#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 s SER 2 N 0.00 3.53 0.70 1.61 0.01 -1.26 -5.12 113.70 113.17 2yu6 s SER 2 Ca 0.00 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 2yu6 s SER 2 Cb 0.00 -1.54 0.08 0.00 0.21 0.00 0.00 66.02 64.77 2yu6 s SER 2 CO 0.00 -0.04 0.99 -0.94 0.41 0.00 0.00 173.24 173.66 2yu6 s SER 3 N 1.30 4.68 -0.30 2.44 1.04 -1.26 -5.11 113.70 116.49 2yu6 s SER 3 Ca 0.03 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 2yu6 s SER 3 Cb -0.14 -0.79 0.18 0.00 0.10 0.00 0.00 66.02 65.36 2yu6 s SER 3 CO -0.10 -1.65 1.18 -0.83 0.98 0.00 0.00 173.24 172.82 2yu6 s GLY 4 N -4.57 0.01 -0.22 7.32 0.00 -1.26 -5.15 107.32 103.45 2yu6 s GLY 4 Ca 0.62 3.29 -0.03 0.00 0.00 0.00 0.00 44.72 48.59 2yu6 s GLY 4 CO 0.44 3.57 -0.05 -0.45 0.00 0.00 0.00 173.10 176.61 2yu6 s SER 5 N 2.49 4.24 -0.16 1.64 0.15 -1.26 -4.84 113.70 115.95 2yu6 s SER 5 Ca -0.03 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.13 2yu6 s SER 5 Cb -0.05 -1.72 -0.09 0.00 -1.71 0.00 0.00 66.02 62.45 2yu6 s SER 5 CO -0.13 -0.03 -0.18 -0.24 1.20 0.00 0.00 173.24 173.85 2yu6 n SER 6 N 4.78 1.96 0.00 5.45 2.88 -1.26 -5.10 113.62 122.32 2yu6 n SER 6 Ca -0.18 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2yu6 n SER 6 Cb 0.50 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2yu6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 7 N 2.33 0.68 3.84 0.46 0.00 -1.26 -5.07 105.19 106.17 2yu6 n GLY 7 Ca -0.31 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.92 4.42 0.52 1.61 0.11 -1.26 -3.86 120.40 120.03 2yu6 s VAL 8 Ca 0.00 1.14 0.09 0.00 -2.93 0.00 0.00 61.98 60.27 2yu6 s VAL 8 Cb 0.00 -3.67 0.05 0.00 -1.53 0.00 0.00 36.38 31.23 2yu6 s VAL 8 CO 0.00 -0.69 0.65 -0.13 -3.33 0.00 0.00 175.10 171.60 2yu6 s ARG 9 N -4.14 2.43 -0.03 1.54 1.81 -1.03 -4.86 118.95 114.67 2yu6 s ARG 9 Ca 0.59 -1.60 -0.01 0.00 -1.72 0.00 0.00 55.73 52.99 2yu6 s ARG 9 Cb -0.11 -2.57 0.02 0.00 -0.45 0.00 0.00 34.95 31.84 2yu6 s ARG 9 CO 0.34 -0.64 0.06 0.71 -0.68 0.00 0.00 175.30 175.08 2yu6 s TYR 10 N -2.60 -0.04 0.16 -0.53 1.51 -1.25 -1.14 117.35 113.47 2yu6 s TYR 10 Ca 0.55 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.80 2yu6 s TYR 10 Cb -0.06 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 2yu6 s TYR 10 CO 0.34 -0.07 0.05 -0.06 -1.11 0.00 0.00 175.55 174.69 2yu6 s PHE 11 N 0.64 1.07 -0.17 2.71 0.40 -0.11 0.62 117.98 123.14 2yu6 s PHE 11 Ca -0.05 -1.17 0.01 0.00 -0.60 0.00 0.00 56.93 55.13 2yu6 s PHE 11 Cb -0.07 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.87 2yu6 s PHE 11 CO -0.02 -0.40 -0.20 0.42 0.70 0.00 0.00 175.22 175.71 2yu6 s ILE 12 N -3.89 2.10 -0.24 0.64 -1.09 -0.99 -0.60 121.20 117.13 2yu6 s ILE 12 Ca 0.26 -0.94 -0.04 0.00 -2.23 0.00 0.00 60.65 57.71 2yu6 s ILE 12 Cb 0.07 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 2yu6 s ILE 12 CO 0.04 0.54 -0.03 -0.04 -1.23 0.00 0.00 174.94 174.23 2yu6 s MET 13 N 1.11 3.17 -0.20 2.79 -1.94 0.65 -1.51 119.30 123.38 2yu6 s MET 13 Ca 0.00 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.11 2yu6 s MET 13 Cb -0.14 -3.06 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2yu6 s MET 13 CO -0.09 -0.30 0.16 0.15 -0.01 0.00 0.00 175.02 174.94 2yu6 s LYS 14 N 1.44 4.19 0.15 2.03 -0.14 -1.26 -0.68 119.74 125.46 2yu6 s LYS 14 Ca 0.04 -0.17 0.06 0.00 -1.36 0.00 0.00 55.97 54.53 2yu6 s LYS 14 Cb -0.15 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2yu6 s LYS 14 CO -0.03 0.25 0.04 0.45 -0.76 0.00 0.00 175.35 175.30 2yu6 s SER 15 N 0.48 5.05 -0.09 2.83 0.15 -1.11 -4.84 113.70 116.18 2yu6 s SER 15 Ca 0.09 -0.26 -0.27 0.00 0.70 0.00 0.00 55.95 56.22 2yu6 s SER 15 Cb -0.12 -1.19 -0.25 0.00 -1.71 0.00 0.00 66.02 62.75 2yu6 s SER 15 CO -0.00 0.11 0.91 0.28 1.20 0.00 0.00 173.24 175.74 2yu6 h SER 16 N 2.85 0.11 -4.06 5.45 0.02 -1.97 -2.27 113.55 113.68 2yu6 h SER 16 Ca -0.47 -0.88 -0.30 0.00 -0.84 0.00 0.00 61.79 59.30 2yu6 h SER 16 Cb 1.19 -0.04 -0.27 0.00 0.14 0.00 0.00 62.40 63.43 2yu6 h SER 16 CO 0.60 0.98 -0.74 0.21 -1.14 0.00 0.00 176.83 176.74 2yu6 s ASN 17 N -6.27 0.55 0.28 3.07 3.84 -1.26 -4.48 114.94 110.67 2yu6 s ASN 17 Ca -0.17 -0.17 -0.03 0.00 0.21 0.00 0.00 52.86 52.70 2yu6 s ASN 17 Cb -0.01 -0.04 0.58 0.00 -0.55 0.00 0.00 41.25 41.23 2yu6 s ASN 17 CO 0.72 -0.00 1.60 0.25 -2.79 0.00 0.00 177.10 176.88 2yu6 h LEU 18 N 5.74 -0.44 -0.73 3.21 7.12 -1.96 0.26 115.31 128.52 2yu6 h LEU 18 Ca -0.29 0.24 0.11 0.00 0.13 0.00 0.00 57.88 58.07 2yu6 h LEU 18 Cb 1.20 0.42 -0.12 0.00 -0.53 0.00 0.00 40.66 41.63 2yu6 h LEU 18 CO 0.48 -0.26 -0.41 -0.09 -0.13 0.00 0.00 178.44 178.03 2yu6 h ARG 19 N 0.06 -0.13 -1.16 1.25 9.65 -2.00 