#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmj h ALA 2 N 0.00 0.53 -5.57 -5.12 0.00 -2.09 -3.47 119.26 103.54 1wmj h ALA 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1wmj h ALA 2 Cb 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 1wmj h ALA 2 CO 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 179.25 178.71 1wmj n ALA 3 N -2.00 -0.78 -2.67 0.00 0.00 -1.26 -2.36 120.51 111.44 1wmj n ALA 3 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1wmj n ALA 3 Cb 0.49 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.73 -3.72 0.00 0.00 2.13 -1.26 -5.06 120.64 110.01 1wmj n GLU 4 Ca 0.07 2.93 0.00 0.00 0.66 0.00 0.00 57.16 60.82 1wmj n GLU 4 Cb 0.30 -5.25 0.00 0.00 0.27 0.00 0.00 31.44 26.75 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 0.92 2.72 -0.35 5.31 -0.58 -1.00 -4.93 120.64 122.74 1wmj n GLU 5 Ca -0.10 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.58 1wmj n GLU 5 Cb 0.15 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.07 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 2.70 3.88 0.62 0.00 -1.26 -4.84 105.19 111.29 1wmj n GLY 6 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.88 1.76 -0.82 1.61 -7.23 -1.26 -3.81 120.40 109.78 1wmj s VAL 7 Ca 0.15 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 1wmj s VAL 7 Cb 0.12 -2.27 -0.19 0.00 0.56 0.00 0.00 36.38 34.60 1wmj s VAL 7 CO 0.03 0.00 2.45 1.33 -0.31 0.00 0.00 175.10 178.59 1wmj n VAL 8 N -1.69 -0.02 -0.92 1.32 0.24 -1.24 -4.83 118.33 111.17 1wmj n VAL 8 Ca -0.02 -0.43 -0.37 0.00 -2.04 0.00 0.00 64.34 61.48 1wmj n VAL 8 Cb 0.64 -1.33 0.06 0.00 -1.47 0.00 0.00 33.84 31.75 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 7.46 0.00 -3.17 1.34 2.08 -1.25 -4.43 119.36 121.40 1wmj n ILE 9 Ca 0.55 -0.16 -0.21 0.00 0.56 0.00 0.00 62.75 63.49 1wmj n ILE 9 Cb 0.28 -0.15 -0.04 0.00 -0.75 0.00 0.00 39.64 38.97 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 -3.52 2.54 -0.76 -1.39 0.00 -1.25 0.15 120.51 116.28 1wmj n ALA 10 Ca -0.01 -3.63 -0.33 0.00 0.00 0.00 0.00 53.44 49.47 1wmj n ALA 10 Cb 0.69 -0.88 0.14 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.82 -0.64 -1.29 0.00 1.44 -1.26 -4.17 115.22 105.48 1wmj n HIS 12 Ca 0.06 -0.63 -0.00 0.00 -2.01 0.00 0.00 57.72 55.13 1wmj n HIS 12 Cb 0.55 0.79 -0.00 0.00 0.12 0.00 0.00 29.99 31.45 1wmj n HIS 12 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1wmj n ASN 13 N -0.48 -0.03 0.00 4.39 2.04 -1.26 -4.91 115.26 115.01 1wmj n ASN 13 Ca -0.11 -0.09 0.00 0.00 -0.44 0.00 0.00 54.58 53.94 1wmj n ASN 13 Cb 0.61 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.87 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1wmj n LYS 14 N 0.00 0.00 -0.23 -3.83 4.81 -1.26 -4.34 118.16 113.31 1wmj n LYS 14 Ca -0.01 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.64 1wmj n LYS 14 Cb 0.15 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.56 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 1.14 0.14 0.05 3.14 2.03 -1.26 0.31 116.55 122.10 1wmj n ASP 15 Ca 0.00 0.82 -0.22 0.00 0.52 0.00 0.00 54.79 55.91 1wmj n ASP 15 Cb 0.00 -0.40 -0.15 0.00 -0.72 0.00 0.00 41.12 39.85 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 0.34 -0.71 -0.67 5.08 -1.98 -3.23 114.58 113.41 1wmj h GLU 16 Ca 0.48 -0.58 0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1wmj h GLU 16 Cb 1.45 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.83 1wmj h GLU 16 CO -0.32 1.28 0.26 0.35 -1.00 0.00 0.00 179.01 179.58 1wmj h PHE 17 N -0.15 0.44 -0.65 4.33 3.04 0.45 -0.54 116.94 123.86 1wmj h PHE 17 Ca -0.27 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.64 1wmj h PHE 17 Cb 1.88 