#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 0.70 -0.82 -0.14 5.08 -2.05 -1.71 114.58 115.64 2x3y h GLU 5 Ca 0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2x3y h GLU 5 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2x3y h GLU 5 CO 0.00 0.60 0.44 1.25 -1.00 0.00 0.00 179.01 180.31 2x3y h LEU 6 N 0.63 1.02 -0.32 1.33 5.85 -2.05 -1.36 115.31 120.41 2x3y h LEU 6 Ca 0.16 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2x3y h LEU 6 Cb 0.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2x3y h LEU 6 CO -0.02 0.82 0.15 0.74 -0.34 0.00 0.00 178.44 179.80 2x3y h THR 7 N 1.14 1.16 -0.54 1.05 2.02 -1.96 0.01 112.91 115.80 2x3y h THR 7 Ca 0.29 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2x3y h THR 7 Cb 0.03 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2x3y h THR 7 CO -0.05 0.16 0.34 0.22 0.37 0.00 0.00 175.52 176.57 2x3y h TYR 8 N 0.38 0.65 0.41 3.16 3.20 -0.96 0.01 116.97 123.83 2x3y h TYR 8 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2x3y h TYR 8 Cb 0.12 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2x3y h TYR 8 CO -0.02 0.39 -0.24 0.82 -1.64 0.00 0.00 178.16 177.48 2x3y h ILE 9 N 0.69 0.50 -0.30 1.81 2.04 -0.95 -2.06 117.51 119.25 2x3y h ILE 9 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 2x3y h ILE 9 Cb -0.04 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2x3y h ILE 9 CO -0.06 0.00 0.11 0.71 0.00 0.00 0.00 178.15 178.91 2x3y h THR 10 N -0.62 1.19 -0.97 -0.27 1.35 -0.87 -2.64 112.91 110.08 2x3y h THR 10 Ca -0.05 -0.57 0.13 0.00 -0.55 0.00 0.00 66.41 65.36 2x3y h THR 10 Cb 0.50 1.01 -0.09 0.00 -1.73 0.00 0.00 68.15 67.84 2x3y h THR 10 CO 0.06 0.20 0.59 0.78 -0.25 0.00 0.00 175.52 176.90 2x3y h ASN 11 N 0.33 0.85 -0.59 5.36 2.35 -1.00 0.18 115.58 123.06 2x3y h ASN 11 Ca 0.10 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2x3y h ASN 11 Cb 0.20 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2x3y h ASN 11 CO -0.01 0.43 0.12 0.28 -1.65 0.00 0.00 177.43 176.61 2x3y h SER 12 N 0.91 0.91 -0.32 5.81 0.02 -1.03 -0.27 113.55 119.58 2x3y h SER 12 Ca 0.49 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2x3y h SER 12 Cb 0.53 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2x3y h SER 12 CO -0.28 0.92 -0.27 0.40 -1.14 0.00 0.00 176.83 176.45 2x3y h ILE 13 N 0.86 1.29 -0.71 3.27 2.04 -1.15 -2.66 117.51 120.44 2x3y h ILE 13 Ca 0.18 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 2x3y h ILE 13 Cb 0.38 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2x3y h ILE 13 CO 0.01 0.47 0.44 0.00 0.00 0.00 0.00 178.15 179.06 2x3y h ALA 14 N 0.74 0.91 -0.92 1.87 0.00 -0.75 -0.15 119.26 120.95 2x3y h ALA 14 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2x3y h ALA 14 Cb 0.84 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2x3y h ALA 14 CO 0.07 0.37 0.55 1.49 0.00 0.00 0.00 179.25 181.74 2x3y h GLU 15 N 0.97 1.25 -0.47 0.00 4.57 -1.05 -1.10 114.58 118.75 2x3y h GLU 15 Ca 0.26 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.23 2x3y h GLU 15 Cb -0.05 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.27 2x3y h GLU 15 CO -0.05 0.87 -0.11 0.00 -1.18 0.00 0.00 179.01 178.54 2x3y h ALA 16 N 1.30 0.93 -0.62 2.92 0.00 -0.97 -0.77 119.26 122.06 2x3y h ALA 16 Ca 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2x3y h ALA 16 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2x3y h ALA 16 CO -0.06 0.62 0.21 0.37 0.00 0.00 0.00 179.25 180.40 2x3y h GLN 17 N 0.76 0.94 -0.68 0.00 4.15 -0.60 -1.79 115.11 117.91 2x3y h GLN 17 Ca 0.13 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 2x3y h GLN 17 Cb 0.61 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2x3y h GLN 17 CO 0.04 0.82 0.33 -0.09 -1.93 0.00 0.00 178.83 178.01 2x3y h ARG 18 N 0.87 0.97 -0.11 1.69 2.43 -0.78 -0.60 114.38 118.85 2x3y h ARG 18 Ca 0.20 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2x3y h ARG 18 Cb 0.26 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2x3y h ARG 18 CO -0.01 0.76 -0.03 0.28 -1.51 0.00 0.00 179.97 179.45 2x3y h VAL 19 N 0.93 0.88 -0.55 0.20 2.07 -0.72 0.12 116.25 119.17 2x3y h VAL 19 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 2x3y h VAL 19 Cb 0.10 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2x3y h VAL 19 CO -0.03 0.00 0.28 0.24 0.02 0.00 0.00 177.57 178.08 2x3y h MET 20 N -0.01 0.52 -0.30 1.57 2.86 -1.01 -0.19 114.93 118.38 2x3y h MET 20 Ca 0.05 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2x3y h MET 20 Cb 0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2x3y h MET 20 CO -0.12 0.35 0.17 0.00 1.06 0.00 0.00 176.91 178.37 2x3y h ALA 21 N 1.30 0.37 -0.78 6.32 0.00 -0.80 -0.47 119.26 125.19 2x3y h ALA 21 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2x3y h ALA 21 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2x3y h ALA 21 CO -0.17 -0.20 0.44 0.00 0.00 0.00 0.00 179.25 179.32 2x3y h ALA 22 N 1.13 1.30 -0.41 0.00 0.00 -0.27 -2.22 119.26 118.80 2x3y h ALA 22 Ca 0.12 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2x3y h ALA 22 Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2x3y h ALA 22 CO -0.05 0.57 -0.27 0.52 0.00 0.00 0.00 179.25 180.02 2x3y h MET 23 N 1.08 0.87 0.00 0.00 2.86 -0.74 -2.82 114.93 116.19 2x3y h MET 23 Ca 0.28 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2x3y h MET 23 Cb 0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2x3y h MET 23 CO -0.05 1.04 -0.12 1.25 1.06 0.00 0.00 176.91 180.09 2x3y h LEU 24 N 0.74 0.00 -1.87 1.22 5.85 -0.57 -2.27 115.31 118.42 2x3y h LEU 24 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2x3y h LEU 24 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2x3y h LEU 24 CO 0.07 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 2x3y n ALA 25 N -2.43 2.46 -3.30 1.25 0.00 -0.88 -4.75 120.51 112.87 2x3y n ALA 25 Ca -0.02 -0.79 -0.47 0.00 0.00 0.00 0.00 53.44 52.16 2x3y n ALA 25 Cb 0.20 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.64 6.82 0.29 0.00 -1.08 -0.85 -4.91 116.67 115.29 2x3y s ASP 26 Ca 0.35 -2.74 -0.03 0.00 -0.52 0.00 0.00 52.55 49.61 2x3y s ASP 26 Cb 0.21 -2.23 0.59 0.00 -1.46 0.00 0.00 42.92 40.04 2x3y s ASP 26 CO 0.30 -0.58 1.58 -0.08 0.52 0.00 0.00 175.17 176.91 2x3y h GLU 27 N 7.74 0.02 -0.04 4.34 4.81 -1.85 -1.97 114.58 127.62 2x3y h GLU 27 Ca 0.12 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2x3y h GLU 27 Cb 1.