#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 n SER 2 N 0.00 -2.03 -0.03 1.61 2.88 -1.26 -4.96 113.62 109.83 2yu6 n SER 2 Ca 0.00 -0.33 -0.12 0.00 -1.33 0.00 0.00 58.87 57.09 2yu6 n SER 2 Cb 0.00 -2.95 -0.07 0.00 -0.75 0.00 0.00 64.21 60.45 2yu6 n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2yu6 h SER 3 N -1.00 0.18 0.00 -3.46 4.64 -2.05 -3.49 113.55 108.38 2yu6 h SER 3 Ca -0.31 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2yu6 h SER 3 Cb 1.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2yu6 h SER 3 CO 0.26 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 2yu6 n GLY 4 N -0.37 1.17 2.94 -0.77 0.00 -1.26 -5.05 105.19 101.86 2yu6 n GLY 4 Ca -0.06 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2yu6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu6 n SER 5 N 0.00 -5.05 -3.15 1.61 7.64 -1.26 -5.00 113.62 108.41 2yu6 n SER 5 Ca 0.00 0.32 0.04 0.00 1.01 0.00 0.00 58.87 60.24 2yu6 n SER 5 Cb 0.00 -0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 62.44 2yu6 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu6 s SER 6 N -0.96 -1.40 0.00 6.43 0.15 -1.26 -4.96 113.70 111.70 2yu6 s SER 6 Ca 0.43 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2yu6 s SER 6 Cb -0.27 2.05 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 2yu6 s SER 6 CO 0.74 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2yu6 n GLY 7 N 5.42 1.54 3.86 9.45 0.00 -1.26 -4.98 105.19 119.22 2yu6 n GLY 7 Ca 0.01 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 2yu6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu6 s VAL 8 N -2.00 5.14 -0.18 1.61 0.11 -1.26 -2.20 120.40 121.62 2yu6 s VAL 8 Ca 0.00 0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 59.50 2yu6 s VAL 8 Cb 0.00 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2yu6 s VAL 8 CO 0.00 0.44 0.09 -0.60 -3.33 0.00 0.00 175.10 171.70 2yu6 s ARG 9 N -1.50 3.95 0.10 1.54 6.06 -0.83 -4.90 118.95 123.38 2yu6 s ARG 9 Ca 0.27 -0.28 -0.09 0.00 -2.50 0.00 0.00 55.73 53.13 2yu6 s ARG 9 Cb -0.15 -3.26 -0.06 0.00 0.06 0.00 0.00 34.95 31.54 2yu6 s ARG 9 CO 0.15 0.36 0.42 0.71 -2.50 0.00 0.00 175.30 174.43 2yu6 s TYR 10 N 0.15 3.56 -0.04 5.12 1.51 -1.26 -1.15 117.35 125.24 2yu6 s TYR 10 Ca 0.07 0.78 -0.08 0.00 -1.01 0.00 0.00 57.07 56.83 2yu6 s TYR 10 Cb -0.12 -2.16 0.01 0.00 -0.11 0.00 0.00 41.96 39.58 2yu6 s TYR 10 CO -0.00 0.48 0.19 -0.06 -1.11 0.00 0.00 175.55 175.05 2yu6 s PHE 11 N -1.47 -0.12 -0.33 2.71 0.08 0.80 -2.94 117.98 116.72 2yu6 s PHE 11 Ca 0.35 0.26 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 2yu6 s PHE 11 Cb -0.14 0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 2yu6 s PHE 11 CO 0.19 -0.21 0.19 0.42 -0.10 0.00 0.00 175.22 175.72 2yu6 s ILE 12 N -0.63 4.92 -0.29 0.64 -1.09 -1.18 -0.35 121.20 123.22 2yu6 s ILE 12 Ca -0.07 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2yu6 s ILE 12 Cb -0.04 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2yu6 s ILE 12 CO 0.01 0.03 0.04 -0.04 -1.23 0.00 0.00 174.94 173.75 2yu6 s MET 13 N 1.66 2.89 0.19 2.79 -1.94 -0.72 -0.84 119.30 123.33 2yu6 s MET 13 Ca 0.05 -0.98 -0.13 0.00 -1.71 0.00 0.00 55.69 52.93 2yu6 s MET 13 Cb -0.17 -3.28 -0.07 0.00 2.01 0.00 0.00 34.83 33.32 2yu6 s MET 13 CO 0.08 -0.49 0.56 0.15 -0.01 0.00 0.00 175.02 175.32 2yu6 s LYS 14 N 1.42 3.92 -0.02 2.03 -0.14 -1.26 -1.74 119.74 123.94 2yu6 s LYS 14 Ca 0.01 0.43 0.05 0.00 -1.36 0.00 0.00 55.97 55.09 2yu6 s LYS 14 Cb -0.18 -2.79 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 2yu6 s LYS 14 CO 0.01 0.39 -0.17 0.45 -0.76 0.00 0.00 175.35 175.27 2yu6 s SER 15 N -2.00 1.98 0.08 2.83 0.15 -0.40 -4.87 113.70 111.47 2yu6 s SER 15 Ca 0.43 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 2yu6 s SER 15 Cb -0.13 -0.29 -0.17 0.00 -1.71 0.00 0.00 66.02 63.72 2yu6 s SER 15 CO 0.20 0.19 1.68 0.28 1.20 0.00 0.00 173.24 176.80 2yu6 h SER 16 N 5.84 -0.38 -3.22 5.45 0.02 -1.96 -1.30 113.55 117.99 2yu6 h SER 16 Ca -0.36 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.12 2yu6 h SER 16 Cb 1.16 0.10 -0.14 0.00 0.14 0.00 0.00 62.40 63.66 2yu6 h SER 16 CO 0.48 -0.27 -0.58 0.21 -1.14 0.00 0.00 176.83 175.53 2yu6 s ASN 17 N -4.80 2.44 0.00 3.07 2.47 -1.26 -4.31 114.94 112.55 2yu6 s ASN 17 Ca -0.15 -1.45 -0.22 0.00 0.42 0.00 0.00 52.86 51.46 2yu6 s ASN 17 Cb 0.05 0.08 -0.20 0.00 -1.45 0.00 0.00 41.25 39.74 2yu6 s ASN 17 CO 0.64 -0.70 1.18 0.25 -3.72 0.00 0.00 177.10 174.75 2yu6 h LEU 18 N 2.03 0.37 -0.57 3.21 7.12 -1.98 -3.33 115.31 122.17 2yu6 h LEU 18 Ca -0.39 -0.65 0.07 0.00 0.13 0.00 0.00 57.88 57.04 2yu6 h LEU 18 Cb 1.25 -0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 41.18 2yu6 h LEU 18 CO 0.66 0.95 -0.52 -0.09 -0.13 0.00 0.00 178.44 179.32 2yu6 h ARG 