#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 -0.40 -4.23 1.61 7.64 -1.26 -4.84 113.62 112.15 2yu6 n SER 2 Ca 0.00 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.50 2yu6 n SER 2 Cb 0.00 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 2yu6 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu6 s SER 3 N -4.00 6.65 -0.00 6.43 0.15 -1.26 -4.94 113.70 116.73 2yu6 s SER 3 Ca 0.11 -3.63 -0.01 0.00 0.70 0.00 0.00 55.95 53.12 2yu6 s SER 3 Cb -0.06 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2yu6 s SER 3 CO 0.75 -0.24 0.05 0.61 1.20 0.00 0.00 173.24 175.60 2yu6 n GLY 4 N 2.56 0.60 3.52 9.45 0.00 -1.26 -5.05 105.19 115.00 2yu6 n GLY 4 Ca 0.22 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2yu6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu6 n SER 5 N -0.17 1.02 -4.07 1.61 2.88 -1.26 -4.83 113.62 108.80 2yu6 n SER 5 Ca 0.00 -2.00 -0.32 0.00 -1.33 0.00 0.00 58.87 55.22 2yu6 n SER 5 Cb 0.02 -1.55 -0.15 0.00 -0.75 0.00 0.00 64.21 61.78 2yu6 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 6 N 8.06 4.69 0.00 -3.46 0.15 -1.26 -4.83 113.70 117.06 2yu6 s SER 6 Ca 0.80 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2yu6 s SER 6 Cb -0.11 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2yu6 s SER 6 CO 0.16 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2yu6 n GLY 7 N 4.41 -1.78 3.83 9.45 0.00 -1.26 -4.95 105.19 114.89 2yu6 n GLY 7 Ca -0.06 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.27 4.58 0.58 1.61 0.11 -1.26 -2.12 120.40 121.64 2yu6 s VAL 8 Ca 0.00 1.16 0.09 0.00 -2.93 0.00 0.00 61.98 60.30 2yu6 s VAL 8 Cb 0.00 -3.69 0.08 0.00 -1.53 0.00 0.00 36.38 31.24 2yu6 s VAL 8 CO 0.00 -0.09 0.72 -0.13 -3.33 0.00 0.00 175.10 172.28 2yu6 s ARG 9 N -2.71 2.27 -0.03 1.54 1.81 -0.69 -4.91 118.95 116.24 2yu6 s ARG 9 Ca 0.52 -1.74 -0.03 0.00 -1.72 0.00 0.00 55.73 52.76 2yu6 s ARG 9 Cb -0.12 -2.53 0.01 0.00 -0.45 0.00 0.00 34.95 31.86 2yu6 s ARG 9 CO 0.18 -0.84 0.09 0.71 -0.68 0.00 0.00 175.30 174.76 2yu6 s TYR 10 N -2.71 -0.06 -0.18 -0.53 1.51 -1.26 -0.71 117.35 113.42 2yu6 s TYR 10 Ca 0.56 0.14 -0.13 0.00 -1.01 0.00 0.00 57.07 56.63 2yu6 s TYR 10 Cb -0.05 0.01 0.05 0.00 -0.11 0.00 0.00 41.96 41.86 2yu6 s TYR 10 CO 0.36 -0.09 0.45 -0.06 -1.11 0.00 0.00 175.55 175.10 2yu6 s PHE 11 N -0.24 -0.57 -0.27 2.71 0.08 -0.45 -2.64 117.98 116.59 2yu6 s PHE 11 Ca -0.03 1.29 -0.20 0.00 0.12 0.00 0.00 56.93 58.11 2yu6 s PHE 11 Cb -0.02 0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.65 2yu6 s PHE 11 CO 0.00 -0.30 0.63 0.42 -0.10 0.00 0.00 175.22 175.88 2yu6 s ILE 12 N 0.77 4.96 -0.28 0.64 -1.09 -1.08 -1.69 121.20 123.43 2yu6 s ILE 12 Ca -0.04 1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 59.40 2yu6 s ILE 12 Cb -0.05 -3.96 0.05 0.00 -1.58 0.00 0.00 42.46 36.92 2yu6 s ILE 12 CO -0.06 -0.04 -0.04 -0.04 -1.23 0.00 0.00 174.94 173.54 2yu6 s MET 13 N 2.55 2.43 0.24 2.79 -1.94 -0.75 -1.10 119.30 123.53 2yu6 s MET 13 Ca 0.26 -1.25 -0.10 0.00 -1.71 0.00 0.00 55.69 52.89 2yu6 s MET 13 Cb -0.15 -3.08 -0.07 0.00 2.01 0.00 0.00 34.83 33.54 2yu6 s MET 13 CO 0.10 -0.58 0.56 0.15 -0.01 0.00 0.00 175.02 175.24 2yu6 s LYS 14 N 1.22 3.80 0.03 2.03 -0.14 -1.26 -2.30 119.74 123.12 2yu6 s LYS 14 Ca -0.06 