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 40.27 1wmj h PHE 17 CO 0.14 0.06 0.11 -0.44 -2.02 0.00 0.00 178.31 176.16 1wmj h ASP 18 N 0.41 1.02 -0.23 0.41 5.19 -1.33 -2.31 116.42 119.59 1wmj h ASP 18 Ca 0.38 -0.24 0.07 0.00 -0.62 0.00 0.00 57.03 56.62 1wmj h ASP 18 Cb 0.56 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1wmj h ASP 18 CO -0.39 1.01 0.79 0.00 -3.12 0.00 0.00 179.24 177.53 1wmj h ALA 19 N 1.11 1.99 0.00 3.45 0.00 -1.10 0.34 119.26 125.05 1wmj h ALA 19 Ca 0.20 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1wmj h ALA 19 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wmj h ALA 19 CO 0.01 -0.90 -1.37 1.04 0.00 0.00 0.00 179.25 178.03 1wmj n GLN 20 N -2.87 0.40 0.04 0.00 3.00 -0.97 -3.98 117.38 113.00 1wmj n GLN 20 Ca 0.04 0.17 0.20 0.00 -0.01 0.00 0.00 57.00 57.41 1wmj n GLN 20 Cb 0.87 -1.19 0.58 0.00 0.00 0.00 0.00 30.24 30.50 1wmj n GLN 20 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1wmj h MET 21 N -0.72 0.00 0.00 -1.09 4.05 -0.83 1.26 114.93 117.60 1wmj h MET 21 Ca -0.24 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.00 1wmj h MET 21 Cb 1.06 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.83 1wmj h MET 21 CO -0.14 0.00 -1.47 2.41 0.23 0.00 0.00 176.91 177.94 1wmj n THR 22 N -3.31 1.20 0.79 -0.77 -1.04 0.04 -3.89 114.28 107.30 1wmj n THR 22 Ca 0.11 -0.70 0.01 0.00 -2.04 0.00 0.00 64.05 61.43 1wmj n THR 22 Cb 0.94 -0.74 0.06 0.00 -1.82 0.00 0.00 70.33 68.76 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 -2.88 1.55 -0.00 -2.82 5.02 0.43 -3.59 118.16 115.87 1wmj n LYS 23 Ca -0.11 -0.45 -0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1wmj n LYS 23 Cb 0.86 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 2.72 -0.01 7.82 0.00 -1.13 -4.26 120.51 125.72 1wmj n ALA 24 Ca 0.04 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1wmj n ALA 24 Cb 0.37 0.50 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 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 0.15 -0.06 0.00 2.10 -1.69 0.34 116.57 117.41 1wmj h LYS 25 Ca -0.00 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1wmj h LYS 25 Cb 1.00 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 32.31 1wmj h LYS 25 CO -0.00 0.20 -0.38 1.05 -2.00 0.00 0.00 179.45 178.31 1wmj h GLU 26 N 0.06 0.36 0.00 0.07 4.11 -1.87 -3.18 114.58 114.13 1wmj h GLU 26 Ca 0.04 -0.31 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 1wmj h GLU 26 Cb 0.09 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1wmj h GLU 26 CO -0.01 0.96 -0.09 0.00 0.07 0.00 0.00 179.01 179.95 1wmj h ALA 27 N 0.40 1.67 -0.21 1.06 0.00 -1.73 -3.46 119.26 116.99 1wmj h ALA 27 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wmj h ALA 27 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wmj h ALA 27 CO 0.08 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1wmj n GLY 28 N -1.15 0.94 3.46 0.00 0.00 0.93 -5.02 105.19 104.36 1wmj n GLY 28 Ca -0.03 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.08 1.63 0.61 1.61 -2.85 0.22 -5.03 119.74 112.86 1wmj s LYS 29 Ca 0.00 -1.86 -0.12 0.00 -1.00 0.00 0.00 55.97 52.99 1wmj s LYS 29 Cb 0.00 -1.17 -0.04 0.00 -2.06 0.00 0.00 37.83 34.56 1wmj s LYS 29 CO 0.00 -0.02 1.03 0.08 0.10 0.00 0.00 175.35 176.54 1wmj s VAL 30 N -3.03 4.63 0.07 1.79 1.01 -0.61 -4.33 120.40 119.93 1wmj s VAL 30 Ca 0.32 0.90 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1wmj s VAL 30 Cb 0.06 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1wmj s VAL 30 CO 0.14 -1.07 -0.09 -0.69 0.00 0.00 0.00 175.10 173.38 1wmj s VAL 31 N -3.11 3.41 -0.32 2.92 1.01 -1.19 -2.10 120.40 121.03 1wmj s VAL 31 Ca 0.56 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1wmj