#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 3.41 -3.67 3.04 0.00 -1.26 -4.98 120.51 117.04 1wmj n ALA 2 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.74 1wmj n ALA 2 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.72 -1.13 -2.78 0.00 0.00 -1.26 -2.31 120.51 111.31 1wmj n ALA 3 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1wmj n ALA 3 Cb 0.34 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.16 -3.15 0.00 0.00 2.13 -1.26 -5.05 120.64 110.16 1wmj n GLU 4 Ca -0.02 2.57 0.00 0.00 0.66 0.00 0.00 57.16 60.37 1wmj n GLU 4 Cb 0.37 -5.02 0.00 0.00 0.27 0.00 0.00 31.44 27.06 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 0.67 2.27 -0.19 5.31 -0.58 -0.98 -4.92 120.64 122.23 1wmj n GLU 5 Ca 0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.73 1wmj n GLU 5 Cb 0.09 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.00 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 2.21 3.94 0.62 0.00 -1.26 -4.84 105.19 110.86 1wmj n GLY 6 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.78 2.11 -0.78 1.61 -7.23 -1.26 -3.53 120.40 110.54 1wmj s VAL 7 Ca 0.09 -1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 58.72 1wmj s VAL 7 Cb 0.08 -2.41 -0.17 0.00 0.56 0.00 0.00 36.38 34.44 1wmj s VAL 7 CO 0.02 0.00 2.47 1.33 -0.31 0.00 0.00 175.10 178.62 1wmj n VAL 8 N -1.84 -0.03 -0.85 1.32 0.24 -1.24 -4.84 118.33 111.08 1wmj n VAL 8 Ca 0.05 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 1wmj n VAL 8 Cb 0.63 -1.50 0.10 0.00 -1.47 0.00 0.00 33.84 31.60 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 7.60 0.00 -3.30 1.34 2.08 -1.26 -4.51 119.36 121.31 1wmj n ILE 9 Ca 0.53 -0.21 -0.22 0.00 0.56 0.00 0.00 62.75 63.40 1wmj n ILE 9 Cb 0.30 -0.31 -0.08 0.00 -0.75 0.00 0.00 39.64 38.79 1wmj n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wmj s ALA 10 N -2.14 0.51 1.30 -1.39 0.00 -1.26 0.11 121.76 118.90 1wmj s ALA 10 Ca 0.47 -1.83 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 1wmj s ALA 10 Cb -0.06 -1.83 0.32 0.00 0.00 0.00 0.00 23.12 21.55 1wmj s ALA 10 CO 0.69 -2.06 1.06 0.00 0.00 0.00 0.00 175.76 175.45 1wmj n HIS 12 N -5.11 -0.21 0.00 0.00 8.25 -1.26 -4.56 115.22 112.32 1wmj n HIS 12 Ca 0.14 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1wmj n HIS 12 Cb 0.60 0.58 0.00 0.00 1.12 0.00 0.00 29.99 32.29 1wmj n HIS 12 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wmj n ASN 13 N -0.16 0.00 0.00 0.41 0.23 -1.26 -4.96 115.26 109.52 1wmj n ASN 13 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1wmj n ASN 13 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1wmj n LYS 14 N 0.00 0.00 -0.13 -3.83 4.81 -1.26 -4.42 118.16 113.32 1wmj n LYS 14 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1wmj n LYS 14 Cb 0.00 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.22 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 1.38 0.04 0.05 3.14 2.03 -1.26 0.31 116.55 122.24 1wmj n ASP 15 Ca 0.00 0.67 -0.20 0.00 0.52 0.00 0.00 54.79 55.78 1wmj n ASP 15 Cb 0.00 -0.28 -0.15 0.00 -0.72 0.00 0.00 41.12 39.97 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 0.30 -0.92 -0.67 5.08 -1.98 -3.18 114.58 113.23 1wmj h GLU 16 Ca 0.29 -0.52 0.20 0.00 -1.00 0.00 0.00 59.36 58.32 1wmj h GLU 16 Cb 0.69 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1wmj h GLU 16 CO -0.34 1.25 0.60 0.35 -1.00 0.00 0.00 179.01 179.86 1wmj h PHE 17 N -0.36 0.64 -0.06 4.33 3.04 0.45 0.18 116.94 125.15 1wmj h PHE 17 Ca -0.15 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.65 1wmj h PHE 17 Cb 1.66 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.96 1wmj h PHE 17 CO 0.20 0.17 -0.70 -0.44 -2.02 0.00 0.00 178.31 175.52 1wmj h ASP 18 N 0.48 0.36 -0.15 0.41 3.32 -1.01 -2.24 116.42 117.59 1wmj h ASP 18 Ca 0.48 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.35 1wmj h ASP 18 Cb 1.