#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 0.19 -0.08 -0.18 -7.23 -1.26 -5.11 120.40 106.73 2yww s VAL 9 Ca 0.00 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 2yww s VAL 9 Cb 0.00 -1.35 -0.07 0.00 0.56 0.00 0.00 36.38 35.52 2yww s VAL 9 CO 0.00 -0.85 2.00 -0.54 -0.31 0.00 0.00 175.10 175.41 2yww s LYS 10 N -3.66 3.76 0.12 4.82 3.01 -1.26 -4.96 119.74 121.58 2yww s LYS 10 Ca 0.04 2.30 -0.29 0.00 -1.01 0.00 0.00 55.97 57.00 2yww s LYS 10 Cb 0.05 -4.21 -0.06 0.00 -1.01 0.00 0.00 37.83 32.60 2yww s LYS 10 CO -0.09 -1.38 0.94 0.21 0.51 0.00 0.00 175.35 175.54 2yww s LYS 11 N 5.11 4.69 0.34 1.68 2.20 -1.26 -5.00 119.74 127.50 2yww s LYS 11 Ca 0.90 1.41 -0.29 0.00 -0.36 0.00 0.00 55.97 57.63 2yww s LYS 11 Cb -0.37 -3.37 -0.11 0.00 -1.51 0.00 0.00 37.83 32.47 2yww s LYS 11 CO 0.38 0.25 1.54 0.42 -0.36 0.00 0.00 175.35 177.57 2yww s ILE 12 N -0.12 2.04 -0.24 5.43 1.01 -1.26 -4.94 121.20 123.12 2yww s ILE 12 Ca 0.45 0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.96 2yww s ILE 12 Cb -0.23 -3.02 -0.14 0.00 0.01 0.00 0.00 42.46 39.07 2yww s ILE 12 CO 0.29 0.01 -0.10 0.41 0.00 0.00 0.00 174.94 175.55 2yww n THR 13 N 1.16 1.52 -3.96 2.92 -1.04 -1.26 -3.67 114.28 109.96 2yww n THR 13 Ca 0.04 -0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 61.71 2yww n THR 13 Cb 0.38 -2.01 -0.16 0.00 -1.82 0.00 0.00 70.33 66.72 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 -7.03 0.58 0.00 8.00 0.02 -1.26 -0.36 114.94 114.88 2yww s ASN 14 Ca -0.33 -0.04 0.00 0.00 -1.02 0.00 0.00 52.86 51.47 2yww s ASN 14 Cb 0.10 -0.27 0.00 0.00 0.02 0.00 0.00 41.25 41.10 2yww s ASN 14 CO 0.52 -0.10 0.00 0.61 0.02 0.00 0.00 177.10 178.15 2yww n GLY 15 N 4.19 -0.51 2.97 0.66 0.00 -0.77 0.55 105.19 112.28 2yww n GLY 15 Ca -0.25 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.82 0.39 -0.27 2.61 2.01 0.70 -0.98 115.64 116.27 2yww s THR 16 Ca 0.00 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2yww s THR 16 Cb 0.00 -0.37 0.06 0.00 0.01 0.00 0.00 72.50 72.20 2yww s THR 16 CO 0.00 -0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.13 2yww s VAL 17 N -0.42 2.29 -0.59 3.82 1.01 -0.22 0.01 120.40 126.30 2yww s VAL 17 Ca -0.01 -1.64 -0.20 0.00 0.00 0.00 0.00 61.98 60.12 2yww s VAL 17 Cb -0.04 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 34.06 2yww s VAL 17 CO -0.00 -0.07 0.79 -0.63 0.00 0.00 0.00 175.10 175.19 2yww s ILE 18 N 1.11 4.64 0.34 2.22 1.01 0.19 -0.85 121.20 129.86 2yww s ILE 18 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2yww s ILE 18 Cb -0.20 -4.52 -0.02 0.00 0.01 0.00 0.00 42.46 37.73 2yww s ILE 18 CO -0.05 -1.17 0.36 -0.62 0.00 0.00 0.00 174.94 173.46 2yww s ASP 19 N 3.42 5.55 -1.55 3.58 2.15 -0.06 -1.12 116.67 128.65 2yww s ASP 19 Ca 0.17 -0.38 -0.05 0.00 0.43 0.00 0.00 52.55 52.72 2yww s ASP 19 Cb -0.20 -1.07 0.01 0.00 -0.30 0.00 0.00 42.92 41.36 2yww s ASP 19 CO 0.09 -0.39 0.68 1.41 -0.17 0.00 0.00 175.17 176.80 2yww n HIS 20 N -1.48 -2.08 -2.65 -5.34 8.25 -1.24 -0.95 115.22 109.72 2yww n HIS 20 Ca -0.01 0.58 -0.39 0.00 -0.26 0.00 0.00 57.72 57.64 2yww n HIS 20 Cb 0.59 -4.59 -0.05 0.00 1.12 0.00 0.00 29.99 27.06 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 -3.20 3.89 0.31 1.59 1.01 -0.82 -4.03 121.20 119.94 2yww s ILE 21 Ca 0.34 1.74 -0.29 0.00 0.00 0.00 0.00 60.65 62.44 2yww s ILE 21 Cb -0.15 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 38.15 2yww s ILE 21 CO 0.42 0.30 1.40 0.47 0.00 0.00 0.00 174.94 177.52 2yww n ASP 22 N 0.94 3.06 -4.60 3.58 8.00 -1.26 -1.04 116.55 125.23 2yww n ASP 22 Ca 0.00 1.18 -0.50 0.00 0.71 0.00 0.00 54.79 56.18 2yww n ASP 22 Cb 0.48 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 40.02 2yww n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yww n ALA 23 N 1.12 -0.58 -0.85 2.24 0.00 -1.26 -1.55 120.51 119.63 2yww n ALA 23 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2yww n ALA 23 Cb 0.35 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 2.50 0.79 0.37 0.00 0.00 -1.26 -4.91 105.19 102.67 2yww n GLY 24 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.32 1.35 -0.24 1.61 5.02 -0.60 -4.65 118.16 118.33 2yww n LYS 25 Ca 0.00 -0.93 -0.00 0.00 -2.02 0.00 0.00 58.31 55.36 2yww n LYS 25 Cb 0.00 -1.18 0.11 0.00 -0.02 0.00 0.00 35.03 33.95 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 2.16 0.95 -0.68 7.82 0.00 -1.91 -1.36 119.26 126.23 2yww h ALA 26 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2yww h ALA 26 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2yww h ALA 26 CO 0.00 0.04 0.37 -0.07 0.00 0.00 0.00 179.25 179.59 2yww h LEU 27 N 0.69 0.84 -0.13 0.00 3.38 -1.97 0.32 115.31 118.44 2yww h LEU 27 Ca 0.32 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2yww h LEU 27 Cb 0.24 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2yww h LEU 27 CO -0.21 0.68 0.01 -0.03 0.09 0.00 0.00 178.44 178.98 2yww h MET 28 N 0.95 0.23 -0.19 1.13 4.05 -1.69 -0.92 114.93 118.48 2yww h MET 28 Ca 0.24 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2yww h MET 28 Cb 0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2yww h MET 28 CO -0.04 0.45 0.11 0.28 0.23 0.00 0.00 176.91 177.94 2yww h VAL 29 N -0.02 1.02 -0.73 -5.77 2.07 -0.68 -1.69 116.25 110.46 2yww h VAL 29 Ca 0.04 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2yww h VAL 29 Cb 0.34 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2yww h VAL 29 CO 0.01 0.04 0.45 0.15 0.02 0.00 0.00 177.57 178.24 2yww h PHE 30 N 0.23 0.84 -0.43 1.57 3.57 -0.31 -1.21 116.94 121.20 2yww h PHE 30 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2yww h PHE 30 Cb -0.00 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2yww h PHE 30 CO -0.08 0.47 0.25 -0.22 -2.23 0.00 0.00 178.31 176.49 2yww h LYS 31 N 0.87 0.60 -0.34 1.11 3.64 -0.84 -2.40 116.57 119.20 2yww h LYS 31 Ca 0.30 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2yww h LYS 31 Cb 0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2yww h LYS 31 CO -0.12 0.46 0.07 0.28 -2.27 0.00 0.00 179.45 177.86 2yww h VAL 32 N 0.57 1.17 -0.14 2.00 2.07 -0.76 -2.25 116.25 118.90 2yww h VAL 32 Ca 0.15 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 2yww h VAL 32 Cb 0.03 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2yww h VAL 32 CO -0.03 0.21 -0.38 -0.07 0.02 0.00 0.00 177.57 177.32 2yww h LEU 33 N 0.49 0.31 -3.38 2.57 3.38 -0.87 -3.48 115.31 114.33 2yww h LEU 33 Ca 0.11 -0.13 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 2yww h LEU 33 Cb 0.21 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.90 2yww h LEU 33 CO -0.00 0.67 -0.86 -3.20 0.09 0.00 0.00 178.44 175.15 2yww n ASN 34 N -4.04 -5.37 -4.85 -0.43 4.05 -0.85 -4.95 115.26 98.80 2yww n ASN 34 Ca -0.01 -0.90 -0.31 0.00 0.45 0.00 0.00 54.58 53.80 2yww n ASN 34 Cb 0.47 -2.84 0.02 0.00 1.23 0.00 0.00 39.78 38.66 2yww n ASN 34 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2yww s VAL 35 N -3.25 4.50 0.40 3.44 -7.23 -1.26 -4.98 120.40 112.02 2yww s VAL 35 Ca 0.25 0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 60.99 2yww s VAL 35 Cb -0.11 -3.73 -0.11 0.00 0.56 0.00 0.00 36.38 33.00 2yww s VAL 35 CO 0.87 -1.05 1.15 -2.65 -0.31 0.00 0.00 175.10 173.11 2yww n PRO 36 N -2.83 1.69 -0.24 4.82 -0.02 -1.26 -4.87 135.00 132.29 2yww n PRO 36 Ca 0.06 0.60 0.22 0.00 -2.02 0.00 0.00 63.50 62.36 2yww n PRO 36 Cb 0.54 -2.20 0.56 0.00 -0.02 0.00 0.00 33.50 32.38 2yww n PRO 36 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2yww h LYS 37 N 1.95 0.30 -0.21 -0.52 2.10 -2.05 -1.79 116.57 116.34 2yww h LYS 37 Ca -0.45 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2yww h LYS 37 Cb 1.31 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2yww h LYS 37 CO 0.59 0.20 0.00 -0.85 -2.00 0.00 0.00 179.45 177.39 2yww n GLU 38 N -4.47 1.69 -2.03 0.07 0.00 -1.26 -4.92 120.64 109.73 2yww n GLU 38 Ca 0.20 -1.05 -0.41 0.00 0.00 0.00 0.00 57.16 55.89 2yww n GLU 38 Cb 0.78 -1.34 -0.02 0.00 0.00 0.00 0.00 31.44 30.86 2yww n GLU 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2yww s THR 39 N -1.72 2.69 -0.08 3.84 2.01 -0.68 -4.98 115.64 116.73 2yww s THR 39 Ca 0.28 0.58 -0.25 0.00 0.31 0.00 0.00 61.69 62.61 2yww s THR 39 Cb 0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2yww s THR 39 CO 0.22 0.10 0.77 -0.55 -0.69 0.00 0.00 174.62 174.46 2yww s SER 40 N 0.31 7.04 0.03 3.53 0.15 -1.26 -5.02 113.70 118.48 2yww s SER 40 Ca 0.59 1.26 -0.01 0.00 0.70 0.00 0.00 55.95 58.48 2yww s SER 40 Cb -0.41 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.43 2yww s SER 40 CO 0.44 -0.19 -0.00 -0.69 1.20 0.00 0.00 173.24 173.99 2yww s VAL 41 N 1.10 0.13 -0.09 4.45 1.01 -1.26 -1.99 120.40 123.74 2yww s VAL 41 Ca 0.40 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2yww s VAL 41 Cb -0.18 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2yww s VAL 41 CO 0.19 -0.59 -0.09 -0.32 0.00 0.00 0.00 175.10 174.28 2yww s MET 42 N -1.99 1.58 -0.21 2.72 -2.45 -0.39 -5.00 119.30 113.56 2yww s MET 42 Ca -0.11 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 2yww s MET 42 Cb -0.06 -1.49 0.03 0.00 1.25 0.00 0.00 34.83 34.56 2yww s MET 42 CO -0.03 -0.14 -0.14 0.42 1.05 0.00 0.00 175.02 176.18 2yww s ILE 43 N 1.24 2.34 -0.22 10.11 1.01 -1.26 -1.00 121.20 133.42 2yww s ILE 43 Ca -0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 2yww s ILE 43 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2yww s ILE 43 CO -0.03 0.34 0.10 0.00 0.00 0.00 0.00 174.94 175.35 2yww s ALA 44 N 1.27 3.45 -0.10 9.38 0.00 -0.41 -4.97 121.76 130.39 2yww s ALA 44 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2yww s ALA 44 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.86 2yww s ALA 44 CO -0.09 -0.08 -0.20 0.42 0.00 0.00 0.00 175.76 175.81 2yww s ILE 45 N 0.85 1.81 -1.32 0.00 1.01 -1.26 -0.63 121.20 121.66 2yww s ILE 45 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2yww s ILE 45 Cb -0.13 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2yww s ILE 45 CO 0.03 0.50 1.00 0.59 0.00 0.00 0.00 174.94 177.06 2yww n ASN 46 N 3.80 -3.68 -4.96 3.58 5.03 -0.80 -4.98 115.26 113.24 2yww n ASN 46 Ca -0.20 -0.65 -0.22 0.00 0.87 0.00 0.00 54.58 54.37 2yww n ASN 46 Cb 0.52 -4.72 -0.02 0.00 -1.02 0.00 0.00 39.78 34.54 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 -3.40 5.27 0.39 2.41 -7.23 0.11 -4.76 120.40 113.20 2yww s VAL 47 Ca 0.29 -0.90 -0.25 0.00 -1.81 0.00 0.00 61.98 59.30 2yww s VAL 47 Cb -0.13 -3.83 -0.12 0.00 0.56 0.00 0.00 36.38 32.86 2yww s VAL 47 CO 0.76 -0.28 0.95 -2.65 -0.31 0.00 0.00 175.10 173.57 2yww n PRO 48 N -1.22 1.25 -3.67 4.82 -0.02 -1.26 -0.72 135.00 134.18 2yww n PRO 48 Ca -0.08 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 2yww n PRO 48 Cb 0.56 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.73 -0.18 0.25 2.55 0.15 -0.60 -4.67 113.70 110.48 2yww s SER 49 Ca 0.62 0.85 0.03 0.00 0.70 0.00 0.00 55.95 58.15 2yww s SER 49 Cb -0.60 1.01 0.32 0.00 -1.71 0.00 0.00 66.02 65.04 2yww s SER 49 CO 0.58 -0.22 1.63 0.11 1.20 0.00 0.00 173.24 176.53 2yww h LYS 50 N 7.89 0.36 0.15 5.44 1.79 -1.96 0.87 116.57 131.10 2yww h LYS 50 Ca -0.22 -0.19 -0.27 0.00 -2.18 0.00 0.00 60.65 57.79 2yww h LYS 50 Cb 1.13 0.01 0.03 0.00 -1.58 0.00 0.00 32.23 31.82 2yww h LYS 50 CO 0.18 0.75 -1.16 0.87 -1.08 0.00 0.00 179.45 179.01 2yww h LYS 51 N 0.29 0.53 -0.00 3.15 1.57 -1.98 -3.38 116.57 116.74 2yww h LYS 51 Ca 0.02 -0.76 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 2yww h LYS 51 Cb 0.92 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2yww h LYS 51 CO 0.08 1.34 -0.38 1.63 -0.57 0.00 0.00 179.45 181.55 2yww n LYS 52 N -3.88 3.13 0.00 3.15 5.02 -1.22 -5.01 118.16 119.34 2yww n LYS 52 Ca -0.14 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 2yww n LYS 52 Cb 0.95 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 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 1.12 2.18 3.06 0.72 0.00 0.30 -4.81 105.19 107.76 2yww n GLY 53 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 0.48 0.34 1.61 1.02 -1.26 -1.55 119.74 120.37 2yww s LYS 54 Ca 0.00 -0.73 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 2yww s LYS 54 Cb 0.00 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.55 2yww s LYS 54 CO 0.00 -0.10 0.83 -1.59 -0.92 0.00 0.00 175.35 173.57 2yww s LYS 55 N -2.25 2.02 0.22 1.68 -2.85 0.10 -4.27 119.74 114.39 2yww s LYS 55 Ca -0.08 -1.29 0.11 0.00 -1.00 0.00 0.00 55.97 53.71 2yww s LYS 55 Cb -0.04 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2yww s LYS 55 CO -0.03 -0.95 -0.22 -0.51 0.10 0.00 0.00 175.35 173.74 2yww s ASP 56 N -3.12 3.37 0.01 0.03 1.11 -0.20 -0.71 116.67 117.16 2yww s ASP 56 Ca 0.16 -0.92 0.01 0.00 0.18 0.00 0.00 52.55 51.98 2yww s ASP 56 Cb -0.05 -0.25 -0.01 0.00 1.07 0.00 0.00 42.92 43.68 2yww s ASP 56 CO 0.10 0.07 -0.04 -0.63 1.18 0.00 0.00 175.17 175.85 2yww s ILE 57 N -2.00 0.25 -0.17 0.77 1.01 0.20 -1.95 121.20 119.31 2yww s ILE 57 Ca 0.23 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 2yww s ILE 57 Cb -0.07 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.16 2yww s ILE 57 CO 0.11 -0.17 -0.06 -0.76 0.00 0.00 0.00 174.94 174.06 2yww s LEU 58 N -0.72 1.68 -0.27 2.97 1.43 -0.28 -1.28 118.68 122.21 2yww s LEU 58 Ca -0.05 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 2yww s LEU 58 Cb -0.05 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2yww s LEU 58 CO -0.00 -0.18 0.01 -0.54 0.23 0.00 0.00 176.35 175.86 2yww s LYS 59 N 1.61 2.91 -0.25 1.70 1.02 -0.17 0.56 119.74 127.12 2yww s LYS 59 Ca 0.01 -0.95 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 2yww s LYS 59 Cb -0.15 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2yww s LYS 59 CO -0.08 -0.44 -0.04 0.42 -0.92 0.00 0.00 175.35 174.30 2yww s ILE 60 N 1.40 3.16 0.16 2.17 1.01 0.10 -1.27 121.20 127.93 2yww s ILE 60 Ca 0.01 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 2yww s ILE 60 Cb -0.17 