#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yww s VAL 9 N 0.00 2.64 0.03 3.15 -7.23 -1.26 -5.10 120.40 112.63 2yww s VAL 9 Ca 0.00 -2.24 -0.30 0.00 -1.81 0.00 0.00 61.98 57.63 2yww s VAL 9 Cb 0.00 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 2yww s VAL 9 CO 0.00 -0.34 1.45 -0.75 -0.31 0.00 0.00 175.10 175.15 2yww s LYS 10 N -3.37 4.27 0.67 4.82 2.47 -1.26 -5.01 119.74 122.33 2yww s LYS 10 Ca 0.28 2.05 -0.07 0.00 -1.56 0.00 0.00 55.97 56.67 2yww s LYS 10 Cb -0.06 -3.54 0.04 0.00 -1.46 0.00 0.00 37.83 32.81 2yww s LYS 10 CO 0.15 -0.59 0.99 -1.59 0.16 0.00 0.00 175.35 174.47 2yww s LYS 11 N 2.29 2.47 0.13 4.03 -2.85 -1.26 -5.04 119.74 119.51 2yww s LYS 11 Ca 0.66 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 55.22 2yww s LYS 11 Cb -0.34 -2.18 -0.06 0.00 -2.06 0.00 0.00 37.83 33.19 2yww s LYS 11 CO 0.28 -1.06 0.96 0.42 0.10 0.00 0.00 175.35 176.05 2yww s ILE 12 N -3.18 4.44 -0.20 3.79 -1.09 -1.26 -4.96 121.20 118.74 2yww s ILE 12 Ca 0.58 2.07 -0.16 0.00 -2.23 0.00 0.00 60.65 60.91 2yww s ILE 12 Cb -0.11 -4.32 -0.12 0.00 -1.58 0.00 0.00 42.46 36.33 2yww s ILE 12 CO 0.45 0.34 -0.07 0.41 -1.23 0.00 0.00 174.94 174.85 2yww n THR 13 N 2.62 1.50 -3.74 2.92 -1.04 -1.26 -4.07 114.28 111.21 2yww n THR 13 Ca 0.02 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2yww n THR 13 Cb 0.49 -2.13 -0.17 0.00 -1.82 0.00 0.00 70.33 66.70 2yww n THR 13 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2yww s ASN 14 N -6.60 0.52 0.00 8.00 -0.87 -1.26 0.53 114.94 115.25 2yww s ASN 14 Ca -0.27 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.07 2yww s ASN 14 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.19 2yww s ASN 14 CO 0.46 -0.18 0.00 0.61 -2.57 0.00 0.00 177.10 175.42 2yww n GLY 15 N 4.63 -0.50 2.91 0.66 0.00 -0.57 0.13 105.19 112.45 2yww n GLY 15 Ca -0.18 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2yww n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yww s THR 16 N -4.00 0.14 -0.28 2.61 2.01 0.38 -0.74 115.64 115.76 2yww s THR 16 Ca 0.00 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2yww s THR 16 Cb 0.00 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.43 2yww s THR 16 CO 0.00 -0.04 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.12 2yww s VAL 17 N -0.26 2.24 -0.51 3.82 1.01 -0.23 -0.03 120.40 126.44 2yww s VAL 17 Ca -0.02 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 2yww s VAL 17 Cb -0.02 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 34.03 2yww s VAL 17 CO -0.00 -0.14 0.71 -0.63 0.00 0.00 0.00 175.10 175.04 2yww s ILE 18 N 1.07 4.74 0.34 2.22 1.01 0.19 -1.05 121.20 129.73 2yww s ILE 18 Ca -0.05 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.45 2yww s ILE 18 Cb -0.20 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2yww s ILE 18 CO -0.05 -0.86 0.36 -0.62 0.00 0.00 0.00 174.94 173.77 2yww s ASP 19 N 2.63 5.50 -1.43 3.58 -1.08 -0.20 -0.72 116.67 124.96 2yww s ASP 19 Ca 0.20 -0.41 -0.05 0.00 -0.52 0.00 0.00 52.55 51.77 2yww s ASP 19 Cb -0.17 -1.03 0.01 0.00 -1.46 0.00 0.00 42.92 40.27 2yww s ASP 19 CO 0.15 -0.41 0.68 1.41 0.52 0.00 0.00 175.17 177.52 2yww n HIS 20 N -1.48 -2.02 -2.65 -5.34 8.25 -1.24 -0.82 115.22 109.91 2yww n HIS 20 Ca -0.01 0.58 -0.38 0.00 -0.26 0.00 0.00 57.72 57.66 2yww n HIS 20 Cb 0.59 -4.41 -0.05 0.00 1.12 0.00 0.00 29.99 27.24 2yww n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2yww s ILE 21 N -3.18 3.91 0.36 1.59 1.01 -0.86 -3.77 121.20 120.26 2yww s ILE 21 Ca 0.34 1.69 -0.28 0.00 0.00 0.00 0.00 60.65 62.39 2yww s ILE 21 Cb -0.15 -3.99 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 2yww s ILE 21 CO 0.42 0.23 1.47 -1.81 0.00 0.00 0.00 174.94 175.26 2yww s ASP 22 N -1.35 6.41 0.16 3.58 1.01 -1.26 -1.34 116.67 123.89 2yww s ASP 22 Ca 0.49 2.98 -0.33 0.00 0.71 0.00 0.00 52.55 56.40 2yww s ASP 22 Cb -0.24 -2.66 -0.16 0.00 1.01 0.00 0.00 42.92 40.87 2yww s ASP 22 CO 0.30 -0.83 1.12 0.00 0.21 0.00 0.00 175.17 175.97 2yww n ALA 23 N 0.78 -1.11 -0.96 5.23 0.00 -1.26 -1.35 120.51 121.84 2yww n ALA 23 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2yww n ALA 23 Cb 0.39 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2yww n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yww n GLY 24 N 1.97 0.84 0.26 0.00 0.00 -1.26 -4.89 105.19 102.11 2yww n GLY 24 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 2yww n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yww n LYS 25 N -2.09 1.53 -0.32 1.61 5.02 -0.46 -4.60 118.16 118.86 2yww n LYS 25 Ca 0.00 -0.57 0.04 0.00 -2.02 0.00 0.00 58.31 55.76 2yww n LYS 25 Cb 0.01 -1.31 0.18 0.00 -0.02 0.00 0.00 35.03 33.88 2yww n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yww h ALA 26 N 2.84 1.27 -0.70 7.82 0.00 -1.90 -1.49 119.26 127.08 2yww