#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 0.53 0.30 -5.12 0.00 -1.26 -4.81 120.51 110.15 1wmj n ALA 2 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.38 1wmj n ALA 2 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1wmj n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj h ALA 3 N 0.00 1.62 -0.18 0.00 0.00 -2.06 -3.29 119.26 115.35 1wmj h ALA 3 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1wmj h ALA 3 Cb 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.05 1wmj h ALA 3 CO 0.00 -0.62 -0.10 -2.00 0.00 0.00 0.00 179.25 176.53 1wmj s GLU 4 N -3.87 0.16 0.00 0.00 2.12 -1.26 -4.92 118.70 110.93 1wmj s GLU 4 Ca -0.01 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1wmj s GLU 4 Cb 0.04 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1wmj s GLU 4 CO 0.12 -0.22 0.00 0.39 -0.54 0.00 0.00 175.26 175.01 1wmj n GLU 5 N 3.36 3.25 -0.22 4.30 -0.58 -1.24 -4.93 120.64 124.58 1wmj n GLU 5 Ca 0.07 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1wmj n GLU 5 Cb 0.64 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.58 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 2.02 3.46 0.62 0.00 -1.26 -4.82 105.19 110.21 1wmj n GLY 6 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 0.14 0.00 -1.53 1.61 0.24 -1.26 -3.97 118.33 113.56 1wmj n VAL 7 Ca 0.08 -1.76 -0.27 0.00 -2.04 0.00 0.00 64.34 60.35 1wmj n VAL 7 Cb 0.54 -0.48 -0.11 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.04 -0.02 -0.95 3.34 0.24 -1.24 -4.81 118.33 112.85 1wmj n VAL 8 Ca 0.12 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.34 61.56 1wmj n VAL 8 Cb 0.54 -1.47 0.06 0.00 -1.47 0.00 0.00 33.84 31.49 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 7.59 0.00 -3.02 1.34 2.08 -1.26 -4.38 119.36 121.71 1wmj n ILE 9 Ca 0.53 -0.19 -0.19 0.00 0.56 0.00 0.00 62.75 63.46 1wmj n ILE 9 Cb 0.32 -0.11 -0.02 0.00 -0.75 0.00 0.00 39.64 39.07 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 -3.33 2.90 -0.90 -1.39 0.00 -1.24 0.24 120.51 116.79 1wmj n ALA 10 Ca -0.01 -3.66 -0.35 0.00 0.00 0.00 0.00 53.44 49.42 1wmj n ALA 10 Cb 0.67 -0.87 0.08 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.18 -0.50 0.00 0.00 1.44 -1.26 -4.15 115.22 107.57 1wmj n HIS 12 Ca 0.01 -0.54 0.00 0.00 -2.01 0.00 0.00 57.72 55.18 1wmj n HIS 12 Cb 0.59 0.70 0.00 0.00 0.12 0.00 0.00 29.99 31.40 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 -0.37 0.00 0.00 4.39 2.04 -1.26 -4.92 115.26 115.14 1wmj n ASN 13 Ca -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.03 1wmj n ASN 13 Cb 0.58 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.83 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 -0.20 -3.83 4.81 -1.26 -4.31 118.16 113.37 1wmj n LYS 14 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.63 1wmj n LYS 14 Cb 0.00 0.00 0.33 0.00 0.02 0.00 0.00 35.03 35.38 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 0.97 0.17 0.07 3.14 -0.08 -1.26 0.31 116.55 119.87 1wmj n ASP 15 Ca 0.00 0.86 -0.22 0.00 -1.51 0.00 0.00 54.79 53.91 1wmj n ASP 15 Cb 0.00 -0.42 -0.15 0.00 2.34 0.00 0.00 41.12 42.89 1wmj n ASP 15 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1wmj h GLU 16 N 0.00 0.37 -0.88 -0.67 5.08 -1.97 -3.20 114.58 113.31 1wmj h GLU 16 Ca 0.46 -0.64 0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1wmj h GLU 16 Cb 1.31 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 30.71 1wmj h GLU 16 CO -0.37 1.30 0.49 0.35 -1.00 0.00 0.00 179.01 179.79 1wmj h PHE 17 N -0.15 0.87 -0.42 4.33 3.04 0.46 -1.32 116.94 123.75 1wmj h PHE 17 Ca -0.24 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.68 