#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmj n ALA 2 N 0.00 2.17 -3.61 3.04 0.00 -1.26 -5.00 120.51 115.85 1wmj n ALA 2 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1wmj n ALA 2 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 1wmj n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n ALA 3 N -1.43 -0.93 -2.74 0.00 0.00 -1.26 -2.30 120.51 111.86 1wmj n ALA 3 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wmj n ALA 3 Cb 0.06 -1.59 -0.00 0.00 0.00 0.00 0.00 19.45 17.92 1wmj n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wmj n GLU 4 N -3.00 -3.39 0.00 0.00 2.13 -1.26 -5.05 120.64 110.07 1wmj n GLU 4 Ca 0.05 2.73 0.00 0.00 0.66 0.00 0.00 57.16 60.59 1wmj n GLU 4 Cb 0.33 -5.21 0.00 0.00 0.27 0.00 0.00 31.44 26.83 1wmj n GLU 4 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1wmj n GLU 5 N 0.74 2.06 -0.13 5.31 -0.58 -0.97 -4.92 120.64 122.16 1wmj n GLU 5 Ca -0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1wmj n GLU 5 Cb 0.03 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.92 1wmj n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wmj n GLY 6 N 5.00 2.12 3.90 0.62 0.00 -1.26 -4.79 105.19 110.78 1wmj n GLY 6 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1wmj n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wmj s VAL 7 N -0.59 1.72 -0.94 1.61 -7.23 -1.26 -3.66 120.40 110.04 1wmj s VAL 7 Ca 0.06 -1.48 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 1wmj s VAL 7 Cb 0.05 -2.19 -0.27 0.00 0.56 0.00 0.00 36.38 34.53 1wmj s VAL 7 CO 0.01 0.00 2.30 1.33 -0.31 0.00 0.00 175.10 178.44 1wmj n VAL 8 N -1.76 -0.00 -0.94 1.32 0.24 -1.25 -4.80 118.33 111.13 1wmj n VAL 8 Ca -0.01 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.34 61.53 1wmj n VAL 8 Cb 0.64 -0.54 0.03 0.00 -1.47 0.00 0.00 33.84 32.50 1wmj n VAL 8 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1wmj n ILE 9 N 6.50 0.00 -3.59 1.34 2.08 -1.24 -4.37 119.36 120.08 1wmj n ILE 9 Ca 0.63 -0.45 -0.27 0.00 0.56 0.00 0.00 62.75 63.21 1wmj n ILE 9 Cb 0.19 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.98 1wmj n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wmj n ALA 10 N -2.13 3.80 -1.00 -1.39 0.00 -1.26 0.75 120.51 119.27 1wmj n ALA 10 Ca -0.00 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.79 1wmj n ALA 10 Cb 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1wmj n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n HIS 12 N 0.00 -0.58 -1.91 0.00 8.25 -1.25 -4.73 115.22 115.00 1wmj n HIS 12 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wmj n HIS 12 Cb 0.00 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 27.81 1wmj n HIS 12 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1wmj n ASN 13 N -1.13 0.00 0.00 0.41 5.15 -1.26 -4.92 115.26 113.51 1wmj n ASN 13 Ca -0.19 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 1wmj n ASN 13 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1wmj n LYS 14 N 0.00 0.00 -0.21 1.20 4.81 -1.26 -4.10 118.16 118.60 1wmj n LYS 14 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.63 1wmj n LYS 14 Cb 0.48 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.86 1wmj n LYS 14 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1wmj n ASP 15 N 0.32 0.15 0.07 3.14 2.03 -1.26 0.33 116.55 121.33 1wmj n ASP 15 Ca 0.00 0.80 -0.22 0.00 0.52 0.00 0.00 54.79 55.90 1wmj n ASP 15 Cb 0.00 -0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 39.86 1wmj n ASP 15 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wmj h GLU 16 N 0.00 0.36 -0.89 -0.67 5.08 -1.91 -3.22 114.58 113.33 1wmj h GLU 16 Ca 0.46 -0.62 0.19 0.00 -1.00 0.00 0.00 59.36 58.38 1wmj h GLU 16 Cb 1.35 0.23 -0.11 0.00 0.50 0.00 0.00 28.75 30.72 1wmj h GLU 16 CO -0.32 1.30 0.44 0.35 -1.00 0.00 0.00 179.01 179.77 1wmj h PHE 17 N -0.21 0.75 -0.29 4.33 3.04 0.52 0.18 116.94 125.26 1wmj h PHE 17 Ca -0.20 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.68 1wmj h PHE 17 Cb 1.81 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 40.12 1wmj h PHE 