s VAL 31 Cb -0.11 -2.56 0.13 0.00 0.00 0.00 0.00 36.38 33.84 1wmj s VAL 31 CO 0.52 0.21 0.21 -0.63 0.00 0.00 0.00 175.10 175.40 1wmj s ILE 32 N -1.14 -0.09 -0.23 2.22 1.09 -1.26 -2.37 121.20 119.42 1wmj s ILE 32 Ca 0.20 -1.07 -0.14 0.00 -1.10 0.00 0.00 60.65 58.54 1wmj s ILE 32 Cb -0.11 -0.99 -0.04 0.00 -1.06 0.00 0.00 42.46 40.26 1wmj s ILE 32 CO 0.12 -0.76 0.33 -0.63 -0.10 0.00 0.00 174.94 173.90 1wmj s ILE 33 N 1.71 5.23 -0.67 2.92 1.09 0.12 -1.15 121.20 130.45 1wmj s ILE 33 Ca 0.13 0.54 -0.15 0.00 -1.10 0.00 0.00 60.65 60.08 1wmj s ILE 33 Cb -0.18 -3.67 0.17 0.00 -1.06 0.00 0.00 42.46 37.73 1wmj s ILE 33 CO -0.19 0.25 0.62 -1.81 -0.10 0.00 0.00 174.94 173.70 1wmj s ASP 34 N 1.21 6.42 1.01 3.58 1.01 0.18 -0.99 116.67 129.08 1wmj s ASP 34 Ca 0.15 -2.23 -0.00 0.00 0.71 0.00 0.00 52.55 51.18 1wmj s ASP 34 Cb -0.15 -2.20 0.01 0.00 1.01 0.00 0.00 42.92 41.59 1wmj s ASP 34 CO 0.08 -0.71 0.02 0.49 0.21 0.00 0.00 175.17 175.25 1wmj n PHE 35 N 4.62 -2.83 0.00 4.23 3.72 0.48 -1.72 117.46 125.95 1wmj n PHE 35 Ca -0.01 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1wmj n PHE 35 Cb 0.43 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.64 0.00 0.00 4.37 5.66 -0.36 -3.91 114.28 117.41 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 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1wmj n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmj n ALA 37 N -0.71 0.00 -0.01 1.79 0.00 -1.26 -2.06 120.51 118.25 1wmj n ALA 37 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wmj n ALA 37 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1wmj n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj n SER 38 N 0.00 4.18 -0.49 0.00 2.88 -1.19 -4.78 113.62 114.22 1wmj n SER 38 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wmj n SER 38 Cb 0.00 0.78 -0.00 0.00 -0.75 0.00 0.00 64.21 64.24 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 -1.95 0.00 -2.17 0.66 2.14 -1.26 -5.08 117.44 109.78 1wmj n TRP 39 Ca -0.04 -0.01 -0.01 0.00 2.07 0.00 0.00 57.50 59.51 1wmj n TRP 39 Cb 0.43 0.25 -0.01 0.00 -0.81 0.00 0.00 31.31 31.18 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 0.56 -3.15 0.11 0.00 0.00 -1.26 -4.90 105.19 96.56 1wmj n GLY 41 Ca -0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.24 0.26 -5.25 1.61 0.13 -1.93 -3.46 132.00 122.13 1wmj h PRO 42 Ca -0.43 -0.13 -0.23 0.00 -0.87 0.00 0.00 66.00 64.34 1wmj h PRO 42 Cb 1.37 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.36 1wmj h PRO 42 CO 0.25 0.67 -0.33 0.00 -0.23 0.00 0.00 178.00 178.36 1wmj n ARG 44 N -2.66 0.00 0.02 0.00 1.74 -1.26 -4.41 116.66 110.09 1wmj n ARG 44 Ca 0.04 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 1wmj n ARG 44 Cb 0.40 -0.23 -0.11 0.00 -1.02 0.00 0.00 32.46 31.49 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 0.74 -0.55 -1.55 3.04 -2.01 -3.30 116.94 113.31 1wmj h PHE 45 Ca 0.00 -0.42 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1wmj h PHE 45 Cb 0.37 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1wmj h PHE 45 CO 0.00 1.25 0.00 1.51 -2.02 0.00 0.00 178.31 179.05 1wmj n ILE 46 N -4.09 0.97 0.18 1.41 3.06 -1.26 -4.60 119.36 115.04 1wmj n ILE 46 Ca -0.11 -0.99 -0.14 0.00 -2.50 0.00 0.00 62.75 59.01 1wmj n ILE 46 Cb 0.76 0.53 -0.07 0.00 0.54 0.00 0.00 39.64 41.40 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 3.30 -0.60 0.00 1.51 0.00 -1.77 -1.05 119.26 120.65 1wmj h ALA 47 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wmj h ALA 47 Cb 0.87 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wmj h ALA 47 CO 0.00 -0.87 0.00 -0.35 0.00 0.00 0.00 179.25 178.03 1wmj n PRO 48 N -5.41 0.49 -0.13 0.00 -0.04 -1.26 -2.94 135.00 125.70 1wmj n PRO 48 Ca -0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1wmj n PRO 48 Cb 0.32 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.78 1.53 0.00 0.52 0.31 -0.45 -4.04 118.33 115.42 1wmj n VAL 49 Ca 0.07 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1wmj n VAL 49 Cb 0.03 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 -4.07 0.00 -0.27 3.52 3.72 -0.87 -0.50 117.46 118.99 1wmj n PHE 50 Ca -0.52 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 56.91 1wmj n PHE 50 Cb 0.90 -0.41 0.12 0.00 -0.94 0.00 0.00 39.48 39.15 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 0.60 -0.19 4.37 0.00 -1.85 0.76 119.26 120.95 1wmj h ALA 51 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1wmj h ALA 51 Cb 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wmj h ALA 51 CO 0.00 -0.42 -0.01 1.05 0.00 0.00 0.00 179.25 179.87 1wmj h GLU 52 N 0.02 0.28 -0.15 0.00 4.11 -1.70 -2.74 114.58 114.41 1wmj h GLU 52 Ca 0.39 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 59.68 1wmj h GLU 52 Cb 0.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wmj h GLU 52 CO -0.77 0.31 -0.29 1.88 0.07 0.00 0.00 179.01 180.21 1wmj h TYR 53 N 0.28 0.57 -0.96 2.06 -1.99 0.31 -2.65 116.97 114.59 1wmj h TYR 53 Ca 0.07 -0.21 0.31 0.00 2.00 0.00 0.00 58.73 60.90 1wmj h TYR 53 Cb 0.20 -0.11 -0.17 0.00 2.00 0.00 0.00 36.73 38.66 1wmj h TYR 53 CO 0.00 0.91 0.30 0.00 -0.00 0.00 0.00 178.16 179.38 1wmj h ALA 54 N 0.56 1.58 0.13 3.88 0.00 -0.45 0.38 119.26 125.34 1wmj h ALA 54 Ca 0.01 0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 1wmj h ALA 54 Cb 0.88 0.39 0.03 0.00 0.00 0.00 0.00 17.79 19.09 1wmj h ALA 54 CO 0.06 -0.65 -1.21 0.87 0.00 0.00 0.00 179.25 178.33 1wmj h LYS 55 N 0.10 0.58 -0.32 0.00 1.57 -1.59 -3.24 116.57 113.68 1wmj h LYS 55 Ca 0.67 -0.80 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1wmj h LYS 55 Cb 1.54 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 1wmj h LYS 55 CO -0.76 1.36 0.26 0.87 -0.57 0.00 0.00 179.45 180.61 1wmj h LYS 56 N 0.18 0.00 -3.48 3.15 1.57 0.01 -3.28 116.57 114.73 1wmj h LYS 56 Ca -0.19 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.91 1wmj h LYS 56 Cb 1.89 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.83 1wmj h LYS 56 CO 0.23 0.00 -0.44 -0.06 -0.57 0.00 0.00 179.45 178.61 1wmj s PHE 57 N -4.88 3.35 -0.90 -1.35 0.08 0.15 -4.91 117.98 109.51 1wmj s PHE 57 Ca -0.05 -2.90 0.16 0.00 0.12 0.00 0.00 56.93 54.27 1wmj s PHE 57 Cb 0.18 -3.07 0.68 0.00 -0.57 0.00 0.00 43.02 40.23 1wmj s PHE 57 CO 0.65 -0.80 1.50 -0.35 -0.10 0.00 0.00 175.22 176.13 1wmj n PRO 58 N 3.27 0.04 -0.21 0.24 -0.04 -1.24 -2.80 135.00 134.26 1wmj n PRO 58 Ca 0.08 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1wmj n PRO 58 Cb 0.36 -1.57 0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.04 1.76 3.40 0.55 0.00 -1.26 -4.85 105.19 104.75 1wmj n GLY 59 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.44 -0.09 -0.21 4.61 0.00 -1.12 -1.57 121.76 121.94 1wmj s ALA 60 Ca 0.13 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1wmj s ALA 60 Cb 0.10 0.93 -0.21 0.00 0.00 0.00 0.00 23.12 23.94 1wmj s ALA 60 CO 0.04 -0.70 0.00 1.33 0.00 0.00 0.00 175.76 176.43 1wmj n VAL 61 N -0.26 1.56 -1.64 0.00 0.24 -0.89 -4.93 118.33 112.41 1wmj n VAL 61 Ca -0.06 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1wmj n VAL 61 Cb 0.63 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 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 -3.26 -4.40 0.00 6.34 3.01 -1.26 -4.68 117.46 113.22 1wmj n PHE 62 Ca -0.39 2.37 0.00 0.00 1.01 0.00 0.00 57.45 60.43 1wmj n PHE 62 Cb 1.03 -3.60 0.00 0.00 -0.01 0.00 0.00 