1wmj h PHE 17 Cb 1.88 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 40.12 1wmj h PHE 17 CO 0.15 0.27 -0.00 -0.44 -2.02 0.00 0.00 178.31 176.27 1wmj h ASP 18 N 0.74 0.73 -1.05 0.41 3.32 -1.23 -2.27 116.42 117.07 1wmj h ASP 18 Ca 0.46 -0.31 0.30 0.00 0.02 0.00 0.00 57.03 57.51 1wmj h ASP 18 Cb 0.57 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1wmj h ASP 18 CO -0.32 0.86 1.19 0.00 -1.72 0.00 0.00 179.24 179.25 1wmj n ALA 19 N -2.41 1.00 -0.10 3.45 0.00 -0.50 -0.74 120.51 121.22 1wmj n ALA 19 Ca -0.00 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 1wmj n ALA 19 Cb 0.29 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 1wmj n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wmj n GLN 20 N -3.20 0.44 0.31 0.00 3.00 -1.08 -3.82 117.38 113.03 1wmj n GLN 20 Ca 0.24 0.19 0.10 0.00 -0.01 0.00 0.00 57.00 57.52 1wmj n GLN 20 Cb 1.50 -1.24 0.52 0.00 0.00 0.00 0.00 30.24 31.02 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 -0.75 0.00 0.00 -1.09 2.86 -0.42 1.04 114.93 116.57 1wmj h MET 21 Ca -0.45 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.05 1wmj h MET 21 Cb 1.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 1wmj h MET 21 CO -0.27 0.00 -2.12 2.41 1.06 0.00 0.00 176.91 177.99 1wmj n THR 22 N -2.79 0.55 0.61 2.22 -1.04 0.08 -4.25 114.28 109.67 1wmj n THR 22 Ca -0.00 -0.64 -0.02 0.00 -2.04 0.00 0.00 64.05 61.35 1wmj n THR 22 Cb 0.63 -0.19 0.05 0.00 -1.82 0.00 0.00 70.33 69.00 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 -2.46 1.46 0.00 -2.82 5.02 0.36 -3.57 118.16 116.15 1wmj n LYS 23 Ca -0.15 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 1wmj n LYS 23 Cb 0.79 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 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 0.16 2.14 -0.06 7.82 0.00 -1.16 -4.51 120.51 124.89 1wmj n ALA 24 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1wmj n ALA 24 Cb 0.59 0.28 -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 0.38 -0.09 0.00 2.10 -1.74 0.32 116.57 117.54 1wmj h LYS 25 Ca 0.00 -0.17 -0.07 0.00 -2.00 0.00 0.00 60.65 58.41 1wmj h LYS 25 Cb 0.57 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1wmj h LYS 25 CO 0.00 0.70 -0.22 1.05 -2.00 0.00 0.00 179.45 178.97 1wmj h GLU 26 N 0.06 0.32 0.00 0.07 4.11 -1.88 -3.16 114.58 114.09 1wmj h GLU 26 Ca 0.04 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 59.19 1wmj h GLU 26 Cb 0.59 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1wmj h GLU 26 CO 0.03 0.82 -0.29 0.00 0.07 0.00 0.00 179.01 179.64 1wmj h ALA 27 N 0.50 1.33 -0.41 1.06 0.00 -1.79 -3.47 119.26 116.48 1wmj h ALA 27 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wmj h ALA 27 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wmj h ALA 27 CO 0.05 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1wmj n GLY 28 N -0.47 0.94 3.38 0.00 0.00 0.61 -5.03 105.19 104.62 1wmj n GLY 28 Ca -0.02 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.28 1.43 0.82 1.61 -2.85 0.82 -5.02 119.74 113.27 1wmj s LYS 29 Ca 0.00 -1.61 -0.11 0.00 -1.00 0.00 0.00 55.97 53.25 1wmj s LYS 29 Cb 0.00 -1.37 0.08 0.00 -2.06 0.00 0.00 37.83 34.48 1wmj s LYS 29 CO 0.00 0.25 1.09 0.08 0.10 0.00 0.00 175.35 176.87 1wmj s VAL 30 N -2.63 3.09 0.12 1.79 1.01 -0.71 -4.36 120.40 118.70 1wmj s VAL 30 Ca 0.23 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1wmj s VAL 30 Cb -0.03 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1wmj s VAL 30 CO 0.09 -0.46 -0.25 -0.69 0.00 0.00 0.00 175.10 173.79 1wmj s VAL 31 N -2.95 2.35 -0.31 2.92 1.01 -1.23 -2.21 120.40 119.98 1wmj s VAL 31 Ca 0.62 