#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wp0 s LYS 2 N 0.00 3.16 0.34 0.03 2.20 -1.26 -5.06 119.74 119.16 2wp0 s LYS 2 Ca 0.00 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 2wp0 s LYS 2 Cb 0.00 -2.93 -0.11 0.00 -1.51 0.00 0.00 37.83 33.28 2wp0 s LYS 2 CO 0.00 0.68 1.41 1.21 -0.36 0.00 0.00 175.35 178.28 2wp0 s ASN 3 N -1.58 6.56 0.29 1.43 2.47 -1.26 -4.84 114.94 118.01 2wp0 s ASN 3 Ca 0.21 2.86 -0.01 0.00 0.42 0.00 0.00 52.86 56.34 2wp0 s ASN 3 Cb -0.12 -2.65 0.45 0.00 -1.45 0.00 0.00 41.25 37.48 2wp0 s ASN 3 CO 0.12 -0.71 1.93 0.15 -3.72 0.00 0.00 177.10 174.87 2wp0 h PHE 4 N 3.42 1.09 -0.01 0.43 3.57 -1.97 0.49 116.94 123.96 2wp0 h PHE 4 Ca -0.49 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 60.84 2wp0 h PHE 4 Cb 1.23 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2wp0 h PHE 4 CO 0.55 0.62 -0.84 1.88 -2.23 0.00 0.00 178.31 178.30 2wp0 h TYR 5 N 1.12 0.34 -0.12 0.41 -1.99 -1.99 0.62 116.97 115.36 2wp0 h TYR 5 Ca 0.36 -0.18 -0.23 0.00 2.00 0.00 0.00 58.73 60.68 2wp0 h TYR 5 Cb 0.04 -0.04 0.01 0.00 2.00 0.00 0.00 36.73 38.74 2wp0 h TYR 5 CO -0.00 0.97 -0.84 -0.44 -0.00 0.00 0.00 178.16 177.85 2wp0 h ASP 6 N 0.14 0.94 0.48 3.88 3.32 -1.92 -3.12 116.42 120.15 2wp0 h ASP 6 Ca -0.04 -0.65 -0.01 0.00 0.02 0.00 0.00 57.03 56.35 2wp0 h ASP 6 Cb 1.45 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 2wp0 h ASP 6 CO 0.13 1.45 -0.46 -0.25 -1.72 0.00 0.00 179.24 178.39 2wp0 h TRP 7 N 0.51 -1.25 -1.00 4.55 7.01 0.54 -2.23 115.95 124.08 2wp0 h TRP 7 Ca -0.07 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.08 2wp0 h TRP 7 Cb 1.48 0.48 -0.09 0.00 -2.10 0.00 0.00 29.16 28.93 2wp0 h TRP 7 CO 0.09 -0.63 0.62 0.97 -2.79 0.00 0.00 178.44 176.71 2wp0 h ILE 8 N -0.94 0.86 0.63 2.65 2.10 0.12 -0.41 117.51 122.51 2wp0 h ILE 8 Ca -0.05 -0.32 -0.02 0.00 1.08 0.00 0.00 64.86 65.55 2wp0 h ILE 8 Cb 0.82 -0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.39 2wp0 h ILE 8 CO -0.05 0.17 -0.50 0.11 -1.08 0.00 0.00 178.15 176.81 2wp0 h LYS 9 N 0.93 -1.05 -0.34 2.19 1.57 -1.44 0.15 116.57 118.57 2wp0 h LYS 9 Ca 0.52 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.45 2wp0 h LYS 9 Cb 0.61 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 2wp0 h LYS 9 CO -0.30 -0.70 -0.28 0.93 -0.57 0.00 0.00 179.45 178.53 2wp0 h GLU 10 N -1.09 -0.23 -0.48 3.15 5.08 -0.78 -2.41 114.58 117.81 2wp0 h GLU 10 Ca -0.08 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 2wp0 h GLU 10 Cb 0.91 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 2wp0 h GLU 10 CO 0.01 -0.15 -0.03 0.35 -1.00 0.00 0.00 179.01 178.19 2wp0 h PHE 11 N -0.24 -0.08 -0.97 4.33 3.57 -0.84 -1.06 116.94 121.65 2wp0 h PHE 11 Ca 0.17 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.83 2wp0 h PHE 11 Cb 0.51 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 2wp0 h PHE 11 CO -0.48 -0.13 0.61 0.82 -2.23 0.00 0.00 178.31 176.90 2wp0 h ILE 12 N 0.08 0.90 -0.14 1.41 1.08 -0.21 -1.77 117.51 118.87 2wp0 h ILE 12 Ca 0.24 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 2wp0 h ILE 12 Cb 0.36 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.02 2wp0 h ILE 12 CO -0.42 0.17 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.02 2wp0 h ARG 13 N 0.91 0.31 -0.91 2.37 2.43 -0.94 -2.69 114.38 115.85 2wp0 h ARG 13 Ca 0.48 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 2wp0 h ARG 13 Cb 0.55 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 2wp0 h ARG 13 CO -0.25 0.67 0.60 -0.44 -1.51 0.00 0.00 179.97 179.04 2wp0 h ASP 14 N -0.06 1.02 0.39 -3.80 5.19 -1.22 -0.12 116.42 117.83 2wp0 h ASP 14 Ca 0.03 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2wp0 h ASP 14 Cb 0.59 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2wp0 h ASP 14 CO 0.03 0.72 -0.27 -0.61 -3.12 0.00 0.00 179.24 175.98 2wp0 h GLN 15 N 1.19 -0.63 -0.63 3.56 4.15 -1.27 0.27 115.11 121.75 2wp0 h GLN 15 Ca 0.35 0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.75 2wp0 h GLN 15 Cb -0.07 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 2wp0 h GLN 15 CO -0.10 -0.42 0.16 0.78 -1.93 0.00 0.00 178.83 177.32 2wp0 h GLY 16 N -0.65 1.08 1.00 2.39 0.00 -1.31 -2.07 103.07 103.50 2wp0 h GLY 16 Ca -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 2wp0 h GLY 16 CO 0.02 0.63 -0.24 0.83 0.00 0.00 0.00 176.54 177.78 2wp0 h GLU 17 N 0.92 -0.64 -1.00 4.80 5.08 -0.67 -1.31 114.58 121.75 2wp0 h GLU 17 Ca 0.20 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.80 2wp0 h GLU 17 Cb 0.35 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 2wp0 h GLU 17 CO 0.00 -0.42 0.61 0.35 -1.00 0.00 0.00 179.01 178.55 2wp0 h PHE 18 N -0.67 1.06 0.33 4.33 3.57 -0.40 0.51 116.94 125.68 2wp0 h PHE 18 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2wp0 h PHE 18 Cb 0.51 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2wp0 h PHE 18 CO -0.04 0.20 -0.16 0.82 -2.23 0.00 0.00 178.31 176.91 2wp0 h ILE 19 N 0.73 0.69 -0.69 1.41 2.04 -1.07 -1.65 117.51 118.97 2wp0 h ILE 19 Ca 0.59 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 66.39 2wp0 h ILE 19 Cb 0.96 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2wp0 h ILE 19 CO -0.40 0.02 0.40 0.00 0.00 0.00 0.00 178.15 178.17 2wp0 h ALA 20 N 0.16 0.92 -0.89 1.87 0.00 -0.03 -1.32 119.26 119.97 2wp0 h ALA 20 Ca -0.05 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2wp0 h ALA 20 Cb 0.38 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2wp0 h ALA 20 CO 0.07 0.10 0.54 0.37 0.00 0.00 0.00 179.25 180.34 2wp0 h GLN 21 N 0.74 0.91 -0.01 0.00 4.15 0.18 -1.22 115.11 119.87 2wp0 h GLN 21 Ca 0.30 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2wp0 h GLN 21 Cb 0.15 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2wp0 h GLN 21 CO -0.17 0.60 -0.11 1.04 -1.93 0.00 0.00 178.83 178.26 2wp0 n GLN 22 N -4.65 1.38 -0.35 1.69 1.13 -0.64 -4.46 117.38 111.48 2wp0 n GLN 22 Ca 0.14 -0.85 0.33 0.00 -1.94 0.00 0.00 57.00 54.68 2wp0 n GLN 22 Cb 0.24 -1.48 0.68 0.00 0.11 0.00 0.00 30.24 29.79 2wp0 n GLN 22 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2wp0 h SER 23 N 2.06 0.15 0.84 1.08 4.64 -0.09 0.76 113.55 122.99 2wp0 h SER 23 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2wp0 h SER 23 Cb 0.54 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2wp0 h SER 23 CO 0.00 0.01 -0.28 0.61 -0.87 0.00 