#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 1.80 -3.45 3.04 0.00 -1.26 -5.00 120.51 115.64 1wmj n ALA 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1wmj n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.29 -0.81 -2.66 0.00 0.00 -1.26 -2.45 120.51 112.04 1wmj n ALA 3 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1wmj n ALA 3 Cb 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.83 -3.82 0.00 0.00 0.00 -1.26 -5.06 120.64 107.68 1wmj n GLU 4 Ca 0.08 2.98 0.00 0.00 0.00 0.00 0.00 57.16 60.22 1wmj n GLU 4 Cb 0.31 -5.24 0.00 0.00 0.00 0.00 0.00 31.44 26.50 1wmj n GLU 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wmj n GLU 5 N 1.00 2.81 -0.38 5.31 -0.58 -1.03 -4.93 120.64 122.84 1wmj n GLU 5 Ca -0.13 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.54 1wmj n GLU 5 Cb 0.20 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.12 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 2.76 3.31 0.62 0.00 -1.26 -4.84 105.19 110.77 1wmj n GLY 6 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1wmj n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wmj n VAL 7 N 0.17 0.00 -1.54 1.61 0.24 -1.26 -3.86 118.33 113.70 1wmj n VAL 7 Ca 0.16 -1.90 -0.28 0.00 -2.04 0.00 0.00 64.34 60.28 1wmj n VAL 7 Cb 0.77 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.96 1wmj n VAL 7 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1wmj n VAL 8 N -1.62 -0.03 -0.91 3.34 0.24 -1.24 -4.81 118.33 113.29 1wmj n VAL 8 Ca -0.02 -0.51 -0.37 0.00 -2.04 0.00 0.00 64.34 61.40 1wmj n VAL 8 Cb 0.54 -1.68 0.07 0.00 -1.47 0.00 0.00 33.84 31.30 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 7.75 0.00 -3.17 1.34 2.08 -1.25 -4.42 119.36 121.68 1wmj n ILE 9 Ca 0.50 -0.14 -0.19 0.00 0.56 0.00 0.00 62.75 63.49 1wmj n ILE 9 Cb 0.35 -0.17 -0.03 0.00 -0.75 0.00 0.00 39.64 39.04 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 -3.60 2.17 -0.88 -1.39 0.00 -1.24 0.20 120.51 115.77 1wmj n ALA 10 Ca -0.01 -3.48 -0.34 0.00 0.00 0.00 0.00 53.44 49.60 1wmj n ALA 10 Cb 0.69 -0.92 0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.15 -0.97 -1.39 0.00 8.25 -1.26 -4.12 115.22 112.58 1wmj n HIS 12 Ca 0.03 -0.93 -0.00 0.00 -0.26 0.00 0.00 57.72 56.56 1wmj n HIS 12 Cb 0.54 0.98 -0.00 0.00 1.12 0.00 0.00 29.99 32.63 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 -0.72 -0.04 0.00 0.41 6.94 -1.26 -4.93 115.26 115.65 1wmj n ASN 13 Ca -0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.30 1wmj n ASN 13 Cb 0.71 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1wmj n LYS 14 N 0.00 0.00 -0.20 -3.83 4.81 -1.26 -4.32 118.16 113.36 1wmj n LYS 14 Ca -0.01 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.52 1wmj n LYS 14 Cb 0.20 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.43 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 0.98 -0.06 -0.03 3.14 2.03 -1.26 0.33 116.55 121.68 1wmj n ASP 15 Ca 0.00 0.99 -0.16 0.00 0.52 0.00 0.00 54.79 56.13 1wmj n ASP 15 Cb 0.00 -0.36 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 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 0.80 -1.00 -0.67 5.08 -1.97 -2.96 114.58 113.86 1wmj h GLU 16 Ca 0.36 -0.62 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1wmj h GLU 16 Cb 0.75 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1wmj h GLU 16 CO -0.54 1.23 0.64 0.35 -1.00 0.00 0.00 179.01 179.69 1wmj h PHE 17 N 0.56 1.17 -0.44 4.33 3.04 0.51 -1.78 116.94 124.33 1wmj h PHE 17 Ca -0.04 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 1wmj h PHE 17 Cb 1.35 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1wmj h PHE 17 CO 0.08 0.55 -0.23 -0.44 -2.02 0.00 0.00 