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1wmj s VAL 31 Cb -0.17 -2.03 0.12 0.00 0.00 0.00 0.00 36.38 34.30 1wmj s VAL 31 CO 0.56 0.13 0.22 -0.63 0.00 0.00 0.00 175.10 175.38 1wmj s ILE 32 N -1.04 -0.17 -0.20 2.22 1.09 -1.26 -2.63 121.20 119.21 1wmj s ILE 32 Ca 0.14 -0.85 -0.12 0.00 -1.10 0.00 0.00 60.65 58.72 1wmj s ILE 32 Cb -0.10 -0.97 -0.05 0.00 -1.06 0.00 0.00 42.46 40.28 1wmj s ILE 32 CO 0.06 -0.67 0.21 -0.63 -0.10 0.00 0.00 174.94 173.81 1wmj s ILE 33 N 1.95 5.35 -0.93 2.92 1.09 0.12 -0.99 121.20 130.70 1wmj s ILE 33 Ca 0.11 0.35 -0.12 0.00 -1.10 0.00 0.00 60.65 59.89 1wmj s ILE 33 Cb -0.16 -3.55 0.24 0.00 -1.06 0.00 0.00 42.46 37.92 1wmj s ILE 33 CO -0.26 0.38 0.90 -0.62 -0.10 0.00 0.00 174.94 175.24 1wmj s ASP 34 N 0.62 6.96 0.79 3.58 2.15 0.21 -0.63 116.67 130.35 1wmj s ASP 34 Ca 0.11 -2.99 0.00 0.00 0.43 0.00 0.00 52.55 50.10 1wmj s ASP 34 Cb -0.13 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1wmj s ASP 34 CO 0.02 -0.49 0.00 0.49 -0.17 0.00 0.00 175.17 175.02 1wmj n PHE 35 N 3.61 -1.81 0.00 -5.34 3.72 -0.56 -2.59 117.46 114.49 1wmj n PHE 35 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1wmj n PHE 35 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.57 0.00 0.00 4.37 5.66 -0.75 -3.98 114.28 117.00 1wmj n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wmj n THR 36 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wmj n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmj n ALA 37 N -0.32 -0.04 0.00 1.79 0.00 -1.26 -0.99 120.51 119.70 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 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.79 0.00 -0.04 0.00 2.88 -1.26 -4.24 113.62 110.16 1wmj n SER 38 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1wmj n SER 38 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.81 0.00 -2.23 0.66 2.14 -1.26 -4.95 117.44 110.98 1wmj n TRP 39 Ca 0.00 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1wmj n TRP 39 Cb 0.00 -0.42 -0.02 0.00 -0.81 0.00 0.00 31.31 30.06 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 4.66 2.37 0.07 0.00 0.00 -1.26 -4.39 105.19 106.64 1wmj n GLY 41 Ca 0.18 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.05 -6.98 1.61 0.13 -1.89 -3.47 132.00 121.36 1wmj h PRO 42 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1wmj h PRO 42 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.88 1wmj h PRO 42 CO 0.00 0.43 -0.90 0.00 -0.23 0.00 0.00 178.00 177.30 1wmj n ARG 44 N -4.30 0.00 0.09 0.00 1.74 -1.26 -4.71 116.66 108.22 1wmj n ARG 44 Ca -0.03 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.82 1wmj n ARG 44 Cb 0.54 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.84 1wmj n ARG 44 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1wmj h PHE 45 N 0.00 0.89 -0.53 -1.55 3.57 -2.01 -3.32 116.94 114.00 1wmj h PHE 45 Ca 0.00 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 60.91 1wmj h PHE 45 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1wmj h PHE 45 CO 0.00 1.44 0.00 1.51 -2.23 0.00 0.00 178.31 179.03 1wmj n ILE 46 N -3.88 1.00 0.17 1.41 3.06 -1.26 -4.61 119.36 115.25 1wmj n ILE 46 Ca -0.14 -1.00 -0.14 0.00 -2.50 0.00 0.00 62.75 58.97 1wmj n ILE 46 Cb 0.96 0.50 -0.07 0.00 0.54 0.00 0.00 39.64 41.58 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 3.08 -0.57 0.00 1.51 0.00 -1.84 -1.00 119.26 120.43 1wmj h ALA 47 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wmj h ALA 47 Cb 0.85 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.06 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 -0.14 0.00 -0.04 -1.26 -2.93 135.00 125.72 1wmj n PRO 48 