0.00 176.83 176.30 2wp0 n GLY 24 N -1.67 -1.41 0.26 -0.77 0.00 -1.26 -4.44 105.19 95.89 2wp0 n GLY 24 Ca 0.27 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2wp0 n GLY 24 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2wp0 n TRP 25 N -1.66 0.29 -0.08 1.61 4.27 0.26 -0.69 117.44 121.43 2wp0 n TRP 25 Ca 0.06 0.88 -0.13 0.00 -3.89 0.00 0.00 57.50 54.41 2wp0 n TRP 25 Cb 0.36 -0.94 -0.05 0.00 -1.36 0.00 0.00 31.31 29.32 2wp0 n TRP 25 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 2wp0 h LEU 26 N 0.00 0.65 -0.20 5.67 5.85 -1.83 -2.98 115.31 122.46 2wp0 h LEU 26 Ca 0.36 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2wp0 h LEU 26 Cb 0.59 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2wp0 h LEU 26 CO -0.73 1.00 -0.30 1.05 -0.34 0.00 0.00 178.44 179.12 2wp0 h GLU 27 N 0.32 0.56 -6.92 1.25 4.11 -1.36 -3.17 114.58 109.37 2wp0 h GLU 27 Ca 0.04 -0.33 -0.53 0.00 0.07 0.00 0.00 59.36 58.61 2wp0 h GLU 27 Cb 0.82 0.03 0.08 0.00 0.50 0.00 0.00 28.75 30.18 2wp0 h GLU 27 CO 0.06 0.93 0.67 -0.51 0.07 0.00 0.00 179.01 180.24 2wp0 s LEU 28 N -8.91 4.34 0.00 3.06 1.43 0.13 -0.55 118.68 118.18 2wp0 s LEU 28 Ca -0.13 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2wp0 s LEU 28 Cb 0.07 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2wp0 s LEU 28 CO 0.81 -0.72 0.00 -1.84 0.23 0.00 0.00 176.35 174.83 2wp0 n GLU 29 N 0.52 0.00 -1.84 1.70 0.28 -1.26 -4.70 120.64 115.34 2wp0 n GLU 29 Ca 0.01 0.05 -0.42 0.00 -0.16 0.00 0.00 57.16 56.64 2wp0 n GLU 29 Cb 0.41 -3.04 -0.03 0.00 1.43 0.00 0.00 31.44 30.22 2wp0 n GLU 29 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2wp0 s ARG 30 N -0.21 4.17 0.06 3.44 0.52 0.29 -4.91 118.95 122.32 2wp0 s ARG 30 Ca 0.00 2.48 -0.00 0.00 -0.52 0.00 0.00 55.73 57.69 2wp0 s ARG 30 Cb 0.00 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.37 2wp0 s ARG 30 CO 0.00 -0.67 0.08 -1.13 0.02 0.00 0.00 175.30 173.60 2wp0 n SER 31 N 3.85 0.10 0.05 0.23 3.41 -1.26 -4.96 113.62 115.04 2wp0 n SER 31 Ca 0.14 -1.08 0.09 0.00 -0.26 0.00 0.00 58.87 57.76 2wp0 n SER 31 Cb 0.37 -0.05 0.38 0.00 -0.26 0.00 0.00 64.21 64.65 2wp0 n SER 31 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wp0 n SER 32 N -2.99 0.24 -0.26 4.04 7.64 -1.26 -3.24 113.62 117.78 2wp0 n SER 32 Ca 0.01 0.56 0.33 0.00 1.01 0.00 0.00 58.87 60.78 2wp0 n SER 32 Cb 0.04 -0.61 0.74 0.00 -1.01 0.00 0.00 64.21 63.38 2wp0 n SER 32 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2wp0 h TYR 33 N 0.00 0.00 -0.44 1.43 -0.00 -1.93 0.05 116.97 116.08 2wp0 h TYR 33 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 2wp0 h TYR 33 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.01 2wp0 h TYR 33 CO 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 178.16 178.22 2wp0 h ALA 34 N 1.47 0.59 -0.21 0.10 0.00 -1.97 -2.87 119.26 116.36 2wp0 h ALA 34 Ca 0.51 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2wp0 h ALA 34 Cb 2.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2wp0 h ALA 34 CO -0.01 0.32 -0.32 -0.22 0.00 0.00 0.00 179.25 179.03 2wp0 h LYS 35 N 0.60 0.44 0.33 0.00 3.64 -1.27 0.22 116.57 120.52 2wp0 h LYS 35 Ca 0.13 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2wp0 h LYS 35 Cb 0.40 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wp0 h LYS 35 CO 0.01 0.71 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.67 2wp0 h LEU 36 N 0.38 -0.37 -0.26 5.20 4.07 -1.43 0.22 115.31 123.12 2wp0 h LEU 36 Ca 0.05 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.07 2wp0 h LEU 36 Cb 0.74 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.52 2wp0 h LEU 36 CO 0.06 -0.26 -0.13 0.40 -1.08 0.00 0.00 178.44 177.44 2wp0 h ILE 37 N -0.45 0.61 -0.34 1.22 2.04 -1.28 0.33 117.51 119.64 2wp0 h ILE 37 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2wp0 h ILE 37 Cb 0.34 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2wp0 h ILE 37 CO 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 178.15 177.79 2wp0 h ALA 38 N 1.12 -0.67 -0.12 1.87 0.00 -0.21 0.55 119.26 121.80 2wp0 h ALA 38 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wp0 h ALA 38 Cb 0.30 1.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2wp0 h ALA 38 CO -0.32 -0.88 0.08 1.96 0.00 0.00 0.00 179.25 180.09 2wp0 h GLN 39 N -0.30 0.16 -0.73 0.00 4.20 0.03 0.10 115.11 118.57 2wp0 h GLN 39 Ca 0.06 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.89 2wp0 h GLN 39 Cb 0.46 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 2wp0 h GLN 39 CO -0.48 0.11 0.31 1.15 -0.67 0.00 0.00 178.83 179.25 2wp0 h THR 40 N 0.16 0.71 0.57 -0.54 2.02 -0.14 0.28 112.91 115.97 2wp0 h THR 40 Ca 0.04 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2wp0 h THR 40 Cb -0.01 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2wp0 h THR 40 CO -0.01 0.09 -0.27 0.40 0.37 0.00 0.00 175.52 176.10 2wp0 h ILE 41 N 0.48 0.44 -0.66 3.11 2.04 0.10 -0.17 117.51 122.86 2wp0 h ILE 41 Ca 0.39 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 66.34 2wp0 h ILE 41 Cb 0.54 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 36.96 2wp0 h ILE 41 CO -0.36 0.01 -0.11 0.28 0.00 0.00 0.00 178.15 177.96 2wp0 h SER 42 N -0.79 -0.52 -0.19 1.72 0.02 -0.35 0.24 113.55 113.69 2wp0 h SER 42 Ca -0.08 0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2wp0 h SER 42 Cb 0.59 0.37 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2wp0 h SER 42 CO 0.13 -0.19 -0.47 -0.74 -1.14 0.00 0.00 176.83 174.42 2wp0 h HIS 43 N 0.03 -1.40 -0.59 3.45 -0.00 -0.03 -0.48 115.15 116.13 2wp0 h HIS 43 Ca 0.33 0.06 0.06 0.00 -0.00 0.00 0.00 60.37 60.82 2wp0 h HIS 43 Cb 0.52 0.63 -0.06 0.00 -0.00 0.00 0.00 27.41 28.50 2wp0 h HIS 43 CO -0.49 -0.45 0.28 0.28 -0.00 0.00 0.00 177.93 177.56 2wp0 h VAL 44 N -0.44 0.90 0.00 5.26 2.07 0.01 -1.72 116.25 122.33 2wp0 h VAL 44 Ca 0.04 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2wp0 h VAL 44 Cb 0.55 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2wp0 h VAL 44 CO -0.41 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.45 2wp0 n LEU 45 N -4.89 0.46 -0.75 2.57 4.32 0.75 -1.07 117.00 118.39 2wp0 n LEU 45 Ca 0.07 0.62 0.11 0.00 -0.02 0.00 0.00 56.01 56.79 2wp0 n LEU 45 Cb 0.19 -0.57 0.31 0.00 -1.62 0.00 0.00 43.42 41.73 2wp0 n LEU 45 CO 0.27 -0.50 0.74 0.59 -1.22 0.00 0.00 177.39 177.27 2wp0 n ASN 46 N -2.01 2.23 