#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 1.25 -4.63 1.61 3.41 -1.26 -4.95 113.62 109.05 2yu6 n SER 2 Ca 0.00 1.13 -0.35 0.00 -0.26 0.00 0.00 58.87 59.39 2yu6 n SER 2 Cb 0.00 -1.10 -0.10 0.00 -0.26 0.00 0.00 64.21 62.74 2yu6 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yu6 s SER 3 N 0.68 5.07 0.78 4.04 0.15 -1.26 -5.02 113.70 118.14 2yu6 s SER 3 Ca 0.88 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2yu6 s SER 3 Cb -1.07 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2yu6 s SER 3 CO 0.52 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.91 2yu6 n GLY 4 N 2.42 0.47 3.19 9.45 0.00 -1.26 -4.83 105.19 114.63 2yu6 n GLY 4 Ca -0.18 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 2yu6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu6 s SER 5 N -4.00 -0.12 0.09 1.61 0.15 -1.26 -5.16 113.70 105.01 2yu6 s SER 5 Ca 0.00 0.86 0.08 0.00 0.70 0.00 0.00 55.95 57.59 2yu6 s SER 5 Cb 0.00 1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 65.52 2yu6 s SER 5 CO 0.00 -0.24 -0.21 -0.55 1.20 0.00 0.00 173.24 173.44 2yu6 s SER 6 N 2.58 2.54 0.00 5.45 0.15 -1.26 -5.09 113.70 118.07 2yu6 s SER 6 Ca 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2yu6 s SER 6 Cb -0.12 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2yu6 s SER 6 CO -0.13 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2yu6 n GLY 7 N 1.24 0.58 3.79 9.45 0.00 -1.26 -4.97 105.19 114.03 2yu6 n GLY 7 Ca -0.19 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 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 4.25 0.54 1.61 0.11 -1.26 -3.60 120.40 120.04 2yu6 s VAL 8 Ca 0.00 1.69 0.07 0.00 -2.93 0.00 0.00 61.98 60.81 2yu6 s VAL 8 Cb 0.00 -3.85 0.05 0.00 -1.53 0.00 0.00 36.38 31.05 2yu6 s VAL 8 CO 0.00 -0.02 0.56 -0.13 -3.33 0.00 0.00 175.10 172.18 2yu6 s ARG 9 N -2.46 2.32 -0.05 1.54 0.52 -1.12 -4.88 118.95 114.82 2yu6 s ARG 9 Ca 0.55 -1.80 -0.00 0.00 -0.52 0.00 0.00 55.73 53.96 2yu6 s ARG 9 Cb -0.15 -2.37 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2yu6 s ARG 9 CO 0.20 -0.67 -0.02 0.71 0.02 0.00 0.00 175.30 175.54 2yu6 s TYR 10 N -2.69 0.68 -0.04 -0.53 1.51 -1.26 -1.04 117.35 113.99 2yu6 s TYR 10 Ca 0.47 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 2yu6 s TYR 10 Cb -0.04 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2yu6 s TYR 10 CO 0.29 -0.25 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.26 2yu6 s PHE 11 N 1.37 1.67 -0.40 2.71 0.08 -0.04 -1.79 117.98 121.58 2yu6 s PHE 11 Ca -0.04 -0.45 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 2yu6 s PHE 11 Cb -0.13 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2yu6 s PHE 11 CO -0.02 -0.14 0.56 0.42 -0.10 0.00 0.00 175.22 175.93 2yu6 s ILE 12 N -0.05 4.95 -0.30 0.64 -1.09 -1.02 -1.38 121.20 122.96 2yu6 s ILE 12 Ca -0.02 0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.44 2yu6 s ILE 12 Cb -0.11 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2yu6 s ILE 12 CO 0.02 -0.42 0.10 -0.04 -1.23 0.00 0.00 174.94 173.37 2yu6 s MET 13 N 2.53 3.18 0.08 2.79 -1.94 -0.91 -1.17 119.30 123.86 2yu6 s MET 13 Ca 0.19 -0.80 -0.16 0.00 -1.71 0.00 0.00 55.69 53.21 2yu6 s MET 13 Cb -0.15 -3.43 -0.06 0.00 2.01 0.00 0.00 34.83 33.19 2yu6 s MET 13 CO 0.16 -0.43 0.52 0.15 -0.01 0.00 0.00 175.02 175.41 2yu6 s LYS 14 N 1.54 4.04 -0.12 2.03 -0.14 -1.26 -2.22 119.74 123.60 2yu6 s LYS 14 Ca 0.03 0.55 0.03 0.00 -1.36 0.00 0.00 55.97 55.22 2yu6 s LYS 14 Cb -0.17 -3.12 0.01 0.00 -1.68 0.00 0.00 37.83 32.87 2yu6 s LYS 14 CO 0.04 0.59 -0.22 -1.54 -0.76 0.00 0.00 175.35 173.46 2yu6 s SER 15 N -1.34 2.98 0.14 2.83 1.04 -1.07 -4.85 113.70 113.43 2yu6 s SER 15 Ca 0.31 -0.56 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 2yu6 s SER 15 Cb -0.17 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2yu6 s SER 15 CO 0.18 0.11 1.64 0.28 0.98 0.00 0.00 173.24 176.43 2yu6 h SER 16 N 7.03 -0.68 -3.61 7.02 0.02 -1.96 -1.12 113.55 120.24 2yu6 h SER 16 Ca -0.26 0.12 -0.40 0.00 -0.84 0.00 0.00 61.79 60.41 2yu6 h SER 16 Cb 1.21 0.32 -0.14 0.00 0.14 0.00 0.00 62.40 63.93 2yu6 h SER 16 CO 0.51 -0.26 -0.68 0.20 -1.14 0.00 0.00 176.83 175.45 2yu6 s ASN 17 N -5.02 2.11 0.06 3.07 0.01 -1.26 -4.31 114.94 109.60 2yu6 s ASN 17 Ca -0.15 -1.14 -0.21 0.00 -0.71 0.00 0.00 52.86 50.65 2yu6 s ASN 17 Cb 0.11 -0.05 -0.13 0.00 0.41 0.00 0.00 41.25 41.59 2yu6 s ASN 17 CO 0.68 -0.39 1.48 0.25 -1.51 0.00 0.00 177.10 177.61 2yu6 h LEU 18 N 2.52 0.25 -0.82 0.60 7.12 -1.97 -3.26 115.31 119.74 2yu6 h LEU 18 Ca -0.38 -0.31 0.08 0.00 0.13 0.00 0.00 57.88 57.39 2yu6 h LEU 18 Cb 1.22 -0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 41.18 