0.28 0.08 0.00 -1.36 0.00 0.00 55.97 54.91 2yu6 s LYS 14 Cb -0.19 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.30 2yu6 s LYS 14 CO -0.02 0.29 -0.23 -1.54 -0.76 0.00 0.00 175.35 173.09 2yu6 s SER 15 N -2.43 2.69 0.06 2.83 1.04 -1.18 -4.79 113.70 111.92 2yu6 s SER 15 Ca 0.48 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 56.13 2yu6 s SER 15 Cb -0.11 -0.24 -0.17 0.00 0.10 0.00 0.00 66.02 65.60 2yu6 s SER 15 CO 0.22 0.21 1.58 0.28 0.98 0.00 0.00 173.24 176.51 2yu6 h SER 16 N 4.99 -0.21 -3.00 7.02 0.02 -1.96 -1.09 113.55 119.33 2yu6 h SER 16 Ca -0.43 -0.08 -0.52 0.00 -0.84 0.00 0.00 61.79 59.91 2yu6 h SER 16 Cb 1.15 0.05 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 2yu6 h SER 16 CO 0.44 -0.04 -0.56 0.20 -1.14 0.00 0.00 176.83 175.73 2yu6 s ASN 17 N -5.08 2.67 -0.11 3.07 0.02 -1.26 -4.42 114.94 109.82 2yu6 s ASN 17 Ca -0.14 -1.52 -0.26 0.00 -1.02 0.00 0.00 52.86 49.92 2yu6 s ASN 17 Cb 0.04 0.21 -0.22 0.00 0.02 0.00 0.00 41.25 41.30 2yu6 s ASN 17 CO 0.64 -0.76 0.78 0.25 0.02 0.00 0.00 177.10 178.03 2yu6 h LEU 18 N 1.92 -0.01 -0.75 0.60 7.12 -1.95 -3.36 115.31 118.88 2yu6 h LEU 18 Ca -0.39 -0.81 0.07 0.00 0.13 0.00 0.00 57.88 56.88 2yu6 h LEU 18 Cb 1.26 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.30 2yu6 h LEU 18 CO 0.65 0.85 -0.44 -1.14 -0.13 0.00 0.00 178.44 178.22 2yu6 n ARG 19 N -4.68 -0.33 -0.31 1.25 3.00 -1.26 0.99 116.66 115.32 2yu6 n ARG 19 Ca -0.09 1.31 0.29 0.00 -0.00 0.00 0.00 57.85 59.36 2yu6 n ARG 19 Cb 0.40 -1.93 0.53 0.00 0.00 0.00 0.00 32.46 31.45 2yu6 n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2yu6 n ASN 20 N -4.73 0.28 -0.20 6.15 3.02 -1.26 0.20 115.26 118.72 2yu6 n ASN 20 Ca 0.02 1.59 -0.09 0.00 -0.03 0.00 0.00 54.58 56.06 2yu6 n ASN 20 Cb 0.20 -0.75 0.02 0.00 -0.61 0.00 0.00 39.78 38.63 2yu6 n ASN 20 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yu6 h LEU 21 N 0.00 0.99 -1.29 3.41 5.85 0.48 -2.87 115.31 121.88 2yu6 h LEU 21 Ca 0.79 -0.31 0.29 0.00 0.84 0.00 0.00 57.88 59.49 2yu6 h LEU 21 Cb 2.04 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 42.70 2yu6 h LEU 21 CO -0.76 1.06 0.68 -0.33 -0.34 0.00 0.00 178.44 178.75 2yu6 h GLU 22 N 0.90 0.36 -0.81 1.25 5.08 0.28 0.50 114.58 122.14 2yu6 h GLU 22 Ca 0.16 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2yu6 h GLU 22 Cb 0.55 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2yu6 h GLU 22 CO 0.03 0.24 0.53 0.82 -1.00 0.00 0.00 179.01 179.62 2yu6 h ILE 23 N 0.37 1.07 0.00 3.13 5.03 -1.39 0.12 117.51 125.84 2yu6 h ILE 23 Ca 0.65 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 65.07 2yu6 h ILE 23 Cb 1.65 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 2yu6 h ILE 23 CO -0.37 0.17 0.00 -1.28 -0.68 0.00 0.00 178.15 175.99 2yu6 h SER 24 N 0.92 0.00 0.53 1.72 0.87 0.04 0.17 113.55 117.80 2yu6 h SER 24 Ca 0.34 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.61 2yu6 h SER 24 Cb 0.