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1wmj h ASP 18 CO -0.21 0.94 0.32 0.00 -1.72 0.00 0.00 179.24 178.58 1wmj h ALA 19 N 1.05 1.62 0.00 3.45 0.00 -0.62 -1.63 119.26 123.13 1wmj h ALA 19 Ca -0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 1wmj h ALA 19 Cb 1.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1wmj h ALA 19 CO 0.11 -0.40 -2.13 1.04 0.00 0.00 0.00 179.25 177.87 1wmj n GLN 20 N -3.29 0.52 0.31 0.00 3.00 -1.14 -3.68 117.38 113.09 1wmj n GLN 20 Ca 0.01 0.22 0.10 0.00 -0.01 0.00 0.00 57.00 57.33 1wmj n GLN 20 Cb 0.42 -1.37 0.54 0.00 0.00 0.00 0.00 30.24 29.82 1wmj n GLN 20 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wmj h MET 21 N -0.89 0.00 0.00 -1.09 2.86 -1.14 1.11 114.93 115.78 1wmj h MET 21 Ca -0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1wmj h MET 21 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 1wmj h MET 21 CO -0.32 0.00 -1.80 2.41 1.06 0.00 0.00 176.91 178.26 1wmj n THR 22 N -2.66 0.00 0.77 2.22 -1.04 -0.64 -4.28 114.28 108.65 1wmj n THR 22 Ca -0.01 -0.41 0.01 0.00 -2.04 0.00 0.00 64.05 61.59 1wmj n THR 22 Cb 0.54 0.14 0.05 0.00 -1.82 0.00 0.00 70.33 69.24 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 -2.11 1.48 0.00 -2.82 5.02 0.38 -3.56 118.16 116.55 1wmj n LYS 23 Ca -0.03 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 1wmj n LYS 23 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.07 2.58 -0.02 7.82 0.00 -1.19 -4.35 120.51 125.42 1wmj n ALA 24 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1wmj n ALA 24 Cb 0.36 0.44 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 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 0.17 -0.06 0.00 2.10 -1.75 0.55 116.57 117.58 1wmj h LYS 25 Ca 0.00 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 1wmj h LYS 25 Cb 0.89 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1wmj h LYS 25 CO 0.00 0.25 -0.17 1.05 -2.00 0.00 0.00 179.45 178.58 1wmj h GLU 26 N 0.05 0.22 0.00 0.07 4.11 -1.87 -3.16 114.58 114.00 1wmj h GLU 26 Ca 0.04 -0.16 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 1wmj h GLU 26 Cb 0.14 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1wmj h GLU 26 CO -0.00 0.77 -0.16 0.00 0.07 0.00 0.00 179.01 179.69 1wmj h ALA 27 N 0.45 1.49 -0.42 1.06 0.00 -1.75 -3.46 119.26 116.63 1wmj h ALA 27 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wmj h ALA 27 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wmj h ALA 27 CO 0.04 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1wmj n GLY 28 N -0.86 0.90 3.30 0.00 0.00 0.16 -5.02 105.19 103.68 1wmj n GLY 28 Ca -0.02 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.45 1.20 0.81 1.61 -2.85 0.59 -5.02 119.74 112.63 1wmj s LYS 29 Ca 0.00 -1.46 -0.11 0.00 -1.00 0.00 0.00 55.97 53.40 1wmj s LYS 29 Cb 0.00 -1.00 0.08 0.00 -2.06 0.00 0.00 37.83 34.85 1wmj s LYS 29 CO 0.00 0.17 1.09 0.08 0.10 0.00 0.00 175.35 176.79 1wmj s VAL 30 N -2.76 3.11 0.10 1.79 1.01 -0.64 -4.30 120.40 118.72 1wmj s VAL 30 Ca 0.18 0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.60 1wmj s VAL 30 Cb -0.02 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1wmj s VAL 30 CO 0.05 -0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 173.79 1wmj s VAL 31 N -2.93 2.73 -0.32 2.92 1.01 -1.21 -1.89 120.40 120.71 1wmj s VAL 31 Ca 0.62 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1wmj s VAL 31 Cb -0.17 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.11 1wmj s VAL 31 CO 0.56 0.15 0.24 -0.63 0.00 0.00 0.00 175.10 175.41 1wmj s ILE 32 N -1.09 -0.15 -0.15 2.22 1.09 -1.26 -2.52 121.20 119.35 1wmj s ILE 32 Ca 0.17 -0.98 -0.15 