19 N -0.20 -0.26 -1.65 1.25 9.65 -2.00 0.60 114.38 121.77 2yu6 h ARG 19 Ca -0.02 0.02 0.48 0.00 -1.10 0.00 0.00 59.98 59.36 2yu6 h ARG 19 Cb 0.94 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.52 2yu6 h ARG 19 CO 0.06 -0.17 1.31 -0.91 2.80 0.00 0.00 179.97 183.06 2yu6 h ASN 20 N -0.27 0.00 0.26 -3.80 2.35 -2.00 1.64 115.58 113.76 2yu6 h ASN 20 Ca 0.13 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.56 2yu6 h ASN 20 Cb 0.56 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.96 2yu6 h ASN 20 CO -0.69 0.00 -1.40 0.25 -1.65 0.00 0.00 177.43 173.94 2yu6 h LEU 21 N 0.00 0.83 -0.95 1.61 5.85 0.05 -3.30 115.31 119.39 2yu6 h LEU 21 Ca 0.78 -0.85 0.27 0.00 0.84 0.00 0.00 57.88 58.93 2yu6 h LEU 21 Cb 3.40 -0.27 -0.14 0.00 0.37 0.00 0.00 40.66 44.02 2yu6 h LEU 21 CO -0.01 1.66 0.46 -0.33 -0.34 0.00 0.00 178.44 179.88 2yu6 h GLU 22 N 0.18 0.34 -0.99 1.25 4.39 0.28 0.46 114.58 120.50 2yu6 h GLU 22 Ca -0.23 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.61 2yu6 h GLU 22 Cb 2.08 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 30.57 2yu6 h GLU 22 CO 0.26 0.22 0.62 0.82 -1.16 0.00 0.00 179.01 179.77 2yu6 h ILE 23 N 0.35 0.79 0.00 3.13 5.03 -1.62 0.53 117.51 125.72 2yu6 h ILE 23 Ca 0.65 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 65.11 2yu6 h ILE 23 Cb 1.36 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 2yu6 h ILE 23 CO -0.59 0.15 0.00 -1.28 -0.68 0.00 0.00 178.15 175.75 2yu6 h SER 24 N 0.81 0.00 0.46 1.72 0.87 -0.07 0.41 113.55 117.75 2yu6 h SER 24 Ca 0.53 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.79 2yu6 h SER 24 Cb 0.77 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 2yu6 h SER 24 CO -0.31 0.00 -1.72 1.56 -0.53 0.00 0.00 176.83 175.83 2yu6 h GLN 25 N 0.00 0.04 0.00 2.24 4.20 0.24 -3.06 115.11 118.77 2yu6 h GLN 25 Ca 0.00 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2yu6 h GLN 25 Cb 0.61 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2yu6 h GLN 25 CO 0.00 0.63 -1.47 1.04 -0.67 0.00 0.00 178.83 178.36 2yu6 n GLN 26 N -3.13 0.54 0.06 1.46 1.13 0.24 -4.53 117.38 113.16 2yu6 n GLN 26 Ca -0.18 0.31 -0.04 0.00 -1.94 0.00 0.00 57.00 55.15 2yu6 n GLN 26 Cb 1.05 -1.52 0.18 0.00 0.11 0.00 0.00 30.24 30.05 2yu6 n GLN 26 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2yu6 h LYS 27 N -1.00 0.34 0.00 -1.09 1.79 -0.38 -3.47 116.57 112.75 2yu6 h LYS 27 Ca -0.27 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2yu6 h LYS 27 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2yu6 h LYS 27 CO -0.16 0.71 0.00 0.41 -1.08 0.00 0.00 179.45 179.33 2yu6 n GLY 28 N -0.08 0.60 3.17 3.86 0.00 -1.08 -5.00 105.19 106.65 2yu6 n GLY 28 Ca -0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 2yu6 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yu6 s ILE 29 N -2.00 0.07 -0.09 -0.61 -5.25 -1.25 -2.37 121.20 109.70 2yu6 s ILE 29 Ca 0.00 -1.91 -0.11 0.00 -0.99 0.00 0.00 60.65 57.64 2yu6 s ILE 29 Cb 0.00 -2.16 0.03 0.00 2.95 0.00 0.00 42.46 43.28 2yu6 s ILE 29 CO 0.00 -0.34 0.29 0.86 -1.79 0.00 0.00 174.94 173.96 2yu6 s TRP 30 N -4.07 -0.28 -0.21 1.37 -0.11 0.11 -3.34 118.94 112.40 2yu6 s TRP 30 Ca 0.28 0.66 0.01 0.00 1.22 0.00 0.00 56.10 58.27 2yu6 s TRP 30 Cb 0.07 0.10 0.04 0.00 -1.50 0.00 0.00 33.47 32.19 2yu6 s TRP 30 CO 0.04 -0.20 -0.11 0.45 -4.62 0.00 0.00 176.95 172.51 2yu6 s SER 31 N -0.17 3.63 0.43 5.86 0.15 -1.26 -2.03 113.70 120.31 2yu6 s SER 31 Ca -0.03 -0.99 0.07 0.00 0.70 0.00 0.00 55.95 55.70 2yu6 s SER 31 Cb -0.03 -1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.91 2yu6 s SER 31 CO 0.01 -0.14 0.20 0.28 1.20 0.00 0.00 173.24 174.79 2yu6 s THR 32 N 1.31 2.20 0.41 6.45 -1.32 -1.26 -5.03 115.64 118.41 2yu6 s THR 32 Ca -0.02 -1.67 -0.26 0.00 -1.21 0.00 0.00 61.69 58.52 2yu6 s THR 32 Cb -0.17 -2.87 -0.10 0.00 -1.51 0.00 0.00 72.50 67.85 2yu6 s THR 32 CO -0.08 0.00 1.36 1.07 -2.21 0.00 0.00 174.62 174.76 2yu6 n THR 33 N -1.31 2.46 0.98 5.08 5.66 -1.26 -4.59 114.28 121.30 2yu6 n THR 33 Ca -0.02 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.52 2yu6 n THR 33 Cb 0.65 -1.73 0.22 0.00 -1.55 0.00 0.00 70.33 67.92 2yu6 n THR 33 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2yu6 n PRO 34 N 0.11 0.49 0.01 1.09 -0.04 -1.26 -2.03 135.00 133.36 2yu6 n PRO 34 Ca 0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 34 Cb 0.40 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu6 n SER 35 N -0.74 0.65 -0.25 3.54 7.64 -1.26 -4.21 113.62 119.00 2yu6 n SER 35 Ca 0.06 -0.46 0.07 0.00 1.01 0.00 0.00 58.87 59.54 2yu6 n SER 35 Cb 0.03 0.98 0.10 0.00 -1.01 0.00 0.00 64.21 64.30 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yu6 n ASN 36 N -1.80 1.56 -0.10 6.43 3.02 -0.86 -4.78 115.26 118.73 2yu6 n ASN 36 Ca 0.02 -2.76 -0.21 0.00 -0.03 0.00 0.00 54.58 51.61 2yu6 n ASN 36 Cb 0.41 -0.36 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yu6 n GLU 37 N -0.94 0.56 -0.25 3.52 1.02 -1.21 -3.92 120.64 119.41 2yu6 n GLU 37 Ca 0.11 0.56 0.24 0.00 -0.02 0.00 0.00 57.16 58.05 2yu6 n GLU 37 Cb 0.67 -1.73 0.43 0.00 -0.02 0.00 0.00 31.44 30.79 2yu6 n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2yu6 n ARG 38 N -4.44 -0.04 0.09 3.49 -4.01 -1.26 0.92 116.66 111.41 2yu6 n ARG 38 Ca -0.31 0.96 -0.10 0.00 -1.04 0.00 0.00 57.85 57.36 2yu6 n ARG 38 Cb 0.66 -1.77 -0.07 0.00 -3.04 0.00 0.00 32.46 28.24 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 -3.04 0.00 0.00 177.63 176.16 2yu6 h LYS 39 N 0.00 -0.29 -1.00 2.89 2.10 -1.93 -1.39 116.57 116.95 2yu6 h LYS 39 Ca 0.61 0.02 0.22 0.00 -2.00 0.00 0.00 60.65 59.50 2yu6 h LYS 39 Cb 1.70 0.07 -0.11 0.00 -0.90 0.00 0.00 32.23 32.99 2yu6 h LYS 39 CO -0.50 0.07 0.62 -0.07 -2.00 0.00 0.00 179.45 177.56 2yu6 h LEU 40 N -0.91 0.67 0.14 7.07 3.38 0.43 0.88 115.31 126.97 2yu6 h LEU 40 Ca -0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2yu6 h LEU 40 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2yu6 h LEU 40 CO 0.05 0.18 -0.07 0.78 0.09 0.00 0.00 178.44 179.47 2yu6 h ASN 41 N 0.62 -0.16 0.29 -0.43 4.21 -1.01 -2.70 115.58 116.39 2yu6 h ASN 41 Ca 0.60 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.12 2yu6 h ASN 41 Cb 1.13 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 38.34 2yu6 h ASN 41 CO -0.38 -0.00 -0.44 -0.09 -1.29 0.00 0.00 177.43 175.22 2yu6 h ARG 42 N -0.42 -0.76 -0.74 0.81 9.65 -1.00 -2.58 114.38 119.34 2yu6 h ARG 42 Ca -0.02 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.05 2yu6 h ARG 42 Cb 0.15 0.17 -0.14 0.00 -1.39 0.00 0.00 29.97 28.76 2yu6 h ARG 42 CO 0.03 -0.51 -0.23 0.00 2.80 0.00 0.00 179.97 182.06 2yu6 h ALA 43 N -0.44 0.37 -1.29 2.80 0.00 0.62 0.66 119.26 121.98 2yu6 h ALA 43 Ca -0.02 0.27 0.38 0.00 0.00 0.00 0.00 54.91 55.55 2yu6 h ALA 43 Cb 0.74 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 2yu6 h ALA 43 CO -0.15 -0.48 0.87 0.35 0.00 0.00 0.00 179.25 179.84 2yu6 h PHE 44 N -0.04 0.37 0.00 0.00 3.57 -1.11 0.90 116.94 120.63 2yu6 h PHE 44 Ca 0.34 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.71 2yu6 h PHE 44 Cb 0.56 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2yu6 h PHE 44 CO -0.63 -0.06 -1.02 0.91 -2.23 0.00 0.00 178.31 175.29 2yu6 n TRP 45 N -4.46 0.87 0.19 0.41 8.01 0.19 -4.11 117.44 118.55 2yu6 n TRP 45 Ca 0.32 0.38 0.11 0.00 -1.31 0.00 0.00 57.50 57.00 2yu6 n TRP 45 Cb 1.31 -0.93 0.59 0.00 -2.01 0.00 0.00 31.31 30.27 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 2yu6 h GLU 46 N -1.00 0.00 -5.33 -0.99 5.08 0.20 -3.42 114.58 109.12 2yu6 h GLU 46 Ca -0.21 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.63 2yu6 h GLU 46 Cb 0.98 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.09 2yu6 h GLU 46 CO -0.13 0.00 -0.60 -1.12 -1.00 0.00 0.00 179.01 176.16 2yu6 s SER 47 N -3.98 2.78 -0.08 1.42 0.01 0.30 -4.73 113.70 109.42 2yu6 s SER 47 Ca -0.02 -1.39 -0.23 0.00 1.31 0.00 0.00 55.95 55.62 2yu6 s SER 47 Cb 0.06 -0.14 -0.18 0.00 0.21 0.00 0.00 66.02 65.96 2yu6 s SER 47 CO 0.20 -0.58 0.85 -1.28 0.41 0.00 0.00 173.24 172.84 2yu6 h SER 48 N 2.01 -0.08 -4.69 2.44 0.87 -1.68 -3.43 113.55 108.99 2yu6 h SER 48 Ca -0.41 -0.55 -0.31 0.00 -1.23 0.00 0.00 61.79 59.29 2yu6 h SER 48 Cb 1.24 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 63.08 2yu6 h SER 48 CO 0.72 0.59 -0.63 -0.63 -0.53 0.00 0.00 176.83 176.36 2yu6 s ILE 49 N -3.08 0.49 -0.30 2.23 1.01 -1.26 -4.96 121.20 115.33 2yu6 s ILE 49 Ca -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 60.65 58.51 2yu6 s ILE 49 Cb -0.00 -2.46 0.10 0.00 0.01 0.00 0.00 42.46 40.11 2yu6 s ILE 49 CO 0.54 -0.15 0.10 -0.69 0.00 0.00 0.00 174.94 174.74 2yu6 s VAL 50 N -3.80 0.80 -0.20 2.92 1.01 -1.26 -1.95 120.40 117.91 2yu6 s VAL 50 Ca 0.34 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 2yu6 s VAL 50 Cb 0.07 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 2yu6 s VAL 50 CO 0.10 -0.66 0.94 -0.31 0.00 0.00 0.00 175.10 175.18 2yu6 s TYR 51 N 1.66 3.38 -0.33 5.22 2.02 -0.30 -0.64 117.35 128.35 2yu6 s TYR 51 Ca 0.09 1.37 0.02 0.00 -0.37 0.00 0.00 57.07 58.18 2yu6 s TYR 51 Cb -0.17 -3.15 0.09 0.00 -0.40 0.00 0.00 41.96 38.33 2yu6 s TYR 51 CO -0.25 -0.37 0.05 -0.51 -1.57 0.00 0.00 175.55 172.89 2yu6 s LEU 52 N 2.69 4.55 -0.58 -1.29 1.43 -0.59 -0.14 118.68 124.75 2yu6 s LEU 52 Ca 0.41 -1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 51.30 2yu6 s LEU 52 Cb -0.16 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2yu6 s LEU 52 CO 0.10 -0.37 1.28 -0.69 0.23 0.00 0.00 176.35 176.90 2yu6 s VAL 53 N 1.01 3.92 0.19 -1.59 