#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 0.00 -1.97 3.17 0.00 -1.26 -4.81 120.51 115.65 1wmj n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1wmj n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 7.67 -0.85 -2.66 0.00 0.00 -1.26 -4.68 120.51 118.74 1wmj n ALA 3 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1wmj n ALA 3 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.85 -4.25 0.00 0.00 2.13 -1.26 -5.07 120.64 110.35 1wmj n GLU 4 Ca -0.02 3.23 0.00 0.00 0.66 0.00 0.00 57.16 61.02 1wmj n GLU 4 Cb 0.53 -4.69 0.00 0.00 0.27 0.00 0.00 31.44 27.55 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 1.74 3.80 -0.24 5.31 -0.58 -1.26 -4.96 120.64 124.46 1wmj n GLU 5 Ca -0.37 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.33 1wmj n GLU 5 Cb 0.57 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.48 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 2.44 3.90 0.62 0.00 -1.26 -4.83 105.19 111.06 1wmj n GLY 6 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.69 1.46 -0.78 1.61 -7.23 -1.26 -3.80 120.40 109.71 1wmj s VAL 7 Ca 0.11 -1.56 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 1wmj s VAL 7 Cb 0.09 -2.02 -0.17 0.00 0.56 0.00 0.00 36.38 34.84 1wmj s VAL 7 CO 0.02 0.00 2.44 1.33 -0.31 0.00 0.00 175.10 178.58 1wmj n VAL 8 N -1.74 -0.03 -0.93 1.32 0.24 -1.24 -4.80 118.33 111.15 1wmj n VAL 8 Ca -0.05 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.34 61.40 1wmj n VAL 8 Cb 0.65 -1.56 0.06 0.00 -1.47 0.00 0.00 33.84 31.52 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 7.64 0.00 -2.98 1.34 2.08 -1.26 -4.40 119.36 121.78 1wmj n ILE 9 Ca 0.52 -0.13 -0.17 0.00 0.56 0.00 0.00 62.75 63.52 1wmj n ILE 9 Cb 0.32 -0.14 -0.01 0.00 -0.75 0.00 0.00 39.64 39.06 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 -3.55 2.92 -0.94 -1.39 0.00 -1.24 0.17 120.51 116.48 1wmj n ALA 10 Ca -0.01 -3.57 -0.35 0.00 0.00 0.00 0.00 53.44 49.51 1wmj n ALA 10 Cb 0.70 -0.88 0.06 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 -2.89 -1.00 0.00 0.00 -0.00 -1.26 -4.19 115.22 105.88 1wmj n HIS 12 Ca 0.00 -0.88 0.00 0.00 0.46 0.00 0.00 57.72 57.30 1wmj n HIS 12 Cb 0.57 1.02 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 0.46 0.00 0.00 176.34 177.07 1wmj n ASN 13 N -0.75 0.00 0.00 0.26 6.94 -1.26 -4.96 115.26 115.48 1wmj n ASN 13 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 1wmj n ASN 13 Cb 0.69 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.11 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 -0.23 -3.83 4.81 -1.26 -4.28 118.16 113.37 1wmj n LYS 14 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.65 1wmj n LYS 14 Cb 0.00 0.00 0.37 0.00 0.02 0.00 0.00 35.03 35.42 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 0.90 0.16 0.11 3.14 2.03 -1.26 0.34 116.55 121.96 1wmj n ASP 15 Ca 0.00 0.87 -0.23 0.00 0.52 0.00 0.00 54.79 55.95 1wmj n ASP 15 Cb 0.00 -0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 39.82 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 0.46 -0.58 -0.67 5.08 -1.97 -3.08 114.58 113.82 1wmj h GLU 16 Ca 0.50 -0.78 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1wmj h GLU 16 Cb 1.47 0.29 -0.05 0.00 0.50 0.00 0.00 28.75 30.96 1wmj h GLU 16 CO -0.35 1.37 0.30 0.35 -1.00 0.00 0.00 179.01 179.67 1wmj h PHE 17 N -0.01 0.54 0.00 4.33 3.04 0.53 -1.13 116.94 124.24 1wmj h PHE 17 Ca -0.24 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.65 1wmj h PHE 17 Cb 2.01 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 40.36 1wmj h PHE 17 CO 0.14 0.25 -0.36 -0.44 -2.02 0.00 0.00 178.31 175.88 1wmj h ASP 18 N 0.56 0.00 0.00 0.41 3.32 -1.20 -2.42 