0.00 -1.10 0.00 0.00 60.65 58.58 1wmj s ILE 32 Cb -0.10 -0.96 -0.04 0.00 -1.06 0.00 0.00 42.46 40.29 1wmj s ILE 32 CO 0.08 -0.71 0.34 -0.63 -0.10 0.00 0.00 174.94 173.93 1wmj s ILE 33 N 1.77 5.27 -0.69 2.92 1.09 0.84 -1.17 121.20 131.24 1wmj s ILE 33 Ca 0.13 0.66 -0.11 0.00 -1.10 0.00 0.00 60.65 60.23 1wmj s ILE 33 Cb -0.17 -3.68 0.18 0.00 -1.06 0.00 0.00 42.46 37.72 1wmj s ILE 33 CO -0.20 0.36 0.59 -1.81 -0.10 0.00 0.00 174.94 173.78 1wmj s ASP 34 N 0.55 6.14 0.74 3.58 1.01 0.26 -1.42 116.67 127.52 1wmj s ASP 34 Ca 0.19 -2.52 0.00 0.00 0.71 0.00 0.00 52.55 50.93 1wmj s ASP 34 Cb -0.14 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.71 1wmj s ASP 34 CO 0.06 -0.57 0.00 0.49 0.21 0.00 0.00 175.17 175.36 1wmj n PHE 35 N 4.13 -2.10 0.00 4.23 3.72 0.04 -1.29 117.46 126.18 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 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.18 0.00 -0.03 4.37 5.66 -0.32 -3.98 114.28 117.80 1wmj n THR 36 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 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 0.64 119.26 119.93 1wmj h ALA 37 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wmj h ALA 37 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wmj h ALA 37 CO 0.00 0.09 0.00 0.45 0.00 0.00 0.00 179.25 179.79 1wmj n SER 38 N -3.41 0.00 0.01 0.00 2.88 -1.26 -4.42 113.62 107.41 1wmj n SER 38 Ca -0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.50 1wmj n SER 38 Cb 0.05 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 1wmj n SER 38 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1wmj h TRP 39 N 0.00 -0.13 -0.67 0.66 6.55 -1.97 -3.51 115.95 116.89 1wmj h TRP 39 Ca 0.00 -0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.89 1wmj h TRP 39 Cb 0.00 0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 28.32 1wmj h TRP 39 CO 0.00 -0.04 -0.23 0.00 -1.05 0.00 0.00 178.44 177.12 1wmj n GLY 41 N -2.27 -1.20 0.25 0.00 0.00 -1.26 -4.86 105.19 95.84 1wmj n GLY 41 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.57 0.00 1.61 0.13 -1.92 -3.46 132.00 127.79 1wmj h PRO 42 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1wmj h PRO 42 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1wmj h PRO 42 CO 0.00 -0.38 0.00 0.00 -0.23 0.00 0.00 178.00 177.39 1wmj n ARG 44 N 0.00 0.77 -0.09 0.00 5.12 -1.26 -2.85 116.66 118.35 1wmj n ARG 44 Ca 0.00 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.82 1wmj n ARG 44 Cb 0.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 1wmj n ARG 44 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1wmj h PHE 45 N 0.00 0.87 -0.52 -1.55 3.04 -1.97 -3.19 116.94 113.62 1wmj h PHE 45 Ca -0.54 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.15 1wmj h PHE 45 Cb 2.11 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.44 1wmj h PHE 45 CO 0.01 1.02 0.00 1.51 -2.02 0.00 0.00 178.31 178.83 1wmj n ILE 46 N -4.24 1.14 0.25 1.41 3.06 -1.26 -4.61 119.36 115.11 1wmj n ILE 46 Ca -0.04 -1.06 -0.16 0.00 -2.50 0.00 0.00 62.75 58.99 1wmj n ILE 46 Cb 0.48 0.43 -0.08 0.00 0.54 0.00 0.00 39.64 41.01 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 3.05 -0.71 0.00 1.51 0.00 -1.51 -1.53 119.26 120.07 1wmj h ALA 47 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wmj h ALA 47 Cb 0.93 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wmj h ALA 47 CO 0.03 -0.92 0.00 -0.35 0.00 0.00 0.00 179.25 178.01 1wmj n PRO 48 N -5.43 0.49 -0.13 0.00 -0.04 -1.26 -2.96 135.00 125.67 1wmj n PRO 48 Ca -0.11 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 1wmj n PRO 48 Cb 0.33 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.75 1.53 0.00 0.52 0.31 -0.62 -4.02 118.33 115.29 1wmj n VAL 49 Ca 0.06 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1wmj