178.31 176.25 1wmj h ASP 18 N 1.10 0.97 -0.49 0.41 3.32 -1.06 -2.46 116.42 118.21 1wmj h ASP 18 Ca 0.45 -0.41 0.14 0.00 0.02 0.00 0.00 57.03 57.23 1wmj h ASP 18 Cb 0.29 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1wmj h ASP 18 CO -0.20 1.17 0.96 0.00 -1.72 0.00 0.00 179.24 179.45 1wmj h ALA 19 N 0.83 2.36 0.00 3.45 0.00 -1.15 0.36 119.26 125.11 1wmj h ALA 19 Ca 0.10 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1wmj h ALA 19 Cb 0.81 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1wmj h ALA 19 CO 0.07 -1.21 -1.54 1.04 0.00 0.00 0.00 179.25 177.61 1wmj n GLN 20 N -2.99 0.42 -0.11 0.00 3.00 -1.10 -3.94 117.38 112.66 1wmj n GLN 20 Ca 0.10 0.18 0.26 0.00 -0.01 0.00 0.00 57.00 57.53 1wmj n GLN 20 Cb 1.12 -1.21 0.61 0.00 0.00 0.00 0.00 30.24 30.76 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 -0.74 0.00 0.00 -1.09 4.05 -0.79 1.41 114.93 117.77 1wmj h MET 21 Ca -0.30 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 58.97 1wmj h MET 21 Cb 1.14 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 1wmj h MET 21 CO -0.18 0.00 -1.45 2.41 0.23 0.00 0.00 176.91 177.92 1wmj n THR 22 N -3.53 1.10 0.72 -0.77 -1.04 0.01 -3.93 114.28 106.82 1wmj n THR 22 Ca 0.17 -0.68 -0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1wmj n THR 22 Cb 1.13 -0.66 0.05 0.00 -1.82 0.00 0.00 70.33 69.03 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 -2.83 1.47 0.00 -2.82 5.02 0.48 -3.53 118.16 115.95 1wmj n LYS 23 Ca -0.10 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1wmj n LYS 23 Cb 0.82 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 0.13 2.57 -0.15 7.82 0.00 -1.14 -4.07 120.51 125.68 1wmj n ALA 24 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1wmj n ALA 24 Cb 0.46 0.50 -0.01 0.00 0.00 0.00 0.00 19.45 20.39 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 0.83 0.16 0.00 2.10 -1.73 -0.01 116.57 117.92 1wmj h LYS 25 Ca 0.00 -0.30 -0.35 0.00 -2.00 0.00 0.00 60.65 58.00 1wmj h LYS 25 Cb 1.00 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1wmj h LYS 25 CO 0.00 0.93 -1.81 1.05 -2.00 0.00 0.00 179.45 177.62 1wmj h GLU 26 N 0.66 0.34 -0.09 0.07 4.11 -1.86 -3.34 114.58 114.47 1wmj h GLU 26 Ca 0.11 -0.58 -0.05 0.00 0.07 0.00 0.00 59.36 58.92 1wmj h GLU 26 Cb 0.60 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1wmj h GLU 26 CO 0.04 1.26 -0.16 0.00 0.07 0.00 0.00 179.01 180.21 1wmj h ALA 27 N 0.15 1.56 -0.33 1.06 0.00 -1.70 -3.47 119.26 116.53 1wmj h ALA 27 Ca -0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wmj h ALA 27 Cb 2.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1wmj h ALA 27 CO 0.15 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1wmj n GLY 28 N -0.89 1.04 3.13 0.00 0.00 -0.14 -4.99 105.19 103.34 1wmj n GLY 28 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.62 0.73 0.86 1.61 -2.85 -0.46 -5.00 119.74 112.00 1wmj s LYS 29 Ca 0.00 -1.17 -0.11 0.00 -1.00 0.00 0.00 55.97 53.69 1wmj s LYS 29 Cb 0.00 -0.18 0.11 0.00 -2.06 0.00 0.00 37.83 35.69 1wmj s LYS 29 CO 0.00 -0.01 1.09 0.08 0.10 0.00 0.00 175.35 176.61 1wmj s VAL 30 N -3.06 2.87 0.00 1.79 1.01 -0.49 -4.37 120.40 118.15 1wmj s VAL 30 Ca 0.06 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1wmj s VAL 30 Cb 0.02 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1wmj s VAL 30 CO -0.04 -0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 173.88 1wmj s VAL 31 N -2.91 3.23 -0.30 2.92 1.01 -1.24 -2.30 120.40 120.82 1wmj s VAL 31 Ca 0.63 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1wmj s VAL 31 Cb -0.18 -2.36 0.11 0.00 0.00 0.00 0.00 36.38 33.96 1wmj s VAL 31 CO 0.57 0.43 0.18 -0.63 0.00 0.00 0.00 175.10 