0.68 114.38 122.74 2yu6 h ARG 19 Ca 0.50 0.01 0.33 0.00 -1.10 0.00 0.00 59.98 59.72 2yu6 h ARG 19 Cb 0.95 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 29.46 2yu6 h ARG 19 CO -0.80 -0.09 0.76 -0.91 2.80 0.00 0.00 179.97 181.73 2yu6 h ASN 20 N -0.13 0.32 -0.13 -3.80 2.35 -1.36 0.39 115.58 113.22 2yu6 h ASN 20 Ca 0.23 0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.87 2yu6 h ASN 20 Cb 0.56 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.98 2yu6 h ASN 20 CO -0.79 -0.01 -0.70 0.25 -1.65 0.00 0.00 177.43 174.53 2yu6 h LEU 21 N 0.24 0.83 -1.17 1.61 5.85 0.34 -3.21 115.31 119.81 2yu6 h LEU 21 Ca 0.67 -0.64 0.33 0.00 0.84 0.00 0.00 57.88 59.08 2yu6 h LEU 21 Cb 1.98 -0.25 -0.13 0.00 0.37 0.00 0.00 40.66 42.63 2yu6 h LEU 21 CO -0.30 1.34 0.65 -0.33 -0.34 0.00 0.00 178.44 179.47 2yu6 h GLU 22 N 0.38 0.29 -0.93 1.25 5.08 0.89 0.64 114.58 122.17 2yu6 h GLU 22 Ca -0.05 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2yu6 h GLU 22 Cb 1.34 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 2yu6 h GLU 22 CO 0.14 0.19 0.59 0.82 -1.00 0.00 0.00 179.01 179.76 2yu6 h ILE 23 N 0.30 0.84 0.00 3.13 5.03 -1.53 0.36 117.51 125.64 2yu6 h ILE 23 Ca 0.72 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 65.19 2yu6 h ILE 23 Cb 1.82 0.01 -0.00 0.00 -3.03 0.00 0.00 36.82 35.62 2yu6 h ILE 23 CO -0.50 0.14 -0.06 -1.28 -0.68 0.00 0.00 178.15 175.77 2yu6 h SER 24 N 0.77 0.00 0.26 1.72 0.87 0.23 0.37 113.55 117.78 2yu6 h SER 24 Ca 0.47 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.69 2yu6 h SER 24 Cb 0.69 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2yu6 h SER 24 CO -0.23 0.06 -1.74 1.56 -0.53 0.00 0.00 176.83 175.94 2yu6 h GLN 25 N 0.00 0.31 0.00 2.24 4.20 -0.28 -2.62 115.11 118.96 2yu6 h GLN 25 Ca -0.00 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.13 2yu6 h GLN 25 Cb 0.64 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2yu6 h GLN 25 CO 0.01 1.20 -0.50 1.96 -0.67 0.00 0.00 178.83 180.83 2yu6 h GLN 26 N 0.09 0.00 -0.15 1.46 4.20 -0.83 -3.38 115.11 116.49 2yu6 h GLN 26 Ca -0.33 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.24 2yu6 h GLN 26 Cb 2.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.83 2yu6 h GLN 26 CO 0.15 0.29 -0.51 0.87 -0.67 0.00 0.00 178.83 178.97 2yu6 h LYS 27 N -1.00 0.41 -0.28 1.46 1.79 -0.48 -3.48 116.57 114.99 2yu6 h LYS 27 Ca -0.07 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2yu6 h LYS 27 Cb 0.59 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2yu6 h LYS 27 CO -0.04 0.82 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 2yu6 n GLY 28 N 0.12 0.71 2.32 3.86 0.00 -0.99 -5.00 105.19 106.21 2yu6 n GLY 28 Ca -0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 2yu6 n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2yu6 n ILE 29 N -3.13 0.00 -3.64 -0.61 -6.64 -1.24 -1.94 119.36 102.16 2yu6 n ILE 29 Ca 0.00 -1.76 -0.04 0.00 -1.77 0.00 0.00 62.75 59.18 2yu6 n ILE 29 Cb 0.43 0.88 -0.06 0.00 -1.44 0.00 0.00 39.64 39.46 2yu6 n ILE 29 CO 0.00 0.00 0.00 0.86 -1.77 0.00 0.00 176.55 175.64 2yu6 s TRP 30 N -2.98 -1.18 -0.35 4.28 -0.00 -0.07 -3.61 118.94 115.01 2yu6 s TRP 30 Ca 0.29 2.19 -0.08 0.00 -0.00 0.00 0.00 56.10 58.50 2yu6 s TRP 30 Cb 0.01 0.71 0.04 0.00 -0.00 0.00 0.00 33.47 34.23 2yu6 s TRP 30 CO 0.20 -0.59 0.15 0.45 -0.00 0.00 0.00 176.95 177.16 2yu6 s SER 31 N 2.24 5.48 0.43 5.86 0.15 -1.26 -3.22 113.70 123.37 2yu6 s SER 31 Ca -0.08 -1.10 0.07 0.00 0.70 0.00 0.00 55.95 55.54 2yu6 s SER 31 Cb -0.08 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 2yu6 s SER 31 CO -0.19 -0.36 0.25 0.28 1.20 0.00 0.00 173.24 174.42 2yu6 s THR 32 N 1.46 2.33 0.39 6.45 -1.32 -1.26 -5.03 115.64 118.65 2yu6 s THR 32 Ca -0.00 -1.59 -0.27 0.00 -1.21 0.00 0.00 61.69 58.62 2yu6 s THR 32 Cb -0.19 -2.92 -0.10 0.00 -1.51 0.00 0.00 72.50 67.77 2yu6 s THR 32 CO 0.04 0.00 1.41 1.07 -2.21 0.00 0.00 174.62 174.93 2yu6 n THR 33 N -1.36 2.26 0.97 5.08 5.66 -1.26 -4.54 114.28 121.09 2yu6 n THR 33 Ca -0.00 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.57 2yu6 n THR 33 Cb 0.64 -1.82 0.45 0.00 -1.55 0.00 0.00 70.33 68.05 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 0.26 0.49 0.02 1.09 -0.04 -1.26 -2.07 135.00 133.48 2yu6 n PRO 34 Ca 0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.49 0.16 0.00 -0.04 0.00 0.00 33.50 32.52 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu6 n SER 35 N -0.99 0.60 -0.73 3.54 2.88 -1.26 -4.03 113.62 113.62 2yu6 n SER 35 Ca 0.11 -0.21 0.05 0.00 -1.33 0.00 0.00 58.87 57.50 2yu6 n SER 35 Cb 0.05 0.39 0.10 0.00 -0.75 0.00 0.00 64.21 64.00 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yu6 n ASN 36 N -1.73 1.32 -0.02 -3.46 3.02 -0.88 -4.78 115.26 108.73 2yu6 n ASN 36 Ca 0.04 -2.83 -0.21 0.00 -0.03 0.00 0.00 54.58 51.54 2yu6 n ASN 36 Cb 0.38 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.51 0.73 -0.36 3.52 1.02 -1.22 -3.97 120.64 119.85 2yu6 n GLU 37 Ca 0.11 0.29 0.27 0.00 -0.02 0.00 0.00 57.16 57.81 2yu6 n GLU 37 Cb 0.81 -1.70 0.53 0.00 -0.02 0.00 0.00 31.44 31.07 2yu6 n GLU 37 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2yu6 h ARG 38 N -0.07 0.28 0.36 3.49 -0.00 -1.86 0.25 114.38 116.83 2yu6 h ARG 38 Ca -0.