n VAL 49 Cb 0.03 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 1wmj n VAL 49 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wmj n PHE 50 N -4.13 0.00 -0.27 3.52 3.72 -0.92 -0.31 117.46 119.08 1wmj n PHE 50 Ca -0.52 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 56.92 1wmj n PHE 50 Cb 0.89 -0.39 0.13 0.00 -0.94 0.00 0.00 39.48 39.17 1wmj n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wmj h ALA 51 N -2.00 0.66 -0.29 4.37 0.00 -1.85 0.67 119.26 120.82 1wmj h ALA 51 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1wmj h ALA 51 Cb 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1wmj h ALA 51 CO 0.00 -0.43 0.05 1.05 0.00 0.00 0.00 179.25 179.92 1wmj h GLU 52 N 0.04 0.42 -0.17 0.00 4.11 -1.70 -2.79 114.58 114.50 1wmj h GLU 52 Ca 0.40 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.71 1wmj h GLU 52 Cb 0.67 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wmj h GLU 52 CO -0.75 0.41 -0.13 1.88 0.07 0.00 0.00 179.01 180.49 1wmj h TYR 53 N 0.41 0.46 -0.94 2.06 -1.99 0.33 -2.32 116.97 114.98 1wmj h TYR 53 Ca 0.10 -0.13 0.29 0.00 2.00 0.00 0.00 58.73 60.99 1wmj h TYR 53 Cb 0.20 -0.10 -0.16 0.00 2.00 0.00 0.00 36.73 38.66 1wmj h TYR 53 CO 0.01 0.74 0.24 0.00 -0.00 0.00 0.00 178.16 179.15 1wmj h ALA 54 N 0.65 1.45 0.05 3.88 0.00 -0.62 0.22 119.26 124.89 1wmj h ALA 54 Ca 0.03 0.27 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1wmj h ALA 54 Cb 0.64 0.40 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wmj h ALA 54 CO 0.03 -0.60 -0.80 0.87 0.00 0.00 0.00 179.25 178.76 1wmj h LYS 55 N 0.11 0.45 -0.29 0.00 1.57 -1.58 -3.21 116.57 113.62 1wmj h LYS 55 Ca 0.63 -0.55 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1wmj h LYS 55 Cb 1.39 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 1wmj h LYS 55 CO -0.76 1.20 0.33 0.87 -0.57 0.00 0.00 179.45 180.52 1wmj h LYS 56 N -0.05 0.00 -3.38 3.15 1.57 -0.09 -3.23 116.57 114.53 1wmj h LYS 56 Ca -0.12 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.01 1wmj h LYS 56 Cb 1.53 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.45 1wmj h LYS 56 CO 0.15 0.00 -0.50 -0.06 -0.57 0.00 0.00 179.45 178.48 1wmj s PHE 57 N -4.61 3.36 -1.51 -1.35 0.08 0.14 -4.92 117.98 109.17 1wmj s PHE 57 Ca -0.04 -3.06 0.15 0.00 0.12 0.00 0.00 56.93 54.09 1wmj s PHE 57 Cb 0.15 -2.95 0.77 0.00 -0.57 0.00 0.00 43.02 40.43 1wmj s PHE 57 CO 0.54 -0.74 1.40 -0.35 -0.10 0.00 0.00 175.22 175.97 1wmj n PRO 58 N 2.96 0.25 -0.50 0.24 -0.04 -1.22 -2.69 135.00 134.00 1wmj n PRO 58 Ca 0.10 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 1wmj n PRO 58 Cb 0.35 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.03 2.22 3.38 0.55 0.00 -1.26 -4.90 105.19 105.15 1wmj n GLY 59 Ca 0.08 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.97 0.63 -0.18 4.61 0.00 -1.10 -1.61 121.76 122.14 1wmj s ALA 60 Ca 0.32 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 50.98 1wmj s ALA 60 Cb 0.23 1.25 -0.17 0.00 0.00 0.00 0.00 23.12 24.43 1wmj s ALA 60 CO 0.11 -0.72 -0.05 1.33 0.00 0.00 0.00 175.76 176.43 1wmj n VAL 61 N -0.36 1.15 -1.29 0.00 0.24 -0.79 -4.91 118.33 112.36 1wmj n VAL 61 Ca 0.01 -0.58 0.14 0.00 -2.04 0.00 0.00 64.34 61.87 1wmj n VAL 61 Cb 0.64 -0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.83 -3.20 0.00 6.34 3.01 -1.26 -4.61 117.46 114.91 1wmj n PHE 62 Ca -0.31 1.77 0.00 0.00 1.01 0.00 0.00 57.45 59.92 1wmj n PHE 62 Cb 0.97 -2.91 0.00 0.00 -0.01 0.00 0.00 39.48 37.53 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 -4.13 0.00 -4.27 4.37 7.94 -0.32 -4.09 117.00 116.51 1wmj n LEU 63 Ca -0.08 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.51 1wmj n LEU 63 Cb 0.57 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.35 