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2yu6 h SER 24 CO -0.11 0.00 -1.58 1.56 -0.53 0.00 0.00 176.83 176.17 2yu6 h GLN 25 N 0.00 0.08 0.00 2.24 4.20 -0.42 -3.05 115.11 118.16 2yu6 h GLN 25 Ca 0.00 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.45 2yu6 h GLN 25 Cb 0.83 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 2yu6 h GLN 25 CO 0.00 0.78 -1.33 1.04 -0.67 0.00 0.00 178.83 178.65 2yu6 n GLN 26 N -3.23 0.54 0.01 1.46 1.13 0.23 -4.54 117.38 112.98 2yu6 n GLN 26 Ca -0.15 0.28 -0.02 0.00 -1.94 0.00 0.00 57.00 55.16 2yu6 n GLN 26 Cb 1.03 -1.49 0.24 0.00 0.11 0.00 0.00 30.24 30.12 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 0.49 -0.24 -1.09 1.79 -0.86 -3.47 116.57 112.18 2yu6 h LYS 27 Ca -0.19 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2yu6 h LYS 27 Cb 1.10 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2yu6 h LYS 27 CO -0.11 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 2yu6 n GLY 28 N -0.55 0.84 3.17 3.86 0.00 -1.10 -5.00 105.19 106.41 2yu6 n GLY 28 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.24 0.11 0.01 -0.61 -5.25 -1.25 -2.46 121.20 109.51 2yu6 s ILE 29 Ca 0.00 -0.92 0.01 0.00 -0.99 0.00 0.00 60.65 58.75 2yu6 s ILE 29 Cb 0.00 -0.90 -0.01 0.00 2.95 0.00 0.00 42.46 44.50 2yu6 s ILE 29 CO 0.00 -0.51 -0.03 0.86 -1.79 0.00 0.00 174.94 173.48 2yu6 s TRP 30 N -2.55 0.22 -0.24 1.37 -0.11 0.63 -3.13 118.94 115.13 2yu6 s TRP 30 Ca -0.05 -0.15 0.02 0.00 1.22 0.00 0.00 56.10 57.14 2yu6 s TRP 30 Cb -0.01 -0.14 0.06 0.00 -1.50 0.00 0.00 33.47 31.87 2yu6 s TRP 30 CO -0.04 -0.04 -0.10 -1.54 -4.62 0.00 0.00 176.95 170.62 2yu6 s SER 31 N -0.39 4.11 0.44 5.86 1.04 -1.26 -2.20 113.70 121.30 2yu6 s SER 31 Ca -0.03 -1.25 0.07 0.00 0.48 0.00 0.00 55.95 55.23 2yu6 s SER 31 Cb -0.03 -1.41 -0.01 0.00 0.10 0.00 0.00 66.02 64.67 2yu6 s SER 31 CO -0.00 -0.19 0.38 0.28 0.98 0.00 0.00 173.24 174.68 2yu6 s THR 32 N 1.22 2.49 0.40 2.02 -1.32 -1.26 -5.01 115.64 114.18 2yu6 s THR 32 Ca -0.07 -1.38 -0.27 0.00 -1.21 0.00 0.00 61.69 58.76 2yu6 s THR 32 Cb -0.19 -2.87 -0.10 0.00 -1.51 0.00 0.00 72.50 67.82 2yu6 s THR 32 CO -0.06 0.00 1.38 1.07 -2.21 0.00 0.00 174.62 174.80 2yu6 n THR 33 N -1.57 2.31 0.98 5.08 5.66 -1.26 -4.54 114.28 120.94 2yu6 n THR 33 Ca 0.03 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.59 2yu6 n THR 33 Cb 0.62 -1.76 0.34 0.00 -1.55 0.00 0.00 70.33 67.99 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 0.23 0.49 0.00 1.09 -0.04 -1.26 -2.02 135.00 133.49 2yu6 n PRO 34 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 34 Cb 0.39 -1.37 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.87 1.09 -0.20 3.54 2.88 -1.26 -4.13 113.62 114.67 2yu6 n SER 35 Ca 0.09 -0.88 0.02 0.00 -1.33 0.00 0.00 58.87 56.77 2yu6 n SER 35 Cb 0.04 0.49 0.03 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.99 0.89 0.09 -3.46 3.02 -0.86 -4.79 115.26 109.16 2yu6 n ASN 36 Ca 0.07 -2.03 -0.17 0.00 -0.03 0.00 0.00 54.58 52.43 2yu6 n ASN 36 Cb 0.37 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2yu6 h GLU 37 N 0.00 0.40 0.00 3.52 5.08 -1.70 -3.35 114.58 118.53 2yu6 h GLU 37 Ca 0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2yu6 h GLU 37 Cb 1.07 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2yu6 h GLU 37 CO 0.00 1.22 0.00 -2.13 -1.00 0.00 0.00 179.01 177.10 2yu6 n ARG 38 N -3.67 0.00 -0.19 2.33 0.63 -1.26 0.24 116.66 114.73 2yu6 n ARG 38 Ca -0.09 0.77 -0.05 0.00 -0.92 0.00 0.00 57.85 57.55 2yu6 n ARG 38 Cb 0.95 -1.36 -0.05 0.00 0.45 0.00 0.00 32.46 32.45 2yu6 n ARG 38 