2yu6 h LEU 18 CO 0.64 0.50 -0.53 -0.09 -0.13 0.00 0.00 178.44 178.84 2yu6 h ARG 19 N -0.01 -0.05 -1.47 1.25 9.65 -1.99 0.81 114.38 122.56 2yu6 h ARG 19 Ca 0.04 0.00 0.49 0.00 -1.10 0.00 0.00 59.98 59.41 2yu6 h ARG 19 Cb 0.38 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 28.84 2yu6 h ARG 19 CO 0.01 -0.03 0.97 -0.91 2.80 0.00 0.00 179.97 182.81 2yu6 h ASN 20 N -0.05 0.17 -0.24 -3.80 2.35 -2.00 1.53 115.58 113.54 2yu6 h ASN 20 Ca 0.13 0.13 -0.19 0.00 -0.55 0.00 0.00 56.30 55.82 2yu6 h ASN 20 Cb 0.39 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2yu6 h ASN 20 CO -0.80 -0.21 -0.58 0.25 -1.65 0.00 0.00 177.43 174.44 2yu6 h LEU 21 N 0.01 0.93 -1.01 1.61 5.85 0.52 -3.17 115.31 120.06 2yu6 h LEU 21 Ca 0.89 -0.56 0.29 0.00 0.84 0.00 0.00 57.88 59.34 2yu6 h LEU 21 Cb 2.97 -0.27 -0.14 0.00 0.37 0.00 0.00 40.66 43.59 2yu6 h LEU 21 CO -0.39 1.32 0.59 -0.33 -0.34 0.00 0.00 178.44 179.29 2yu6 h GLU 22 N 0.58 0.43 -0.78 1.25 4.39 0.27 0.63 114.58 121.35 2yu6 h GLU 22 Ca -0.00 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.82 2yu6 h GLU 22 Cb 1.20 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 2yu6 h GLU 22 CO 0.13 0.28 0.52 0.82 -1.16 0.00 0.00 179.01 179.60 2yu6 h ILE 23 N 0.44 0.79 0.00 3.13 5.03 -1.50 0.23 117.51 125.63 2yu6 h ILE 23 Ca 0.69 -0.15 -0.11 0.00 -0.12 0.00 0.00 64.86 65.17 2yu6 h ILE 23 Cb 1.48 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 35.56 2yu6 h ILE 23 CO -0.54 0.08 -0.53 -1.28 -0.68 0.00 0.00 178.15 175.20 2yu6 h SER 24 N 0.44 0.00 1.00 1.72 0.87 0.29 0.12 113.55 117.99 2yu6 h SER 24 Ca 0.39 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.74 2yu6 h SER 24 Cb 0.87 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 2yu6 h SER 24 CO -0.13 0.53 -1.01 1.56 -0.53 0.00 0.00 176.83 177.24 2yu6 h GLN 25 N 0.00 0.00 0.00 2.24 4.20 -0.26 -2.48 115.11 118.81 2yu6 h GLN 25 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2yu6 h GLN 25 Cb 1.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.17 2yu6 h GLN 25 CO 0.07 0.98 -0.66 1.04 -0.67 0.00 0.00 178.83 179.59 2yu6 n GLN 26 N -3.34 0.38 0.11 1.46 1.13 0.32 -4.55 117.38 112.89 2yu6 n GLN 26 Ca -0.00 0.22 0.02 0.00 -1.94 0.00 0.00 57.00 55.30 2yu6 n GLN 26 Cb 0.94 -1.25 0.39 0.00 0.11 0.00 0.00 30.24 30.43 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 -0.74 0.26 0.00 -1.09 1.79 -0.96 -3.47 116.57 112.36 2yu6 h LYS 27 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2yu6 h LYS 27 Cb 0.66 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2yu6 h LYS 27 CO 0.00 0.37 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 2yu6 n GLY 28 N -0.93 0.57 3.11 3.86 0.00 -0.94 -5.00 105.19 105.87 2yu6 n GLY 28 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 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 0.38 -0.02 -0.61 -5.25 -1.24 -1.74 121.20 110.72 2yu6 s ILE 29 Ca 0.00 -1.78 0.01 0.00 -0.99 0.00 0.00 60.65 57.89 2yu6 s ILE 29 Cb 0.00 -1.48 0.01 0.00 2.95 0.00 0.00 42.46 43.94 2yu6 s ILE 29 CO 0.00 -0.91 -0.02 0.86 -1.79 0.00 0.00 174.94 173.07 2yu6 s TRP 30 N -3.62 0.38 -0.29 1.37 -0.11 0.76 -3.23 118.94 114.21 2yu6 s TRP 30 Ca 0.07 -0.06 -0.01 0.00 1.22 0.00 0.00 56.10 57.32 2yu6 s TRP 30 Cb 0.06 -0.36 0.05 0.00 -1.50 0.00 0.00 33.47 31.72 2yu6 s TRP 30 CO -0.08 -0.08 -0.02 0.45 -4.62 0.00 0.00 176.95 172.61 2yu6 s SER 31 N 0.49 4.79 0.44 5.86 0.15 -1.26 -2.78 113.70 121.38 2yu6 s SER 31 Ca -0.05 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.43 2yu6 s SER 31 Cb -0.08 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 2yu6 s SER 31 CO -0.01 -0.24 0.23 0.28 1.20 0.00 0.00 173.24 174.70 2yu6 s THR 32 N 1.25 2.20 0.41 6.45 -1.32 -1.26 -5.02 115.64 118.35 2yu6 s THR 32 Ca -0.05 -1.64 -0.26 0.00 -1.21 0.00 0.00 61.69 58.53 2yu6 s THR 32 Cb -0.19 -2.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.86 2yu6 s THR 32 CO -0.02 0.00 1.35 1.07 -2.21 0.00 0.00 174.62 174.81 2yu6 n THR 33 N -1.35 2.45 0.98 5.08 5.66 -1.26 -4.49 114.28 121.35 2yu6 n THR 33 Ca -0.01 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.53 2yu6 n THR 33 Cb 0.64 -1.70 0.26 0.00 -1.55 0.00 0.00 70.33 67.98 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 0.12 0.49 0.00 1.09 -0.04 -1.26 -1.95 135.00 133.44 2yu6 n PRO 34 Ca 0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.78 0.87 -0.09 3.54 7.64 -1.26 -4.22 113.62 119.32 2yu6 n SER 35 Ca 0.06 -0.84 0.04 0.00 1.01 0.00 0.00 58.87 59.15 2yu6 n SER 35 Cb 0.03 0.99 0.06 0.00 -1.01 0.00 0.00 64.21 64.28 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 -1.57 1.72 -0.08 6.43 3.02 -0.82 -4.75 115.26 119.21 2yu6 n ASN 36 