175.64 1wmj s ILE 32 N -0.90 -0.09 -0.21 2.22 1.09 -1.26 -2.42 121.20 119.63 1wmj s ILE 32 Ca 0.15 -0.90 -0.11 0.00 -1.10 0.00 0.00 60.65 58.69 1wmj s ILE 32 Cb -0.11 -0.99 -0.05 0.00 -1.06 0.00 0.00 42.46 40.25 1wmj s ILE 32 CO 0.05 -0.73 0.18 -0.63 -0.10 0.00 0.00 174.94 173.71 1wmj s ILE 33 N 1.93 5.37 -0.83 2.92 1.09 0.13 -0.92 121.20 130.88 1wmj s ILE 33 Ca 0.11 0.27 -0.12 0.00 -1.10 0.00 0.00 60.65 59.82 1wmj s ILE 33 Cb -0.17 -3.52 0.22 0.00 -1.06 0.00 0.00 42.46 37.93 1wmj s ILE 33 CO -0.28 0.39 0.75 -0.62 -0.10 0.00 0.00 174.94 175.08 1wmj s ASP 34 N 0.64 6.60 0.42 3.58 2.15 0.24 -0.78 116.67 129.52 1wmj s ASP 34 Ca 0.10 -2.82 0.00 0.00 0.43 0.00 0.00 52.55 50.26 1wmj s ASP 34 Cb -0.12 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1wmj s ASP 34 CO 0.01 -0.51 0.00 0.49 -0.17 0.00 0.00 175.17 174.99 1wmj n PHE 35 N 3.76 -1.45 0.00 -5.34 3.72 0.74 -2.01 117.46 116.89 1wmj n PHE 35 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 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 -1.76 0.00 0.11 4.37 5.66 0.12 -3.90 114.28 118.87 1wmj n THR 36 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1wmj n THR 36 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 -0.63 0.00 1.79 0.00 -1.79 0.33 119.26 118.96 1wmj h ALA 37 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wmj h ALA 37 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wmj h ALA 37 CO 0.00 -0.61 0.00 0.43 0.00 0.00 0.00 179.25 179.07 1wmj n SER 38 N -3.26 0.00 -0.03 0.00 7.64 -1.26 -4.13 113.62 112.58 1wmj n SER 38 Ca -0.04 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.67 1wmj n SER 38 Cb 0.11 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 1wmj n SER 38 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wmj n TRP 39 N -0.68 0.88 0.00 1.43 8.01 -1.26 -4.97 117.44 120.84 1wmj n TRP 39 Ca 0.00 0.21 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 1wmj n TRP 39 Cb 0.00 -1.12 0.00 0.00 -2.01 0.00 0.00 31.31 28.18 1wmj n TRP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1wmj n GLY 41 N 0.00 1.13 0.11 0.00 0.00 -1.26 -4.59 105.19 100.58 1wmj n GLY 41 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.16 -4.28 1.61 0.13 -1.86 -3.46 132.00 123.98 1wmj h PRO 42 Ca 0.00 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1wmj h PRO 42 Cb 0.00 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.13 1wmj h PRO 42 CO 0.00 0.26 -0.09 0.00 -0.23 0.00 0.00 178.00 177.95 1wmj n ARG 44 N -2.04 0.00 -0.14 0.00 1.74 -1.26 -4.75 116.66 110.21 1wmj n ARG 44 Ca 0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1wmj n ARG 44 Cb 0.37 -0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.79 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 0.81 -0.53 -1.55 3.04 -1.97 -3.07 116.94 113.67 1wmj h PHE 45 Ca 0.00 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.80 1wmj h PHE 45 Cb 0.00 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.30 1wmj h PHE 45 CO 0.00 0.83 0.00 1.51 -2.02 0.00 0.00 178.31 178.63 1wmj n ILE 46 N -4.40 0.88 0.16 1.41 3.06 -1.26 -4.58 119.36 114.63 1wmj n ILE 46 Ca -0.01 -0.94 -0.14 0.00 -2.50 0.00 0.00 62.75 59.16 1wmj n ILE 46 Cb 0.31 0.61 -0.07 0.00 0.54 0.00 0.00 39.64 41.03 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 3.51 -0.56 0.00 1.51 0.00 -1.83 -0.87 119.26 121.02 1wmj h ALA 47 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wmj h ALA 47 Cb 0.89 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wmj h ALA 47 CO 0.00 -0.86 0.00 -0.35 0.00 0.00 0.00 179.25 178.04 1wmj n PRO 48 N -5.40 0.49 -0.13 0.00 -0.04 -1.26 -2.98 135.00 125.67 1wmj n PRO 48 Ca -0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.10 