#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmu s HIS 2 N 0.00 -0.30 -0.15 3.52 4.02 -1.26 -5.13 115.29 116.00 1wmu s HIS 2 Ca 0.00 -0.62 -0.23 0.00 1.02 0.00 0.00 55.06 55.23 1wmu s HIS 2 Cb 0.00 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.58 31.08 1wmu s HIS 2 CO 0.00 -0.94 0.72 -1.58 1.02 0.00 0.00 174.74 173.95 1wmu s TRP 3 N 1.77 3.46 0.44 1.40 0.52 -1.26 -5.07 118.94 120.19 1wmu s TRP 3 Ca 0.14 1.14 -0.04 0.00 0.02 0.00 0.00 56.10 57.36 1wmu s TRP 3 Cb -0.15 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 1wmu s TRP 3 CO -0.14 -0.11 0.72 0.95 0.02 0.00 0.00 176.95 178.39 1wmu s THR 4 N 1.61 4.96 0.25 2.01 -4.23 -1.26 -4.93 115.64 114.06 1wmu s THR 4 Ca 0.35 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1wmu s THR 4 Cb -0.17 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 70.05 1wmu s THR 4 CO 0.13 -0.76 1.86 0.28 -0.54 0.00 0.00 174.62 175.59 1wmu h SER 5 N 0.42 0.90 -0.74 3.99 0.02 -1.99 -1.43 113.55 114.71 1wmu h SER 5 Ca -0.48 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1wmu h SER 5 Cb 1.21 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1wmu h SER 5 CO 0.62 0.57 0.31 -0.08 -1.14 0.00 0.00 176.83 177.10 1wmu h GLU 6 N 1.03 1.10 -0.16 3.45 4.81 -1.99 -1.70 114.58 121.12 1wmu h GLU 6 Ca 0.40 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1wmu h GLU 6 Cb 0.20 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1wmu h GLU 6 CO -0.18 0.90 -0.01 0.93 -0.73 0.00 0.00 179.01 179.91 1wmu h GLU 7 N 1.06 0.29 -0.88 1.92 5.08 -1.75 -1.83 114.58 118.47 1wmu h GLU 7 Ca 0.25 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1wmu h GLU 7 Cb 0.20 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1wmu h GLU 7 CO -0.02 0.52 0.57 0.87 -1.00 0.00 0.00 179.01 179.95 1wmu h LYS 8 N 0.03 0.97 -0.45 2.33 1.57 -1.17 -1.97 116.57 117.88 1wmu h LYS 8 Ca 0.04 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1wmu h LYS 8 Cb 0.39 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1wmu h LYS 8 CO 0.01 0.64 -0.27 0.37 -0.57 0.00 0.00 179.45 179.64 1wmu h GLN 9 N 1.00 0.99 -0.65 3.15 5.75 -1.14 -0.04 115.11 124.18 1wmu h GLN 9 Ca 0.38 -0.45 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1wmu h GLN 9 Cb 0.19 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1wmu h GLN 9 CO -0.14 1.12 0.33 1.88 -2.65 0.00 0.00 178.83 179.38 1wmu h TYR 10 N 0.83 0.89 0.21 3.99 0.05 -0.69 -1.09 116.97 121.16 1wmu h TYR 10 Ca 0.10 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1wmu h TYR 10 Cb 0.86 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1wmu h TYR 10 CO 0.06 0.64 -0.10 0.82 -1.05 0.00 0.00 178.16 178.53 1wmu h ILE 11 N 0.91 0.36 -0.82 -2.88 2.04 -1.18 -3.12 117.51 112.82 1wmu h ILE 11 Ca 0.23 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1wmu h ILE 11 Cb 0.07 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1wmu h ILE 11 CO -0.03 0.10 0.36 0.71 0.00 0.00 0.00 178.15 179.29 1wmu h THR 12 N -1.02 1.26 -0.54 -0.27 1.35 -1.02 -1.41 112.91 111.27 1wmu h THR 12 Ca -0.03 -0.78 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 1wmu h THR 12 Cb 0.38 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 1wmu h THR 12 CO 0.05 0.33 0.01 0.77 -0.25 0.00 0.00 175.52 176.42 1wmu h SER 13 N 1.18 0.88 -0.01 5.36 4.64 -1.35 -2.37 113.55 121.88 1wmu h SER 13 Ca 0.28 -0.23 -0.22 0.00 -0.47 0.00 0.00 61.79 61.15 1wmu h SER 13 Cb 0.17 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1wmu h SER 13 CO -0.03 0.93 -0.86 0.25 -0.87 0.00 0.00 176.83 176.25 1wmu h LEU 14 N 0.84 0.77 -1.56 5.97 5.85 -1.45 -3.28 115.31 122.46 1wmu h LEU 14 Ca 0.16 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 58.15 1wmu h LEU 14 Cb 0.49 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1wmu h LEU 14 CO 0.02 1.41 0.30 -0.25 -0.34 0.00 0.00 178.44 179.59 1wmu h TRP 15 N 0.22 0.57 0.00 1.25 2.91 -1.19 -1.33 115.95 118.38 1wmu h TRP 15 Ca -0.10 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.93 1wmu h TRP 15 Cb 1.53 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 1wmu h TRP 15 CO 0.12 0.36 0.00 0.00 -1.03 0.00 0.00 178.44 177.88 1wmu h ALA 16 N 1.72 1.00 -0.01 2.65 0.00 -1.48 -1.50 119.26 121.64 1wmu h ALA 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wmu h ALA 16 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wmu h ALA 16 CO -0.04 0.00 -0.58 1.63 0.00 0.00 0.00 179.25 180.26 1wmu n LYS 17 N -2.96 1.20 -2.28 0.00 5.02 -0.52 -4.99 118.16 113.63 1wmu n LYS 17 Ca -0.02 -0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 55.26 1wmu n LYS 17 Cb 0.12 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1wmu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wmu s VAL 18 N -2.43 3.62 -0.74 -0.18 1.01 -0.57 -4.96 120.40 116.15 1wmu s VAL 18 Ca 0.13 1.16 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 1wmu s VAL 18 Cb 0.15 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1wmu s VAL 18 CO 0.60 0.09 1.05 0.21 0.00 0.00 0.00 175.10 177.05 1wmu s ASN 19 N 1.08 6.28 0.25 3.32 3.84 -1.26 -4.88 114.94 123.56 1wmu s