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2yu6 n LYS 39 N -2.28 -0.20 -0.34 -0.14 2.85 -1.26 0.11 118.16 116.90 2yu6 n LYS 39 Ca 0.00 1.16 0.23 0.00 -1.05 0.00 0.00 58.31 58.65 2yu6 n LYS 39 Cb 0.00 -1.72 0.49 0.00 -0.65 0.00 0.00 35.03 33.15 2yu6 n LYS 39 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2yu6 h LEU 40 N 0.00 0.49 0.02 -5.58 3.38 -1.61 0.74 115.31 112.74 2yu6 h LEU 40 Ca 0.07 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2yu6 h LEU 40 Cb 0.19 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2yu6 h LEU 40 CO -0.43 0.05 -0.01 0.78 0.09 0.00 0.00 178.44 178.92 2yu6 h ASN 41 N 0.41 -0.02 -0.04 -0.43 4.21 0.53 -2.89 115.58 117.35 2yu6 h ASN 41 Ca 0.64 0.00 0.03 0.00 1.21 0.00 0.00 56.30 58.18 2yu6 h ASN 41 Cb 1.55 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.69 2yu6 h ASN 41 CO -0.37 0.00 -0.41 -0.09 -1.29 0.00 0.00 177.43 175.27 2yu6 h ARG 42 N -0.05 -0.52 -0.75 0.81 9.65 0.50 -2.28 114.38 121.74 2yu6 h ARG 42 Ca -0.00 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.04 2yu6 h ARG 42 Cb 0.02 0.12 -0.13 0.00 -1.39 0.00 0.00 29.97 28.58 2yu6 h ARG 42 CO 0.00 -0.35 -0.33 0.00 2.80 0.00 0.00 179.97 182.09 2yu6 h ALA 43 N 0.03 0.11 -1.51 2.80 0.00 0.32 0.72 119.26 121.72 2yu6 h ALA 43 Ca 0.06 0.22 0.46 0.00 0.00 0.00 0.00 54.91 55.65 2yu6 h ALA 43 Cb 0.64 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 2yu6 h ALA 43 CO -0.34 -0.62 1.04 0.35 0.00 0.00 0.00 179.25 179.69 2yu6 h PHE 44 N -0.09 0.26 0.00 0.00 3.57 -1.18 1.50 116.94 121.00 2yu6 h PHE 44 Ca 0.29 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.53 2yu6 h PHE 44 Cb 0.57 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2yu6 h PHE 44 CO -0.71 -0.09 -1.53 0.91 -2.23 0.00 0.00 178.31 174.66 2yu6 n TRP 45 N -4.34 0.76 0.42 0.41 8.01 0.22 -4.11 117.44 118.81 2yu6 n TRP 45 Ca 0.37 0.33 0.05 0.00 -1.31 0.00 0.00 57.50 56.94 2yu6 n TRP 45 Cb 1.58 -1.06 0.23 0.00 -2.01 0.00 0.00 31.31 30.05 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 -4.40 0.10 -4.26 -0.99 1.02 0.69 -4.69 120.64 108.10 2yu6 n GLU 46 Ca -0.36 0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 56.87 2yu6 n GLU 46 Cb 0.71 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 2yu6 n GLU 46 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yu6 s SER 47 N -2.69 1.43 -0.00 1.62 0.01 0.50 -4.73 113.70 109.84 2yu6 s SER 47 Ca 0.08 -1.17 -0.24 0.00 1.31 0.00 0.00 55.95 55.94 2yu6 s SER 47 Cb 0.06 0.08 -0.18 0.00 0.21 0.00 0.00 66.02 66.19 2yu6 s SER 47 CO 0.15 -0.53 1.26 0.28 0.41 0.00 0.00 173.24 174.82 2yu6 h SER 48 N 2.65 0.18 -5.37 2.44 0.02 -1.67 -3.42 113.55 108.38 2yu6 h SER 48 Ca -0.37 -0.53 -0.33 0.00 -0.84 0.00 0.00 61.79 59.72 2yu6 h SER 48 Cb 1.21 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 63.55 2yu6 h SER 48 CO 0.63 0.67 -0.58 -0.63 -1.14 0.00 0.00 176.83 175.78 2yu6 s ILE 49 N -4.11 0.12 -0.28 3.27 1.01 -1.26 -4.96 121.20 115.00 2yu6 s ILE 49 Ca -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.48 2yu6 s ILE 49 Cb 0.03 -2.52 0.09 0.00 0.01 0.00 0.00 42.46 40.07 2yu6 s ILE 49 CO 0.71 0.00 0.09 -0.69 0.00 0.00 0.00 174.94 175.06 2yu6 s VAL 50 N -3.88 0.56 -0.27 2.92 1.01 -1.26 -1.70 120.40 117.79 2yu6 s VAL 50 Ca 0.39 