1wmj n PRO 48 Cb 0.31 -1.29 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.79 1.53 0.00 0.52 0.31 -0.38 -4.01 118.33 115.51 1wmj n VAL 49 Ca 0.07 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1wmj n VAL 49 Cb 0.03 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 -4.18 0.00 -0.27 3.52 3.72 -0.88 -0.23 117.46 119.14 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 0.88 -0.40 0.13 0.00 -0.94 0.00 0.00 39.48 39.14 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 0.64 -0.12 4.37 0.00 -1.85 0.78 119.26 121.09 1wmj h ALA 51 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1wmj h ALA 51 Cb 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wmj h ALA 51 CO 0.00 -0.42 -0.09 1.05 0.00 0.00 0.00 179.25 179.78 1wmj h GLU 52 N 0.04 0.17 -0.16 0.00 4.11 -1.69 -2.78 114.58 114.26 1wmj h GLU 52 Ca 0.40 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.70 1wmj h GLU 52 Cb 0.66 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wmj h GLU 52 CO -0.75 0.28 -0.25 1.88 0.07 0.00 0.00 179.01 180.24 1wmj h TYR 53 N 0.17 0.56 -0.95 2.06 -1.99 0.37 -2.39 116.97 114.81 1wmj h TYR 53 Ca 0.04 -0.19 0.29 0.00 2.00 0.00 0.00 58.73 60.87 1wmj h TYR 53 Cb 0.28 -0.11 -0.16 0.00 2.00 0.00 0.00 36.73 38.74 1wmj h TYR 53 CO 0.00 0.88 0.30 0.00 -0.00 0.00 0.00 178.16 179.34 1wmj h ALA 54 N 0.58 1.52 0.14 3.88 0.00 -0.59 0.21 119.26 125.01 1wmj h ALA 54 Ca 0.01 0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 1wmj h ALA 54 Cb 0.83 0.36 0.03 0.00 0.00 0.00 0.00 17.79 19.00 1wmj h ALA 54 CO 0.06 -0.60 -1.07 0.87 0.00 0.00 0.00 179.25 178.51 1wmj h LYS 55 N 0.14 0.48 -0.44 0.00 1.57 -1.59 -3.25 116.57 113.48 1wmj h LYS 55 Ca 0.65 -0.70 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1wmj h LYS 55 Cb 1.44 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.97 1wmj h LYS 55 CO -0.73 1.31 0.40 0.87 -0.57 0.00 0.00 179.45 180.73 1wmj h LYS 56 N -0.01 0.00 -3.52 3.15 1.57 -0.14 -3.25 116.57 114.37 1wmj h LYS 56 Ca -0.17 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.93 1wmj h LYS 56 Cb 1.80 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.73 1wmj h LYS 56 CO 0.20 0.00 -0.46 -0.06 -0.57 0.00 0.00 179.45 178.56 1wmj s PHE 57 N -4.77 3.33 -1.44 -1.35 0.40 0.00 -4.92 117.98 109.23 1wmj s PHE 57 Ca -0.05 -2.89 0.15 0.00 -0.60 0.00 0.00 56.93 53.54 1wmj s PHE 57 Cb 0.17 -3.06 0.75 0.00 0.51 0.00 0.00 43.02 41.39 1wmj s PHE 57 CO 0.62 -0.80 1.41 -0.35 0.70 0.00 0.00 175.22 176.79 1wmj n PRO 58 N 3.34 0.22 -0.52 0.24 -0.04 -1.23 -2.73 135.00 134.28 1wmj n PRO 58 Ca 0.07 0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 1wmj n PRO 58 Cb 0.36 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.37 3.37 0.55 0.00 -1.26 -4.89 105.19 105.29 1wmj n GLY 59 Ca 0.07 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.02 -0.25 -0.20 4.61 0.00 -1.10 -1.40 121.76 121.41 1wmj s ALA 60 Ca 0.31 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1wmj s ALA 60 Cb 0.24 0.83 -0.21 0.00 0.00 0.00 0.00 23.12 23.97 1wmj s ALA 60 CO 0.09 -0.67 0.05 1.33 0.00 0.00 0.00 175.76 176.55 1wmj n VAL 61 N -0.23 1.52 -1.52 0.00 0.24 -0.97 -4.92 118.33 112.44 1wmj n VAL 61 Ca -0.09 -0.69 0.05 0.00 -2.04 0.00 0.00 64.34 61.57 1wmj n VAL 61 Cb 0.63 -1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 31.81 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 -3.13 -3.94 0.00 6.34 3.01 -1.26 -4.65 117.46 113.82 1wmj n PHE 62 Ca -0.37 2.15 0.00 0.00 1.01 0.00 0.00 57.45 60.24 1wmj n PHE 62 Cb 1.05 -3.38 0.00 0.00 -0.01 0.00 0.00 39.48 37.14 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 -3.08 0.00 -4.16 4.37 