39.48 36.90 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 -2.01 0.00 -4.25 4.37 7.94 -0.30 -3.74 117.00 119.02 1wmj n LEU 63 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1wmj n LEU 63 Cb 0.31 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.09 1wmj n LEU 63 CO 0.00 0.00 -0.56 -0.75 -1.11 0.00 0.00 177.39 174.97 1wmj s LYS 64 N -1.69 2.59 0.14 1.96 2.20 0.39 0.47 119.74 125.81 1wmj s LYS 64 Ca 0.00 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1wmj s LYS 64 Cb 0.00 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1wmj s LYS 64 CO 0.00 0.33 -0.03 0.14 -0.36 0.00 0.00 175.35 175.43 1wmj s VAL 65 N -0.04 0.69 -0.18 4.02 -7.23 -0.70 0.17 120.40 117.13 1wmj s VAL 65 Ca -0.07 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1wmj s VAL 65 Cb -0.14 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 1wmj s VAL 65 CO 0.05 -0.65 0.01 -0.62 -0.31 0.00 0.00 175.10 173.58 1wmj s ASP 66 N -3.12 5.08 -0.10 4.85 2.15 -1.26 -3.17 116.67 121.11 1wmj s ASP 66 Ca 0.19 -0.09 0.01 0.00 0.43 0.00 0.00 52.55 53.09 1wmj s ASP 66 Cb 0.06 -1.86 0.14 0.00 -0.30 0.00 0.00 42.92 40.96 1wmj s ASP 66 CO 0.00 0.13 1.19 1.33 -0.17 0.00 0.00 175.17 177.66 1wmj n VAL 67 N 3.81 1.46 0.00 1.11 0.24 -0.88 -3.01 118.33 121.07 1wmj n VAL 67 Ca -0.17 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1wmj n VAL 67 Cb 0.52 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 0.15 4.71 -0.05 -1.34 2.03 -1.26 -4.18 116.55 116.62 1wmj n ASP 68 Ca 0.13 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.38 1wmj n ASP 68 Cb 0.75 0.92 -0.06 0.00 -0.72 0.00 0.00 41.12 42.01 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 -1.43 1.41 -0.52 -0.67 0.28 -1.21 -4.71 120.64 113.79 1wmj n GLU 69 Ca 0.00 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.09 1wmj n GLU 69 Cb 0.02 -1.21 0.11 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.57 1.74 -0.31 -1.84 -0.00 -1.16 -4.85 117.00 108.00 1wmj n LEU 70 Ca -0.16 -2.69 0.26 0.00 -0.00 0.00 0.00 56.01 53.41 1wmj n LEU 70 Cb 0.73 -0.30 0.42 0.00 -0.00 0.00 0.00 43.42 44.28 1wmj n LEU 70 CO 0.14 0.76 0.77 2.29 -0.00 0.00 0.00 177.39 181.35 1wmj n LYS 71 N -0.76 -0.02 -0.51 1.47 2.85 -1.25 0.24 118.16 120.18 1wmj n LYS 71 Ca 0.12 0.75 0.40 0.00 -1.05 0.00 0.00 58.31 58.52 1wmj n LYS 71 Cb 0.74 -1.51 0.61 0.00 -0.65 0.00 0.00 35.03 34.23 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 -3.79 0.00 0.03 -1.58 0.28 -1.26 0.25 120.64 114.57 1wmj n GLU 72 Ca 0.25 0.85 -0.21 0.00 -0.16 0.00 0.00 57.16 57.89 1wmj n GLU 72 Cb 0.99 -1.98 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 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 1.34 -0.09 3.84 2.07 -0.61 -3.29 116.25 119.50 1wmj h VAL 73 Ca 0.70 -2.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.65 1wmj h VAL 73 Cb 2.91 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 35.68 1wmj h VAL 73 CO -0.01 0.70 -0.32 0.00 0.02 0.00 0.00 177.57 177.97 1wmj h ALA 74 N 0.03 1.30 0.00 1.67 0.00 0.31 -2.34 119.26 120.23 1wmj h ALA 74 Ca -0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1wmj h ALA 74 Cb 1.68 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wmj h ALA 74 CO 0.11 0.49 -0.06 0.93 0.00 0.00 0.00 179.25 180.72 1wmj h GLU 75 N 0.15 0.00 0.05 0.00 5.08 -0.77 0.79 114.58 119.87 1wmj h GLU 75 Ca 0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1wmj h GLU 75 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1wmj h GLU 75 CO 0.05 0.06 -1.23 1.57 -1.00 0.00 0.00 179.01 178.46 1wmj h LYS 76 N 0.00 0.10 0.00 2.33 2.10 -1.49 -3.32 116.57 116.29 1wmj h LYS 76 Ca -0.00 -0.17 -0.02 0.00 -2.00 0.00 0.00 60.65 58.46 1wmj h LYS 76 Cb 0.39 