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1wmj n PRO 48 Cb 0.31 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.74 1.52 0.00 0.52 0.31 -0.43 -4.05 118.33 115.45 1wmj n VAL 49 Ca 0.06 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1wmj n VAL 49 Cb 0.03 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 -4.04 0.00 -0.26 3.52 3.72 -0.89 -0.55 117.46 118.96 1wmj n PHE 50 Ca -0.53 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 56.90 1wmj n PHE 50 Cb 0.91 -0.42 0.11 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 0.59 -0.36 4.37 0.00 -1.85 0.61 119.26 120.63 1wmj h ALA 51 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 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 -0.42 0.15 1.05 0.00 0.00 0.00 179.25 180.03 1wmj h GLU 52 N 0.03 0.50 -0.21 0.00 4.11 -1.70 -2.67 114.58 114.63 1wmj h GLU 52 Ca 0.38 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.68 1wmj h GLU 52 Cb 0.61 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wmj h GLU 52 CO -0.74 0.41 -0.16 1.88 0.07 0.00 0.00 179.01 180.47 1wmj h TYR 53 N 0.50 0.57 -0.95 2.06 -1.99 0.27 -2.08 116.97 115.35 1wmj h TYR 53 Ca 0.13 -0.16 0.30 0.00 2.00 0.00 0.00 58.73 60.99 1wmj h TYR 53 Cb 0.09 -0.12 -0.16 0.00 2.00 0.00 0.00 36.73 38.54 1wmj h TYR 53 CO 0.00 0.80 0.32 0.00 -0.00 0.00 0.00 178.16 179.29 1wmj h ALA 54 N 0.68 1.57 0.17 3.88 0.00 -0.55 0.19 119.26 125.19 1wmj h ALA 54 Ca 0.04 0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1wmj h ALA 54 Cb 0.68 0.35 0.03 0.00 0.00 0.00 0.00 17.79 18.85 1wmj h ALA 54 CO 0.04 -0.61 -0.97 0.87 0.00 0.00 0.00 179.25 178.58 1wmj h LYS 55 N 0.15 0.36 -0.62 0.00 1.57 -1.57 -3.28 116.57 113.18 1wmj h LYS 55 Ca 0.66 -0.61 0.18 0.00 -1.87 0.00 0.00 60.65 59.01 1wmj h LYS 55 Cb 1.48 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 1wmj h LYS 55 CO -0.73 1.29 0.46 0.87 -0.57 0.00 0.00 179.45 180.78 1wmj h LYS 56 N -0.25 0.00 -3.54 3.15 1.57 -0.10 -3.24 116.57 114.15 1wmj h LYS 56 Ca -0.17 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.91 1wmj h LYS 56 Cb 1.77 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.73 1wmj h LYS 56 CO 0.18 0.00 -0.31 -0.06 -0.57 0.00 0.00 179.45 178.69 1wmj s PHE 57 N -4.96 3.46 -1.41 -1.35 0.08 0.39 -4.91 117.98 109.28 1wmj s PHE 57 Ca -0.05 -2.73 0.15 0.00 0.12 0.00 0.00 56.93 54.42 1wmj s PHE 57 Cb 0.20 -3.23 0.74 0.00 -0.57 0.00 0.00 43.02 40.16 1wmj s PHE 57 CO 0.72 -0.83 1.41 -0.35 -0.10 0.00 0.00 175.22 176.07 1wmj n PRO 58 N 3.36 0.20 -0.43 0.24 -0.04 -1.23 -2.67 135.00 134.43 1wmj n PRO 58 Ca 0.10 0.15 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1wmj n PRO 58 Cb 0.38 -1.50 0.21 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 2.01 3.36 0.55 0.00 -1.26 -4.89 105.19 104.93 1wmj n GLY 59 Ca 0.07 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.86 0.28 -0.21 4.61 0.00 -1.09 -1.74 121.76 121.76 1wmj s ALA 60 Ca 0.29 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 51.23 1wmj s ALA 60 Cb 0.21 1.05 -0.20 0.00 0.00 0.00 0.00 23.12 24.18 1wmj s ALA 60 CO 0.11 -0.68 -0.05 1.33 0.00 0.00 0.00 175.76 176.47 1wmj n VAL 61 N -0.27 1.34 -1.29 0.00 0.24 -0.94 -4.94 118.33 112.48 1wmj n VAL 61 Ca -0.03 -0.69 0.14 0.00 -2.04 0.00 0.00 64.34 61.72 1wmj n VAL 61 Cb 0.63 -0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.91 -3.18 0.00 6.34 3.01 -1.26 -4.68 117.46 114.78 1wmj n PHE 62 Ca -0.36 1.76 0.00 0.00 1.01 0.00 0.00 57.45 59.86 1wmj n PHE 62 Cb 1.05 -2.89 0.00 0.00 -0.01 0.00 0.00 39.48 37.63 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 -4.12 0.00 -4.07 4.37 7.94 -0.16 -4.17 117.00 116.79 1wmj n LEU 