17 CO 0.17 0.07 -0.29 -0.44 -2.02 0.00 0.00 178.31 175.80 1wmj h ASP 18 N 0.53 0.61 -0.56 0.41 3.32 -1.43 -0.98 116.42 118.33 1wmj h ASP 18 Ca 0.53 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 57.42 1wmj h ASP 18 Cb 0.90 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1wmj h ASP 18 CO -0.45 0.87 0.37 0.00 -1.72 0.00 0.00 179.24 178.32 1wmj h ALA 19 N 1.17 1.94 0.00 3.45 0.00 -0.65 -1.09 119.26 124.08 1wmj h ALA 19 Ca 0.07 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1wmj h ALA 19 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1wmj h ALA 19 CO 0.06 -0.05 -0.91 1.96 0.00 0.00 0.00 179.25 180.31 1wmj h GLN 20 N 0.45 0.00 -0.60 0.00 7.50 -1.22 -3.05 115.11 118.19 1wmj h GLN 20 Ca 0.25 0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.57 1wmj h GLN 20 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 1wmj h GLN 20 CO -0.07 0.94 0.58 1.98 -1.50 0.00 0.00 178.83 180.76 1wmj h MET 21 N -1.00 0.00 0.00 1.46 4.05 -1.03 0.64 114.93 119.05 1wmj h MET 21 Ca -0.25 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1wmj h MET 21 Cb 1.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1wmj h MET 21 CO -0.15 0.00 -1.27 2.41 0.23 0.00 0.00 176.91 178.13 1wmj n THR 22 N -3.79 0.66 0.70 -0.77 -1.04 -0.43 -3.93 114.28 105.68 1wmj n THR 22 Ca 0.12 -0.58 0.01 0.00 -2.04 0.00 0.00 64.05 61.56 1wmj n THR 22 Cb 0.81 -0.37 0.06 0.00 -1.82 0.00 0.00 70.33 69.01 1wmj n THR 22 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wmj n LYS 23 N -2.66 1.60 0.00 -2.82 5.02 0.22 -3.53 118.16 116.00 1wmj n LYS 23 Ca -0.03 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1wmj n LYS 23 Cb 0.63 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1wmj n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wmj n ALA 24 N 0.11 2.49 -0.18 7.82 0.00 -1.17 -4.13 120.51 125.44 1wmj n ALA 24 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1wmj n ALA 24 Cb 0.41 0.47 0.01 0.00 0.00 0.00 0.00 19.45 20.34 1wmj n ALA 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1wmj h LYS 25 N 0.00 0.87 0.16 0.00 2.10 -1.72 0.23 116.57 118.21 1wmj h LYS 25 Ca 0.00 -0.24 -0.33 0.00 -2.00 0.00 0.00 60.65 58.08 1wmj h LYS 25 Cb 0.93 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1wmj h LYS 25 CO 0.00 0.86 -1.65 1.05 -2.00 0.00 0.00 179.45 177.71 1wmj h GLU 26 N 0.75 0.34 -0.06 0.07 4.11 -1.86 -3.34 114.58 114.59 1wmj h GLU 26 Ca 0.16 -0.58 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 1wmj h GLU 26 Cb 0.42 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1wmj h GLU 26 CO 0.01 1.28 -0.07 0.00 0.07 0.00 0.00 179.01 180.30 1wmj h ALA 27 N 0.06 1.77 -0.31 1.06 0.00 -1.71 -3.46 119.26 116.66 1wmj h ALA 27 Ca -0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wmj h ALA 27 Cb 1.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1wmj h ALA 27 CO 0.13 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1wmj n GLY 28 N -1.21 1.03 3.21 0.00 0.00 -0.06 -5.00 105.19 103.16 1wmj n GLY 28 Ca -0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1wmj n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wmj s LYS 29 N -2.71 0.95 0.77 1.61 -2.85 -0.46 -5.01 119.74 112.04 1wmj s LYS 29 Ca 0.00 -1.41 -0.11 0.00 -1.00 0.00 0.00 55.97 53.45 1wmj s LYS 29 Cb 0.00 -0.31 0.06 0.00 -2.06 0.00 0.00 37.83 35.52 1wmj s LYS 29 CO 0.00 -0.03 1.08 0.08 0.10 0.00 0.00 175.35 176.59 1wmj s VAL 30 N -3.57 3.39 0.02 1.79 1.01 -0.59 -4.37 120.40 118.07 1wmj s VAL 30 Ca 0.16 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.64 1wmj s VAL 30 Cb 0.05 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1wmj s VAL 30 CO -0.01 -0.59 -0.10 -0.69 0.00 0.00 0.00 175.10 173.71 1wmj s VAL 31 N -3.01 3.38 -0.31 2.92 1.01 -1.23 -2.13 120.40 121.04 1wmj s VAL 31 Ca 0.60 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1wmj s VAL 31 Cb -0.16 -2.46 0.12 0.00 0.00 0.00 0.00 36.38 33.88 1wmj s VAL 31 CO 0.55 0.37 0.20 -0.63 0.00 0.00 0.00 175.10 175.59 1wmj s ILE 32 N -0.98 -0.13 -0.26 2.22 1.09 -1.26 -2.55 121.20 119.33 