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2x3y h GLU 27 CO 0.81 0.01 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.93 2x3y h ARG 28 N 0.02 0.12 -0.50 1.92 2.43 -1.96 -1.50 114.38 114.91 2x3y h ARG 28 Ca 0.52 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.72 2x3y h ARG 28 Cb 0.97 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.43 2x3y h ARG 28 CO -0.92 0.67 -0.18 1.25 -1.51 0.00 0.00 179.97 179.28 2x3y h LEU 29 N -0.41 -0.64 -0.85 3.80 6.46 -1.85 -0.20 115.31 121.62 2x3y h LEU 29 Ca 0.00 0.17 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 2x3y h LEU 29 Cb 0.67 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 40.92 2x3y h LEU 29 CO 0.02 -0.22 0.55 -0.07 -0.62 0.00 0.00 178.44 178.10 2x3y h LEU 30 N -0.07 0.90 -1.48 2.25 3.38 -1.17 0.50 115.31 119.62 2x3y h LEU 30 Ca 0.24 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2x3y h LEU 30 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2x3y h LEU 30 CO -0.55 0.61 -0.23 0.00 0.09 0.00 0.00 178.44 178.36 2x3y h ALA 31 N 1.36 1.57 -0.00 1.53 0.00 -0.43 -2.68 119.26 120.61 2x3y h ALA 31 Ca 0.35 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 2x3y h ALA 31 Cb 0.03 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2x3y h ALA 31 CO -0.12 0.32 -0.95 1.15 0.00 0.00 0.00 179.25 179.65 2x3y h THR 32 N 0.04 1.31 -0.84 0.00 2.02 0.76 -2.30 112.91 113.89 2x3y h THR 32 Ca 0.01 -2.20 0.16 0.00 0.77 0.00 0.00 66.41 65.14 2x3y h THR 32 Cb 0.44 2.41 -0.10 0.00 -1.74 0.00 0.00 68.15 69.16 2x3y h THR 32 CO 0.03 0.67 0.40 0.58 0.37 0.00 0.00 175.52 177.57 2x3y h VAL 33 N 0.30 0.66 -0.54 3.16 2.07 -0.79 0.32 116.25 121.43 2x3y h VAL 33 Ca -0.12 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2x3y h VAL 33 Cb 1.61 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2x3y h VAL 33 CO 0.19 0.10 0.02 -0.09 0.02 0.00 0.00 177.57 177.81 2x3y h ARG 34 N 0.54 0.93 -0.43 1.57 2.43 -1.29 -2.36 114.38 115.77 2x3y h ARG 34 Ca 0.47 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2x3y h ARG 34 Cb 0.74 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2x3y h ARG 34 CO -0.41 0.94 -0.14 0.87 -1.51 0.00 0.00 179.97 179.72 2x3y h LYS 35 N 0.81 0.81 -0.02 0.20 1.57 -0.67 -1.77 116.57 117.50 2x3y h LYS 35 Ca 0.15 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2x3y h LYS 35 Cb 0.50 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2x3y h LYS 35 CO 0.02 0.91 -0.00 0.28 -0.57 0.00 0.00 179.45 180.09 2x3y h VAL 36 N 0.72 0.98 -0.60 0.50 2.07 -0.81 0.19 116.25 119.31 2x3y h VAL 36 Ca 0.11 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 2x3y h VAL 36 Cb 0.64 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2x3y h VAL 36 CO 0.05 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.90 2x3y h ALA 37 N 1.02 0.78 -0.63 1.67 0.00 -1.34 -1.82 119.26 118.95 2x3y h ALA 37 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2x3y h ALA 37 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2x3y h ALA 37 CO -0.02 -0.12 0.20 -0.44 0.00 0.00 0.00 179.25 178.87 2x3y h ASP 38 N 0.49 0.88 -0.26 0.00 3.32 -0.81 -1.09 116.42 118.95 2x3y h ASP 38 Ca 0.29 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.21 2x3y h ASP 38 Cb 0.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2x3y h ASP 38 CO -0.25 0.82 0.13 0.00 -1.72 0.00 0.00 179.24 178.22 2x3y h ALA 39 N 1.30 0.31 -0.56 3.45 0.00 0.16 -0.90 119.26 123.02 2x3y h ALA 39 Ca 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2x3y h ALA 39 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2x3y h ALA 39 CO -0.01 -0.26 0.19 0.00 0.00 0.00 0.00 179.25 179.16 2x3y h ILE 41 N 0.78 1.05 -0.61 0.00 2.04 -1.00 -0.91 117.51 118.87 2x3y h ILE 41 Ca 0.18 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 2x3y h ILE 41 Cb 0.27 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2x3y h ILE 41 CO -0.01 0.06 0.03 0.00 0.00 0.00 0.00 178.15 178.23 2x3y h ALA 42 N 1.10 0.82 0.07 1.87 0.00 -1.04 -0.12 119.26 121.96 2x3y h ALA 42 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2x3y h ALA 42 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2x3y h ALA 42 CO -0.03 0.64 -0.03 1.03 0.00 0.00 0.00 179.25 180.86 2x3y h SER 43 N 0.97 -0.07 -0.85 0.00 0.87 -1.08 -2.53 113.55 110.85 2x3y h SER 43 Ca 0.18 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2x3y h SER 43 Cb 0.52 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 2x3y h SER 43 CO 0.03 0.03 0.54 0.40 -0.53 0.00 0.00 176.83 177.30 2x3y h ILE 44 N -0.18 1.22 0.00 2.23 2.04 -1.09 0.30 117.51 122.04 2x3y h ILE 44 Ca -0.01 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2x3y h ILE 44 Cb 0.15 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2x3y h ILE 44 CO 0.01 0.22 -0.03 0.00 0.00 0.00 0.00 178.15 178.36 2x3y h ALA 45 N 1.30 1.14 -0.47 1.87 0.00 -0.78 -1.22 119.26 121.10 2x3y h ALA 45 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2x3y h ALA 45 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2x3y h ALA 45 CO -0.06 0.04 0.00 0.94 0.00 0.00 0.00 179.25 180.16 2x3y n GLN 46 N -3.33 2.52 -0.04 0.00 0.00 -0.86 -4.93 117.38 110.75 2x3y n GLN 46 Ca -0.02 -2.27 0.00 0.00 -0.00 0.00 0.00 57.00 54.71 2x3y n GLN 46 Cb 0.16 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 28.95 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 1.23 0.96 1.47 1.69 0.00 -0.46 -5.07 105.19 105.00 2x3y n GLY 47 Ca 0.18 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 -2.04 0.08 3.27 -0.02 0.00 0.10 -4.96 105.19 101.63 2x3y n GLY 48 Ca 0.00 -1.89 -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 -3.63 1.18 -0.15 1.61 -2.85 -1.26 -4.30 119.74 110.34 2x3y s LYS 49 Ca 0.26 -1.46 -0.02 0.00 -1.00 0.00 0.00 55.97 53.75 2x3y s LYS 49 Cb -0.01 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 36.05 2x3y s LYS 49 CO 0.18 -0.40 -0.10 0.08 0.10 0.00 0.00 175.35 175.21 2x3y s VAL 50 N -4.08 3.30 -0.01 1.79 1.01 -0.51 -1.71 120.40 120.18 2x3y s VAL 50 Ca 0.30 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2x3y s VAL 50 Cb 0.05 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2x3y s VAL 50 CO 0.07 0.50 -0.04 -0.76 0.00 0.00 0.00 