63 Ca -0.08 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.55 1wmj n LEU 63 Cb 0.57 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.35 1wmj n LEU 63 CO 0.03 0.00 -0.49 -0.75 -1.11 0.00 0.00 177.39 175.07 1wmj s LYS 64 N -2.00 2.10 0.31 1.96 2.20 0.66 0.67 119.74 125.65 1wmj s LYS 64 Ca 0.00 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1wmj s LYS 64 Cb 0.00 -1.72 -0.06 0.00 -1.51 0.00 0.00 37.83 34.54 1wmj s LYS 64 CO 0.00 0.02 -0.00 0.14 -0.36 0.00 0.00 175.35 175.14 1wmj s VAL 65 N 0.74 1.50 -0.19 4.02 -7.23 -1.07 0.22 120.40 118.39 1wmj s VAL 65 Ca -0.12 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 57.96 1wmj s VAL 65 Cb -0.16 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 1wmj s VAL 65 CO 0.03 -0.15 -0.08 -0.62 -0.31 0.00 0.00 175.10 173.96 1wmj s ASP 66 N -3.49 4.16 -0.05 4.85 -1.08 -1.26 -3.61 116.67 116.19 1wmj s ASP 66 Ca 0.33 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 1wmj s ASP 66 Cb 0.06 -1.68 0.06 0.00 -1.46 0.00 0.00 42.92 39.90 1wmj s ASP 66 CO 0.14 0.05 1.31 1.33 0.52 0.00 0.00 175.17 178.52 1wmj n VAL 67 N 4.33 1.45 0.00 1.11 0.24 -0.16 -2.89 118.33 122.41 1wmj n VAL 67 Ca -0.18 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1wmj n VAL 67 Cb 0.51 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 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 0.55 3.91 -0.03 -1.34 2.03 -1.26 -4.27 116.55 116.14 1wmj n ASP 68 Ca 0.06 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.33 1wmj n ASP 68 Cb 0.59 0.78 -0.04 0.00 -0.72 0.00 0.00 41.12 41.73 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 -1.18 2.04 -0.62 -0.67 0.28 -1.18 -4.73 120.64 114.57 1wmj n GLU 69 Ca 0.00 0.01 0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1wmj n GLU 69 Cb 0.01 -1.16 0.09 0.00 1.43 0.00 0.00 31.44 31.81 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 -2.40 1.47 -0.40 -1.84 -0.00 -1.14 -4.86 117.00 107.84 1wmj n LEU 70 Ca -0.11 -2.44 0.31 0.00 -0.00 0.00 0.00 56.01 53.77 1wmj n LEU 70 Cb 0.68 -0.24 0.51 0.00 -0.00 0.00 0.00 43.42 44.37 1wmj n LEU 70 CO 0.11 0.69 0.91 2.29 -0.00 0.00 0.00 177.39 181.39 1wmj n LYS 71 N -0.54 -0.01 -0.27 1.47 2.85 -1.25 0.26 118.16 120.67 1wmj n LYS 71 Ca 0.10 0.80 0.29 0.00 -1.05 0.00 0.00 58.31 58.45 1wmj n LYS 71 Cb 0.78 -1.69 0.45 0.00 -0.65 0.00 0.00 35.03 33.92 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 -3.71 0.01 0.07 -1.58 0.28 -1.26 0.25 120.64 114.70 1wmj n GLU 72 Ca 0.29 0.93 -0.22 0.00 -0.16 0.00 0.00 57.16 58.00 1wmj n GLU 72 Cb 1.21 -2.29 -0.15 0.00 1.43 0.00 0.00 31.44 31.64 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 1.21 0.00 3.84 2.07 -0.60 -3.29 116.25 119.49 1wmj h VAL 73 Ca 0.52 -2.54 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 1wmj h VAL 73 Cb 2.79 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 35.50 1wmj h VAL 73 CO -0.01 0.77 -0.23 0.00 0.02 0.00 0.00 177.57 178.12 1wmj h ALA 74 N 0.07 1.03 0.00 1.67 0.00 0.31 -2.66 119.26 119.67 1wmj h ALA 74 Ca -0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wmj h ALA 74 Cb 1.91 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1wmj h ALA 74 CO 0.17 0.29 -0.00 0.93 0.00 0.00 0.00 179.25 180.63 1wmj h GLU 75 N 0.00 0.00 0.03 0.00 4.39 -0.98 0.17 114.58 118.19 1wmj h GLU 75 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1wmj h GLU 75 Cb 0.