116.42 117.09 1wmj h ASP 18 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1wmj h ASP 18 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1wmj h ASP 18 CO -0.18 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 1wmj n ALA 19 N -2.42 1.12 -0.01 3.45 0.00 -0.43 -1.78 120.51 120.43 1wmj n ALA 19 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1wmj n ALA 19 Cb 0.42 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.38 0.91 0.21 0.00 3.00 -0.95 -4.35 117.38 114.82 1wmj n GLN 20 Ca 0.00 0.01 0.15 0.00 -0.01 0.00 0.00 57.00 57.15 1wmj n GLN 20 Cb 0.00 -1.06 0.69 0.00 0.00 0.00 0.00 30.24 29.87 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 0.00 0.00 0.01 -1.09 4.05 -1.06 -2.42 114.93 114.42 1wmj h MET 21 Ca -0.07 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.02 1wmj h MET 21 Cb 1.11 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.86 1wmj h MET 21 CO -0.01 0.00 -2.00 2.41 0.23 0.00 0.00 176.91 177.55 1wmj n THR 22 N -2.58 1.55 0.91 -0.77 -1.04 -0.73 -4.12 114.28 107.50 1wmj n THR 22 Ca -0.00 -0.79 -0.01 0.00 -2.04 0.00 0.00 64.05 61.21 1wmj n THR 22 Cb 0.17 -0.94 0.01 0.00 -1.82 0.00 0.00 70.33 67.74 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 -3.01 1.09 0.00 -2.82 4.01 -0.91 -3.44 118.16 113.08 1wmj n LYS 23 Ca -0.25 -0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.42 1wmj n LYS 23 Cb 1.08 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.40 1wmj n LYS 23 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wmj n ALA 24 N 0.31 2.24 -0.08 7.82 0.00 -1.23 -4.44 120.51 125.12 1wmj n ALA 24 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1wmj n ALA 24 Cb 0.47 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.19 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 0.62 0.05 0.00 2.10 -1.72 0.10 116.57 117.73 1wmj h LYS 25 Ca 0.00 -0.34 -0.20 0.00 -2.00 0.00 0.00 60.65 58.11 1wmj h LYS 25 Cb 0.64 0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1wmj h LYS 25 CO 0.00 0.94 -0.82 1.05 -2.00 0.00 0.00 179.45 178.61 1wmj h GLU 26 N 0.34 0.48 0.00 0.07 4.11 -1.88 -3.25 114.58 114.45 1wmj h GLU 26 Ca 0.04 -0.58 -0.06 0.00 0.07 0.00 0.00 59.36 58.83 1wmj h GLU 26 Cb 0.83 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1wmj h GLU 26 CO 0.07 1.21 -0.28 0.00 0.07 0.00 0.00 179.01 180.08 1wmj h ALA 27 N 0.28 1.46 -0.04 1.06 0.00 -1.77 -3.47 119.26 116.78 1wmj h ALA 27 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wmj h ALA 27 Cb 1.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wmj h ALA 27 CO 0.16 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1wmj n GLY 28 N -0.64 1.12 3.49 0.00 0.00 -0.15 -5.03 105.19 103.99 1wmj n GLY 28 Ca -0.02 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.60 1.71 0.67 1.61 -2.85 0.18 -5.03 119.74 113.43 1wmj s LYS 29 Ca 0.00 -1.86 -0.11 0.00 -1.00 0.00 0.00 55.97 53.00 1wmj s LYS 29 Cb 0.00 -1.55 -0.01 0.00 -2.06 0.00 0.00 37.83 34.21 1wmj s LYS 29 CO 0.00 0.15 1.05 0.08 0.10 0.00 0.00 175.35 176.73 1wmj s VAL 30 N -2.71 4.20 0.07 1.79 1.01 -0.70 -4.36 120.40 119.71 1wmj s VAL 30 Ca 0.31 0.71 0.07 0.00 0.00 0.00 0.00 61.98 63.07 1wmj s VAL 30 Cb 0.01 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1wmj s VAL 30 CO 0.15 -0.93 -0.13 -0.69 0.00 0.00 0.00 175.10 173.49 1wmj s VAL 31 N -3.12 3.15 -0.32 2.92 1.01 -1.23 -2.26 120.40 120.56 1wmj s VAL 31 Ca 0.57 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wmj s VAL 31 Cb -0.13 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 33.96 1wmj s VAL 31 CO 0.54 0.21 0.22 -0.63 0.00 0.00 0.00 175.10 175.44 1wmj s ILE 32 N -1.09 -0.12 -0.18 2.22 1.09 -1.26 -2.59 121.20 119.28 