0.00 -1.43 3.02 -0.24 -4.92 115.26 111.91 2wp0 n ASN 46 Ca 0.02 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2wp0 n ASN 46 Cb 0.19 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2wp0 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wp0 n GLY 47 N 1.24 0.82 3.23 7.41 0.00 -0.23 -5.06 105.19 112.60 2wp0 n GLY 47 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2wp0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wp0 n GLY 48 N -2.00 -2.58 3.47 -0.02 0.00 -1.04 -4.87 105.19 98.15 2wp0 n GLY 48 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 2wp0 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wp0 s SER 49 N -1.99 3.43 -0.29 1.61 1.04 0.26 -4.65 113.70 113.11 2wp0 s SER 49 Ca 0.54 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2wp0 s SER 49 Cb -0.11 -0.28 0.08 0.00 0.10 0.00 0.00 66.02 65.81 2wp0 s SER 49 CO 0.59 -0.10 -0.00 -0.76 0.98 0.00 0.00 173.24 173.95 2wp0 s LEU 50 N -3.51 3.62 -0.50 2.42 1.43 -0.47 0.27 118.68 121.95 2wp0 s LEU 50 Ca 0.30 -1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 51.50 2wp0 s LEU 50 Cb -0.01 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.85 2wp0 s LEU 50 CO 0.14 -0.31 0.67 -0.76 0.23 0.00 0.00 176.35 176.32 2wp0 s LEU 51 N 1.16 4.73 -0.19 1.79 1.02 0.39 0.63 118.68 128.20 2wp0 s LEU 51 Ca 0.03 -0.70 -0.15 0.00 0.02 0.00 0.00 54.13 53.33 2wp0 s LEU 51 Cb -0.19 -2.56 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 2wp0 s LEU 51 CO -0.09 -0.91 0.34 -0.69 0.02 0.00 0.00 176.35 175.02 2wp0 s VAL 52 N 2.86 5.24 0.17 -1.59 1.01 0.22 -1.28 120.40 127.04 2wp0 s VAL 52 Ca 0.19 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.84 2wp0 s VAL 52 Cb -0.17 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2wp0 s VAL 52 CO 0.15 0.30 -0.13 -0.94 0.00 0.00 0.00 175.10 174.48 2wp0 s SER 53 N 0.90 2.19 -0.03 3.32 1.04 -0.72 -1.10 113.70 119.30 2wp0 s SER 53 Ca 0.17 -1.00 -0.13 0.00 0.48 0.00 0.00 55.95 55.47 2wp0 s SER 53 Cb -0.14 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.92 2wp0 s SER 53 CO 0.07 -0.24 0.29 0.00 0.98 0.00 0.00 173.24 174.34 2wp0 s ALA 54 N -3.05 -0.73 0.82 5.32 0.00 -1.26 -2.06 121.76 120.79 2wp0 s ALA 54 Ca 0.19 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 2wp0 s ALA 54 Cb 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.16 2wp0 s ALA 54 CO 0.04 -0.23 1.11 0.16 0.00 0.00 0.00 175.76 176.83 2wp0 s ASP 55 N -1.02 3.99 0.00 0.00 1.47 -0.97 -4.85 116.67 115.29 2wp0 s ASP 55 Ca -0.11 1.92 0.03 0.00 1.18 0.00 0.00 52.55 55.57 2wp0 s ASP 55 Cb -0.05 -2.52 0.16 0.00 -0.34 0.00 0.00 42.92 40.17 2wp0 s ASP 55 CO 0.03 -2.38 0.95 -1.54 0.68 0.00 0.00 175.17 172.92 2wp0 n SER 56 N -3.75 0.00 0.03 2.11 3.41 -1.26 -0.52 113.62 113.65 2wp0 n SER 56 Ca 0.10 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 2wp0 n SER 56 Cb 0.53 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2wp0 n SER 56 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wp0 n SER 57 N -1.32 0.59 -2.10 4.04 7.64 -1.26 -4.39 113.62 116.83 2wp0 n SER 57 Ca 0.01 -0.12 -0.26 0.00 1.01 0.00 0.00 58.87 59.51 2wp0 n SER 57 Cb 0.03 0.85 0.03 0.00 -1.01 0.00 0.00 64.21 64.11 2wp0 n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wp0 n ARG 58 N -2.09 3.42 -0.04 1.43 3.00 0.33 -4.72 116.66 117.99 2wp0 n ARG 58 Ca 0.01 -4.00 -0.13 0.00 -0.01 0.00 0.00 57.85 53.73 2wp0 n ARG 58 Cb 0.46 -2.28 -0.07 0.00 0.00 0.00 0.00 32.46 30.57 2wp0 n ARG 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2wp0 h HIS 59 N 2.16 0.30 -1.30 -1.55 3.86 -1.76 -2.75 115.15 114.10 2wp0 h HIS 59 Ca 0.42 -0.08 0.40 0.00 -1.16 0.00 0.00 60.37 59.94 2wp0 h HIS 59 Cb 1.37 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 29.67 2wp0 h HIS 59 CO 0.97 0.63 0.86 0.11 0.86 0.00 0.00 177.93 181.37 2wp0 h TRP 60 N -0.12 0.44 0.18 2.45 5.08 -1.94 0.11 115.95 122.16 2wp0 h TRP 60 Ca 0.02 0.02 -0.31 0.00 1.08 0.00 0.00 58.89 59.70 2wp0 h TRP 60 Cb 0.57 -0.11 0.02 0.00 -3.00 0.00 0.00 29.16 26.63 2wp0 h TRP 60 CO 0.08 -0.10 -1.43 0.35 -1.28 0.00 0.00 178.44 176.05 2wp0 h PHE 61 N 0.14 0.70 -0.36 0.12 3.57 -1.86 -0.97 116.94 118.27 2wp0 h PHE 61 Ca 0.75 -0.51 0.04 0.00 3.53 0.00 0.00 57.97 61.78 2wp0 h PHE 61 Cb 2.40 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 41.07 2wp0 h PHE 61 CO -0.00 1.44 0.11 1.25 -2.23 0.00 0.00 178.31 178.89 2wp0 h LEU 62 N 0.10 0.11 -0.14 0.59 6.46 -0.91 0.15 115.31 121.67 2wp0 h LEU 62 Ca -0.22 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2wp0 h LEU 62 Cb 2.07 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.99 2wp0 h LEU 62 CO 0.22 0.10 -0.12 -1.13 -0.62 0.00 0.00 178.44 176.89 2wp0 h ASN 63 N 0.26 -0.38 -0.81 1.25 -0.73 -0.82 -0.63 115.58 113.72 2wp0 h ASN 63 Ca 0.16 0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.53 2wp0 h ASN 63 Cb 0.15 0.19 -0.08 0.00 0.27 0.00 0.00 38.32 38.85 2wp0 h ASN 63 CO -0.18 -0.16 0.42 0.22 -0.37 0.00 0.00 177.43 177.37 2wp0 h TYR 64 N -0.13 0.75 -0.14 0.67 3.20 -0.86 -0.88 116.97 119.57 2wp0 h TYR 64 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2wp0 h TYR 64 Cb 0.27 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2wp0 h TYR 64 CO -0.25 0.23 0.02 0.82 -1.64 0.00 0.00 178.16 177.35 2wp0 h ILE 65 N 0.66 1.22 -0.71 1.81 2.04 0.05 -1.31 117.51 121.26 2wp0 h ILE 65 Ca 0.42 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2wp0 h ILE 65 Cb 0.51 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2wp0 h ILE 65 CO -0.31 0.20 0.45 -0.07 0.00 0.00 0.00 178.15 178.42 2wp0 h LEU 66 N 0.01 0.84 0.00 1.44 4.07 -0.51 -1.67 115.31 119.49 2wp0 h LEU 66 Ca 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wp0 h LEU 66 Cb 0.29 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.82 2wp0 h LEU 66 CO 0.00 0.63 -0.36 0.77 -1.08 0.00 0.00 178.44 178.40 2wp0 h SER 67 N 0.97 0.00 0.55 -0.43 4.64 -1.15 -2.82 113.55 115.30 2wp0 h SER 67 Ca 0.26 -0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.29 2wp0 h SER 67 Cb -0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 2wp0 h SER 67 CO -0.05 0.00 -1.59 0.78 -0.87 0.00 0.00 176.83 175.10 2wp0 h ASN 68 N 0.00 0.07 -0.27 4.97 2.35 -0.99 -2.86 115.58 118.85 2wp0 h ASN 68 Ca 0.00 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 2wp0 h ASN 68 Cb 0.99 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 