Ca 0.04 -2.38 -0.22 0.00 -0.03 0.00 0.00 54.58 51.99 2yu6 n ASN 36 Cb 0.35 -0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.80 0.61 -0.38 3.52 1.02 -1.20 -3.92 120.64 119.49 2yu6 n GLU 37 Ca 0.07 0.50 0.31 0.00 -0.02 0.00 0.00 57.16 58.02 2yu6 n GLU 37 Cb 0.50 -1.73 0.51 0.00 -0.02 0.00 0.00 31.44 30.69 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 -4.21 -0.02 -0.05 3.49 -4.01 -1.26 0.14 116.66 110.74 2yu6 n ARG 38 Ca -0.33 0.88 -0.11 0.00 -1.04 0.00 0.00 57.85 57.25 2yu6 n ARG 38 Cb 0.77 -1.79 -0.10 0.00 -3.04 0.00 0.00 32.46 28.30 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 -0.02 -0.98 2.89 2.10 -1.92 -1.18 116.57 117.46 2yu6 h LYS 39 Ca 0.64 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 59.39 2yu6 h LYS 39 Cb 2.19 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 33.44 2yu6 h LYS 39 CO -0.27 0.74 0.63 -0.07 -2.00 0.00 0.00 179.45 178.47 2yu6 h LEU 40 N -0.96 0.94 0.17 7.07 3.38 0.11 0.76 115.31 126.78 2yu6 h LEU 40 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2yu6 h LEU 40 Cb 0.76 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2yu6 h LEU 40 CO 0.00 0.55 -0.08 -1.13 0.09 0.00 0.00 178.44 177.87 2yu6 h ASN 41 N 1.03 -0.19 0.77 -0.43 -1.24 -0.72 -2.91 115.58 111.90 2yu6 h ASN 41 Ca 0.46 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 2yu6 h ASN 41 Cb 0.37 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 2yu6 h ASN 41 CO -0.22 0.36 -0.46 -0.09 -1.29 0.00 0.00 177.43 175.73 2yu6 h ARG 42 N -1.00 -1.11 -0.67 6.67 9.65 -1.07 -3.01 114.38 123.86 2yu6 h ARG 42 Ca -0.02 0.08 0.12 0.00 -1.10 0.00 0.00 59.98 59.06 2yu6 h ARG 42 Cb 0.38 0.25 -0.13 0.00 -1.39 0.00 0.00 29.97 29.09 2yu6 h ARG 42 CO 0.04 -0.74 -0.27 0.00 2.80 0.00 0.00 179.97 181.80 2yu6 h ALA 43 N -1.02 0.19 -1.56 2.80 0.00 0.37 0.59 119.26 120.63 2yu6 h ALA 43 Ca -0.10 0.22 0.45 0.00 0.00 0.00 0.00 54.91 55.48 2yu6 h ALA 43 Cb 0.92 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2yu6 h ALA 43 CO 0.11 -0.56 1.17 0.35 0.00 0.00 0.00 179.25 180.31 2yu6 h PHE 44 N -0.09 0.00 0.09 0.00 3.57 -1.37 1.31 116.94 120.44 2yu6 h PHE 44 Ca 0.29 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.44 2yu6 h PHE 44 Cb 0.55 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2yu6 h PHE 44 CO -0.62 0.00 -1.94 0.91 -2.23 0.00 0.00 178.31 174.43 2yu6 n TRP 45 N -3.96 1.04 1.84 0.41 8.01 0.19 -4.04 117.44 120.94 2yu6 n TRP 45 Ca 0.35 0.26 0.06 0.00 -1.31 0.00 0.00 57.50 56.86 2yu6 n TRP 45 Cb 1.65 -1.13 0.34 0.00 -2.01 0.00 0.00 31.31 30.16 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 -3.66 1.13 -4.04 -0.99 -0.58 0.12 -4.82 120.64 107.81 2yu6 n GLU 46 Ca -0.34 -0.21 -0.08 0.00 -0.42 0.00 0.00 57.16 56.12 2yu6 n GLU 46 Cb 0.97 -1.21 -0.10 0.00 -0.57 0.00 0.00 31.44 30.53 2yu6 n GLU 46 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2yu6 s SER 47 N -1.37 0.40 0.18 1.62 0.15 0.41 -4.71 113.70 110.38 2yu6 s SER 47 Ca 0.20 -0.88 -0.06 0.00 0.70 0.00 0.00 55.95 55.91 2yu6 s SER 47 Cb 0.09 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 2yu6 s SER 47 CO 0.15 -0.59 1.50 0.28 1.20 0.00 0.00 173.24 175.77 2yu6 h SER 48 N 3.22 0.75 -5.27 5.45 0.02 -1.82 -3.43 113.55 112.46 2yu6 h SER 48 Ca -0.34 -0.38 -0.08 0.00 -0.84 0.00 0.00 61.79 60.16 2yu6 h SER 48 Cb 1.16 -0.21 -0.09 0.00 0.14 0.00 0.00 62.40 63.39 2yu6 h SER 48 CO 0.62 1.12 -0.14 -0.63 -1.14 0.00 0.00 176.83 176.65 2yu6 s ILE 49 N -4.13 0.00 -0.29 3.27 1.01 -1.26 -4.97 121.20 114.83 2yu6 s ILE 49 Ca -0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 60.65 59.11 2yu6 s ILE 49 Cb 0.11 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.42 2yu6 s ILE 49 CO 0.85 0.00 0.09 -0.69 0.00 0.00 0.00 174.94 175.19 2yu6 s VAL 50 N -3.96 0.71 -0.21 2.92 1.01 -1.26 -2.79 120.40 116.82 2yu6 s VAL 50 Ca 0.24 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 2yu6 s VAL 50 Cb -0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 2yu6 s VAL 50 CO 0.10 -0.61 0.90 -0.31 0.00 0.00 0.00 175.10 175.18 2yu6 s TYR 51 N 1.71 3.36 -0.25 5.22 2.02 -0.20 -0.20 117.35 129.01 2yu6 s TYR 51 Ca 0.08 1.29 0.01 0.00 -0.37 0.00 0.00 57.07 58.08 2yu6 s TYR 51 Cb -0.17 -3.11 0.05 0.00 -0.40 0.00 0.00 41.96 38.32 2yu6 s TYR 51 CO -0.24 -0.38 -0.10 -0.51 -1.57 0.00 0.00 175.55 172.75 2yu6 s LEU 52 N 2.73 3.25 -0.51 -1.29 1.43 0.10 -0.86 118.68 123.53 2yu6 s LEU 52 Ca 0.39 -1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.12 2yu6 s LEU 52 Cb -0.16 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2yu6 s LEU 52 CO 0.09 -0.16 0.76 -0.69 0.23 0.00 0.00 176.35 176.58 2yu6 s VAL 53 N 1.20 4.66 0.16 -1.59 1.01 -0.48 -0.22 