1wmj s ILE 32 Ca 0.18 -0.98 -0.14 0.00 -1.10 0.00 0.00 60.65 58.61 1wmj s ILE 32 Cb -0.11 -0.98 -0.04 0.00 -1.06 0.00 0.00 42.46 40.27 1wmj s ILE 32 CO 0.10 -0.73 0.32 -0.63 -0.10 0.00 0.00 174.94 173.90 1wmj s ILE 33 N 1.80 5.27 -0.90 2.92 1.09 0.12 -1.45 121.20 130.05 1wmj s ILE 33 Ca 0.12 0.59 -0.11 0.00 -1.10 0.00 0.00 60.65 60.15 1wmj s ILE 33 Cb -0.17 -3.66 0.23 0.00 -1.06 0.00 0.00 42.46 37.80 1wmj s ILE 33 CO -0.22 0.34 0.85 -0.62 -0.10 0.00 0.00 174.94 175.19 1wmj s ASP 34 N 0.69 6.78 0.79 3.58 2.15 0.19 -0.48 116.67 130.37 1wmj s ASP 34 Ca 0.17 -3.02 0.00 0.00 0.43 0.00 0.00 52.55 50.13 1wmj s ASP 34 Cb -0.14 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1wmj s ASP 34 CO 0.05 -0.46 0.00 0.49 -0.17 0.00 0.00 175.17 175.09 1wmj n PHE 35 N 3.48 -1.86 0.00 -5.34 3.72 -0.90 -2.30 117.46 114.26 1wmj n PHE 35 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 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 -2.53 0.00 -3.07 4.37 5.66 -0.86 -4.00 114.28 113.84 1wmj n THR 36 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1wmj n THR 36 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 1wmj n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmj s ALA 37 N -0.49 4.60 0.00 1.79 0.00 -1.26 -1.03 121.76 125.37 1wmj s ALA 37 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1wmj s ALA 37 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1wmj s ALA 37 CO 0.00 -0.56 0.70 0.45 0.00 0.00 0.00 175.76 176.35 1wmj n SER 38 N -2.02 0.00 -0.30 0.00 2.88 -1.26 0.89 113.62 113.81 1wmj n SER 38 Ca 0.11 0.70 0.30 0.00 -1.33 0.00 0.00 58.87 58.65 1wmj n SER 38 Cb 0.61 -0.28 0.54 0.00 -0.75 0.00 0.00 64.21 64.33 1wmj n SER 38 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1wmj n TRP 39 N -2.20 1.06 -1.33 0.66 8.01 -1.26 -4.88 117.44 117.49 1wmj n TRP 39 Ca 0.00 1.06 0.16 0.00 -1.31 0.00 0.00 57.50 57.42 1wmj n TRP 39 Cb 0.00 -1.47 -0.09 0.00 -2.01 0.00 0.00 31.31 27.74 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 -4.16 0.85 0.10 0.00 0.00 -1.26 -4.96 105.19 95.76 1wmj n GLY 41 Ca -0.08 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 0.21 -6.71 1.61 0.13 -1.94 -3.47 132.00 121.83 1wmj h PRO 42 Ca 0.00 -0.11 -0.54 0.00 -0.87 0.00 0.00 66.00 64.48 1wmj h PRO 42 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1wmj h PRO 42 CO 0.00 0.64 -0.88 0.00 -0.23 0.00 0.00 178.00 177.53 1wmj n ARG 44 N -4.41 0.00 -0.18 0.00 1.74 -1.26 -4.74 116.66 107.82 1wmj n ARG 44 Ca -0.13 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.86 1wmj n ARG 44 Cb 0.59 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.04 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 0.90 -0.57 -1.55 3.57 -2.00 -2.96 116.94 114.33 1wmj h PHE 45 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1wmj h PHE 45 Cb 0.00 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1wmj h PHE 45 CO 0.00 0.81 0.00 1.51 -2.23 0.00 0.00 178.31 178.40 1wmj n ILE 46 N -4.40 1.17 0.17 1.41 3.06 -1.26 -4.59 119.36 114.91 1wmj n ILE 46 Ca 0.02 -1.06 -0.14 0.00 -2.50 0.00 0.00 62.75 59.06 1wmj n ILE 46 Cb 0.25 0.42 -0.07 0.00 0.54 0.00 0.00 39.64 40.79 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 3.36 -0.50 0.00 1.51 0.00 -1.81 -1.20 119.26 120.62 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 0.98 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wmj h ALA 47 CO 0.04 -0.81 0.00 -0.35 0.00 0.00 0.00 179.25 178.13 1wmj n PRO 48 N -5.37 0.49 -0.14 0.00 -0.04 -1.26 -2.95 135.00 125.73 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 0.28 -1.24 -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 -0.74 1.52 0.00 0.52 0.31 -0.50 -4.04 118.33 115.40 1wmj n VAL 49 Ca 0.06 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1wmj n VAL 49 Cb 0.03 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 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 -4.10 0.00 -0.25 3.52 3.72 -0.93 -0.39 117.46 119.03 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 0.90 -0.47 0.12 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.19 4.37 0.00 -1.85 0.58 119.26 120.82 1wmj h ALA 51 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wmj h ALA 51 Cb 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wmj h ALA 51 CO 0.00 -0.42 -0.02 1.05 0.00 0.00 0.00 179.25 179.86 1wmj h GLU 52 N 0.06 0.28 -0.14 0.00 4.11 -1.70 -2.79 114.58 114.40 1wmj h GLU 52 Ca 0.38 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.69 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 -0.69 0.32 -0.18 1.88 0.07 0.00 0.00 179.01 180.42 1wmj h TYR 53 N 0.27 0.46 -0.98 2.06 -1.99 0.29 -2.56 116.97 114.52 1wmj h TYR 53 Ca 0.06 -0.15 0.34 0.00 2.00 0.00 0.00 58.73 60.98 1wmj h TYR 53 Cb 0.23 -0.09 -0.17 0.00 2.00 0.00 0.00 36.73 38.69 1wmj h TYR 53 CO 0.00 0.80 0.36 0.00 -0.00 0.00 0.00 178.16 179.32 1wmj h ALA 54 N 0.58 1.73 0.13 3.88 0.00 -0.61 0.36 119.26 125.33 1wmj h ALA 54 Ca 0.02 0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1wmj h ALA 54 Cb 0.74 0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wmj h ALA 54 CO 0.04 -0.72 -0.98 0.87 0.00 0.00 0.00 179.25 178.47 1wmj h LYS 55 N 0.09 0.44 -0.31 0.00 1.57 -1.59 -3.24 116.57 113.52 1wmj h LYS 55 Ca 0.72 -0.64 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1wmj h LYS 55 Cb 1.71 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 1wmj h LYS 55 CO -0.77 1.28 0.33 0.87 -0.57 0.00 0.00 179.45 180.59 1wmj h LYS 56 N -0.09 0.00 -3.46 3.15 1.57 0.03 -3.25 116.57 114.51 1wmj h LYS 56 Ca -0.16 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.95 1wmj h LYS 56 Cb 1.73 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.66 1wmj h LYS 56 CO 0.19 0.00 -0.46 -0.06 -0.57 0.00 0.00 179.45 178.55 1wmj s PHE 57 N -4.65 3.34 -1.56 -1.35 0.08 0.08 -4.92 117.98 109.00 1wmj s PHE 57 Ca -0.04 -2.93 0.15 0.00 0.12 0.00 0.00 56.93 54.22 1wmj s PHE 57 Cb 0.16 -3.04 0.79 0.00 -0.57 0.00 0.00 43.02 40.35 1wmj s PHE 57 CO 0.56 -0.79 1.39 -0.35 -0.10 0.00 0.00 175.22 175.94 1wmj n PRO 58 N 3.22 0.27 -0.73 0.24 -0.04 -1.23 -2.77 135.00 133.96 1wmj n PRO 58 Ca 0.08 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1wmj n PRO 58 Cb 0.35 -1.50 0.24 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 2.98 3.32 0.55 0.00 -1.26 -4.91 105.19 105.84 1wmj n GLY 59 Ca 0.08 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.31 -0.55 -0.15 4.61 0.00 -1.11 -1.72 121.76 120.52 1wmj s ALA 60 Ca 0.40 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1wmj s ALA 60 Cb 0.32 0.69 -0.23 0.00 0.00 0.00 0.00 23.12 23.89 1wmj s ALA 60 CO 0.10 -0.63 0.22 1.33 0.00 0.00 0.00 175.76 176.79 1wmj n VAL 61 N -0.19 1.59 -1.35 0.00 0.24 -0.96 -4.95 118.33 112.71 1wmj n VAL 61 Ca -0.13 -0.70 0.16 0.00 -2.04 0.00 0.00 64.34 61.62 1wmj n VAL 61 Cb 0.63 -1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 31.66 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 -3.19 -3.46 0.00 6.34 3.01 -1.26 -4.69 117.46 114.22 1wmj n PHE 62 Ca -0.32 1.91 0.00 0.00 1.01 0.00 0.00 57.45 60.05 1wmj n PHE 62 Cb 1.05 -3.15 0.00 0.00 -0.01 0.00 0.00 39.48 37.38 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 -4.22 0.00 -4.20 4.37 0.00 -0.53 -4.16 117.00 108.26 1wmj n LEU 63 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.63 1wmj n LEU 63 Cb 0.61 