#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w49 n GLU 4 N 0.00 -0.89 -0.17 3.49 -0.00 -1.26 -4.79 120.64 117.02 2w49 n GLU 4 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 57.16 57.28 2w49 n GLU 4 Cb 0.00 -2.18 0.35 0.00 -0.00 0.00 0.00 31.44 29.61 2w49 n GLU 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2w49 h LYS 5 N -0.42 0.74 0.00 3.44 -0.00 -2.10 -2.44 116.57 115.78 2w49 h LYS 5 Ca -0.31 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.65 60.19 2w49 h LYS 5 Cb 0.70 -0.17 -0.01 0.00 -0.00 0.00 0.00 32.23 32.75 2w49 h LYS 5 CO 0.42 0.49 -0.49 1.57 -0.00 0.00 0.00 179.45 181.44 2w49 h LYS 6 N 0.76 0.00 -1.53 0.07 -0.00 -2.06 -3.36 116.57 110.45 2w49 h LYS 6 Ca 0.29 0.00 0.45 0.00 -0.00 0.00 0.00 60.65 61.40 2w49 h LYS 6 Cb 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 32.35 2w49 h LYS 6 CO -0.09 0.49 1.09 -2.13 -0.00 0.00 0.00 179.45 178.81 2w49 n ARG 7 N -3.31 -0.00 -0.30 0.07 0.63 -0.92 -0.80 116.66 112.03 2w49 n ARG 7 Ca 0.01 0.89 0.09 0.00 -0.92 0.00 0.00 57.85 57.92 2w49 n ARG 7 Cb 0.68 -2.01 0.31 0.00 0.45 0.00 0.00 32.46 31.89 2w49 n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2w49 h ARG 8 N 0.00 0.83 0.00 -0.14 -0.00 -1.79 -1.92 114.38 111.36 2w49 h ARG 8 Ca 0.75 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.98 60.11 2w49 h ARG 8 Cb 2.95 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 32.73 2w49 h ARG 8 CO -0.06 0.55 -0.33 0.00 0.00 0.00 0.00 179.97 180.13 2w49 h ALA 9 N 1.57 1.34 0.34 0.04 0.00 -1.30 -3.01 119.26 118.23 2w49 h ALA 9 Ca 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2w49 h ALA 9 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2w49 h ALA 9 CO -0.21 0.42 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 2w49 h ALA 10 N 1.67 -0.45 0.01 0.00 0.00 -1.51 -2.43 119.26 116.56 2w49 h ALA 10 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2w49 h ALA 10 Cb 0.63 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2w49 h ALA 10 CO 0.04 -0.74 -0.15 1.79 0.00 0.00 0.00 179.25 180.19 2w49 h THR 11 N -0.48 0.63 -1.03 0.00 1.35 -1.56 -1.04 112.91 110.78 2w49 h THR 11 Ca -0.05 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.08 2w49 h THR 11 Cb 0.36 0.63 -0.08 0.00 -1.73 0.00 0.00 68.15 67.33 2w49 h THR 11 CO 0.08 0.00 0.68 0.00 -0.25 0.00 0.00 175.52 176.03 2w49 h ALA 12 N 0.67 2.40 0.65 6.62 0.00 -1.46 -0.17 119.26 127.97 2w49 h ALA 12 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2w49 h ALA 12 Cb 0.32 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2w49 h ALA 12 CO -0.14 -0.76 -0.31 0.00 0.00 0.00 0.00 179.25 178.04 2w49 h ARG 13 N 0.31 -0.84 -0.87 0.00 2.47 -0.68 0.43 114.38 115.21 2w49 h ARG 13 Ca 0.56 0.06 0.22 0.00 -1.26 0.00 0.00 59.98 59.55 2w49 h ARG 13 Cb 1.57 0.19 -0.13 0.00 -1.65 0.00 0.00 29.97 29.95 2w49 h ARG 13 CO -0.21 -0.54 0.29 0.00 0.56 0.00 0.00 179.97 180.07 2w49 h ARG 14 N -0.96 0.28 0.37 0.04 3.08 -0.79 0.58 114.38 116.99 2w49 h ARG 14 Ca -0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2w49 h ARG 14 Cb 0.70 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2w49 h ARG 14 CO 0.15 0.19 -0.18 1.96 -1.07 0.00 0.00 179.97 181.02 2w49 h GLN 15 N 0.29 -0.48 -1.01 0.04 1.08 -0.80 1.16 115.11 115.39 2w49 h GLN 15 Ca 0.54 0.03 0.25 0.00 -1.45 0.00 0.00 58.65 58.02 2w49 h GLN 15 Cb 1.04 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 28.46 2w49 h GLN 15 CO -0.58 -0.24 0.60 1.25 -0.95 0.00 0.00 178.83 178.91 2w49 h HIS 16 N -0.65 0.99 -0.04 2.96 2.76 0.33 0.18 115.15 121.68 2w49 h HIS 16 Ca -0.05 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 2w49 h HIS 16 Cb 0.47 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2w49 h HIS 16 CO -0.02 0.06 -0.25 -0.07 -1.30 0.00 0.00 177.93 176.35 2w49 h LEU 17 N 0.56 0.28 -0.59 0.26 3.38 0.53 -1.88 115.31 117.85 2w49 h LEU 17 Ca 0.65 -0.69 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2w49 h LEU 17 Cb 1.26 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2w49 h LEU 17 CO -0.47 0.92 0.10 0.11 0.09 0.00 0.00 178.44 179.20 2w49 h LYS 18 N -0.34 0.22 0.00 1.13 1.57 0.37 0.51 116.57 120.04 2w49 h LYS 18 Ca -0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2w49 h LYS 18 Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2w49 h LYS 18 CO 0.05 0.15 -0.20 1.03 -0.57 0.00 0.00 179.45 179.91 2w49 h SER 19 N 0.23 0.00 0.91 0.86 0.87 -0.79 0.13 113.55 115.76 2w49 h SER 19 Ca 0.31 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 2w49 h SER 19 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2w49 h SER 19 CO -0.42 0.20 -0.54 0.00 -0.53 0.00 0.00 176.83 175.54 2w49 h ALA 20 N 1.80 0.85 0.25 6.23 0.00 0.61 -0.75 119.26 128.25 2w49 h ALA 20 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2w49 h ALA 20 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2w49 h ALA 20 CO 0.03 0.68 -0.12 0.52 0.00 0.00 0.00 179.25 180.35 2w49 h MET 21 N 0.00 -0.33 -0.36 0.00 2.07 0.22 -2.36 114.93 114.17 2w49 h MET 21 