175.10 174.88 2x3y s LEU 51 N 0.51 3.31 0.04 3.92 1.43 0.39 -0.59 118.68 127.69 2x3y s LEU 51 Ca -0.07 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2x3y s LEU 51 Cb -0.15 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2x3y s LEU 51 CO 0.04 0.30 -0.19 -0.76 0.23 0.00 0.00 176.35 175.97 2x3y s LEU 52 N -1.34 2.16 -0.04 1.79 1.02 -0.56 -0.09 118.68 121.62 2x3y s LEU 52 Ca 0.17 -0.49 -0.05 0.00 0.02 0.00 0.00 54.13 53.77 2x3y s LEU 52 Cb -0.11 -0.89 0.01 0.00 0.02 0.00 0.00 46.19 45.22 2x3y s LEU 52 CO 0.07 0.14 0.14 0.00 0.02 0.00 0.00 176.35 176.72 2x3y s ALA 53 N -0.78 -0.34 -0.09 4.21 0.00 -0.10 -0.71 121.76 123.96 2x3y s ALA 53 Ca 0.06 0.28 -0.32 0.00 0.00 0.00 0.00 51.96 51.98 2x3y s ALA 53 Cb -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 23.12 22.99 2x3y s ALA 53 CO 0.01 -0.10 1.09 0.20 0.00 0.00 0.00 175.76 176.97 2x3y s GLY 54 N -0.23 -0.36 0.10 0.00 0.00 -1.26 -0.50 107.32 105.07 2x3y s GLY 54 Ca -0.03 1.21 0.06 0.00 0.00 0.00 0.00 44.72 45.96 2x3y s GLY 54 CO 0.00 0.39 -0.03 -1.31 0.00 0.00 0.00 173.10 172.16 2x3y s ASN 55 N -2.41 4.82 1.29 1.64 0.01 -1.26 -3.69 114.94 115.35 2x3y s ASN 55 Ca 0.09 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2x3y s ASN 55 Cb -0.00 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.58 2x3y s ASN 55 CO -0.06 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 2x3y n GLY 56 N 0.52 3.49 0.30 0.66 0.00 -1.26 -1.08 105.19 107.82 2x3y n GLY 56 Ca -0.11 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.37 2.00 -0.02 0.00 -2.01 0.10 103.07 104.51 2x3y h GLY 57 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2x3y h GLY 57 CO 0.00 -0.09 0.00 1.44 0.00 0.00 0.00 176.54 177.89 2x3y n SER 58 N -4.92 0.33 -0.01 0.19 7.64 -0.24 -1.75 113.62 114.85 2x3y n SER 58 Ca 0.18 0.56 -0.17 0.00 1.01 0.00 0.00 58.87 60.45 2x3y n SER 58 Cb 0.47 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 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 2.51 0.21 -0.40 -0.43 0.00 -0.68 -1.75 119.26 118.71 2x3y h ALA 59 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.38 2x3y h ALA 59 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2x3y h ALA 59 CO 0.00 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.96 2x3y h ALA 60 N 0.47 0.50 -0.85 0.00 0.00 -1.12 -2.83 119.26 115.43 2x3y h ALA 60 Ca -0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2x3y h ALA 60 Cb 1.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2x3y h ALA 60 CO 0.14 -0.17 0.55 -0.44 0.00 0.00 0.00 179.25 179.32 2x3y h ASP 61 N 0.39 0.92 -0.57 0.00 3.32 -1.39 -0.43 116.42 118.67 2x3y h ASP 61 Ca 0.17 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.28 2x3y h ASP 61 Cb 0.09 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2x3y h ASP 61 CO -0.13 0.64 0.27 0.00 -1.72 0.00 0.00 179.24 178.30 2x3y h ALA 62 N 1.34 0.73 0.06 3.45 0.00 -1.08 -2.09 119.26 121.68 2x3y h ALA 62 Ca 0.33 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 2x3y h ALA 62 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2x3y h ALA 62 CO -0.10 -0.10 -1.12 -0.56 0.00 0.00 0.00 179.25 177.36 2x3y h GLN 63 N 0.50 0.13 -0.67 0.00 3.07 -1.29 -2.60 115.11 114.25 2x3y h GLN 63 Ca 0.26 -0.23 0.11 0.00 0.09 0.00 0.00 58.65 58.89 2x3y h GLN 63 Cb 0.22 0.08 -0.12 0.00 0.08 0.00 0.00 27.48 27.75 2x3y h GLN 63 CO -0.21 1.11 -0.35 1.25 0.09 0.00 0.00 178.83 180.71 2x3y h HIS 64 N 0.04 -0.99 -0.31 0.06 2.76 -0.78 0.78 115.15 116.71 2x3y h HIS 64 Ca -0.07 0.08 -0.13 0.00 -2.20 0.00 0.00 60.37 58.05 2x3y h HIS 64 Cb 1.87 0.53 -0.00 0.00 1.55 0.00 0.00 27.41 31.36 2x3y h HIS 64 CO 0.03 -0.39 -0.31 0.82 -1.30 0.00 0.00 177.93 176.78 2x3y h ILE 65 N -0.14 1.29 -0.62 6.26 1.08 -1.37 -2.75 117.51 121.27 2x3y h ILE 65 Ca 0.25 -1.49 0.06 0.00 -0.39 0.00 0.00 64.86 63.30 2x3y h ILE 65 Cb 0.56 1.54 -0.06 0.00 -3.07 0.00 0.00 36.82 35.80 2x3y h ILE 65 CO -0.74 0.48 0.32 0.00 -0.69 0.00 0.00 178.15 177.52 2x3y h ALA 66 N 0.72 0.82 -0.97 1.87 0.00 -1.05 -1.47 119.26 119.18 2x3y h ALA 66 Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2x3y h ALA 66 Cb 0.89 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2x3y h ALA 66 CO 0.08 -0.03 0.62 0.78 0.00 0.00 0.00 179.25 180.70 2x3y h GLY 67 N 0.59 1.47 2.00 0.00 0.00 -0.66 -0.81 103.07 105.65 2x3y h GLY 67 Ca 0.28 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2x3y h GLY 67 CO -0.20 0.27 -0.47 0.83 0.00 0.00 0.00 176.54 176.97 2x3y h GLU 68 N 1.06 0.00 -0.17 4.80 5.08 -1.04 0.05 114.58 124.36 2x3y h GLU 68 Ca 0.43 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.71 2x3y h GLU 68 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2x3y h GLU 68 CO -0.19 0.47 -0.23 0.74 -1.00 0.00 0.00 179.01 178.80 2x3y h PHE 69 N 0.00 0.56 0.11 4.33 0.04 -0.79 -3.22 116.94 117.97 2x3y h PHE 69 Ca -0.00 -0.19 -0.20 0.00 2.80 0.00 0.00 57.97 60.38 2x3y h PHE 69 Cb 1.18 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 39.23 2x3y h PHE 69 CO 0.00 0.87 -0.94 0.28 -0.60 0.00 0.00 178.31 177.92 2x3y h VAL 70 N 0.10 1.37 0.00 -0.55 2.07 -1.07 -0.61 116.25 117.55 2x3y h VAL 70 Ca 0.02 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2x3y h VAL 70 Cb 0.80 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2x3y h VAL 70 CO 0.05 0.68 0.00 -0.24 0.02 0.00 0.00 177.57 178.09 2x3y n SER 71 N -4.13 0.00 -3.55 0.57 2.88 -0.00 -4.15 113.62 105.25 2x3y n SER 71 Ca -0.18 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.23 2x3y n SER 71 Cb 0.81 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.14 1.08 -0.01 -1.46 1.70 -1.23 -4.67 118.95 114.48 2x3y s ARG 72 Ca 0.00 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 54.98 2x3y s ARG 72 Cb 0.00 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.87 2x3y s ARG 72 CO 0.00 -0.40 -0.04 0.34 -1.08 0.00 0.00 175.30 174.12 2x3y n PHE 73 N 0.28 0.00 -0.02 5.89 -0.00 -1.22 -4.60 117.46 117.79 2x3y n PHE 73 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.28 2x3y n PHE 73 Cb 0.61 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.48 39.97 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 -2.79 2.13 -3.26 3.13 0.00 -1.26 -5.07 120.51 113.38 2x3y n ALA 74 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2x3y n ALA 74 Cb 0.06 -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 -2.42 -0.16 0.11 0.00 -0.12 -1.26 -5.14 117.98 109.00 2x3y s PHE 75 Ca -0.03 -0.17 -0.31 0.00 -0.05 0.00 0.00 56.93 56.36 2x3y s PHE 75 Cb 0.04 0.38 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 2x3y s PHE 75 CO 0.32 -0.88 1.36 -0.51 -0.05 0.00 0.00 175.22 175.46 2x3y s ASP 76 N -2.86 6.86 0.21 1.98 1.11 -1.26 -4.88 116.67 117.84 2x3y s ASP 76 Ca 0.08 2.28 -0.21 0.00 0.18 0.00 0.00 52.55 54.88 2x3y s ASP 76 Cb -0.01 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.47 2x3y s ASP 76 CO -0.05 -0.62 1.00 0.00 1.18 0.00 0.00 175.17 176.68 2x3y s ARG 77 N 1.06 1.43 0.81 8.23 1.04 -1.26 -5.15 118.95 125.11 2x3y s ARG 77 Ca 0.63 -0.92 -0.11 0.00 -1.04 0.00 0.00 55.73 54.30 2x3y s ARG 77 Cb -0.36 0.40 0.08 0.00 -2.04 0.00 0.00 34.95 33.04 2x3y s ARG 77 CO 0.30 -0.67 1.12 -2.14 -0.04 0.00 0.00 175.30 173.87 2x3y s PRO 78 N -2.23 1.89 0.47 3.89 0.02 -1.26 -4.98 135.00 132.81 2x3y s PRO 78 Ca 0.21 1.33 -0.23 0.00 0.02 0.00 0.00 61.00 62.33 2x3y s PRO 78 Cb -0.03 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 2x3y s PRO 78 CO 0.06 -1.94 1.24 0.20 -0.33 0.00 0.00 177.00 176.23 2x3y s GLY 79 N -3.05 2.84 0.09 0.52 0.00 -1.26 -4.99 107.32 101.47 2x3y s GLY 79 Ca 0.64 1.09 0.03 0.00 0.00 0.00 0.00 44.72 46.47 2x3y s GLY 79 CO 0.55 1.59 0.12 1.08 0.00 0.00 0.00 173.10 176.44 2x3y s LEU 80 N -3.03 3.95 -0.93 0.66 1.43 -0.24 -4.98 118.68 115.54 2x3y s LEU 80 Ca 0.64 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.55 2x3y s LEU 80 Cb -0.33 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.32 2x3y s LEU 80 CO 0.41 0.15 1.47 -2.84 0.23 0.00 0.00 176.35 175.77 2x3y s PRO 81 N -2.54 3.37 -0.01 1.29 0.02 -1.26 -3.90 135.00 131.97 2x3y s PRO 81 Ca 0.31 -0.79 0.02 0.00 0.02 0.00 0.00 61.00 60.56 2x3y s PRO 81 Cb -0.12 -5.04 -0.00 0.00 0.02 0.00 0.00 34.50 29.36 2x3y s PRO 81 CO 0.24 -2.32 -0.07 0.00 -0.33 0.00 0.00 177.00 174.52 2x3y s ALA 82 N 5.76 0.58 -0.10 -1.55 0.00 -1.26 -1.43 121.76 123.77 2x3y s ALA 82 Ca 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 2x3y s ALA 82 Cb -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2x3y s ALA 82 CO -0.03 0.12 -0.05 0.08 0.00 0.00 0.00 175.76 175.89 2x3y s VAL 83 N -0.04 0.81 -0.02 0.00 1.01 0.25 -4.88 120.40 117.52 2x3y s VAL 83 Ca 0.01 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 2x3y s VAL 83 Cb -0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2x3y s VAL 83 CO -0.00 0.33 0.88 0.00 0.00 0.00 0.00 175.10 176.31 2x3y s ALA 84 N 1.73 3.22 -0.55 5.51 0.00 -1.26 -1.49 121.76 128.91 2x3y s ALA 84 Ca 0.04 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.46 2x3y s ALA 84 Cb -0.13 -3.20 0.42 0.00 0.00 0.00 0.00 23.12 20.21 2x3y s ALA 84 CO -0.07 -0.19 1.20 1.28 0.00 0.00 0.00 175.76 177.99 2x3y n LEU 85 N 3.87 3.70 -0.12 0.00 4.77 0.12 -4.03 117.00 125.31 2x3y n LEU 85 Ca 0.03 -1.89 0.03 0.00 -0.03 0.00 0.00 56.01 54.16 2x3y n LEU 85 Cb 0.51 -0.61 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2x3y n LEU 85 CO 0.50 0.49 0.54 0.35 -1.33 0.00 0.00 177.39 177.95 2x3y n THR 86 N 0.23 1.28 -0.08 -5.08 -2.24 -1.26 -4.77 114.28 102.36 2x3y n THR 86 Ca 0.17 -1.36 -0.09 0.00 -2.27 0.00 0.00 64.05 60.50 2x3y n THR 86 Cb 0.80 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.64 0.96 -2.74 4.28 -2.24 -1.26 -4.91 114.28 107.73 2x3y n THR 87 Ca 0.06 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2x3y n THR 87 Cb 0.39 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 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 -5.09 6.30 0.47 3.42 -1.08 -1.26 -4.90 116.67 114.53 2x3y s ASP 88 Ca -0.14 -0.41 0.30 0.00 -0.52 0.00 0.00 52.55 51.78 2x3y s ASP 88 Cb 0.05 -2.48 1.06 0.00 -1.46 0.00 0.00 42.92 40.10 2x3y s ASP 88 CO 0.49 -1.42 1.86 0.71 0.52 0.00 0.00 175.17 177.33 2x3y h THR 89 N 6.04 0.00 -0.14 1.71 1.35 -1.99 -0.23 112.91 119.65 2x3y h THR 89 Ca -0.27 -0.59 -0.17 0.00 -0.55 0.00 0.00 66.41 64.83 2x3y h THR 89 Cb 1.07 1.55 0.01 0.00 -1.73 0.00 0.00 68.15 69.05 2x3y h THR 89 CO 1.16 0.00 -0.59 0.28 -0.25 0.00 0.00 175.52 176.12 2x3y h SER 90 N 0.00 0.76 0.15 5.36 0.02 -1.98 -2.07 113.55 115.79 2x3y h SER 90 Ca 0.00 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2x3y h SER 90 Cb 0.61 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2x3y h SER 90 CO 0.00 1.26 -0.07 0.40 -1.14 0.00 0.00 176.83 177.27 2x3y h ILE 91 N 0.31 0.91 0.04 3.27 2.04 -1.86 -0.63 117.51 121.60 2x3y h ILE 91 Ca -0.03 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.60 2x3y h ILE 91 Cb 1.22 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2x3y h ILE 91 CO 0.12 0.06 -0.10 -0.07 0.00 0.00 0.00 178.15 178.16 2x3y h LEU 92 N -0.32 -0.27 -0.88 1.44 3.38 -1.10 -0.53 115.31 117.04 2x3y h LEU 92 Ca -0.02 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2x3y h LEU 92 Cb 0.25 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2x3y h LEU 92 CO 0.03 -0.15 -0.34 0.71 0.09 0.00 0.00 178.44 178.78 2x3y h THR 93 N -0.19 0.78 -0.03 0.22 1.35 -1.41 -1.81 112.91 111.82 2x3y h THR 93 Ca 0.02 -1.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.38 2x3y h THR 93 Cb 0.21 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2x3y h THR 93 CO -0.07 0.34 -0.06 0.00 -0.25 0.00 0.00 175.52 175.48 2x3y h ALA 94 N 1.66 0.05 -0.38 6.62 0.00 -0.72 -2.63 119.26 123.85 2x3y h ALA 94 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2x3y h ALA 94 Cb 0.91 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2x3y h ALA 94 CO 0.04 -0.12 0.25 0.82 0.00 0.00 0.00 179.25 180.25 2x3y h ILE 95 N -0.44 1.07 0.40 0.00 2.04 -1.07 0.17 117.51 119.68 2x3y h ILE 95 Ca 0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2x3y h ILE 95 Cb 0.64 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2x3y h ILE 95 CO 0.01 0.09 -0.51 1.23 0.00 0.00 0.00 178.15 178.97 2x3y h GLY 96 N 0.48 -1.24 0.87 5.37 0.00 -1.21 -1.23 103.07 106.10 2x3y h GLY 96 Ca 0.15 0.60 -0.06 0.00 0.00 0.00 0.00 47.33 48.02 2x3y h GLY 96 CO -0.03 -0.35 -0.08 3.43 0.00 0.00 0.00 176.54 179.51 2x3y h ASN 97 N -0.93 0.54 0.06 0.19 4.21 -1.14 -2.15 115.58 116.35 2x3y h ASN 97 Ca -0.05 -0.38 -0.20 0.00 1.21 0.00 0.00 56.30 56.88 2x3y h ASN 97 Cb 0.83 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2x3y