120.40 125.14 2yu6 s VAL 53 Ca -0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 2yu6 s VAL 53 Cb -0.18 -4.38 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 2yu6 s VAL 53 CO -0.06 -0.89 0.78 -0.36 0.00 0.00 0.00 175.10 174.58 2yu6 s PHE 54 N 3.22 3.90 -0.24 5.22 0.40 0.14 -2.15 117.98 128.47 2yu6 s PHE 54 Ca 0.23 1.63 -0.05 0.00 -0.60 0.00 0.00 56.93 58.14 2yu6 s PHE 54 Cb -0.15 -2.78 0.12 0.00 0.51 0.00 0.00 43.02 40.72 2yu6 s PHE 54 CO 0.17 0.49 0.46 -1.54 0.70 0.00 0.00 175.22 175.50 2yu6 s SER 55 N -1.04 -0.37 0.36 1.36 1.04 -0.94 -2.13 113.70 111.98 2yu6 s SER 55 Ca 0.36 0.82 -0.28 0.00 0.48 0.00 0.00 55.95 57.34 2yu6 s SER 55 Cb -0.23 1.51 -0.10 0.00 0.10 0.00 0.00 66.02 67.30 2yu6 s SER 55 CO 0.26 -0.25 1.30 -0.69 0.98 0.00 0.00 173.24 174.84 2yu6 s VAL 56 N 2.66 2.69 0.58 5.02 1.01 -1.26 -2.61 120.40 128.48 2yu6 s VAL 56 Ca 0.05 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2yu6 s VAL 56 Cb -0.13 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2yu6 s VAL 56 CO -0.16 0.13 1.08 0.00 0.00 0.00 0.00 175.10 176.15 2yu6 n GLN 57 N 0.51 1.11 0.00 2.72 6.02 -0.42 -3.02 117.38 124.30 2yu6 n GLN 57 Ca 0.02 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 2yu6 n GLN 57 Cb 0.43 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.42 2yu6 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yu6 n GLY 58 N 1.14 1.48 3.51 1.08 0.00 -1.26 -4.94 105.19 106.19 2yu6 n GLY 58 Ca 0.13 -0.03 -0.56 0.00 0.00 0.00 0.00 46.02 45.56 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu6 n SER 59 N 3.86 0.17 -1.17 1.61 2.88 -1.17 -4.82 113.62 115.00 2yu6 n SER 59 Ca 0.00 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.72 2yu6 n SER 59 Cb 0.00 -0.99 0.20 0.00 -0.75 0.00 0.00 64.21 62.67 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 60 N 1.76 2.17 3.47 0.46 0.00 -1.26 -4.86 105.19 106.93 2yu6 n GLY 60 Ca 0.19 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.85 1.87 -0.37 1.61 3.76 -1.26 -1.59 115.29 117.45 2yu6 s HIS 61 Ca 0.27 -1.09 -0.09 0.00 -0.15 0.00 0.00 55.06 53.99 2yu6 s HIS 61 Cb 0.20 -1.22 0.04 0.00 1.11 0.00 0.00 32.58 32.71 2yu6 s HIS 61 CO 0.08 -0.12 0.19 -0.06 -0.85 0.00 0.00 174.74 173.98 2yu6 s PHE 62 N -3.28 3.26 0.46 1.40 0.08 0.24 -4.65 117.98 115.48 2yu6 s PHE 62 Ca 0.31 -1.17 0.19 0.00 0.12 0.00 0.00 56.93 56.37 2yu6 s PHE 62 Cb 0.06 -2.46 1.01 0.00 -0.57 0.00 0.00 43.02 41.06 2yu6 s PHE 62 CO 0.15 -0.70 1.53 1.96 -0.10 0.00 0.00 175.22 178.05 2yu6 h GLN 63 N 8.37 0.00 0.00 0.44 7.50 -1.69 -3.03 115.11 126.71 2yu6 h GLN 63 Ca -0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.91 2yu6 h GLN 63 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.62 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 -1.28 0.87 3.13 3.46 0.00 -1.11 -4.50 105.19 105.76 2yu6 n GLY 64 Ca -0.01 -2.21 -0.17 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.95 1.05 -0.02 1.61 -0.71 -1.26 0.23 117.98 117.94 2yu6 s PHE 65 Ca 0.00 -0.44 0.01 0.00 -1.04 0.00 0.00 56.93 55.46 2yu6 s PHE 65 Cb 0.00 -0.61 0.01 0.00 -1.21 0.00 0.00 43.02 41.21 2yu6 s PHE 65 CO 0.00 0.02 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.75 2yu6 s SER 66 N -1.53 0.50 -0.28 1.98 0.01 0.69 -3.12 113.70 111.94 2yu6 s SER 66 Ca -0.03 -0.06 -0.20 0.00 1.31 0.00 0.00 55.95 56.97 2yu6 s SER 66 Cb -0.09 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2yu6 s SER 66 CO 0.02 -0.02 0.60 0.00 0.41 0.00 0.00 173.24 174.25 2yu6 s ARG 67 N 0.42 3.98 0.17 12.44 1.70 0.31 -0.72 118.95 137.24 2yu6 s ARG 67 Ca -0.04 0.35 -0.33 0.00 -0.47 0.00 0.00 55.73 55.24 2yu6 s ARG 67 Cb -0.07 -3.69 -0.16 0.00 -0.57 0.00 0.00 34.95 30.45 2yu6 s ARG 67 CO -0.01 -0.49 1.08 -0.12 -1.08 0.00 0.00 175.30 174.68 2yu6 n MET 68 N 5.76 0.95 -0.02 3.89 0.00 0.72 -1.13 117.12 127.29 2yu6 n MET 68 Ca -0.02 0.34 -0.02 0.00 -0.00 0.00 0.00 57.70 58.00 2yu6 n MET 68 Cb 0.49 -1.77 -0.04 0.00 0.00 0.00 0.00 33.22 31.90 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 1.91 3.74 -4.32 6.12 2.88 -1.23 -4.47 113.62 118.24 2yu6 n SER 69 Ca 0.15 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.51 2yu6 n SER 69 Cb 0.24 0.72 -0.10 0.00 -0.75 0.00 0.00 64.21 64.32 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 -3.47 2.45 0.43 -3.46 0.15 -1.25 -5.01 113.70 103.53 2yu6 s SER 70 Ca -0.02 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 55.58 2yu6 s SER 70 Cb 0.02 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 2yu6 s SER 70 CO 0.21 -0.16 0.77 -1.83 1.20 0.00 0.00 173.24 173.44 2yu6 s GLU 71 N -3.37 3.69 0.16 5.44 1.03 -1.26 -4.32 118.70 120.06 2yu6 s GLU 71 Ca 0.19 0.37 -0.30 0.00 0.03 