7.94 -0.10 -3.88 117.00 118.09 1wmj n LEU 63 Ca -0.03 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.59 1wmj n LEU 63 Cb 0.51 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.30 1wmj n LEU 63 CO 0.01 0.00 -0.52 -0.75 -1.11 0.00 0.00 177.39 175.02 1wmj s LYS 64 N -1.91 2.17 0.29 1.96 2.20 0.53 0.83 119.74 125.81 1wmj s LYS 64 Ca 0.00 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 54.97 1wmj s LYS 64 Cb 0.00 -1.79 -0.06 0.00 -1.51 0.00 0.00 37.83 34.47 1wmj s LYS 64 CO 0.00 0.22 0.01 0.14 -0.36 0.00 0.00 175.35 175.36 1wmj s VAL 65 N 0.16 1.30 -0.19 4.02 -7.23 -0.85 0.17 120.40 117.78 1wmj s VAL 65 Ca -0.09 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 1wmj s VAL 65 Cb -0.14 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1wmj s VAL 65 CO 0.04 -0.16 -0.09 -0.62 -0.31 0.00 0.00 175.10 173.96 1wmj s ASP 66 N -3.44 4.04 -0.07 4.85 2.15 -1.26 -3.53 116.67 119.41 1wmj s ASP 66 Ca 0.33 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.89 1wmj s ASP 66 Cb 0.07 -1.67 0.07 0.00 -0.30 0.00 0.00 42.92 41.09 1wmj s ASP 66 CO 0.13 0.03 1.50 1.33 -0.17 0.00 0.00 175.17 177.98 1wmj n VAL 67 N 4.47 1.68 0.00 1.11 0.24 0.10 -2.92 118.33 123.02 1wmj n VAL 67 Ca -0.19 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1wmj n VAL 67 Cb 0.51 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 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 0.68 3.25 -0.01 -1.34 2.03 -1.26 -4.31 116.55 115.59 1wmj n ASP 68 Ca 0.08 -0.06 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 1wmj n ASP 68 Cb 0.60 0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 41.76 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 -1.10 2.83 -0.55 -0.67 0.28 -1.19 -4.76 120.64 115.47 1wmj n GLU 69 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1wmj n GLU 69 Cb 0.00 -1.03 0.09 0.00 1.43 0.00 0.00 31.44 31.93 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 -2.18 1.46 -0.34 -1.84 -0.00 -1.15 -4.86 117.00 108.10 1wmj n LEU 70 Ca -0.02 -2.41 0.28 0.00 -0.00 0.00 0.00 56.01 53.85 1wmj n LEU 70 Cb 0.54 -0.24 0.46 0.00 -0.00 0.00 0.00 43.42 44.17 1wmj n LEU 70 CO 0.03 0.66 0.82 2.29 -0.00 0.00 0.00 177.39 181.19 1wmj n LYS 71 N -0.60 -0.02 -0.48 1.47 2.85 -1.25 0.20 118.16 120.33 1wmj n LYS 71 Ca 0.10 0.77 0.39 0.00 -1.05 0.00 0.00 58.31 58.52 1wmj n LYS 71 Cb 0.76 -1.58 0.59 0.00 -0.65 0.00 0.00 35.03 34.14 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 -3.77 0.00 0.02 -1.58 0.28 -1.26 0.25 120.64 114.58 1wmj n GLU 72 Ca 0.26 0.87 -0.19 0.00 -0.16 0.00 0.00 57.16 57.95 1wmj n GLU 72 Cb 1.08 -2.04 -0.13 0.00 1.43 0.00 0.00 31.44 31.78 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 1.49 -0.15 3.84 2.07 -0.65 -3.20 116.25 119.65 1wmj h VAL 73 Ca 0.68 -2.32 -0.10 0.00 0.82 0.00 0.00 66.70 65.78 1wmj h VAL 73 Cb 2.91 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 35.63 1wmj h VAL 73 CO -0.01 0.66 -0.36 0.00 0.02 0.00 0.00 177.57 177.89 1wmj h ALA 74 N 0.18 1.11 0.00 1.67 0.00 0.32 -2.56 119.26 119.98 1wmj h ALA 74 Ca -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1wmj h ALA 74 Cb 1.