h ASN 97 CO -0.12 0.79 -0.74 0.44 -1.29 0.00 0.00 177.43 176.52 2x3y h ASP 98 N 0.27 0.70 0.00 5.81 3.32 -0.69 -3.39 116.42 122.44 2x3y h ASP 98 Ca 0.07 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2x3y h ASP 98 Cb 0.57 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2x3y h ASP 98 CO 0.03 1.22 0.00 -1.22 -1.72 0.00 0.00 179.24 177.55 2x3y n TYR 99 N -3.89 0.00 0.00 4.55 4.01 -0.55 -5.06 117.16 116.22 2x3y n TYR 99 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2x3y n TYR 99 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 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 0.24 2.16 0.20 2.72 0.00 -0.72 -4.67 105.19 105.12 2x3y n GLY 100 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 0.00 1.61 3.20 -1.77 -1.44 116.97 118.57 2x3y h TYR 101 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2x3y h TYR 101 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x3y h TYR 101 CO 0.00 0.00 0.00 -1.91 -1.64 0.00 0.00 178.16 174.61 2x3y n GLU 102 N -2.42 0.24 0.00 1.82 2.13 -1.26 -3.22 120.64 117.92 2x3y n GLU 102 Ca -0.02 0.24 0.12 0.00 0.66 0.00 0.00 57.16 58.16 2x3y n GLU 102 Cb 0.05 -1.80 0.24 0.00 0.27 0.00 0.00 31.44 30.19 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 -2.21 0.54 -0.22 5.31 4.76 -0.54 -4.43 118.16 121.37 2x3y n LYS 103 Ca 0.05 -0.36 0.01 0.00 -2.87 0.00 0.00 58.31 55.15 2x3y n LYS 103 Cb 0.39 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.91 -0.29 -0.09 -0.35 4.77 -1.20 -1.26 117.00 117.67 2x3y n LEU 104 Ca 0.09 1.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.98 2x3y n LEU 104 Cb 0.36 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 2x3y n LEU 104 CO 0.31 -0.94 -1.06 0.49 -1.33 0.00 0.00 177.39 174.86 2x3y n PHE 105 N -4.91 0.00 -0.20 -1.77 0.99 -1.26 -4.14 117.46 106.18 2x3y n PHE 105 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.57 2x3y n PHE 105 Cb 0.26 -0.76 0.31 0.00 -1.00 0.00 0.00 39.48 38.29 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 0.75 -0.22 4.37 4.64 -1.66 -0.32 113.55 121.11 2x3y h SER 106 Ca -0.43 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 2x3y h SER 106 Cb 1.83 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2x3y h SER 106 CO -0.02 0.51 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.14 2x3y h ARG 107 N 0.86 0.54 -0.88 4.77 2.43 -1.39 -1.40 114.38 119.31 2x3y h ARG 107 Ca 0.30 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2x3y h ARG 107 Cb 0.12 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2x3y h ARG 107 CO -0.09 0.87 0.52 1.96 -1.51 0.00 0.00 179.97 181.72 2x3y h GLN 108 N 0.23 1.21 -0.47 0.20 4.20 -1.63 -0.59 115.11 118.26 2x3y h GLN 108 Ca 0.04 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2x3y h GLN 108 Cb 0.77 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2x3y h GLN 108 CO 0.06 0.86 0.30 0.28 -0.67 0.00 0.00 178.83 179.66 2x3y h VAL 109 N 1.22 1.13 -0.33 -0.54 2.07 -0.99 -1.02 116.25 117.79 2x3y h VAL 109 Ca 0.31 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2x3y h VAL 109 Cb -0.03 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2x3y h VAL 109 CO -0.06 0.13 0.22 -0.61 0.02 0.00 0.00 177.57 177.27 2x3y h GLN 110 N 0.64 0.44 -0.56 1.57 -0.00 -0.71 0.11 115.11 116.59 2x3y h GLN 110 Ca 0.17 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.74 2x3y h GLN 110 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.31 2x3y h GLN 110 CO -0.04 0.29 0.13 0.00 0.00 0.00 0.00 178.83 179.22 2x3y h ALA 111 N 1.12 0.74 0.00 3.38 0.00 -0.97 -3.38 119.26 120.15 2x3y h ALA 111 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2x3y h ALA 111 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2x3y h ALA 111 CO -0.03 0.45 -1.83 1.28 0.00 0.00 0.00 179.25 179.12 2x3y n LEU 112 N -4.39 0.00 -4.78 0.00 4.77 -0.40 -5.02 117.00 107.18 2x3y n LEU 112 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 2x3y n LEU 112 Cb 0.24 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2x3y n LEU 112 CO 0.41 0.25 0.78 -0.83 -1.33 0.00 0.00 177.39 176.67 2x3y s GLY 113 N -4.37 2.73 0.09 -0.72 0.00 0.38 -5.06 107.32 100.37 2x3y s GLY 113 Ca -0.06 0.82 0.06 0.00 0.00 0.00 0.00 44.72 45.54 2x3y s GLY 113 CO 0.54 1.25 -0.16 -1.31 0.00 0.00 0.00 173.10 173.42 2x3y s ASN 114 N -1.51 1.97 0.13 1.64 0.01 -1.26 -4.93 114.94 110.98 2x3y s ASN 114 Ca 0.63 -0.69 -0.34 0.00 -0.71 0.00 0.00 52.86 51.74 2x3y s ASN 114 Cb -0.25 -0.08 -0.17 0.00 0.41 0.00 0.00 41.25 41.17 2x3y s ASN 114 CO 0.30 -0.07 1.13 1.21 -1.51 0.00 0.00 177.10 178.17 2x3y n GLU 115 N 1.00 0.89 0.00 -0.60 2.13 -1.23 -1.07 120.64 121.77 2x3y n GLU 115 Ca -0.19 0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.95 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 2.03 2.28 3.60 8.31 0.00 -0.87 -4.96 105.19 115.57 2x3y n GLY 116 Ca 0.17 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 -1.64 1.35 -0.02 1.61 1.01 -0.23 -4.66 116.67 114.09 2x3y s ASP 117 Ca 0.00 0.89 0.07 0.00 0.71 0.00 0.00 52.55 54.21 2x3y s ASP 117 Cb 0.00 -1.32 -0.02 0.00 1.01 0.00 0.00 42.92 42.59 2x3y s ASP 117 CO 0.00 -3.89 -0.22 -0.69 0.21 0.00 0.00 175.17 170.59 2x3y s VAL 118 N -2.91 1.71 -0.21 -1.27 1.01 -0.70 -1.52 120.40 116.52 2x3y s VAL 118 Ca 0.69 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2x3y s VAL 118 Cb -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2x3y s VAL 118 CO 0.57 0.48 -0.10 -0.22 0.00 0.00 0.00 175.10 175.84 2x3y s LEU 119 N -0.47 2.64 -0.28 3.92 2.96 0.07 -0.46 118.68 127.07 2x3y s LEU 119 Ca 0.07 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 2x3y s LEU 119 Cb -0.09 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2x3y s LEU 119 CO -0.01 -0.01 0.16 -0.63 -1.32 0.00 0.00 176.35 174.55 2x3y s ILE 120 N 1.39 5.02 -0.07 6.68 1.01 0.87 -0.70 121.20 135.40 2x3y s ILE 120 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2x3y s ILE 120 Cb -0.14 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 2x3y s ILE 120 CO -0.06 0.25 -0.23 -0.83 0.00 0.00 0.00 174.94 174.07 2x3y s GLY 121 N 1.71 1.22 -0.13 6.18 0.00 0.12 -0.92 107.32 115.50 2x3y s GLY 121 Ca 0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 2x3y s GLY 121 CO 0.09 -0.42 0.04 -0.19 0.00 0.00 0.00 173.10 