1wmj s ILE 32 Ca 0.17 -0.87 -0.11 0.00 -1.10 0.00 0.00 60.65 58.73 1wmj s ILE 32 Cb -0.11 -0.98 -0.05 0.00 -1.06 0.00 0.00 42.46 40.26 1wmj s ILE 32 CO 0.07 -0.71 0.18 -0.63 -0.10 0.00 0.00 174.94 173.75 1wmj s ILE 33 N 1.94 5.33 -0.75 2.92 1.09 0.67 -0.74 121.20 131.66 1wmj s ILE 33 Ca 0.11 0.18 -0.16 0.00 -1.10 0.00 0.00 60.65 59.68 1wmj s ILE 33 Cb -0.17 -3.52 0.17 0.00 -1.06 0.00 0.00 42.46 37.89 1wmj s ILE 33 CO -0.27 0.30 0.75 -1.81 -0.10 0.00 0.00 174.94 173.81 1wmj s ASP 34 N 1.40 6.55 0.55 3.58 1.01 0.20 -1.05 116.67 128.91 1wmj s ASP 34 Ca 0.07 -2.24 0.00 0.00 0.71 0.00 0.00 52.55 51.09 1wmj s ASP 34 Cb -0.15 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1wmj s ASP 34 CO 0.08 -0.77 0.00 0.49 0.21 0.00 0.00 175.17 175.17 1wmj n PHE 35 N 4.91 -1.68 0.00 4.23 3.72 -0.07 -1.75 117.46 126.82 1wmj n PHE 35 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1wmj n PHE 35 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1wmj n PHE 35 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1wmj n THR 36 N -1.91 0.00 -0.00 4.37 5.66 0.89 -3.92 114.28 119.38 1wmj n THR 36 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wmj n THR 36 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wmj n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmj h ALA 37 N 0.00 0.00 0.00 1.79 0.00 -1.77 0.98 119.26 120.26 1wmj h ALA 37 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wmj h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wmj h ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.70 1wmj n SER 38 N -2.08 0.00 -0.11 0.00 2.88 -1.26 -4.30 113.62 108.75 1wmj n SER 38 Ca -0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1wmj n SER 38 Cb 0.00 0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.36 1wmj n SER 38 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wmj n TRP 39 N -1.76 0.25 -0.64 0.66 2.14 -1.26 -4.99 117.44 111.83 1wmj n TRP 39 Ca 0.00 0.07 -0.30 0.00 2.07 0.00 0.00 57.50 59.34 1wmj n TRP 39 Cb 0.00 -1.03 0.17 0.00 -0.81 0.00 0.00 31.31 29.64 1wmj n TRP 39 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1wmj n GLY 41 N 2.14 -4.02 0.09 0.00 0.00 -1.26 -4.83 105.19 97.31 1wmj n GLY 41 Ca 0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1wmj n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wmj h PRO 42 N 1.07 -0.09 -6.12 1.61 0.13 -1.87 -3.48 132.00 123.24 1wmj h PRO 42 Ca 0.00 0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.70 1wmj h PRO 42 Cb 0.00 0.02 0.03 0.00 0.13 0.00 0.00 31.00 31.18 1wmj h PRO 42 CO 0.00 0.36 -0.77 0.00 -0.23 0.00 0.00 178.00 177.36 1wmj n ARG 44 N -4.55 0.00 -0.16 0.00 1.74 -1.26 -4.80 116.66 107.63 1wmj n ARG 44 Ca -0.11 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.87 1wmj n ARG 44 Cb 0.59 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1wmj n ARG 44 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1wmj h PHE 45 N 0.00 0.89 -0.63 -1.55 3.57 -2.01 -3.00 116.94 114.21 1wmj h PHE 45 Ca 0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1wmj h PHE 45 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1wmj h PHE 45 CO 0.00 0.86 0.00 1.51 -2.23 0.00 0.00 178.31 178.45 1wmj n ILE 46 N -4.36 1.05 0.17 1.41 3.06 -1.26 -4.56 119.36 114.86 1wmj n ILE 46 Ca 0.00 -1.02 -0.14 0.00 -2.50 0.00 0.00 62.75 59.10 1wmj n ILE 46 Cb 0.31 0.48 -0.07 0.00 0.54 0.00 0.00 39.64 40.90 1wmj n ILE 46 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wmj h ALA 47 N 3.71 -0.52 0.00 1.51 0.00 -1.84 -1.11 119.26 121.01 1wmj h ALA 47 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wmj h ALA 47 Cb 0.95 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wmj h ALA 47 CO 0.01 -0.83 0.00 -0.35 0.00 0.00 0.00 179.25 178.09 1wmj n PRO 48 N -5.38 0.49 -0.12 0.00 -0.04 -1.26 -2.93 135.00 125.76 1wmj n PRO 48 Ca -0.08 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 1wmj n PRO 48 Cb 0.29 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1wmj n PRO 48 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wmj n VAL 49 