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.66 2yww s ILE 60 CO -0.01 0.23 0.81 -0.70 0.00 0.00 0.00 174.94 175.27 2yww s GLU 61 N 1.39 4.60 0.00 2.79 2.56 -0.84 -0.22 118.70 128.98 2yww s GLU 61 Ca 0.02 1.21 0.00 0.00 0.00 0.00 0.00 54.97 56.19 2yww s GLU 61 Cb -0.16 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.69 2yww s GLU 61 CO -0.03 0.51 0.00 0.41 -0.56 0.00 0.00 175.26 175.59 2yww n GLY 62 N 1.71 0.51 3.03 -1.50 0.00 0.19 -4.50 105.19 104.63 2yww n GLY 62 Ca -0.04 0.00 -0.21 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 -2.28 0.91 -0.35 -0.61 1.01 -1.26 -4.92 121.20 113.70 2yww s ILE 63 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2yww s ILE 63 Cb 0.00 -0.80 0.09 0.00 0.01 0.00 0.00 42.46 41.76 2yww s ILE 63 CO 0.00 0.28 0.07 -1.83 0.00 0.00 0.00 174.94 173.46 2yww s GLU 64 N 0.15 1.97 0.29 2.79 -1.05 -1.26 -3.08 118.70 118.51 2yww s GLU 64 Ca -0.03 -1.65 -0.29 0.00 -0.15 0.00 0.00 54.97 52.85 2yww s GLU 64 Cb -0.09 -3.30 -0.14 0.00 -0.44 0.00 0.00 34.13 30.17 2yww s GLU 64 CO 0.01 -0.87 1.18 1.28 0.95 0.00 0.00 175.26 177.81 2yww n LEU 65 N 4.48 2.54 -4.85 1.83 4.77 -1.26 -4.98 117.00 119.53 2yww n LEU 65 Ca -0.04 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 56.80 2yww n LEU 65 Cb 0.42 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2yww n LEU 65 CO 0.27 -0.95 0.67 -1.59 -1.33 0.00 0.00 177.39 174.46 2yww s LYS 66 N -1.34 3.88 0.27 3.23 -2.85 -1.26 -4.82 119.74 116.85 2yww s LYS 66 Ca 0.61 0.89 -0.03 0.00 -1.00 0.00 0.00 55.97 56.44 2yww s LYS 66 Cb -0.67 -2.14 0.57 0.00 -2.06 0.00 0.00 37.83 33.53 2yww s LYS 66 CO 0.58 -0.31 1.64 -0.22 0.10 0.00 0.00 175.35 177.14 2yww h LYS 67 N 0.73 0.14 -0.72 1.78 3.64 -1.99 -0.65 116.57 119.51 2yww h LYS 67 Ca -0.46 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 2yww h LYS 67 Cb 1.19 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 2yww h LYS 67 CO 0.62 0.09 0.43 1.49 -2.27 0.00 0.00 179.45 179.81 2yww h GLU 68 N 0.14 0.78 -0.28 1.90 4.81 -1.99 -0.06 114.58 119.88 2yww h GLU 68 Ca 0.48 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.52 2yww h GLU 68 Cb 0.92 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2yww h GLU 68 CO -0.68 0.52 -0.38 -0.44 -0.73 0.00 0.00 179.01 177.30 2yww h ASP 69 N 0.81 0.82 0.00 1.04 3.32 -1.55 -2.43 116.42 118.42 2yww h ASP 69 Ca 0.31 -0.50 0.03 0.00 0.02 0.00 0.00 57.03 56.89 2yww h ASP 69 Cb 0.13 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2yww h ASP 69 CO -0.15 1.16 -0.23 0.58 -1.72 0.00 0.00 179.24 178.87 2yww h VAL 70 N 0.50 0.46 0.00 -1.35 2.07 -0.73 -2.44 116.25 114.77 2yww h VAL 70 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2yww h VAL 70 Cb 0.97 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2yww h VAL 70 CO 0.09 0.00 -0.20 0.44 0.02 0.00 0.00 177.57 177.92 2yww h ASP 71 N -0.37 0.00 -0.63 0.57 3.32 -1.03 -2.42 116.42 115.86 2yww h ASP 71 Ca 0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2yww h ASP 71 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2yww h ASP 71 CO -0.21 0.20 0.42 0.11 -1.72 0.00 0.00 179.24 178.04 2yww h LYS 72 N 0.00 0.80 -0.66 3.56 1.57 -0.93 -1.63 116.57 119.28 2yww h LYS 72 Ca -0.00 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2yww h LYS 72 Cb 0.41 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2yww h LYS 72 CO 0.03 0.53 0.44 0.82 -0.57 0.00 0.00 179.45 180.69 2yww h ILE 73 N 0.82 0.94 -0.01 1.86 2.04 -1.36 -1.11 117.51 120.70 2yww h ILE 73 Ca 0.24 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2yww h ILE 73 Cb -0.05 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2yww h ILE 73 CO -0.06 0.10 0.02 0.77 0.00 0.00 0.00 178.15 178.99 2yww h SER 74 N 0.56 0.00 0.63 1.72 4.64 -1.41 0.20 113.55 119.89 2yww h SER 74 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2yww h SER 74 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2yww h SER 74 CO -0.10 0.00 -0.19 0.18 -0.87 0.00 0.00 176.83 175.85 2yww n LEU 75 N -3.31 0.31 -0.05 5.97 4.77 -0.42 -3.95 117.00 120.31 2yww n LEU 75 Ca -0.03 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2yww n LEU 75 Cb 0.10 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2yww n LEU 75 CO 0.22 0.07 -0.84 -0.38 -1.33 0.00 0.00 177.39 175.13 2yww n ILE 76 N -1.32 0.74 -3.63 -0.08 5.41 0.46 -4.96 119.36 115.98 2yww n ILE 76 Ca 0.09 -0.11 -0.29 0.00 1.00 0.00 0.00 62.75 63.44 2yww n ILE 76 Cb 0.32 -1.69 -0.15 0.00 -0.71 0.00 0.00 39.64 37.40 2yww n ILE 76 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2yww s SER 77 N -6.06 3.45 0.00 4.38 0.15 0.09 -4.97 113.70 110.74 2yww s SER 77 Ca -0.16 -1.24 0.11 0.00 0.70 0.00 