172.62 2x3y s TYR 122 N 0.13 3.24 -0.24 1.90 2.02 0.34 -1.54 117.35 123.20 2x3y s TYR 122 Ca -0.11 0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 2x3y s TYR 122 Cb -0.15 -1.94 0.11 0.00 -0.40 0.00 0.00 41.96 39.58 2x3y s TYR 122 CO 0.06 0.33 0.50 0.45 -1.57 0.00 0.00 175.55 175.32 2x3y s SER 123 N -0.29 -0.58 0.29 2.29 0.15 -0.80 -4.42 113.70 110.35 2x3y s SER 123 Ca 0.08 1.12 0.15 0.00 0.70 0.00 0.00 55.95 57.99 2x3y s SER 123 Cb -0.12 1.70 0.30 0.00 -1.71 0.00 0.00 66.02 66.19 2x3y s SER 123 CO 0.02 -0.24 1.55 0.71 1.20 0.00 0.00 173.24 176.48 2x3y h THR 124 N 6.11 1.04 0.00 6.45 1.35 -1.93 -3.16 112.91 122.76 2x3y h THR 124 Ca -0.17 -2.11 -0.13 0.00 -0.55 0.00 0.00 66.41 63.45 2x3y h THR 124 Cb 1.11 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.78 2x3y h THR 124 CO 0.13 0.52 -0.87 0.77 -0.25 0.00 0.00 175.52 175.83 2x3y h SER 125 N 0.00 0.00 0.00 5.36 4.64 -1.96 -3.32 113.55 118.28 2x3y h SER 125 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2x3y h SER 125 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2x3y h SER 125 CO 0.07 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 2x3y n GLY 126 N 1.29 1.44 0.00 -0.77 0.00 -1.19 -4.86 105.19 101.10 2x3y n GLY 126 Ca -0.02 0.00 0.02 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 5.68 -1.38 1.61 5.02 -1.26 -4.36 118.16 121.47 2x3y n LYS 127 Ca 0.00 -0.00 -0.52 0.00 -2.02 0.00 0.00 58.31 55.77 2x3y n LYS 127 Cb 0.00 -0.69 -0.11 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.10 1.08 -0.30 4.39 7.64 -1.26 -4.82 113.62 119.26 2x3y n SER 128 Ca 0.01 0.42 0.02 0.00 1.01 0.00 0.00 58.87 60.32 2x3y n SER 128 Cb 0.06 -1.04 0.15 0.00 -1.01 0.00 0.00 64.21 62.38 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 11.24 0.87 0.00 1.43 0.11 -1.97 -1.10 132.00 142.58 2x3y h PRO 129 Ca -0.14 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 2x3y h PRO 129 Cb 1.36 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2x3y h PRO 129 CO 1.15 0.57 -0.20 -2.95 -0.21 0.00 0.00 178.00 176.36 2x3y h ASN 130 N 0.89 0.00 -0.02 -2.05 7.08 -1.88 -0.83 115.58 118.77 2x3y h ASN 130 Ca 0.39 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.52 2x3y h ASN 130 Cb 0.26 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.51 2x3y h ASN 130 CO -0.21 0.20 -0.32 0.40 -2.08 0.00 0.00 177.43 175.42 2x3y h ILE 131 N 0.00 1.48 -0.51 6.14 1.08 -1.58 -2.58 117.51 121.54 2x3y h ILE 131 Ca -0.00 -1.87 0.01 0.00 -0.39 0.00 0.00 64.86 62.61 2x3y h ILE 131 Cb 0.74 2.58 -0.03 0.00 -3.07 0.00 0.00 36.82 37.03 2x3y h ILE 131 CO 0.03 0.53 0.33 -0.07 -0.69 0.00 0.00 178.15 178.27 2x3y h LEU 132 N -0.32 0.56 -1.24 1.44 3.38 -1.07 -1.67 115.31 116.38 2x3y h LEU 132 Ca -0.03 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2x3y h LEU 132 Cb 1.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2x3y h LEU 132 CO 0.06 0.40 0.52 0.00 0.09 0.00 0.00 178.44 179.51 2x3y h ALA 133 N 1.20 1.47 -0.58 1.53 0.00 -1.24 -1.72 119.26 119.92 2x3y h ALA 133 Ca 0.19 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2x3y h ALA 133 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 2x3y h ALA 133 CO -0.06 0.48 0.36 0.00 0.00 0.00 0.00 179.25 180.03 2x3y h ALA 134 N 1.52 0.75 -0.66 0.00 0.00 -0.90 -2.38 119.26 117.59 2x3y h ALA 134 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2x3y h ALA 134 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2x3y h ALA 134 CO -0.07 0.09 0.43 0.74 0.00 0.00 0.00 179.25 180.44 2x3y h PHE 135 N 0.70 0.84 -0.04 0.00 0.04 -0.58 -0.35 116.94 117.56 2x3y h PHE 135 Ca 0.23 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.04 2x3y h PHE 135 Cb 0.02 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 2x3y h PHE 135 CO -0.06 0.54 -0.06 0.00 -0.60 0.00 0.00 178.31 178.14 2x3y h ARG 136 N 0.90 -0.08 -0.09 1.51 3.08 -1.17 -0.30 114.38 118.24 2x3y h ARG 136 Ca 0.24 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 2x3y h ARG 136 Cb -0.09 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2x3y h ARG 136 CO -0.05 -0.05 -0.07 1.49 -1.07 0.00 0.00 179.97 180.22 2x3y h GLU 137 N -0.08 -0.08 -0.19 0.04 4.57 -1.25 -1.99 114.58 115.61 2x3y h GLU 137 Ca 0.04 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2x3y h GLU 137 Cb 0.13 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 2x3y h GLU 137 CO -0.09 -0.05 -0.20 0.00 -1.18 0.00 0.00 179.01 177.49 2x3y h ALA 138 N 0.99 -0.09 -0.62 2.92 0.00 -0.80 -1.79 119.26 119.86 2x3y h ALA 138 Ca 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2x3y h ALA 138 Cb 0.16 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2x3y h ALA 138 CO -0.14 -0.63 0.26 -0.22 0.00 0.00 0.00 179.25 178.52 2x3y h LYS 139 N -0.22 0.90 0.00 0.00 3.64 -0.95 -1.22 116.57 118.72 2x3y h LYS 139 Ca 0.12 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2x3y h LYS 139 Cb 0.40 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2x3y h LYS 139 CO -0.32 0.73 -0.10 0.00 -2.27 0.00 0.00 179.45 177.49 2x3y h ALA 140 N 1.40 1.11 -0.03 5.00 0.00 -0.63 -1.85 119.26 124.25 2x3y h ALA 140 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2x3y h ALA 140 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x3y h ALA 140 CO -0.02 0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.98 2x3y n LYS 141 N -3.36 1.79 -1.39 0.00 5.02 -0.68 -4.93 118.16 114.62 2x3y n LYS 141 Ca -0.01 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 2x3y n LYS 141 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.21 0.42 3.91 0.72 0.00 -0.70 -3.49 105.19 107.25 2x3y n GLY 142 Ca 0.18 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.79 3.62 0.18 1.61 -1.94 -0.55 -2.06 119.30 117.38 2x3y s MET 143 Ca 0.00 -0.03 -0.30 0.00 -1.71 0.00 0.00 55.69 53.65 2x3y s MET 143 Cb 0.00 -2.68 -0.08 0.00 2.01 0.00 0.00 34.83 34.08 2x3y s MET 143 CO 0.00 0.26 0.94 0.99 -0.01 0.00 0.00 175.02 177.19 2x3y s THR 144 N -2.02 4.26 -0.24 2.05 2.01 -0.57 -4.19 115.64 116.94 2x3y s THR 144 Ca 0.43 2.05 -0.06 0.00 0.31 0.00 0.00 61.69 64.43 2x3y s THR 144 Cb -0.11 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 2x3y s THR 144 CO 0.29 0.43 0.01 0.00 -0.69 0.00 0.00 174.62 174.66 2x3y s VAL 146 N 1.55 2.18 0.08 0.00 1.01 0.12 -1.03 120.40 124.31 2x3y s VAL 146 Ca 0.06 