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.87 1wmj n LEU 63 CO 0.03 0.00 -0.54 -0.75 0.00 0.00 0.00 177.39 176.13 1wmj s LYS 64 N -1.72 2.49 0.27 1.96 2.20 0.45 0.53 119.74 125.92 1wmj s LYS 64 Ca 0.00 -0.79 0.06 0.00 -0.36 0.00 0.00 55.97 54.88 1wmj s LYS 64 Cb 0.00 -2.01 -0.06 0.00 -1.51 0.00 0.00 37.83 34.25 1wmj s LYS 64 CO 0.00 0.25 -0.03 0.14 -0.36 0.00 0.00 175.35 175.35 1wmj s VAL 65 N 0.14 1.44 -0.21 4.02 -7.23 -0.97 0.15 120.40 117.73 1wmj s VAL 65 Ca -0.10 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 57.94 1wmj s VAL 65 Cb -0.15 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1wmj s VAL 65 CO 0.05 -0.28 -0.02 -0.62 -0.31 0.00 0.00 175.10 173.92 1wmj s ASP 66 N -3.41 4.50 -0.08 4.85 -1.08 -1.26 -3.50 116.67 116.69 1wmj s ASP 66 Ca 0.30 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1wmj s ASP 66 Cb 0.05 -1.77 0.09 0.00 -1.46 0.00 0.00 42.92 39.82 1wmj s ASP 66 CO 0.11 0.01 1.46 1.33 0.52 0.00 0.00 175.17 178.60 1wmj n VAL 67 N 4.61 1.67 0.00 1.11 0.24 -0.20 -2.99 118.33 122.77 1wmj n VAL 67 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1wmj n VAL 67 Cb 0.51 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 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 0.59 3.97 -0.02 -1.34 -0.08 -1.26 -4.28 116.55 114.12 1wmj n ASP 68 Ca 0.09 -0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.34 1wmj n ASP 68 Cb 0.62 0.80 -0.03 0.00 2.34 0.00 0.00 41.12 44.85 1wmj n ASP 68 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wmj n GLU 69 N -1.20 2.31 -0.53 -0.67 0.28 -1.20 -4.74 120.64 114.89 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 0.00 -1.12 0.09 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.32 1.50 -0.27 -1.84 -0.00 -1.16 -4.86 117.00 108.05 1wmj n LEU 70 Ca -0.08 -2.45 0.23 0.00 -0.00 0.00 0.00 56.01 53.70 1wmj n LEU 70 Cb 0.64 -0.25 0.38 0.00 -0.00 0.00 0.00 43.42 44.19 1wmj n LEU 70 CO 0.08 0.67 0.69 2.29 -0.00 0.00 0.00 177.39 181.12 1wmj n LYS 71 N -0.64 -0.02 -0.46 1.47 2.85 -1.25 0.14 118.16 120.25 1wmj n LYS 71 Ca 0.10 0.70 0.35 0.00 -1.05 0.00 0.00 58.31 58.42 1wmj n LYS 71 Cb 0.75 -1.38 0.55 0.00 -0.65 0.00 0.00 35.03 34.30 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 -0.01 -0.02 -1.58 0.28 -1.26 0.25 120.64 114.53 1wmj n GLU 72 Ca 0.23 0.80 -0.16 0.00 -0.16 0.00 0.00 57.16 57.87 1wmj n GLU 72 Cb 0.88 -1.77 -0.12 0.00 1.43 0.00 0.00 31.44 31.87 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 1.56 0.00 3.84 2.07 -0.70 -3.22 116.25 119.80 1wmj h VAL 73 Ca 0.66 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1wmj h VAL 73 Cb 2.50 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 35.11 1wmj h VAL 73 CO -0.10 0.56 -0.18 0.00 0.02 0.00 0.00 177.57 177.87 1wmj h ALA 74 N 0.22 1.29 0.00 1.67 0.00 0.31 -1.84 119.26 120.92 1wmj h ALA 74 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wmj h ALA 74 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wmj h ALA 74 CO 0.06 0.22 0.00 0.93 0.00 0.00 0.00 179.25 180.46 1wmj h GLU 75 N 0.00 0.00 0.03 0.00 5.08 -0.95 0.32 114.58 119.06 1wmj h GLU 75 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 1wmj h GLU 75 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1wmj h GLU 75 CO 0.02 0.00 -1.49 1.57 -1.00 0.00 0.00 179.01 178.12 1wmj h LYS 76 N 0.00 0.06 0.00 2.33 2.10 -1.34 -3.34 116.57 116.37 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 0.58 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1wmj h LYS 76 CO 0.00 0.79 -1.33 0.66 -2.00 0.00 0.00 179.45 177.57 1wmj n TYR 77 N -3.23 0.19 -2.19 0.07 4.01 -1.12 -5.03 117.16 109.86 1wmj n TYR 77 Ca -0.13 0.06 -0.02 0.00 -0.16 0.00 0.00 57.90 