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 2yu6 s VAL 50 Cb 0.06 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2yu6 s VAL 50 CO 0.16 -0.58 0.97 -0.31 0.00 0.00 0.00 175.10 175.34 2yu6 s TYR 51 N 1.79 3.26 -0.35 5.22 2.02 0.11 -0.56 117.35 128.84 2yu6 s TYR 51 Ca 0.07 1.23 -0.00 0.00 -0.37 0.00 0.00 57.07 58.00 2yu6 s TYR 51 Cb -0.17 -3.34 0.09 0.00 -0.40 0.00 0.00 41.96 38.15 2yu6 s TYR 51 CO -0.24 -0.56 0.09 -0.51 -1.57 0.00 0.00 175.55 172.76 2yu6 s LEU 52 N 3.22 4.70 -0.61 -1.29 1.43 -0.52 -1.34 118.68 124.27 2yu6 s LEU 52 Ca 0.41 -1.88 -0.27 0.00 -1.03 0.00 0.00 54.13 51.36 2yu6 s LEU 52 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2yu6 s LEU 52 CO 0.10 -0.41 1.15 -0.69 0.23 0.00 0.00 176.35 176.73 2yu6 s VAL 53 N 1.08 4.04 0.12 -1.59 1.01 -0.68 -1.06 120.40 123.31 2yu6 s VAL 53 Ca 0.05 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 2yu6 s VAL 53 Cb -0.21 -4.73 -0.07 0.00 0.00 0.00 0.00 36.38 31.37 2yu6 s VAL 53 CO -0.05 -1.41 0.62 -0.36 0.00 0.00 0.00 175.10 173.90 2yu6 s PHE 54 N 4.88 3.77 -0.25 5.22 0.40 0.67 -1.80 117.98 130.86 2yu6 s PHE 54 Ca 0.38 1.31 -0.03 0.00 -0.60 0.00 0.00 56.93 57.99 2yu6 s PHE 54 Cb -0.09 -2.53 0.14 0.00 0.51 0.00 0.00 43.02 41.05 2yu6 s PHE 54 CO 0.21 0.52 0.43 0.45 0.70 0.00 0.00 175.22 177.54 2yu6 s SER 55 N -1.27 -0.13 0.29 1.36 0.15 -0.97 -2.51 113.70 110.62 2yu6 s SER 55 Ca 0.33 0.41 -0.29 0.00 0.70 0.00 0.00 55.95 57.09 2yu6 s SER 55 Cb -0.19 1.35 -0.10 0.00 -1.71 0.00 0.00 66.02 65.37 2yu6 s SER 55 CO 0.20 -0.29 1.45 -0.69 1.20 0.00 0.00 173.24 175.12 2yu6 s VAL 56 N 2.62 2.46 0.69 4.45 1.01 -1.26 -3.08 120.40 127.28 2yu6 s VAL 56 Ca 0.14 0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 2yu6 s VAL 56 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2yu6 s VAL 56 CO -0.17 0.08 0.67 1.67 0.00 0.00 0.00 175.10 177.35 2yu6 n GLN 57 N 1.69 0.43 -3.57 2.72 -0.06 -0.41 -3.24 117.38 114.95 2yu6 n GLN 57 Ca 0.05 0.19 -0.22 0.00 -2.00 0.00 0.00 57.00 55.02 2yu6 n GLN 57 Cb 0.40 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.65 2yu6 n GLN 57 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2yu6 n GLY 58 N 1.51 -0.86 0.33 1.69 0.00 -1.26 -4.86 105.19 101.74 2yu6 n GLY 58 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.64 2.62 0.00 1.61 2.88 -1.20 -5.05 113.62 112.84 2yu6 n SER 59 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2yu6 n SER 59 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 3.25 2.58 3.42 0.46 0.00 -1.26 -5.03 105.19 108.61 2yu6 n GLY 60 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.59 1.73 -0.52 1.61 3.76 -1.26 -3.26 115.29 114.77 2yu6 s HIS 61 Ca 0.00 -1.30 -0.21 0.00 -0.15 0.00 0.00 55.06 53.41 2yu6 s HIS 61 Cb 0.00 -1.03 0.05 0.00 1.11 0.00 0.00 32.58 32.71 2yu6 s HIS 61 CO 0.00 -0.38 0.72 -0.06 -0.85 0.00 0.00 174.74 174.17 2yu6 s PHE 62 N -3.39 2.97 0.64 1.40 0.08 0.11 -4.70 117.98 115.09 2yu6 s PHE 62 Ca 0.31 -0.37 0.17 0.00 0.12 0.00 0.00 56.93 57.17 2yu6 s PHE 62 Cb 0.04 -3.70 0.80 0.00 -0.57 0.00 0.00 43.02 39.59 2yu6 s PHE 62 CO 0.17 -1.13 1.40 1.96 -0.10 0.00 0.00 175.22 177.52 2yu6 h GLN 63 N 9.09 0.00 0.00 0.44 1.08 -1.86 -3.28 115.11 120.58 2yu6 h GLN 63 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 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 1.