ASN 19 Ca 0.62 -1.18 -0.05 0.00 0.21 0.00 0.00 52.86 52.46 1wmu s ASN 19 Cb -0.34 -2.44 0.35 0.00 -0.55 0.00 0.00 41.25 38.27 1wmu s ASN 19 CO 0.30 -1.40 1.87 0.58 -2.79 0.00 0.00 177.10 175.65 1wmu h VAL 20 N 6.00 1.08 -0.30 -5.21 2.07 -1.94 0.03 116.25 117.98 1wmu h VAL 20 Ca -0.17 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1wmu h VAL 20 Cb 1.06 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1wmu h VAL 20 CO 1.19 0.20 0.09 1.23 0.02 0.00 0.00 177.57 180.30 1wmu h GLY 21 N 1.08 0.50 0.58 2.17 0.00 -1.90 0.14 103.07 105.65 1wmu h GLY 21 Ca 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1wmu h GLY 21 CO -0.16 0.28 -0.01 -2.09 0.00 0.00 0.00 176.54 174.56 1wmu h GLU 22 N 0.33 -0.01 -0.60 4.80 4.81 -1.88 -1.71 114.58 120.31 1wmu h GLU 22 Ca 0.10 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1wmu h GLU 22 Cb 0.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1wmu h GLU 22 CO -0.00 0.40 0.14 0.28 -0.73 0.00 0.00 179.01 179.10 1wmu h VAL 23 N -0.44 1.24 -0.31 0.32 2.07 -1.03 -1.57 116.25 116.53 1wmu h VAL 23 Ca -0.00 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1wmu h VAL 23 Cb 0.43 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1wmu h VAL 23 CO 0.00 0.33 -0.13 1.23 0.02 0.00 0.00 177.57 179.03 1wmu h GLY 24 N 1.02 0.69 1.08 2.17 0.00 -0.72 -0.40 103.07 106.91 1wmu h GLY 24 Ca 0.19 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1wmu h GLY 24 CO 0.00 0.55 0.32 -1.33 0.00 0.00 0.00 176.54 176.08 1wmu h GLY 25 N 0.40 1.26 0.93 4.60 0.00 -1.18 -2.05 103.07 107.02 1wmu h GLY 25 Ca 0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1wmu h GLY 25 CO 0.04 0.64 0.10 0.83 0.00 0.00 0.00 176.54 178.15 1wmu h GLU 26 N 1.14 0.62 -0.32 4.80 4.39 -1.14 -1.14 114.58 122.93 1wmu h GLU 26 Ca 0.26 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1wmu h GLU 26 Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1wmu h GLU 26 CO -0.02 0.65 0.15 0.00 -1.16 0.00 0.00 179.01 178.62 1wmu h ALA 27 N 0.95 0.42 -0.34 3.43 0.00 -0.83 -0.95 119.26 121.94 1wmu h ALA 27 Ca 0.12 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1wmu h ALA 27 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wmu h ALA 27 CO 0.00 -0.01 -0.45 1.25 0.00 0.00 0.00 179.25 180.04 1wmu h LEU 28 N 0.38 0.96 -0.44 0.00 7.12 -1.37 -1.39 115.31 120.56 1wmu h LEU 28 Ca 0.11 -0.47 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 1wmu h LEU 28 Cb 0.14 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 1wmu h LEU 28 CO -0.01 1.26 0.24 0.00 -0.13 0.00 0.00 178.44 179.80 1wmu h ALA 29 N 0.77 0.57 -0.25 1.25 0.00 -1.12 -2.01 119.26 118.47 1wmu h ALA 29 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1wmu h ALA 29 Cb 1.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wmu h ALA 29 CO 0.11 0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.38 1wmu h ARG 30 N 0.58 0.40 0.00 0.00 3.08 -1.06 -0.85 114.38 116.53 1wmu h ARG 30 Ca 0.16 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1wmu h ARG 30 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wmu h ARG 30 CO -0.02 0.48 -0.00 1.25 -1.07 0.00 0.00 179.97 180.61 1wmu h LEU 31 N 0.38 -0.00 -1.19 3.04 5.85 -0.74 0.24 115.31 122.89 1wmu h LEU 31 Ca 0.08 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1wmu h LEU 31 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1wmu h LEU 31 CO 0.02 0.13 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.12 1wmu h LEU 32 N -0.14 0.47 0.09 2.25 3.38 -1.12 -1.05 115.31 119.19 1wmu h LEU 32 Ca -0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1wmu h LEU 32 Cb 0.14 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1wmu h LEU 32 CO 0.00 0.58 -0.68 0.40 0.09 0.00 0.00 178.44 178.84 1wmu h ILE 33 N 0.47 1.51 -0.03 1.22 2.04 -0.99 -3.21 117.51 118.51 1wmu h ILE 33 Ca 0.10 -2.45 -0.20 0.00 1.00 0.00 0.00 64.86 63.30 1wmu h ILE 33 Cb 0.40 3.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1wmu h ILE 33 CO 0.02 0.67 -0.83 0.58 0.00 0.00 0.00 178.15 178.58 1wmu h VAL 34 N -0.57 1.41 -2.45 1.67 2.07 -0.56 -3.36 116.25 114.46 1wmu h VAL 34 Ca -0.13 -2.34 -0.60 0.00 0.82 0.00 0.00 66.70 64.45 1wmu h VAL 34 Cb 1.46 2.29 -0.41 0.00 -1.52 0.00 0.00 31.29 33.11 1wmu h VAL 34 CO 0.08 0.70 -0.72 -1.22 0.02 0.00 0.00 177.57 176.43 1wmu n TYR 35 N -3.77 2.33 -0.13 1.57 4.01 -0.40 -4.99 117.16 115.78 1wmu n TYR 35 Ca -0.05 -4.01 0.28 0.00 -0.16 0.00 0.00 57.90 53.96 1wmu n TYR 35 Cb 0.77 -0.45 0.68 0.00 -0.31 0.00 0.00 39.34 40.03 1wmu n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1wmu h PRO 36 N 4.69 0.00 0.00 -0.72 0.13 -1.71 -1.45 132.00 132.94 1wmu h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1wmu h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1wmu h PRO 36 CO 0.68 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.53 1wmu h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.81 115.95 113.88 1wmu h TRP 37 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.38 1wmu h TRP 37 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.18 1wmu