1.01 0.52 -1.47 120.40 123.99 2yu6 s VAL 53 Ca 0.06 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 2yu6 s VAL 53 Cb -0.20 -4.64 -0.08 0.00 0.00 0.00 0.00 36.38 31.46 2yu6 s VAL 53 CO -0.06 -1.31 0.78 -0.36 0.00 0.00 0.00 175.10 174.15 2yu6 s PHE 54 N 5.38 3.84 -0.20 5.22 0.40 0.15 -1.75 117.98 131.02 2yu6 s PHE 54 Ca 0.46 1.60 -0.14 0.00 -0.60 0.00 0.00 56.93 58.25 2yu6 s PHE 54 Cb -0.09 -2.75 0.06 0.00 0.51 0.00 0.00 43.02 40.75 2yu6 s PHE 54 CO 0.25 0.45 0.50 0.45 0.70 0.00 0.00 175.22 177.57 2yu6 s SER 55 N -1.29 -0.60 0.30 1.36 0.15 -0.71 -2.34 113.70 110.56 2yu6 s SER 55 Ca 0.39 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.87 2yu6 s SER 55 Cb -0.21 0.98 -0.09 0.00 -1.71 0.00 0.00 66.02 64.99 2yu6 s SER 55 CO 0.25 -0.20 0.84 -0.69 1.20 0.00 0.00 173.24 174.65 2yu6 s VAL 56 N 1.02 4.40 0.54 4.45 1.01 -1.26 -1.27 120.40 129.28 2yu6 s VAL 56 Ca -0.06 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.22 2yu6 s VAL 56 Cb -0.06 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2yu6 s VAL 56 CO -0.09 0.09 1.30 0.00 0.00 0.00 0.00 175.10 176.40 2yu6 s GLN 57 N -2.21 3.22 0.00 2.72 -2.07 -0.49 -3.37 119.66 117.45 2yu6 s GLN 57 Ca 0.49 2.09 0.00 0.00 -1.82 0.00 0.00 55.36 56.12 2yu6 s GLN 57 Cb -0.16 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.53 2yu6 s GLN 57 CO 0.21 -1.08 0.00 0.41 -1.32 0.00 0.00 175.29 173.51 2yu6 n GLY 58 N 0.66 1.35 3.64 2.60 0.00 -1.26 -4.93 105.19 107.25 2yu6 n GLY 58 Ca 0.10 -0.02 -0.53 0.00 0.00 0.00 0.00 46.02 45.57 2yu6 n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu6 n SER 59 N 3.36 2.10 -1.38 1.61 7.64 -1.22 -4.82 113.62 120.91 2yu6 n SER 59 Ca 0.00 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 60.91 2yu6 n SER 59 Cb 0.00 -1.20 0.04 0.00 -1.01 0.00 0.00 64.21 62.04 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu6 n GLY 60 N 3.24 2.75 3.24 0.23 0.00 -1.26 -4.78 105.19 108.61 2yu6 n GLY 60 Ca 0.21 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2yu6 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yu6 s HIS 61 N -0.82 1.24 -0.37 1.61 3.76 -1.26 -1.30 115.29 118.14 2yu6 s HIS 61 Ca 0.14 -1.10 -0.10 0.00 -0.15 0.00 0.00 55.06 53.85 2yu6 s HIS 61 Cb 0.12 -0.70 0.03 0.00 1.11 0.00 0.00 32.58 33.13 2yu6 s HIS 61 CO 0.02 -0.30 0.20 -0.06 -0.85 0.00 0.00 174.74 173.75 2yu6 s PHE 62 N -3.75 3.25 0.65 1.40 0.08 0.89 -4.46 117.98 116.03 2yu6 s PHE 62 Ca 0.28 -1.03 0.25 0.00 0.12 0.00 0.00 56.93 56.55 2yu6 s PHE 62 Cb 0.07 -2.43 1.32 0.00 -0.57 0.00 0.00 43.02 41.41 2yu6 s PHE 62 CO 0.06 -0.66 1.75 1.96 -0.10 0.00 0.00 175.22 178.23 2yu6 h GLN 63 N 8.41 0.00 0.00 0.44 7.50 -1.76 -3.05 115.11 126.65 2yu6 h GLN 63 Ca -0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.90 2yu6 h GLN 63 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.63 2yu6 h GLN 63 CO 0.66 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.40 2yu6 n GLY 64 N -1.35 2.62 3.55 3.46 0.00 -1.07 -4.49 105.19 107.91 2yu6 n GLY 64 Ca 0.02 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N -1.96 2.49 -0.12 1.61 -0.71 -1.26 0.34 117.98 118.38 2yu6 s PHE 65 Ca 0.00 -0.28 -0.07 0.00 -1.04 0.00 0.00 56.93 55.55 2yu6 s PHE 65 Cb 0.00 -1.10 0.05 0.00 -1.21 0.00 0.00 43.02 40.76 2yu6 s PHE 65 CO 0.00 0.66 0.28 -1.12 -1.34 0.00 0.00 175.22 173.70 2yu6 s SER 66 N -3.52 -0.32 -0.14 1.98 0.01 -0.54 -3.29 113.70 107.87 2yu6 s SER 66 Ca 0.30 0.60 -0.26 0.00 1.31 0.00 0.00 55.95 57.91 2yu6 s SER 66 Cb -0.06 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.65 2yu6 s SER 66 CO 0.17 -0.16 0.84 0.00 0.41 0.00 0.00 173.24 174.50 2yu6 s ARG 67 N 1.15 4.34 0.19 12.44 1.70 0.26 -1.54 118.95 137.49 2yu6 s ARG 67 Ca -0.08 1.05 -0.33 0.00 -0.47 0.00 0.00 55.73 55.90 2yu6 s ARG 67 Cb -0.09 -3.55 -0.14 0.00 -0.57 0.00 0.00 34.95 30.60 2yu6 s ARG 67 CO -0.08 -0.27 1.48 -0.12 -1.08 0.00 0.00 175.30 175.23 2yu6 n MET 68 N 4.99 2.02 -0.05 3.89 0.00 0.19 -0.50 117.12 127.64 2yu6 n MET 68 Ca 0.04 0.72 -0.05 0.00 -0.00 0.00 0.00 57.70 58.42 2yu6 n MET 68 Cb 0.49 -2.43 -0.10 0.00 0.00 0.00 0.00 33.22 31.19 2yu6 n MET 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2yu6 n SER 69 N 2.77 2.05 -4.24 6.12 2.88 -1.24 -4.53 113.62 117.43 2yu6 n SER 69 Ca 0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 2yu6 n SER 69 Cb 0.29 0.87 -0.10 0.00 -0.75 0.00 0.00 64.21 64.52 2yu6 n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 70 N -4.37 1.31 0.88 -3.46 0.15 -1.26 -5.02 113.70 101.93 2yu6 s SER 70 Ca -0.06 -1.14 -0.11 0.00 0.70 0.00 0.00 55.95 55.34 2yu6 s SER 70 Cb 0.04 0.09 0.17 0.00 -1.71 0.00 0.00 66.02 64.61 2yu6 s SER 70 CO 0.49 -0.53 1.22 -1.83 1.20 0.00 0.00 173.24 173.80 2yu6 s GLU 71 N -3.88 1.03 -0.19 5.44 -1.05 -1.26 -4.31 118.70 114.48 