0.00 55.95 55.35 2yww s SER 77 Cb 0.06 -0.52 0.56 0.00 -1.71 0.00 0.00 66.02 64.41 2yww s SER 77 CO 0.21 -0.40 1.23 -0.81 1.20 0.00 0.00 173.24 174.67 2yww n PRO 78 N 5.11 0.17 -1.03 5.44 -0.04 -1.25 -3.74 135.00 139.66 2yww n PRO 78 Ca -0.05 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 2yww n PRO 78 Cb 0.44 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.52 2yww n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2yww n ASP 79 N -1.26 1.52 -4.86 3.54 8.00 -1.26 -4.95 116.55 117.28 2yww n ASP 79 Ca 0.05 -3.13 -0.31 0.00 0.71 0.00 0.00 54.79 52.11 2yww n ASP 79 Cb 0.08 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.04 4.58 -0.15 2.53 -7.23 -1.25 -4.82 120.40 112.02 2yww s VAL 80 Ca 0.37 0.84 0.01 0.00 -1.81 0.00 0.00 61.98 61.39 2yww s VAL 80 Cb 0.38 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2yww s VAL 80 CO -0.10 -1.09 -0.17 -0.89 -0.31 0.00 0.00 175.10 172.53 2yww s THR 81 N -3.15 2.48 -0.35 5.32 2.01 -0.13 -4.42 115.64 117.40 2yww s THR 81 Ca 0.56 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 2yww s THR 81 Cb -0.12 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2yww s THR 81 CO 0.54 0.52 0.44 -0.63 -0.69 0.00 0.00 174.62 174.80 2yww s ILE 82 N 0.84 5.09 -0.30 1.82 -1.09 0.53 -0.88 121.20 127.21 2yww s ILE 82 Ca -0.05 0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.45 2yww s ILE 82 Cb -0.15 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2yww s ILE 82 CO -0.01 -0.17 0.15 0.20 -1.23 0.00 0.00 174.94 173.87 2yww s ASN 83 N 1.75 5.54 -0.24 3.58 0.01 -0.03 -0.19 114.94 125.36 2yww s ASN 83 Ca 0.15 -0.43 -0.25 0.00 -0.71 0.00 0.00 52.86 51.62 2yww s ASN 83 Cb -0.16 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 2yww s ASN 83 CO 0.13 -0.16 0.86 -0.63 -1.51 0.00 0.00 177.10 175.79 2yww s ILE 84 N 1.63 4.81 -0.14 0.60 -1.09 0.02 -1.05 121.20 125.98 2yww s ILE 84 Ca 0.05 1.65 -0.04 0.00 -2.23 0.00 0.00 60.65 60.07 2yww s ILE 84 Cb -0.17 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 2yww s ILE 84 CO 0.06 -0.09 0.01 -0.63 -1.23 0.00 0.00 174.94 173.07 2yww s ILE 85 N 2.87 4.33 -0.17 2.92 -1.09 -0.16 -1.04 121.20 128.87 2yww s ILE 85 Ca 0.36 -0.21 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 2yww s ILE 85 Cb -0.15 -2.89 0.08 0.00 -1.58 0.00 0.00 42.46 37.91 2yww s ILE 85 CO 0.07 0.52 0.36 -0.13 -1.23 0.00 0.00 174.94 174.53 2yww s ARG 86 N -0.06 0.27 -1.23 2.79 0.52 -0.71 -1.85 118.95 118.68 2yww s ARG 86 Ca 0.04 0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 56.12 2yww s ARG 86 Cb -0.13 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.48 2yww s ARG 86 CO 0.02 -0.24 0.12 0.09 0.02 0.00 0.00 175.30 175.30 2yww n ASN 87 N 5.16 -4.60 -0.10 0.23 3.02 0.51 -2.11 115.26 117.36 2yww n ASN 87 Ca -0.11 -0.07 -0.01 0.00 -0.03 0.00 0.00 54.58 54.36 2yww n ASN 87 Cb 0.50 -3.67 -0.01 0.00 -0.61 0.00 0.00 39.78 36.00 2yww n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yww n GLY 88 N -1.09 0.38 3.38 7.41 0.00 0.19 -4.99 105.19 110.47 2yww n GLY 88 Ca -0.15 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.20 2.16 -0.43 1.61 -0.14 -0.90 -4.97 119.74 115.87 2yww s LYS 89 Ca 0.00 -0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 53.42 2yww s LYS 89 Cb 0.00 -2.14 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 2yww s LYS 89 CO 0.00 0.57 1.37 0.08 -0.76 0.00 0.00 175.35 176.60 2yww s VAL 90 N -0.71 3.95 -1.62 3.17 1.01 -1.26 -1.73 120.40 123.20 2yww s VAL 90 Ca 0.11 0.96 0.21 0.00 0.00 0.00 0.00 61.98 63.26 2yww s VAL 90 Cb -0.10 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 2yww s VAL 90 CO 0.01 -0.82 0.99 1.33 0.00 0.00 0.00 175.10 176.60 2yww n VAL 91 N 7.04 0.00 -3.63 2.92 0.24 -0.21 -4.98 118.33 119.71 2yww n VAL 91 Ca 0.16 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 2yww n VAL 91 Cb 0.48 1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 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 -2.57 0.53 -0.15 7.34 2.12 -1.24 -4.99 118.70 119.74 2yww s GLU 92 Ca 0.14 0.55 0.02 0.00 0.36 0.00 0.00 54.97 56.04 2yww s GLU 92 Cb 0.17 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.83 2yww s GLU 92 CO 0.64 -0.08 -0.21 0.15 -0.54 0.00 0.00 175.26 175.23 2yww s LYS 93 N 0.06 2.96 0.25 4.30 1.02 -1.26 -0.79 119.74 126.28 2yww s LYS 93 Ca 0.02 -0.83 0.11 0.00 0.02 0.00 0.00 55.97 55.30 2yww s LYS 93 Cb -0.04 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 2yww s LYS 93 CO -0.05 -0.07 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.61 2yww s LEU 94 N 0.97 2.62 -0.09 3.17 1.43 0.73 -4.93 118.68 122.58 2yww s LEU 94 Ca -0.04 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.18 2yww s LEU 94 Cb -0.15 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2yww s LEU 94 CO -0.05 0.06 -0.22 -0.75 0.23 0.00 0.00 176.35 175.62 2yww s LYS 95 N -3.27 2.92 0.49 1.70 2.20 -1.26 -0.35 119.74 122.17 2yww s LYS 95 Ca 0.27 -0.85 -0.23 0.00 -0.36 0.00 0.00 55.97 54.80 2yww s LYS 95 Cb -0.06 -2.