Ca -0.01 0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.73 2w49 h MET 21 Cb 1.14 0.07 -0.08 0.00 -1.87 0.00 0.00 31.60 30.87 2w49 h MET 21 CO 0.07 -0.22 -0.22 -0.07 1.07 0.00 0.00 176.91 177.54 2w49 h LEU 22 N -0.98 -0.75 -1.04 1.22 3.38 -1.01 0.75 115.31 116.88 2w49 h LEU 22 Ca -0.03 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.32 2w49 h LEU 22 Cb 0.26 0.38 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 2w49 h LEU 22 CO 0.06 -0.25 0.61 -0.61 0.09 0.00 0.00 178.44 178.33 2w49 h GLN 23 N -0.17 0.61 -0.18 1.13 4.15 -1.24 0.22 115.11 119.63 2w49 h GLN 23 Ca 0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 2w49 h GLN 23 Cb 0.45 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2w49 h GLN 23 CO -0.46 0.41 0.01 1.25 -1.93 0.00 0.00 178.83 178.10 2w49 h LEU 24 N 0.63 0.31 -0.10 -2.39 6.46 0.88 -3.21 115.31 117.89 2w49 h LEU 24 Ca 0.62 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 2w49 h LEU 24 Cb 1.13 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 2w49 h LEU 24 CO -0.42 0.53 -0.15 0.00 -0.62 0.00 0.00 178.44 177.78 2w49 h ALA 25 N 0.79 -0.45 -0.89 1.25 0.00 0.28 -2.17 119.26 118.07 2w49 h ALA 25 Ca 0.05 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.15 2w49 h ALA 25 Cb 0.37 0.80 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 2w49 h ALA 25 CO 0.01 -0.51 -0.17 -0.24 0.00 0.00 0.00 179.25 178.33 2w49 h VAL 26 N -0.12 0.12 0.00 0.00 3.04 -1.38 0.74 116.25 118.66 2w49 h VAL 26 Ca 0.02 -0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 2w49 h VAL 26 Cb 0.16 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.55 2w49 h VAL 26 CO -0.15 0.00 -0.11 0.00 -1.01 0.00 0.00 177.57 176.30 2w49 h THR 27 N 0.01 0.31 0.04 3.17 1.03 -1.50 -2.35 112.91 113.61 2w49 h THR 27 Ca 0.45 -0.71 -0.29 0.00 -0.01 0.00 0.00 66.41 65.85 2w49 h THR 27 Cb 0.72 1.54 -0.03 0.00 -1.07 0.00 0.00 68.15 69.31 2w49 h THR 27 CO -0.89 0.10 -1.56 -0.08 -0.01 0.00 0.00 175.52 173.08 2w49 h GLU 28 N 0.00 0.08 -0.43 0.00 4.57 0.84 -3.28 114.58 116.37 2w49 h GLU 28 Ca -0.00 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.10 2w49 h GLU 28 Cb 0.53 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 2w49 h GLU 28 CO 0.01 0.79 0.15 0.97 -1.18 0.00 0.00 179.01 179.76 2w49 h ILE 29 N 0.02 0.87 0.00 2.32 2.10 0.57 -1.32 117.51 122.07 2w49 h ILE 29 Ca -0.23 -0.11 -0.06 0.00 1.08 0.00 0.00 64.86 65.53 2w49 h ILE 29 Cb 1.97 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 2w49 h ILE 29 CO 0.11 0.06 -0.29 1.05 -1.08 0.00 0.00 178.15 178.00 2w49 h GLU 30 N 0.32 0.00 0.44 2.19 4.11 -1.65 -2.29 114.58 117.69 2w49 h GLU 30 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 2w49 h GLU 30 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2w49 h GLU 30 CO -0.20 0.29 -0.21 0.87 0.07 0.00 0.00 179.01 179.83 2w49 h LYS 31 N 0.00 -0.57 -0.98 1.06 1.57 -1.32 -1.38 116.57 114.95 2w49 h LYS 31 Ca -0.00 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2w49 h LYS 31 Cb 0.97 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 2w49 h LYS 31 CO 0.04 -0.28 0.61 1.49 -0.57 0.00 0.00 179.45 180.74 2w49 h GLU 32 N -0.81 0.98 0.69 3.15 4.81 -1.36 0.13 114.58 122.16 2w49 h GLU 32 Ca -0.06 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2w49 h GLU 32 Cb 0.55 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2w49 h GLU 32 CO 0.10 0.65 -0.50 0.00 -0.73 0.00 0.00 179.01 178.52 2w49 h ALA 33 N 1.51 -1.23 -0.11 2.92 0.00 -1.19 0.51 119.26 121.66 2w49 h ALA 33 Ca 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2w49 h ALA 33 Cb 0.41 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2w49 h ALA 33 CO -0.25 -1.22 0.05 0.00 0.00 0.00 0.00 179.25 177.84 2w49 h ALA 34 N -1.07 0.15 -0.67 0.00 0.00 -0.92 -1.95 119.26 114.80 2w49 h ALA 34 Ca -0.09 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2w49 h ALA 34 Cb 0.94 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2w49 h ALA 34 CO 0.04 -0.28 0.15 0.00 0.00 0.00 0.00 179.25 179.15 2w49 h ALA 35 N 0.91 0.83 -0.24 0.00 0.00 -0.88 0.32 119.26 120.20 2w49 h ALA 35 Ca 0.04 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2w49 h ALA 35 Cb 0.14 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2w49 h ALA 35 CO -0.00 -0.32 -0.54 -0.22 0.00 0.00 0.00 179.25 178.16 2w49 h LYS 36 N 0.26 -0.49 -0.79 0.00 1.63 0.67 -0.05 116.57 117.80 2w49 h LYS 36 Ca 0.37 0.03 0.19 0.00 -0.85 0.00 0.00 60.65 60.39 2w49 h LYS 36 Cb 0.59 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 32.20 2w49 h LYS 36 CO -0.46 -0.32 0.17 1.49 -3.45 0.00 0.00 179.45 176.87 2w49 h GLU 37 N -0.51 0.22 -0.60 1.90 4.57 -0.28 0.44 114.58 120.32 2w49 h GLU 37 Ca 0.05 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 2w49 h GLU 37 Cb 0.65 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 2w49 h GLU 37 CO -0.50 0.14 0.14 0.28 -1.18 0.00 0.00 179.01 177.89 2w49 h VAL 38 N 0.22 0.65 -0.96 0.32 2.07 0.48 0.42 116.25 119.46 2w49 h VAL 38 Ca 0.47 