2wp0 h ASN 68 CO 0.00 1.11 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.61 2wp0 h LEU 69 N 0.01 0.66 -6.99 1.61 3.38 -1.40 -3.38 115.31 109.19 2wp0 h LEU 69 Ca -0.24 -0.45 -0.62 0.00 0.09 0.00 0.00 57.88 56.66 2wp0 h LEU 69 Cb 1.97 -0.18 -0.41 0.00 0.09 0.00 0.00 40.66 42.13 2wp0 h LEU 69 CO 0.10 0.97 -0.68 0.20 0.09 0.00 0.00 178.44 179.12 2wp0 s ASN 70 N -6.40 3.97 0.74 -0.43 0.01 -1.06 -4.70 114.94 107.06 2wp0 s ASN 70 Ca -0.13 -3.37 -0.11 0.00 -0.71 0.00 0.00 52.86 48.54 2wp0 s ASN 70 Cb 0.08 -1.33 0.04 0.00 0.41 0.00 0.00 41.25 40.45 2wp0 s ASN 70 CO 0.81 -0.15 1.08 -2.16 -1.51 0.00 0.00 177.10 175.16 2wp0 s PRO 71 N -0.69 2.53 0.14 -0.60 0.04 -1.08 -4.58 135.00 130.76 2wp0 s PRO 71 Ca 0.24 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 2wp0 s PRO 71 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2wp0 s PRO 71 CO -0.11 -1.43 1.65 0.87 0.04 0.00 0.00 177.00 178.02 2wp0 h LYS 72 N -0.89 -0.23 -4.56 4.56 1.57 -1.98 -3.19 116.57 111.86 2wp0 h LYS 72 Ca -0.44 0.02 -0.73 0.00 -1.87 0.00 0.00 60.65 57.63 2wp0 h LYS 72 Cb 1.22 0.05 -0.21 0.00 0.08 0.00 0.00 32.23 33.38 2wp0 h LYS 72 CO 0.53 -0.15 0.44 0.34 -0.57 0.00 0.00 179.45 180.04 2wp0 s ASP 73 N -5.03 6.58 0.58 0.86 -1.08 -1.26 -4.89 116.67 112.42 2wp0 s ASP 73 Ca -0.15 -2.13 0.27 0.00 -0.52 0.00 0.00 52.55 50.03 2wp0 s ASP 73 Cb 0.11 -2.32 1.58 0.00 -1.46 0.00 0.00 42.92 40.84 2wp0 s ASP 73 CO 0.68 -0.91 2.08 -0.07 0.52 0.00 0.00 175.17 177.46 2wp0 h LEU 74 N 9.44 0.00 0.00 -1.34 3.38 -1.94 -3.47 115.31 121.38 2wp0 h LEU 74 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wp0 h LEU 74 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2wp0 h LEU 74 CO 0.99 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.81 2wp0 n LYS 75 N -3.93 0.00 -0.04 1.13 5.02 -1.26 -2.05 118.16 117.02 2wp0 n LYS 75 Ca 0.03 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.35 2wp0 n LYS 75 Cb 0.37 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.43 2wp0 n LYS 75 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wp0 n GLU 76 N 6.60 1.14 -0.87 1.97 -0.58 -1.26 -5.02 120.64 122.62 2wp0 n GLU 76 Ca 0.00 -1.29 -0.33 0.00 -0.42 0.00 0.00 57.16 55.12 2wp0 n GLU 76 Cb 0.00 -1.15 0.13 0.00 -0.57 0.00 0.00 31.44 29.85 2wp0 n GLU 76 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wp0 n ARG 77 N 0.30 -0.18 -1.08 3.49 1.74 -0.87 -5.01 116.66 115.05 2wp0 n ARG 77 Ca 0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 2wp0 n ARG 77 Cb 0.25 -2.08 0.14 0.00 -1.02 0.00 0.00 32.46 29.75 2wp0 n ARG 77 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2wp0 s PRO 78 N -3.85 1.27 -0.41 5.56 0.02 -1.26 -4.99 135.00 131.33 2wp0 s PRO 78 Ca 0.63 1.03 -0.23 0.00 0.02 0.00 0.00 61.00 62.45 2wp0 s PRO 78 Cb -0.25 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.50 2wp0 s PRO 78 CO 0.61 -2.29 0.76 -1.17 -0.33 0.00 0.00 177.00 174.58 2wp0 s LEU 79 N -6.30 4.23 0.17 -5.54 2.96 -1.26 -4.98 118.68 107.96 2wp0 s LEU 79 Ca 0.64 0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.35 2wp0 s LEU 79 Cb -0.19 -2.95 -0.08 0.00 0.50 0.00 0.00 46.19 43.47 2wp0 s LEU 79 CO 0.58 -0.82 0.76 -0.76 -1.32 0.00 0.00 176.35 174.78 2wp0 s LEU 80 N 3.14 4.55 -1.14 -0.68 1.43 -1.26 -4.95 118.68 119.77 2wp0 s LEU 80 Ca 0.29 1.59 -0.21 0.00 -1.03 0.00 0.00 54.13 54.77 2wp0 s LEU 80 Cb -0.13 -3.33 0.03 0.00 0.03 0.00 0.00 46.19 42.79 2wp0 s LEU 80 CO 0.20 0.18 1.69 -0.55 0.23 0.00 0.00 176.35 178.10 2wp0 s SER 81 N -1.23 6.26 -0.09 2.29 0.15 -1.26 -4.93 113.70 114.89 2wp0 s SER 81 Ca 0.37 -1.77 0.03 0.00 0.70 0.00 0.00 55.95 55.28 2wp0 s SER 81 Cb -0.22 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2wp0 s SER 81 CO 0.25 -1.75 -0.20 -0.69 1.20 0.00 0.00 173.24 172.05 2wp0 s VAL 82 N 6.16 1.76 -0.12 4.45 1.01 -1.26 -1.37 120.40 131.03 2wp0 s VAL 82 Ca 0.55 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2wp0 s VAL 82 Cb 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2wp0 s VAL 82 CO 0.01 0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 174.75 2wp0 s ILE 83 N 0.50 2.06 -0.90 2.22 1.09 0.20 -4.95 121.20 121.42 2wp0 s ILE 83 Ca -0.16 -1.00 -0.24 0.00 -1.10 0.00 0.00 60.65 58.15 2wp0 s ILE 83 Cb -0.17 -1.80 -0.02 0.00 -1.06 0.00 0.00 42.46 39.41 2wp0 s ILE 83 CO 0.06 0.55 1.80 -0.62 -0.10 0.00 0.00 174.94 176.64 2wp0 s ASP 84 N 0.63 5.51 0.35 3.58 2.15 -1.26 0.72 116.67 128.34 2wp0 s ASP 84 Ca -0.12 -0.78 0.19 0.00 0.43 0.00 0.00 52.55 52.27 2wp0 s ASP 84 Cb -0.16 -2.56 0.18 0.00 -0.30 0.00 0.00 42.92 40.08 2wp0 s ASP 84 CO 0.02 -2.39 1.51 0.15 -0.17 0.00 0.00 175.17 174.29 2wp0 h PHE 85 N 11.18 0.00 -0.54 -5.34 3.57 -1.42 -3.05 116.94 121.35 2wp0 h PHE 85 Ca 0.08 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2wp0 h PHE 85 Cb 1.02 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 2wp0 h PHE 85 CO 1.22 0.28 0.11 -0.91 -2.23 0.00 0.00 178.31 176.78 2wp0 h ASN 86 N 0.00 0.01 0.36 0.41 -0.26 -1.83 -2.89 115.58 111.39 2wp0 h ASN 86 Ca -0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2wp0 h ASN 86 Cb 1.21 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.60 2wp0 h ASN 86 CO 0.04 0.03 -0.08 0.00 -1.06 0.00 0.00 177.43 176.35 2wp0 n ALA 87 N -2.55 2.71 -1.71 -0.83 0.00 -1.15 -4.86 120.51 112.12 2wp0 n ALA 87 Ca 0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 2wp0 n ALA 87 Cb 0.27 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.38 2wp0 n ALA 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wp0 s SER 88 N -2.44 5.85 0.50 0.00 0.15 -1.09 -4.95 113.70 111.72 2wp0 s SER 88 Ca 0.30 1.57 0.29 0.00 0.70 0.00 0.00 55.95 58.82 2wp0 s SER 88 Cb 0.20 -2.49 1.24 0.00 -1.71 0.00 0.00 66.02 63.26 2wp0 s SER 88 CO 0.46 -1.12 1.95 0.28 1.20 0.00 0.00 173.24 176.01 2wp0 h SER 89 N -0.25 0.00 0.57 5.45 0.02 -1.91 -3.13 113.55 114.31 2wp0 h SER 89 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2wp0 h SER 89 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2wp0 h SER 89 CO 0.59 0.12 -0.52 0.49 -1.14 0.00 0.00 176.83 176.37 2wp0 n PHE 90 N -3.32 0.09 -1.67 3.45 3.72 -1.26 -4.89 117.46 113.58 2wp0 n PHE 90 Ca -0.00 0.03 -0.53 0.00 -0.05 0.00 0.00 57.45 56.90 2wp0 n PHE 90 Cb 0.34 -0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 2wp0 n PHE 90 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2wp0 n