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.29 2yu6 n GLY 64 N -1.50 2.31 3.39 3.46 0.00 -1.04 -4.73 105.19 107.08 2yu6 n GLY 64 Ca 0.07 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.77 1.93 -0.09 1.61 -0.71 -1.26 -0.24 117.98 117.45 2yu6 s PHE 65 Ca 0.00 -0.47 -0.05 0.00 -1.04 0.00 0.00 56.93 55.37 2yu6 s PHE 65 Cb 0.00 -0.88 0.04 0.00 -1.21 0.00 0.00 43.02 40.96 2yu6 s PHE 65 CO 0.00 0.48 0.21 -1.12 -1.34 0.00 0.00 175.22 173.45 2yu6 s SER 66 N -3.28 -0.21 -0.27 1.98 0.01 -0.23 -3.16 113.70 108.54 2yu6 s SER 66 Ca 0.24 0.44 -0.23 0.00 1.31 0.00 0.00 55.95 57.71 2yu6 s SER 66 Cb -0.03 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2yu6 s SER 66 CO 0.10 -0.13 0.76 0.00 0.41 0.00 0.00 173.24 174.38 2yu6 s ARG 67 N 0.87 4.09 0.14 12.44 1.70 1.00 -1.44 118.95 137.74 2yu6 s ARG 67 Ca -0.06 0.72 -0.34 0.00 -0.47 0.00 0.00 55.73 55.58 2yu6 s ARG 67 Cb -0.08 -3.68 -0.17 0.00 -0.57 0.00 0.00 34.95 30.46 2yu6 s ARG 67 CO -0.05 -0.55 1.05 -0.12 -1.08 0.00 0.00 175.30 174.55 2yu6 n MET 68 N 6.00 0.73 -0.01 3.89 0.00 0.28 -0.97 117.12 127.04 2yu6 n MET 68 Ca 0.03 0.26 0.02 0.00 -0.00 0.00 0.00 57.70 58.01 2yu6 n MET 68 Cb 0.48 -1.69 -0.04 0.00 0.00 0.00 0.00 33.22 31.97 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 1.92 3.78 -4.10 6.12 2.88 -1.21 -4.53 113.62 118.48 2yu6 n SER 69 Ca 0.17 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.61 2yu6 n SER 69 Cb 0.21 1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 64.72 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 -2.76 0.73 0.46 -3.46 0.15 -1.25 -4.99 113.70 102.59 2yu6 s SER 70 Ca -0.02 -0.87 -0.12 0.00 0.70 0.00 0.00 55.95 55.64 2yu6 s SER 70 Cb 0.03 0.13 -0.07 0.00 -1.71 0.00 0.00 66.02 64.40 2yu6 s SER 70 CO 0.22 -0.45 0.86 -1.83 1.20 0.00 0.00 173.24 173.24 2yu6 s GLU 71 N -3.20 3.82 0.07 5.44 -1.05 -1.26 -4.31 118.70 118.21 2yu6 s GLU 71 Ca 0.03 0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 55.19 2yu6 s GLU 71 Cb 0.02 -2.28 -0.05 0.00 -0.44 0.00 0.00 34.13 31.37 2yu6 s GLU 71 CO -0.05 -0.16 1.03 0.42 0.95 0.00 0.00 175.26 177.45 2yu6 s ILE 72 N -2.52 4.45 0.00 1.83 1.01 -1.26 -4.70 121.20 120.01 2yu6 s ILE 72 Ca 0.54 1.89 0.00 0.00 0.00 0.00 0.00 60.65 63.08 2yu6 s ILE 72 Cb -0.10 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2yu6 s ILE 72 CO 0.33 0.22 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2yu6 n GLY 73 N 2.63 -0.52 0.33 6.18 0.00 -1.24 -4.97 105.19 107.60 2yu6 n GLY 73 Ca 0.05 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.70 1.61 3.00 -1.26 -4.17 116.66 114.01 2yu6 n ARG 74 Ca 0.00 1.39 -0.67 0.00 -0.00 0.00 0.00 57.85 58.57 2yu6 n ARG 74 Cb 0.00 -2.07 -0.10 0.00 0.00 0.00 0.00 32.46 30.29 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 -5.41 0.00 -4.21 -0.14 4.71 -1.26 -4.87 120.64 109.46 2yu6 n GLU 75 Ca 0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.15 2yu6 n GLU 75 Cb 0.42 -1.48 -0.10 0.00 -1.01 0.00 0.00 31.44 29.26 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yu6 s LYS 76 N 3.12 1.15 0.30 3.49 -0.14 -1.26 -1.90 119.74 124.50 2yu6 s LYS 76 Ca 1.05 -1.59 -0.09 0.00 -1.36 0.00 0.00 55.97 53.98 2yu6 s LYS 