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.95 2w49 h VAL 38 Cb 0.86 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2w49 h VAL 38 CO -0.59 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 177.34 2w49 h GLU 39 N 0.27 1.09 -0.66 1.57 5.08 0.73 -2.20 114.58 120.46 2w49 h GLU 39 Ca 0.32 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2w49 h GLU 39 Cb 0.46 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2w49 h GLU 39 CO -0.39 0.72 0.33 -0.22 -1.00 0.00 0.00 179.01 178.45 2w49 h LYS 40 N 1.13 0.93 0.00 2.33 3.64 0.42 -0.15 116.57 124.86 2w49 h LYS 40 Ca 0.41 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2w49 h LYS 40 Cb 0.15 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2w49 h LYS 40 CO -0.15 0.70 -0.06 1.96 -2.27 0.00 0.00 179.45 179.64 2w49 h GLN 41 N 0.93 0.00 0.09 1.90 1.08 -0.65 -2.40 115.11 116.06 2w49 h GLN 41 Ca 0.23 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.30 2w49 h GLN 41 Cb 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2w49 h GLN 41 CO -0.03 0.03 -0.57 -0.91 -0.95 0.00 0.00 178.83 176.39 2w49 h ASN 42 N 0.00 0.31 -0.02 1.46 -0.26 -0.97 0.23 115.58 116.33 2w49 h ASN 42 Ca -0.00 -0.96 0.03 0.00 -0.56 0.00 0.00 56.30 54.81 2w49 h ASN 42 Cb 1.02 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 38.13 2w49 h ASN 42 CO 0.00 1.27 -0.32 0.22 -1.06 0.00 0.00 177.43 177.55 2w49 h TYR 43 N -0.58 -0.87 0.00 1.19 3.20 -1.06 0.35 116.97 119.20 2w49 h TYR 43 Ca -0.10 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 2w49 h TYR 43 Cb 1.44 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 2w49 h TYR 43 CO 0.22 -0.41 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.16 2w49 h LEU 44 N -0.46 0.00 -0.89 2.82 3.38 -1.49 -2.12 115.31 116.55 2w49 h LEU 44 Ca 0.07 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2w49 h LEU 44 Cb 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 2w49 h LEU 44 CO -0.28 0.11 0.52 0.00 0.09 0.00 0.00 178.44 178.88 2w49 h ALA 45 N 1.89 1.32 0.00 1.53 0.00 0.31 -2.36 119.26 121.96 2w49 h ALA 45 Ca -0.00 0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.58 2w49 h ALA 45 Cb 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2w49 h ALA 45 CO 0.01 0.10 -2.38 -0.85 0.00 0.00 0.00 179.25 176.13 2w49 n GLU 46 N -4.73 0.68 0.00 0.00 0.28 -0.88 -3.30 120.64 112.70 2w49 n GLU 46 Ca 0.16 0.02 0.10 0.00 -0.16 0.00 0.00 57.16 57.27 2w49 n GLU 46 Cb 0.34 -1.53 0.45 0.00 1.43 0.00 0.00 31.44 32.13 2w49 n GLU 46 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2w49 n HIS 47 N -2.82 0.00 -2.70 -1.84 8.25 -0.84 -4.15 115.22 111.13 2w49 n HIS 47 Ca -0.34 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.06 2w49 n HIS 47 Cb 1.14 -0.42 0.06 0.00 1.12 0.00 0.00 29.99 31.89 2w49 n HIS 47 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2w49 n SER 48 N -1.42 -1.93 -4.77 0.41 2.88 -0.89 -5.06 113.62 102.84 2w49 n SER 48 Ca 0.07 -2.29 -0.34 0.00 -1.33 0.00 0.00 58.87 54.97 2w49 n SER 48 Cb 0.20 1.13 0.03 0.00 -0.75 0.00 0.00 64.21 64.83 2w49 n SER 48 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2w49 s PRO 49 N 0.39 2.98 -0.83 -1.46 0.02 -1.21 -4.73 135.00 130.16 2w49 s PRO 49 Ca 0.28 1.47 -0.25 0.00 0.02 0.00 0.00 61.00 62.52 2w49 s PRO 49 Cb 0.20 -1.97 -0.18 0.00 0.02 0.00 0.00 34.50 32.57 2w49 s PRO 49 CO -0.14 -1.12 2.23 -2.30 -0.33 0.00 0.00 177.00 175.34 2w49 n PRO 50 N -2.03 0.00 -1.54 5.54 -0.02 -1.26 -4.77 135.00 130.91 2w49 n PRO 50 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 2w49 n PRO 50 Cb 0.52 -1.24 0.02 0.00 -0.02 0.00 0.00 33.50 32.78 2w49 n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2w49 n LEU 51 N 8.62 1.54 -3.61 2.45 0.00 -1.26 -5.00 117.00 119.75 2w49 n LEU 51 Ca 0.55 0.93 -0.29 0.00 0.00 0.00 0.00 56.01 57.19 2w49 n LEU 51 Cb 0.03 -1.25 -0.14 0.00 0.00 0.00 0.00 43.42 42.06 2w49 n LEU 51 CO 0.78 -2.23 -0.31 -0.55 0.00 0.00 0.00 177.39 175.08 2w49 s SER 52 N -0.93 3.54 -0.17 1.96 0.15 -1.26 -5.12 113.70 111.87 2w49 s SER 52 Ca 0.65 -1.94 -0.38 0.00 0.70 0.00 0.00 55.95 54.99 2w49 s SER 52 Cb -0.54 -0.66 -0.14 0.00 -1.71 0.00 0.00 66.02 62.96 2w49 s SER 52 CO 0.56 -0.36 1.75 0.00 1.20 0.00 0.00 173.24 176.39 2w49 n LEU 53 N 4.41 2.70 0.00 3.45 -0.00 -1.26 -4.97 117.00 121.33 2w49 n LEU 53 Ca 0.04 1.05 0.00 0.00 -0.00 0.00 0.00 56.01 57.09 2w49 n LEU 53 Cb 0.39 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 2w49 n LEU 53 CO 0.13 -0.35 0.00 -2.65 -0.00 0.00 0.00 177.39 174.52 2w49 n PRO 54 N 5.46 0.81 0.00 1.47 -0.02 -1.26 -5.03 135.00 136.43 2w49 n PRO 54 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2w49 n PRO 54 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 2w49 n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w49 n GLY 55 N 0.00 -2.43 2.02 -1.23 0.00 -1.26 -4.90 105.19 97.39 2w49 n GLY 55 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2w49 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2w49 n SER 56 N 0.00 -0.41 0.00 1.61 3.41 -1.26 -4.83 