1wmj n LEU 63 CO 0.03 0.00 -0.56 -1.59 -1.11 0.00 0.00 177.39 174.16 1wmj s LYS 64 N -1.78 2.47 0.29 1.96 -2.85 0.31 0.89 119.74 121.03 1wmj s LYS 64 Ca 0.00 -0.90 0.06 0.00 -1.00 0.00 0.00 55.97 54.13 1wmj s LYS 64 Cb 0.00 -2.13 -0.06 0.00 -2.06 0.00 0.00 37.83 33.59 1wmj s LYS 64 CO 0.00 0.40 -0.04 0.14 0.10 0.00 0.00 175.35 175.95 1wmj s VAL 65 N -0.21 1.55 -0.25 1.79 -7.23 -0.41 -0.53 120.40 115.11 1wmj s VAL 65 Ca -0.02 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1wmj s VAL 65 Cb -0.13 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1wmj s VAL 65 CO 0.03 -0.25 -0.05 -0.62 -0.31 0.00 0.00 175.10 173.89 1wmj s ASP 66 N -3.45 4.33 -0.00 4.85 2.15 -1.26 -3.45 116.67 119.84 1wmj s ASP 66 Ca 0.30 -0.81 -0.00 0.00 0.43 0.00 0.00 52.55 52.47 1wmj s ASP 66 Cb 0.05 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.99 1wmj s ASP 66 CO 0.12 -0.12 1.88 1.33 -0.17 0.00 0.00 175.17 178.21 1wmj n VAL 67 N 4.69 1.89 0.00 1.11 0.24 0.22 -2.93 118.33 123.55 1wmj n VAL 67 Ca -0.17 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1wmj n VAL 67 Cb 0.47 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 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 1.36 2.77 -0.02 -1.34 2.03 -1.26 -4.41 116.55 115.67 1wmj n ASP 68 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.29 1wmj n ASP 68 Cb 0.50 0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 41.36 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 -0.94 2.36 -0.30 -0.67 -0.00 -1.17 -4.74 120.64 115.17 1wmj n GLU 69 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 57.16 57.23 1wmj n GLU 69 Cb 0.06 -1.11 0.08 0.00 -0.00 0.00 0.00 31.44 30.48 1wmj n GLU 69 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1wmj n LEU 70 N -2.31 1.41 -0.26 -1.84 -0.00 -1.15 -4.85 117.00 108.00 1wmj n LEU 70 Ca -0.08 -2.28 0.22 0.00 -0.00 0.00 0.00 56.01 53.87 1wmj n LEU 70 Cb 0.63 -0.25 0.36 0.00 -0.00 0.00 0.00 43.42 44.16 1wmj n LEU 70 CO 0.08 0.55 0.65 2.29 -0.00 0.00 0.00 177.39 180.97 1wmj n LYS 71 N -0.81 -0.02 -0.48 1.47 2.85 -1.24 0.20 118.16 120.14 1wmj n LYS 71 Ca 0.10 0.66 0.37 0.00 -1.05 0.00 0.00 58.31 58.38 1wmj n LYS 71 Cb 0.68 -1.31 0.57 0.00 -0.65 0.00 0.00 35.03 34.32 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 -3.70 -0.01 -0.02 -1.58 0.28 -1.26 0.26 120.64 114.62 1wmj n GLU 72 Ca 0.21 0.81 -0.16 0.00 -0.16 0.00 0.00 57.16 57.86 1wmj n GLU 72 Cb 0.84 -1.80 -0.12 0.00 1.43 0.00 0.00 31.44 31.79 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 1.53 -0.22 3.84 2.07 -0.65 -3.21 116.25 119.61 1wmj h VAL 73 Ca 0.67 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1wmj h VAL 73 Cb 2.59 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 35.14 1wmj h VAL 73 CO -0.08 0.57 -0.11 0.00 0.02 0.00 0.00 177.57 177.97 1wmj h ALA 74 N 0.24 1.42 0.00 1.67 0.00 0.33 -2.02 119.26 120.90 1wmj h ALA 74 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1wmj h ALA 74 Cb 1.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wmj h ALA 74 CO 0.07 0.41 -0.11 0.93 0.00 0.00 0.00 179.25 180.54 1wmj h GLU 75 N 0.33 0.00 0.02 0.00 5.08 -1.09 0.76 114.58 119.67 1wmj h GLU 75 Ca 0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1wmj h GLU 75 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1wmj h GLU 75 CO 0.02 0.11 -0.93 1.57 -1.00 0.00 0.00 179.01 178.79 1wmj h LYS 76 N 0.00 0.10 0.00 2.33 2.10 -1.37 -3.26 116.57 116.48 1wmj h LYS 76 Ca -0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1wmj h LYS 76 Cb 0.34 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1wmj h LYS 76 CO 0.01 0.95 -1.36 0.66 -2.00 0.00 0.00 179.45 177.72 1wmj n TYR 77 N -3.55 0.07 -2.33 0.07 4.01 -0.82 -5.03 117.16 109.58 1wmj n TYR 77 Ca -0.02 0.02 