2yu6 s GLU 71 Ca 0.22 -0.56 -0.13 0.00 -0.15 0.00 0.00 54.97 54.35 2yu6 s GLU 71 Cb 0.06 -1.99 -0.05 0.00 -0.44 0.00 0.00 34.13 31.71 2yu6 s GLU 71 CO 0.03 -2.08 0.27 0.42 0.95 0.00 0.00 175.26 174.85 2yu6 s ILE 72 N -3.66 5.30 0.00 1.83 1.01 -1.26 -4.49 121.20 119.93 2yu6 s ILE 72 Ca 0.71 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2yu6 s ILE 72 Cb -0.05 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2yu6 s ILE 72 CO 0.50 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.41 2yu6 n GLY 73 N 3.69 -0.44 0.27 6.18 0.00 -1.23 -4.97 105.19 108.68 2yu6 n GLY 73 Ca -0.12 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.14 2yu6 n GLY 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yu6 n ARG 74 N 0.00 -0.12 -1.55 1.61 3.00 -1.26 -4.24 116.66 114.10 2yu6 n ARG 74 Ca 0.00 1.11 -0.59 0.00 -0.00 0.00 0.00 57.85 58.37 2yu6 n ARG 74 Cb 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 32.46 30.73 2yu6 n ARG 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2yu6 n GLU 75 N -5.10 0.16 -4.14 -0.14 -0.58 -1.26 -4.91 120.64 104.67 2yu6 n GLU 75 Ca 0.09 0.06 -0.16 0.00 -0.42 0.00 0.00 57.16 56.73 2yu6 n GLU 75 Cb 0.32 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yu6 s LYS 76 N 0.49 1.84 0.18 3.49 -0.14 -1.26 -2.65 119.74 121.70 2yu6 s LYS 76 Ca 0.92 -1.81 -0.22 0.00 -1.36 0.00 0.00 55.97 53.49 2yu6 s LYS 76 Cb -1.26 0.41 0.06 0.00 -1.68 0.00 0.00 37.83 35.36 2yu6 s LYS 76 CO 0.59 -0.74 0.62 0.45 -0.76 0.00 0.00 175.35 175.51 2yu6 s SER 77 N -3.27 -0.50 -0.22 2.83 0.15 -1.26 -4.99 113.70 106.44 2yu6 s SER 77 Ca 0.33 -0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.70 2yu6 s SER 77 Cb 0.01 0.62 -0.09 0.00 -1.71 0.00 0.00 66.02 64.85 2yu6 s SER 77 CO 0.22 -1.04 -0.34 0.00 1.20 0.00 0.00 173.24 173.28 2yu6 n GLN 78 N -0.39 0.53 -2.03 5.44 6.02 -1.26 -4.95 117.38 120.74 2yu6 n GLN 78 Ca -0.14 0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 2yu6 n GLN 78 Cb 0.64 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.46 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2yu6 s ASP 79 N -6.68 6.69 -0.29 1.08 1.11 -1.26 -4.98 116.67 112.34 2yu6 s ASP 79 Ca -0.32 2.41 -0.22 0.00 0.18 0.00 0.00 52.55 54.60 2yu6 s ASP 79 Cb 0.09 -2.57 0.14 0.00 1.07 0.00 0.00 42.92 41.65 2yu6 s ASP 79 CO 0.44 -0.80 1.09 0.26 1.18 0.00 0.00 175.17 177.34 2yu6 s TRP 80 N 1.99 -0.42 0.16 4.23 0.23 -1.26 -5.04 118.94 118.83 2yu6 s TRP 80 Ca 0.69 0.95 -0.10 0.00 -2.03 0.00 0.00 56.10 55.62 2yu6 s TRP 80 Cb -0.38 0.36 0.01 0.00 0.03 0.00 0.00 33.47 33.49 2yu6 s TRP 80 CO 0.30 -0.20 1.56 0.78 0.96 0.00 0.00 176.95 180.35 2yu6 h GLY 81 N 4.59 1.10 -6.05 0.98 0.00 -1.93 -3.42 103.07 98.34 2yu6 h GLY 81 Ca -0.28 -0.95 -0.64 0.00 0.00 0.00 0.00 47.33 45.46 2yu6 h GLY 81 CO 0.15 0.86 -0.66 -0.56 0.00 0.00 0.00 176.54 176.33 2yu6 s SER 82 N -6.69 4.82 0.18 0.19 0.01 -1.26 -4.99 113.70 105.95 2yu6 s SER 82 Ca -0.11 -0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.06 2yu6 s SER 82 Cb 0.12 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.57 2yu6 s SER 82 CO 0.87 0.14 1.40 0.00 0.41 0.00 0.00 173.24 176.06 2yu6 h ALA 83 N 6.91 0.58 -0.31 1.44 0.00 -2.01 -3.40 119.26 122.48 2yu6 h ALA 83 Ca -0.33 -0.75 -0.33 0.00 0.00 0.00 0.00 54.91 53.50 2yu6 h ALA 83 Cb 1.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2yu6 h ALA 83 CO 0.63 1.00 1.09 0.41 0.00 0.00 0.00 179.25 182.37 2yu6 n GLY 84 N 0.88 0.96 3.20 0.00 0.00 -1.26 -4.84 105.19 104.14 2yu6 n GLY 84 Ca -0.02 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu6 s LEU 85 N 10.23 1.65 -0.42 0.99 1.43 -1.26 -4.92 118.68 126.38 2yu6 s LEU 85 Ca 0.69 -1.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2yu6 s LEU 85 Cb 0.01 0.21 0.20 0.00 0.03 0.00 0.00 46.19 46.65 2yu6 s LEU 85 CO 0.15 -0.73 0.92 -0.83 0.23 0.00 0.00 176.35 176.09 2yu6 s GLY 86 N -3.14 -1.59 0.00 -3.19 0.00 -1.26 -5.07 107.32 93.06 2yu6 s GLY 86 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2yu6 s GLY 86 CO 0.07 4.00 0.00 0.61 0.00 0.00 0.00 173.10 177.78 2yu6 n GLY 87 N 2.90 2.46 3.72 0.20 0.00 -1.26 -4.73 105.19 108.47 2yu6 n GLY 87 Ca 0.14 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2yu6 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yu6 s VAL 88 N 0.00 4.27 0.15 1.61 1.01 -1.08 -4.36 120.40 122.00 2yu6 s VAL 88 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2yu6 s VAL 88 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2yu6 s VAL 88 CO 0.00 0.26 0.06 0.72 0.00 0.00 0.00 175.10 176.14 2yu6 s PHE 89 N -1.22 0.98 0.64 5.22 -0.71 -0.86 -3.49 117.98 118.54 2yu6 s PHE 89 Ca 0.23 -1.22 -0.07 0.00 -1.04 0.00 0.00 56.93 54.83 2yu6 s PHE 89 Cb -0.12 -0.54 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 2yu6 s