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.52 2yu6 h ARG 38 Cb 1.94 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.85 2yu6 h ARG 38 CO 0.04 0.19 -0.17 1.57 -0.00 0.00 0.00 179.97 181.59 2yu6 h LYS 39 N 0.29 -0.46 -0.96 0.08 2.10 -1.93 0.50 116.57 116.18 2yu6 h LYS 39 Ca 0.71 0.03 0.13 0.00 -2.00 0.00 0.00 60.65 59.52 2yu6 h LYS 39 Cb 1.86 0.10 -0.09 0.00 -0.90 0.00 0.00 32.23 33.21 2yu6 h LYS 39 CO -0.45 -0.15 0.59 -0.07 -2.00 0.00 0.00 179.45 177.37 2yu6 h LEU 40 N -0.96 0.84 0.26 7.07 3.38 -1.25 0.37 115.31 125.01 2yu6 h LEU 40 Ca -0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yu6 h LEU 40 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2yu6 h LEU 40 CO 0.08 0.43 -0.12 -1.13 0.09 0.00 0.00 178.44 177.78 2yu6 h ASN 41 N 0.90 -0.30 0.01 -0.43 -0.73 -0.61 -2.68 115.58 111.75 2yu6 h ASN 41 Ca 0.49 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.69 2yu6 h ASN 41 Cb 0.53 0.08 -0.06 0.00 0.27 0.00 0.00 38.32 39.14 2yu6 h ASN 41 CO -0.28 -0.07 -0.49 -0.09 -0.37 0.00 0.00 177.43 176.12 2yu6 h ARG 42 N -0.63 -0.62 -0.84 6.67 9.65 -0.78 -1.66 114.38 126.17 2yu6 h ARG 42 Ca -0.04 0.04 0.21 0.00 -1.10 0.00 0.00 59.98 59.10 2yu6 h ARG 42 Cb 0.27 0.14 -0.15 0.00 -1.39 0.00 0.00 29.97 28.84 2yu6 h ARG 42 CO 0.06 -0.42 0.08 0.00 2.80 0.00 0.00 179.97 182.49 2yu6 h ALA 43 N -0.28 1.01 -1.14 2.80 0.00 -0.41 0.62 119.26 121.84 2yu6 h ALA 43 Ca 0.03 0.26 0.32 0.00 0.00 0.00 0.00 54.91 55.52 2yu6 h ALA 43 Cb 0.71 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2yu6 h ALA 43 CO -0.34 -0.46 0.75 0.35 0.00 0.00 0.00 179.25 179.55 2yu6 h PHE 44 N 0.12 0.53 0.06 0.00 3.04 -0.93 1.25 116.94 121.01 2yu6 h PHE 44 Ca 0.49 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 62.15 2yu6 h PHE 44 Cb 0.94 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 2yu6 h PHE 44 CO -0.39 -0.02 -1.68 0.91 -2.02 0.00 0.00 178.31 175.10 2yu6 n TRP 45 N -4.58 1.07 0.41 0.41 8.01 0.19 -4.01 117.44 118.95 2yu6 n TRP 45 Ca 0.29 0.33 0.06 0.00 -1.31 0.00 0.00 57.50 56.87 2yu6 n TRP 45 Cb 1.08 -1.13 0.25 0.00 -2.01 0.00 0.00 31.31 29.51 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2yu6 n GLU 46 N -3.96 0.01 -4.27 -0.99 1.02 0.34 -4.73 120.64 108.06 2yu6 n GLU 46 Ca -0.33 0.29 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 2yu6 n GLU 46 Cb 0.87 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 2yu6 n GLU 46 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yu6 s SER 47 N -2.98 1.45 0.12 1.62 0.15 0.42 -4.66 113.70 109.81 2yu6 s SER 47 Ca 0.06 -1.17 -0.08 0.00 0.70 0.00 0.00 55.95 55.46 2yu6 s SER 47 Cb 0.08 0.07 -0.12 0.00 -1.71 0.00 0.00 66.02 64.34 2yu6 s SER 47 CO 0.21 -0.53 1.29 -1.28 1.20 0.00 0.00 173.24 174.14 2yu6 h SER 48 N 2.64 0.71 -5.40 5.45 0.87 -1.80 -3.43 113.55 112.59 2yu6 h SER 48 Ca -0.37 -0.53 -0.14 0.00 -1.23 0.00 0.00 61.79 59.51 2yu6 h SER 48 Cb 1.21 -0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.83 2yu6 h SER 48 CO 0.63 1.33 -0.37 -0.63 -0.53 0.00 0.00 176.83 177.26 2yu6 s ILE 49 N -3.41 0.01 -0.29 2.23 1.01 -1.26 -5.01 121.20 114.47 2yu6 s ILE 49 Ca -0.08 -1.68 -0.02 0.00 0.00 0.00 0.00 60.65 58.88 2yu6 s ILE 49 Cb 0.08 -2.30 0.09 0.00 0.01 0.00 0.00 42.46 40.35 2yu6 s ILE 49 CO 0.89 -0.04 0.09 -0.69 0.00 0.00 0.00 174.94 175.19 2yu6 s VAL 50 N -4.08 0.63 -0.40 2.92 1.01 -1.26 -2.45 120.40 116.77 2yu6 s VAL 50 Ca 0.29 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 2yu6 s VAL 50 Cb 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2yu6 s VAL 50 CO 0.09 -0.62 1.02 -0.31 0.00 0.00 0.00 175.10 175.29 2yu6 s TYR 51 N 1.75 3.00 -0.35 5.22 2.02 -0.29 -0.49 117.35 128.20 2yu6 s TYR 51 Ca 0.08 0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 57.52 2yu6 s TYR 51 Cb -0.17 -3.93 0.05 0.00 -0.40 0.00 0.00 41.96 37.51 2yu6 s TYR 51 CO -0.25 -0.98 0.12 -0.51 -1.57 0.00 0.00 175.55 172.36 2yu6 s LEU 52 N 3.84 4.45 -0.44 -1.29 1.43 -0.69 -0.93 118.68 125.05 2yu6 s LEU 52 Ca 0.43 -1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 2yu6 s LEU 52 Cb -0.10 