0.00 0.00 54.97 55.26 2yu6 s GLU 71 Cb -0.02 -2.39 -0.07 0.00 -0.80 0.00 0.00 34.13 30.85 2yu6 s GLU 71 CO 0.06 -0.10 1.02 0.42 -1.33 0.00 0.00 175.26 175.32 2yu6 s ILE 72 N -2.51 4.16 0.00 1.83 1.01 -1.26 -4.72 121.20 119.71 2yu6 s ILE 72 Ca 0.50 1.88 0.00 0.00 0.00 0.00 0.00 60.65 63.03 2yu6 s ILE 72 Cb -0.10 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2yu6 s ILE 72 CO 0.37 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.24 2yu6 n GLY 73 N 2.03 -0.72 0.25 6.18 0.00 -1.23 -4.95 105.19 106.75 2yu6 n GLY 73 Ca 0.02 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.30 2yu6 n GLY 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2yu6 h ARG 74 N 0.00 0.14 -6.04 1.61 9.65 -1.86 -3.40 114.38 114.49 2yu6 h ARG 74 Ca 0.00 -0.01 -0.83 0.00 -1.10 0.00 0.00 59.98 58.04 2yu6 h ARG 74 Cb 0.00 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2yu6 h ARG 74 CO 0.00 0.09 0.82 0.39 2.80 0.00 0.00 179.97 184.07 2yu6 n GLU 75 N -5.26 0.34 -4.18 0.20 -0.58 -1.26 -4.91 120.64 105.00 2yu6 n GLU 75 Ca 0.11 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.86 2yu6 n GLU 75 Cb 0.39 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.47 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 3.49 1.05 -0.02 3.49 -0.14 -1.26 -1.97 119.74 124.37 2yu6 s LYS 76 Ca 1.05 -1.52 -0.29 0.00 -1.36 0.00 0.00 55.97 53.85 2yu6 s LYS 76 Cb -1.37 0.22 0.10 0.00 -1.68 0.00 0.00 37.83 35.09 2yu6 s LYS 76 CO 0.76 -0.30 0.83 0.45 -0.76 0.00 0.00 175.35 176.32 2yu6 s SER 77 N -3.10 -0.46 -0.20 2.83 0.15 -1.26 -5.01 113.70 106.65 2yu6 s SER 77 Ca 0.30 0.23 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 2yu6 s SER 77 Cb 0.07 0.43 -0.11 0.00 -1.71 0.00 0.00 66.02 64.71 2yu6 s SER 77 CO 0.06 -0.61 -0.13 0.00 1.20 0.00 0.00 173.24 173.76 2yu6 n GLN 78 N 0.19 0.53 -1.45 5.44 10.64 -1.26 -4.87 117.38 126.61 2yu6 n GLN 78 Ca -0.12 0.42 -0.47 0.00 -1.83 0.00 0.00 57.00 55.00 2yu6 n GLN 78 Cb 0.60 -1.62 -0.09 0.00 -0.86 0.00 0.00 30.24 28.27 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2yu6 n ASP 79 N -4.45 1.41 -3.69 2.61 8.00 -1.26 -4.83 116.55 114.33 2yu6 n ASP 79 Ca -0.27 0.22 -0.05 0.00 0.71 0.00 0.00 54.79 55.41 2yu6 n ASP 79 Cb 0.58 -1.16 -0.01 0.00 -0.02 0.00 0.00 41.12 40.51 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 8.49 -0.11 -0.17 1.24 0.23 -1.26 -5.01 118.94 122.35 2yu6 s TRP 80 Ca 1.17 -0.27 0.05 0.00 -2.03 0.00 0.00 56.10 55.02 2yu6 s TRP 80 Cb -0.95 0.68 -0.22 0.00 0.03 0.00 0.00 33.47 33.00 2yu6 s TRP 80 CO 0.48 -1.00 0.17 0.41 0.96 0.00 0.00 176.95 177.96 2yu6 n GLY 81 N -0.49 -0.67 2.83 0.98 0.00 -1.26 -4.88 105.19 101.69 2yu6 n GLY 81 Ca -0.05 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -6.36 2.60 0.50 1.61 0.01 -1.26 -5.00 113.70 105.79 2yu6 s SER 82 Ca -0.20 -0.59 0.15 0.00 1.31 0.00 0.00 55.95 56.62 2yu6 s SER 82 Cb 0.07 -0.74 1.18 0.00 0.21 0.00 0.00 66.02 66.75 2yu6 s SER 82 CO 0.74 -0.22 2.11 0.00 0.41 0.00 0.00 173.24 176.28 2yu6 h ALA 83 N 8.19 1.91 -1.37 1.44 0.00 -1.95 -2.81 119.26 124.66 2yu6 h ALA 83 Ca -0.21 -0.04 0.47 0.00 0.00 0.00 0.00 54.91 55.12 2yu6 h ALA 83 Cb 1.12 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2yu6 h ALA 83 CO 0.36 0.07 0.89 0.41 0.00 0.00 0.00 179.25 180.98 2yu6 n GLY 84 N -1.41 -0.82 3.05 0.00 0.00 -1.26 -4.57 105.19 100.18 2yu6 n GLY 84 Ca -0.03 0.72 -0.36 0.00 0.00 0.00 0.00 46.02 46.36 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yu6 n LEU 85 N -4.56 -5.17 -3.23 0.99 4.77 -1.06 -5.00 117.00 103.74 2yu6 n LEU 85 Ca 0.39 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.53 2yu6 n LEU 85 Cb 1.54 -0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 2yu6 n LEU 85 CO 0.20 -5.50 0.04 -0.83 -1.33 0.00 0.00 177.39 169.96 2yu6 s GLY 86 N -1.12 -1.03 0.00 -0.72 0.00 -1.26 -5.07 107.32 98.13 2yu6 s GLY 86 Ca 0.42 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2yu6 s GLY 86 CO 0.80 3.48 0.00 0.61 0.00 0.00 0.00 173.10 177.99 2yu6 n GLY 87 N 4.60 1.98 3.87 0.20 0.00 -1.26 -4.67 105.19 109.91 2yu6 n GLY 87 Ca 0.09 -0.76 -0.29 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 5.04 0.03 1.61 1.01 -0.83 -4.45 120.40 122.81 2yu6 s VAL 88 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 2yu6 s VAL 88 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2yu6 s VAL 88 CO 0.00 0.06 0.16 0.72 0.00 0.00 0.00 175.10 176.04 2yu6 s PHE 89 N -1.55 0.09 0.70 5.22 -0.71 -1.12 -3.56 117.98 117.05 2yu6 s PHE 89 Ca 0.33 -0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 55.79 2yu6 s PHE 89 Cb -0.12 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.64 2yu6 s PHE 89 CO 0.26 -0.39 1.07 0.15 -1.34 0.00 0.00 175.22 174.97 2yu6 s LYS 90 N -2.38 2.92 -0.13 1.99 1.02 -1.26 -0.17 119.74 121.72 2yu6 s LYS 90 Ca -0.07 0.68 -0.09 0.00 0.02 0.00 0.00 55.97 56.52 2yu6 s LYS 90 Cb -0.02 -2.01 0.04 0.00 -0.52 0.00 0.00 37.83 35.32 2yu6 s LYS 90 CO -0.03 -1.04 0.32 0.14 -0.92 0.00 0.00 175.35 173.82 2yu6 s VAL 91 N -3.20 -0.02 -0.47 3.17 -7.23 -0.71 -3.52 120.40 108.42 2yu6 s VAL 91 Ca 0.58 0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.62 2yu6 s VAL 91 Cb -0.12 -0.47 0.04 0.00 0.56 0.00 0.00 36.38 36.38 2yu6 s VAL 91 CO 0.54 0.03 0.65 -0.70 -0.31 0.00 0.00 175.10 175.30 2yu6 s GLU 92 N 0.84 3.22 -0.12 4.82 2.56 -0.29 -4.76 118.70 124.97 2yu6 s GLU 92 Ca -0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 54.97 54.07 2yu6 s GLU 92 Cb -0.06 -4.01 -0.01 0.00 2.00 0.00 0.00 34.13 32.05 2yu6 s GLU 92 CO -0.06 -1.10 1.00 -1.58 -0.56 0.00 0.00 175.26 172.96 2yu6 s TRP 93 N 2.80 3.49 -0.12 5.30 0.52 -1.26 -0.53 118.94 129.14 2yu6 s TRP 93 Ca 0.20 1.56 -0.09 0.00 0.02 0.00 0.00 56.10 57.79 2yu6 s TRP 93 Cb -0.16 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 28.94 2yu6 s TRP 93 CO 0.16 -0.26 -0.18 -0.89 0.02 0.00 0.00 176.95 175.81 2yu6 n ILE 94 N 4.65 1.13 -5.05 2.03 -0.00 -1.18 -4.97 119.36 115.97 2yu6 n ILE 94 Ca 0.09 0.26 -0.30 0.00 -0.00 0.00 0.00 62.75 62.80 2yu6 n ILE 94 Cb 0.48 -2.19 -0.17 0.00 -0.00 0.00 0.00 39.64 37.76 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 -2.13 2.55 -0.30 0.38 1.81 -1.26 -5.01 118.95 114.99 2yu6 s ARG 95 Ca -0.15 -0.76 0.11 0.00 -1.72 0.00 0.00 55.73 53.21 2yu6 s ARG 95 Cb 0.02 -2.01 0.66 0.00 -0.45 0.00 0.00 34.95 33.17 2yu6 s ARG 95 CO 0.22 0.19 1.68 1.63 -0.68 0.00 0.00 175.30 178.34 2yu6 n LYS 96 N 3.44 3.10 -2.88 3.54 5.02 -1.26 -4.10 118.16 125.03 2yu6 n LYS 96 Ca -0.19 -3.06 -0.27 0.00 -2.02 0.00 0.00 58.31 52.77 2yu6 n LYS 96 Cb 0.53 -2.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 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 -3.04 3.55 -0.44 1.97 2.56 -1.26 -4.96 118.70 117.08 2yu6 s GLU 97 Ca 0.51 0.07 -0.17 0.00 0.00 0.00 0.00 54.97 55.39 2yu6 s GLU 97 Cb 0.42 -2.46 0.04 0.00 2.00 0.00 0.00 34.13 34.12 2yu6 s GLU 97 CO 0.10 -0.08 0.43 -1.12 -0.56 0.00 0.00 175.26 174.02 2yu6 s SER 98 N -3.96 6.17 -0.29 -1.70 0.01 -1.26 -4.14 113.70 108.53 2yu6 s SER 98 Ca 0.46 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 2yu6 s SER 98 Cb -0.10 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2yu6 s SER 98 CO 0.41 -0.61 0.33 -0.22 0.41 0.00 0.00 173.24 173.55 2yu6 s LEU 99 N 2.01 4.12 0.37 2.44 2.96 -1.14 -4.81 118.68 124.63 2yu6 s LEU 99 Ca 0.09 0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.84 2yu6 s LEU 99 Cb -0.19 -2.33 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 2yu6 s LEU 99 CO 0.11 -0.19 1.20 -2.16 -1.32 0.00 0.00 176.35 174.00 2yu6 s PRO 100 N 1.98 4.19 0.61 0.98 0.04 -1.26 0.79 135.00 142.33 2yu6 s PRO 100 Ca 0.12 1.95 0.31 0.00 0.04 0.00 0.00 61.00 63.42 2yu6 s PRO 100 Cb -0.16 -2.84 1.72 0.00 0.04 0.00 0.00 34.50 33.26 2yu6 s PRO 100 CO 0.11 -0.24 2.07 0.74 0.04 0.00 0.00 177.00 179.71 2yu6 h PHE 101 N 2.95 0.00 0.00 0.56 0.04 -1.65 -0.34 116.94 118.51 2yu6 h PHE 101 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 2yu6 h PHE 101 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2yu6 h PHE 101 CO 0.55 0.00 0.23 -0.56 -0.60 0.00 0.00 178.31 177.94 2yu6 h GLN 102 N 0.00 0.00 0.16 1.51 3.07 -1.90 0.42 115.11 118.36 2yu6 h GLN 102 Ca 0.08 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.57 2yu6 h GLN 102 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.15 2yu6 h GLN 102 CO -0.00 0.00 -1.16 0.74 0.09 0.00 0.00 178.83 178.50 2yu6 h PHE 103 N 0.00 0.61 -0.01 0.06 -1.00 -1.43 -3.31 116.94 111.86 2yu6 h PHE 103 Ca 0.00 -0.45 0.00 0.00 2.81 0.00 0.00 57.97 60.33 2yu6 h PHE 103 Cb 0.46 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2yu6 h PHE 103 CO 0.00 1.45 -0.07 0.00 -1.61 0.00 0.00 178.31 178.08 2yu6 n ALA 104 N -2.77 2.71 -0.45 2.45 0.00 -0.09 -4.24 120.51 118.10 2yu6 n ALA 104 Ca -0.18 -0.43 0.38 0.00 0.00 0.00 0.00 53.44 53.21 2yu6 n ALA 104 Cb 0.91 -1.17 0.68 0.00 0.00 0.00 0.00 19.45 19.88 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 1.99 0.36 0.17 0.00 6.17 -0.35 0.87 115.15 124.34 2yu6 h HIS 105 Ca 0.00 0.01 -0.30 0.00 0.71 0.00 0.00 60.37 60.79 2yu6 h HIS 105 Cb 0.49 -0.09 0.01 0.00 2.52 0.00 0.00 27.41 30.34 2yu6 h HIS 105 CO 0.00 -0.09 -1.40 1.12 0.71 0.00 0.00 177.93 178.27 2yu6 h HIS 106 N 0.10 0.64 -4.05 5.26 2.07 -1.84 -3.46 115.15 113.86 2yu6 h HIS 106 Ca 0.77 -0.47 -0.52 0.00 -2.85 0.00 0.00 60.37 57.30 2yu6 h HIS 106 