h ALA 26 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2yww h ALA 26 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2yww h ALA 26 CO 0.00 0.17 0.25 -0.07 0.00 0.00 0.00 179.25 179.60 2yww h LEU 27 N 0.88 0.98 -0.45 0.00 3.38 -1.98 0.22 115.31 118.34 2yww h LEU 27 Ca 0.42 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 2yww h LEU 27 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2yww h LEU 27 CO -0.24 0.89 0.04 -0.03 0.09 0.00 0.00 178.44 179.19 2yww h MET 28 N 1.03 0.77 -0.37 1.13 4.05 -1.70 -0.36 114.93 119.48 2yww h MET 28 Ca 0.23 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2yww h MET 28 Cb 0.24 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2yww h MET 28 CO -0.01 0.81 0.21 0.28 0.23 0.00 0.00 176.91 178.43 2yww h VAL 29 N 0.63 1.14 -0.76 -5.77 2.07 -0.73 -1.82 116.25 111.00 2yww h VAL 29 Ca 0.13 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2yww h VAL 29 Cb 0.43 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2yww h VAL 29 CO 0.02 0.14 0.47 0.15 0.02 0.00 0.00 177.57 178.36 2yww h PHE 30 N 0.48 0.99 -0.59 1.57 3.57 -0.40 -2.36 116.94 120.20 2yww h PHE 30 Ca 0.13 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2yww h PHE 30 Cb 0.04 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 2yww h PHE 30 CO -0.03 0.65 0.36 -0.22 -2.23 0.00 0.00 178.31 176.84 2yww h LYS 31 N 1.03 0.80 -0.02 1.11 3.64 -0.67 -2.66 116.57 119.80 2yww h LYS 31 Ca 0.27 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2yww h LYS 31 Cb -0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2yww h LYS 31 CO -0.05 0.57 -0.36 -0.39 -2.27 0.00 0.00 179.45 176.95 2yww h VAL 32 N 0.80 1.26 -0.09 2.00 -1.51 -1.04 -2.54 116.25 115.13 2yww h VAL 32 Ca 0.21 -1.25 -0.09 0.00 -1.23 0.00 0.00 66.70 64.34 2yww h VAL 32 Cb -0.02 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 2yww h VAL 32 CO -0.04 0.36 -0.37 -0.07 -1.23 0.00 0.00 177.57 176.22 2yww h LEU 33 N 0.04 0.18 -3.42 4.19 3.38 -1.10 -3.47 115.31 115.11 2yww h LEU 33 Ca 0.00 -0.07 -0.42 0.00 0.09 0.00 0.00 57.88 57.49 2yww h LEU 33 Cb 0.65 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.37 2yww h LEU 33 CO 0.05 0.54 -0.87 -3.20 0.09 0.00 0.00 178.44 175.06 2yww n ASN 34 N -4.07 -5.33 -4.85 -0.43 2.85 -0.96 -4.94 115.26 97.53 2yww n ASN 34 Ca -0.01 -0.90 -0.32 0.00 -0.11 0.00 0.00 54.58 53.24 2yww n ASN 34 Cb 0.44 -2.72 -0.02 0.00 1.24 0.00 0.00 39.78 38.72 2yww n ASN 34 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2yww s VAL 35 N -3.22 4.57 0.49 3.44 -7.23 -1.26 -5.00 120.40 112.19 2yww s VAL 35 Ca 0.22 1.11 -0.21 0.00 -1.81 0.00 0.00 61.98 61.29 2yww s VAL 35 Cb -0.10 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 2yww s VAL 35 CO 0.88 -0.82 0.79 -2.65 -0.31 0.00 0.00 175.10 172.98 2yww n PRO 36 N -1.94 0.89 -0.26 4.82 -0.02 -1.26 -4.86 135.00 132.37 2yww n PRO 36 Ca 0.06 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 2yww n PRO 36 Cb 0.54 -1.87 0.42 0.00 -0.02 0.00 0.00 33.50 32.57 2yww n PRO 36 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2yww h LYS 37 N 0.85 0.58 -0.11 -0.52 1.57 -2.05 -1.85 116.57 115.04 2yww h LYS 37 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2yww h LYS 37 Cb 1.37 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2yww h LYS 37 CO 0.52 0.38 0.00 -1.91 -0.57 0.00 0.00 179.45 177.87 2yww n GLU 38 N -4.56 1.52 -1.80 3.15 2.13 -1.26 -4.92 120.64 114.90 2yww n GLU 38 Ca 0.18 -0.77 -0.42 0.00 0.66 0.00 0.00 57.16 56.81 2yww n GLU 38 Cb 0.54 -1.37 -0.03 0.00 0.27 0.00 0.00 31.44 30.85 2yww n GLU 38 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2yww s THR 39 N -1.86 2.18 -0.02 6.31 2.01 -0.70 -4.96 115.64 118.60 2yww s THR 39 Ca 0.32 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 62.17 2yww s THR 39 Cb 0.16 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2yww s THR 39 CO 0.25 0.01 0.91 -0.55 -0.69 0.00 0.00 174.62 174.56 2yww s SER 40 N 0.91 7.27 0.02 3.53 0.15 -1.26 -5.01 113.70 119.31 2yww s SER 40 Ca 0.69 1.54 -0.02 0.00 0.70 0.00 0.00 55.95 58.86 2yww s SER 40 Cb -0.48 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.29 2yww s SER 40 CO 0.37 -0.22 0.02 -0.69 1.20 0.00 0.00 173.24 173.92 2yww s VAL 41 N 0.96 0.11 -0.11 4.45 1.01 -1.26 -1.80 120.40 123.76 2yww s VAL 41 Ca 0.48 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2yww s VAL 41 Cb -0.20 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2yww s VAL 41 CO 0.25 -0.48 -0.09 -0.32 0.00 0.00 0.00 175.10 174.46 2yww s MET 42 N -1.52 1.63 -0.15 2.72 1.75 0.18 -5.00 119.30 118.90 2yww s MET 42 Ca -0.15 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 2yww s MET 42 Cb -0.09 -1.60 0.01 0.00 2.84 0.00 0.00 34.83 36.00 2yww s MET 42 CO -0.01 -0.20 -0.20 0.42 -0.65 0.00 0.00 175.02 