TYR 91 N -1.61 2.02 -2.45 1.38 9.36 -1.18 -4.60 117.16 120.08 2wp0 n TYR 91 Ca 0.05 0.40 -0.42 0.00 3.32 0.00 0.00 57.90 61.26 2wp0 n TYR 91 Cb 0.35 -2.49 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 2wp0 n TYR 91 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2wp0 s PRO 92 N 2.67 4.49 0.00 2.98 0.05 -1.26 -4.94 135.00 139.00 2wp0 s PRO 92 Ca 0.92 1.76 0.00 0.00 0.05 0.00 0.00 61.00 63.73 2wp0 s PRO 92 Cb -0.91 -3.31 0.00 0.00 0.05 0.00 0.00 34.50 30.32 2wp0 s PRO 92 CO 0.55 -0.12 0.00 1.63 0.05 0.00 0.00 177.00 179.11 2wp0 n LYS 93 N 3.22 0.00 -3.42 4.56 4.01 -1.26 -4.45 118.16 120.82 2wp0 n LYS 93 Ca 0.06 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.42 2wp0 n LYS 93 Cb 0.46 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.91 2wp0 n LYS 93 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2wp0 s ASN 94 N 1.00 6.00 0.00 4.39 3.84 -1.26 -4.42 114.94 124.49 2wp0 s ASN 94 Ca 0.00 -1.70 0.00 0.00 0.21 0.00 0.00 52.86 51.37 2wp0 s ASN 94 Cb 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.57 2wp0 s ASN 94 CO 0.00 -0.75 0.00 -0.67 -2.79 0.00 0.00 177.10 172.89 2wp0 n ASP 95 N 5.12 0.00 0.21 -4.21 4.64 -1.26 -4.99 116.55 116.06 2wp0 n ASP 95 Ca -0.12 0.00 0.10 0.00 -1.38 0.00 0.00 54.79 53.39 2wp0 n ASP 95 Cb 0.41 0.00 0.31 0.00 -1.04 0.00 0.00 41.12 40.80 2wp0 n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wp0 h ALA 96 N 0.00 0.93 -0.48 -1.67 0.00 -1.85 -2.98 119.26 113.20 2wp0 h ALA 96 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2wp0 h ALA 96 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wp0 h ALA 96 CO 0.00 0.25 0.05 -0.91 0.00 0.00 0.00 179.25 178.64 2wp0 h ASN 97 N 0.00 0.73 0.03 0.00 -0.26 -1.94 0.54 115.58 114.67 2wp0 h ASN 97 Ca -0.00 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.50 2wp0 h ASN 97 Cb 0.94 -0.19 0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2wp0 h ASN 97 CO 0.03 0.77 -0.34 -0.07 -1.06 0.00 0.00 177.43 176.75 2wp0 h LEU 98 N 0.73 0.25 -0.74 1.61 4.07 -1.94 -1.76 115.31 117.53 2wp0 h LEU 98 Ca 0.15 -0.86 0.14 0.00 0.08 0.00 0.00 57.88 57.39 2wp0 h LEU 98 Cb 0.38 -0.08 -0.14 0.00 1.08 0.00 0.00 40.66 41.90 2wp0 h LEU 98 CO 0.01 1.08 -0.23 0.28 -1.08 0.00 0.00 178.44 178.50 2wp0 h SER 99 N -0.55 -0.85 -0.01 -0.43 0.02 -1.36 -1.17 113.55 109.20 2wp0 h SER 99 Ca -0.05 0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2wp0 h SER 99 Cb 1.16 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 2wp0 h SER 99 CO 0.07 -0.27 -0.44 0.25 -1.14 0.00 0.00 176.83 175.30 2wp0 h LEU 100 N -0.04 0.58 -0.13 5.07 5.85 0.11 -0.67 115.31 126.09 2wp0 h LEU 100 Ca 0.34 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 2wp0 h LEU 100 Cb 0.56 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2wp0 h LEU 100 CO -0.78 0.94 -0.47 0.00 -0.34 0.00 0.00 178.44 177.79 2wp0 h ALA 101 N 1.09 0.22 -0.38 1.25 0.00 -0.85 -2.06 119.26 118.53 2wp0 h ALA 101 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2wp0 h ALA 101 Cb 0.94 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2wp0 h ALA 101 CO 0.08 0.38 0.06 1.15 0.00 0.00 0.00 179.25 180.93 2wp0 h THR 102 N 0.15 1.24 0.18 0.00 2.02 -1.12 -1.53 112.91 113.84 2wp0 h THR 102 Ca -0.02 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.32 2wp0 h THR 102 Cb 1.10 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2wp0 h THR 102 CO 0.10 0.29 -0.21 0.40 0.37 0.00 0.00 175.52 176.47 2wp0 h ILE 103 N 0.48 0.53 -0.15 3.11 2.04 -1.16 0.19 117.51 122.55 2wp0 h ILE 103 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2wp0 h ILE 103 Cb 0.36 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2wp0 h ILE 103 CO 0.01 0.00 0.14 -0.33 0.00 0.00 0.00 178.15 177.97 2wp0 h GLU 104 N -0.44 0.00 0.07 2.37 5.08 -1.15 -2.26 114.58 118.26 2wp0 h GLU 104 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 2wp0 h GLU 104 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2wp0 h GLU 104 CO -0.07 0.00 -1.60 1.98 -1.00 0.00 0.00 179.01 178.31 2wp0 h MET 105 N 0.00 0.15 0.00 2.33 4.05 -0.14 -3.38 114.93 117.95 2wp0 h MET 105 Ca 0.07 -0.26 -0.11 0.00 -0.28 0.00 0.00 59.70 59.12 2wp0 h MET 105 Cb 0.35 0.10 0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2wp0 h MET 105 CO -0.00 0.94 -0.43 1.15 0.23 0.00 0.00 176.91 178.79 2wp0 h THR 106 N 0.04 1.49 -2.78 -0.77 2.02 -0.39 -3.46 112.91 109.06 2wp0 h THR 106 Ca -0.26 -2.04 -0.49 0.00 0.77 0.00 0.00 66.41 64.39 2wp0 h THR 106 Cb 1.99 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 71.12 2wp0 h THR 106 CO 0.12 0.58 -0.25 -0.31 0.37 0.00 0.00 175.52 176.03 2wp0 s TYR 107 N -3.12 3.49 -0.07 3.16 2.02 -0.88 -5.02 117.35 116.93 2wp0 s TYR 107 Ca -0.15 0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 2wp0 s TYR 107 Cb 0.02 -1.87 -0.29 0.00 -0.40 0.00 0.00 41.96 39.42 2wp0 s TYR 107 CO 0.78 0.23 0.64 1.96 -1.57 0.00 0.00 175.55 177.59 2wp0 h GLN 108 N 1.22 0.32 -0.46 -0.62 4.20 -1.89 -3.45 115.11 114.43 2wp0 h GLN 108 Ca -0.49 -0.55 -0.29 0.00 0.06 0.00 0.00 58.65 57.38 2wp0 h GLN 108 Cb 1.21 0.20 -0.19 0.00 0.30 0.00 0.00 27.48 29.00 2wp0 h GLN 108 CO 0.63 1.26 -0.62 -1.71 -0.67 0.00 0.00 178.83 177.73 2wp0 n ASN 109 N -3.80 -2.28 -4.80 1.46 5.15 -1.26 -5.06 115.26 104.67 2wp0 n ASN 109 Ca -0.24 -3.16 -0.32 0.00 -0.60 0.00 0.00 54.58 50.26 2wp0 n ASN 109 Cb 0.97 1.31 0.04 0.00 -0.53 0.00 0.00 39.78 41.57 2wp0 n ASN 109 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wp0 s PRO 110 N 0.32 2.97 -0.01 1.20 0.04 -1.26 0.90 135.00 139.15 2wp0 s PRO 110 Ca 0.33 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2wp0 s PRO 110 Cb 0.21 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.76 2wp0 s PRO 110 CO -0.21 -1.09 0.03 1.41 0.04 0.00 0.00 177.00 177.18 2wp0 s MET 111 N -4.55 0.10 -0.14 4.56 1.75 0.14 -4.44 119.30 116.73 2wp0 s MET 111 Ca 0.62 -0.08 -0.20 0.00 -1.25 0.00 0.00 55.69 54.78 2wp0 s MET 111 Cb -0.16 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.52 2wp0 s MET 111 CO 0.47 -0.02 0.56 -0.06 -0.65 0.00 0.00 175.02 175.32 2wp0 s PHE 112 N -0.29 3.47 -0.44 4.11 0.08 0.12 -0.46 117.98 124.57 2wp0 s PHE 112 Ca -0.03 0.94 0.00 0.00 0.12 0.00 0.00 56.93 57.96 2wp0 s PHE 112 Cb -0.02 -2.67 0.12 0.00 -0.57 0.00 0.00 43.02 39.87 2wp0 s PHE 112 CO -0.00 0.03 0.21 -0.46 -0.10 0.00 0.00 175.22 174.90 2wp0 s TRP 113 N 