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.89 2yww s LYS 95 CO 0.14 0.27 1.34 -2.14 -0.36 0.00 0.00 175.35 174.60 2yww s PRO 96 N 0.13 3.46 -0.16 4.03 0.02 -1.26 -5.00 135.00 136.23 2yww s PRO 96 Ca -0.11 2.21 -0.07 0.00 0.02 0.00 0.00 61.00 63.04 2yww s PRO 96 Cb -0.16 -2.44 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 2yww s PRO 96 CO 0.06 -0.92 0.08 -0.65 -0.33 0.00 0.00 177.00 175.24 2yww s GLN 97 N -2.68 3.75 -0.24 5.54 -0.21 -1.26 -4.88 119.66 119.67 2yww s GLN 97 Ca 0.66 -0.28 -0.29 0.00 0.02 0.00 0.00 55.36 55.47 2yww s GLN 97 Cb -0.39 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.44 2yww s GLN 97 CO 0.48 0.45 1.07 0.42 -2.12 0.00 0.00 175.29 175.59 2yww s ILE 98 N -0.13 4.61 0.77 1.08 1.01 -1.26 -4.57 121.20 122.72 2yww s ILE 98 Ca 0.08 1.93 -0.12 0.00 0.00 0.00 0.00 60.65 62.54 2yww s ILE 98 Cb -0.12 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.11 2yww s ILE 98 CO 0.01 -0.23 1.13 -2.16 0.00 0.00 0.00 174.94 173.68 2yww s PRO 99 N 3.32 2.11 0.03 2.79 0.04 -1.26 -4.97 135.00 137.05 2yww s PRO 99 Ca 0.45 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 2yww s PRO 99 Cb -0.15 -1.86 -0.33 0.00 0.04 0.00 0.00 34.50 32.20 2yww s PRO 99 CO 0.08 -1.79 1.03 -0.44 0.04 0.00 0.00 177.00 175.93 2yww h ASP 100 N -0.87 0.82 -4.35 6.66 3.32 -1.95 -3.41 116.42 116.65 2yww h ASP 100 Ca -0.45 -0.88 -0.27 0.00 0.02 0.00 0.00 57.03 55.45 2yww h ASP 100 Cb 1.25 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 2yww h ASP 100 CO 0.50 1.63 -0.70 -1.61 -1.72 0.00 0.00 179.24 177.34 2yww s GLU 101 N -2.75 0.95 -0.02 3.56 2.02 -1.26 -0.27 118.70 120.93 2yww s GLU 101 Ca -0.10 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.49 2yww s GLU 101 Cb 0.04 -0.37 0.02 0.00 0.10 0.00 0.00 34.13 33.92 2yww s GLU 101 CO 0.93 0.00 0.01 0.42 0.02 0.00 0.00 175.26 176.64 2yww s ILE 102 N -3.52 0.07 -0.19 -1.63 1.01 -0.61 -4.97 121.20 111.38 2yww s ILE 102 Ca 0.15 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 2yww s ILE 102 Cb 0.04 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 2yww s ILE 102 CO -0.02 0.10 0.13 -1.61 0.00 0.00 0.00 174.94 173.54 2yww s GLU 103 N 0.79 4.09 3.25 2.79 0.41 -1.26 -1.04 118.70 127.72 2yww s GLU 103 Ca -0.07 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.27 2yww s GLU 103 Cb -0.10 -3.38 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 2yww s GLU 103 CO -0.02 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.52 2yww n GLY 104 N 3.34 2.81 5.00 -1.39 0.00 0.51 -4.71 105.19 110.74 2yww n GLY 104 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.77 2.61 -1.04 -1.26 -4.73 114.28 106.09 2yww n THR 105 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 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 3.73 -0.18 -4.42 1.43 -1.26 -0.82 118.68 117.16 2yww s LEU 106 Ca 0.00 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2yww s LEU 106 Cb 0.00 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2yww s LEU 106 CO 0.00 -0.33 0.05 -0.75 0.23 0.00 0.00 176.35 175.55 2yww s LYS 107 N -4.02 3.93 0.11 1.70 2.20 0.01 -4.73 119.74 118.94 2yww s LYS 107 Ca 0.41 -0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.35 2yww s LYS 107 Cb -0.07 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2yww s LYS 107 CO 0.27 0.29 1.32 0.00 -0.36 0.00 0.00 175.35 176.87 2yww n THR 109 N 3.73 0.10 -3.35 0.00 -2.24 -1.26 -4.66 114.28 106.60 2yww n THR 109 Ca 0.10 -0.11 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 2yww n THR 109 Cb 0.44 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.13 6.16 0.49 3.42 2.47 -1.26 -4.91 114.94 120.18 2yww s ASN 110 Ca 0.11 -1.11 0.27 0.00 0.42 0.00 0.00 52.86 52.55 2yww s ASN 110 Cb 0.05 -2.20 1.34 0.00 -1.45 0.00 0.00 41.25 38.99 2yww s ASN 110 CO 0.08 -0.65 1.86 -0.65 -3.72 0.00 0.00 177.10 174.02 2yww h PRO 111 N 8.78 0.14 -0.40 0.43 0.11 -2.00 -1.11 132.00 137.95 2yww h PRO 111 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2yww h PRO 111 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2yww h PRO 111 CO 0.86 0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.84 2yww n ASN 112 N -4.37 2.87 -4.76 -2.05 3.02 -1.26 -4.68 115.26 104.03 2yww n ASN 112 Ca 0.20 -1.93 -0.38 0.00 -0.03 0.00 0.00 54.58 52.44 2yww n ASN 112 Cb 