N -0.69 1.37 0.04 0.52 0.31 -0.47 -4.04 118.33 115.37 1wmj n VAL 49 Ca 0.04 -0.39 -0.01 0.00 -0.01 0.00 0.00 64.34 63.97 1wmj n VAL 49 Cb 0.02 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.21 1wmj n VAL 49 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1wmj h PHE 50 N -0.72 -0.09 -0.65 3.52 0.04 -1.30 0.27 116.94 118.01 1wmj h PHE 50 Ca -0.62 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.29 1wmj h PHE 50 Cb 1.61 0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.68 1wmj h PHE 50 CO -0.06 -0.05 0.03 0.00 -0.60 0.00 0.00 178.31 177.62 1wmj h ALA 51 N -1.95 0.67 -0.16 2.45 0.00 -1.85 0.33 119.26 118.76 1wmj h ALA 51 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1wmj h ALA 51 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wmj h ALA 51 CO 0.02 -0.39 -0.09 1.05 0.00 0.00 0.00 179.25 179.84 1wmj h GLU 52 N 0.14 0.24 -0.12 0.00 4.11 -1.70 -2.84 114.58 114.42 1wmj h GLU 52 Ca 0.35 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.61 1wmj h GLU 52 Cb 0.57 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wmj h GLU 52 CO -0.54 0.34 -0.40 1.88 0.07 0.00 0.00 179.01 180.36 1wmj h TYR 53 N 0.23 0.63 -0.97 2.06 -1.99 0.31 -2.77 116.97 114.47 1wmj h TYR 53 Ca 0.05 -0.26 0.32 0.00 2.00 0.00 0.00 58.73 60.84 1wmj h TYR 53 Cb 0.31 -0.10 -0.16 0.00 2.00 0.00 0.00 36.73 38.77 1wmj h TYR 53 CO 0.00 1.01 0.35 0.00 -0.00 0.00 0.00 178.16 179.52 1wmj h ALA 54 N 0.50 1.66 0.12 3.88 0.00 -0.43 0.34 119.26 125.33 1wmj h ALA 54 Ca -0.02 0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 1wmj h ALA 54 Cb 1.03 0.35 0.03 0.00 0.00 0.00 0.00 17.79 19.20 1wmj h ALA 54 CO 0.09 -0.66 -1.09 0.87 0.00 0.00 0.00 179.25 178.45 1wmj h LYS 55 N 0.12 0.52 -0.42 0.00 1.57 -1.60 -3.24 116.57 113.53 1wmj h LYS 55 Ca 0.69 -0.73 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1wmj h LYS 55 Cb 1.60 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 34.14 1wmj h LYS 55 CO -0.74 1.32 0.35 0.87 -0.57 0.00 0.00 179.45 180.68 1wmj h LYS 56 N 0.08 0.00 -3.47 3.15 1.57 -0.14 -3.25 116.57 114.51 1wmj h LYS 56 Ca -0.17 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.92 1wmj h LYS 56 Cb 1.80 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.75 1wmj h LYS 56 CO 0.21 0.00 -0.35 -0.06 -0.57 0.00 0.00 179.45 178.68 1wmj s PHE 57 N -4.86 3.47 -1.61 -1.35 0.08 -0.02 -4.91 117.98 108.79 1wmj s PHE 57 Ca -0.05 -2.85 0.15 0.00 0.12 0.00 0.00 56.93 54.30 1wmj s PHE 57 Cb 0.18 -3.15 0.81 0.00 -0.57 0.00 0.00 43.02 40.29 1wmj s PHE 57 CO 0.66 -0.79 1.39 -0.35 -0.10 0.00 0.00 175.22 176.02 1wmj n PRO 58 N 3.14 0.30 -0.56 0.24 -0.04 -1.23 -2.74 135.00 134.11 1wmj n PRO 58 Ca 0.11 0.10 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 1wmj n PRO 58 Cb 0.37 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.58 1wmj n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wmj n GLY 59 N -0.02 2.43 3.36 0.55 0.00 -1.26 -4.90 105.19 105.35 1wmj n GLY 59 Ca 0.08 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1wmj n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj s ALA 60 N -2.10 -0.23 -0.14 4.61 0.00 -1.11 -1.55 121.76 121.24 1wmj s ALA 60 Ca 0.34 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1wmj s ALA 60 Cb 0.26 0.81 -0.23 0.00 0.00 0.00 0.00 23.12 23.96 1wmj s ALA 60 CO 0.10 -0.66 0.26 1.33 0.00 0.00 0.00 175.76 176.78 1wmj n VAL 61 N -0.22 1.65 -1.64 0.00 0.24 -0.90 -4.92 118.33 112.53 1wmj n VAL 61 Ca -0.09 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1wmj n VAL 61 Cb 0.63 -1.