1.12 3.55 0.07 0.36 -0.11 -0.40 0.41 118.94 123.94 2wp0 s TRP 113 Ca 0.28 -2.75 0.04 0.00 1.22 0.00 0.00 56.10 54.89 2wp0 s TRP 113 Cb -0.16 -3.08 -0.04 0.00 -1.50 0.00 0.00 33.47 28.69 2wp0 s TRP 113 CO 0.12 -0.91 0.02 -1.58 -4.62 0.00 0.00 176.95 169.97 2wp0 s HIS 114 N 0.65 3.05 -0.17 5.86 5.65 -1.06 -1.76 115.29 127.51 2wp0 s HIS 114 Ca 0.12 0.01 -0.04 0.00 0.25 0.00 0.00 55.06 55.40 2wp0 s HIS 114 Cb -0.22 -1.58 0.06 0.00 -1.18 0.00 0.00 32.58 29.67 2wp0 s HIS 114 CO -0.05 0.49 0.07 0.08 -0.65 0.00 0.00 174.74 174.68 2wp0 s VAL 115 N -1.30 0.15 0.00 0.89 1.01 -0.88 -0.65 120.40 119.63 2wp0 s VAL 115 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2wp0 s VAL 115 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2wp0 s VAL 115 CO 0.18 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2wp0 n GLY 116 N 5.19 -0.37 3.75 4.51 0.00 0.12 -2.28 105.19 116.11 2wp0 n GLY 116 Ca -0.08 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 2wp0 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wp0 s LYS 117 N 0.00 4.22 -0.69 1.61 1.02 -1.26 -4.35 119.74 120.28 2wp0 s LYS 117 Ca 0.00 2.39 -0.24 0.00 0.02 0.00 0.00 55.97 58.14 2wp0 s LYS 117 Cb 0.00 -3.07 0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2wp0 s LYS 117 CO 0.00 -0.48 1.09 0.42 -0.92 0.00 0.00 175.35 175.47 2wp0 s ILE 118 N -0.13 4.08 -1.77 2.17 1.01 -1.26 -4.21 121.20 121.09 2wp0 s ILE 118 Ca 0.60 -0.04 0.27 0.00 0.00 0.00 0.00 60.65 61.47 2wp0 s ILE 118 Cb -0.44 -4.78 0.28 0.00 0.01 0.00 0.00 42.46 37.53 2wp0 s ILE 118 CO 0.46 -1.62 1.58 -0.62 0.00 0.00 0.00 174.94 174.74 2wp0 n GLU 119 N 8.39 0.85 -3.91 2.79 1.02 -1.26 -4.89 120.64 123.63 2wp0 n GLU 119 Ca -0.01 -0.49 -0.09 0.00 -0.02 0.00 0.00 57.16 56.55 2wp0 n GLU 119 Cb 0.47 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 2wp0 n GLU 119 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wp0 s ASN 120 N -2.49 0.10 0.31 1.62 4.22 -1.26 -5.04 114.94 112.40 2wp0 s ASN 120 Ca 0.25 -0.77 0.14 0.00 -2.14 0.00 0.00 52.86 50.34 2wp0 s ASN 120 Cb 0.19 0.37 0.46 0.00 1.28 0.00 0.00 41.25 43.56 2wp0 s ASN 120 CO 0.51 -0.79 1.65 -0.08 -2.04 0.00 0.00 177.10 176.35 2wp0 h GLU 121 N 2.68 0.00 0.06 3.55 4.57 -1.91 -2.04 114.58 121.48 2wp0 h GLU 121 Ca -0.33 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 2wp0 h GLU 121 Cb 1.21 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 2wp0 h GLU 121 CO 0.53 0.53 -0.19 0.78 -1.18 0.00 0.00 179.01 179.48 2wp0 h GLY 122 N 2.01 -0.32 1.24 1.92 0.00 -1.85 -0.85 103.07 105.23 2wp0 h GLY 122 Ca -0.01 0.23 -0.16 0.00 0.00 0.00 0.00 47.33 47.39 2wp0 h GLY 122 CO 0.07 -0.18 -0.45 -2.00 0.00 0.00 0.00 176.54 173.98 2wp0 h LEU 123 N -0.35 0.88 -0.23 3.11 5.85 -1.74 -2.82 115.31 120.01 2wp0 h LEU 123 Ca 0.04 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.39 2wp0 h LEU 123 Cb 0.39 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 2wp0 h LEU 123 CO -0.14 1.20 -0.19 0.50 -0.34 0.00 0.00 178.44 179.47 2wp0 h LYS 124 N 0.65 -0.18 -0.73 1.25 3.64 -1.26 -0.87 116.57 119.07 2wp0 h LYS 124 Ca 0.04 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2wp0 h LYS 124 Cb 1.03 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 2wp0 h LYS 124 CO 0.10 -0.12 0.48 1.15 -2.27 0.00 0.00 179.45 178.79 2wp0 h THR 125 N -0.19 0.89 0.15 1.00 2.02 -0.91 -0.62 112.91 115.24 2wp0 h THR 125 Ca 0.13 -0.19 -0.29 0.00 0.77 0.00 0.00 66.41 66.83 2wp0 h THR 125 Cb 0.39 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2wp0 h THR 125 CO -0.35 0.10 -1.35 0.40 0.37 0.00 0.00 175.52 174.70 2wp0 h ILE 126 N 0.55 1.39 0.00 3.11 2.04 -1.16 -2.67 117.51 120.77 2wp0 h ILE 126 Ca 0.34 -2.95 -0.06 0.00 1.00 0.00 0.00 64.86 63.19 2wp0 h ILE 126 Cb 0.59 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 2wp0 h ILE 126 CO -0.12 0.87 -0.30 -0.07 0.00 0.00 0.00 178.15 178.52 2wp0 h LEU 127 N 0.09 0.00 -0.03 1.44 3.38 -0.12 0.04 115.31 120.11 2wp0 h LEU 127 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wp0 h LEU 127 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 2wp0 h LEU 127 CO 0.21 0.30 -0.09 0.18 0.09 0.00 0.00 178.44 179.13 2wp0 n LEU 128 N -3.42 0.15 0.00 1.67 4.32 -0.34 -4.91 117.00 114.46 2wp0 n LEU 128 Ca 0.00 0.31 -0.06 0.00 -0.02 0.00 0.00 56.01 56.24 2wp0 n LEU 128 Cb 0.49 -0.37 0.06 0.00 -1.62 0.00 0.00 43.42 41.97 2wp0 n LEU 128 CO 0.35 0.03 0.08 -1.54 -1.22 0.00 0.00 177.39 175.09 2wp0 n SER 129 N -1.38 -2.25 -0.50 -1.43 3.41 0.00 -4.95 113.62 106.52 2wp0 n SER 129 Ca 0.09 -0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2wp0 n SER 129 Cb 0.31 -0.20 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2wp0 n SER 129 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wp0 n LYS 130 N -2.68 1.27 -1.73 4.33 4.76 -1.26 -4.90 118.16 117.94 2wp0 n LYS 130 Ca 0.03 -1.01 -0.42 0.00 -2.87 0.00 0.00 58.31 54.03 2wp0 n LYS 130 Cb 0.12 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 2wp0 n LYS 130 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wp0 n ILE 131 N 0.02 0.61 -1.46 -0.18 5.41 -1.26 -4.91 119.36 117.59 2wp0 n ILE 131 Ca 0.10 -0.15 -0.47 0.00 1.00 0.00 0.00 62.75 63.23 2wp0 n ILE 131 Cb 0.46 -1.95 -0.02 0.00 -0.71 0.00 0.00 39.64 37.42 2wp0 n ILE 131 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2wp0 n PRO 132 N 2.86 0.45 -4.40 0.38 -0.02 -1.26 -4.77 135.00 128.23 2wp0 n PRO 132 Ca 0.12 0.16 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 2wp0 n PRO 132 Cb 0.36 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.48 2wp0 n PRO 132 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wp0 s SER 133 N -0.86 2.34 -0.47 2.55 1.04 -1.26 -0.70 113.70 116.34 2wp0 s SER 133 Ca 0.62 -1.77 0.06 0.00 0.48 0.00 0.00 55.95 55.34 2wp0 s SER 133 Cb -0.85 0.60 0.18 0.00 0.10 0.00 0.00 66.02 66.05 2wp0 s SER 133 CO 0.57 -1.04 0.57 0.12 0.98 0.00 0.00 173.24 174.44 2wp0 s PHE 134 N -3.28 -0.69 -0.30 5.02 5.99 0.16 -4.84 117.98 120.05 2wp0 s PHE 134 Ca 0.32 -1.07 -0.18 0.00 0.00 0.00 0.00 56.93 55.99 2wp0 s PHE 134 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 43.02 42.90 2wp0 s PHE 134 CO 0.22 -1.11 0.53 -0.51 -0.00 0.00 0.00 175.22 174.35 2wp0 s LEU 135 N 0.74 4.16 -0.66 6.12 1.43 -1.26 -2.55 118.68 126.65 2wp0 s LEU 135 Ca 0.29 0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.63 2wp0 s LEU 135 