0.91 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.82 2yww n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yww h ILE 114 N 1.94 0.60 0.00 0.00 2.10 -1.92 0.22 117.51 120.45 2yww h ILE 114 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.44 2yww h ILE 114 Cb 1.26 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 2yww h ILE 114 CO 0.60 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 178.02 2yww n THR 115 N -4.06 0.69 0.48 2.19 -2.24 -1.26 -0.54 114.28 109.54 2yww n THR 115 Ca 0.04 0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 2yww n THR 115 Cb 0.42 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.89 1.35 -0.05 3.42 3.02 0.72 -4.57 115.26 117.26 2yww n ASN 116 Ca 0.04 -1.18 -0.05 0.00 -0.03 0.00 0.00 54.58 53.36 2yww n ASN 116 Cb 0.27 0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.13 2.19 -2.78 3.52 4.76 -0.90 -4.97 118.16 119.86 2yww n LYS 117 Ca 0.05 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.40 2yww n LYS 117 Cb 0.24 -1.23 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 2yww n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2yww n GLU 118 N -2.41 1.58 -2.18 1.97 -0.58 0.30 -5.05 120.64 114.27 2yww n GLU 118 Ca -0.15 -1.08 -0.39 0.00 -0.42 0.00 0.00 57.16 55.11 2yww n GLU 118 Cb 0.78 0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.96 2yww n GLU 118 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2yww n LYS 119 N -0.36 4.65 -3.96 3.49 3.00 -1.26 -4.68 118.16 119.03 2yww n LYS 119 Ca -0.06 -3.82 -0.34 0.00 -0.00 0.00 0.00 58.31 54.09 2yww n LYS 119 Cb 0.19 -2.52 -0.14 0.00 0.00 0.00 0.00 35.03 32.56 2yww n LYS 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2yww s VAL 120 N -2.60 2.87 0.36 3.15 1.01 -1.26 -5.09 120.40 118.83 2yww s VAL 120 Ca 0.49 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2yww s VAL 120 Cb 0.22 -2.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 2yww s VAL 120 CO -0.13 0.21 1.47 0.54 0.00 0.00 0.00 175.10 177.19 2yww n ARG 121 N 4.67 2.60 -1.53 2.72 1.74 -1.26 -4.47 116.66 121.14 2yww n ARG 121 Ca -0.17 0.91 -0.36 0.00 -0.77 0.00 0.00 57.85 57.47 2yww n ARG 121 Cb 0.47 -2.63 0.09 0.00 -1.02 0.00 0.00 32.46 29.37 2yww n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2yww s GLY 122 N -0.07 2.62 -0.15 -0.13 0.00 -1.26 -4.81 107.32 103.51 2yww s GLY 122 Ca 0.55 1.09 -0.08 0.00 0.00 0.00 0.00 44.72 46.28 2yww s GLY 122 CO 0.62 1.51 0.36 1.25 0.00 0.00 0.00 173.10 176.84 2yww s LYS 123 N -3.64 0.33 0.16 2.90 2.20 -1.26 -0.36 119.74 120.06 2yww s LYS 123 Ca 0.79 0.74 0.02 0.00 -0.36 0.00 0.00 55.97 57.16 2yww s LYS 123 Cb -0.34 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.90 2yww s LYS 123 CO 0.43 -0.17 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.18 2yww s PHE 124 N 1.49 1.17 -0.03 4.03 0.40 -0.21 -0.38 117.98 124.46 2yww s PHE 124 Ca -0.09 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 2yww s PHE 124 Cb -0.09 -0.66 0.03 0.00 0.51 0.00 0.00 43.02 42.80 2yww s PHE 124 CO -0.11 -0.18 0.01 0.21 0.70 0.00 0.00 175.22 175.85 2yww s LYS 125 N -3.89 0.22 -0.23 0.44 2.20 -0.19 -1.57 119.74 116.72 2yww s LYS 125 Ca 0.22 0.12 -0.25 0.00 -0.36 0.00 0.00 55.97 55.69 2yww s LYS 125 Cb 0.06 -0.46 -0.00 0.00 -1.51 0.00 0.00 37.83 35.92 2yww s LYS 125 CO 0.02 -0.16 0.87 0.42 -0.36 0.00 0.00 175.35 176.14 2yww s ILE 126 N 1.14 4.81 -0.93 5.43 1.09 0.62 -0.90 121.20 132.47 2yww s ILE 126 Ca -0.08 1.65 0.17 0.00 -1.10 0.00 0.00 60.65 61.30 2yww s ILE 126 Cb -0.13 -4.15 -0.17 0.00 -1.06 0.00 0.00 42.46 36.95 2yww s ILE 126 CO -0.02 -0.08 0.77 -0.62 -0.10 0.00 0.00 174.94 174.88 2yww n GLU 127 N 5.97 1.26 -3.67 2.79 1.02 0.04 -4.91 120.64 123.16 2yww n GLU 127 Ca 0.07 -0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 2yww n GLU 127 Cb 0.47 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.58 -0.65 -0.17 1.62 0.15 -1.20 -4.95 113.70 105.92 2yww s SER 128 Ca 0.08 1.22 0.02 0.00 0.70 0.00 0.00 55.95 57.97 2yww s SER 128 Cb 0.13 1.22 -0.22 0.00 -1.71 0.00 0.00 66.02 65.44 2yww s SER 128 CO 0.69 -0.21 0.17 0.29 1.20 0.00 0.00 173.24 175.37 2yww n LYS 129 N 2.96 0.70 -3.49 5.44 5.02 -1.26 -0.91 118.16 126.62 2yww n LYS 129 Ca -0.15 0.20 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 2yww n LYS 129 Cb 0.56 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 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 -6.56 2.79 0.69 4.39 2.47 -1.26 -2.43 114.94 115.03 2yww s ASN 130 Ca -0.23 -1.06 -0.14 0.00 0.42 0.00 0.00 52.86 51.85 2yww s ASN 130 Cb 0.08 -0.02 0.01 0.00 -1.45 0.00 0.00 41.25 39.87 2yww s ASN 130 CO 0.73 -0.42 1.10 -2.16 -3.72 