174.38 2yww s ILE 43 N 1.47 2.18 -0.21 10.11 1.01 -1.26 -0.54 121.20 133.96 2yww s ILE 43 Ca 0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 2yww s ILE 43 Cb -0.13 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 2yww s ILE 43 CO -0.06 0.54 0.01 0.00 0.00 0.00 0.00 174.94 175.43 2yww s ALA 44 N 0.95 3.05 -0.12 9.38 0.00 0.10 -4.98 121.76 130.14 2yww s ALA 44 Ca -0.04 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2yww s ALA 44 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2yww s ALA 44 CO -0.04 -0.19 -0.18 0.42 0.00 0.00 0.00 175.76 175.76 2yww s ILE 45 N 1.08 2.58 -1.23 0.00 1.01 -1.26 -0.94 121.20 122.44 2yww s ILE 45 Ca 0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2yww s ILE 45 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2yww s ILE 45 CO 0.02 0.54 0.82 0.59 0.00 0.00 0.00 174.94 176.90 2yww n ASN 46 N 3.55 -2.33 -4.86 3.58 5.03 -0.92 -4.98 115.26 114.33 2yww n ASN 46 Ca -0.19 -0.76 -0.21 0.00 0.87 0.00 0.00 54.58 54.29 2yww n ASN 46 Cb 0.53 -4.45 -0.04 0.00 -1.02 0.00 0.00 39.78 34.81 2yww n ASN 46 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2yww s VAL 47 N -3.54 4.31 0.64 2.41 -7.23 0.37 -4.80 120.40 112.57 2yww s VAL 47 Ca 0.09 -1.32 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 2yww s VAL 47 Cb -0.02 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2yww s VAL 47 CO 0.78 -0.29 0.84 -2.65 -0.31 0.00 0.00 175.10 173.47 2yww n PRO 48 N -1.29 0.67 -3.65 4.82 -0.02 -1.26 -0.92 135.00 133.35 2yww n PRO 48 Ca -0.06 0.27 -0.03 0.00 -2.02 0.00 0.00 63.50 61.66 2yww n PRO 48 Cb 0.58 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 2yww n PRO 48 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2yww s SER 49 N -1.36 -1.03 0.07 2.55 0.15 -0.92 -4.62 113.70 108.54 2yww s SER 49 Ca 0.73 1.51 -0.20 0.00 0.70 0.00 0.00 55.95 58.69 2yww s SER 49 Cb -0.39 2.08 -0.10 0.00 -1.71 0.00 0.00 66.02 65.89 2yww s SER 49 CO 0.50 -0.22 1.54 0.11 1.20 0.00 0.00 173.24 176.36 2yww h LYS 50 N 7.88 0.31 -0.50 5.44 1.57 -1.96 1.15 116.57 130.46 2yww h LYS 50 Ca -0.19 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2yww h LYS 50 Cb 1.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2yww h LYS 50 CO 0.11 0.47 0.23 0.87 -0.57 0.00 0.00 179.45 180.57 2yww h LYS 51 N 0.09 0.73 -0.08 3.15 1.57 -1.99 -3.33 116.57 116.71 2yww h LYS 51 Ca 0.06 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2yww h LYS 51 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2yww h LYS 51 CO 0.00 0.62 0.00 1.63 -0.57 0.00 0.00 179.45 181.13 2yww n LYS 52 N -4.59 1.46 0.00 3.15 5.02 -1.21 -5.01 118.16 116.98 2yww n LYS 52 Ca 0.02 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 2yww n LYS 52 Cb 0.13 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2yww n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yww n GLY 53 N 0.05 1.67 3.04 0.72 0.00 0.40 -4.74 105.19 106.33 2yww n GLY 53 Ca 0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2yww n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yww s LYS 54 N 0.00 0.49 0.28 1.61 1.02 -1.26 -2.16 119.74 119.71 2yww s LYS 54 Ca 0.00 -0.70 -0.20 0.00 0.02 0.00 0.00 55.97 55.09 2yww s LYS 54 Cb 0.00 -0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.11 2yww s LYS 54 CO 0.00 0.04 0.85 -1.59 -0.92 0.00 0.00 175.35 173.73 2yww s LYS 55 N -1.46 1.76 0.23 1.68 -2.85 -0.10 -4.27 119.74 114.74 2yww s LYS 55 Ca -0.10 -1.07 0.11 0.00 -1.00 0.00 0.00 55.97 53.92 2yww s LYS 55 Cb -0.09 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.17 2yww s LYS 55 CO 0.00 -0.82 -0.21 -0.51 0.10 0.00 0.00 175.35 173.92 2yww s ASP 56 N -3.07 3.38 -0.01 0.03 1.11 -0.45 -0.48 116.67 117.19 2yww s ASP 56 Ca 0.15 -0.95 0.00 0.00 0.18 0.00 0.00 52.55 51.93 2yww s ASP 56 Cb -0.04 -0.26 0.01 0.00 1.07 0.00 0.00 42.92 43.70 2yww s ASP 56 CO 0.07 0.05 -0.00 -0.63 1.18 0.00 0.00 175.17 175.84 2yww s ILE 57 N -2.18 0.08 -0.17 0.77 1.01 -0.11 -2.03 121.20 118.56 2yww s ILE 57 Ca 0.25 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.90 2yww s ILE 57 Cb -0.06 -0.10 0.03 0.00 0.01 0.00 0.00 42.46 42.34 2yww s ILE 57 CO 0.12 0.04 -0.13 -0.22 0.00 0.00 0.00 174.94 174.75 2yww s LEU 58 N 0.21 2.00 -0.19 2.97 2.96 0.10 -0.72 118.68 126.00 2yww s LEU 58 Ca -0.02 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.20 2yww s LEU 58 Cb -0.03 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.44 2yww s LEU 58 CO -0.01 -0.10 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.26 2yww s LYS 59 N 1.43 3.20 -0.14 1.98 1.02 0.30 0.55 119.74 128.08 2yww s LYS 59 Ca 0.02 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.30 2yww s LYS 59 Cb -0.14 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2yww s LYS 59 CO -0.10 -0.13 -0.20 0.42 -0.92 0.00 0.00 175.35 174.43 2yww s ILE 60 N 1.19 1.95 0.06 2.17 1.01 0.95 -0.65 121.20 127.87 2yww s ILE 60 Ca 0.02 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.55 2yww s ILE 60 Cb -0.14 -1.