Cb -0.00 -2.65 0.17 0.00 0.03 0.00 0.00 46.19 43.73 2wp0 s LEU 135 CO -0.09 -0.38 0.53 0.26 0.23 0.00 0.00 176.35 176.90 2wp0 s TRP 136 N 2.38 3.53 0.36 0.29 0.52 0.18 0.38 118.94 126.58 2wp0 s TRP 136 Ca 0.21 -2.29 0.09 0.00 0.02 0.00 0.00 56.10 54.12 2wp0 s TRP 136 Cb -0.15 -3.47 -0.06 0.00 -1.15 0.00 0.00 33.47 28.63 2wp0 s TRP 136 CO 0.11 -0.92 -0.01 -0.51 0.02 0.00 0.00 176.95 175.63 2wp0 s LEU 137 N 0.33 2.88 0.00 2.99 1.43 -0.57 0.13 118.68 125.86 2wp0 s LEU 137 Ca 0.15 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.31 2wp0 s LEU 137 Cb -0.18 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2wp0 s LEU 137 CO -0.05 -0.30 1.10 0.49 0.23 0.00 0.00 176.35 177.82 2wp0 n PHE 138 N -0.92 0.00 -3.68 0.29 3.72 -1.26 -0.84 117.46 114.77 2wp0 n PHE 138 Ca -0.04 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.26 2wp0 n PHE 138 Cb 0.64 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 39.06 2wp0 n PHE 138 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2wp0 s GLU 139 N -2.67 0.53 -1.16 -1.08 2.12 -1.26 -4.73 118.70 110.44 2wp0 s GLU 139 Ca 0.15 0.92 -0.19 0.00 0.36 0.00 0.00 54.97 56.21 2wp0 s GLU 139 Cb 0.18 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 2wp0 s GLU 139 CO 0.67 -0.14 1.94 -0.85 -0.54 0.00 0.00 175.26 176.34 2wp0 n GLU 140 N 4.03 2.25 -0.53 4.30 0.28 -1.26 -4.69 120.64 125.02 2wp0 n GLU 140 Ca -0.21 -2.54 0.41 0.00 -0.16 0.00 0.00 57.16 54.67 2wp0 n GLU 140 Cb 0.57 -3.37 0.66 0.00 1.43 0.00 0.00 31.44 30.73 2wp0 n GLU 140 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2wp0 n LEU 141 N 9.31 0.08 -3.51 -1.84 7.94 -1.26 -4.71 117.00 123.01 2wp0 n LEU 141 Ca 0.49 1.01 -0.16 0.00 -1.11 0.00 0.00 56.01 56.24 2wp0 n LEU 141 Cb 0.43 -0.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.83 2wp0 n LEU 141 CO 0.84 -1.05 0.48 -0.75 -1.11 0.00 0.00 177.39 175.80 2wp0 s LYS 142 N -4.78 1.03 0.13 1.96 2.47 -1.26 -5.04 119.74 114.25 2wp0 s LYS 142 Ca -0.05 0.11 -0.31 0.00 -1.56 0.00 0.00 55.97 54.16 2wp0 s LYS 142 Cb 0.25 0.48 -0.08 0.00 -1.46 0.00 0.00 37.83 37.02 2wp0 s LYS 142 CO 0.75 -0.35 1.56 0.93 0.16 0.00 0.00 175.35 178.40 2wp0 h GLU 143 N 2.76 -0.43 -5.69 4.03 5.08 -2.02 -3.27 114.58 115.04 2wp0 h GLU 143 Ca -0.27 0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.45 2wp0 h GLU 143 Cb 1.17 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 2wp0 h GLU 143 CO 0.38 -0.29 1.82 -0.51 -1.00 0.00 0.00 179.01 179.41 2wp0 s ASP 144 N -4.98 6.78 0.25 1.42 -0.00 -1.26 -4.91 116.67 113.97 2wp0 s ASP 144 Ca -0.15 -2.27 0.01 0.00 -0.00 0.00 0.00 52.55 50.14 2wp0 s ASP 144 Cb 0.09 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.44 2wp0 s ASP 144 CO 0.63 -1.18 0.21 0.00 -0.00 0.00 0.00 175.17 174.83 2wp0 s LEU 146 N -3.22 3.96 0.16 0.00 2.96 0.16 -4.86 118.68 117.85 2wp0 s LEU 146 Ca 0.38 -0.99 -0.28 0.00 -0.22 0.00 0.00 54.13 53.02 2wp0 s LEU 146 Cb 0.05 -1.82 -0.07 0.00 0.50 0.00 0.00 46.19 44.84 2wp0 s LEU 146 CO 0.17 -0.25 0.88 -0.76 -1.32 0.00 0.00 176.35 175.07 2wp0 s LEU 147 N 1.40 4.57 -0.04 -0.68 1.43 -1.26 -1.52 118.68 122.58 2wp0 s LEU 147 Ca -0.01 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2wp0 s LEU 147 Cb -0.18 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2wp0 s LEU 147 CO 0.01 0.09 -0.07 -0.76 0.23 0.00 0.00 176.35 175.86 2wp0 s LEU 148 N -0.72 1.50 -0.15 1.79 1.43 -0.02 -4.95 118.68 117.57 2wp0 s LEU 148 Ca 0.41 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2wp0 s LEU 148 Cb -0.24 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 2wp0 s LEU 148 CO 0.29 -0.01 1.89 -0.54 0.23 0.00 0.00 176.35 178.21 2wp0 s LYS 149 N 0.71 3.70 0.12 1.70 1.02 -1.26 -4.40 119.74 121.33 2wp0 s LYS 149 Ca -0.11 2.04 -0.17 0.00 0.02 0.00 0.00 55.97 57.74 2wp0 s LYS 149 Cb -0.14 -4.17 -0.03 0.00 -0.52 0.00 0.00 37.83 32.97 2wp0 s LYS 149 CO 0.01 -1.43 1.69 1.49 -0.92 0.00 0.00 175.35 176.19 2wp0 h GLU 150 N 11.94 0.47 -0.61 1.68 4.81 -1.94 -3.22 114.58 127.71 2wp0 h GLU 150 Ca -0.40 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2wp0 h GLU 150 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2wp0 h GLU 150 CO 0.97 0.44 0.00 0.72 -0.73 0.00 0.00 179.01 180.41 2wp0 n HIS 151 N -4.75 1.01 -2.06 0.92 8.25 -1.26 -4.91 115.22 112.42 2wp0 n HIS 151 Ca -0.01 -0.40 -0.42 0.00 -0.26 0.00 0.00 57.72 56.62 2wp0 n HIS 151 Cb 0.11 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 2wp0 n HIS 151 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wp0 s ASP 152 N -0.76 6.72 0.46 0.41 -1.08 -1.22 -4.89 116.67 116.30 2wp0 s ASP 152 Ca 0.35 2.44 0.31 0.00 -0.52 0.00 0.00 52.55 55.12 2wp0 s ASP 152 Cb 0.22 -2.59 1.43 0.00 -1.46 0.00 0.00 42.92 40.53 2wp0 s ASP 152 CO 0.17 -0.74 1.94 0.77 0.52 0.00 0.00 175.17 177.82 2wp0 h SER 153 N 7.02 0.00 -0.50 -0.34 4.64 -1.93 -2.01 113.55 120.43 2wp0 h SER 153 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2wp0 h SER 153 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2wp0 h SER 153 CO 0.89 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 177.03 2wp0 n LEU 154 N -2.73 3.43 -0.26 5.97 4.77 -1.26 -4.61 117.00 122.31 2wp0 n LEU 154 Ca 0.00 -2.06 -0.06 0.00 -0.03 0.00 0.00 56.01 53.86 2wp0 n LEU 154 Cb 0.20 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2wp0 n LEU 154 CO 0.21 0.83 0.58 0.25 -1.33 0.00 0.00 177.39 177.93 2wp0 h LEU 155 N 2.93 -1.45 -0.80 2.23 5.85 -1.67 -2.32 115.31 120.08 2wp0 h LEU 155 Ca 0.00 0.26 0.10 0.00 0.84 0.00 0.00 57.88 59.08 2wp0 h LEU 155 Cb 0.89 0.69 -0.07 0.00 0.37 0.00 0.00 40.66 42.53 2wp0 h LEU 155 CO 0.02 -0.31 0.44 0.44 -0.34 0.00 0.00 178.44 178.69 2wp0 h ASP 156 N -0.15 0.61 -0.67 1.25 3.32 -1.83 -0.30 116.42 118.66 2wp0 h ASP 156 Ca 0.23 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2wp0 h ASP 156 Cb 0.56 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2wp0 h ASP 156 CO -0.77 0.34 0.20 1.88 -1.72 0.00 0.00 179.24 179.18 2wp0 h TYR 157 N 0.73 1.09 0.00 4.55 0.05 -1.77 -3.09 116.97 118.53 2wp0 h TYR 157 Ca 0.39 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 59.00 2wp0 h TYR 157 Cb 0.40 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 2wp0 h TYR 157 CO -0.07 0.87 -0.34 0.87 -1.05 0.00 0.00 178.16 178.44 2wp0 h LYS 158 N 1.02 0.00 0.18 4.88 1.57 -0.55 -2.61 116.57 121.06 2wp0 h LYS 158 