Cb 2.59 -0.03 0.09 0.00 2.57 0.00 0.00 27.41 32.63 2yu6 h HIS 106 CO -0.00 1.41 0.48 -0.51 -3.07 0.00 0.00 177.93 176.23 2yu6 s LEU 107 N -7.25 3.84 0.00 6.12 1.43 0.30 -5.02 118.68 118.09 2yu6 s LEU 107 Ca -0.07 2.34 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 2yu6 s LEU 107 Cb 0.06 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 2yu6 s LEU 107 CO 0.89 -1.24 0.23 0.18 0.23 0.00 0.00 176.35 176.64 2yu6 n LEU 108 N -1.04 0.00 -3.80 1.79 4.77 -1.26 -3.18 117.00 114.27 2yu6 n LEU 108 Ca 0.10 -2.31 -0.29 0.00 -0.03 0.00 0.00 56.01 53.48 2yu6 n LEU 108 Cb 0.49 1.33 -0.16 0.00 -2.33 0.00 0.00 43.42 42.75 2yu6 n LEU 108 CO 0.46 -0.40 -0.36 0.21 -1.33 0.00 0.00 177.39 175.96 2yu6 s ASN 109 N -2.71 3.73 0.11 -1.43 3.84 0.24 -4.51 114.94 114.22 2yu6 s ASN 109 Ca 0.28 -1.34 0.18 0.00 0.21 0.00 0.00 52.86 52.20 2yu6 s ASN 109 Cb 0.01 -0.91 0.77 0.00 -0.55 0.00 0.00 41.25 40.57 2yu6 s ASN 109 CO 0.20 -0.34 1.57 -0.81 -2.79 0.00 0.00 177.10 174.93 2yu6 n PRO 110 N 4.83 0.08 0.02 0.43 -0.04 -1.26 -1.30 135.00 137.76 2yu6 n PRO 110 Ca -0.06 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2yu6 n PRO 110 Cb 0.44 -1.66 0.48 0.00 -0.04 0.00 0.00 33.50 32.72 2yu6 n PRO 110 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2yu6 n TRP 111 N -1.82 0.19 -2.58 0.54 7.02 -1.26 -3.88 117.44 115.64 2yu6 n TRP 111 Ca 0.03 0.06 -0.16 0.00 -1.02 0.00 0.00 57.50 56.41 2yu6 n TRP 111 Cb 0.19 -0.54 0.02 0.00 -2.42 0.00 0.00 31.31 28.57 2yu6 n TRP 111 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2yu6 n ASN 112 N -1.67 2.75 -2.55 -0.99 5.15 -0.90 -4.95 115.26 112.10 2yu6 n ASN 112 Ca 0.06 -3.08 -0.10 0.00 -0.60 0.00 0.00 54.58 50.86 2yu6 n ASN 112 Cb 0.36 -0.50 0.05 0.00 -0.53 0.00 0.00 39.78 39.17 2yu6 n ASN 112 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2yu6 n ASP 113 N -0.25 -2.89 -3.28 1.20 2.03 -1.25 -2.96 116.55 109.16 2yu6 n ASP 113 Ca 0.21 -0.41 -0.21 0.00 0.52 0.00 0.00 54.79 54.90 2yu6 n ASP 113 Cb 0.76 -3.43 -0.04 0.00 -0.72 0.00 0.00 41.12 37.70 2yu6 n ASP 113 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2yu6 n ASN 114 N -2.41 -1.24 -4.76 1.67 6.94 -0.42 -4.84 115.26 110.20 2yu6 n ASN 114 Ca -0.14 -0.45 -0.40 0.00 -0.02 0.00 0.00 54.58 53.57 2yu6 n ASN 114 Cb 0.60 -1.13 -0.06 0.00 -2.36 0.00 0.00 39.78 36.83 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2yu6 s LYS 115 N -5.37 4.70 0.33 -3.83 -0.14 -0.64 -4.43 119.74 110.37 2yu6 s LYS 115 Ca 0.42 1.31 -0.25 0.00 -1.36 0.00 0.00 55.97 56.09 2yu6 s LYS 115 Cb -0.24 -3.26 -0.14 0.00 -1.68 0.00 0.00 37.83 32.50 2yu6 s LYS 115 CO 0.51 0.54 0.58 1.17 -0.76 0.00 0.00 175.35 177.39 2yu6 n LYS 116 N 1.52 0.51 -0.01 1.68 4.81 -1.26 0.82 118.16 126.24 2yu6 n LYS 116 Ca -0.04 0.18 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 2yu6 n LYS 116 Cb 0.48 -1.38 -0.07 0.00 0.02 0.00 0.00 35.03 34.08 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yu6 h VAL 117 N 1.04 0.09 -1.96 3.15 2.07 -1.78 0.10 116.25 118.97 2yu6 h VAL 117 Ca -0.36 0.00 0.57 0.00 0.82 0.00 0.00 66.70 67.73 2yu6 h VAL 117 Cb 1.40 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2yu6 h VAL 117 CO 0.54 0.00 1.40 0.00 0.02 0.00 0.00 177.57 179.54 2yu6 n GLN 118 N -5.44 -0.00 -1.36 1.57 -0.00 -1.26 -2.45 117.38 108.45 2yu6 n GLN 118 Ca -0.05 1.10 -0.38 0.00 -0.00 0.00 0.00 57.00 57.67 2yu6 n GLN 118 Cb 0.37 -2.51 -0.02 0.00 -0.00 0.00 0.00 30.24 28.08 2yu6 n GLN 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2yu6 n ILE 119 N -3.97 3.43 -4.04 -0.39 5.41 0.36 -4.85 119.36 115.31 2yu6 n ILE 119 Ca 0.45 -2.45 -0.10 0.00 1.00 0.00 0.00 62.75 61.65 2yu6 n ILE 119 Cb 2.01 -2.51 -0.11 0.00 -0.71 0.00 0.00 39.64 38.32 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2yu6 s SER 120 N 3.07 0.53 0.51 4.38 1.04 -1.02 -4.87 113.70 117.34 2yu6 s SER 120 Ca 0.56 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2yu6 s SER 120 Cb 0.15 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2yu6 s SER 120 CO -0.04 -0.34 0.19 0.00 0.98 0.00 0.00 173.24 174.03 2yu6 s ARG 121 N -2.11 2.22 0.33 4.02 1.70 -1.26 -4.98 118.95 118.87 2yu6 s ARG 121 Ca -0.08 -2.18 -0.29 0.00 -0.47 0.00 0.00 55.73 52.71 2yu6 s ARG 121 Cb -0.06 -1.82 -0.12 0.00 -0.57 0.00 0.00 34.95 32.39 2yu6 s ARG 121 CO -0.02 -0.44 1.42 -0.40 -1.08 0.00 0.00 175.30 174.77 2yu6 n ASP 122 N -1.47 3.26 -3.58 -2.89 5.68 -1.25 -2.50 116.55 113.81 2yu6 n ASP 122 Ca -0.10 1.19 -0.21 0.00 -0.50 0.00 0.00 54.79 55.17 2yu6 n ASP 122 Cb 0.66 -1.54 0.07 0.00 -1.14 0.00 0.00 41.12 39.17 2yu6 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yu6 n GLY 123 N 1.14 -0.43 3.55 6.12 0.00 -0.31 -4.92 105.19 110.34 2yu6 n GLY 123 Ca 0.05 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.92 3.82 0.22 1.61 2.00 -1.04 -4.95 119.66 115.40 2yu6 s GLN 124 Ca 0.28 -0.42 -0.30 0.00 -2.00 0.00 0.00 55.36 52.92 2yu6 s GLN 124 Cb -0.13 -3.15 -0.09 0.00 0.80 0.00 0.00 33.01 30.44 2yu6 s GLN 124 CO 0.75 0.16 1.37 -1.21 -0.50 0.00 0.00 175.29 175.86 2yu6 s GLU 125 N 0.64 4.34 -0.09 1.67 2.02 -1.26 -2.43 118.70 123.58 2yu6 s GLU 125 Ca 0.02 2.16 0.02 0.00 0.02 0.00 0.00 54.97 57.19 2yu6 s GLU 125 Cb -0.14 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.95 2yu6 s GLU 125 CO 0.02 -0.32 -0.14 -1.17 0.02 0.00 0.00 175.26 173.67 2yu6 s LEU 126 N -0.24 1.65 0.30 1.80 2.96 -0.74 -4.93 118.68 119.48 2yu6 s LEU 126 Ca 0.58 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 2yu6 s LEU 126 Cb -0.39 -0.95 -0.13 0.00 0.50 0.00 0.00 46.19 45.21 2yu6 s LEU 126 CO 0.40 0.02 1.20 1.21 -1.32 0.00 0.00 176.35 177.86 2yu6 n GLU 127 N 4.04 1.79 0.00 1.98 2.13 -1.26 -4.00 120.64 125.32 2yu6 n GLU 127 Ca -0.20 0.63 0.08 0.00 0.66 0.00 0.00 57.16 58.32 2yu6 n GLU 127 Cb 0.51 -2.14 0.43 0.00 0.27 0.00 0.00 31.44 30.52 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 0.87 0.39 -0.06 5.31 -0.04 -1.26 -1.10 135.00 139.12 2yu6 n PRO 128 Ca 0.08 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 2yu6 n PRO 128 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.11 0.04 0.54 4.15 -1.97 -3.31 115.11 114.66 2yu6 h GLN 129 Ca 0.00 -0.19 -0.30 0.00 0.77 0.00 0.00 58.65 58.93 2yu6 h GLN 129 Cb 0.05 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 2yu6 h GLN 129 CO 0.00 1.09 -1.64 -0.39 -1.93 0.00 0.00 178.83 175.96 2yu6 h VAL 130 N -0.59 0.97 0.00 2.39 -1.51 -1.83 -3.30 116.25 112.38 2yu6 h VAL 130 Ca -0.36 -2.75 -0.03 0.00 -1.23 0.00 0.00 66.70 62.33 2yu6 h VAL 130 Cb 1.58 2.54 -0.00 0.00 -2.13 0.00 0.00 31.29 33.27 2yu6 h VAL 130 CO -0.08 0.66 -0.16 1.23 -1.23 0.00 0.00 177.57 177.99 2yu6 h GLY 131 N 2.79 0.00 0.21 5.19 0.00 -1.32 -1.58 103.07 108.35 2yu6 h GLY 131 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2yu6 h GLY 131 CO 0.10 0.00 -0.18 1.05 0.00 0.00 0.00 176.54 177.51 2yu6 h GLU 132 N 0.00 0.08 0.00 4.80 4.11 -1.68 -3.24 114.58 118.64 2yu6 h GLU 132 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2yu6 h GLU 132 Cb 0.43 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2yu6 h GLU 132 CO 0.02 1.01 0.00 0.00 0.07 0.00 0.00 179.01 180.11 2yu6 n GLN 133 N -4.52 0.00 0.06 1.06 10.64 -1.17 -2.43 117.38 121.03 2yu6 n GLN 133 Ca -0.11 0.23 -0.09 0.00 -1.83 0.00 0.00 57.00 55.20 2yu6 n GLN 133 Cb 0.53 -1.51 -0.13 0.00 -0.86 0.00 0.00 30.24 28.28 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 0.10 0.00 2.61 5.85 -1.33 -3.34 115.31 119.21 2yu6 h LEU 134 Ca 0.00 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2yu6 h LEU 134 Cb 0.28 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.28 2yu6 h LEU 134 CO 0.00 1.10 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.74 2yu6 h LEU 135 N 0.02 0.34 -1.67 2.25 3.38 -1.50 -3.19 115.31 114.93 2yu6 h LEU 135 Ca -0.09 -0.78 0.16 0.00 0.09 0.00 0.00 57.88 57.27 2yu6 h LEU 135 Cb 1.86 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 2yu6 h LEU 135 CO 0.14 1.07 0.68 0.06 0.09 0.00 0.00 178.44 180.48 2yu6 h GLN 136 N -0.36 0.00 -0.87 1.13 3.07 -1.68 0.59 115.11 116.99 2yu6 h GLN 136 Ca -0.05 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.85 2yu6 h GLN 136 Cb 1.13 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.59 2yu6 h GLN 136 CO 0.08 0.00 0.46 -0.07 0.09 0.00 0.00 178.83 179.38 2yu6 h LEU 137 N 0.00 0.55 -2.00 0.06 3.38 -1.67 0.22 115.31 115.85 2yu6 h LEU 137 Ca 0.27 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.52 2yu6 h LEU 137 Cb 1.62 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 2yu6 h LEU 137 CO -0.00 0.22 0.47 -0.50 0.09 0.00 0.00 178.44 178.72 2yu6 h TRP 138 N 0.64 0.00 0.00 1.13 6.55 -1.09 0.51 115.95 123.68 2yu6 h TRP 138 Ca 0.48 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 60.29 2yu6 h TRP 138 Cb 0.70 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.99 2yu6 h TRP 138 CO -0.08 0.00 -0.17 0.93 -1.05 0.00 0.00 178.44 178.07 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.73 -2.50 114.58 116.92 2yu6 h GLU 139 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2yu6 h GLU 139 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2yu6 h GLU 139 CO -0.00 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 0.02 -3.53 114.38 116.28 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2yu6 h ARG 140 CO 0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.20