57.65 1wmj n TYR 77 Cb 1.02 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 -2.03 -4.76 -0.10 7.72 4.05 0.11 -5.01 115.26 115.24 1wmj n ASN 78 Ca 0.00 0.10 -0.11 0.00 0.45 0.00 0.00 54.58 55.02 1wmj n ASN 78 Cb 0.47 -3.04 -0.13 0.00 1.23 0.00 0.00 39.78 38.31 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 -0.93 1.26 0.00 3.44 0.24 -0.93 -5.03 118.33 116.39 1wmj n VAL 79 Ca 0.03 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1wmj n VAL 79 Cb 0.37 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.85 0.00 0.00 7.34 1.02 -1.26 -4.51 120.64 120.38 1wmj n GLU 80 Ca -0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1wmj n GLU 80 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.45 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 -5.01 120.51 114.86 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 -0.27 0.00 0.00 -1.26 -4.62 117.12 110.97 1wmj n MET 82 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 1wmj n MET 82 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 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 0.54 -1.79 3.17 -0.04 -1.26 -2.04 135.00 133.43 1wmj n PRO 83 Ca 0.00 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1wmj n PRO 83 Cb 0.00 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 1.11 3.22 -1.40 0.52 2.01 -1.26 0.29 115.64 120.14 1wmj s THR 84 Ca 0.03 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1wmj s THR 84 Cb 0.01 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 1wmj s THR 84 CO 0.00 -0.06 2.67 0.49 -0.69 0.00 0.00 174.62 177.02 1wmj n PHE 85 N 8.57 2.15 -1.52 4.92 3.72 -1.25 -2.12 117.46 131.92 1wmj n PHE 85 Ca 0.21 -2.74 -0.43 0.00 -0.05 0.00 0.00 57.45 54.45 1wmj n PHE 85 Cb 0.43 -2.24 -0.00 0.00 -0.94 0.00 0.00 39.48 36.72 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 3.94 1.01 -4.31 4.37 -0.00 0.36 -3.75 117.00 118.62 1wmj n LEU 86 Ca 0.67 1.03 -0.30 0.00 -0.00 0.00 0.00 56.01 57.41 1wmj n LEU 86 Cb 0.21 -1.20 -0.15 0.00 -0.00 0.00 0.00 43.42 42.27 1wmj n LEU 86 CO 0.82 -2.15 -0.56 -0.36 -0.00 0.00 0.00 177.39 175.13 1wmj s PHE 87 N -1.27 2.26 -0.57 1.96 0.40 0.53 0.11 117.98 121.40 1wmj s PHE 87 Ca 0.62 -0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.58 1wmj s PHE 87 Cb -0.65 -1.41 0.19 0.00 0.51 0.00 0.00 43.02 41.66 1wmj s PHE 87 CO 0.58 0.02 0.50 -0.89 0.70 0.00 0.00 175.22 176.13 1wmj n ILE 88 N 2.20 0.62 -2.61 0.64 2.08 -1.07 -0.92 119.36 120.31 1wmj n ILE 88 Ca -0.16 -4.39 -0.43 0.00 0.56 0.00 0.00 62.75 58.33 1wmj n ILE 88 Cb 0.52 -1.98 -0.02 0.00 -0.75 0.00 0.00 39.64 37.40 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 -1.15 4.32 0.00 0.38 2.20 -1.26 -3.08 119.74 121.15 1wmj s LYS 89 Ca 0.31 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1wmj s LYS 89 Cb 0.04 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1wmj s LYS 89 CO -0.15 -0.51 0.00 -3.47 -0.36 0.00 0.00 175.35 170.86 1wmj n ASP 90 N 5.78 0.00 0.00 1.43 -0.08 -1.26 -3.75 116.55 118.67 1wmj n ASP 90 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1wmj n ASP 90 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wmj n GLY 91 N -2.00 0.84 0.00 0.27 0.00 -1.18 -4.81 105.19 98.32 1wmj n GLY 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wmj n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 92 N 0.00 0.76 -3.15 4.61 0.00 -1.25 -5.11 120.51 116.38 1wmj n ALA 92 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1wmj n ALA 92 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wmj n ALA 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wmj s GLU 93 N 0.00 0.13 -0.03 0.00 2.12 -1.26 -4.71 118.70 114.95 1wmj s GLU 93 Ca 