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1wmj h GLU 75 CO 0.03 0.00 -1.49 1.57 -1.16 0.00 0.00 179.01 177.96 1wmj h LYS 76 N 0.00 0.06 0.00 2.33 2.10 -1.54 -3.33 116.57 116.18 1wmj h LYS 76 Ca -0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1wmj h LYS 76 Cb 0.69 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1wmj h LYS 76 CO 0.00 0.79 -1.11 0.66 -2.00 0.00 0.00 179.45 177.78 1wmj n TYR 77 N -3.23 0.33 -2.31 0.07 4.01 -1.16 -5.02 117.16 109.86 1wmj n TYR 77 Ca -0.13 0.10 -0.01 0.00 -0.16 0.00 0.00 57.90 57.70 1wmj n TYR 77 Cb 1.02 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -2.08 -5.11 -0.10 7.72 4.05 0.54 -5.00 115.26 115.27 1wmj n ASN 78 Ca 0.01 0.02 -0.11 0.00 0.45 0.00 0.00 54.58 54.95 1wmj n ASN 78 Cb 0.46 -3.31 -0.15 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 -1.23 1.38 0.00 3.44 0.24 -0.89 -5.02 118.33 116.25 1wmj n VAL 79 Ca 0.01 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1wmj n VAL 79 Cb 0.45 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 -2.84 0.00 0.00 7.34 -0.58 -1.26 -4.51 120.64 118.78 1wmj n GLU 80 Ca -0.35 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 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 0.00 0.62 0.00 -1.26 -5.01 120.51 114.86 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 -0.21 0.00 0.00 -1.26 -4.60 117.12 111.05 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 -0.16 0.49 -1.76 3.17 -0.04 -1.26 -1.81 135.00 133.64 1wmj n PRO 83 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1wmj n PRO 83 Cb 0.00 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 1wmj n PRO 83 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1wmj s THR 84 N 0.94 3.14 -0.49 0.52 2.01 -1.26 0.27 115.64 120.78 1wmj s THR 84 Ca 0.00 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 1wmj s THR 84 Cb 0.00 -3.13 -0.21 0.00 0.01 0.00 0.00 72.50 69.17 1wmj s THR 84 CO 0.00 -0.02 3.36 0.49 -0.69 0.00 0.00 174.62 177.76 1wmj n PHE 85 N 7.35 0.72 -1.42 4.92 3.72 -1.25 -1.49 117.46 130.02 1wmj n PHE 85 Ca 0.19 -1.94 -0.48 0.00 -0.05 0.00 0.00 57.45 55.17 1wmj n PHE 85 Cb 0.41 -1.84 -0.03 0.00 -0.94 0.00 0.00 39.48 37.08 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 2.85 -0.93 -4.44 4.37 -0.00 0.19 -4.03 117.00 115.00 1wmj n LEU 86 Ca 0.53 1.14 -0.30 0.00 -0.00 0.00 0.00 56.01 57.37 1wmj n LEU 86 Cb 0.69 -0.98 -0.13 0.00 -0.00 0.00 0.00 43.42 43.00 1wmj n LEU 86 CO 0.35 -2.82 -0.51 -0.36 -0.00 0.00 0.00 177.39 174.05 1wmj s PHE 87 N -0.99 2.51 -0.52 1.96 0.40 0.45 0.15 117.98 121.93 1wmj s PHE 87 Ca 0.64 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.74 1wmj s PHE 87 Cb -0.91 -1.42 0.21 0.00 0.51 0.00 0.00 43.02 41.40 1wmj s PHE 87 CO 0.56 0.26 0.50 -0.89 0.70 0.00 0.00 175.22 176.36 1wmj n ILE 88 N 1.41 0.29 -2.54 0.64 2.08 -1.08 -1.80 119.36 118.37 1wmj n ILE 88 Ca -0.16 -4.27 -0.43 0.00 0.56 0.00 0.00 62.75 58.45 1wmj n ILE 88 Cb 0.52 -1.94 -0.02 0.00 -0.75 0.00 0.00 39.64 37.44 1wmj n ILE 88 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1wmj s LYS 89 N -1.11 4.31 0.00 0.38 2.20 -1.26 -2.89 119.74 121.37 1wmj s LYS 89 Ca 0.33 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 1wmj s LYS 89 Cb 0.07 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1wmj s LYS 89 CO -0.13 -0.53 0.00 -3.47 -0.36 0.00 0.00 175.35 170.86 1wmj n ASP 90 N 5.78 0.00 -0.03 1.43 -0.08 -1.26 -3.65 116.55 118.74 1wmj n ASP 90 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1wmj n ASP 90 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wmj n GLY 91 N -2.00 0.83 0.00 0.27 0.00 -1.14 -4.82 105.19 98.33 1wmj n GLY 91 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.10 0.85 -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 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 0.13 -0.10 0.00 2.12 -1.26 -4.72 118.70 114.88 1wmj s GLU 93 Ca 0.00 0.22 0.11 