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.28 2yu6 s LEU 52 CO 0.23 -0.36 0.81 -0.69 0.23 0.00 0.00 176.35 176.56 2yu6 s VAL 53 N 1.37 4.63 0.08 -1.59 1.01 0.23 -1.13 120.40 125.00 2yu6 s VAL 53 Ca -0.01 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 2yu6 s VAL 53 Cb -0.20 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 2yu6 s VAL 53 CO 0.02 -0.69 0.40 -0.36 0.00 0.00 0.00 175.10 174.47 2yu6 s PHE 54 N 3.33 3.59 -0.22 5.22 0.40 0.79 -0.25 117.98 130.85 2yu6 s PHE 54 Ca 0.31 0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 57.37 2yu6 s PHE 54 Cb -0.12 -2.17 0.10 0.00 0.51 0.00 0.00 43.02 41.34 2yu6 s PHE 54 CO 0.22 0.52 0.46 0.45 0.70 0.00 0.00 175.22 177.58 2yu6 s SER 55 N -1.72 -0.41 0.48 1.36 0.15 0.15 -2.57 113.70 111.13 2yu6 s SER 55 Ca 0.33 1.09 -0.22 0.00 0.70 0.00 0.00 55.95 57.85 2yu6 s SER 55 Cb -0.14 1.52 -0.07 0.00 -1.71 0.00 0.00 66.02 65.61 2yu6 s SER 55 CO 0.18 -0.23 1.12 -0.69 1.20 0.00 0.00 173.24 174.82 2yu6 s VAL 56 N 2.66 3.32 1.36 4.45 1.01 -1.26 -2.73 120.40 129.21 2yu6 s VAL 56 Ca -0.02 0.92 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 2yu6 s VAL 56 Cb -0.12 -3.43 0.34 0.00 0.00 0.00 0.00 36.38 33.18 2yu6 s VAL 56 CO -0.14 -0.09 0.98 -1.10 0.00 0.00 0.00 175.10 174.75 2yu6 s GLN 57 N -2.92 -2.47 0.00 2.72 -1.52 -0.85 -3.19 119.66 111.43 2yu6 s GLN 57 Ca 0.66 0.10 0.00 0.00 -1.95 0.00 0.00 55.36 54.17 2yu6 s GLN 57 Cb -0.24 -1.43 0.00 0.00 -0.22 0.00 0.00 33.01 31.11 2yu6 s GLN 57 CO 0.29 -4.57 0.00 0.41 -0.25 0.00 0.00 175.29 171.17 2yu6 n GLY 58 N 0.77 -0.27 3.02 3.09 0.00 -1.26 -4.85 105.19 105.70 2yu6 n GLY 58 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2yu6 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu6 s SER 59 N -1.54 2.24 -0.07 1.61 0.15 -1.19 -5.00 113.70 109.89 2yu6 s SER 59 Ca 0.00 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.32 2yu6 s SER 59 Cb 0.00 -0.99 0.26 0.00 -1.71 0.00 0.00 66.02 63.59 2yu6 s SER 59 CO 0.00 -0.00 0.94 0.61 1.20 0.00 0.00 173.24 175.98 2yu6 n GLY 60 N 4.24 1.80 3.43 9.45 0.00 -1.26 -4.86 105.19 117.98 2yu6 n GLY 60 Ca -0.19 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.59 1.77 -0.40 1.61 3.76 -1.26 -0.28 115.29 118.90 2yu6 s HIS 61 Ca 0.18 -1.16 -0.09 0.00 -0.15 0.00 0.00 55.06 53.83 2yu6 s HIS 61 Cb 0.13 -1.10 0.06 0.00 1.11 0.00 0.00 32.58 32.78 2yu6 s HIS 61 CO 0.06 -0.23 0.23 -0.06 -0.85 0.00 0.00 174.74 173.88 2yu6 s PHE 62 N -3.41 3.30 0.61 1.40 0.08 0.21 -4.63 117.98 115.54 2yu6 s PHE 62 Ca 0.33 -1.35 0.25 0.00 0.12 0.00 0.00 56.93 56.28 2yu6 s PHE 62 Cb 0.06 -2.74 1.06 0.00 -0.57 0.00 0.00 43.02 40.83 2yu6 s PHE 62 CO 0.15 -0.78 1.50 1.96 -0.10 0.00 0.00 175.22 177.95 2yu6 h GLN 63 N 8.40 0.00 0.00 0.44 1.08 -1.76 -3.17 115.11 120.11 2yu6 h GLN 63 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2yu6 h GLN 63 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2yu6 h GLN 63 CO 0.72 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.01 2yu6 n GLY 64 N -1.59 0.82 3.37 3.46 0.00 -1.06 -4.49 105.19 105.70 2yu6 n GLY 64 Ca 0.15 -2.13 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.00 1.71 -0.23 1.61 -0.71 -1.26 -0.15 117.98 117.95 2yu6 s PHE 65 Ca 0.00 -0.92 -0.11 0.00 -1.04 0.00 0.00 56.93 54.86 2yu6 s PHE 65 Cb 0.00 -1.02 0.08 0.00 -1.21 0.00 0.00 43.02 40.87 2yu6 s PHE 65 CO 0.00 -0.00 0.54 -1.12 -1.34 0.00 0.00 175.22 173.29 2yu6 s SER 66 N -3.37 -0.70 -0.16 1.98 0.01 -0.28 -3.41 113.70 107.77 2yu6 s SER 66 Ca 0.31 1.21 -0.27 0.00 1.31 0.00 0.00 55.95 58.51 2yu6 s SER 66 Cb 0.06 1.32 -0.01 0.00 0.21 0.00 0.00 66.02 67.60 2yu6 s SER 66 CO 0.11 -0.22 0.91 0.00 0.41 0.00 0.00 173.24 174.45 2yu6 s ARG 67 N 1.96 4.32 0.04 12.44 1.70 0.12 -1.70 118.95 137.83 2yu6 s ARG 67 Ca -0.08 1.17 -0.35 0.00 -0.47 0.00 0.00 55.73 56.00 2yu6 s ARG 67 Cb -0.09 -3.58 -0.14 0.00 -0.57 0.00 0.00 34.95 30.57 2yu6 s ARG 67 CO -0.16 -0.38 1.60 -0.12 -1.08 0.00 0.00 175.30 175.16 2yu6 n MET 68 N 5.37 1.79 -0.07 3.89 0.00 0.36 -0.68 117.12 127.78 2yu6 n MET 68 Ca 0.07 0.65 -0.07 0.00 -0.00 0.00 0.00 57.70 58.35 2yu6 n MET 68 Cb 0.48 -2.39 -0.12 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 4.05 1.33 -4.28 6.12 2.88 -1.22 -4.46 113.62 118.04 2yu6 n SER 69 Ca 0.19 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.57 2yu6 n SER 69 Cb 0.25 0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 64.51 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 -4.79 2.12 0.48 -3.46 0.15 -1.24 -5.02 113.70 101.94 2yu6 s SER 70 Ca -0.07 -0.95 -0.06 0.00 0.70 0.00 0.00 55.95 55.56 2yu6 s SER 70 Cb 0.05 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2yu6 s SER 70 CO 