113.62 112.13 2w49 n SER 56 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2w49 n SER 56 Cb 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2w49 n SER 56 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2w49 n MET 57 N -3.05 0.00 -0.19 4.33 -0.00 -1.26 -4.08 117.12 112.86 2w49 n MET 57 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.74 2w49 n MET 57 Cb 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 33.22 33.53 2w49 n MET 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2w49 h GLN 58 N 0.00 0.83 0.34 3.17 4.15 -2.00 -3.22 115.11 118.39 2w49 h GLN 58 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2w49 h GLN 58 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2w49 h GLN 58 CO 0.00 0.55 -0.35 1.05 -1.93 0.00 0.00 178.83 178.15 2w49 h GLU 59 N 0.86 -0.67 -0.77 1.69 9.09 -1.96 0.60 114.58 123.42 2w49 h GLU 59 Ca 0.29 0.05 0.16 0.00 0.05 0.00 0.00 59.36 59.91 2w49 h GLU 59 Cb 0.10 0.15 -0.11 0.00 -1.65 0.00 0.00 28.75 27.24 2w49 h GLU 59 CO -0.09 -0.44 0.26 -0.07 0.05 0.00 0.00 179.01 178.72 2w49 h LEU 60 N -0.69 0.17 0.34 3.06 3.38 -1.70 0.60 115.31 120.46 2w49 h LEU 60 Ca -0.04 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2w49 h LEU 60 Cb 0.60 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2w49 h LEU 60 CO -0.05 0.03 -0.16 1.56 0.09 0.00 0.00 178.44 179.90 2w49 h GLN 61 N 0.36 -0.44 0.11 1.13 4.20 -1.53 -1.52 115.11 117.42 2w49 h GLN 61 Ca 0.44 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.19 2w49 h GLN 61 Cb 0.73 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 2w49 h GLN 61 CO -0.47 -0.17 -0.45 1.49 -0.67 0.00 0.00 178.83 178.57 2w49 h GLU 62 N -0.68 -0.62 -0.71 1.46 4.57 0.17 0.20 114.58 118.97 2w49 h GLU 62 Ca -0.05 0.04 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 2w49 h GLU 62 Cb 0.48 0.14 -0.13 0.00 -0.16 0.00 0.00 28.75 29.08 2w49 h GLU 62 CO 0.08 -0.41 -0.07 1.25 -1.18 0.00 0.00 179.01 178.67 2w49 h LEU 63 N -0.64 -0.47 -0.67 1.64 5.85 0.07 0.43 115.31 121.52 2w49 h LEU 63 Ca -0.01 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2w49 h LEU 63 Cb 0.64 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 2w49 h LEU 63 CO -0.24 -0.19 0.33 0.28 -0.34 0.00 0.00 178.44 178.28 2w49 h SER 64 N 0.06 0.44 -0.51 1.25 0.02 -0.33 0.22 113.55 114.70 2w49 h SER 64 Ca 0.37 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.31 2w49 h SER 64 Cb 0.61 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2w49 h SER 64 CO -0.67 0.27 0.08 0.50 -1.14 0.00 0.00 176.83 175.87 2w49 h LYS 65 N 0.59 0.85 0.08 3.45 3.64 0.16 -1.52 116.57 123.82 2w49 h LYS 65 Ca 0.32 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2w49 h LYS 65 Cb 0.30 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2w49 h LYS 65 CO -0.24 0.85 -0.40 -0.22 -2.27 0.00 0.00 179.45 177.16 2w49 h LYS 66 N 0.73 -0.58 0.30 1.90 1.63 0.18 -2.12 116.57 118.61 2w49 h LYS 66 Ca 0.16 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2w49 h LYS 66 Cb 0.41 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2w49 h LYS 66 CO 0.01 -0.39 -0.30 -0.07 -3.45 0.00 0.00 179.45 175.25 2w49 h LEU 67 N -0.60 -0.82 -1.35 5.20 3.38 -0.57 -2.28 115.31 118.27 2w49 h LEU 67 Ca 0.03 0.07 0.44 0.00 0.09 0.00 0.00 57.88 58.51 2w49 h LEU 67 Cb 0.65 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 2w49 h LEU 67 CO -0.26 -0.39 0.82 -0.74 0.09 0.00 0.00 178.44 177.96 2w49 h HIS 68 N -0.60 0.56 -0.03 1.13 2.76 -1.17 0.78 115.15 118.58 2w49 h HIS 68 Ca -0.04 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.00 2w49 h HIS 68 Cb 0.52 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 29.35 2w49 h HIS 68 CO -0.18 -0.26 -0.60 0.00 -1.30 0.00 0.00 177.93 175.59 2w49 h ALA 69 N 1.65 0.12 -0.80 5.26 0.00 -1.14 -3.17 119.26 121.17 2w49 h ALA 69 Ca 0.84 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2w49 h ALA 69 Cb 2.60 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.37 2w49 h ALA 69 CO -0.48 0.39 0.53 -0.22 0.00 0.00 0.00 179.25 179.47 2w49 h LYS 70 N 0.00 0.95 -0.30 0.00 3.64 0.10 -1.97 116.57 119.00 2w49 h LYS 70 Ca -0.07 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2w49 h LYS 70 Cb 1.29 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 2w49 h LYS 70 CO 0.12 0.63 -0.08 0.82 -2.27 0.00 0.00 179.45 178.67 2w49 h ILE 71 N 0.98 0.68 -0.24 2.00 2.04 -0.77 0.74 117.51 122.93 2w49 h ILE 71 Ca 0.32 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 2w49 h ILE 71 Cb 0.