0.00 0.19 0.08 0.00 0.36 0.00 0.00 54.97 55.60 1wmj s GLU 93 Cb 0.00 0.10 -0.24 0.00 0.26 0.00 0.00 34.13 34.26 1wmj s GLU 93 CO 0.00 -0.17 0.71 0.00 -0.54 0.00 0.00 175.26 175.25 1wmj h ALA 94 N 7.74 0.63 0.00 6.30 0.00 -1.30 -3.45 119.26 129.18 1wmj h ALA 94 Ca -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1wmj h ALA 94 Cb 1.18 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1wmj h ALA 94 CO -0.13 1.47 0.00 -0.25 0.00 0.00 0.00 179.25 180.34 1wmj n ASP 95 N -3.18 0.00 -1.92 0.00 8.00 -1.23 -4.99 116.55 113.23 1wmj n ASP 95 Ca -0.17 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.29 1wmj n ASP 95 Cb 1.04 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.13 1wmj n ASP 95 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wmj n LYS 96 N -0.89 1.09 0.00 -1.24 4.01 -1.26 0.20 118.16 120.06 1wmj n LYS 96 Ca 0.00 -0.48 0.00 0.00 -0.51 0.00 0.00 58.31 57.32 1wmj n LYS 96 Cb 0.00 0.23 0.00 0.00 -0.51 0.00 0.00 35.03 34.75 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 -0.13 0.00 0.00 -0.18 0.31 -1.25 -4.88 118.33 112.20 1wmj n VAL 97 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1wmj n VAL 97 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 -1.52 2.52 0.31 -1.25 -4.49 118.33 113.90 1wmj n VAL 98 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1wmj n VAL 98 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 -1.16 4.56 0.34 2.92 0.00 0.83 -3.85 105.19 108.84 1wmj n GLY 99 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 0.56 1.69 -3.84 4.61 0.00 -1.26 -4.64 120.51 117.62 1wmj n ALA 100 Ca 0.49 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 1wmj n ALA 100 Cb 0.50 -0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 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 1.14 0.00 0.00 3.00 -1.25 -4.98 118.95 116.86 1wmj s ARG 101 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 55.73 55.38 1wmj s ARG 101 Cb 0.00 -1.96 0.41 0.00 0.00 0.00 0.00 34.95 33.40 1wmj s ARG 101 CO 0.00 -0.49 1.30 1.17 0.00 0.00 0.00 175.30 177.28 1wmj n LYS 102 N 4.94 1.44 0.00 3.54 0.00 -1.26 -2.68 118.16 124.13 1wmj n LYS 102 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 58.31 57.53 1wmj n LYS 102 Cb 0.48 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.29 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 -0.01 0.07 -0.01 3.14 5.75 -1.26 -4.67 116.55 119.56 1wmj n ASP 103 Ca 0.09 -0.37 0.07 0.00 -0.01 0.00 0.00 54.79 54.57 1wmj n ASP 103 Cb 0.18 0.76 -0.12 0.00 -1.03 0.00 0.00 41.12 40.91 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 -0.77 1.58 0.00 -1.12 2.03 -1.21 -4.31 116.55 112.75 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 1.63 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 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 -2.05 1.79 0.32 -2.67 7.94 -1.09 -2.67 117.00 118.57 1wmj n LEU 105 Ca -0.04 0.21 0.09 0.00 -1.11 0.00 0.00 56.01 55.17 1wmj n LEU 105 Cb 0.42 -0.18 0.48 0.00 0.53 0.00 0.00 43.42 44.67 1wmj n LEU 105 CO 0.31 -0.18 1.08 0.06 -1.11 0.00 0.00 177.39 177.55 1wmj h GLN 106 N 0.00 0.00 0.10 1.96 -0.00 -1.83 1.07 115.11 116.41 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 -1.19 -0.97 -0.00 0.00 0.00 178.83 176.67 1wmj h ASN 107 N 0.00 0.35 0.24 0.06 -1.24 -1.75 -3.10 115.58 110.14 1wmj h ASN 107 Ca 0.01 -0.37 -0.32 0.00 0.71 0.00 0.00 56.30 56.32 1wmj h ASN 107 Cb 1.24 -0.11 0.03 0.00 0.73 0.00 0.00 38.32 40.21 1wmj h ASN 107 CO -0.00 1.29 -1.45 0.74 -1.29 0.00 0.00 177.43 176.72 1wmj h THR 108 N 0.06 1.26 0.00 -3.57 2.02 0.14 -3.18 112.91 109.64 1wmj h THR 108 Ca -0.11 -2.66 -0.02 0.00 0.77 0.00 0.00 66.41 64.40 1wmj h