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1wmj h LYS 76 CO 0.01 1.00 -1.61 0.66 -2.00 0.00 0.00 179.45 177.51 1wmj n TYR 77 N -3.37 0.41 -1.79 0.07 4.01 -0.93 -5.03 117.16 110.53 1wmj n TYR 77 Ca -0.07 0.12 -0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1wmj n TYR 77 Cb 0.99 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 -2.46 -3.13 -0.05 7.72 4.05 0.27 -5.02 115.26 116.63 1wmj n ASN 78 Ca -0.04 0.02 -0.05 0.00 0.45 0.00 0.00 54.58 54.96 1wmj n ASN 78 Cb 0.59 -1.84 -0.09 0.00 1.23 0.00 0.00 39.78 39.68 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 -0.97 0.76 0.00 3.44 0.24 -1.01 -5.04 118.33 115.75 1wmj n VAL 79 Ca 0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1wmj n VAL 79 Cb 0.39 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.41 0.00 0.00 7.34 1.02 -1.26 -4.07 120.64 121.26 1wmj n GLU 80 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1wmj n GLU 80 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.28 1wmj n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wmj n ALA 81 N 0.00 0.00 -2.27 0.62 0.00 -1.26 -5.03 120.51 112.57 1wmj n ALA 81 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1wmj n ALA 81 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 1.07 0.00 0.00 -1.94 -1.26 -3.15 119.30 114.03 1wmj s MET 82 Ca 0.00 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.51 1wmj s MET 82 Cb 0.00 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1wmj s MET 82 CO 0.00 -0.34 0.28 -0.35 -0.01 0.00 0.00 175.02 174.60 1wmj n PRO 83 N -0.18 0.49 -1.61 2.03 -0.04 -1.25 -1.22 135.00 133.22 1wmj n PRO 83 Ca -0.03 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.90 1wmj n PRO 83 Cb 0.64 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.33 0.05 -0.91 0.52 -1.04 -1.26 0.26 114.28 112.22 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 0.14 -0.88 0.02 0.00 -1.82 0.00 0.00 70.33 67.79 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 2.95 1.35 -0.73 -1.42 3.01 -1.25 -0.38 117.46 120.98 1wmj n PHE 85 Ca 0.20 -1.86 -0.26 0.00 1.01 0.00 0.00 57.45 56.54 1wmj n PHE 85 Cb 0.18 -0.96 -0.02 0.00 -0.01 0.00 0.00 39.48 38.67 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 0.56 -0.49 -4.51 4.37 -0.00 -0.16 -4.15 117.00 112.62 1wmj n LEU 86 Ca 0.29 0.59 -0.28 0.00 -0.00 0.00 0.00 56.01 56.61 1wmj n LEU 86 Cb 0.57 -0.49 -0.10 0.00 -0.00 0.00 0.00 43.42 43.40 1wmj n LEU 86 CO 0.33 -1.40 -0.46 -0.36 -0.00 0.00 0.00 177.39 175.50 1wmj s PHE 87 N -0.39 2.53 -0.43 1.96 0.40 0.45 0.14 117.98 122.64 1wmj s PHE 87 Ca 0.36 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1wmj s PHE 87 Cb -0.52 -1.27 0.17 0.00 0.51 0.00 0.00 43.02 41.90 1wmj s PHE 87 CO 0.29 0.47 0.35 0.42 0.70 0.00 0.00 175.22 177.45 1wmj s ILE 88 N -1.52 0.50 -0.18 0.64 -1.09 -1.00 -2.28 121.20 116.26 1wmj s ILE 88 Ca 0.22 -2.75 -0.29 0.00 -2.23 0.00 0.00 60.65 55.60 1wmj s ILE 88 Cb -0.09 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.43 1wmj s ILE 88 CO 0.12 -1.22 1.01 -0.75 -1.23 0.00 0.00 174.94 172.87 1wmj s LYS 89 N -0.04 4.31 0.00 2.79 2.20 -1.26 -3.14 119.74 124.61 1wmj s LYS 89 Ca 0.32 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 1wmj s LYS 89 Cb 0.03 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1wmj s LYS 89 CO -0.20 -0.50 0.00 -3.47 -0.36 0.00 0.00 175.35 170.82 1wmj n ASP 90 N 5.79 0.00 -0.05 1.43 2.03 -1.26 -3.65 116.55 120.83 1wmj n ASP 90 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1wmj n ASP 90 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wmj n GLY 91 N -2.00 0.85 0.00 0.27 0.00 -1.19 -4.83 105.19 98.30 1wmj n GLY 91 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.17 