h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 1wmu h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.57 -1.81 112.91 111.00 1wmu h THR 38 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1wmu h THR 38 Cb 0.23 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1wmu h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1wmu h GLN 39 N 0.00 0.00 -0.60 4.72 4.20 -1.54 -2.56 115.11 119.34 1wmu h GLN 39 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1wmu h GLN 39 Cb 0.28 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1wmu h GLN 39 CO 0.00 0.00 0.40 -0.09 -0.67 0.00 0.00 178.83 178.47 1wmu h ARG 40 N 0.00 0.41 -0.00 1.46 2.43 -1.53 -1.58 114.38 115.56 1wmu h ARG 40 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1wmu h ARG 40 Cb 0.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1wmu h ARG 40 CO 0.00 0.27 -0.04 1.19 -1.51 0.00 0.00 179.97 179.88 1wmu n PHE 41 N -4.47 0.00 -2.12 2.20 3.72 -0.96 -4.08 117.46 111.75 1wmu n PHE 41 Ca 0.10 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 1wmu n PHE 41 Cb 0.36 -0.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.88 1wmu n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1wmu n PHE 42 N -0.74 2.02 0.06 1.38 3.72 -0.59 -4.85 117.46 118.46 1wmu n PHE 42 Ca 0.19 -2.05 0.12 0.00 -0.05 0.00 0.00 57.45 55.67 1wmu n PHE 42 Cb 0.23 -0.30 0.60 0.00 -0.94 0.00 0.00 39.48 39.06 1wmu n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wmu h ALA 43 N 2.05 2.13 -0.00 4.37 0.00 -1.71 -1.53 119.26 124.57 1wmu h ALA 43 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wmu h ALA 43 Cb 1.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1wmu h ALA 43 CO 0.53 -0.21 -0.01 -1.13 0.00 0.00 0.00 179.25 178.43 1wmu n SER 44 N -4.47 0.11 -0.07 0.00 3.41 -1.26 -3.85 113.62 107.49 1wmu n SER 44 Ca 0.05 -0.59 0.13 0.00 -0.26 0.00 0.00 58.87 58.20 1wmu n SER 44 Cb 0.32 -0.13 0.72 0.00 -0.26 0.00 0.00 64.21 64.85 1wmu n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1wmu n PHE 45 N -1.08 0.01 -3.52 7.33 3.01 -0.57 -5.03 117.46 117.61 1wmu n PHE 45 Ca 0.18 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1wmu n PHE 45 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1wmu n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wmu n GLY 46 N 0.94 -1.00 3.64 1.37 0.00 -1.25 -4.80 105.19 104.09 1wmu n GLY 46 Ca 0.19 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1wmu n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wmu n ASN 47 N 0.41 3.89 -0.74 1.61 2.85 -1.26 -4.83 115.26 117.19 1wmu n ASN 47 Ca 0.00 0.71 0.04 0.00 -0.11 0.00 0.00 54.58 55.22 1wmu n ASN 47 Cb 0.00 -1.53 0.07 0.00 1.24 0.00 0.00 39.78 39.56 1wmu n ASN 47 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1wmu n LEU 48 N 8.69 1.19 0.00 1.20 4.77 -1.26 -4.40 117.00 127.19 1wmu n LEU 48 Ca 0.23 -2.18 0.08 0.00 -0.03 0.00 0.00 56.01 54.11 1wmu n LEU 48 Cb 0.41 -0.17 0.40 0.00 -2.33 0.00 0.00 43.42 41.74 1wmu n LEU 48 CO 0.68 0.60 0.71 -1.54 -1.33 0.00 0.00 177.39 176.51 1wmu n SER 49 N -0.30 0.00 -3.63 -1.43 3.41 -1.26 -4.76 113.62 105.65 1wmu n SER 49 Ca 0.08 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 1wmu n SER 49 Cb 0.82 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1wmu n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wmu s SER 50 N -2.48 -0.39 0.22 4.04 1.04 -1.26 -5.00 113.70 109.87 1wmu s SER 50 Ca 0.16 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.24 1wmu s SER 50 Cb 0.11 0.62 0.19 0.00 0.10 0.00 0.00 66.02 67.04 1wmu s SER 50 CO 0.23 -1.07 1.87 0.00 0.98 0.00 0.00 173.24 175.24 1wmu h ALA 51 N 2.00 1.10 -0.57 5.32 0.00 -1.98 -0.40 119.26 124.73 1wmu h ALA 51 Ca -0.26 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1wmu h ALA 51 Cb 1.27 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1wmu h ALA 51 CO 0.30 0.56 0.05 -0.91 0.00 0.00 0.00 179.25 179.26 1wmu h ASN 52 N 1.19 0.93 -0.74 0.00 2.35 -1.98 -1.03 115.58 116.30 1wmu h ASN 52 Ca 0.31 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1wmu h ASN 52 Cb -0.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1wmu h ASN 52 CO -0.06 0.98 0.36 0.00 -1.65 0.00 0.00 177.43 177.06 1wmu h ALA 53 N 0.98 0.95 -0.55 -0.83 0.00 -1.78 -2.25 119.26 115.78 1wmu h ALA 53 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wmu h ALA 53 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1wmu h ALA 53 CO 0.02 0.51 0.07 0.82 0.00 0.00 0.00 179.25 180.67 1wmu h ILE 54 N 1.03 1.26 0.00 0.00 2.04 -0.81 -2.06 117.51 118.97 1wmu h ILE 54 Ca 0.25 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1wmu h ILE 54 Cb 0.11 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1wmu h ILE 54 CO -0.03 0.36 0.00 -0.07 0.00 0.00 0.00 178.15 178.41 1wmu h LEU 55 N 0.81 0.00 -2.62 1.44 3.38 -0.91 -2.52 115.31 114.89 1wmu h LEU 55 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wmu h LEU 55 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wmu h LEU 55 CO 0.01 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.95 1wmu n HIS 56 N -2.89 0.50 -2.66 1.13 8.25 -0.87 -4.94 115.22 113.73 1wmu n HIS 56 Ca 0.00 -0.41 -0.43 0.00 -0.26 0.00 0.00 57.72 56.62 1wmu n HIS 56 Cb 0.24 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1wmu n HIS 56 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1wmu s ASN 57 N -1.04 6.56 0.27 0.41 3.84 -0.80 -4.93 114.94 119.25 1wmu s ASN 57 Ca 0.28 0.30 -0.01 0.00 0.21 0.00 0.00 52.86 53.64 1wmu s ASN 57 Cb 0.15 -2.52 0.50 0.00 -0.55 0.00 0.00 41.25 38.83 1wmu s ASN 57 CO 0.20 -1.23 1.81 0.00 -2.79 0.00 0.00 177.10 175.09 1wmu h ALA 58 N 9.24 1.37 -0.47 1.71 0.00 -1.91 -1.94 119.26 127.26 1wmu h ALA 58 Ca -0.24 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1wmu h ALA 58 Cb 1.