76 Cb -1.48 0.15 0.01 0.00 -1.68 0.00 0.00 37.83 34.82 2yu6 s LYS 76 CO 0.80 -0.32 0.51 0.45 -0.76 0.00 0.00 175.35 176.03 2yu6 s SER 77 N -3.15 0.34 -0.05 2.83 0.15 -1.26 -5.00 113.70 107.56 2yu6 s SER 77 Ca 0.33 -1.20 -0.04 0.00 0.70 0.00 0.00 55.95 55.75 2yu6 s SER 77 Cb 0.07 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2yu6 s SER 77 CO 0.09 -1.27 -0.09 1.67 1.20 0.00 0.00 173.24 174.83 2yu6 n GLN 78 N -0.48 0.15 -1.76 5.44 7.27 -1.26 -4.98 117.38 121.77 2yu6 n GLN 78 Ca -0.01 0.07 -0.42 0.00 0.07 0.00 0.00 57.00 56.70 2yu6 n GLN 78 Cb 0.62 -0.76 -0.03 0.00 2.41 0.00 0.00 30.24 32.48 2yu6 n GLN 78 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2yu6 s ASP 79 N -5.73 6.13 -0.18 1.69 -1.08 -1.26 -4.94 116.67 111.30 2yu6 s ASP 79 Ca -0.10 2.18 -0.29 0.00 -0.52 0.00 0.00 52.55 53.83 2yu6 s ASP 79 Cb 0.03 -2.52 0.11 0.00 -1.46 0.00 0.00 42.92 39.08 2yu6 s ASP 79 CO 0.13 -1.38 0.94 0.26 0.52 0.00 0.00 175.17 175.64 2yu6 s TRP 80 N 5.83 -0.47 -0.09 -5.34 0.23 -1.26 -5.02 118.94 112.82 2yu6 s TRP 80 Ca 0.88 0.93 -0.28 0.00 -2.03 0.00 0.00 56.10 55.60 2yu6 s TRP 80 Cb -0.35 0.41 -0.24 0.00 0.03 0.00 0.00 33.47 33.32 2yu6 s TRP 80 CO 0.36 -0.35 0.98 0.78 0.96 0.00 0.00 176.95 179.68 2yu6 h GLY 81 N 3.22 0.01 -7.75 0.98 0.00 -1.92 -3.43 103.07 94.19 2yu6 h GLY 81 Ca -0.23 -0.02 -0.66 0.00 0.00 0.00 0.00 47.33 46.43 2yu6 h GLY 81 CO 0.25 0.02 -0.46 -0.56 0.00 0.00 0.00 176.54 175.78 2yu6 s SER 82 N -6.01 6.07 0.38 0.19 0.01 -1.26 -4.96 113.70 108.11 2yu6 s SER 82 Ca -0.18 -0.17 0.11 0.00 1.31 0.00 0.00 55.95 57.03 2yu6 s SER 82 Cb -0.01 -2.14 0.74 0.00 0.21 0.00 0.00 66.02 64.82 2yu6 s SER 82 CO 0.69 -0.16 1.86 0.00 0.41 0.00 0.00 173.24 176.04 2yu6 h ALA 83 N 8.41 1.42 -0.46 1.44 0.00 -2.00 -3.38 119.26 124.70 2yu6 h ALA 83 Ca -0.33 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.05 2yu6 h ALA 83 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2yu6 h ALA 83 CO 0.60 0.42 0.75 0.20 0.00 0.00 0.00 179.25 181.22 2yu6 s GLY 84 N -4.21 -0.11 0.28 0.00 0.00 -1.26 -4.84 107.32 97.18 2yu6 s GLY 84 Ca -0.04 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 2yu6 s GLY 84 CO 0.73 3.71 0.36 1.08 0.00 0.00 0.00 173.10 178.98 2yu6 s LEU 85 N 12.06 0.96 -0.33 0.66 1.43 -1.26 -4.95 118.68 127.24 2yu6 s LEU 85 Ca 0.73 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 2yu6 s LEU 85 Cb -0.04 1.14 0.19 0.00 0.03 0.00 0.00 46.19 47.51 2yu6 s LEU 85 CO 0.10 -1.11 0.97 -0.83 0.23 0.00 0.00 176.35 175.72 2yu6 s GLY 86 N -3.18 -1.35 0.00 -3.19 0.00 -1.26 -5.04 107.32 93.31 2yu6 s GLY 86 Ca 0.32 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.37 2yu6 s GLY 86 CO 0.16 4.15 0.00 0.61 0.00 0.00 0.00 173.10 178.02 2yu6 n GLY 87 N 4.21 1.54 3.78 0.20 0.00 -1.26 -4.55 105.19 109.11 2yu6 n GLY 87 Ca 0.07 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 4.58 0.04 1.61 1.01 -0.80 -4.34 120.40 122.50 2yu6 s VAL 88 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2yu6 s VAL 88 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2yu6 s VAL 88 CO 0.00 0.18 0.11 0.72 0.00 0.00 0.00 175.10 176.12 2yu6 s PHE 89 N -1.34 0.17 0.68 5.22 -0.71 -0.94 -3.58 117.98 117.48 2yu6 s PHE 89 Ca 0.28 -0.45 -0.11 0.00 -1.04 0.00 0.00 56.93 