0.92 -3.15 4.61 0.00 -1.24 -5.11 120.51 116.37 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 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 0.14 -0.03 0.00 2.12 -1.26 -4.72 118.70 114.95 1wmj s GLU 93 Ca 0.00 0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.55 1wmj s GLU 93 Cb 0.00 0.10 -0.25 0.00 0.26 0.00 0.00 34.13 34.24 1wmj s GLU 93 CO 0.00 -0.20 0.71 0.00 -0.54 0.00 0.00 175.26 175.23 1wmj h ALA 94 N 7.65 0.51 0.00 6.30 0.00 -1.73 -3.45 119.26 128.54 1wmj h ALA 94 Ca -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.51 1wmj h ALA 94 Cb 1.18 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wmj h ALA 94 CO -0.12 1.36 0.00 -0.25 0.00 0.00 0.00 179.25 180.24 1wmj n ASP 95 N -3.30 0.00 -4.37 0.00 8.00 -1.25 -5.00 116.55 110.63 1wmj n ASP 95 Ca -0.19 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.01 1wmj n ASP 95 Cb 1.04 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.07 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 -1.15 0.68 0.00 -1.24 4.01 -1.26 0.17 118.16 119.37 1wmj n LYS 96 Ca 0.00 -3.66 0.00 0.00 -0.51 0.00 0.00 58.31 54.14 1wmj n LYS 96 Cb 0.00 1.40 0.00 0.00 -0.51 0.00 0.00 35.03 35.92 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 -1.13 0.00 0.00 -0.18 0.31 -1.26 -4.90 118.33 111.17 1wmj n VAL 97 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1wmj n VAL 97 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 -0.90 2.52 0.31 -1.26 -4.56 118.33 114.43 1wmj n VAL 98 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1wmj n VAL 98 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.57 3.72 0.25 2.92 0.00 0.71 -3.47 105.19 108.76 1wmj n GLY 99 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.83 1.51 -4.01 4.61 0.00 -1.26 -4.79 120.51 117.39 1wmj n ALA 100 Ca 0.27 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 1wmj n ALA 100 Cb 0.58 -0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.80 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 2.10 -0.02 0.00 3.00 -1.23 -4.97 118.95 117.83 1wmj s ARG 101 Ca 0.00 -0.92 0.09 0.00 0.00 0.00 0.00 55.73 54.90 1wmj s ARG 101 Cb 0.00 -2.51 0.30 0.00 0.00 0.00 0.00 34.95 32.74 1wmj s ARG 101 CO 0.00 -0.44 1.19 1.17 0.00 0.00 0.00 175.30 177.22 1wmj n LYS 102 N 4.64 1.94 0.00 3.54 0.00 -1.26 -2.76 118.16 124.26 1wmj n LYS 102 Ca -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 58.31 56.97 1wmj n LYS 102 Cb 0.46 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1wmj n LYS 102 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1wmj n ASP 103 N 0.40 0.20 -0.04 3.14 5.75 -1.26 -4.79 116.55 119.95 1wmj n ASP 103 Ca 0.11 -0.57 -0.04 0.00 -0.01 0.00 0.00 54.79 54.28 1wmj n ASP 103 Cb 0.35 0.26 -0.07 0.00 -1.03 0.00 0.00 41.12 40.64 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wmj n ASP 104 N -0.26 2.94 0.00 -1.12 -0.08 -1.23 -4.42 116.55 112.39 1wmj n ASP 104 Ca 0.00 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1wmj n ASP 104 Cb 0.06 0.67 0.00 0.00 2.34 0.00 0.00 41.12 44.19 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 -2.33 0.51 -0.38 -2.67 7.94 -1.11 -1.92 117.00 117.03 1wmj n LEU 105 Ca -0.14 0.55 0.30 0.00 -1.11 0.00 0.00 56.01 55.61 1wmj n LEU 105 Cb 0.77 -0.18 0.60 0.00 0.53 0.00 0.00 43.42 45.14 1wmj n LEU 105 CO 0.17 -0.18 1.25 0.06 -1.11 0.00 0.00 177.39 177.58 1wmj h GLN 106 N 0.00 0.21 -0.30 1.96 -0.00 -1.87 1.01 115.11 116.12 1wmj h GLN 106 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1wmj h GLN 106 Cb 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 27.42 1wmj h GLN 106 CO 0.00 0.14 0.03 -0.97 -0.00 0.00 0.00 178.83 178.02 1wmj h ASN 107 N 0.22 0.41 0.07 0.06 -1.24 -1.77 -2.39 115.58 110.95 1wmj h ASN 107 Ca 0.68 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.51 1wmj h ASN 107 Cb 2.07 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 41.02 1wmj h ASN 107 CO -0.29 0.46 -0.54 0.74 -1.29 0.00 0.00 177.43 176.51 1wmj h THR 108 N 0.44 1.57 -0.50 -3.57 2.02 0.17 -3.23 112.91 109.80 1wmj h THR 108 Ca 0.10 -2.43 0.15 0.00 0.77 0.00 0.00 66.41 64.99 1wmj h THR 108 Cb 0.25 3.