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 2yww s ILE 60 CO -0.05 0.53 0.64 -0.70 0.00 0.00 0.00 174.94 175.35 2yww s GLU 61 N 0.97 4.35 0.00 2.79 2.56 -0.74 -0.47 118.70 128.14 2yww s GLU 61 Ca -0.04 0.85 0.00 0.00 0.00 0.00 0.00 54.97 55.78 2yww s GLU 61 Cb -0.15 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.69 2yww s GLU 61 CO -0.04 0.48 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 2yww n GLY 62 N 2.05 0.60 2.83 -1.50 0.00 0.35 -4.46 105.19 105.07 2yww n GLY 62 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2yww n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yww s ILE 63 N -2.48 0.29 -0.40 -0.61 1.01 -1.26 -4.92 121.20 112.83 2yww s ILE 63 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2yww s ILE 63 Cb 0.00 -0.38 0.08 0.00 0.01 0.00 0.00 42.46 42.17 2yww s ILE 63 CO 0.00 0.18 0.21 -1.61 0.00 0.00 0.00 174.94 173.72 2yww s GLU 64 N 1.15 2.43 0.29 2.79 2.02 -1.26 -2.60 118.70 123.52 2yww s GLU 64 Ca -0.08 -1.53 -0.28 0.00 0.02 0.00 0.00 54.97 53.11 2yww s GLU 64 Cb -0.14 -3.65 -0.14 0.00 0.10 0.00 0.00 34.13 30.31 2yww s GLU 64 CO -0.02 -0.94 0.91 1.28 0.02 0.00 0.00 175.26 176.51 2yww n LEU 65 N 4.79 1.27 -4.86 1.80 4.32 -1.26 -4.97 117.00 118.08 2yww n LEU 65 Ca -0.08 1.15 -0.31 0.00 -0.02 0.00 0.00 56.01 56.74 2yww n LEU 65 Cb 0.43 -1.23 -0.04 0.00 -1.62 0.00 0.00 43.42 40.95 2yww n LEU 65 CO 0.36 -1.73 0.44 -1.59 -1.22 0.00 0.00 177.39 173.65 2yww s LYS 66 N -1.49 3.87 0.30 3.23 -2.85 -1.26 -4.87 119.74 116.67 2yww s LYS 66 Ca 0.60 0.56 0.02 0.00 -1.00 0.00 0.00 55.97 56.15 2yww s LYS 66 Cb -0.72 -2.40 0.73 0.00 -2.06 0.00 0.00 37.83 33.38 2yww s LYS 66 CO 0.59 0.04 1.60 -0.22 0.10 0.00 0.00 175.35 177.46 2yww h LYS 67 N 1.65 0.07 -0.39 1.78 1.63 -1.99 0.36 116.57 119.68 2yww h LYS 67 Ca -0.47 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.40 2yww h LYS 67 Cb 1.18 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.73 2yww h LYS 67 CO 0.64 0.05 -0.02 0.93 -3.45 0.00 0.00 179.45 177.60 2yww h GLU 68 N 0.07 0.08 -0.34 1.90 3.07 -2.00 -1.31 114.58 116.06 2yww h GLU 68 Ca 0.58 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.40 2yww h GLU 68 Cb 1.19 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2yww h GLU 68 CO -0.81 0.05 0.10 -0.44 -1.40 0.00 0.00 179.01 176.51 2yww h ASP 69 N 0.08 0.50 -0.45 1.42 3.32 -1.34 -2.37 116.42 117.59 2yww h ASP 69 Ca 0.19 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 57.12 2yww h ASP 69 Cb 0.28 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.61 2yww h ASP 69 CO -0.34 0.58 -0.17 0.58 -1.72 0.00 0.00 179.24 178.17 2yww h VAL 70 N 0.39 0.45 0.00 -1.35 2.07 -0.56 -0.53 116.25 116.72 2yww h VAL 70 Ca 0.11 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 2yww h VAL 70 Cb 0.26 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2yww h VAL 70 CO -0.00 0.00 -0.36 0.44 0.02 0.00 0.00 177.57 177.66 2yww h ASP 71 N -0.07 0.00 -0.13 0.57 3.32 -1.20 -2.90 116.42 116.01 2yww h ASP 71 Ca 0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2yww h ASP 71 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2yww h ASP 71 CO -0.50 0.36 -0.02 0.11 -1.72 0.00 0.00 179.24 177.48 2yww h LYS 72 N 0.00 0.23 -0.68 3.56 1.57 -0.61 -3.14 116.57 117.51 2yww h LYS 72 Ca -0.00 -0.08 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2yww h LYS 72 Cb 0.70 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.90 2yww h LYS 72 CO 0.05 0.51 0.18 0.82 -0.57 0.00 0.00 179.45 180.43 2yww h ILE 73 N -0.06 0.60 -0.97 1.86 2.04 -0.97 -1.90 117.51 118.12 2yww h ILE 73 Ca 0.03 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 65.96 2yww h ILE 73 Cb 0.41 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 2yww h ILE 73 CO 0.01 0.06 0.61 0.77 0.00 0.00 0.00 178.15 179.59 2yww h SER 74 N 0.30 0.72 -0.57 1.72 4.64 -1.47 0.24 113.55 119.13 2yww h SER 74 Ca 0.37 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 2yww h SER 74 Cb 0.58 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2yww h SER 74 CO -0.44 0.31 0.30 -0.07 -0.87 0.00 0.00 176.83 176.06 2yww h LEU 75 N 0.73 0.75 0.02 5.97 3.38 -1.40 0.45 115.31 125.22 2yww h LEU 75 Ca 0.52 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 58.26 2yww h LEU 75 Cb 0.84 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2yww h LEU 75 CO -0.29 0.63 -0.67 0.40 0.09 0.00 0.00 178.44 178.61 2yww h ILE 76 N 0.84 1.43 -2.32 1.22 2.04 -0.77 -3.43 117.51 116.53 2yww h ILE 76 Ca 0.21 -2.17 -0.47 0.00 1.00 0.00 0.00 64.86 63.43 2yww h ILE 76 Cb 0.07 2.69 -0.36 0.00 -0.74 0.00 0.00 36.82 38.48 2yww h ILE 