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2w49 h ILE 71 CO -0.10 0.00 0.04 0.44 0.00 0.00 0.00 178.15 178.53 2w49 h ASP 72 N -0.01 0.32 0.23 1.72 3.45 -1.37 0.31 116.42 121.07 2w49 h ASP 72 Ca 0.15 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 2w49 h ASP 72 Cb 0.23 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2w49 h ASP 72 CO -0.32 0.34 -0.11 -1.28 -1.57 0.00 0.00 179.24 176.31 2w49 h SER 73 N 0.35 -0.26 -0.89 6.45 0.87 -0.38 -1.56 113.55 118.14 2w49 h SER 73 Ca 0.08 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.75 2w49 h SER 73 Cb 0.17 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 2w49 h SER 73 CO -0.00 -0.14 0.57 0.58 -0.53 0.00 0.00 176.83 177.31 2w49 h VAL 74 N -0.38 0.96 0.03 2.23 2.07 0.49 -0.54 116.25 121.10 2w49 h VAL 74 Ca -0.03 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2w49 h VAL 74 Cb 0.23 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2w49 h VAL 74 CO 0.05 0.16 -0.02 -0.78 0.02 0.00 0.00 177.57 177.00 2w49 h ASP 75 N 0.86 -0.05 -0.51 0.57 -0.00 -0.41 0.62 116.42 117.50 2w49 h ASP 75 Ca 0.41 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 57.54 2w49 h ASP 75 Cb 0.43 0.02 -0.08 0.00 -0.00 0.00 0.00 39.33 39.70 2w49 h ASP 75 CO -0.18 -0.03 0.07 -0.08 -0.00 0.00 0.00 179.24 179.02 2w49 h GLU 76 N -0.05 0.19 -0.44 0.28 4.81 -0.06 0.26 114.58 119.57 2w49 h GLU 76 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2w49 h GLU 76 Cb 0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2w49 h GLU 76 CO 0.00 0.13 0.28 0.93 -0.73 0.00 0.00 179.01 179.62 2w49 h GLU 77 N 0.20 0.58 -0.71 1.92 5.08 -0.91 0.22 114.58 120.97 2w49 h GLU 77 Ca 0.26 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 2w49 h GLU 77 Cb 0.37 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2w49 h GLU 77 CO -0.37 0.40 0.37 -0.09 -1.00 0.00 0.00 179.01 178.32 2w49 h ARG 78 N 0.59 0.64 0.31 2.33 2.43 0.23 -0.53 114.38 120.38 2w49 h ARG 78 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2w49 h ARG 78 Cb -0.05 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2w49 h ARG 78 CO -0.03 0.42 -0.15 -0.92 -1.51 0.00 0.00 179.97 177.78 2w49 h TYR 79 N 0.66 -0.39 -0.63 2.20 3.20 0.79 -0.54 116.97 122.25 2w49 h TYR 79 Ca 0.33 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.31 2w49 h TYR 79 Cb 0.29 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.60 2w49 h TYR 79 CO -0.09 -0.17 0.16 -0.44 -1.64 0.00 0.00 178.16 175.98 2w49 h ASP 80 N -0.53 0.05 0.05 -2.11 3.32 -0.26 -0.29 116.42 116.66 2w49 h ASP 80 Ca -0.04 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2w49 h ASP 80 Cb 0.39 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2w49 h ASP 80 CO 0.07 0.03 -0.11 0.74 -1.72 0.00 0.00 179.24 178.25 2w49 h THR 81 N 0.29 0.73 -0.96 0.35 2.02 -0.83 -0.70 112.91 113.81 2w49 h THR 81 Ca 0.34 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.67 2w49 h THR 81 Cb 0.50 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 2w49 h THR 81 CO -0.41 0.00 0.61 -0.08 0.37 0.00 0.00 175.52 176.01 2w49 h GLU 82 N -0.22 0.74 -0.17 6.66 4.81 0.09 0.35 114.58 126.84 2w49 h GLU 82 Ca 0.02 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 2w49 h GLU 82 Cb 0.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2w49 h GLU 82 CO -0.08 0.49 -0.48 0.28 -0.73 0.00 0.00 179.01 178.50 2w49 h VAL 83 N 0.77 1.32 0.00 0.32 2.07 -0.13 -0.22 116.25 120.37 2w49 h VAL 83 Ca 0.50 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2w49 h VAL 83 Cb 0.76 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2w49 h VAL 83 CO -0.27 0.52 -0.14 0.11 0.02 0.00 0.00 177.57 177.81 2w49 h LYS 84 N 0.36 0.00 0.10 1.57 1.57 0.44 0.71 116.57 121.32 2w49 h LYS 84 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2w49 h LYS 84 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2w49 h LYS 84 CO 0.09 0.14 -0.05 1.25 -0.57 0.00 0.00 179.45 180.31 2w49 h LEU 85 N 0.00 -0.11 -0.57 2.94 6.46 -0.49 -1.79 115.31 121.75 2w49 h LEU 85 Ca -0.00 -0.47 0.11 0.00 -0.12 0.00 0.00 57.88 57.40 2w49 h LEU 85 Cb 0.61 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.45 2w49 h LEU 85 CO 0.02 0.52 -0.20 1.56 -0.62 0.00 0.00 178.44 179.71 2w49 h GLN 86 N -0.86 -0.06 -0.41 1.25 4.20 -0.65 0.39 115.11 118.97 2w49 h GLN 86 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2w49 h GLN 86 Cb 0.57 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2w49 h GLN 86 CO 0.02 -0.04 -0.07 -0.22 -0.67 0.00 0.00 178.83 177.85 2w49 h LYS 87 N -0.06 0.03 0.58 1.46 3.64 -0.87 -0.85 116.57 120.49 2w49 h LYS 87 Ca 0.27 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2w49 h LYS 87 Cb 0.48 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2w49 h LYS 87 CO -0.62 0.02 -0.28 1.15 -2.27 0.00 0.00 179.45 177.45 2w49 h THR 88 N 0.03 0.41 -1.02 1.00 2.02 0.48 0.18 112.91 116.01 2w49 h THR 88 Ca 0.20 -0.13 0.24 0.00 0.77 0.00 0.00 66.41 67.50 2w49 h THR 88 Cb 0.30 0.46 -0.10 0.00 -1.74 0.00 0.00 68.15 67.06 2w49 h THR 88 CO -0.39 0.02 0.64 0.40 0.37 0.00 0.00 175.52 176.55 2w49 h ILE 89 N -0.86 0.57 0.50 3.11 2.04 -0.26 0.87 117.51 123.48 2w49 h ILE 89 Ca -0.08 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2w49 h ILE 89 Cb 0.63 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2w49 h ILE 89 CO 0.13 0.09 -0.24 0.50 0.00 0.00 0.00 178.15 178.63 2w49 h LYS 90 N 0.50 -0.65 -0.97 2.37 1.63 -0.40 -1.13 116.57 117.93 2w49 h LYS 90 Ca 0.60 0.04 0.21 0.00 -0.85 0.00 0.00 60.65 60.65 2w49 h LYS 90 Cb 1.31 