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1wmj n TYR 77 Cb 0.85 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 -1.89 -5.04 -0.09 7.72 4.05 0.26 -5.00 115.26 115.27 1wmj n ASN 78 Ca 0.01 -0.06 -0.09 0.00 0.45 0.00 0.00 54.58 54.89 1wmj n ASN 78 Cb 0.44 -3.27 -0.16 0.00 1.23 0.00 0.00 39.78 38.02 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 -1.47 1.34 0.00 3.44 0.24 -0.98 -5.03 118.33 115.88 1wmj n VAL 79 Ca -0.00 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1wmj n VAL 79 Cb 0.50 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.76 0.00 0.00 7.34 -0.58 -1.26 -4.24 120.64 119.14 1wmj n GLU 80 Ca -0.30 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1wmj n GLU 80 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.98 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 0.00 -2.52 0.62 0.00 -1.26 -5.04 120.51 112.30 1wmj n ALA 81 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1wmj n ALA 81 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 1.39 0.00 0.00 -1.94 -1.26 -3.88 119.30 113.61 1wmj s MET 82 Ca 0.00 -1.57 0.00 0.00 -1.71 0.00 0.00 55.69 52.41 1wmj s MET 82 Cb 0.00 0.34 0.00 0.00 2.01 0.00 0.00 34.83 37.18 1wmj s MET 82 CO 0.00 -0.51 0.31 -0.35 -0.01 0.00 0.00 175.02 174.46 1wmj n PRO 83 N -0.35 0.49 -1.58 2.03 -0.04 -1.26 -1.18 135.00 133.12 1wmj n PRO 83 Ca 0.01 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.91 1wmj n PRO 83 Cb 0.64 -1.25 -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 0.39 0.03 -0.91 0.52 -1.04 -1.26 0.15 114.28 112.15 1wmj n THR 84 Ca 0.00 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.84 1wmj n THR 84 Cb 0.15 -0.49 0.02 0.00 -1.82 0.00 0.00 70.33 68.20 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 2.49 1.40 -0.85 -1.42 3.72 -1.25 -0.78 117.46 120.76 1wmj n PHE 85 Ca 0.21 -1.89 -0.29 0.00 -0.05 0.00 0.00 57.45 55.44 1wmj n PHE 85 Cb 0.12 -0.97 -0.01 0.00 -0.94 0.00 0.00 39.48 37.68 1wmj n PHE 85 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1wmj n LEU 86 N 0.51 -1.12 -4.41 4.37 -0.00 -0.51 -4.15 117.00 111.69 1wmj n LEU 86 Ca 0.29 0.64 -0.28 0.00 -0.00 0.00 0.00 56.01 56.67 1wmj n LEU 86 Cb 0.57 -0.58 -0.12 0.00 -0.00 0.00 0.00 43.42 43.29 1wmj n LEU 86 CO 0.34 -2.13 -0.54 -0.36 -0.00 0.00 0.00 177.39 174.70 1wmj s PHE 87 N -0.77 2.30 -0.44 1.96 0.40 0.54 -0.11 117.98 121.87 1wmj s PHE 87 Ca 0.39 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1wmj s PHE 87 Cb -0.52 -1.18 0.19 0.00 0.51 0.00 0.00 43.02 42.02 1wmj s PHE 87 CO 0.36 0.44 0.41 -0.89 0.70 0.00 0.00 175.22 176.25 1wmj n ILE 88 N 0.49 -0.75 -2.61 0.64 2.08 -1.05 -2.35 119.36 115.81 1wmj n ILE 88 Ca -0.14 -3.74 -0.43 0.00 0.56 0.00 0.00 62.75 59.00 1wmj n ILE 88 Cb 0.55 -1.78 -0.02 0.00 -0.75 0.00 0.00 39.64 37.63 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 -0.44 4.35 0.00 0.38 2.20 -1.26 -3.05 119.74 121.92 1wmj s LYS 89 Ca 0.33 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1wmj s LYS 89 Cb 0.07 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1wmj s LYS 89 CO -0.17 -0.45 0.00 -3.47 -0.36 0.00 0.00 175.35 170.90 1wmj n ASP 90 N 5.48 0.00 0.00 1.43 -0.08 -1.26 -3.66 116.55 118.46 1wmj n ASP 90 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1wmj n ASP 90 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 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 0.81 0.00 0.27 0.00 -1.17 -4.74 105.19 98.36 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 0.74 -3.15 4.61 0.00 -1.24 -5.11 120.51 116.36 1wmj n ALA 92 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 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 0.12 -0.07 0.00 2.12 -1.26 -4.71 118.70 114.90 1wmj s GLU 93 Ca 0.00 0.19 0.08 0.00 0.36 0.00 