THR 108 Cb 1.93 3.02 -0.00 0.00 -1.74 0.00 0.00 68.15 71.36 1wmj h THR 108 CO 0.19 0.81 -0.08 0.40 0.37 0.00 0.00 175.52 177.20 1wmj h ILE 109 N 0.08 0.67 0.01 3.11 5.03 -1.34 -1.33 117.51 123.75 1wmj h ILE 109 Ca -0.26 -0.35 -0.20 0.00 -0.12 0.00 0.00 64.86 63.93 1wmj h ILE 109 Cb 2.11 1.21 -0.03 0.00 -3.03 0.00 0.00 36.82 37.09 1wmj h ILE 109 CO 0.25 0.08 -0.96 -0.37 -0.68 0.00 0.00 178.15 176.48 1wmj h VAL 110 N 0.00 1.66 0.00 1.67 -1.51 -1.60 1.12 116.25 117.59 1wmj h VAL 110 Ca -0.00 -3.19 -0.17 0.00 -1.23 0.00 0.00 66.70 62.11 1wmj h VAL 110 Cb 0.21 2.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.08 1wmj h VAL 110 CO 0.01 0.91 -0.81 0.07 -1.23 0.00 0.00 177.57 176.52 1wmj h LYS 111 N 0.01 0.00 0.00 5.19 2.10 -1.30 0.94 116.57 123.50 1wmj h LYS 111 Ca -0.02 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.20 1wmj h LYS 111 Cb 1.68 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.94 1wmj h LYS 111 CO 0.13 0.81 -2.46 0.72 -2.00 0.00 0.00 179.45 176.65 1wmj n HIS 112 N -3.32 0.00 -0.05 0.07 8.25 -0.59 -4.13 115.22 115.44 1wmj n HIS 112 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1wmj n HIS 112 Cb 0.85 -0.95 -0.15 0.00 1.12 0.00 0.00 29.99 30.87 1wmj n HIS 112 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wmj n VAL 113 N -3.94 1.46 0.89 1.59 0.31 0.35 -4.12 118.33 114.87 1wmj n VAL 113 Ca -0.50 -0.81 0.14 0.00 -0.01 0.00 0.00 64.34 63.15 1wmj n VAL 113 Cb 0.89 -0.75 0.56 0.00 -0.91 0.00 0.00 33.84 33.63 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 1.63 -1.56 4.48 2.92 0.00 0.90 -4.77 105.19 108.79 1wmj n GLY 114 Ca -0.23 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1wmj n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 115 N -1.58 -1.21 0.00 4.61 0.00 -0.03 -4.37 120.51 117.93 1wmj n ALA 115 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1wmj n ALA 115 Cb 0.36 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1wmj n ALA 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wmj n THR 116 N -4.00 0.00 -1.06 0.00 -1.04 -1.06 -5.05 114.28 102.06 1wmj n THR 116 Ca 0.10 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.26 1wmj n THR 116 Cb 0.45 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.92 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wmj n ALA 117 N -0.88 -3.29 -0.04 2.41 0.00 -0.69 -4.84 120.51 113.17 1wmj n ALA 117 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 1wmj n ALA 117 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1wmj n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n ALA 118 N -1.80 2.29 -2.67 0.00 0.00 -1.26 -4.92 120.51 112.14 1wmj n ALA 118 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 1wmj n ALA 118 Cb 0.48 0.37 0.11 0.00 0.00 0.00 0.00 19.45 20.41 1wmj n ALA 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wmj n SER 119 N -3.25 -1.50 -1.90 0.00 3.41 -1.26 -4.97 113.62 104.15 1wmj n SER 119 Ca -0.17 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1wmj n SER 119 Cb 0.63 0.79 0.05 0.00 -0.26 0.00 0.00 64.21 65.42 1wmj n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wmj n ALA 120 N -0.99 2.86 -2.68 7.33 0.00 -1.26 -5.03 120.51 120.73 1wmj n ALA 120 Ca -0.12 -2.75 -0.42 0.00 0.00 0.00 0.00 53.44 50.16 1wmj n ALA 120 Cb 0.82 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1wmj n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wmj s SER 121 N -2.93 6.40 0.00 0.00 0.01 -1.26 -5.06 113.70 110.86 1wmj s SER 121 Ca 0.34 -1.27 0.18 0.00 1.31 0.00 0.00 55.95 56.50 1wmj s SER 121 Cb 0.37 -2.51 0.14 0.00 0.21 0.00 0.00 66.02 64.23 1wmj s SER 121 CO -0.09 -1.48 1.06 0.00 0.41 0.00 0.00 173.24 173.13