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wmj h ALA 74 CO 0.13 0.57 -0.10 0.93 0.00 0.00 0.00 179.25 180.78 1wmj h GLU 75 N 0.27 0.00 0.07 0.00 5.08 -1.03 0.79 114.58 119.76 1wmj h GLU 75 Ca 0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.15 1wmj h GLU 75 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1wmj h GLU 75 CO 0.06 0.10 -1.14 1.57 -1.00 0.00 0.00 179.01 178.60 1wmj h LYS 76 N 0.00 0.14 0.00 2.33 2.10 -1.45 -3.30 116.57 116.39 1wmj h LYS 76 Ca -0.00 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1wmj h LYS 76 Cb 0.38 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1wmj h LYS 76 CO 0.01 1.11 -1.31 0.66 -2.00 0.00 0.00 179.45 177.92 1wmj n TYR 77 N -3.44 0.21 -2.05 0.07 4.01 -0.91 -5.03 117.16 110.03 1wmj n TYR 77 Ca -0.05 0.06 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1wmj n TYR 77 Cb 0.99 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.05 -4.12 -0.08 7.72 4.05 0.27 -5.01 115.26 116.04 1wmj n ASN 78 Ca 0.00 0.03 -0.08 0.00 0.45 0.00 0.00 54.58 54.98 1wmj n ASN 78 Cb 0.47 -2.57 -0.11 0.00 1.23 0.00 0.00 39.78 38.80 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 -1.08 1.01 0.00 3.44 0.24 -0.91 -5.03 118.33 116.01 1wmj n VAL 79 Ca 0.01 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1wmj n VAL 79 Cb 0.42 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 -2.62 0.00 0.00 7.34 1.02 -1.26 -4.54 120.64 120.58 1wmj n GLU 80 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1wmj n GLU 80 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.38 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 0.00 0.62 0.00 -1.26 -5.00 120.51 114.87 1wmj n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wmj n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wmj n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n MET 82 N 0.00 0.00 -0.15 0.00 0.00 -1.26 -4.50 117.12 111.20 1wmj n MET 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1wmj n MET 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1wmj n MET 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1wmj n PRO 83 N -0.25 0.49 -1.67 3.17 -0.04 -1.25 0.12 135.00 135.57 1wmj n PRO 83 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1wmj n PRO 83 Cb 0.00 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 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 1.39 0.72 -0.59 0.52 -1.04 -1.26 0.27 114.28 114.28 1wmj n THR 84 Ca 0.00 -0.13 -0.04 0.00 -2.04 0.00 0.00 64.05 61.85 1wmj n THR 84 Cb 0.25 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 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 7.26 0.29 -0.90 -1.42 3.72 -1.24 -0.18 117.46 124.99 1wmj n PHE 85 Ca 0.20 -1.20 -0.30 0.00 -0.05 0.00 0.00 57.45 56.10 1wmj n PHE 85 Cb 0.38 -0.63 -0.01 0.00 -0.94 0.00 0.00 39.48 38.28 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 1.32 -1.15 -4.47 4.37 -0.00 0.04 -4.16 117.00 112.95 1wmj n LEU 86 Ca 0.07 0.68 -0.26 0.00 -0.00 0.00 0.00 56.01 56.49 1wmj n LEU 86 Cb 0.53 -0.61 -0.11 0.00 -0.00 0.00 0.00 43.42 43.23 1wmj n LEU 86 CO 0.07 -2.21 -0.50 -0.36 -0.00 0.00 0.00 177.39 174.40 1wmj s PHE 87 N -0.79 2.38 -0.41 1.96 0.40 0.47 0.18 117.98 122.17 1wmj s PHE 87 Ca 0.41 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.48 1wmj s PHE 87 Cb -0.55 -1.16 0.21 0.00 0.51 0.00 0.00 43.02 42.04 1wmj s PHE 87 CO 0.38 0.53 0.45 -0.89 0.70 0.00 0.00 175.22 176.39 1wmj n ILE 88 N 0.09 -0.84 -2.51 0.64 2.08 -1.02 -2.64 119.36 115.17 1wmj n ILE 88 Ca -0.11 -3.79 -0.43 0.00 0.56 0.00 0.00 62.75 58.98 1wmj n ILE 88 Cb 0.56 -1.83 -0.02 0.00 -0.75 0.00 0.00 39.64 37.60 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 -0.68 4.33 0.00 0.38 2.20 -1.26 -2.80 119.74 121.91 1wmj s LYS 89 Ca 0.34 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1wmj s LYS 89 Cb 0.11 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1wmj s LYS 89 CO -0.15 -0.50 0.00 -3.47 -0.36 0.00 0.00 175.35 170.87 1wmj n ASP 90 N 5.60 0.00 -0.13 1.43 2.03 -1.26 -3.64 116.55 120.58 1wmj n ASP 90 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1wmj n ASP 90 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.83 0.00 0.27 0.00 -1.12 -4.84 105.19 98.33 1wmj n