0.00 0.36 0.00 0.00 54.97 55.66 1wmj s GLU 93 Cb 0.00 0.12 -0.24 0.00 0.26 0.00 0.00 34.13 34.27 1wmj s GLU 93 CO 0.00 -0.15 0.45 0.00 -0.54 0.00 0.00 175.26 175.02 1wmj n ALA 94 N 5.44 1.41 0.00 6.30 0.00 -0.74 -4.78 120.51 128.14 1wmj n ALA 94 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1wmj n ALA 94 Cb 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.05 0.00 -2.29 0.00 9.92 -1.25 -5.00 116.55 114.88 1wmj n ASP 95 Ca -0.24 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 53.96 1wmj n ASP 95 Cb 1.07 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.54 1wmj n ASP 95 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wmj n LYS 96 N -1.13 1.25 0.00 -1.24 4.01 -1.26 0.17 118.16 119.96 1wmj n LYS 96 Ca 0.00 -0.82 0.00 0.00 -0.51 0.00 0.00 58.31 56.98 1wmj n LYS 96 Cb 0.00 0.34 0.00 0.00 -0.51 0.00 0.00 35.03 34.86 1wmj n LYS 96 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1wmj n VAL 97 N -0.25 0.00 0.00 -0.18 0.31 -1.26 -4.89 118.33 112.07 1wmj n VAL 97 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1wmj n VAL 97 Cb 0.14 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.31 2.52 0.31 -1.26 -4.51 118.33 114.09 1wmj n VAL 98 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1wmj n VAL 98 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.19 4.62 0.09 2.92 0.00 0.76 -3.80 105.19 108.59 1wmj n GLY 99 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.27 1.17 -3.90 4.61 0.00 -1.26 -4.54 120.51 116.86 1wmj n ALA 100 Ca 0.45 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1wmj n ALA 100 Cb 0.54 -0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1wmj n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wmj s ARG 101 N 0.00 1.50 0.00 0.00 3.00 -1.25 -4.98 118.95 117.22 1wmj s ARG 101 Ca 0.00 -0.60 0.11 0.00 0.00 0.00 0.00 55.73 55.24 1wmj s ARG 101 Cb 0.00 -2.12 0.46 0.00 0.00 0.00 0.00 34.95 33.28 1wmj s ARG 101 CO 0.00 -0.46 1.33 1.17 0.00 0.00 0.00 175.30 177.34 1wmj n LYS 102 N 4.84 1.44 0.00 3.54 0.00 -1.26 -2.70 118.16 124.01 1wmj n LYS 102 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 58.31 57.52 1wmj n LYS 102 Cb 0.47 -1.23 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 -0.02 0.09 -0.02 3.14 2.03 -1.26 -4.66 116.55 115.85 1wmj n ASP 103 Ca 0.10 -0.51 0.03 0.00 0.52 0.00 0.00 54.79 54.93 1wmj n ASP 103 Cb 0.18 0.82 -0.10 0.00 -0.72 0.00 0.00 41.12 41.30 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 -0.82 1.95 0.00 1.67 2.03 -1.21 -4.37 116.55 115.80 1wmj n ASP 104 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wmj n ASP 104 Cb 0.00 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 41.76 1wmj n ASP 104 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1wmj n LEU 105 N -2.12 1.65 0.28 -2.67 7.94 -1.10 -2.33 117.00 118.65 1wmj n LEU 105 Ca -0.08 0.26 0.10 0.00 -1.11 0.00 0.00 56.01 55.18 1wmj n LEU 105 Cb 0.53 -0.13 0.44 0.00 0.53 0.00 0.00 43.42 44.79 1wmj n LEU 105 CO 0.28 -0.13 1.09 0.06 -1.11 0.00 0.00 177.39 177.57 1wmj h GLN 106 N 0.00 0.00 0.10 1.96 -0.00 -1.84 1.14 115.11 116.46 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 0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1wmj h GLN 106 CO 0.00 0.00 -1.16 -0.97 -0.00 0.00 0.00 178.83 176.70 1wmj h ASN 107 N 0.00 0.49 0.21 0.06 -1.24 -1.76 -3.07 115.58 110.27 1wmj h ASN 107 Ca 0.05 -0.48 -0.27 0.00 0.71 0.00 0.00 56.30 56.31 1wmj h ASN 107 Cb 1.41 -0.16 0.03 0.00 0.73 0.00 0.00 38.32 40.34 1wmj h ASN 107 CO -0.00 1.34 -1.20 0.74 -1.29 0.00 0.00 177.43 177.02 1wmj h THR 108 N 0.13 1.38 0.00 -3.57 2.02 0.17 -3.16 112.91 109.87 1wmj h THR 108 