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1wmu h ALA 58 CO 1.11 0.13 -0.22 -0.22 0.00 0.00 0.00 179.25 180.05 1wmu h LYS 59 N 0.86 0.96 -0.33 0.00 1.63 -1.91 0.02 116.57 117.79 1wmu h LYS 59 Ca 0.46 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1wmu h LYS 59 Cb 0.48 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1wmu h LYS 59 CO -0.28 1.07 0.20 0.28 -3.45 0.00 0.00 179.45 177.28 1wmu h VAL 60 N 0.83 1.11 -0.48 2.00 2.07 -1.74 0.13 116.25 120.18 1wmu h VAL 60 Ca 0.11 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1wmu h VAL 60 Cb 0.79 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1wmu h VAL 60 CO 0.07 0.11 0.15 -0.07 0.02 0.00 0.00 177.57 177.85 1wmu h LEU 61 N 0.43 0.69 -0.55 2.57 3.38 -1.19 -0.07 115.31 120.56 1wmu h LEU 61 Ca 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1wmu h LEU 61 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1wmu h LEU 61 CO -0.02 0.71 0.14 0.00 0.09 0.00 0.00 178.44 179.36 1wmu h ALA 62 N 1.01 0.73 -0.55 1.53 0.00 -0.76 -1.99 119.26 119.23 1wmu h ALA 62 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wmu h ALA 62 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wmu h ALA 62 CO -0.01 0.42 0.04 1.25 0.00 0.00 0.00 179.25 180.96 1wmu h HIS 63 N 0.78 0.96 -0.46 0.00 -0.00 -0.54 -2.26 115.15 113.62 1wmu h HIS 63 Ca 0.17 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 1wmu h HIS 63 Cb 0.33 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1wmu h HIS 63 CO 0.02 0.84 0.14 0.78 -0.00 0.00 0.00 177.93 179.72 1wmu h GLY 64 N 1.00 0.73 1.01 5.26 0.00 -0.69 -0.64 103.07 109.74 1wmu h GLY 64 Ca 0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1wmu h GLY 64 CO 0.02 0.36 0.20 -1.61 0.00 0.00 0.00 176.54 175.50 1wmu h GLN 65 N 0.67 0.95 -0.22 4.80 -0.00 -0.82 -1.18 115.11 119.32 1wmu h GLN 65 Ca 0.16 -0.20 -0.11 0.00 -0.00 0.00 0.00 58.65 58.49 1wmu h GLN 65 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 1wmu h GLN 65 CO -0.01 0.84 -0.35 0.87 0.00 0.00 0.00 178.83 180.18 1wmu h LYS 66 N 0.88 0.46 -0.22 1.69 1.57 -0.88 -1.26 116.57 118.81 1wmu h LYS 66 Ca 0.20 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1wmu h LYS 66 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1wmu h LYS 66 CO -0.01 0.76 -0.12 0.28 -0.57 0.00 0.00 179.45 179.79 1wmu h VAL 67 N 0.39 1.31 0.00 0.50 2.07 -0.83 -2.10 116.25 117.59 1wmu h VAL 67 Ca 0.04 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1wmu h VAL 67 Cb 0.80 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1wmu h VAL 67 CO 0.07 0.37 -0.37 -0.07 0.02 0.00 0.00 177.57 177.58 1wmu h LEU 68 N 0.17 0.00 -1.07 2.57 -0.00 -1.15 -1.21 115.31 114.63 1wmu h LEU 68 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.86 1wmu h LEU 68 Cb 0.62 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 1wmu h LEU 68 CO 0.03 0.37 -0.10 0.74 -0.00 0.00 0.00 178.44 179.49 1wmu h THR 69 N 0.00 1.23 -0.39 0.22 2.02 -1.06 -0.82 112.91 114.11 1wmu h THR 69 Ca -0.00 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1wmu h THR 69 Cb 0.72 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1wmu h THR 69 CO 0.05 0.33 0.00 -1.28 0.37 0.00 0.00 175.52 174.99 1wmu h SER 70 N 0.51 0.67 -0.46 4.18 0.87 -0.55 -1.77 113.55 117.00 1wmu h SER 70 Ca 0.10 -0.31 0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1wmu h SER 70 Cb 0.48 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1wmu h SER 70 CO 0.03 0.81 0.31 -0.26 -0.53 0.00 0.00 176.83 177.19 1wmu h PHE 71 N 0.51 0.49 0.00 2.24 0.04 -0.75 0.75 116.94 120.22 1wmu h PHE 71 Ca 0.11 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1wmu h PHE 71 Cb 0.47 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 1wmu h PHE 71 CO 0.04 0.29 -0.06 0.78 -0.60 0.00 0.00 178.31 178.76 1wmu h GLY 72 N 0.51 0.00 2.00 -1.45 0.00 -0.28 -0.11 103.07 103.74 1wmu h GLY 72 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1wmu h GLY 72 CO -0.05 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.32 1wmu h GLU 73 N 0.00 0.00 0.13 4.80 4.39 -0.54 -1.04 114.58 122.32 1wmu h GLU 73 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1wmu h GLU 73 Cb 0.10 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1wmu h GLU 73 CO 0.01 0.00 -0.76 0.00 -1.16 0.00 0.00 179.01 177.10 1wmu h ALA 74 N 2.00 -0.07 -0.89 3.43 0.00 -0.99 -3.15 119.26 119.58 1wmu h ALA 74 