GLY 91 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.41 0.98 -3.15 4.61 0.00 -1.24 -5.11 120.51 116.19 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 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 0.07 -0.02 0.00 2.12 -1.26 -4.72 118.70 114.89 1wmj s GLU 93 Ca 0.00 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.44 1wmj s GLU 93 Cb 0.00 0.04 -0.25 0.00 0.26 0.00 0.00 34.13 34.18 1wmj s GLU 93 CO 0.00 -0.11 0.78 0.00 -0.54 0.00 0.00 175.26 175.39 1wmj h ALA 94 N 7.44 0.46 0.00 6.30 0.00 -1.76 -3.45 119.26 128.25 1wmj h ALA 94 Ca -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1wmj h ALA 94 Cb 1.17 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1wmj h ALA 94 CO -0.16 1.32 0.00 -0.25 0.00 0.00 0.00 179.25 180.15 1wmj n ASP 95 N -3.32 0.00 -4.33 0.00 8.00 -1.25 -5.01 116.55 110.64 1wmj n ASP 95 Ca -0.17 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.16 1wmj n ASP 95 Cb 1.03 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.03 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 -1.96 1.46 0.00 -1.24 0.00 -1.26 0.18 119.74 116.91 1wmj s LYS 96 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 55.97 54.18 1wmj s LYS 96 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 37.83 37.47 1wmj s LYS 96 CO 0.00 -0.28 0.00 0.28 0.00 0.00 0.00 175.35 175.35 1wmj n VAL 97 N -0.51 0.00 0.00 1.79 0.31 -1.26 -4.91 118.33 113.76 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 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 -1.50 2.52 0.31 -1.26 -4.47 118.33 113.92 1wmj n VAL 98 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 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 -1.03 4.50 0.21 2.92 0.00 0.77 -3.80 105.19 108.75 1wmj n GLY 99 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.64 1.42 -3.91 4.61 0.00 -1.26 -4.77 120.51 117.24 1wmj n ALA 100 Ca 0.49 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 1wmj n ALA 100 Cb 0.52 -0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.76 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 1.50 0.00 0.00 3.00 -1.25 -4.97 118.95 117.23 1wmj s ARG 101 Ca 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 55.73 54.96 1wmj s ARG 101 Cb 0.00 -2.49 0.53 0.00 0.00 0.00 0.00 34.95 32.99 1wmj s ARG 101 CO 0.00 -0.59 1.36 1.17 0.00 0.00 0.00 175.30 177.24 1wmj n LYS 102 N 4.73 1.25 0.00 3.54 0.00 -1.26 -2.45 118.16 123.97 1wmj n LYS 102 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 58.31 57.81 1wmj n LYS 102 Cb 0.45 -1.20 0.00 0.00 0.00 0.00 0.00 35.03 34.27 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 -0.30 0.12 -0.00 3.14 2.03 -1.26 -4.71 116.55 115.57 1wmj n ASP 103 Ca 0.09 -0.45 0.06 0.00 0.52 0.00 0.00 54.79 55.01 1wmj n ASP 103 Cb 0.12 0.55 -0.09 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.55 2.00 0.00 1.67 2.03 -1.19 -4.38 116.55 116.13 1wmj n ASP 104 Ca 0.00 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1wmj n ASP 104 Cb 0.01 1.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.91 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 -1.85 1.55 0.28 -2.67 7.94 -1.02 -2.80 117.00 118.42 1wmj n LEU 105 Ca -0.02 0.26 0.08 0.00 -1.11 0.00 0.00 56.01 55.22 1wmj n LEU 105 Cb 0.31 -0.22 0.45 0.00 0.53 0.00 0.00 43.42 44.49 1wmj n LEU 105 CO 0.26 -0.22 0.99 0.06 -1.11 0.00 0.00 177.39 177.36 1wmj h GLN 106 N 0.00 0.00 0.10 1.96 -0.00 -1.84 0.93 115.11 116.26 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 -1.20 -0.97 -0.00 0.00 0.00 178.83 176.66 1wmj h ASN 107 N 0.00 0.32 0.23 0.06 -1.24 -1.76 -3.16 115.58 110.02 1wmj h ASN 107 Ca 0.00 -0.35 -0.33 0.00 0.71 0.00 0.00 56.30 56.34 