Ca -0.13 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 64.42 1wmj h THR 108 Cb 1.86 3.11 -0.00 0.00 -1.74 0.00 0.00 68.15 71.38 1wmj h THR 108 CO 0.20 0.77 -0.03 0.40 0.37 0.00 0.00 175.52 177.22 1wmj h ILE 109 N -0.08 0.70 0.00 3.11 5.03 -1.33 -0.78 117.51 124.16 1wmj h ILE 109 Ca -0.21 -0.13 -0.19 0.00 -0.12 0.00 0.00 64.86 64.21 1wmj h ILE 109 Cb 1.94 1.08 -0.03 0.00 -3.03 0.00 0.00 36.82 36.78 1wmj h ILE 109 CO 0.22 0.03 -0.90 -0.37 -0.68 0.00 0.00 178.15 176.45 1wmj h VAL 110 N 0.00 1.60 0.00 1.67 -1.51 -1.59 1.08 116.25 117.50 1wmj h VAL 110 Ca -0.00 -3.14 -0.19 0.00 -1.23 0.00 0.00 66.70 62.14 1wmj h VAL 110 Cb 0.07 2.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.92 1wmj h VAL 110 CO 0.00 0.88 -0.94 0.07 -1.23 0.00 0.00 177.57 176.36 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -1.19 0.62 116.57 123.28 1wmj h LYS 111 Ca -0.01 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.20 1wmj h LYS 111 Cb 1.64 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.90 1wmj h LYS 111 CO 0.12 0.84 -2.51 0.72 -2.00 0.00 0.00 179.45 176.62 1wmj n HIS 112 N -3.29 0.00 -0.06 0.07 8.25 -0.42 -4.11 115.22 115.66 1wmj n HIS 112 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1wmj n HIS 112 Cb 0.90 -0.98 -0.15 0.00 1.12 0.00 0.00 29.99 30.88 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 -3.91 1.51 0.55 1.59 0.31 0.33 -4.17 118.33 114.54 1wmj n VAL 113 Ca -0.51 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.14 1wmj n VAL 113 Cb 0.92 -0.82 0.42 0.00 -0.91 0.00 0.00 33.84 33.44 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 3.54 0.00 -5.75 2.92 0.00 0.15 -3.45 103.07 100.49 1wmj h GLY 114 Ca -0.43 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.57 1wmj h GLY 114 CO 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.10 1wmj n ALA 115 N -1.81 -1.08 0.00 3.60 0.00 0.01 -4.43 120.51 116.81 1wmj n ALA 115 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wmj n ALA 115 Cb 0.39 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.53 0.00 -1.51 0.00 -2.24 -1.04 -5.05 114.28 100.90 1wmj n THR 116 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1wmj n THR 116 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.08 -2.49 -3.92 6.98 0.00 -0.61 -4.85 120.51 114.53 1wmj n ALA 117 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 1wmj n ALA 117 Cb 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.85 1wmj n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj s ALA 118 N -5.04 2.86 -0.03 0.00 0.00 -1.26 -4.94 121.76 113.35 1wmj s ALA 118 Ca 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 51.96 49.15 1wmj s ALA 118 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1wmj s ALA 118 CO 0.00 -1.88 0.03 0.43 0.00 0.00 0.00 175.76 174.34 1wmj n SER 119 N 3.71 -6.57 -4.43 0.00 7.64 -1.26 -4.98 113.62 107.72 1wmj n SER 119 Ca 0.05 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 60.05 1wmj n SER 119 Cb 0.37 -1.72 -0.12 0.00 -1.01 0.00 0.00 64.21 61.72 1wmj n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmj s ALA 120 N -1.05 2.52 -1.31 -0.43 0.00 -1.26 -4.66 121.76 115.57 1wmj s ALA 120 Ca 0.02 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.55 1wmj s ALA 120 Cb -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1wmj s ALA 120 CO 0.07 0.56 0.27 0.43 0.00 0.00 0.00 175.76 177.09 1wmj n SER 121 N 0.89 -5.05 -0.20 0.00 7.64 -1.26 -5.24 113.62 110.40 1wmj n SER 121 Ca -0.17 -0.13 0.15 0.00 1.01 0.00 0.00 58.87 59.73 1wmj n SER 121 Cb 0.53 -4.01 0.77 0.00 -1.01 0.00 0.00 64.21 60.49 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03