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 54.91 54.27 1wmu h ALA 74 Cb 0.60 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1wmu h ALA 74 CO 0.00 0.36 0.56 0.28 0.00 0.00 0.00 179.25 180.45 1wmu h VAL 75 N -0.43 1.07 0.00 0.00 2.07 -1.09 -2.03 116.25 115.84 1wmu h VAL 75 Ca -0.14 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wmu h VAL 75 Cb 1.59 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1wmu h VAL 75 CO 0.13 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.20 1wmu n LYS 76 N -4.58 0.17 -2.99 1.57 5.02 -0.42 -4.06 118.16 112.86 1wmu n LYS 76 Ca 0.13 0.27 -0.16 0.00 -2.02 0.00 0.00 58.31 56.53 1wmu n LYS 76 Cb 0.16 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 1wmu n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wmu n ASN 77 N -2.05 -1.05 0.14 4.39 2.85 -0.85 -5.01 115.26 113.68 1wmu n ASN 77 Ca 0.04 -3.06 0.16 0.00 -0.11 0.00 0.00 54.58 51.61 1wmu n ASN 77 Cb 0.31 0.48 0.73 0.00 1.24 0.00 0.00 39.78 42.55 1wmu n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1wmu h LEU 78 N 3.74 0.00 -0.94 1.20 3.38 -1.53 -2.38 115.31 118.77 1wmu h LEU 78 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wmu h LEU 78 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1wmu h LEU 78 CO 0.38 0.00 -0.04 0.47 0.09 0.00 0.00 178.44 179.35 1wmu n ASP 79 N -4.19 1.50 -2.12 -0.43 8.00 -1.26 -4.19 116.55 113.87 1wmu n ASP 79 Ca 0.04 -1.44 -0.06 0.00 0.71 0.00 0.00 54.79 54.04 1wmu n ASP 79 Cb 0.37 0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1wmu n ASP 79 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wmu n ASN 80 N 0.11 2.47 -0.03 -2.24 3.02 -0.90 -4.89 115.26 112.81 1wmu n ASN 80 Ca 0.18 -2.74 -0.11 0.00 -0.03 0.00 0.00 54.58 51.88 1wmu n ASN 80 Cb 0.37 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1wmu n ASN 80 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wmu h ILE 81 N 4.31 1.15 -0.85 2.41 2.04 -1.72 -1.58 117.51 123.27 1wmu h ILE 81 Ca 0.01 -0.43 0.16 0.00 1.00 0.00 0.00 64.86 65.60 1wmu h ILE 81 Cb 1.42 1.20 -0.10 0.00 -0.74 0.00 0.00 36.82 38.60 1wmu h ILE 81 CO 0.32 0.13 0.41 0.50 0.00 0.00 0.00 178.15 179.51 1wmu h LYS 82 N 0.06 0.53 -0.23 2.37 3.64 -1.90 -1.77 116.57 119.27 1wmu h LYS 82 Ca 0.04 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1wmu h LYS 82 Cb 0.16 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1wmu h LYS 82 CO -0.00 0.35 -0.33 1.57 -2.27 0.00 0.00 179.45 178.77 1wmu h LYS 83 N 0.55 0.64 -0.19 1.90 -0.00 -1.91 -2.95 116.57 114.60 1wmu h LYS 83 Ca 0.48 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.65 60.75 1wmu h LYS 83 Cb 0.75 0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.00 1wmu h LYS 83 CO -0.41 0.99 0.08 1.15 -0.00 0.00 0.00 179.45 181.26 1wmu h THR 84 N 0.34 1.07 -0.41 0.07 2.02 -0.44 -3.01 112.91 112.56 1wmu h THR 84 Ca 0.02 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1wmu h THR 84 Cb 0.91 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1wmu h THR 84 CO 0.08 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.54 1wmu n PHE 85 N -4.46 0.53 -0.27 3.16 3.72 -0.86 -4.56 117.46 114.71 1wmu n PHE 85 Ca -0.00 -0.33 0.02 0.00 -0.05 0.00 0.00 57.45 57.09 1wmu n PHE 85 Cb 0.11 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 38.80 1wmu n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wmu h ALA 86 N 3.57 1.09 0.13 4.37 0.00 -1.37 0.15 119.26 127.21 1wmu h ALA 86 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wmu h ALA 86 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wmu h ALA 86 CO 0.00 0.03 -0.06 0.37 0.00 0.00 0.00 179.25 179.59 1wmu h GLN 87 N 0.71 -0.17 0.00 0.00 4.15 -1.81 -2.60 115.11 115.38 1wmu h GLN 87 Ca 0.38 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.78 1wmu h GLN 87 Cb 0.37 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1wmu h GLN 87 CO -0.26 0.02 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.43 1wmu h LEU 88 N -0.34 0.00 -0.53 -2.39 3.38 -1.75 -2.28 115.31 111.40 1wmu h LEU 88 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1wmu h LEU 88 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1wmu h LEU 88 CO 0.03 0.16 0.15 -1.28 0.09 0.00 0.00 178.44 177.59 1wmu h SER 89 N 0.00 0.79 -0.57 -0.43 0.87 -0.39 -1.15 113.55 112.68 1wmu h SER 89 Ca -0.00 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 1wmu h SER 89 Cb 0.35 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1wmu h SER 89 CO 0.02 0.80 0.15 -0.08 -0.53 0.00 0.00 176.83 177.19 1wmu h GLU 90 N 0.74 0.90 0.45 2.24 4.81 -1.06 -1.13 114.58 121.53 1wmu h GLU 90 Ca 0.17 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1wmu h GLU 90 Cb 0.