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2wp0 h LYS 158 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2wp0 h LYS 158 CO -0.01 0.34 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.06 2wp0 h LEU 159 N 0.00 -0.21 -0.25 2.94 3.38 -1.34 -0.61 115.31 119.22 2wp0 h LEU 159 Ca -0.00 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2wp0 h LEU 159 Cb 0.81 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2wp0 h LEU 159 CO 0.04 -0.08 -0.44 -0.07 0.09 0.00 0.00 178.44 177.98 2wp0 h LEU 160 N -0.32 -1.43 -0.48 1.67 3.38 -1.56 0.15 115.31 116.73 2wp0 h LEU 160 Ca -0.02 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2wp0 h LEU 160 Cb 0.25 0.60 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 2wp0 h LEU 160 CO 0.04 -0.41 -0.02 -0.61 0.09 0.00 0.00 178.44 177.53 2wp0 h GLN 161 N -0.43 0.09 -0.48 1.13 4.15 -1.42 0.99 115.11 119.14 2wp0 h GLN 161 Ca 0.10 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 2wp0 h GLN 161 Cb 0.61 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2wp0 h GLN 161 CO -0.48 0.06 0.15 -0.07 -1.93 0.00 0.00 178.83 176.56 2wp0 h LEU 162 N 0.09 0.70 0.29 -2.39 3.38 -0.82 0.41 115.31 116.97 2wp0 h LEU 162 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wp0 h LEU 162 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2wp0 h LEU 162 CO -0.42 0.72 -0.14 0.15 0.09 0.00 0.00 178.44 178.84 2wp0 h PHE 163 N 0.64 -0.36 -0.78 1.13 3.57 0.72 0.54 116.94 122.40 2wp0 h PHE 163 Ca 0.15 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.78 2wp0 h PHE 163 Cb 0.27 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.04 2wp0 h PHE 163 CO 0.01 -0.17 0.35 0.87 -2.23 0.00 0.00 178.31 177.14 2wp0 h LYS 164 N -0.46 0.50 -0.04 1.11 1.57 0.12 0.74 116.57 120.10 2wp0 h LYS 164 Ca -0.04 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2wp0 h LYS 164 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2wp0 h LYS 164 CO 0.06 0.33 -0.03 1.25 -0.57 0.00 0.00 179.45 180.49 2wp0 h LEU 165 N 0.52 -0.11 -0.01 2.94 5.85 0.40 -0.83 115.31 124.08 2wp0 h LEU 165 Ca 0.42 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.19 2wp0 h LEU 165 Cb 0.60 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2wp0 h LEU 165 CO -0.37 -0.05 -0.13 0.15 -0.34 0.00 0.00 178.44 177.70 2wp0 h PHE 166 N -0.04 -0.33 -0.36 1.25 3.57 0.29 -1.03 116.94 120.29 2wp0 h PHE 166 Ca 0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2wp0 h PHE 166 Cb 0.08 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2wp0 h PHE 166 CO -0.13 -0.19 0.08 1.49 -2.23 0.00 0.00 178.31 177.33 2wp0 h GLU 167 N -0.21 0.21 -0.84 1.11 4.81 0.52 -0.72 114.58 119.45 2wp0 h GLU 167 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2wp0 h GLU 167 Cb 0.28 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2wp0 h GLU 167 CO -0.13 0.14 0.54 -0.91 -0.73 0.00 0.00 179.01 177.92 2wp0 h ASN 168 N 0.21 0.98 -0.29 1.04 2.35 -1.09 -2.31 115.58 116.46 2wp0 h ASN 168 Ca 0.17 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2wp0 h ASN 168 Cb 0.19 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2wp0 h ASN 168 CO -0.22 0.73 -0.03 0.00 -1.65 0.00 0.00 177.43 176.26 2wp0 h ALA 169 N 1.30 0.40 -0.63 -0.83 0.00 -0.62 -0.71 119.26 118.17 2wp0 h ALA 169 Ca 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wp0 h ALA 169 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2wp0 h ALA 169 CO -0.06 0.17 0.31 1.25 0.00 0.00 0.00 179.25 180.92 2wp0 h LEU 170 N 0.32 0.81 -0.21 0.00 5.85 -0.94 -2.43 115.31 118.71 2wp0 h LEU 170 Ca 0.08 -0.12 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 2wp0 h LEU 170 Cb 0.48 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2wp0 h LEU 170 CO 0.02 0.71 -0.92 -0.26 -0.34 0.00 0.00 178.44 177.64 2wp0 h PHE 171 N 0.86 0.17 -0.35 1.25 -1.00 -1.37 -0.39 116.94 116.12 2wp0 h PHE 171 Ca 0.22 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 2wp0 h PHE 171 Cb 0.10 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 2wp0 h PHE 171 CO -0.00 0.97 0.20 0.77 -1.61 0.00 0.00 178.31 178.64 2wp0 h SER 172 N 0.05 0.41 0.34 2.17 0.02 -1.04 -0.54 113.55 114.96 2wp0 h SER 172 Ca -0.04 -0.02 -0.32 0.00 -0.84 0.00 0.00 61.79 60.57 2wp0 h SER 172 Cb 1.59 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 2wp0 h SER 172 CO 0.13 0.32 -1.83 0.55 -1.14 0.00 0.00 176.83 174.87 2wp0 n VAL 173 N -4.46 1.69 0.06 2.27 3.14 -0.92 -0.80 118.33 119.31 2wp0 n VAL 173 Ca 0.02 -0.74 0.01 0.00 -2.96 0.00 0.00 64.34 60.67 2wp0 n VAL 173 Cb 0.09 -1.35 0.34 0.00 -1.06 0.00 0.00 33.84 31.85 2wp0 n VAL 173 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2wp0 h LEU 174 N 0.03 0.35 -1.99 6.55 5.85 -0.99 -2.41 115.31 122.70 2wp0 h LEU 174 Ca -0.34 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2wp0 h LEU 174 Cb 2.02 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2wp0 h LEU 174 CO 0.09 0.48 0.00 -1.22 -0.34 0.00 0.00 178.44 177.45 2wp0 n TYR 175 N -4.26 0.66 -2.11 1.25 4.01 -0.22 -4.94 117.16 111.55 2wp0 n TYR 175 Ca 0.00 -0.33 -0.19 0.00 -0.16 0.00 0.00 57.90 57.22 2wp0 n TYR 175 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 2wp0 n TYR 175 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wp0 n ASN 176 N 1.10 -5.50 0.03 7.72 5.15 -0.91 -4.85 115.26 118.00 2wp0 n ASN 176 Ca 0.19 0.14 0.13 0.00 -0.60 0.00 0.00 54.58 54.44 2wp0 n ASN 176 Cb 0.48 -4.59 0.40 0.00 -0.53 0.00 0.00 39.78 35.53 2wp0 n ASN 176 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wp0 n LYS 177 N -2.72 0.09 -3.72 1.20 5.02 0.02 -4.88 118.16 113.16 2wp0 n LYS 177 Ca -0.22 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 55.98 2wp0 n LYS 177 Cb 0.66 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 2wp0 n LYS 177 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wp0 s VAL 178 N -3.04 0.03 -0.35 -0.18 1.01 -0.66 -4.99 120.40 112.22 2wp0 s VAL 178 Ca 0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2wp0 s VAL 178 Cb 0.17 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2wp0 s VAL 178 CO 0.62 -0.15 0.19 -0.89 0.00 0.00 0.00 175.10 174.87 2wp0 s THR 179 N -0.87 4.59 -2.98 3.92 2.01 -1.26 -4.47 115.64 116.58 2wp0 s THR 179 Ca -0.09 -0.71 0.24 0.00 0.31 0.00 0.00 61.69 61.43 2wp0 s THR 179 Cb -0.04 -3.49 0.20 0.00 0.01 0.00 0.00 72.50 69.18 2wp0 s THR 179 CO 0.04 -0.14 1.28 -0.11 -0.69 0.00 0.00 174.62 175.00