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 33.00 2w49 h LYS 90 CO -0.35 -0.38 0.62 1.49 -3.45 0.00 0.00 179.45 177.38 2w49 h GLU 91 N -0.78 0.52 0.00 1.90 4.81 0.12 -0.16 114.58 120.99 2w49 h GLU 91 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2w49 h GLU 91 Cb 0.56 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2w49 h GLU 91 CO 0.11 0.35 -0.40 1.37 -0.73 0.00 0.00 179.01 179.71 2w49 h LEU 92 N 0.54 0.00 -0.31 1.64 8.10 -0.88 -2.72 115.31 121.68 2w49 h LEU 92 Ca 0.53 -0.02 -0.07 0.00 0.11 0.00 0.00 57.88 58.43 2w49 h LEU 92 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.35 2w49 h LEU 92 CO -0.27 0.01 -0.08 -0.33 -4.11 0.00 0.00 178.44 173.66 2w49 h GLU 93 N 0.00 0.60 -0.70 0.17 5.08 0.25 0.60 114.58 120.57 2w49 h GLU 93 Ca 0.00 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2w49 h GLU 93 Cb 0.95 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2w49 h GLU 93 CO 0.00 0.79 0.42 -0.44 -1.00 0.00 0.00 179.01 178.79 2w49 h ASP 94 N 0.36 0.85 0.48 1.42 3.45 -1.44 -0.14 116.42 121.40 2w49 h ASP 94 Ca 0.08 -0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.38 2w49 h ASP 94 Cb 0.58 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 2w49 h ASP 94 CO 0.03 0.66 -0.44 -0.07 -1.57 0.00 0.00 179.24 177.85 2w49 h LEU 95 N 0.96 0.00 0.00 1.55 3.38 -1.22 -0.27 115.31 119.71 2w49 h LEU 95 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2w49 h LEU 95 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2w49 h LEU 95 CO -0.05 0.44 0.00 -0.24 0.09 0.00 0.00 178.44 178.68 2w49 n SER 96 N -3.95 0.00 -0.03 -0.43 2.88 0.21 -2.97 113.62 109.32 2w49 n SER 96 Ca -0.02 -1.10 -0.08 0.00 -1.33 0.00 0.00 58.87 56.35 2w49 n SER 96 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2w49 n SER 96 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2w49 n GLN 97 N -0.77 0.25 0.00 -1.46 -0.06 -0.25 -4.15 117.38 110.94 2w49 n GLN 97 Ca 0.10 0.11 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 2w49 n GLN 97 Cb 0.04 -0.94 0.00 0.00 -4.06 0.00 0.00 30.24 25.29 2w49 n GLN 97 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2w49 n LYS 98 N -3.79 0.00 -0.06 3.69 4.81 -0.37 0.80 118.16 123.24 2w49 n LYS 98 Ca -0.14 0.12 -0.08 0.00 -0.87 0.00 0.00 58.31 57.34 2w49 n LYS 98 Cb 0.42 -1.63 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 2w49 n LYS 98 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2w49 n LEU 99 N -0.99 1.84 0.22 3.14 7.94 -1.17 -4.60 117.00 123.38 2w49 n LEU 99 Ca 0.00 -0.04 -0.10 0.00 -1.11 0.00 0.00 56.01 54.76 2w49 n LEU 99 Cb 0.13 -0.19 -0.05 0.00 0.53 0.00 0.00 43.42 43.85 2w49 n LEU 99 CO 0.00 0.54 0.52 0.15 -1.11 0.00 0.00 177.39 177.49 2w49 h PHE 100 N 0.00 -0.68 0.00 1.96 3.57 0.24 -1.44 116.94 120.59 2w49 h PHE 100 Ca -0.29 -0.01 -0.56 0.00 3.53 0.00 0.00 57.97 60.64 2w49 h PHE 100 Cb 1.52 0.24 0.02 0.00 2.79 0.00 0.00 35.95 40.53 2w49 h PHE 100 CO 0.01 -0.38 3.20 -0.40 -2.23 0.00 0.00 178.31 178.51 2w49 n ASP 101 N -3.90 7.67 0.00 0.41 3.85 -1.04 0.21 116.55 123.75 2w49 n ASP 101 Ca -0.08 -2.51 0.00 0.00 -0.71 0.00 0.00 54.79 51.50 2w49 n ASP 101 Cb 0.26 -1.45 0.00 0.00 -1.35 0.00 0.00 41.12 38.58 2w49 n ASP 101 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2w49 n LEU 102 N 3.58 0.00 0.16 -2.12 0.00 -1.10 -4.96 117.00 112.56 2w49 n LEU 102 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.70 2w49 n LEU 102 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.70 2w49 n LEU 102 CO 0.75 0.00 0.00 0.54 0.00 0.00 0.00 177.39 178.68 2w49 n ARG 103 N 0.00 0.00 0.00 1.96 5.12 -0.49 -5.05 116.66 118.20 2w49 n ARG 103 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2w49 n ARG 103 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2w49 n ARG 103 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2w49 n GLY 104 N 1.01 0.63 3.71 -0.13 0.00 0.55 -5.01 105.19 105.95 2w49 n GLY 104 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2w49 n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w49 s LYS 105 N -1.83 4.48 0.33 1.61 2.20 -1.26 -4.13 119.74 121.14 2w49 s LYS 105 Ca 0.00 1.60 0.10 0.00 -0.36 0.00 0.00 55.97 57.31 2w49 s LYS 105 Cb 0.00 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 2w49 s LYS 105 CO 0.00 -0.18 -0.11 -0.59 -0.36 0.00 0.00 175.35 174.11 2w49 s PHE 106 N 1.14 2.40 0.66 4.03 -0.71 -1.26 -5.10 117.98 119.14 2w49 s PHE 106 Ca 0.55 -0.45 -0.15 0.00 -1.04 0.00 0.00 56.93 55.84 2w49 s PHE 106 Cb -0.25 -1.30 0.00 0.00 -1.21 0.00 0.00 43.02 40.26 2w49 s PHE 106 CO 0.28 0.61 1.12 0.15 -1.34 0.00 0.00 175.22 176.04 2w49 s LYS 107 N -3.60 2.74 -1.00 1.99 3.01 -1.26 -4.32 119.74 117.30 2w49 s LYS 107 Ca 0.32 1.46 -0.11 0.00 -1.01 0.00 0.00 55.97 56.63 2w49 s LYS 107 Cb 0.00 -1.94 -0.02 0.00 -1.01 0.00 0.00 37.83 34.86 2w49 s LYS 107 CO 0.16 -1.30 0.79 0.54 0.51 0.00 0.00 175.35 176.05 2w49 n ARG 108 N -2.38 -1.54 -2.17 1.68 5.12 -1.26 -4.94 116.66 111.16 2w49 n ARG 108 Ca 0.11 0.81 -0.40 0.00 -1.93 0.00 0.00 57.85 56.44 