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1wmu h GLU 90 CO -0.00 0.84 -0.23 1.25 -0.73 0.00 0.00 179.01 180.14 1wmu h LEU 91 N 0.81 -0.55 -1.05 1.64 5.85 -1.15 0.21 115.31 121.06 1wmu h LEU 91 Ca 0.18 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1wmu h LEU 91 Cb 0.33 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1wmu h LEU 91 CO 0.00 -0.38 -0.37 0.45 -0.34 0.00 0.00 178.44 177.80 1wmu h HIS 92 N -0.62 0.23 0.00 1.25 3.86 -1.20 0.15 115.15 118.81 1wmu h HIS 92 Ca -0.06 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1wmu h HIS 92 Cb 0.49 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1wmu h HIS 92 CO -0.06 0.55 -0.54 0.00 0.86 0.00 0.00 177.93 178.74 1wmu h GLU 94 N -1.00 0.35 0.00 0.00 4.57 -0.75 -3.02 114.58 114.73 1wmu h GLU 94 Ca -0.01 -0.35 -0.24 0.00 -1.18 0.00 0.00 59.36 57.58 1wmu h GLU 94 Cb 0.54 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 1wmu h GLU 94 CO -0.01 1.02 -1.49 1.17 -1.18 0.00 0.00 179.01 178.53 1wmu n LYS 95 N -3.75 0.55 0.10 1.92 4.81 -0.91 -4.64 118.16 116.24 1wmu n LYS 95 Ca -0.05 0.44 0.06 0.00 -0.87 0.00 0.00 58.31 57.88 1wmu n LYS 95 Cb 0.79 -1.63 -0.01 0.00 0.02 0.00 0.00 35.03 34.20 1wmu n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1wmu h LEU 96 N -1.00 0.00 -1.85 3.14 3.38 -0.83 -3.49 115.31 114.66 1wmu h LEU 96 Ca -0.36 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.24 1wmu h LEU 96 Cb 1.23 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.09 1wmu h LEU 96 CO -0.22 0.31 -0.81 1.41 0.09 0.00 0.00 178.44 179.22 1wmu n HIS 97 N -2.91 -2.06 -3.13 1.13 8.25 -0.32 -4.96 115.22 111.22 1wmu n HIS 97 Ca -0.03 0.86 -0.40 0.00 -0.26 0.00 0.00 57.72 57.90 1wmu n HIS 97 Cb 0.69 -4.60 -0.06 0.00 1.12 0.00 0.00 29.99 27.14 1wmu n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wmu s VAL 98 N -3.52 5.05 0.20 1.59 1.01 0.05 -5.01 120.40 119.76 1wmu s VAL 98 Ca 0.06 1.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 1wmu s VAL 98 Cb -0.01 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1wmu s VAL 98 CO 0.78 0.17 1.55 -0.62 0.00 0.00 0.00 175.10 176.98 1wmu s ASP 99 N 1.04 6.57 0.62 3.32 -1.08 -1.26 -4.75 116.67 121.13 1wmu s ASP 99 Ca 0.30 2.67 0.28 0.00 -0.52 0.00 0.00 52.55 55.29 1wmu s ASP 99 Cb -0.16 -2.60 1.48 0.00 -1.46 0.00 0.00 42.92 40.18 1wmu s ASP 99 CO 0.12 -0.82 1.87 -0.65 0.52 0.00 0.00 175.17 176.21 1wmu h PRO 100 N 6.25 0.00 -0.28 4.34 0.11 -1.96 -1.57 132.00 138.89 1wmu h PRO 100 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1wmu h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1wmu h PRO 100 CO 0.88 0.00 0.19 1.49 -0.21 0.00 0.00 178.00 180.35 1wmu h GLU 101 N 0.00 0.29 0.00 1.05 4.57 -2.00 -1.03 114.58 117.47 1wmu h GLU 101 Ca 0.12 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1wmu h GLU 101 Cb 1.01 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1wmu h GLU 101 CO -0.00 0.19 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.02 1wmu h ASN 102 N 0.30 0.00 -0.16 1.04 2.35 -1.65 -2.31 115.58 115.15 1wmu h ASN 102 Ca 0.11 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1wmu h ASN 102 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1wmu h ASN 102 CO -0.02 0.09 -0.33 -0.26 -1.65 0.00 0.00 177.43 175.26 1wmu h PHE 103 N 0.00 0.77 -0.18 1.19 0.04 -1.35 -1.44 116.94 115.97 1wmu h PHE 103 Ca -0.00 -0.20 -0.18 0.00 2.80 0.00 0.00 57.97 60.39 1wmu h PHE 103 Cb 0.60 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1wmu h PHE 103 CO 0.00 0.90 -0.62 0.87 -0.60 0.00 0.00 178.31 178.86 1wmu h LYS 104 N 0.56 0.64 -0.57 1.51 1.57 -1.44 -2.30 116.57 116.53 1wmu h LYS 104 Ca 0.06 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1wmu h LYS 104 Cb 0.83 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1wmu h LYS 104 CO 0.07 1.06 0.18 -0.07 -0.57 0.00 0.00 179.45 180.12 1wmu h LEU 105 N 0.47 0.84 -0.66 2.94 3.38 -1.19 -0.90 115.31 120.19 1wmu h LEU 105 Ca -0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1wmu h LEU 105 Cb 1.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1wmu h LEU 105 CO 0.12 0.82 0.24 0.25 0.09 0.00 0.00 178.44 179.96 1wmu h LEU 106 N 0.81 0.93 -0.93 1.67 5.85 -1.24 -1.59 115.31 120.81 1wmu h LEU 106 Ca 0.18 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1wmu h LEU 106 Cb 0.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1wmu h LEU 106 CO -0.01 0.87 0.61 1.23 -0.34 0.00 0.00 178.44 180.80 1wmu h GLY 107 N 0.94 1.34 1.04 3.75 0.00 -1.01 -0.66 103.07 108.46 1wmu h GLY 107 Ca 0.22 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1wmu h GLY 107 CO -0.01 0.42 0.20 3.43 0.00 0.00 0.00 176.54 180.58 1wmu h ASN 108 N 1.20 0.99 -0.67 0.19 -0.26 -0.76 -2.13 115.58 114.15 1wmu h ASN 108 Ca 0.36 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1wmu h ASN 108 Cb -0.04 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 36.92 1wmu h ASN 108 CO -0.11 0.94 0.36 0.40 -1.06 0.00 0.00 177.43 177.96 1wmu h ILE 109 N 0.99 1.21 -0.82 2.81 2.04 -0.56 -2.40 117.51 120.78 1wmu h ILE 109 Ca 0.22 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1wmu h ILE 109 Cb 0.31 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1wmu h ILE 109 CO -0.01 0.24 0.48 0.25 0.00 0.00 0.00 178.15 179.11 1wmu h LEU 110 N 0.92 1.00 -0.47 1.44 5.85 -0.80 -0.23 115.31 123.02 1wmu h LEU 110 Ca 0.23 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1wmu h LEU 110 Cb 0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1wmu h LEU 