76 CO -0.03 0.63 -0.76 -0.55 0.00 0.00 0.00 178.15 177.43 2yww s SER 77 N -6.82 2.21 0.52 1.72 0.15 0.56 -4.90 113.70 107.14 2yww s SER 77 Ca -0.13 -1.76 0.29 0.00 0.70 0.00 0.00 55.95 55.05 2yww s SER 77 Cb 0.03 0.05 1.41 0.00 -1.71 0.00 0.00 66.02 65.81 2yww s SER 77 CO 0.83 -0.31 1.89 -0.65 1.20 0.00 0.00 173.24 176.20 2yww h PRO 78 N 7.25 0.07 -0.69 5.44 0.11 -1.14 -2.98 132.00 140.05 2yww h PRO 78 Ca 0.02 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.01 2yww h PRO 78 Cb 1.01 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.04 2yww h PRO 78 CO 0.26 0.04 0.14 -0.25 -0.21 0.00 0.00 178.00 177.98 2yww n ASP 79 N -4.32 5.11 -4.77 -2.05 8.00 -1.26 -4.83 116.55 112.43 2yww n ASP 79 Ca 0.18 -3.03 -0.34 0.00 0.71 0.00 0.00 54.79 52.31 2yww n ASP 79 Cb 0.90 -0.71 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 2yww n ASP 79 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2yww s VAL 80 N -2.78 3.10 -0.18 2.53 -7.23 -1.12 -4.76 120.40 109.96 2yww s VAL 80 Ca 0.52 0.58 0.01 0.00 -1.81 0.00 0.00 61.98 61.28 2yww s VAL 80 Cb 0.41 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 34.24 2yww s VAL 80 CO 0.14 -0.26 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.59 2yww s THR 81 N -2.09 2.03 -0.39 5.32 2.01 -0.00 -4.42 115.64 118.09 2yww s THR 81 Ca 0.70 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 2yww s THR 81 Cb -0.23 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.44 2yww s THR 81 CO 0.37 0.51 0.59 -0.63 -0.69 0.00 0.00 174.62 174.77 2yww s ILE 82 N 1.30 4.91 -0.27 1.82 -1.09 -0.07 -1.03 121.20 126.76 2yww s ILE 82 Ca 0.04 0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.64 2yww s ILE 82 Cb -0.13 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 2yww s ILE 82 CO -0.12 -0.41 0.12 0.20 -1.23 0.00 0.00 174.94 173.50 2yww s ASN 83 N 1.87 5.48 -0.19 3.58 0.01 -0.22 0.29 114.94 125.77 2yww s ASN 83 Ca 0.21 -0.22 -0.22 0.00 -0.71 0.00 0.00 52.86 51.93 2yww s ASN 83 Cb -0.15 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 2yww s ASN 83 CO 0.16 -0.07 0.67 -0.63 -1.51 0.00 0.00 177.10 175.71 2yww s ILE 84 N 1.66 5.00 -0.13 0.60 -1.09 -0.27 -1.06 121.20 125.90 2yww s ILE 84 Ca 0.06 1.27 -0.02 0.00 -2.23 0.00 0.00 60.65 59.73 2yww s ILE 84 Cb -0.16 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2yww s ILE 84 CO 0.06 0.10 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.20 2yww s ILE 85 N 1.93 3.83 -0.07 2.92 -1.09 0.09 -0.83 121.20 127.97 2yww s ILE 85 Ca 0.31 -0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 2yww s ILE 85 Cb -0.16 -2.64 0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2yww s ILE 85 CO 0.11 0.53 0.17 -0.13 -1.23 0.00 0.00 174.94 174.39 2yww s ARG 86 N -0.03 0.13 -1.53 2.79 0.52 -0.18 -1.51 118.95 119.14 2yww s ARG 86 Ca 0.01 0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 55.57 2yww s ARG 86 Cb -0.13 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.21 2yww s ARG 86 CO 0.03 -0.15 0.49 0.09 0.02 0.00 0.00 175.30 175.78 2yww n ASN 87 N 4.10 -5.69 0.00 0.23 5.03 -0.46 -0.87 115.26 117.61 2yww n ASN 87 Ca -0.25 -0.25 0.00 0.00 0.87 0.00 0.00 54.58 54.95 2yww n ASN 87 Cb 0.53 -4.63 0.00 0.00 -1.02 0.00 0.00 39.78 34.66 2yww n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yww n GLY 88 N -1.39 0.57 3.33 7.41 0.00 0.19 -5.01 105.19 110.29 2yww n GLY 88 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2yww n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yww s LYS 89 N -0.39 1.79 -0.39 1.61 1.02 -0.05 -4.94 119.74 118.40 2yww s LYS 89 Ca 0.00 -1.08 -0.28 0.00 0.02 0.00 0.00 55.97 54.63 2yww s LYS 89 Cb 0.00 -1.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2yww s LYS 89 CO 0.00 0.51 1.60 0.08 -0.92 0.00 0.00 175.35 176.62 2yww s VAL 90 N -0.78 3.68 -0.98 3.17 1.01 -1.26 -1.01 120.40 124.23 2yww s VAL 90 Ca 0.11 0.68 0.21 0.00 0.00 0.00 0.00 61.98 62.99 2yww s VAL 90 Cb -0.10 -3.95 -0.21 0.00 0.00 0.00 0.00 36.38 32.12 2yww s VAL 90 CO 0.02 -0.63 0.94 1.33 0.00 0.00 0.00 175.10 176.76 2yww n VAL 91 N 7.23 0.00 -3.63 2.92 0.24 -0.01 -4.96 118.33 120.12 2yww n VAL 91 Ca 0.19 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.36 2yww n VAL 91 Cb 0.48 0.90 -0.07 0.00 -1.47 0.00 0.00 33.84 33.68 2yww n VAL 91 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2yww s GLU 92 N -3.01 0.72 -0.27 7.34 2.12 -1.23 -5.01 118.70 119.36 2yww s GLU 92 Ca 0.08 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.29 2yww s GLU 92 Cb 0.16 0.34 0.05 0.00 0.26 0.00 0.00 34.13 34.94 2yww s GLU 92 CO 0.85 -0.09 -0.08 0.21 -0.54 0.00 0.00 175.26 175.62 2yww s LYS 93 N 0.38 2.41 0.06 4.30 2.20 -1.26 -1.12 119.74 126.71 2yww s LYS 93 Ca 0.01 -1.25 0.01 0.00 -0.36 0.00 0.00 55.97 54.37 2yww s LYS 93 Cb -0.05 