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1wmj h THR 108 CO 0.00 0.65 0.42 0.40 0.37 0.00 0.00 175.52 177.37 1wmj h ILE 109 N -0.66 0.55 0.00 3.11 5.03 -1.09 0.37 117.51 124.82 1wmj h ILE 109 Ca -0.10 0.00 -0.15 0.00 -0.12 0.00 0.00 64.86 64.49 1wmj h ILE 109 Cb 1.37 0.69 -0.02 0.00 -3.03 0.00 0.00 36.82 35.82 1wmj h ILE 109 CO 0.07 0.00 -0.69 -0.37 -0.68 0.00 0.00 178.15 176.47 1wmj h VAL 110 N 0.00 1.26 0.00 1.67 -1.51 -1.51 1.21 116.25 117.37 1wmj h VAL 110 Ca 0.24 -2.60 -0.18 0.00 -1.23 0.00 0.00 66.70 62.93 1wmj h VAL 110 Cb 1.09 2.50 -0.03 0.00 -2.13 0.00 0.00 31.29 32.72 1wmj h VAL 110 CO -0.00 0.68 -0.96 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 -0.35 -0.55 116.57 122.95 1wmj h LYS 111 Ca -0.01 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.25 1wmj h LYS 111 Cb 1.45 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.72 1wmj h LYS 111 CO 0.09 0.66 -2.35 0.72 -2.00 0.00 0.00 179.45 176.57 1wmj n HIS 112 N -3.21 0.00 -0.05 0.07 8.25 -0.30 -4.20 115.22 115.79 1wmj n HIS 112 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1wmj n HIS 112 Cb 0.86 -0.88 -0.15 0.00 1.12 0.00 0.00 29.99 30.95 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 -3.87 1.54 0.89 1.59 0.31 0.37 -4.08 118.33 115.09 1wmj n VAL 113 Ca -0.46 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.19 1wmj n VAL 113 Cb 0.86 -0.88 0.56 0.00 -0.91 0.00 0.00 33.84 33.48 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 1.65 -1.46 4.08 2.92 0.00 0.12 -4.78 105.19 107.71 1wmj n GLY 114 Ca -0.23 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.54 -1.11 0.00 4.61 0.00 -0.57 -4.36 120.51 117.55 1wmj n ALA 115 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wmj n ALA 115 Cb 0.33 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 -3.63 0.00 -1.28 0.00 -2.24 -1.06 -5.06 114.28 101.01 1wmj n THR 116 Ca 0.10 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.02 1wmj n THR 116 Cb 0.43 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.06 -3.38 0.29 6.98 0.00 -0.34 -4.64 120.51 118.36 1wmj n ALA 117 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 53.44 53.99 1wmj n ALA 117 Cb 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.36 -0.76 0.00 0.00 0.00 -1.88 -3.47 119.26 111.80 1wmj h ALA 118 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wmj h ALA 118 Cb 1.21 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wmj h ALA 118 CO 0.05 -0.79 0.00 0.45 0.00 0.00 0.00 179.25 178.96 1wmj n SER 119 N -5.32 -0.20 0.00 0.00 2.88 -1.26 -5.08 113.62 104.64 1wmj n SER 119 Ca -0.11 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wmj n SER 119 Cb 0.34 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 1wmj n SER 119 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wmj n ALA 120 N -2.55 0.00 -2.77 -1.46 0.00 -1.26 -5.11 120.51 107.37 1wmj n ALA 120 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1wmj n ALA 120 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 -5.17 0.00 0.00 2.88 -1.26 -5.17 113.62 104.90 1wmj n SER 121 Ca 0.00 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1wmj n SER 121 Cb 0.00 -4.54 0.00 0.00 -0.75 0.00 0.00 64.21 58.92 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81