0.00 54.97 55.60 1wmj s GLU 93 Cb 0.00 0.10 -0.24 0.00 0.26 0.00 0.00 34.13 34.25 1wmj s GLU 93 CO 0.00 -0.16 0.55 0.00 -0.54 0.00 0.00 175.26 175.11 1wmj n ALA 94 N 5.37 1.35 0.00 6.30 0.00 -0.99 -4.79 120.51 127.75 1wmj n ALA 94 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1wmj n ALA 94 Cb 0.55 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1wmj n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wmj n ASP 95 N -3.14 0.00 -4.10 0.00 8.00 -1.25 -5.00 116.55 111.06 1wmj n ASP 95 Ca -0.22 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.08 1wmj n ASP 95 Cb 1.06 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 42.06 1wmj n ASP 95 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1wmj s LYS 96 N -1.94 1.68 0.00 -1.24 0.00 -1.26 0.20 119.74 117.18 1wmj s LYS 96 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 55.97 54.00 1wmj s LYS 96 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 37.83 37.49 1wmj s LYS 96 CO 0.00 -0.41 0.00 0.28 0.00 0.00 0.00 175.35 175.22 1wmj n VAL 97 N -0.67 0.00 0.00 1.79 0.31 -1.26 -4.89 118.33 113.61 1wmj n VAL 97 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1wmj n VAL 97 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.81 2.52 0.31 -1.26 -4.36 118.33 114.73 1wmj n VAL 98 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1wmj n VAL 98 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.39 3.17 0.23 2.92 0.00 0.40 -3.26 105.19 108.25 1wmj n GLY 99 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.42 1.46 -4.01 4.61 0.00 -1.26 -4.61 120.51 118.12 1wmj n ALA 100 Ca 0.22 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1wmj n ALA 100 Cb 0.62 -0.09 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 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 2.04 0.00 0.00 3.00 -1.20 -4.93 118.95 117.86 1wmj s ARG 101 Ca 0.00 -0.98 0.19 0.00 0.00 0.00 0.00 55.73 54.94 1wmj s ARG 101 Cb 0.00 -2.56 0.86 0.00 0.00 0.00 0.00 34.95 33.25 1wmj s ARG 101 CO 0.00 -0.48 1.59 1.17 0.00 0.00 0.00 175.30 177.58 1wmj n LYS 102 N 4.63 1.41 0.00 3.54 0.00 -1.26 -2.54 118.16 123.94 1wmj n LYS 102 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 58.31 57.55 1wmj n LYS 102 Cb 0.45 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.15 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 -0.15 0.15 -0.00 3.14 2.03 -1.26 -4.69 116.55 115.76 1wmj n ASP 103 Ca 0.15 -0.49 0.06 0.00 0.52 0.00 0.00 54.79 55.03 1wmj n ASP 103 Cb 0.21 0.56 -0.09 0.00 -0.72 0.00 0.00 41.12 41.07 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 -0.56 1.95 0.00 1.67 -0.08 -1.22 -4.39 116.55 113.93 1wmj n ASP 104 Ca 0.00 -0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1wmj n ASP 104 Cb 0.02 1.47 0.00 0.00 2.34 0.00 0.00 41.12 44.95 1wmj n ASP 104 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1wmj n LEU 105 N -1.83 1.58 0.32 -2.67 7.94 -1.05 -2.92 117.00 118.37 1wmj n LEU 105 Ca -0.02 0.23 0.09 0.00 -1.11 0.00 0.00 56.01 55.20 1wmj n LEU 105 Cb 0.30 -0.23 0.46 0.00 0.53 0.00 0.00 43.42 44.48 1wmj n LEU 105 CO 0.25 -0.23 1.05 0.06 -1.11 0.00 0.00 177.39 177.41 1wmj h GLN 106 N 0.00 0.00 0.10 1.96 -0.00 -1.83 1.02 115.11 116.36 1wmj h GLN 106 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.39 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 -1.18 -0.97 -0.00 0.00 0.00 178.83 176.68 1wmj h ASN 107 N 0.00 0.39 0.39 0.06 -1.24 -1.77 -3.13 115.58 110.29 1wmj h ASN 107 Ca 0.00 -0.41 -0.32 0.00 0.71 0.00 0.00 56.30 56.29 1wmj h ASN 107 Cb 1.19 -0.13 0.02 0.00 0.73 0.00 0.00 38.32 40.13 1wmj h ASN 107 CO 0.00 1.30 -1.42 0.74 -1.29 0.00 0.00 177.43 176.76 1wmj h THR 108 N 0.08 1.33 0.00 -3.57 2.02 0.12 -3.19 112.91 109.70 1wmj h THR 108 Ca -0.12 -2.82 -0.02 