2w49 n ARG 108 Cb 0.52 -4.74 -0.02 0.00 -1.16 0.00 0.00 32.46 27.06 2w49 n ARG 108 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2w49 s PRO 109 N -4.84 4.18 0.39 5.56 0.02 -1.26 -4.91 135.00 134.14 2w49 s PRO 109 Ca 0.33 2.06 0.09 0.00 0.02 0.00 0.00 61.00 63.50 2w49 s PRO 109 Cb -0.09 -2.88 0.79 0.00 0.02 0.00 0.00 34.50 32.35 2w49 s PRO 109 CO 0.81 -0.28 1.94 -1.00 -0.33 0.00 0.00 177.00 178.14 2w49 h PRO 110 N 3.00 0.32 0.14 5.54 0.13 -1.92 -3.23 132.00 135.97 2w49 h PRO 110 Ca -0.49 -0.06 -0.28 0.00 -0.87 0.00 0.00 66.00 64.30 2w49 h PRO 110 Cb 1.23 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2w49 h PRO 110 CO 0.64 0.38 -1.28 -0.07 -0.23 0.00 0.00 178.00 177.43 2w49 h LEU 111 N 0.31 0.45 -2.95 1.56 -0.00 -1.95 -3.50 115.31 109.24 2w49 h LEU 111 Ca 0.07 -0.49 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2w49 h LEU 111 Cb 0.28 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 2w49 h LEU 111 CO 0.01 1.39 -0.40 0.54 -0.00 0.00 0.00 178.44 179.98 2w49 n ARG 112 N -3.54 -1.88 -2.89 1.13 5.12 -1.22 -4.86 116.66 108.53 2w49 n ARG 112 Ca -0.10 1.65 -0.43 0.00 -1.93 0.00 0.00 57.85 57.04 2w49 n ARG 112 Cb 1.03 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 30.58 2w49 n ARG 112 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2w49 s ARG 113 N -0.23 3.28 -0.07 5.56 3.52 -1.26 -5.02 118.95 124.73 2w49 s ARG 113 Ca -0.05 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.20 2w49 s ARG 113 Cb 0.00 -4.07 -0.01 0.00 -1.56 0.00 0.00 34.95 29.31 2w49 s ARG 113 CO 0.16 -1.47 -0.25 0.54 -0.81 0.00 0.00 175.30 173.48 2w49 s VAL 114 N 3.76 2.07 0.56 7.11 0.11 -1.26 -5.13 120.40 127.63 2w49 s VAL 114 Ca 0.28 -1.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 2w49 s VAL 114 Cb -0.14 -1.76 0.06 0.00 -1.53 0.00 0.00 36.38 33.01 2w49 s VAL 114 CO 0.17 0.57 0.77 -0.13 -3.33 0.00 0.00 175.10 173.15 2w49 s ARG 115 N -0.04 2.39 0.38 1.54 0.52 -1.26 -5.05 118.95 117.44 2w49 s ARG 115 Ca -0.07 -1.15 -0.25 0.00 -0.52 0.00 0.00 55.73 53.74 2w49 s ARG 115 Cb -0.15 -2.56 -0.09 0.00 0.52 0.00 0.00 34.95 32.67 2w49 s ARG 115 CO 0.05 -0.78 1.12 0.00 0.02 0.00 0.00 175.30 175.71 2w49 s MET 116 N -4.71 4.17 0.68 3.54 0.23 -1.26 -4.98 119.30 116.96 2w49 s MET 116 Ca 0.59 1.72 -0.15 0.00 -1.03 0.00 0.00 55.69 56.82 2w49 s MET 116 Cb -0.08 -2.69 0.01 0.00 -1.53 0.00 0.00 34.83 30.54 2w49 s MET 116 CO 0.38 -0.19 1.14 -1.54 -2.03 0.00 0.00 175.02 172.78 2w49 s SER 117 N -1.26 4.81 0.36 -1.18 1.04 -1.26 -4.85 113.70 111.37 2w49 s SER 117 Ca 0.56 2.11 0.06 0.00 0.48 0.00 0.00 55.95 59.16 2w49 s SER 117 Cb -0.28 -2.56 0.70 0.00 0.10 0.00 0.00 66.02 63.98 2w49 s SER 117 CO 0.35 -1.83 1.92 0.00 0.98 0.00 0.00 173.24 174.65 2w49 h ALA 118 N -0.07 1.47 -0.15 5.32 0.00 -1.99 -0.01 119.26 123.82 2w49 h ALA 118 Ca -0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2w49 h ALA 118 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2w49 h ALA 118 CO 0.53 0.38 -0.05 0.22 0.00 0.00 0.00 179.25 180.33 2w49 h ASP 119 N 0.42 0.21 0.14 0.00 3.58 -1.98 0.22 116.42 119.01 2w49 h ASP 119 Ca 0.09 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2w49 h ASP 119 Cb 0.28 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2w49 h ASP 119 CO 0.01 0.29 -0.07 0.00 -2.88 0.00 0.00 179.24 176.59 2w49 h ALA 120 N 1.74 -0.19 -0.68 -0.78 0.00 -1.42 -1.89 119.26 116.04 2w49 h ALA 120 Ca 0.05 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2w49 h ALA 120 Cb 0.24 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2w49 h ALA 120 CO 0.01 -0.29 0.35 1.98 0.00 0.00 0.00 179.25 181.30 2w49 h MET 121 N -0.82 0.59 -0.15 0.00 1.85 -0.90 0.48 114.93 115.97 2w49 h MET 121 Ca -0.02 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 2w49 h MET 121 Cb 0.54 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 2w49 h MET 121 CO 0.03 0.39 0.10 -0.07 -0.40 0.00 0.00 176.91 176.96 2w49 h LEU 122 N 0.61 0.17 0.26 3.39 4.07 -0.60 -0.99 115.31 122.22 2w49 h LEU 122 Ca 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.27 2w49 h LEU 122 Cb 0.30 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2w49 h LEU 122 CO -0.24 0.13 -0.13 -0.09 -1.08 0.00 0.00 178.44 177.02 2w49 h ARG 123 N 0.20 -0.35 -1.01 1.13 2.43 -0.47 -1.16 114.38 115.16 2w49 h ARG 123 Ca 0.05 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.47 2w49 h ARG 123 Cb -0.02 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.50 2w49 h ARG 123 CO -0.01 -0.23 0.62 0.00 -1.51 0.00 0.00 179.97 178.83 2w49 h ALA 124 N 0.39 1.85 0.00 2.80 0.00 0.12 0.22 119.26 124.63 2w49 h ALA 124 Ca -0.03 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2w49 h ALA 124 Cb 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2w49 h ALA 124 CO 0.05 -0.26 -1.52 1.28 0.00 0.00 0.00 179.25 178.80 2w49 n LEU 125 N -4.77 0.80 -0.10 0.00 4.77 -0.39 -4.39 117.00 112.92 2w49 n LEU 125 Ca 0.25 0.36 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 2w49 n LEU 125 Cb 0.70 