PHE 89 CO 0.15 -0.48 0.96 0.15 -1.34 0.00 0.00 175.22 174.67 2yu6 s LYS 90 N -4.04 2.78 -0.18 1.99 1.02 -1.26 0.06 119.74 120.11 2yu6 s LYS 90 Ca 0.27 0.06 -0.16 0.00 0.02 0.00 0.00 55.97 56.16 2yu6 s LYS 90 Cb 0.07 -2.20 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 2yu6 s LYS 90 CO 0.04 -0.87 0.48 0.14 -0.92 0.00 0.00 175.35 174.22 2yu6 s VAL 91 N -3.12 -0.00 -0.37 3.17 -7.23 -1.00 -3.71 120.40 108.14 2yu6 s VAL 91 Ca 0.56 0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 60.59 2yu6 s VAL 91 Cb -0.11 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.16 2yu6 s VAL 91 CO 0.46 0.00 0.36 -0.70 -0.31 0.00 0.00 175.10 174.92 2yu6 s GLU 92 N 0.43 3.35 -0.02 4.82 2.56 0.34 -4.74 118.70 125.44 2yu6 s GLU 92 Ca -0.01 -0.63 -0.28 0.00 0.00 0.00 0.00 54.97 54.05 2yu6 s GLU 92 Cb -0.04 -3.87 -0.03 0.00 2.00 0.00 0.00 34.13 32.19 2yu6 s GLU 92 CO -0.02 -0.63 0.90 -1.58 -0.56 0.00 0.00 175.26 173.37 2yu6 s TRP 93 N 1.96 3.63 -0.23 5.30 0.52 -1.26 -0.57 118.94 128.28 2yu6 s TRP 93 Ca 0.10 1.57 -0.14 0.00 0.02 0.00 0.00 56.10 57.65 2yu6 s TRP 93 Cb -0.17 -3.03 -0.10 0.00 -1.15 0.00 0.00 33.47 29.02 2yu6 s TRP 93 CO 0.12 0.02 -0.33 -0.89 0.02 0.00 0.00 176.95 175.88 2yu6 n ILE 94 N 3.87 1.44 -4.24 2.03 -0.00 -1.21 -4.99 119.36 116.27 2yu6 n ILE 94 Ca 0.04 -0.23 -0.20 0.00 -0.00 0.00 0.00 62.75 62.36 2yu6 n ILE 94 Cb 0.51 -1.97 -0.16 0.00 -0.00 0.00 0.00 39.64 38.02 2yu6 n ILE 94 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2yu6 s ARG 95 N -2.57 0.91 -0.17 0.38 1.81 -1.26 -5.01 118.95 113.04 2yu6 s ARG 95 Ca -0.34 -0.16 0.16 0.00 -1.72 0.00 0.00 55.73 53.67 2yu6 s ARG 95 Cb 0.11 -0.87 0.68 0.00 -0.45 0.00 0.00 34.95 34.42 2yu6 s ARG 95 CO 0.44 -0.04 1.59 1.63 -0.68 0.00 0.00 175.30 178.24 2yu6 n LYS 96 N 3.89 3.89 -3.09 3.54 5.02 -1.26 -4.12 118.16 126.03 2yu6 n LYS 96 Ca -0.24 -2.93 -0.39 0.00 -2.02 0.00 0.00 58.31 52.73 2yu6 n LYS 96 Cb 0.51 -1.98 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -2.42 4.42 -0.20 1.97 2.56 -1.26 -4.92 118.70 118.85 2yu6 s GLU 97 Ca 0.48 0.96 -0.27 0.00 0.00 0.00 0.00 54.97 56.14 2yu6 s GLU 97 Cb 0.35 -3.30 -0.00 0.00 2.00 0.00 0.00 34.13 33.18 2yu6 s GLU 97 CO 0.16 0.47 0.95 -1.12 -0.56 0.00 0.00 175.26 175.16 2yu6 s SER 98 N -0.66 7.04 -0.21 -1.70 0.01 -1.26 -4.41 113.70 112.52 2yu6 s SER 98 Ca 0.34 1.29 -0.06 0.00 1.31 0.00 0.00 55.95 58.83 2yu6 s SER 98 Cb -0.21 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 2yu6 s SER 98 CO 0.22 -0.54 0.04 -0.22 0.41 0.00 0.00 173.24 173.14 2yu6 s LEU 99 N 2.71 3.48 0.21 2.44 2.96 -1.15 -4.81 118.68 124.53 2yu6 s LEU 99 Ca 0.42 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 2yu6 s LEU 99 Cb -0.16 -1.90 -0.09 0.00 0.50 0.00 0.00 46.19 44.55 2yu6 s LEU 99 CO 0.10 0.07 1.29 -2.16 -1.32 0.00 0.00 176.35 174.33 2yu6 s PRO 100 N 0.95 4.40 0.33 0.98 0.04 -1.26 -0.08 135.00 140.37 2yu6 s PRO 100 Ca 0.03 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.22 2yu6 s PRO 100 Cb -0.14 -3.18 0.89 0.00 0.04 0.00 0.00 34.50 32.10 2yu6 s PRO 100 CO 0.02 -0.21 1.76 0.74 0.04 0.00 0.00 177.00 179.35 2yu6 h PHE 101 N 5.09 0.94 -1.71 0.56 0.04 -1.56 0.35 116.94 120.66 2yu6 h PHE 101 Ca -0.45 0.03 0.49 0.00 2.80 0.00 0.00 57.97 60.84 2yu6 h PHE 101 Cb 1.22 -0.28 -0.07 0.00 2.20 0.00 0.00 35.95 39.02 2yu6 h PHE 101 CO 0.61 0.13 1.37 0.37 -0.60 0.00 0.00 178.31 180.19 2yu6 h GLN 102 N 0.60 0.00 -0.03 1.51 5.75 -1.91 1.34 115.11 122.37 2yu6 h GLN 102 Ca 0.60 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 59.00 2yu6 h GLN 102 Cb 1.16 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.72 2yu6 h GLN 102 CO -0.39 0.00 -0.38 0.74 -2.65 0.00 0.00 178.83 176.15 2yu6 h PHE 103 N 0.00 0.45 -0.45 3.99 -1.00 -1.30 -3.21 116.94 115.42 2yu6 h PHE 103 Ca 0.81 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 61.37 2yu6 h PHE 103 Cb 3.54 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 43.04 2yu6 h PHE 103 CO 0.00 0.99 0.00 0.00 -1.61 0.00 0.00 178.31 177.69 2yu6 n ALA 104 N -2.54 2.53 -0.33 2.45 0.00 0.41 -4.30 120.51 118.74 2yu6 n ALA 104 Ca -0.09 -0.85 0.07 0.00 0.00 0.00 0.00 53.44 52.57 2yu6 n ALA 104 Cb 0.55 -0.98 0.26 0.00 0.00 0.00 0.00 19.45 19.28 2yu6 n ALA 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2yu6 h HIS 105 N 2.66 1.07 -0.03 0.00 6.17 -0.10 -1.24 115.15 123.68 2yu6 h HIS 105 Ca 0.00 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 60.91 2yu6 h HIS 105 Cb 0.70 -0.34 -0.00 0.00 2.52 0.00 0.00 27.41 30.29 2yu6 h HIS 105 CO 0.35 0.47 -0.83 1.12 0.71 0.00 0.00 177.93 179.76 2yu6 h HIS 106 N 0.97 0.49 -3.77 5.26 2.07 -1.82 -3.45 115.15 114.91 2yu6 h HIS 106 Ca 0.45 -0.24 -0.53 0.00 -2.85 0.00 0.00 60.37 57.20 2yu6 h HIS 106 Cb 0.41 -0.07 0.08 0.00 2.57 0.00 0.00 