0.61 -0.22 0.79 -1.83 1.20 0.00 0.00 173.24 173.80 2yu6 s GLU 71 N -3.38 3.57 0.20 5.44 1.03 -1.26 -4.24 118.70 120.06 2yu6 s GLU 71 Ca 0.16 0.26 -0.30 0.00 0.03 0.00 0.00 54.97 55.12 2yu6 s GLU 71 Cb -0.01 -2.36 -0.08 0.00 -0.80 0.00 0.00 34.13 30.88 2yu6 s GLU 71 CO 0.03 -0.20 1.14 0.42 -1.33 0.00 0.00 175.26 175.32 2yu6 s ILE 72 N -2.72 3.69 0.00 1.83 1.01 -1.26 -4.67 121.20 119.08 2yu6 s ILE 72 Ca 0.48 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.61 2yu6 s ILE 72 Cb -0.10 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2yu6 s ILE 72 CO 0.44 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.25 2yu6 n GLY 73 N 1.96 -0.37 0.32 6.18 0.00 -1.16 -4.95 105.19 107.17 2yu6 n GLY 73 Ca 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.09 -1.67 1.61 3.00 -1.26 -4.21 116.66 114.04 2yu6 n ARG 74 Ca 0.00 1.36 -0.63 0.00 -0.00 0.00 0.00 57.85 58.58 2yu6 n ARG 74 Cb 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 32.46 30.35 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 -5.40 0.31 -3.87 -0.14 -0.58 -1.26 -4.90 120.64 104.80 2yu6 n GLU 75 Ca 0.13 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.88 2yu6 n GLU 75 Cb 0.43 -1.66 -0.09 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 2.16 0.62 0.39 3.49 -0.14 -1.26 -2.21 119.74 122.79 2yu6 s LYS 76 Ca 0.99 -0.59 0.06 0.00 -1.36 0.00 0.00 55.97 55.06 2yu6 s LYS 76 Cb -1.32 0.26 -0.02 0.00 -1.68 0.00 0.00 37.83 35.06 2yu6 s LYS 76 CO 0.70 -0.17 0.20 0.45 -0.76 0.00 0.00 175.35 175.77 2yu6 s SER 77 N -1.91 2.42 0.02 2.83 0.15 -1.26 -5.03 113.70 110.92 2yu6 s SER 77 Ca -0.08 -1.75 -0.00 0.00 0.70 0.00 0.00 55.95 54.82 2yu6 s SER 77 Cb -0.03 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2yu6 s SER 77 CO -0.02 -1.02 -0.00 1.67 1.20 0.00 0.00 173.24 175.06 2yu6 n GLN 78 N -0.82 0.01 -1.68 5.44 -0.06 -1.26 -5.02 117.38 113.99 2yu6 n GLN 78 Ca -0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 57.00 54.51 2yu6 n GLN 78 Cb 0.64 -0.13 -0.05 0.00 -4.06 0.00 0.00 30.24 26.63 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2yu6 n ASP 79 N -2.70 3.20 -3.73 1.69 8.00 -1.26 -4.93 116.55 116.82 2yu6 n ASP 79 Ca -0.00 1.01 -0.07 0.00 0.71 0.00 0.00 54.79 56.44 2yu6 n ASP 79 Cb 0.01 -1.35 -0.02 0.00 -0.02 0.00 0.00 41.12 39.74 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2yu6 s TRP 80 N 3.24 -0.25 -0.17 1.24 0.23 -1.26 -5.00 118.94 116.97 2yu6 s TRP 80 Ca 0.90 -0.10 -0.09 0.00 -2.03 0.00 0.00 56.10 54.78 2yu6 s TRP 80 Cb -0.74 0.65 -0.22 0.00 0.03 0.00 0.00 33.47 33.19 2yu6 s TRP 80 CO 0.50 -1.00 0.17 0.41 0.96 0.00 0.00 176.95 177.99 2yu6 n GLY 81 N -0.43 -0.57 3.21 0.98 0.00 -1.26 -4.85 105.19 102.26 2yu6 n GLY 81 Ca -0.07 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2yu6 n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu6 s SER 82 N -6.95 4.39 0.48 1.61 0.01 -1.26 -4.98 113.70 107.00 2yu6 s SER 82 Ca -0.27 -0.88 0.13 0.00 1.31 0.00 0.00 55.95 56.23 2yu6 s SER 82 Cb 0.08 -1.68 1.11 0.00 0.21 0.00 0.00 66.02 65.74 2yu6 s SER 82 CO 0.68 -0.14 2.11 0.00 0.41 0.00 0.00 173.24 176.31 2yu6 h ALA 83 N 8.02 1.89 -0.27 1.44 0.00 -1.99 -3.37 119.26 124.98 2yu6 h ALA 83 Ca -0.32 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2yu6 h ALA 83 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2yu6 h ALA 83 CO 0.57 0.10 0.35 0.20 0.00 0.00 0.00 179.25 180.47 2yu6 s GLY 84 N -3.92 -0.69 0.33 0.00 0.00 -1.26 -4.81 107.32 96.97 2yu6 s GLY 84 Ca -0.06 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 2yu6 s GLY 84 CO 0.70 4.05 0.42 1.08 0.00 0.00 0.00 173.10 179.35 2yu6 s LEU 85 N 14.85 1.10 -0.30 0.66 1.43 -1.26 -4.88 118.68 130.28 2yu6 s LEU 85 Ca 0.79 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 2yu6 s LEU 85 Cb -0.05 1.26 0.19 0.00 0.03 0.00 0.00 46.19 47.62 2yu6 s LEU 85 CO 0.14 -1.22 1.12 -0.83 0.23 0.00 0.00 176.35 175.80 2yu6 s GLY 86 N -3.24 -1.18 0.00 -3.19 0.00 -1.26 -5.03 107.32 93.42 2yu6 s GLY 86 Ca 0.32 1.92 0.00 0.00 0.00 0.00 0.00 44.72 46.97 2yu6 s GLY 86 CO 0.20 4.28 0.00 0.61 0.00 0.00 0.00 173.10 178.19 2yu6 n GLY 87 N 4.41 0.70 3.96 0.20 0.00 -1.26 -4.70 105.19 108.50 2yu6 n GLY 87 Ca 0.08 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 5.22 0.01 1.61 1.01 -0.94 -4.58 120.40 122.74 2yu6 s VAL 88 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2yu6 s VAL 88 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2yu6 s VAL 88 CO 0.00 -0.36 0.25 0.72 0.00 0.00 0.00 175.10 175.71 2yu6 s PHE 89 N -2.04 -0.07 0.64 5.22 -0.71 -1.20 -2.97 117.98 116.85 2yu6 s PHE 89 Ca 0.36 0.02 -0.12 0.00 -1.04 0.00 0.00 56.93 56.15 2yu6 s PHE 89 Cb -0.09 