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2yww s LYS 93 CO -0.02 -0.54 0.17 -0.51 -0.36 0.00 0.00 175.35 174.09 2yww s LEU 94 N 1.18 4.22 -0.05 5.43 1.43 0.15 -4.93 118.68 126.11 2yww s LEU 94 Ca -0.06 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 2yww s LEU 94 Cb -0.19 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 2yww s LEU 94 CO -0.04 0.18 -0.24 -0.54 0.23 0.00 0.00 176.35 175.93 2yww s LYS 95 N -2.44 2.39 0.65 1.70 -0.14 -1.26 -0.89 119.74 119.75 2yww s LYS 95 Ca 0.33 -0.88 -0.16 0.00 -1.36 0.00 0.00 55.97 53.90 2yww s LYS 95 Cb -0.13 -2.08 -0.00 0.00 -1.68 0.00 0.00 37.83 33.94 2yww s LYS 95 CO 0.26 0.40 1.15 -1.25 -0.76 0.00 0.00 175.35 175.15 2yww s PRO 96 N -0.23 2.73 -0.27 -1.68 0.04 -1.26 -5.02 135.00 129.31 2yww s PRO 96 Ca -0.01 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 2yww s PRO 96 Cb -0.13 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 2yww s PRO 96 CO 0.03 -1.33 0.06 -0.65 0.04 0.00 0.00 177.00 175.14 2yww s GLN 97 N -3.85 3.29 -0.24 4.56 -0.21 -1.26 -5.07 119.66 116.87 2yww s GLN 97 Ca 0.71 -0.72 -0.24 0.00 0.02 0.00 0.00 55.36 55.13 2yww s GLN 97 Cb -0.24 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 2yww s GLN 97 CO 0.39 -0.33 0.80 0.42 -2.12 0.00 0.00 175.29 174.45 2yww s ILE 98 N 1.52 4.86 1.08 1.08 1.01 -1.26 -4.74 121.20 124.75 2yww s ILE 98 Ca 0.04 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 62.08 2yww s ILE 98 Cb -0.16 -4.09 0.24 0.00 0.01 0.00 0.00 42.46 38.45 2yww s ILE 98 CO 0.02 -0.06 1.06 -2.84 0.00 0.00 0.00 174.94 173.12 2yww s PRO 99 N 2.80 -0.28 -0.15 2.79 0.02 -1.26 -4.98 135.00 133.93 2yww s PRO 99 Ca 0.34 0.72 0.18 0.00 0.02 0.00 0.00 61.00 62.26 2yww s PRO 99 Cb -0.15 -1.64 -0.26 0.00 0.02 0.00 0.00 34.50 32.47 2yww s PRO 99 CO 0.07 -3.26 0.20 -0.25 -0.33 0.00 0.00 177.00 173.43 2yww n ASP 100 N -4.58 0.11 -4.26 2.53 10.43 -1.26 -4.73 116.55 114.78 2yww n ASP 100 Ca 0.04 0.05 -0.15 0.00 2.57 0.00 0.00 54.79 57.31 2yww n ASP 100 Cb 0.55 1.01 -0.10 0.00 1.84 0.00 0.00 41.12 44.42 2yww n ASP 100 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2yww s GLU 101 N -2.65 1.08 -0.08 -1.24 0.41 -1.26 -0.12 118.70 114.84 2yww s GLU 101 Ca -0.09 -1.47 -0.04 0.00 -0.41 0.00 0.00 54.97 52.97 2yww s GLU 101 Cb 0.07 -0.66 0.04 0.00 -1.78 0.00 0.00 34.13 31.80 2yww s GLU 101 CO 0.84 0.08 0.18 0.42 -0.49 0.00 0.00 175.26 176.29 2yww s ILE 102 N -3.30 -0.04 -0.24 -1.63 1.01 -0.63 -4.94 121.20 111.42 2yww s ILE 102 Ca 0.17 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.89 2yww s ILE 102 Cb 0.02 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2yww s ILE 102 CO 0.01 0.06 0.13 -1.61 0.00 0.00 0.00 174.94 173.54 2yww s GLU 103 N 1.11 3.96 3.00 2.79 0.41 -1.26 -1.11 118.70 127.60 2yww s GLU 103 Ca -0.08 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 2yww s GLU 103 Cb -0.10 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 2yww s GLU 103 CO -0.06 0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 2yww n GLY 104 N 4.39 2.96 5.00 -1.39 0.00 0.16 -4.68 105.19 111.63 2yww n GLY 104 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2yww n GLY 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yww n THR 105 N 0.00 0.00 -3.62 2.61 -1.04 -1.26 -4.74 114.28 106.23 2yww n THR 105 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 2yww n THR 105 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2yww n THR 105 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2yww s LEU 106 N 0.00 4.20 -0.21 -4.42 1.43 -1.26 -4.26 118.68 114.15 2yww s LEU 106 Ca 0.00 0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 2yww s LEU 106 Cb 0.00 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 2yww s LEU 106 CO 0.00 -0.06 0.12 -0.75 0.23 0.00 0.00 176.35 175.89 2yww s LYS 107 N -3.31 4.09 0.25 1.70 2.20 0.22 -4.81 119.74 120.09 2yww s LYS 107 Ca 0.40 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 2yww s LYS 107 Cb -0.11 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 2yww s LYS 107 CO 0.29 0.20 1.51 0.00 -0.36 0.00 0.00 175.35 176.99 2yww n THR 109 N 2.58 0.53 -3.62 0.00 -2.24 -1.26 -4.66 114.28 105.62 2yww n THR 109 Ca 0.09 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 2yww n THR 109 Cb 0.39 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 2yww n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2yww s ASN 110 N -0.43 5.58 0.55 3.42 2.47 -1.26 -4.88 114.94 120.39 2yww s ASN 110 Ca 0.13 -1.87 0.33 0.00 0.42 0.00 0.00 52.86 51.86 2yww s ASN 110 Cb 0.09 -1.96 1.49 0.00 -1.45 0.00 0.00 41.25 39.41 2yww s ASN 110 CO 0.05 -0.63 1.83 -0.65 -3.72 0.00 0.00 177.10 173.98 2yww h PRO 111 N 8.35 0.00 -0.01 0.43 0.11 -1.97 0.15 132.00 139.05 2yww h PRO 111 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2yww