1wmj h ASN 107 Cb 1.02 -0.10 0.03 0.00 0.73 0.00 0.00 38.32 40.00 1wmj h ASN 107 CO 0.00 1.27 -1.50 0.74 -1.29 0.00 0.00 177.43 176.66 1wmj h THR 108 N 0.06 1.20 0.00 -3.57 2.02 0.10 -3.23 112.91 109.49 1wmj h THR 108 Ca -0.11 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 64.44 1wmj h THR 108 Cb 1.93 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 71.31 1wmj h THR 108 CO 0.18 0.81 -0.03 0.40 0.37 0.00 0.00 175.52 177.26 1wmj h ILE 109 N 0.08 0.66 0.00 3.11 5.03 -1.40 -0.94 117.51 124.05 1wmj h ILE 109 Ca -0.27 -0.11 -0.18 0.00 -0.12 0.00 0.00 64.86 64.17 1wmj h ILE 109 Cb 2.10 1.07 -0.03 0.00 -3.03 0.00 0.00 36.82 36.93 1wmj h ILE 109 CO 0.23 0.03 -0.88 -0.37 -0.68 0.00 0.00 178.15 176.48 1wmj h VAL 110 N 0.00 1.60 0.00 1.67 -1.51 -1.61 1.16 116.25 117.55 1wmj h VAL 110 Ca -0.00 -3.05 -0.17 0.00 -1.23 0.00 0.00 66.70 62.26 1wmj h VAL 110 Cb 0.06 2.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 1wmj h VAL 110 CO 0.00 0.86 -0.82 0.07 -1.23 0.00 0.00 177.57 176.45 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -1.24 0.23 116.57 122.85 1wmj h LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 58.22 1wmj h LYS 111 Cb 1.59 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.85 1wmj h LYS 111 CO 0.11 0.77 -2.44 0.72 -2.00 0.00 0.00 179.45 176.61 1wmj n HIS 112 N -3.28 0.00 -0.05 0.07 8.25 -0.57 -4.11 115.22 115.53 1wmj n HIS 112 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1wmj n HIS 112 Cb 0.86 -0.94 -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 -3.97 1.55 0.19 1.59 0.31 0.36 -4.19 118.33 114.18 1wmj n VAL 113 Ca -0.50 -0.79 0.08 0.00 -0.01 0.00 0.00 64.34 63.12 1wmj n VAL 113 Cb 0.88 -0.93 0.27 0.00 -0.91 0.00 0.00 33.84 33.15 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 3.37 0.00 -0.60 2.92 0.00 0.14 -3.45 103.07 105.45 1wmj h GLY 114 Ca -0.40 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 1wmj h GLY 114 CO 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.45 1wmj n ALA 115 N -2.20 -0.11 0.00 3.60 0.00 0.63 -4.53 120.51 117.89 1wmj n ALA 115 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wmj n ALA 115 Cb 0.55 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.75 0.00 -2.95 0.00 -2.24 -1.02 -5.04 114.28 101.28 1wmj n THR 116 Ca -0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1wmj n THR 116 Cb 0.44 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.17 -2.91 -0.91 6.98 0.00 -0.57 -4.74 120.51 117.18 1wmj n ALA 117 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 53.44 53.79 1wmj n ALA 117 Cb 0.15 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.72 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 0.44 5.71 -3.22 0.00 0.00 -1.26 -4.49 120.51 117.69 1wmj n ALA 118 Ca 0.02 -2.17 -0.01 0.00 0.00 0.00 0.00 53.44 51.29 1wmj n ALA 118 Cb 0.31 -2.80 -0.02 0.00 0.00 0.00 0.00 19.45 16.95 1wmj n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj s SER 119 N 2.55 -1.28 0.42 0.00 0.15 -1.26 -5.08 113.70 109.20 1wmj s SER 119 Ca 0.53 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1wmj s SER 119 Cb 0.19 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.33 1wmj s SER 119 CO -0.03 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.24 1wmj n ALA 120 N 4.38 -3.50 0.00 5.45 0.00 -1.26 -4.97 120.51 120.61 1wmj n ALA 120 Ca 0.11 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1wmj n ALA 120 Cb 0.56 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -4.27 0.33 0.00 0.00 2.88 -1.26 -5.00 113.62 106.30 1wmj n SER 121 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1wmj n SER 121 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81