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 1wmj n VAL 61 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1wmj n PHE 62 N -3.28 -4.33 0.00 6.34 3.01 -1.26 -4.63 117.46 113.31 1wmj n PHE 62 Ca -0.32 2.33 0.00 0.00 1.01 0.00 0.00 57.45 60.46 1wmj n PHE 62 Cb 1.05 -3.52 0.00 0.00 -0.01 0.00 0.00 39.48 37.00 1wmj n PHE 62 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1wmj n LEU 63 N -1.83 0.00 -4.09 4.37 7.94 0.08 -3.61 117.00 119.85 1wmj n LEU 63 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1wmj n LEU 63 Cb 0.26 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.04 1wmj n LEU 63 CO 0.00 0.00 -0.51 -0.75 -1.11 0.00 0.00 177.39 175.02 1wmj s LYS 64 N -1.67 2.40 0.44 1.96 2.36 0.23 0.58 119.74 126.04 1wmj s LYS 64 Ca 0.00 -0.63 0.04 0.00 -2.55 0.00 0.00 55.97 52.83 1wmj s LYS 64 Cb 0.00 -1.98 -0.05 0.00 -1.05 0.00 0.00 37.83 34.75 1wmj s LYS 64 CO 0.00 -0.02 0.02 0.14 1.55 0.00 0.00 175.35 177.04 1wmj s VAL 65 N 0.85 1.54 -0.18 4.02 -7.23 -0.72 0.06 120.40 118.75 1wmj s VAL 65 Ca -0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1wmj s VAL 65 Cb -0.15 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1wmj s VAL 65 CO 0.00 0.00 -0.18 -0.62 -0.31 0.00 0.00 175.10 173.99 1wmj s ASP 66 N -3.74 3.29 -0.06 4.85 2.15 -1.26 -3.60 116.67 118.29 1wmj s ASP 66 Ca 0.24 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.62 1wmj s ASP 66 Cb 0.06 -1.51 0.09 0.00 -0.30 0.00 0.00 42.92 41.26 1wmj s ASP 66 CO 0.12 0.01 1.21 1.33 -0.17 0.00 0.00 175.17 177.68 1wmj n VAL 67 N 4.53 1.39 -0.00 1.11 0.24 0.34 -2.77 118.33 123.17 1wmj n VAL 67 Ca -0.20 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1wmj n VAL 67 Cb 0.50 -0.98 -0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1wmj n VAL 67 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wmj n ASP 68 N 0.36 4.99 -0.03 -1.34 2.03 -1.26 -4.28 116.55 117.02 1wmj n ASP 68 Ca 0.08 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.35 1wmj n ASP 68 Cb 0.65 0.85 -0.03 0.00 -0.72 0.00 0.00 41.12 41.87 1wmj n ASP 68 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wmj n GLU 69 N -1.65 0.78 -0.24 -0.67 0.28 -1.20 -4.72 120.64 113.22 1wmj n GLU 69 Ca -0.00 0.03 0.09 0.00 -0.16 0.00 0.00 57.16 57.11 1wmj n GLU 69 Cb 0.15 -1.13 0.16 0.00 1.43 0.00 0.00 31.44 32.05 1wmj n GLU 69 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1wmj n LEU 70 N -2.58 2.40 -0.29 -1.84 -0.00 -1.11 -4.82 117.00 108.76 1wmj n LEU 70 Ca -0.11 -3.28 0.24 0.00 -0.00 0.00 0.00 56.01 52.87 1wmj n LEU 70 Cb 0.63 -0.45 0.40 0.00 -0.00 0.00 0.00 43.42 44.00 1wmj n LEU 70 CO 0.07 0.90 0.71 2.29 -0.00 0.00 0.00 177.39 181.36 1wmj n LYS 71 N -1.31 -0.02 -0.44 1.47 2.85 -1.24 0.25 118.16 119.72 1wmj n LYS 71 Ca 0.17 0.70 0.36 0.00 -1.05 0.00 0.00 58.31 58.49 1wmj n LYS 71 Cb 0.66 -1.41 0.55 0.00 -0.65 0.00 0.00 35.03 34.18 1wmj n LYS 71 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wmj n GLU 72 N -3.72 0.00 -0.00 -1.58 0.28 -1.26 0.23 120.64 114.60 1wmj n GLU 72 Ca 0.23 0.83 -0.17 0.00 -0.16 0.00 0.00 57.16 57.89 1wmj n GLU 72 Cb 0.93 -1.96 -0.14 0.00 1.43 0.00 0.00 31.44 31.69 1wmj n GLU 72 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1wmj h VAL 73 N 0.00 1.63 0.00 3.84 2.07 -0.59 -3.29 116.25 119.90 1wmj h VAL 73 Ca 0.63 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.67 1wmj h VAL 73 Cb 2.77 3.25 -0.01 0.00 -1.52 0.00 0.00 31.29 35.78 1wmj h VAL 73 CO -0.01 0.66 -0.26 0.00 0.02 0.00 0.00 177.57 177.99 1wmj h ALA 74 N 0.06 1.51 0.00 1.67 0.00 0.27 -2.01 119.26 120.77 1wmj h ALA 74 Ca -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wmj h ALA 74 Cb 1.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wmj h ALA 74 CO 0.09 0.33 -0.06 0.93 0.00 0.00 0.00 179.25 180.53 1wmj h GLU 75 N 0.00 0.00 0.18 0.00 5.08 -1.04 0.49 114.58 119.30 1wmj h GLU 75 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1wmj h GLU 75 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 1wmj h GLU 75 CO 0.03 0.06 -1.35 1.57 -1.00 0.00 0.00 179.01 178.33 1wmj h LYS 76 N 0.00 0.42 0.00 2.33 2.10 -1.43 -3.30 116.57 116.69 1wmj h LYS 76 Ca -0.00 -0.70 0.00 0.00 -2.00 0.00 0.00 60.65 57.95 1wmj h LYS 76 Cb 0.38 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1wmj h LYS 76 CO 0.01 1.33 -0.87 0.66 -2.00 0.00 0.00 179.45 178.57 1wmj n TYR 77 N -3.64 0.40 -2.96 0.07 4.01 -1.00 -5.01 117.16 109.03 1wmj n TYR 77 Ca -0.13 0.12 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 1wmj n TYR 77 Cb 1.06 -0.54 0.01 0.00 -0.31 0.00 0.00 39.34 39.55 