h PRO 111 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2yww h PRO 111 CO 0.80 0.00 -0.06 -1.71 -0.21 0.00 0.00 178.00 176.82 2yww n ASN 112 N -4.08 1.07 -4.77 -2.05 5.15 -1.26 -4.71 115.26 104.61 2yww n ASN 112 Ca 0.20 -1.19 -0.37 0.00 -0.60 0.00 0.00 54.58 52.62 2yww n ASN 112 Cb 1.04 0.02 0.01 0.00 -0.53 0.00 0.00 39.78 40.31 2yww n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yww h ILE 114 N 1.53 0.98 0.00 0.00 6.09 -1.91 -0.61 117.51 123.59 2yww h ILE 114 Ca -0.50 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 2yww h ILE 114 Cb 1.26 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.19 2yww h ILE 114 CO 0.58 0.06 0.00 0.35 -3.07 0.00 0.00 178.15 176.07 2yww n THR 115 N -4.48 0.96 -0.30 2.19 -2.24 -1.26 -0.77 114.28 108.38 2yww n THR 115 Ca 0.04 0.46 0.06 0.00 -2.27 0.00 0.00 64.05 62.35 2yww n THR 115 Cb 0.21 -1.42 0.18 0.00 -2.10 0.00 0.00 70.33 67.21 2yww n THR 115 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2yww n ASN 116 N -2.21 3.16 0.00 3.42 3.02 -0.24 -4.51 115.26 117.90 2yww n ASN 116 Ca 0.01 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 2yww n ASN 116 Cb 0.14 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2yww n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2yww n LYS 117 N 0.48 2.73 -4.29 3.52 5.02 -0.57 -4.95 118.16 120.09 2yww n LYS 117 Ca 0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 2yww n LYS 117 Cb 0.51 -0.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.67 2yww n LYS 117 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2yww s GLU 118 N -1.13 1.27 -1.16 1.97 0.41 0.05 -5.07 118.70 115.03 2yww s GLU 118 Ca 0.00 -1.65 -0.17 0.00 -0.41 0.00 0.00 54.97 52.74 2yww s GLU 118 Cb 0.00 -0.35 0.12 0.00 -1.78 0.00 0.00 34.13 32.12 2yww s GLU 118 CO 0.00 -0.18 1.47 0.15 -0.49 0.00 0.00 175.26 176.21 2yww s LYS 119 N -3.94 3.90 -0.08 1.61 1.02 -1.26 -4.47 119.74 116.52 2yww s LYS 119 Ca 0.30 -2.05 0.04 0.00 0.02 0.00 0.00 55.97 54.28 2yww s LYS 119 Cb 0.07 -5.22 -0.01 0.00 -0.52 0.00 0.00 37.83 32.14 2yww s LYS 119 CO 0.08 -1.98 -0.20 0.08 -0.92 0.00 0.00 175.35 172.42 2yww s VAL 120 N 3.06 2.50 -0.06 3.17 1.01 -1.26 -5.09 120.40 123.73 2yww s VAL 120 Ca 0.45 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2yww s VAL 120 Cb -0.01 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2yww s VAL 120 CO -0.01 0.56 1.58 -0.60 0.00 0.00 0.00 175.10 176.63 2yww s ARG 121 N -0.13 4.20 0.83 2.72 3.52 -1.26 -4.76 118.95 124.06 2yww s ARG 121 Ca -0.03 2.10 -0.13 0.00 -0.13 0.00 0.00 55.73 57.54 2yww s ARG 121 Cb -0.14 -3.90 0.07 0.00 -1.56 0.00 0.00 34.95 29.42 2yww s ARG 121 CO 0.04 -0.80 1.05 0.41 -0.81 0.00 0.00 175.30 175.19 2yww n GLY 122 N 4.01 -0.40 3.52 8.12 0.00 -1.26 -4.76 105.19 114.42 2yww n GLY 122 Ca 0.16 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 2yww n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yww s LYS 123 N -4.00 0.53 0.13 1.61 2.20 -1.26 0.39 119.74 119.34 2yww s LYS 123 Ca 0.70 1.25 0.06 0.00 -0.36 0.00 0.00 55.97 57.62 2yww s LYS 123 Cb -0.28 0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 2yww s LYS 123 CO 0.54 -0.20 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.13 2yww s PHE 124 N 2.44 1.42 -0.07 4.03 0.08 -0.27 -1.01 117.98 124.60 2yww s PHE 124 Ca -0.06 -0.57 0.05 0.00 0.12 0.00 0.00 56.93 56.46 2yww s PHE 124 Cb -0.10 -0.73 -0.00 0.00 -0.57 0.00 0.00 43.02 41.61 2yww s PHE 124 CO -0.17 0.16 -0.23 0.21 -0.10 0.00 0.00 175.22 175.09 2yww s LYS 125 N -2.84 2.62 -0.59 0.44 2.20 0.28 -1.61 119.74 120.24 2yww s LYS 125 Ca 0.11 -0.82 -0.23 0.00 -0.36 0.00 0.00 55.97 54.66 2yww s LYS 125 Cb -0.04 -2.10 0.06 0.00 -1.51 0.00 0.00 37.83 34.24 2yww s LYS 125 CO 0.03 0.25 0.91 0.42 -0.36 0.00 0.00 175.35 176.60 2yww s ILE 126 N 0.14 4.42 -0.83 5.43 -1.09 0.83 -0.53 121.20 129.57 2yww s ILE 126 Ca -0.11 -0.09 0.25 0.00 -2.23 0.00 0.00 60.65 58.47 2yww s ILE 126 Cb -0.15 -4.57 0.05 0.00 -1.58 0.00 0.00 42.46 36.21 2yww s ILE 126 CO 0.06 -1.22 1.43 -0.62 -1.23 0.00 0.00 174.94 173.36 2yww n GLU 127 N 7.40 0.14 -3.64 2.79 1.02 -0.06 -4.87 120.64 123.42 2yww n GLU 127 Ca -0.02 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 2yww n GLU 127 Cb 0.46 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 2yww n GLU 127 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yww s SER 128 N -3.60 -0.73 -0.05 1.62 0.15 -1.18 -4.95 113.70 104.96 2yww s SER 128 Ca 0.09 1.27 0.19 0.00 0.70 0.00 0.00 55.95 58.20 2yww s SER 128 Cb 0.16 1.30 -0.29 0.00 -1.71 0.00 0.00 66.02 65.48 2yww s SER 128 CO 0.69 -0.21 0.37 0.29 1.20 0.00 0.00 173.24 175.58 2yww n LYS 129 N 3.34 0.65 -3.48 5.44 5.02 -1.26 0.10 118.16 127.98 2yww n LYS 129 Ca -0.17 -0.15 -0.28 0.00 -2.02 0.00 0.00 58.31 55.69 2yww n LYS 129 Cb 