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.17 2x3y s VAL 146 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2x3y s VAL 146 CO 0.00 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 174.72 2x3y s GLY 147 N 0.84 1.78 -0.18 4.51 0.00 -0.36 -0.70 107.32 113.22 2x3y s GLY 147 Ca -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.48 2x3y s GLY 147 CO -0.02 -1.14 -0.12 -1.36 0.00 0.00 0.00 173.10 170.46 2x3y s PHE 148 N -1.16 2.31 0.01 1.90 0.08 -0.59 -1.15 117.98 119.39 2x3y s PHE 148 Ca 0.20 -1.43 0.00 0.00 0.12 0.00 0.00 56.93 55.82 2x3y s PHE 148 Cb -0.11 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2x3y s PHE 148 CO 0.12 -0.71 0.01 -2.37 -0.10 0.00 0.00 175.22 172.17 2x3y n THR 149 N 4.72 0.00 -0.70 0.64 5.66 -0.03 -1.91 114.28 122.67 2x3y n THR 149 Ca -0.16 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2x3y n THR 149 Cb 0.48 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.02 1.53 0.93 1.09 0.00 -1.25 -1.51 105.19 105.96 2x3y n GLY 150 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 2.97 -0.16 1.61 0.23 0.05 -3.85 115.26 116.11 2x3y n ASN 151 Ca 0.00 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 2x3y n ASN 151 Cb 0.00 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 2x3y n ASN 151 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2x3y n ARG 152 N 1.28 1.01 0.00 -3.83 1.74 -1.26 -4.99 116.66 110.61 2x3y n ARG 152 Ca 0.14 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2x3y n ARG 152 Cb 0.56 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 2x3y n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x3y n GLY 153 N 0.35 0.65 0.00 -0.13 0.00 -1.26 -5.02 105.19 99.77 2x3y n GLY 153 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.43 0.19 -0.02 0.00 -1.26 -4.74 105.19 99.78 2x3y n GLY 154 Ca 0.00 -2.28 0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 3.97 0.00 0.00 1.61 5.08 -1.97 -3.32 114.58 119.96 2x3y h GLU 155 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 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 -0.21 0.52 -1.00 0.00 0.00 179.01 178.32 2x3y h MET 156 N 0.00 0.00 -0.59 2.33 2.86 -1.87 -2.63 114.93 115.03 2x3y h MET 156 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2x3y h MET 156 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2x3y h MET 156 CO 0.00 0.21 0.04 0.00 1.06 0.00 0.00 176.91 178.22 2x3y h ARG 157 N 0.00 1.01 0.02 1.72 3.08 -1.88 0.20 114.38 118.53 2x3y h ARG 157 Ca -0.00 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2x3y h ARG 157 Cb 0.43 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2x3y h ARG 157 CO 0.03 0.98 -0.01 0.93 -1.07 0.00 0.00 179.97 180.83 2x3y h GLU 158 N 0.91 -0.03 -0.40 0.04 5.08 -1.77 -3.35 114.58 115.06 2x3y h GLU 158 Ca 0.17 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2x3y h GLU 158 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2x3y h GLU 158 CO 0.02 0.41 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.19 2x3y h LEU 159 N -0.48 0.77 -9.78 1.33 3.38 -1.24 -3.44 115.31 105.85 2x3y h LEU 159 Ca -0.00 -0.26 -0.56 0.00 0.09 0.00 0.00 57.88 57.15 2x3y h LEU 159 Cb 0.46 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2x3y h LEU 159 CO 0.01 0.95 -0.02 0.00 0.09 0.00 0.00 178.44 179.46 2x3y h ASP 161 N 3.97 0.02 -3.56 0.00 3.32 -1.38 -3.45 116.42 115.35 2x3y h ASP 161 Ca -0.49 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.27 2x3y h ASP 161 Cb 1.20 -0.01 -0.32 0.00 0.22 0.00 0.00 39.33 40.42 2x3y h ASP 161 CO 0.65 0.81 -0.70 -0.76 -1.72 0.00 0.00 179.24 177.51 2x3y s LEU 162 N -7.23 1.21 -0.05 1.55 1.43 -0.99 -5.04 118.68 109.55 2x3y s LEU 162 Ca -0.01 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2x3y s LEU 162 Cb 0.11 0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.39 2x3y s LEU 162 CO 0.79 -0.11 -0.03 -0.22 0.23 0.00 0.00 176.35 177.01 2x3y s LEU 163 N 0.85 1.12 -0.24 1.79 2.96 -1.26 -1.22 118.68 122.68 2x3y s LEU 163 Ca -0.07 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2x3y s LEU 163 Cb -0.10 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 2x3y s LEU 163 CO -0.03 -0.10 0.04 -0.76 -1.32 0.00 0.00 176.35 174.18 2x3y s LEU 164 N 1.24 3.28 -0.34 -0.68 1.43 -0.30 -4.98 118.68 118.34 2x3y s LEU 164 Ca -0.06 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2x3y s LEU 164 Cb -0.14 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.28 2x3y s LEU 164 CO -0.02 -0.03 0.09 -1.61 0.23 0.00 0.00 176.35 175.01 2x3y s GLU 165 N 1.55 2.31 0.10 1.70 2.02 -1.26 -0.85 118.70 124.26 2x3y s GLU 165 Ca 0.06 -1.44 -0.31 0.00 0.02 0.00 0.00 54.97 53.30 2x3y s GLU 165 Cb -0.15 -3.37 -0.07 0.00 0.10 0.00 0.00 34.13 30.64 2x3y s GLU 165 CO 0.02 -0.78 1.35 0.08 0.02 0.00 0.00 175.26 175.95 2x3y s VAL 166 N 1.24 3.48 -0.92 2.63 1.01 -0.57 -4.86 120.40 122.41 2x3y s VAL 166 Ca 0.00 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 2x3y s VAL 166 Cb -0.21 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 2x3y s VAL 166 CO -0.01 0.08 2.09 -0.81 0.00 0.00 0.00 175.10 176.45 2x3y n PRO 167 N 4.05 2.02 -3.70 2.72 -0.04 -1.26 -2.62 135.00 136.17 2x3y n PRO 167 Ca 0.11 -1.62 -0.10 0.00 -0.04 0.00 0.00 63.50 61.85 2x3y n PRO 167 Cb 0.43 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.76 -0.28 0.00 3.54 0.15 -1.26 -4.88 113.70 114.74 2x3y s SER 168 Ca 0.45 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2x3y s SER 168 Cb 0.12 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2x3y s SER 168 CO 0.00 -1.01 0.17 0.00 1.20 0.00 0.00 173.24 173.60 2x3y n ALA 169 N -0.32 2.20 -2.56 5.45 0.00 -1.26 -0.77 120.51 123.25 2x3y n ALA 169 Ca -0.11 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2x3y n ALA 169 Cb 0.63 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.77 6.33 0.25 0.00 2.15 -1.26 -4.98 116.67 118.38 2x3y s ASP 170 Ca 0.00 -0.03 -0.04 0.00 0.43 0.00 0.00 52.55 52.92 2x3y s ASP 170 Cb 0.01 -2.27 0.49 0.00 -0.30 0.00 0.00 42.92 40.84 2x3y s ASP 170 CO 0.02 -0.50 1.69 0.71 -0.17 0.00 0.00 175.17 176.92 2x3y h THR 171 N 5.63 0.52 -0.60 1.71 1.35 -1.94 0.85 112.91 120.43 2x3y h THR 171 Ca -0.28 -0.10 0.09 0.00 -0.55 0.00 0.00 66.41 65.57 2x3y h THR 171 Cb 1.12 0.20 -0.07 0.00 -1.73 0.00 0.00 68.15 67.67 2x3y h THR 171 CO 