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.73 2yu6 s PHE 89 CO 0.31 -0.39 1.04 0.15 -1.34 0.00 0.00 175.22 174.98 2yu6 s LYS 90 N -1.76 3.39 -0.14 1.99 1.02 -1.26 -0.90 119.74 122.08 2yu6 s LYS 90 Ca -0.11 0.86 -0.10 0.00 0.02 0.00 0.00 55.97 56.64 2yu6 s LYS 90 Cb -0.04 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 2yu6 s LYS 90 CO 0.01 -0.74 0.35 0.14 -0.92 0.00 0.00 175.35 174.19 2yu6 s VAL 91 N -3.05 -0.01 -0.27 3.17 -7.23 -0.82 -3.45 120.40 108.75 2yu6 s VAL 91 Ca 0.57 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.62 2yu6 s VAL 91 Cb -0.12 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 2yu6 s VAL 91 CO 0.52 0.02 0.43 -0.70 -0.31 0.00 0.00 175.10 175.05 2yu6 s GLU 92 N 0.66 4.04 -0.29 4.82 2.56 0.14 -4.64 118.70 125.98 2yu6 s GLU 92 Ca -0.04 0.15 -0.21 0.00 0.00 0.00 0.00 54.97 54.87 2yu6 s GLU 92 Cb -0.05 -3.65 -0.01 0.00 2.00 0.00 0.00 34.13 32.42 2yu6 s GLU 92 CO -0.04 -0.31 0.67 -1.58 -0.56 0.00 0.00 175.26 173.45 2yu6 s TRP 93 N 2.16 3.23 -0.13 5.30 0.52 -1.26 0.14 118.94 128.90 2yu6 s TRP 93 Ca 0.17 0.70 -0.07 0.00 0.02 0.00 0.00 56.10 56.92 2yu6 s TRP 93 Cb -0.16 -3.02 -0.02 0.00 -1.15 0.00 0.00 33.47 29.12 2yu6 s TRP 93 CO 0.10 -0.47 -0.14 0.82 0.02 0.00 0.00 176.95 177.28 2yu6 h ILE 94 N 5.53 0.00 -3.57 2.03 5.03 -1.95 -3.48 117.51 121.11 2yu6 h ILE 94 Ca -0.26 -0.95 -0.67 0.00 -0.12 0.00 0.00 64.86 62.86 2yu6 h ILE 94 Cb 1.11 0.00 -0.22 0.00 -3.03 0.00 0.00 36.82 34.68 2yu6 h ILE 94 CO 0.82 0.00 -0.72 -0.13 -0.68 0.00 0.00 178.15 177.44 2yu6 s ARG 95 N -2.06 3.07 -0.29 2.37 3.00 -1.26 -5.01 118.95 118.77 2yu6 s ARG 95 Ca -0.11 -0.61 0.08 0.00 0.00 0.00 0.00 55.73 55.09 2yu6 s ARG 95 Cb 0.02 -2.63 0.47 0.00 0.00 0.00 0.00 34.95 32.81 2yu6 s ARG 95 CO 0.17 0.45 1.37 1.63 0.00 0.00 0.00 175.30 178.92 2yu6 n LYS 96 N 2.86 2.19 -3.50 3.54 5.02 -1.26 -3.98 118.16 123.03 2yu6 n LYS 96 Ca -0.18 -3.44 -0.19 0.00 -2.02 0.00 0.00 58.31 52.48 2yu6 n LYS 96 Cb 0.53 -1.89 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2yu6 n LYS 96 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2yu6 s GLU 97 N -3.36 3.06 -0.56 1.97 8.01 -1.26 -5.01 118.70 121.55 2yu6 s GLU 97 Ca 0.45 -1.05 -0.10 0.00 0.01 0.00 0.00 54.97 54.28 2yu6 s GLU 97 Cb 0.40 -2.78 0.14 0.00 -4.31 0.00 0.00 34.13 27.59 2yu6 s GLU 97 CO -0.01 0.06 0.45 -1.12 0.01 0.00 0.00 175.26 174.64 2yu6 s SER 98 N -4.15 5.87 -0.24 -0.19 0.01 -1.26 -4.08 113.70 109.65 2yu6 s SER 98 Ca 0.45 -2.18 -0.24 0.00 1.31 0.00 0.00 55.95 55.29 2yu6 s SER 98 Cb -0.09 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2yu6 s SER 98 CO 0.31 -0.64 0.81 -0.22 0.41 0.00 0.00 173.24 173.91 2yu6 s LEU 99 N 0.97 4.08 0.05 2.44 2.96 -1.20 -4.76 118.68 123.23 2yu6 s LEU 99 Ca 0.09 1.02 -0.31 0.00 -0.22 0.00 0.00 54.13 54.72 2yu6 s LEU 99 Cb -0.23 -3.17 -0.07 0.00 0.50 0.00 0.00 46.19 43.23 2yu6 s LEU 99 CO -0.02 -0.50 1.41 -2.16 -1.32 0.00 0.00 176.35 173.76 2yu6 s PRO 100 N 2.78 4.30 0.38 0.98 0.04 -1.26 0.65 135.00 142.86 2yu6 s PRO 100 Ca 0.34 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.70 2yu6 s PRO 100 Cb -0.15 -3.45 1.27 0.00 0.04 0.00 0.00 34.50 32.21 2yu6 s PRO 100 CO 0.08 -0.52 1.30 1.19 0.04 0.00 0.00 177.00 179.09 2yu6 n PHE 101 N 4.81 0.53 -0.33 0.56 3.72 0.61 0.13 117.46 127.49 2yu6 n PHE 101 Ca 0.13 0.53 0.03 0.00 -0.05 0.00 0.00 57.45 58.09 2yu6 n PHE 101 Cb 0.43 -0.95 0.10 0.00 -0.94 0.00 0.00 39.48 38.12 2yu6 n PHE 101 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2yu6 h GLN 102 N 0.00 -0.01 -0.84 -1.08 -0.00 -1.89 0.90 115.11 112.18 2yu6 h GLN 102 Ca 0.74 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 59.47 2yu6 h GLN 102 Cb 2.45 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 29.87 2yu6 h GLN 102 CO -0.35 -0.01 0.51 0.74 0.00 0.00 0.00 178.83 179.72 2yu6 h PHE 103 N -0.01 0.93 -0.46 3.99 -1.00 -0.69 0.21 116.94 119.91 2yu6 h PHE 103 Ca 0.41 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.22 2yu6 h PHE 103 Cb 0.65 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2yu6 h PHE 103 CO -0.74 0.44 0.00 0.00 -1.61 0.00 0.00 178.31 176.39 2yu6 n ALA 104 N -2.36 3.01 -0.25 2.45 0.00 0.22 -4.31 120.51 119.27 2yu6 n ALA 104 Ca 0.13 -1.16 -0.07 0.00 0.00 0.00 0.00 53.44 52.34 2yu6 n ALA 104 Cb 0.22 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 2.94 1.07 -0.03 0.00 6.17 0.26 -2.58 115.15 122.99 2yu6 h HIS 105 Ca 0.00 -0.09 -0.12 0.00 0.71 0.00 0.00 60.37 60.88 2yu6 h HIS 105 Cb 1.18 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 30.77 2yu6 h HIS 105 CO 0.59 0.84 -0.52 1.12 0.71 0.00 0.00 177.93 180.67 2yu6 h HIS 106 N 0.99 0.09 -3.94 5.26 2.07 -1.75 -3.44 115.15 114.43 2yu6 h HIS 106 Ca 0.23 -0.03 -0.50 0.00 -2.85 0.00 0.00 60.37 57.21 2yu6 h HIS 106 Cb 0.24 -0.02 0.05 0.00 2.57 0.00 0.00 27.41 30.25 2yu6 h HIS 106 CO 0.02 0.58 0.50 -0.51 -3.07 0.00 0.00 177.93 175.44 2yu6 s LEU 107 N -7.91 4.20 0.00 6.12 1.43 -0.97 -5.04 118.68 116.50 2yu6 s LEU 107 Ca -0.03 2.