0.57 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 34.00 2yww n LYS 129 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2yww s ASN 130 N -4.36 3.00 0.71 4.39 3.04 -1.26 -2.66 114.94 117.80 2yww s ASN 130 Ca -0.07 -1.84 -0.11 0.00 0.04 0.00 0.00 52.86 50.87 2yww s ASN 130 Cb 0.11 -0.30 0.02 0.00 -1.54 0.00 0.00 41.25 39.54 2yww s ASN 130 CO 0.79 -0.35 1.07 -2.16 -3.04 0.00 0.00 177.10 173.42 2yww s PRO 131 N 1.44 2.79 -0.22 0.43 0.04 -1.26 -5.08 135.00 133.14 2yww s PRO 131 Ca 0.15 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 2yww s PRO 131 Cb -0.20 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2yww s PRO 131 CO -0.11 -1.14 1.46 -1.17 0.04 0.00 0.00 177.00 176.08 2yww s LEU 132 N -5.50 3.98 -0.19 -3.56 2.96 -1.09 -4.52 118.68 110.76 2yww s LEU 132 Ca 0.58 1.57 -0.00 0.00 -0.22 0.00 0.00 54.13 56.06 2yww s LEU 132 Cb -0.13 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.07 2yww s LEU 132 CO 0.54 -1.08 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.89 2yww s LYS 133 N 4.25 1.50 -0.25 1.98 -0.14 0.28 -4.95 119.74 122.41 2yww s LYS 133 Ca 0.64 -0.66 -0.03 0.00 -1.36 0.00 0.00 55.97 54.57 2yww s LYS 133 Cb -0.23 -2.20 0.02 0.00 -1.68 0.00 0.00 37.83 33.74 2yww s LYS 133 CO 0.25 -0.48 -0.03 0.42 -0.76 0.00 0.00 175.35 174.74 2yww s ILE 134 N 1.56 3.12 -0.19 2.17 1.01 -1.26 -0.88 121.20 126.74 2yww s ILE 134 Ca -0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 2yww s ILE 134 Cb -0.16 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 2yww s ILE 134 CO -0.07 0.20 0.15 -0.60 0.00 0.00 0.00 174.94 174.61 2yww s ARG 135 N 1.37 4.13 0.10 2.79 3.52 0.31 -0.98 118.95 130.19 2yww s ARG 135 Ca 0.01 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 2yww s ARG 135 Cb -0.16 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 2yww s ARG 135 CO -0.03 0.34 1.12 0.00 -0.81 0.00 0.00 175.30 175.92 2yww h TYR 137 N 6.06 0.00 0.06 0.00 0.05 -1.43 -0.63 116.97 121.09 2yww h TYR 137 Ca -0.43 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.35 2yww h TYR 137 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2yww h TYR 137 CO 0.65 0.38 -0.03 1.88 -1.05 0.00 0.00 178.16 180.00 2yww h TYR 138 N 0.00 -0.08 -0.01 4.88 -1.99 -1.92 -3.38 116.97 114.47 2yww h TYR 138 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2yww h TYR 138 Cb 0.73 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.49 2yww h TYR 138 CO 0.00 0.35 -0.48 0.00 -0.00 0.00 0.00 178.16 178.02 2yww n GLU 140 N -0.41 -0.35 -3.19 0.00 1.02 -0.24 -4.99 120.64 112.48 2yww n GLU 140 Ca 0.09 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.98 2yww n GLU 140 Cb 0.42 -3.77 -0.06 0.00 -0.02 0.00 0.00 31.44 28.01 2yww n GLU 140 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yww s LYS 141 N -0.73 4.04 0.10 3.49 -0.14 -1.26 -4.67 119.74 120.57 2yww s LYS 141 Ca 0.00 0.65 -0.26 0.00 -1.36 0.00 0.00 55.97 55.00 2yww s LYS 141 Cb 0.00 -2.64 -0.07 0.00 -1.68 0.00 0.00 37.83 33.45 2yww s LYS 141 CO 0.00 0.28 0.79 -0.06 -0.76 0.00 0.00 175.35 175.60 2yww s PHE 142 N -1.78 3.82 0.51 3.18 0.08 -1.26 -1.64 117.98 120.89 2yww s PHE 142 Ca 0.48 1.57 -0.23 0.00 0.12 0.00 0.00 56.93 58.88 2yww s PHE 142 Cb -0.13 -2.82 -0.07 0.00 -0.57 0.00 0.00 43.02 39.44 2yww s PHE 142 CO 0.19 0.38 1.32 1.28 -0.10 0.00 0.00 175.22 178.28 2yww n LEU 143 N 2.27 4.94 -0.78 -0.37 4.77 -0.16 -4.88 117.00 122.80 2yww n LEU 143 Ca -0.03 1.02 0.08 0.00 -0.03 0.00 0.00 56.01 57.05 2yww n LEU 143 Cb 0.49 -1.55 0.13 0.00 -2.33 0.00 0.00 43.42 40.17 2yww n LEU 143 CO 0.47 -0.64 0.58 -0.46 -1.33 0.00 0.00 177.39 176.01 2yww n ASN 144 N -0.56 2.78 -3.63 -1.43 0.23 -1.26 -4.81 115.26 106.57 2yww n ASN 144 Ca 0.09 -1.81 -0.04 0.00 -0.53 0.00 0.00 54.58 52.28 2yww n ASN 144 Cb 0.43 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 37.94 2yww n ASN 144 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2yww s GLU 145 N -1.23 0.20 -0.47 -3.83 2.12 -1.26 -5.12 118.70 109.11 2yww s GLU 145 Ca 0.25 0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.47 2yww s GLU 145 Cb 0.15 0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.67 2yww s GLU 145 CO 0.22 -0.05 0.79 0.08 -0.54 0.00 0.00 175.26 175.76 2yww s VAL 146 N -0.55 4.63 -0.12 3.70 1.01 -1.26 -4.80 120.40 123.01 2yww s VAL 146 Ca 0.06 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2yww s VAL 146 Cb -0.03 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2yww s VAL 146 CO -0.09 -0.77 -0.15 -0.63 0.00 0.00 0.00 175.10 173.46 2yww s ILE 147 N 3.32 1.56 -2.47 2.22 1.01 -1.26 -4.97 121.20 120.61 2yww s ILE 147 Ca 0.29 -0.66 0.28 0.00 0.00 0.00 0.00 60.65 60.56 2yww s ILE 147 Cb -0.13 -1.43 0.57 0.00 0.01 0.00 0.00 42.46 41.49 2yww s ILE 147 CO 0.22 0.45 1.78 0.49 0.00 0.00 0.00 174.94 177.88