0.78 0.05 0.22 -0.65 -0.25 0.00 0.00 175.52 175.68 2x3y h PRO 172 N 0.29 0.39 -0.33 4.72 0.11 -2.00 0.25 132.00 135.44 2x3y h PRO 172 Ca 0.43 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.38 2x3y h PRO 172 Cb 0.74 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2x3y h PRO 172 CO -0.51 0.26 -0.35 0.87 -0.21 0.00 0.00 178.00 178.06 2x3y h LYS 173 N 0.40 0.75 -0.81 1.05 1.79 -1.36 -1.37 116.57 117.02 2x3y h LYS 173 Ca 0.30 -0.36 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 2x3y h LYS 173 Cb 0.36 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 2x3y h LYS 173 CO -0.30 0.98 0.38 0.82 -1.08 0.00 0.00 179.45 180.25 2x3y h ILE 174 N 0.62 1.26 -0.40 1.86 2.04 -0.40 -2.07 117.51 120.41 2x3y h ILE 174 Ca 0.06 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2x3y h ILE 174 Cb 0.89 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2x3y h ILE 174 CO 0.08 0.31 0.02 1.56 0.00 0.00 0.00 178.15 180.12 2x3y h GLN 175 N 1.15 0.70 -0.89 2.37 4.20 -0.11 -1.52 115.11 121.00 2x3y h GLN 175 Ca 0.28 -0.21 0.10 0.00 0.06 0.00 0.00 58.65 58.87 2x3y h GLN 175 Cb 0.14 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 2x3y h GLN 175 CO -0.03 0.77 0.58 0.93 -0.67 0.00 0.00 178.83 180.41 2x3y h GLU 176 N 0.53 0.85 -0.54 1.46 5.08 -1.14 -0.98 114.58 119.84 2x3y h GLU 176 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2x3y h GLU 176 Cb 0.44 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2x3y h GLU 176 CO 0.02 0.56 0.17 0.78 -1.00 0.00 0.00 179.01 179.54 2x3y h GLY 177 N 0.88 0.91 0.99 -3.84 0.00 -0.87 -2.70 103.07 98.44 2x3y h GLY 177 Ca 0.42 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2x3y h GLY 177 CO -0.18 0.51 0.29 0.45 0.00 0.00 0.00 176.54 177.61 2x3y h HIS 178 N 0.75 0.88 -0.38 5.60 3.86 -0.20 -0.68 115.15 124.98 2x3y h HIS 178 Ca 0.17 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2x3y h HIS 178 Cb 0.29 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2x3y h HIS 178 CO 0.02 0.67 0.22 1.25 0.86 0.00 0.00 177.93 180.94 2x3y h LEU 179 N 0.84 0.35 -0.41 2.43 5.85 -1.28 0.17 115.31 123.26 2x3y h LEU 179 Ca 0.21 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2x3y h LEU 179 Cb 0.12 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2x3y h LEU 179 CO -0.03 0.25 0.24 0.58 -0.34 0.00 0.00 178.44 179.15 2x3y h VAL 180 N 0.44 1.14 -0.01 1.05 2.07 -1.09 -0.99 116.25 118.86 2x3y h VAL 180 Ca 0.15 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 2x3y h VAL 180 Cb 0.02 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2x3y h VAL 180 CO -0.08 0.14 -0.65 -0.07 0.02 0.00 0.00 177.57 176.93 2x3y h LEU 181 N 0.54 0.04 0.03 2.57 3.38 -0.99 -2.90 115.31 117.98 2x3y h LEU 181 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2x3y h LEU 181 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2x3y h LEU 181 CO -0.03 0.68 -0.02 1.23 0.09 0.00 0.00 178.44 180.40 2x3y h GLY 182 N 1.88 -0.05 -0.19 0.83 0.00 -0.26 -1.48 103.07 103.81 2x3y h GLY 182 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2x3y h GLY 182 CO 0.09 -0.02 -0.31 0.45 0.00 0.00 0.00 176.54 176.75 2x3y h HIS 183 N -0.27 -0.84 -0.64 5.60 3.86 -1.19 -0.96 115.15 120.71 2x3y h HIS 183 Ca -0.00 0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.36 2x3y h HIS 183 Cb 0.25 0.43 -0.07 0.00 1.06 0.00 0.00 27.41 29.09 2x3y h HIS 183 CO 0.00 -0.37 0.28 0.82 0.86 0.00 0.00 177.93 179.52 2x3y h ILE 184 N -0.22 0.80 -0.81 2.45 2.04 -1.36 -1.01 117.51 119.41 2x3y h ILE 184 Ca 0.19 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2x3y h ILE 184 Cb 0.53 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2x3y h ILE 184 CO -0.56 0.09 0.52 0.58 0.00 0.00 0.00 178.15 178.78 2x3y h VAL 185 N 0.48 1.14 0.50 1.67 2.07 -0.48 -2.17 116.25 119.47 2x3y h VAL 185 Ca 0.32 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2x3y h VAL 185 Cb 0.37 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2x3y h VAL 185 CO -0.29 0.19 -0.24 0.00 0.02 0.00 0.00 177.57 177.25 2x3y h GLY 187 N -0.79 0.11 0.86 0.00 0.00 -1.17 0.16 103.07 102.24 2x3y h GLY 187 Ca -0.07 0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.70 2x3y h GLY 187 CO 0.11 -0.23 0.37 1.41 0.00 0.00 0.00 176.54 178.20 2x3y h LEU 188 N -0.09 0.59 -0.09 3.11 3.38 -1.26 0.13 115.31 121.08 2x3y h LEU 188 Ca 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2x3y h LEU 188 Cb 0.57 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2x3y h LEU 188 CO -0.78 0.41 -0.07 0.58 0.09 0.00 0.00 178.44 178.67 2x3y h VAL 189 N 0.72 1.35 -0.55 1.22 2.07 -0.56 -0.75 116.25 119.75 2x3y h VAL 189 Ca 0.24 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.68 2x3y h VAL 189 Cb 0.03 1.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.65 2x3y h VAL 189 CO -0.10 0.33 0.04 -0.08 0.02 0.00 0.00 177.57 177.78 2x3y h GLU 190 N -0.19 0.16 -0.23 1.57 4.81 -0.51 -2.22 114.58 117.97 2x3y h GLU 190 Ca 0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2x3y h GLU 190 Cb 0.57 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2x3y h GLU 190 CO 0.02 0.10 -0.18 1.25 -0.73 0.00 0.00 179.01 179.48 2x3y h HIS 191 N 0.16 0.61 -0.89 0.92 2.76 -0.66 -1.70 115.15 116.35 2x3y h HIS 191 Ca 0.29 -0.17 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2x3y h HIS 191 Cb 0.44 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 2x3y h HIS 191 CO -0.30 0.83 0.59 1.03 -1.30 0.00 0.00 177.93 178.78 2x3y h SER 192 N 0.22 1.00 0.26 3.26 0.87 -0.94 0.24 113.55 118.46 2x3y h SER 192 Ca 0.04 -0.02 -0.34 0.00 -1.23 0.00 0.00 61.79 60.24 2x3y h SER 192 Cb 0.71 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2x3y h SER 192 CO 0.05 0.71 -1.78 0.40 -0.53 0.00 0.00 176.83 175.68 2x3y h ILE 193 N 1.17 0.87 0.00 2.23 2.04 -1.42 -3.40 117.51 119.01 2x3y h ILE 193 Ca 0.34 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2x3y h ILE 193 Cb -0.08 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2x3y h ILE 193 CO -0.08 0.82 0.00 0.49 0.00 0.00 0.00 178.15 179.38 2x3y n PHE 194 N -3.46 0.00 0.83 1.37 0.99 -0.64 -5.11 117.46 111.44 2x3y n PHE 194 Ca -0.24 -0.29 0.07 0.00 -0.00 0.00 0.00 57.45 56.98 2x3y n PHE 194 Cb 1.06 -0.03 0.39 0.00 -1.00 0.00 0.00 39.48 39.90 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17