27.41 30.40 2yu6 h HIS 106 CO -0.00 1.03 0.72 -0.51 -3.07 0.00 0.00 177.93 176.10 2yu6 s LEU 107 N -7.75 4.38 0.35 6.12 1.43 -0.47 -5.01 118.68 117.73 2yu6 s LEU 107 Ca -0.05 2.81 0.06 0.00 -1.03 0.00 0.00 54.13 55.92 2yu6 s LEU 107 Cb 0.10 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2yu6 s LEU 107 CO 0.84 -0.69 0.22 -0.76 0.23 0.00 0.00 176.35 176.19 2yu6 s LEU 108 N -1.54 1.81 -0.31 1.79 1.43 -1.26 -2.95 118.68 117.65 2yu6 s LEU 108 Ca 0.53 -1.73 0.02 0.00 -1.03 0.00 0.00 54.13 51.93 2yu6 s LEU 108 Cb -0.43 0.33 0.09 0.00 0.03 0.00 0.00 46.19 46.22 2yu6 s LEU 108 CO 0.54 -1.02 0.03 0.21 0.23 0.00 0.00 176.35 176.34 2yu6 s ASN 109 N -3.45 4.42 0.00 2.29 3.04 0.19 -4.46 114.94 116.98 2yu6 s ASN 109 Ca 0.35 -1.81 0.15 0.00 0.04 0.00 0.00 52.86 51.59 2yu6 s ASN 109 Cb 0.02 -1.38 0.86 0.00 -1.54 0.00 0.00 41.25 39.21 2yu6 s ASN 109 CO 0.23 -0.35 1.37 -0.81 -3.04 0.00 0.00 177.10 174.50 2yu6 n PRO 110 N 4.47 0.37 0.10 0.43 -0.04 -1.26 -1.47 135.00 137.60 2yu6 n PRO 110 Ca -0.02 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 110 Cb 0.42 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 2yu6 n PRO 110 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2yu6 h TRP 111 N 0.00 0.00 -2.35 0.54 4.06 -1.93 -3.40 115.95 112.87 2yu6 h TRP 111 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 2yu6 h TRP 111 Cb 0.06 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.82 2yu6 h TRP 111 CO 0.00 0.00 -0.87 -1.71 -3.56 0.00 0.00 178.44 172.30 2yu6 n ASN 112 N -2.58 1.14 -3.84 -3.49 5.15 -0.90 -4.91 115.26 105.83 2yu6 n ASN 112 Ca 0.01 -2.82 -0.24 0.00 -0.60 0.00 0.00 54.58 50.92 2yu6 n ASN 112 Cb 0.53 -0.64 0.01 0.00 -0.53 0.00 0.00 39.78 39.15 2yu6 n ASN 112 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2yu6 n ASP 113 N 1.86 -1.15 -3.50 1.20 8.00 -1.26 -1.16 116.55 120.55 2yu6 n ASP 113 Ca 0.25 -0.90 -0.26 0.00 0.71 0.00 0.00 54.79 54.59 2yu6 n ASP 113 Cb 0.46 -3.58 -0.05 0.00 -0.02 0.00 0.00 41.12 37.93 2yu6 n ASP 113 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2yu6 n ASN 114 N -3.00 -1.30 -4.76 -2.24 0.23 -0.54 -4.83 115.26 98.83 2yu6 n ASN 114 Ca -0.27 -0.68 -0.40 0.00 -0.53 0.00 0.00 54.58 52.71 2yu6 n ASN 114 Cb 0.66 -1.16 -0.05 0.00 -2.08 0.00 0.00 39.78 37.15 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2yu6 s LYS 115 N -5.50 4.76 0.15 -3.83 -0.14 -0.30 -4.33 119.74 110.54 2yu6 s LYS 115 Ca 0.51 1.58 -0.33 0.00 -1.36 0.00 0.00 55.97 56.38 2yu6 s LYS 115 Cb -0.30 -3.21 -0.17 0.00 -1.68 0.00 0.00 37.83 32.48 2yu6 s LYS 115 CO 0.63 0.40 0.96 1.17 -0.76 0.00 0.00 175.35 177.74 2yu6 n LYS 116 N 1.30 0.61 -0.20 1.68 4.81 -1.26 0.57 118.16 125.67 2yu6 n LYS 116 Ca -0.01 0.22 -0.05 0.00 -0.87 0.00 0.00 58.31 57.59 2yu6 n LYS 116 Cb 0.47 -1.57 -0.05 0.00 0.02 0.00 0.00 35.03 33.90 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yu6 n VAL 117 N 0.99 -0.32 -0.23 3.15 0.31 -1.15 0.77 118.33 121.85 2yu6 n VAL 117 Ca 0.16 1.80 0.22 0.00 -0.01 0.00 0.00 64.34 66.52 2yu6 n VAL 117 Cb 0.22 -2.29 0.41 0.00 -0.91 0.00 0.00 33.84 31.27 2yu6 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yu6 n GLN 118 N -4.06 -0.04 -1.15 5.55 10.64 -1.26 -2.90 117.38 124.15 2yu6 n GLN 118 Ca 0.01 0.99 -0.39 0.00 -1.83 0.00 0.00 57.00 55.78 2yu6 n GLN 118 Cb 0.12 -1.77 -0.08 0.00 -0.86 0.00 0.00 30.24 27.65 2yu6 n GLN 118 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2yu6 n ILE 119 N -4.64 1.20 -3.61 -0.39 5.41 0.23 -4.76 119.36 112.79 2yu6 n ILE 119 Ca 0.27 -1.10 -0.16 0.00 1.00 0.00 0.00 62.75 62.76 2yu6 n ILE 119 Cb 0.90 -2.18 -0.14 0.00 -0.71 0.00 0.00 39.64 37.51 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2yu6 s SER 120 N 6.06 0.74 0.47 4.38 0.01 -1.14 -4.84 113.70 119.37 2yu6 s SER 120 Ca 0.64 0.30 -0.22 0.00 1.31 0.00 0.00 55.95 57.98 2yu6 s SER 120 Cb 0.11 0.50 -0.08 0.00 0.21 0.00 0.00 66.02 66.76 2yu6 s SER 120 CO 0.19 -0.27 1.09 -0.13 0.41 0.00 0.00 173.24 174.53 2yu6 s ARG 121 N 2.36 3.79 -0.48 12.44 1.81 -1.26 -4.80 118.95 132.82 2yu6 s ARG 121 Ca 0.03 1.55 -0.45 0.00 -1.72 0.00 0.00 55.73 55.14 2yu6 s ARG 121 Cb -0.13 -2.26 -0.19 0.00 -0.45 0.00 0.00 34.95 31.92 2yu6 s ARG 121 CO -0.09 -0.47 1.79 -0.40 -0.68 0.00 0.00 175.30 175.45 2yu6 n ASP 122 N -0.69 1.19 -0.25 0.23 5.75 -1.26 -0.87 116.55 120.64 2yu6 n ASP 122 Ca 0.08 1.