0.28 0.95 0.58 1.03 -1.30 0.00 0.00 177.93 178.90 2x3y h SER 192 N 0.09 0.91 0.29 3.26 0.87 -0.90 0.22 113.55 118.29 2x3y h SER 192 Ca 0.00 0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.24 2x3y h SER 192 Cb 0.92 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2x3y h SER 192 CO 0.07 0.58 -1.71 0.40 -0.53 0.00 0.00 176.83 175.64 2x3y h ILE 193 N 1.04 0.96 -0.00 2.23 2.04 -1.35 -3.40 117.51 119.03 2x3y h ILE 193 Ca 0.40 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2x3y h ILE 193 Cb 0.19 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2x3y h ILE 193 CO -0.18 0.83 0.00 0.49 0.00 0.00 0.00 178.15 179.29 2x3y n PHE 194 N -3.50 0.00 0.84 1.37 0.99 -0.61 -5.11 117.46 111.44 2x3y n PHE 194 Ca -0.22 -0.32 0.07 0.00 -0.00 0.00 0.00 57.45 56.97 2x3y n PHE 194 Cb 1.06 -0.03 0.40 0.00 -1.00 0.00 0.00 39.48 39.91 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17