0.00 0.00 177.10 172.63 2yww s PRO 131 N 2.20 2.69 -0.09 0.43 0.04 -1.26 -5.10 135.00 133.92 2yww s PRO 131 Ca 0.09 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2yww s PRO 131 Cb -0.15 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2yww s PRO 131 CO -0.35 -1.32 1.36 -1.17 0.04 0.00 0.00 177.00 175.56 2yww s LEU 132 N -5.14 4.26 -0.14 -3.56 2.96 -1.02 -4.58 118.68 111.46 2yww s LEU 132 Ca 0.65 1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 56.47 2yww s LEU 132 Cb -0.19 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.98 2yww s LEU 132 CO 0.45 -0.75 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.11 2yww s LYS 133 N 3.13 1.64 -0.16 1.98 1.02 -0.09 -4.97 119.74 122.29 2yww s LYS 133 Ca 0.61 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2yww s LYS 133 Cb -0.27 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2yww s LYS 133 CO 0.21 -0.32 -0.16 0.42 -0.92 0.00 0.00 175.35 174.58 2yww s ILE 134 N 1.63 2.52 -0.12 2.17 1.01 -1.26 -0.78 121.20 126.37 2yww s ILE 134 Ca 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2yww s ILE 134 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2yww s ILE 134 CO -0.08 0.52 0.01 -0.60 0.00 0.00 0.00 174.94 174.79 2yww s ARG 135 N 0.94 3.39 0.22 2.79 3.52 -0.07 -0.60 118.95 129.13 2yww s ARG 135 Ca -0.03 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 2yww s ARG 135 Cb -0.15 -2.94 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 2yww s ARG 135 CO -0.03 0.51 1.23 0.00 -0.81 0.00 0.00 175.30 176.20 2yww h TYR 137 N 4.88 0.77 0.00 0.00 3.20 -1.04 -0.97 116.97 123.80 2yww h TYR 137 Ca -0.45 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.25 2yww h TYR 137 Cb 1.21 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2yww h TYR 137 CO 0.61 0.77 -0.24 1.88 -1.64 0.00 0.00 178.16 179.55 2yww h TYR 138 N 0.64 0.00 0.00 -3.82 0.05 -1.92 -3.37 116.97 108.56 2yww h TYR 138 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2yww h TYR 138 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2yww h TYR 138 CO 0.03 0.72 -0.61 0.00 -1.05 0.00 0.00 178.16 177.24 2yww n GLU 140 N -1.71 -1.63 -3.74 0.00 1.02 -0.37 -4.99 120.64 109.23 2yww n GLU 140 Ca 0.04 1.05 -0.34 0.00 -0.02 0.00 0.00 57.16 57.89 2yww n GLU 140 Cb 0.37 -5.60 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 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 -4.51 3.60 0.35 3.49 -0.14 -1.26 -4.74 119.74 116.53 2yww s LYS 141 Ca 0.00 -0.06 -0.26 0.00 -1.36 0.00 0.00 55.97 54.29 2yww s LYS 141 Cb 0.00 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.01 2yww s LYS 141 CO 0.00 0.62 1.05 -0.06 -0.76 0.00 0.00 175.35 176.20 2yww s PHE 142 N -1.35 3.43 0.41 3.18 0.08 -1.26 -1.36 117.98 121.11 2yww s PHE 142 Ca 0.29 1.69 -0.25 0.00 0.12 0.00 0.00 56.93 58.79 2yww s PHE 142 Cb -0.13 -3.14 -0.08 0.00 -0.57 0.00 0.00 43.02 39.09 2yww s PHE 142 CO 0.17 -0.46 1.15 -0.51 -0.10 0.00 0.00 175.22 175.47 2yww s LEU 143 N -2.19 4.15 0.00 -0.37 1.43 0.23 -4.90 118.68 117.04 2yww s LEU 143 Ca 0.53 2.28 0.20 0.00 -1.03 0.00 0.00 54.13 56.10 2yww s LEU 143 Cb -0.24 -4.09 0.35 0.00 0.03 0.00 0.00 46.19 42.23 2yww s LEU 143 CO 0.31 -0.68 1.29 -0.46 0.23 0.00 0.00 176.35 177.04 2yww n ASN 144 N -0.05 3.15 -3.58 2.29 0.23 -1.26 -4.78 115.26 111.26 2yww n ASN 144 Ca 0.05 -1.91 -0.09 0.00 -0.53 0.00 0.00 54.58 52.09 2yww n ASN 144 Cb 0.47 -0.20 -0.05 0.00 -2.08 0.00 0.00 39.78 37.93 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 -1.34 0.55 -0.37 -3.83 2.12 -1.26 -5.13 118.70 109.44 2yww s GLU 145 Ca 0.32 0.08 -0.16 0.00 0.36 0.00 0.00 54.97 55.56 2yww s GLU 145 Cb 0.19 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.84 2yww s GLU 145 CO 0.27 -0.18 0.42 0.08 -0.54 0.00 0.00 175.26 175.30 2yww s VAL 146 N -1.36 5.11 -0.14 3.70 1.01 -1.26 -4.86 120.40 122.60 2yww s VAL 146 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2yww s VAL 146 Cb -0.01 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2yww s VAL 146 CO -0.01 -0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 174.15 2yww s ILE 147 N 2.13 1.23 -0.13 2.22 1.01 -1.26 -5.06 121.20 121.33 2yww s ILE 147 Ca 0.13 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2yww s ILE 147 Cb -0.16 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2yww s ILE 147 CO 0.13 0.31 0.77 -0.36 0.00 0.00 0.00 174.94 175.78 2yww s PHE 148 N 1.61 3.47 -2.06 3.97 0.08 -1.26 -0.81 117.98 122.98 2yww s PHE 148 Ca 0.03 1.23 0.32 0.00 0.12 0.00 0.00 56.93 58.63 2yww s PHE 148 Cb -0.14 -2.93 1.80 0.00 -0.57 0.00 0.00 43.02 41.19 2yww s PHE 148 CO -0.09 -0.12 2.17 -1.91 -0.10 0.00 0.00 175.22 175.18