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.46 2yu6 s LEU 107 Cb 0.13 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 2yu6 s LEU 107 CO 0.76 -0.65 0.27 0.18 0.23 0.00 0.00 176.35 177.14 2yu6 n LEU 108 N 0.09 0.00 -3.80 1.79 4.77 -1.26 -3.25 117.00 115.33 2yu6 n LEU 108 Ca 0.04 -2.89 -0.30 0.00 -0.03 0.00 0.00 56.01 52.83 2yu6 n LEU 108 Cb 0.47 1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 42.99 2yu6 n LEU 108 CO 0.50 -0.49 -0.34 0.21 -1.33 0.00 0.00 177.39 175.94 2yu6 s ASN 109 N -3.13 4.08 0.00 -1.43 2.47 0.14 -4.43 114.94 112.65 2yu6 s ASN 109 Ca 0.36 -1.65 0.15 0.00 0.42 0.00 0.00 52.86 52.14 2yu6 s ASN 109 Cb 0.02 -1.00 0.83 0.00 -1.45 0.00 0.00 41.25 39.65 2yu6 s ASN 109 CO 0.26 -0.39 1.38 -0.81 -3.72 0.00 0.00 177.10 173.81 2yu6 n PRO 110 N 4.75 0.34 0.10 0.43 -0.04 -1.26 -1.32 135.00 138.00 2yu6 n PRO 110 Ca -0.02 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2yu6 n PRO 110 Cb 0.42 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.07 0.54 4.06 -1.94 -3.38 115.95 113.17 2yu6 h TRP 111 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 2yu6 h TRP 111 Cb 0.07 0.00 -0.41 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 -2.57 3.06 -2.84 -3.49 5.15 -0.90 -4.91 115.26 108.77 2yu6 n ASN 112 Ca 0.01 -3.40 -0.14 0.00 -0.60 0.00 0.00 54.58 50.45 2yu6 n ASN 112 Cb 0.52 -0.57 0.07 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.07 -2.50 -3.39 1.20 9.92 -1.25 -2.74 116.55 117.73 2yu6 n ASP 113 Ca 0.28 -0.46 -0.24 0.00 -0.53 0.00 0.00 54.79 53.84 2yu6 n ASP 113 Cb 0.53 -3.99 -0.04 0.00 -0.64 0.00 0.00 41.12 36.97 2yu6 n ASP 113 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2yu6 n ASN 114 N -2.51 -1.26 -4.79 -2.24 4.13 -0.43 -4.84 115.26 103.32 2yu6 n ASN 114 Ca -0.19 -0.58 -0.38 0.00 1.68 0.00 0.00 54.58 55.11 2yu6 n ASN 114 Cb 0.62 -1.13 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2yu6 s LYS 115 N -5.39 4.51 0.12 3.52 -0.14 -0.80 -4.42 119.74 117.13 2yu6 s LYS 115 Ca 0.47 1.13 -0.34 0.00 -1.36 0.00 0.00 55.97 55.87 2yu6 s LYS 115 Cb -0.28 -3.07 -0.17 0.00 -1.68 0.00 0.00 37.83 32.63 2yu6 s LYS 115 CO 0.58 0.47 0.98 1.17 -0.76 0.00 0.00 175.35 177.79 2yu6 n LYS 116 N 1.15 0.48 -0.17 1.68 4.81 -1.26 0.29 118.16 125.14 2yu6 n LYS 116 Ca -0.03 0.17 -0.05 0.00 -0.87 0.00 0.00 58.31 57.54 2yu6 n LYS 116 Cb 0.49 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.95 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 1.17 -0.28 -0.26 3.15 0.31 -1.20 0.13 118.33 121.34 2yu6 n VAL 117 Ca 0.18 1.59 0.26 0.00 -0.01 0.00 0.00 64.34 66.35 2yu6 n VAL 117 Cb 0.19 -2.02 0.48 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.93 -0.05 -1.23 5.55 10.64 -1.26 -2.93 117.38 124.16 2yu6 n GLN 118 Ca 0.01 1.12 -0.39 0.00 -1.83 0.00 0.00 57.00 55.91 2yu6 n GLN 118 Cb 0.11 -2.02 -0.07 0.00 -0.86 0.00 0.00 30.24 27.39 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 -4.84 1.40 -3.71 -0.39 5.41 0.35 -4.79 119.36 112.79 2yu6 n ILE 119 Ca 0.31 -1.29 -0.12 0.00 1.00 0.00 0.00 62.75 62.65 2yu6 n ILE 119 Cb 1.05 -2.21 -0.13 0.00 -0.71 0.00 0.00 39.64 37.64 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 5.86 -0.24 0.49 4.38 0.01 -1.15 -4.80 113.70 118.25 2yu6 s SER 120 Ca 0.63 0.61 -0.18 0.00 1.31 0.00 0.00 55.95 58.32 2yu6 s SER 120 Cb 0.11 0.54 -0.09 0.00 0.21 0.00 0.00 66.02 66.78 2yu6 s SER 120 CO 0.17 -0.18 0.98 0.00 0.41 0.00 0.00 173.24 174.62 2yu6 s ARG 121 N 1.46 3.99 0.06 12.44 1.70 -1.26 -4.85 118.95 132.49 2yu6 s ARG 121 Ca -0.08 1.05 -0.37 0.00 -0.47 0.00 0.00 55.73 55.86 2yu6 s ARG 121 Cb -0.10 -2.14 -0.17 0.00 -0.57 0.00 0.00 34.95 31.97 2yu6 s ARG 121 CO -0.09 -0.24 1.37 -0.40 -1.08 0.00 0.00 175.30 174.86 2yu6 n ASP 122 N -1.27 1.73 0.00 -2.89 5.75 -1.26 -1.26 116.55 117.35 2yu6 n ASP 122 Ca 0.07 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.96 2yu6 n ASP 122 Cb 0.54 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 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 2.66 0.47 3.75 6.12 0.00 -0.57 -4.93 105.19 112.69 2yu6 n GLY 123 Ca 0.19 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.05 4.13 0.15 1.61 2.00 -0.39 -4.92 119.66 119.18 2yu6 s GLN 124 Ca 0.00 -0.01 -0.31 0.00 -2.00 0.00 0.00 55.36 53.04 2yu6 s GLN 124 Cb 0.00 -3.39 -0.08 0.00 0.80 0.00 0.00 33.01 30.34 2yu6 s GLN 124 