0.00 0.77 0.00 0.00 66.41 64.22 1wmj h THR 108 Cb 1.90 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 71.29 1wmj h THR 108 CO 0.19 0.84 -0.10 0.40 0.37 0.00 0.00 175.52 177.22 1wmj h ILE 109 N 0.12 0.70 0.01 3.11 5.03 -1.37 -1.42 117.51 123.69 1wmj h ILE 109 Ca -0.22 -0.42 -0.21 0.00 -0.12 0.00 0.00 64.86 63.89 1wmj h ILE 109 Cb 2.10 1.26 -0.03 0.00 -3.03 0.00 0.00 36.82 37.12 1wmj h ILE 109 CO 0.24 0.10 -0.98 -0.37 -0.68 0.00 0.00 178.15 176.47 1wmj h VAL 110 N 0.00 1.67 0.00 1.67 -1.51 -1.59 1.10 116.25 117.59 1wmj h VAL 110 Ca -0.00 -3.25 -0.16 0.00 -1.23 0.00 0.00 66.70 62.05 1wmj h VAL 110 Cb 0.25 2.78 -0.02 0.00 -2.13 0.00 0.00 31.29 32.16 1wmj h VAL 110 CO 0.01 0.93 -0.78 0.07 -1.23 0.00 0.00 177.57 176.57 1wmj h LYS 111 N 0.01 0.00 0.00 5.19 2.10 -1.34 0.35 116.57 122.88 1wmj h LYS 111 Ca -0.02 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.22 1wmj h LYS 111 Cb 1.71 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.98 1wmj h LYS 111 CO 0.13 0.78 -2.42 0.72 -2.00 0.00 0.00 179.45 176.66 1wmj n HIS 112 N -3.35 0.00 -0.06 0.07 8.25 -0.61 -4.07 115.22 115.45 1wmj n HIS 112 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1wmj n HIS 112 Cb 0.83 -0.92 -0.15 0.00 1.12 0.00 0.00 29.99 30.87 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 -3.89 1.52 0.40 1.59 0.31 0.35 -4.17 118.33 114.44 1wmj n VAL 113 Ca -0.49 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.16 1wmj n VAL 113 Cb 0.89 -0.85 0.28 0.00 -0.91 0.00 0.00 33.84 33.25 1wmj n VAL 113 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wmj h GLY 114 N 3.55 0.00 -0.72 2.92 0.00 0.17 -3.45 103.07 105.55 1wmj h GLY 114 Ca -0.41 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 1wmj h GLY 114 CO 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.46 1wmj n ALA 115 N -1.96 -0.11 -2.71 3.60 0.00 0.10 -4.67 120.51 114.76 1wmj n ALA 115 Ca 0.05 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1wmj n ALA 115 Cb 0.48 -1.19 0.11 0.00 0.00 0.00 0.00 19.45 18.84 1wmj n ALA 115 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wmj n THR 116 N -1.60 0.04 -0.79 0.00 -2.24 -0.83 -5.02 114.28 103.84 1wmj n THR 116 Ca -0.07 -1.62 -0.25 0.00 -2.27 0.00 0.00 64.05 59.83 1wmj n THR 116 Cb 0.38 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wmj n ALA 117 N -0.31 -2.39 -0.01 6.98 0.00 -1.10 -4.83 120.51 118.85 1wmj n ALA 117 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wmj n ALA 117 Cb 0.81 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.35 1wmj n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj h ALA 118 N 0.15 0.00 0.00 0.00 0.00 -1.88 -3.38 119.26 114.15 1wmj h ALA 118 Ca -0.23 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1wmj h ALA 118 Cb 0.89 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1wmj h ALA 118 CO 0.28 0.01 -1.08 1.03 0.00 0.00 0.00 179.25 179.50 1wmj h SER 119 N -0.24 0.00 -0.83 0.00 0.87 -1.91 -3.39 113.55 108.04 1wmj h SER 119 Ca 0.00 -0.53 0.08 0.00 -1.23 0.00 0.00 61.79 60.10 1wmj h SER 119 Cb 0.01 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.87 1wmj h SER 119 CO 0.00 1.40 -0.49 0.00 -0.53 0.00 0.00 176.83 177.20 1wmj n ALA 120 N -3.34 -0.53 -3.08 6.23 0.00 -1.26 -4.83 120.51 113.70 1wmj n ALA 120 Ca -0.28 0.71 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 1wmj n ALA 120 Cb 0.63 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 20.05 1wmj n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj n SER 121 N -4.95 -4.53 0.00 0.00 2.88 -1.26 -5.09 113.62 100.68 1wmj n SER 121 Ca 0.02 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1wmj n SER 121 Cb 0.22 -3.15 0.00 0.00 -0.75 0.00 0.00 64.21 60.53 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81