1wmj n TYR 77 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wmj n ASN 78 N -2.04 -7.27 0.00 7.72 4.05 0.17 -5.03 115.26 112.85 1wmj n ASN 78 Ca 0.02 -0.12 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1wmj n ASN 78 Cb 0.44 -4.98 0.00 0.00 1.23 0.00 0.00 39.78 36.47 1wmj n ASN 78 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1wmj n VAL 79 N -1.84 0.00 0.00 3.44 0.24 -1.13 -5.06 118.33 113.98 1wmj n VAL 79 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1wmj n VAL 79 Cb 0.51 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1wmj n VAL 79 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wmj n GLU 80 N 0.00 0.00 -3.54 7.34 -0.58 -1.26 -4.97 120.64 117.63 1wmj n GLU 80 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1wmj n GLU 80 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 1wmj n GLU 80 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wmj n ALA 81 N 0.00 -2.58 -3.38 0.62 0.00 -1.26 -5.00 120.51 108.90 1wmj n ALA 81 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1wmj n ALA 81 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 19.45 16.29 1wmj n ALA 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wmj s MET 82 N -5.06 1.68 0.00 0.00 1.00 -1.26 -4.03 119.30 111.63 1wmj s MET 82 Ca 0.29 -1.23 0.00 0.00 0.00 0.00 0.00 55.69 54.76 1wmj s MET 82 Cb -0.10 0.52 0.00 0.00 0.00 0.00 0.00 34.83 35.25 1wmj s MET 82 CO 0.84 -0.73 0.27 -0.35 0.00 0.00 0.00 175.02 175.05 1wmj n PRO 83 N -0.42 0.49 -1.58 2.03 -0.04 -1.25 -0.07 135.00 134.14 1wmj n PRO 83 Ca -0.02 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.86 1wmj n PRO 83 Cb 0.61 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 1wmj n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wmj n THR 84 N 0.17 0.03 -1.76 0.52 -1.04 -1.26 0.12 114.28 111.06 1wmj n THR 84 Ca 0.00 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 1wmj n THR 84 Cb 0.11 -0.48 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 1wmj n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1wmj n PHE 85 N 2.56 2.14 -1.47 -1.42 3.01 -1.26 -0.89 117.46 120.12 1wmj n PHE 85 Ca 0.21 -2.44 -0.44 0.00 1.01 0.00 0.00 57.45 55.79 1wmj n PHE 85 Cb 0.11 -1.65 -0.01 0.00 -0.01 0.00 0.00 39.48 37.92 1wmj n PHE 85 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1wmj n LEU 86 N 1.41 0.03 -4.35 4.37 -0.00 -0.21 -3.82 117.00 114.42 1wmj n LEU 86 Ca 0.57 1.03 -0.29 0.00 -0.00 0.00 0.00 56.01 57.32 1wmj n LEU 86 Cb 0.38 -1.11 -0.14 0.00 -0.00 0.00 0.00 43.42 42.55 1wmj n LEU 86 CO 0.53 -2.57 -0.56 -0.36 -0.00 0.00 0.00 177.39 174.43 1wmj s PHE 87 N -1.25 2.26 -0.51 1.96 0.40 0.50 -0.24 117.98 121.10 1wmj s PHE 87 Ca 0.62 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.60 1wmj s PHE 87 Cb -0.71 -1.32 0.20 0.00 0.51 0.00 0.00 43.02 41.70 1wmj s PHE 87 CO 0.58 0.18 0.49 -0.89 0.70 0.00 0.00 175.22 176.29 1wmj n ILE 88 N 1.55 0.19 -2.50 0.64 2.08 -1.06 -1.55 119.36 118.71 1wmj n ILE 88 Ca -0.17 -4.22 -0.43 0.00 0.56 0.00 0.00 62.75 58.49 1wmj n ILE 88 Cb 0.52 -1.93 -0.02 0.00 -0.75 0.00 0.00 39.64 37.46 1wmj n ILE 88 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1wmj s LYS 89 N -1.06 4.30 0.00 0.38 2.20 -1.26 -2.98 119.74 121.32 1wmj s LYS 89 Ca 0.33 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1wmj s LYS 89 Cb 0.08 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1wmj s LYS 89 CO -0.14 -0.56 0.00 -3.47 -0.36 0.00 0.00 175.35 170.82 1wmj n ASP 90 N 5.91 0.00 0.00 1.43 -0.08 -1.26 -3.71 116.55 118.84 1wmj n ASP 90 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1wmj n ASP 90 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wmj n GLY 91 N -2.00 0.92 0.00 0.27 0.00 -1.16 -4.72 105.19 98.50 1wmj n GLY 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wmj n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 92 N 0.00 0.80 -3.15 4.61 0.00 -1.24 -5.11 120.51 116.42 1wmj n ALA 92 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1wmj n ALA 92 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wmj