CO 0.00 0.34 1.34 -2.00 -0.50 0.00 0.00 175.29 174.47 2yu6 s GLU 125 N 0.18 4.36 -0.06 1.67 2.12 -1.26 -2.36 118.70 123.35 2yu6 s GLU 125 Ca 0.14 2.04 0.02 0.00 0.36 0.00 0.00 54.97 57.54 2yu6 s GLU 125 Cb -0.12 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2yu6 s GLU 125 CO 0.02 -0.34 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.12 2yu6 s LEU 126 N 0.54 2.91 0.33 2.70 2.96 0.20 -4.94 118.68 123.39 2yu6 s LEU 126 Ca 0.60 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 2yu6 s LEU 126 Cb -0.36 -1.61 -0.10 0.00 0.50 0.00 0.00 46.19 44.61 2yu6 s LEU 126 CO 0.34 0.34 1.38 -0.70 -1.32 0.00 0.00 176.35 176.39 2yu6 s GLU 127 N -0.71 4.27 0.30 1.98 2.12 -1.26 -3.80 118.70 121.60 2yu6 s GLU 127 Ca 0.11 2.34 0.25 0.00 0.36 0.00 0.00 54.97 58.03 2yu6 s GLU 127 Cb -0.11 -3.04 1.04 0.00 0.26 0.00 0.00 34.13 32.28 2yu6 s GLU 127 CO 0.01 -0.33 1.75 -1.00 -0.54 0.00 0.00 175.26 175.15 2yu6 h PRO 128 N 3.49 0.00 0.11 4.30 0.13 -1.91 0.26 132.00 138.38 2yu6 h PRO 128 Ca -0.49 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 2yu6 h PRO 128 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2yu6 h PRO 128 CO 0.67 0.00 -0.81 0.37 -0.23 0.00 0.00 178.00 178.00 2yu6 h GLN 129 N 0.00 0.23 0.00 0.86 4.15 -1.97 -2.99 115.11 115.39 2yu6 h GLN 129 Ca 0.00 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 58.92 2yu6 h GLN 129 Cb 0.37 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2yu6 h GLN 129 CO 0.00 1.19 -1.07 -0.39 -1.93 0.00 0.00 178.83 176.63 2yu6 h VAL 130 N -0.49 0.40 0.00 2.39 -1.51 -1.84 -3.30 116.25 111.91 2yu6 h VAL 130 Ca -0.16 -1.72 -0.14 0.00 -1.23 0.00 0.00 66.70 63.46 2yu6 h VAL 130 Cb 1.55 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 32.65 2yu6 h VAL 130 CO 0.10 0.23 -0.65 1.23 -1.23 0.00 0.00 177.57 177.24 2yu6 h GLY 131 N 3.77 0.00 0.91 5.19 0.00 -0.62 -2.61 103.07 109.70 2yu6 h GLY 131 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 2yu6 h GLY 131 CO 0.03 0.00 -0.72 1.05 0.00 0.00 0.00 176.54 176.90 2yu6 h GLU 132 N 0.00 0.50 0.00 4.80 4.11 -1.64 -3.16 114.58 119.19 2yu6 h GLU 132 Ca -0.01 -0.53 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2yu6 h GLU 132 Cb 1.38 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2yu6 h GLU 132 CO 0.08 1.17 0.00 0.00 0.07 0.00 0.00 179.01 180.33 2yu6 n GLN 133 N -4.11 0.03 0.06 1.06 10.64 -1.24 -3.09 117.38 120.73 2yu6 n GLN 133 Ca -0.10 0.05 -0.09 0.00 -1.83 0.00 0.00 57.00 55.02 2yu6 n GLN 133 Cb 0.73 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.48 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 -0.01 2.61 5.85 -1.43 -3.35 115.31 119.09 2yu6 h LEU 134 Ca 0.00 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2yu6 h LEU 134 Cb 0.43 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2yu6 h LEU 134 CO 0.00 1.09 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.86 2yu6 h LEU 135 N 0.02 0.24 -1.91 2.25 3.38 -1.54 -3.22 115.31 114.54 2yu6 h LEU 135 Ca -0.06 -0.76 0.42 0.00 0.09 0.00 0.00 57.88 57.57 2yu6 h LEU 135 Cb 1.84 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.46 2yu6 h LEU 135 CO 0.14 0.97 1.10 0.06 0.09 0.00 0.00 178.44 180.81 2yu6 h GLN 136 N -0.47 0.00 -0.77 1.13 3.07 -1.68 0.31 115.11 116.70 2yu6 h GLN 136 Ca -0.03 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.86 2yu6 h GLN 136 Cb 1.01 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.47 2yu6 h GLN 136 CO 0.05 0.00 0.31 -0.07 0.09 0.00 0.00 178.83 179.22 2yu6 h LEU 137 N 0.00 0.30 -1.70 0.06 3.38 -1.68 0.33 115.31 115.99 2yu6 h LEU 137 Ca 0.69 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.83 2yu6 h LEU 137 Cb 2.89 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 43.71 2yu6 h LEU 137 CO -0.01 0.11 0.51 -0.50 0.09 0.00 0.00 178.44 178.63 2yu6 h TRP 138 N 0.45 0.00 -0.00 1.13 6.55 -0.58 0.67 115.95 124.17 2yu6 h TRP 138 Ca 0.43 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 60.09 2yu6 h TRP 138 Cb 0.65 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.94 2yu6 h TRP 138 CO -0.16 0.00 -0.80 0.93 -1.05 0.00 0.00 178.44 177.36 2yu6 h GLU 139 N 0.00 0.10 0.00 0.49 5.08 -0.50 -3.06 114.58 116.70 2yu6 h GLU 139 Ca 0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2yu6 h GLU 139 Cb 1.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2yu6 h GLU 139 CO -0.00 0.85 -0.09 0.00 -1.00 0.00 0.00 179.01 178.77 2yu6 h ARG 140 N 0.06 0.00 0.00 2.33 2.47 0.31 -3.53 114.38 116.02 2yu6 h ARG 140 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2yu6 h ARG 140 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2yu6 h ARG 140 CO 0.11 0.09 0.00 1.28 0.56 0.00 0.00 179.97 182.01