110 CO -0.04 0.78 0.28 0.40 -0.34 0.00 0.00 178.44 179.52 1wmu h ILE 111 N 1.14 1.15 -0.51 4.05 1.08 -0.94 -0.07 117.51 123.40 1wmu h ILE 111 Ca 0.29 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1wmu h ILE 111 Cb -0.02 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1wmu h ILE 111 CO -0.05 0.15 0.16 0.40 -0.69 0.00 0.00 178.15 178.12 1wmu h ILE 112 N 0.62 1.23 -0.48 -0.67 2.04 -0.95 -2.10 117.51 117.21 1wmu h ILE 112 Ca 0.17 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1wmu h ILE 112 Cb -0.00 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1wmu h ILE 112 CO -0.03 0.28 0.28 0.58 0.00 0.00 0.00 178.15 179.26 1wmu h VAL 113 N 0.70 1.16 -0.68 1.67 2.07 -0.70 -1.85 116.25 118.62 1wmu h VAL 113 Ca 0.17 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1wmu h VAL 113 Cb 0.27 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1wmu h VAL 113 CO -0.01 0.16 0.45 -0.07 0.02 0.00 0.00 177.57 178.12 1wmu h LEU 114 N 0.64 0.70 -0.84 2.57 3.38 -0.85 -1.50 115.31 119.42 1wmu h LEU 114 Ca 0.17 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1wmu h LEU 114 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1wmu h LEU 114 CO -0.03 0.49 -0.15 0.00 0.09 0.00 0.00 178.44 178.84 1wmu h ALA 115 N 1.60 1.02 0.00 1.53 0.00 -0.67 -0.26 119.26 122.49 1wmu h ALA 115 Ca 0.27 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1wmu h ALA 115 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wmu h ALA 115 CO -0.07 0.59 -0.32 1.79 0.00 0.00 0.00 179.25 181.24 1wmu h THR 116 N 0.63 0.77 0.00 0.00 1.35 -0.53 -3.15 112.91 111.98 1wmu h THR 116 Ca 0.10 -1.36 -0.17 0.00 -0.55 0.00 0.00 66.41 64.43 1wmu h THR 116 Cb 0.61 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 1wmu h THR 116 CO 0.04 0.31 -1.53 1.41 -0.25 0.00 0.00 175.52 175.51 1wmu n HIS 117 N -3.49 0.85 -3.20 4.73 -0.00 -0.78 -4.62 115.22 108.71 1wmu n HIS 117 Ca -0.00 0.28 -0.23 0.00 -0.00 0.00 0.00 57.72 57.77 1wmu n HIS 117 Cb 0.48 -1.05 -0.06 0.00 -0.00 0.00 0.00 29.99 29.36 1wmu n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1wmu n PHE 118 N -2.84 0.96 -0.20 4.41 3.72 -0.14 -4.98 117.46 118.39 1wmu n PHE 118 Ca -0.11 -3.79 0.01 0.00 -0.05 0.00 0.00 57.45 53.51 1wmu n PHE 118 Cb 0.85 -0.42 0.11 0.00 -0.94 0.00 0.00 39.48 39.08 1wmu n PHE 118 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1wmu h PRO 119 N 3.59 0.31 -0.08 -1.08 0.13 -1.80 0.15 132.00 133.22 1wmu h PRO 119 Ca 0.11 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.99 1wmu h PRO 119 Cb 0.83 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.90 1wmu h PRO 119 CO 0.57 0.20 -0.85 0.87 -0.23 0.00 0.00 178.00 178.57 1wmu h LYS 120 N 0.32 0.72 0.00 0.86 1.79 -1.93 -3.34 116.57 114.99 1wmu h LYS 120 Ca 0.31 -0.67 -0.13 0.00 -2.18 0.00 0.00 60.65 57.99 1wmu h LYS 120 Cb 0.44 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1wmu h LYS 120 CO -0.37 1.26 -0.72 0.93 -1.08 0.00 0.00 179.45 179.48 1wmu h GLU 121 N 0.41 0.00 -3.31 3.15 3.07 -1.95 -3.39 114.58 112.56 1wmu h GLU 121 Ca -0.08 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.08 1wmu h GLU 121 Cb 1.50 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.38 1wmu h GLU 121 CO 0.17 0.54 3.28 0.34 -1.40 0.00 0.00 179.01 181.94 1wmu n PHE 122 N -3.19 2.84 -1.28 4.33 7.35 0.03 -4.75 117.46 122.79 1wmu n PHE 122 Ca -0.00 -3.00 -0.29 0.00 -0.76 0.00 0.00 57.45 53.41 1wmu n PHE 122 Cb 0.78 -2.38 0.17 0.00 0.35 0.00 0.00 39.48 38.40 1wmu n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1wmu s THR 123 N 1.89 2.00 0.31 -2.13 -4.23 -1.26 -4.67 115.64 107.55 1wmu s THR 123 Ca 0.58 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1wmu s THR 123 Cb 0.16 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.72 1wmu s THR 123 CO -0.07 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.22 1wmu h PRO 124 N -1.81 0.88 -0.66 3.99 0.11 -1.98 0.16 132.00 132.68 1wmu h PRO 124 Ca -0.54 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.44 1wmu h PRO 124 Cb 1.33 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1wmu h PRO 124 CO 0.59 0.58 0.08 0.00 -0.21 0.00 0.00 178.00 179.04 1wmu h ALA 125 N 1.55 0.90 -0.52 -0.75 0.00 -1.96 -0.69 119.26 117.79 1wmu h ALA 125 Ca 0.46 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1wmu h ALA 125 Cb 0.51 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wmu h ALA 125 CO -0.23 0.67 -0.00 1.03 0.00 0.00 0.00 179.25 180.72 1wmu h SER 126 N 1.03 0.90 -0.93 0.00 0.87 -1.45 -2.71 113.55 111.27 1wmu h SER 126 Ca 0.20 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1wmu h SER 126 Cb 0.47 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1wmu h SER 126 CO 0.02 0.99 0.61 -0.61 -0.53 0.00 0.00 176.83 177.31 1wmu h GLN 127 N 0.79 1.22 -0.62 2.24 4.15 -0.36 -1.34 115.11 121.19 1wmu h GLN 127 Ca 0.15 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1wmu h GLN 127 Cb 0.53 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1wmu h GLN 127 CO 0.03 0.81 0.40 0.00 -1.93 0.00 0.00 178.83 178.14 1wmu h ALA 128 N 1.34 0.80 -0.28 3.38 