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2w49 n LEU 125 CO 0.21 0.19 0.10 0.18 -1.33 0.00 0.00 177.39 176.74 2w49 n LEU 126 N -2.89 0.77 0.00 2.23 4.77 -0.47 -5.04 117.00 116.37 2w49 n LEU 126 Ca -0.12 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 2w49 n LEU 126 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2w49 n LEU 126 CO 0.43 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2w49 n GLY 127 N 0.99 1.48 0.36 -0.72 0.00 0.05 -3.03 105.19 104.32 2w49 n GLY 127 Ca 0.03 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2w49 n GLY 127 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2w49 h SER 128 N 0.00 -1.10 -0.73 1.61 4.64 -1.96 -3.35 113.55 112.66 2w49 h SER 128 Ca 0.00 0.10 -0.63 0.00 -0.47 0.00 0.00 61.79 60.80 2w49 h SER 128 Cb 0.00 0.39 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 2w49 h SER 128 CO 0.00 -0.45 2.08 1.17 -0.87 0.00 0.00 176.83 178.76 2w49 n LYS 129 N -4.67 2.90 -3.26 4.77 3.00 -1.17 -4.69 118.16 115.05 2w49 n LYS 129 Ca -0.08 -3.09 -0.24 0.00 -0.00 0.00 0.00 58.31 54.91 2w49 n LYS 129 Cb 0.32 -3.52 -0.08 0.00 0.00 0.00 0.00 35.03 31.76 2w49 n LYS 129 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2w49 n HIS 130 N 9.22 -1.08 -3.49 5.64 -0.00 -1.26 -4.86 115.22 119.39 2w49 n HIS 130 Ca 0.49 -3.18 -0.39 0.00 0.46 0.00 0.00 57.72 55.10 2w49 n HIS 130 Cb 0.46 0.22 -0.04 0.00 -0.12 0.00 0.00 29.99 30.51 2w49 n HIS 130 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2w49 n LYS 131 N 2.36 3.06 -3.23 1.57 0.00 -1.26 -4.92 118.16 115.73 2w49 n LYS 131 Ca 0.26 -4.48 -0.02 0.00 0.00 0.00 0.00 58.31 54.06 2w49 n LYS 131 Cb 0.51 -2.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.05 2w49 n LYS 131 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2w49 s VAL 132 N -1.48 -0.82 0.00 3.15 1.01 -1.26 -5.02 120.40 115.97 2w49 s VAL 132 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2w49 s VAL 132 Cb -0.07 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.30 2w49 s VAL 132 CO -0.09 -0.14 1.70 -0.46 0.00 0.00 0.00 175.10 176.11 2w49 n ASN 133 N 5.29 2.22 -4.53 3.32 2.04 -1.26 -4.90 115.26 117.44 2w49 n ASN 133 Ca 0.04 -1.87 -0.49 0.00 -0.44 0.00 0.00 54.58 51.81 2w49 n ASN 133 Cb 0.52 -0.59 -0.04 0.00 -2.53 0.00 0.00 39.78 37.15 2w49 n ASN 133 CO 0.00 0.00 0.00 1.15 -0.44 0.00 0.00 177.26 177.97 2w49 n MET 134 N 2.66 0.83 0.11 -3.83 0.00 -1.26 -4.83 117.12 110.80 2w49 n MET 134 Ca 0.16 0.29 0.00 0.00 0.00 0.00 0.00 57.70 58.15 2w49 n MET 134 Cb 0.37 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.92 2w49 n MET 134 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2w49 n ASP 135 N 1.80 -1.72 0.00 3.17 3.85 -1.26 -5.05 116.55 117.33 2w49 n ASP 135 Ca 0.15 0.41 0.00 0.00 -0.71 0.00 0.00 54.79 54.64 2w49 n ASP 135 Cb 0.24 1.83 0.00 0.00 -1.35 0.00 0.00 41.12 41.84 2w49 n ASP 135 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2w49 n LEU 136 N -2.97 0.00 -4.35 -2.12 -0.00 -1.26 -5.11 117.00 101.18 2w49 n LEU 136 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 56.01 55.48 2w49 n LEU 136 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2w49 n LEU 136 CO 0.00 0.00 1.87 0.54 -0.00 0.00 0.00 177.39 179.80 2w49 n ARG 137 N -0.62 0.24 -0.91 1.96 5.12 -1.26 -4.93 116.66 116.25 2w49 n ARG 137 Ca 0.00 0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.74 2w49 n ARG 137 Cb 0.00 -1.75 0.19 0.00 -1.16 0.00 0.00 32.46 29.74 2w49 n ARG 137 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2w49 n ALA 138 N 8.94 -2.51 -3.71 7.54 0.00 -1.26 -5.07 120.51 124.44 2w49 n ALA 138 Ca 0.54 -1.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.46 2w49 n ALA 138 Cb 0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 19.45 19.23 2w49 n ALA 138 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2w49 s ASN 139 N -3.97 1.57 -0.02 0.00 2.47 -1.26 -5.13 114.94 108.60 2w49 s ASN 139 Ca 0.57 -0.12 0.04 0.00 0.42 0.00 0.00 52.86 53.76 2w49 s ASN 139 Cb -0.05 -0.30 -0.01 0.00 -1.45 0.00 0.00 41.25 39.44 2w49 s ASN 139 CO 0.43 -0.24 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.21 2w49 s LEU 140 N 2.07 1.95 -0.02 3.21 2.96 -1.26 -5.08 118.68 122.51 2w49 s LEU 140 Ca 0.04 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2w49 s LEU 140 Cb -0.13 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 2w49 s LEU 140 CO -0.05 0.14 0.15 0.29 -1.32 0.00 0.00 176.35 175.57 2w49 n LYS 141 N 2.93 0.00 0.00 1.98 4.01 -1.26 -4.96 118.16 120.86 2w49 n LYS 141 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 2w49 n LYS 141 Cb 0.55 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.88 2w49 n LYS 141 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2w49 n GLN 142 N 0.30 0.00 0.00 1.97 7.27 -1.26 -5.33 117.38 120.33 2w49 n GLN 142 Ca 0.03 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.16 2w49 n GLN 142 Cb 0.00 0.00 0.05 0.00 2.41 0.00 0.00 30.24 32.70 2w49 n GLN 142 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41