n ALA 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wmj s GLU 93 N 0.00 0.16 -0.02 0.00 2.12 -1.26 -4.70 118.70 115.00 1wmj s GLU 93 Ca 0.00 0.22 0.08 0.00 0.36 0.00 0.00 54.97 55.63 1wmj s GLU 93 Cb 0.00 0.12 -0.24 0.00 0.26 0.00 0.00 34.13 34.27 1wmj s GLU 93 CO 0.00 -0.22 0.76 0.00 -0.54 0.00 0.00 175.26 175.26 1wmj h ALA 94 N 7.68 0.61 0.00 6.30 0.00 -1.56 -3.45 119.26 128.85 1wmj h ALA 94 Ca -0.11 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1wmj h ALA 94 Cb 1.17 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1wmj h ALA 94 CO -0.11 1.45 0.00 -0.25 0.00 0.00 0.00 179.25 180.34 1wmj n ASP 95 N -3.19 0.00 -1.53 0.00 8.00 -1.24 -4.99 116.55 113.59 1wmj n ASP 95 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1wmj n ASP 95 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1wmj n ASP 95 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wmj n LYS 96 N -0.86 1.37 0.00 -1.24 4.01 -1.26 0.19 118.16 120.37 1wmj n LYS 96 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1wmj n LYS 96 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1wmj n LYS 96 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1wmj n VAL 97 N 0.00 0.00 0.00 -0.18 0.31 -1.25 -4.87 118.33 112.34 1wmj n VAL 97 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wmj n VAL 97 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1wmj n VAL 97 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wmj n VAL 98 N 0.00 0.00 -0.59 2.52 0.31 -1.26 -4.51 118.33 114.80 1wmj n VAL 98 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1wmj n VAL 98 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1wmj n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wmj n GLY 99 N 0.00 2.40 0.12 2.92 0.00 0.31 -2.83 105.19 108.11 1wmj n GLY 99 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1wmj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 100 N 1.94 1.24 -3.95 4.61 0.00 -1.26 -4.48 120.51 118.61 1wmj n ALA 100 Ca 0.14 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 1wmj n ALA 100 Cb 0.56 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1wmj n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wmj s ARG 101 N 0.00 1.80 0.00 0.00 3.00 -1.13 -4.98 118.95 117.64 1wmj s ARG 101 Ca 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 55.73 55.11 1wmj s ARG 101 Cb 0.00 -2.28 0.48 0.00 0.00 0.00 0.00 34.95 33.14 1wmj s ARG 101 CO 0.00 -0.44 1.34 1.17 0.00 0.00 0.00 175.30 177.37 1wmj n LYS 102 N 4.75 1.38 0.00 3.54 0.00 -1.26 -2.63 118.16 123.94 1wmj n LYS 102 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 58.31 57.59 1wmj n LYS 102 Cb 0.47 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.28 1wmj n LYS 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wmj n ASP 103 N -0.10 0.08 -0.01 3.14 2.03 -1.26 -4.70 116.55 115.72 1wmj n ASP 103 Ca 0.10 -0.45 0.05 0.00 0.52 0.00 0.00 54.79 55.01 1wmj n ASP 103 Cb 0.16 0.68 -0.11 0.00 -0.72 0.00 0.00 41.12 41.13 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wmj n ASP 104 N -0.68 1.80 0.00 1.67 2.03 -1.21 -4.31 116.55 115.86 1wmj n ASP 104 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wmj n ASP 104 Cb 0.01 1.52 0.00 0.00 -0.72 0.00 0.00 41.12 41.92 1wmj n ASP 104 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1wmj n LEU 105 N -2.06 1.29 0.03 -2.67 7.94 -1.08 -2.42 117.00 118.03 1wmj n LEU 105 Ca -0.05 0.34 0.22 0.00 -1.11 0.00 0.00 56.01 55.40 1wmj n LEU 105 Cb 0.45 -0.21 0.62 0.00 0.53 0.00 0.00 43.42 44.81 1wmj n LEU 105 CO 0.29 -0.21 1.19 0.06 -1.11 0.00 0.00 177.39 177.62 1wmj h GLN 106 N 0.00 0.00 -0.07 1.96 -0.00 -1.84 0.81 115.11 115.97 1wmj h GLN 106 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 1wmj h GLN 106 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1wmj h GLN 106 CO 0.00 0.00 -0.78 -0.91 -0.00 0.00 0.00 178.83 177.14 1wmj h ASN 107 N 0.00 0.53 0.16 0.06 2.35 -1.75 -2.88 115.58 114.05 1wmj h ASN 107 Ca 0.26 -0.36 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 1wmj h ASN 107 Cb 1.68 -0.16 0.03 0.00 0.05 0.00 0.00 38.32 39.92 1wmj h ASN 107 CO -0.00 1.12 -0.96 0.74 -1.65 0.00 0.00 177.43 176.68 1wmj h THR 108 N 0.29 1.45 -0.04 2.81 2.02 0.93 -3.18 112.91 117.19 1wmj h THR 108 Ca -0.04 -2.55 0.01 0.00 0.77 0.00 0.00 66.41 64.60 1wmj h THR 108 Cb 1.37 3.13 -0.00 0.00 -1.74 0.00 0.00 68.15 70.91 1wmj h THR 108 CO 0.14 0.73 0.04 0.40 0.37 0.00 0.00 175.52 177.20 1wmj h ILE 109 N -0.23 0.69 0.00 3.11 5.03 -1.26 -0.22 117.51 124.64 1wmj h ILE 109 Ca -0.17 0.00 -0.17 0.00 -0.12 0.00 0.00 64.86 64.41 1wmj h ILE 109 Cb 1.75 0.97 -0.02 0.00 -3.03 0.00 0.00 36.82 36.49 1wmj h ILE 109 CO 0.18 0.00 -0.80 -0.37 -0.68 0.00 0.00 178.15 176.48 1wmj h VAL 110 N 0.00 1.44 0.00 1.67 -1.51 -1.56 1.07 116.25 117.36 1wmj h VAL 110 Ca 0.02 -2.86 -0.21 0.00 -1.23 0.00 0.00 66.70 62.43 1wmj h VAL 110 Cb 0.10 2.60 -0.03 0.00 -2.13 0.00 0.00 31.29 31.82 1wmj h VAL 110 CO -0.00 0.78 -1.06 0.07 -1.23 0.00 0.00 177.57 176.13 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -1.08 -0.29 116.57 122.49 1wmj h LYS 111 Ca -0.01 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.20 1wmj h LYS 111 Cb 1.53 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.79 1wmj h LYS 111 CO 0.10 0.83 -2.51 0.72 -2.00 0.00 0.00 179.45 176.59 1wmj n HIS 112 N -3.27 0.03 -0.06 0.07 8.25 -0.34 -4.11 115.22 115.80 1wmj n HIS 112 Ca -0.03 0.01 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1wmj n HIS 112 Cb 0.93 -1.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.89 1wmj n HIS 112 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wmj n VAL 113 N -4.02 1.52 0.83 1.59 0.31 0.33 -4.12 118.33 114.77 1wmj n VAL 113 Ca -0.52 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.12 1wmj n VAL 113 Cb 0.91 -0.83 0.53 0.00 -0.91 0.00 0.00 33.84 33.54 1wmj n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wmj n GLY 114 N 1.66 -1.49 4.21 2.92 0.00 0.11 -4.78 105.19 107.83 1wmj n GLY 114 Ca -0.25 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1wmj n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 115 N -1.58 -1.17 0.00 4.61 0.00 -0.37 -4.38 120.51 117.62 1wmj n ALA 115 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wmj n ALA 115 Cb 0.34 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1wmj n ALA 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wmj n THR 116 N -3.79 0.00 -2.83 0.00 -1.04 -1.05 -5.06 114.28 100.52 1wmj n THR 116 Ca 0.10 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.09 1wmj n THR 116 Cb 0.45 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.95 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wmj n ALA 117 N -1.04 -2.95 -0.59 2.41 0.00 -0.47 -4.87 120.51 113.01 1wmj n ALA 117 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1wmj n ALA 117 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1wmj n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n ALA 118 N 1.33 0.00 -3.07 0.00 0.00 -1.26 -4.71 120.51 112.80 1wmj n ALA 118 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1wmj n ALA 118 Cb 0.28 0.30 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 1wmj n ALA 118 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wmj s SER 119 N -2.78 -0.18 0.05 0.00 1.04 -1.26 -5.16 113.70 105.40 1wmj s SER 119 Ca 0.00 0.35 -0.28 0.00 0.48 0.00 0.00 55.95 56.50 1wmj s SER 119 Cb 0.00 0.37 0.09 0.00 0.10 0.00 0.00 66.02 66.58 1wmj s SER 119 CO 0.00 -0.08 0.98 0.00 0.98 0.00 0.00 173.24 175.12 1wmj s ALA 120 N 0.02 -1.80 -0.35 5.32 0.00 -1.26 -5.03 121.76 118.66 1wmj s ALA 120 Ca -0.01 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 1wmj s ALA 120 Cb -0.02 0.48 0.19 0.00 0.00 0.00 0.00 23.12 23.77 1wmj s ALA 120 CO 0.00 -0.88 0.98 0.45 0.00 0.00 0.00 175.76 176.31 1wmj s SER 121 N -2.72 -0.55 0.00 0.00 0.15 -1.26 -5.24 113.70 104.08 1wmj s SER 121 Ca 0.09 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1wmj s SER 121 Cb -0.01 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1wmj s SER 121 CO -0.03 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.35