0.00 -0.89 0.12 119.26 123.72 1wmu h ALA 128 Ca 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1wmu h ALA 128 Cb -0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1wmu h ALA 128 CO -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.35 1wmu h ALA 129 N 1.25 0.38 -0.11 0.00 0.00 -1.14 -1.90 119.26 117.73 1wmu h ALA 129 Ca 0.24 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wmu h ALA 129 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wmu h ALA 129 CO -0.07 0.14 -0.32 -1.49 0.00 0.00 0.00 179.25 177.50 1wmu h TRP 130 N 0.28 0.24 -0.22 0.00 4.06 -1.01 -1.58 115.95 117.73 1wmu h TRP 130 Ca 0.08 -0.05 -0.15 0.00 2.06 0.00 0.00 58.89 60.82 1wmu h TRP 130 Cb 0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 1wmu h TRP 130 CO 0.04 0.52 -0.50 1.15 -3.56 0.00 0.00 178.44 176.09 1wmu h THR 131 N 0.19 1.31 -0.41 1.49 2.02 -0.67 -0.82 112.91 116.03 1wmu h THR 131 Ca 0.03 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.45 1wmu h THR 131 Cb 0.67 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1wmu h THR 131 CO 0.05 0.54 0.07 0.50 0.37 0.00 0.00 175.52 177.05 1wmu h LYS 132 N 0.47 0.62 0.25 6.66 3.64 -0.92 -1.58 116.57 125.71 1wmu h LYS 132 Ca 0.02 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1wmu h LYS 132 Cb 1.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1wmu h LYS 132 CO 0.10 0.59 -0.12 1.25 -2.27 0.00 0.00 179.45 178.99 1wmu h LEU 133 N 0.60 -0.28 -1.53 5.20 7.12 -0.64 -1.85 115.31 123.93 1wmu h LEU 133 Ca 0.13 -0.24 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1wmu h LEU 133 Cb 0.27 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1wmu h LEU 133 CO 0.00 0.15 -0.05 -0.37 -0.13 0.00 0.00 178.44 178.04 1wmu h VAL 134 N -0.78 1.14 -0.23 1.05 -1.51 -1.11 -1.40 116.25 113.41 1wmu h VAL 134 Ca -0.03 -0.57 -0.15 0.00 -1.23 0.00 0.00 66.70 64.72 1wmu h VAL 134 Cb 0.51 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1wmu h VAL 134 CO 0.06 0.18 -0.46 0.78 -1.23 0.00 0.00 177.57 176.90 1wmu h ASN 135 N 0.23 0.64 -0.36 4.19 -0.26 -1.31 -1.08 115.58 117.64 1wmu h ASN 135 Ca 0.05 -0.31 -0.11 0.00 -0.56 0.00 0.00 56.30 55.38 1wmu h ASN 135 Cb 0.25 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1wmu h ASN 135 CO 0.01 1.01 -0.16 0.00 -1.06 0.00 0.00 177.43 177.22 1wmu h ALA 136 N 1.02 0.90 -0.42 -0.83 0.00 -0.45 0.76 119.26 120.24 1wmu h ALA 136 Ca 0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1wmu h ALA 136 Cb 0.98 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1wmu h ALA 136 CO 0.09 0.63 -0.22 0.28 0.00 0.00 0.00 179.25 180.03 1wmu h VAL 137 N 0.73 1.28 -0.63 0.00 2.07 -1.13 -1.02 116.25 117.54 1wmu h VAL 137 Ca 0.11 -1.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 1wmu h VAL 137 Cb 0.67 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1wmu h VAL 137 CO 0.05 0.46 0.03 0.00 0.02 0.00 0.00 177.57 178.13 1wmu h ALA 138 N 0.82 0.86 -0.53 1.67 0.00 -0.95 -1.72 119.26 119.41 1wmu h ALA 138 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1wmu h ALA 138 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1wmu h ALA 138 CO 0.07 0.67 0.23 1.25 0.00 0.00 0.00 179.25 181.47 1wmu h HIS 139 N 1.00 0.79 -0.69 0.00 6.17 -0.72 -1.19 115.15 120.50 1wmu h HIS 139 Ca 0.18 -0.05 -0.04 0.00 0.71 0.00 0.00 60.37 61.17 1wmu h HIS 139 Cb 0.53 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 30.19 1wmu h HIS 139 CO 0.04 0.64 0.26 0.00 0.71 0.00 0.00 177.93 179.57 1wmu h ALA 140 N 1.07 1.16 0.00 5.26 0.00 -0.93 -2.49 119.26 123.33 1wmu h ALA 140 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1wmu h ALA 140 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1wmu h ALA 140 CO -0.02 0.60 -0.58 -0.07 0.00 0.00 0.00 179.25 179.19 1wmu h LEU 141 N 1.00 0.00 -0.15 0.00 3.38 -1.06 -3.07 115.31 115.41 1wmu h LEU 141 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1wmu h LEU 141 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wmu h LEU 141 CO -0.02 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1wmu n ALA 142 N -2.36 2.14 0.32 1.53 0.00 -0.47 -3.46 120.51 118.21 1wmu n ALA 142 Ca -0.01 -0.01 0.21 0.00 0.00 0.00 0.00 53.44 53.64 1wmu n ALA 142 Cb 0.62 -1.45 1.11 0.00 0.00 0.00 0.00 19.45 19.74 1wmu n ALA 142 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wmu h LEU 143 N 0.00 0.00 0.00 0.00 3.38 -1.37 -0.65 115.31 116.67 1wmu h LEU 143 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wmu h LEU 143 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wmu h LEU 143 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1wmu n GLY 144 N -0.94 -0.65 0.03 0.83 0.00 -1.23 -2.73 105.19 100.50 1wmu n GLY 144 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1wmu n GLY 144 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wmu n TYR 145 N -0.93 0.00 1.59 1.61 4.01 -0.26 -4.74 117.16 118.44 1wmu n TYR 145 Ca 0.13 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.02 1wmu n TYR 145 Cb 0.06 -0.28 0.60 0.00 -0.31 0.00 0.00 39.34 39.41 1wmu n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12