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.87 2yu6 n ASP 122 Cb 0.50 -0.92 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 2yu6 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yu6 n GLY 123 N 5.15 0.95 3.75 6.12 0.00 -0.02 -4.93 105.19 116.21 2yu6 n GLY 123 Ca 0.38 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -3.33 3.48 0.30 1.61 2.00 -0.05 -4.90 119.66 118.77 2yu6 s GLN 124 Ca 0.00 -0.27 -0.29 0.00 -2.00 0.00 0.00 55.36 52.79 2yu6 s GLN 124 Cb 0.00 -3.09 -0.10 0.00 0.80 0.00 0.00 33.01 30.62 2yu6 s GLN 124 CO 0.00 0.60 1.33 -1.21 -0.50 0.00 0.00 175.29 175.52 2yu6 s GLU 125 N -0.55 4.34 -0.10 1.67 2.02 -1.26 -3.09 118.70 121.73 2yu6 s GLU 125 Ca 0.11 2.21 0.01 0.00 0.02 0.00 0.00 54.97 57.32 2yu6 s GLU 125 Cb -0.12 -3.09 0.02 0.00 0.10 0.00 0.00 34.13 31.04 2yu6 s GLU 125 CO 0.02 -0.24 -0.11 -1.17 0.02 0.00 0.00 175.26 173.78 2yu6 s LEU 126 N -1.29 1.48 0.31 1.80 2.96 -1.15 -4.94 118.68 117.86 2yu6 s LEU 126 Ca 0.52 -0.34 -0.28 0.00 -0.22 0.00 0.00 54.13 53.81 2yu6 s LEU 126 Cb -0.40 -0.90 -0.13 0.00 0.50 0.00 0.00 46.19 45.26 2yu6 s LEU 126 CO 0.49 -0.04 1.22 1.21 -1.32 0.00 0.00 176.35 177.92 2yu6 n GLU 127 N 4.39 1.90 0.00 1.98 2.13 -1.26 -4.17 120.64 125.61 2yu6 n GLU 127 Ca -0.18 0.67 0.07 0.00 0.66 0.00 0.00 57.16 58.38 2yu6 n GLU 127 Cb 0.51 -2.20 0.41 0.00 0.27 0.00 0.00 31.44 30.43 2yu6 n GLU 127 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2yu6 n PRO 128 N 0.76 0.32 0.02 5.31 -0.04 -1.26 -1.02 135.00 139.09 2yu6 n PRO 128 Ca 0.07 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 2yu6 n PRO 128 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2yu6 n PRO 128 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2yu6 h GLN 129 N 0.00 0.28 0.00 0.54 4.15 -1.99 -3.32 115.11 114.77 2yu6 h GLN 129 Ca 0.00 -0.48 -0.14 0.00 0.77 0.00 0.00 58.65 58.80 2yu6 h GLN 129 Cb 0.08 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2yu6 h GLN 129 CO 0.00 1.23 -1.60 1.33 -1.93 0.00 0.00 178.83 177.86 2yu6 n VAL 130 N -3.59 0.90 0.23 2.39 0.24 -1.10 -3.86 118.33 113.54 2yu6 n VAL 130 Ca -0.30 -0.66 0.11 0.00 -2.04 0.00 0.00 64.34 61.45 2yu6 n VAL 130 Cb 1.03 -0.50 0.45 0.00 -1.47 0.00 0.00 33.84 33.35 2yu6 n VAL 130 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2yu6 h GLY 131 N 3.86 0.00 0.54 7.63 0.00 -1.27 -2.29 103.07 111.54 2yu6 h GLY 131 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.95 2yu6 h GLY 131 CO 0.03 0.00 -1.05 1.05 0.00 0.00 0.00 176.54 176.57 2yu6 h GLU 132 N 0.00 0.24 0.00 4.80 4.11 -1.71 -3.29 114.58 118.73 2yu6 h GLU 132 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2yu6 h GLU 132 Cb 0.76 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2yu6 h GLU 132 CO 0.03 1.19 0.00 0.00 0.07 0.00 0.00 179.01 180.30 2yu6 n GLN 133 N -4.09 0.03 0.05 1.06 10.64 -1.22 -2.66 117.38 121.20 2yu6 n GLN 133 Ca -0.20 0.19 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 2yu6 n GLN 133 Cb 0.83 -1.54 -0.13 0.00 -0.86 0.00 0.00 30.24 28.54 2yu6 n GLN 133 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2yu6 h LEU 134 N 0.00 0.11 0.02 2.61 5.85 -1.49 -3.35 115.31 119.06 2yu6 h LEU 134 Ca 0.00 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2yu6 h LEU 134 Cb 0.34 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2yu6 h LEU 134 CO 0.00 1.11 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.95 2yu6 h LEU 135 N 0.02 0.12 -1.06 2.25 3.38 -1.57 -3.24 115.31 115.21 2yu6 h LEU 135 Ca -0.10 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.00 2yu6 h LEU 135 Cb 1.87 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 2yu6 h LEU 135 CO 0.14 1.03 0.73 0.06 0.09 0.00 0.00 178.44 180.48 2yu6 h GLN 136 N -0.76 0.00 -0.62 1.13 -0.00 -1.68 0.23 115.11 113.41 2yu6 h GLN 136 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.66 2yu6 h GLN 136 Cb 1.08 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.51 2yu6 h GLN 136 CO 0.04 0.00 0.37 -0.07 -0.00 0.00 0.00 178.83 179.16 2yu6 h LEU 137 N 0.00 0.58 -1.94 0.06 3.38 -1.68 -1.28 115.31 114.43 2yu6 h LEU 137 Ca 0.08 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.35 2yu6 h LEU 137 Cb 1.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2yu6 h LEU 137 CO -0.00 0.40 0.72 -0.50 0.09 0.00 0.00 178.44 179.15 2yu6 h TRP 138 N 0.71 0.06 -0.01 1.13 6.55 -0.74 0.70 115.95 124.35 2yu6 h TRP 138 Ca 0.26 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 60.01 2yu6 h TRP 138 Cb 0.08 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 2yu6 h TRP 138 CO -0.06 0.01 -0.44 0.93 -1.05 0.00 0.00 178.44 177.83 2yu6 h GLU 139 N 0.04 0.03 0.00 0.49 5.08 -1.38 -2.64 114.58 116.20 2yu6 h GLU 139 Ca 0.49 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.77 2yu6 h GLU 139 Cb 1.89 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2yu6 h GLU 139 CO -0.03 0.47 -0.30 0.00 -1.00 0.00 0.00 179.01 178.15 2yu6 h ARG 140 N 0.03 0.00 0.00 2.33 3.08 0.39 -3.53 114.38 116.67 2yu6 h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2yu6 h ARG 140 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2yu6 h ARG 140 CO 0.06 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.54