55.61 2yu6 s PHE 89 Cb -0.12 -0.12 -0.00 0.00 -1.21 0.00 0.00 43.02 41.56 2yu6 s PHE 89 CO 0.20 -0.37 1.06 0.15 -1.34 0.00 0.00 175.22 174.91 2yu6 s LYS 90 N -2.55 3.12 -0.14 1.99 1.02 -1.26 -0.26 119.74 121.65 2yu6 s LYS 90 Ca -0.05 0.76 -0.09 0.00 0.02 0.00 0.00 55.97 56.60 2yu6 s LYS 90 Cb -0.01 -2.03 0.05 0.00 -0.52 0.00 0.00 37.83 35.32 2yu6 s LYS 90 CO -0.04 -0.92 0.34 0.14 -0.92 0.00 0.00 175.35 173.95 2yu6 s VAL 91 N -3.16 -0.02 -0.32 3.17 -7.23 -1.03 -3.31 120.40 108.50 2yu6 s VAL 91 Ca 0.57 0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.62 2yu6 s VAL 91 Cb -0.12 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 2yu6 s VAL 91 CO 0.54 0.03 0.60 -0.70 -0.31 0.00 0.00 175.10 175.26 2yu6 s GLU 92 N 0.89 3.84 -0.05 4.82 2.56 -0.15 -4.68 118.70 125.94 2yu6 s GLU 92 Ca -0.06 0.19 -0.25 0.00 0.00 0.00 0.00 54.97 54.86 2yu6 s GLU 92 Cb -0.07 -3.74 -0.03 0.00 2.00 0.00 0.00 34.13 32.29 2yu6 s GLU 92 CO -0.07 -0.59 0.77 -1.58 -0.56 0.00 0.00 175.26 173.24 2yu6 s TRP 93 N 2.56 3.59 -0.17 5.30 0.52 -1.26 -0.00 118.94 129.49 2yu6 s TRP 93 Ca 0.24 1.36 -0.17 0.00 0.02 0.00 0.00 56.10 57.54 2yu6 s TRP 93 Cb -0.15 -2.88 -0.06 0.00 -1.15 0.00 0.00 33.47 29.23 2yu6 s TRP 93 CO 0.12 0.06 -0.33 -0.89 0.02 0.00 0.00 176.95 175.93 2yu6 n ILE 94 N 3.83 1.47 -5.16 2.03 -0.00 -1.19 -4.98 119.36 115.36 2yu6 n ILE 94 Ca 0.01 0.15 -0.32 0.00 -0.00 0.00 0.00 62.75 62.59 2yu6 n ILE 94 Cb 0.51 -2.31 -0.16 0.00 -0.00 0.00 0.00 39.64 37.69 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 -2.85 2.60 0.00 0.38 1.81 -1.26 -5.00 118.95 114.63 2yu6 s ARG 95 Ca -0.27 -0.85 0.11 0.00 -1.72 0.00 0.00 55.73 53.00 2yu6 s ARG 95 Cb 0.04 -2.24 0.09 0.00 -0.45 0.00 0.00 34.95 32.39 2yu6 s ARG 95 CO 0.41 0.42 0.86 1.63 -0.68 0.00 0.00 175.30 177.93 2yu6 n LYS 96 N 2.87 0.58 -2.64 3.54 5.02 -1.26 -4.17 118.16 122.10 2yu6 n LYS 96 Ca -0.17 -1.18 -0.38 0.00 -2.02 0.00 0.00 58.31 54.56 2yu6 n LYS 96 Cb 0.52 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.93 4.51 -0.32 1.97 2.56 -1.26 -4.92 118.70 120.31 2yu6 s GLU 97 Ca 0.13 1.51 -0.28 0.00 0.00 0.00 0.00 54.97 56.33 2yu6 s GLU 97 Cb 0.09 -2.88 0.01 0.00 2.00 0.00 0.00 34.13 33.36 2yu6 s GLU 97 CO 0.14 0.18 1.00 -1.12 -0.56 0.00 0.00 175.26 174.90 2yu6 s SER 98 N -1.38 6.85 -0.23 -1.70 0.01 -1.26 -4.61 113.70 111.38 2yu6 s SER 98 Ca 0.50 0.93 -0.13 0.00 1.31 0.00 0.00 55.95 58.56 2yu6 s SER 98 Cb -0.24 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2yu6 s SER 98 CO 0.30 -0.82 0.27 -0.22 0.41 0.00 0.00 173.24 173.18 2yu6 s LEU 99 N 3.48 4.11 0.27 2.44 2.96 -1.24 -4.86 118.68 125.84 2yu6 s LEU 99 Ca 0.42 0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 2yu6 s LEU 99 Cb -0.13 -2.28 -0.10 0.00 0.50 0.00 0.00 46.19 44.19 2yu6 s LEU 99 CO 0.15 -0.02 1.25 -2.16 -1.32 0.00 0.00 176.35 174.25 2yu6 s PRO 100 N 1.30 4.44 0.31 0.98 0.04 -1.26 -0.71 135.00 140.09 2yu6 s PRO 100 Ca 0.12 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2yu6 s PRO 100 Cb -0.14 -3.14 0.81 0.00 0.04 0.00 0.00 34.50 32.06 2yu6 s PRO 100 CO 0.07 -0.11 1.72 0.74 0.04 0.00 0.00 177.00 179.46 2yu6 h PHE 101 N 4.19 0.88 -1.36 0.56 0.04 -1.93 0.18 116.94 119.51 2yu6 h PHE 101 Ca -0.47 0.04 0.39 0.00 2.80 0.00 0.00 57.97 60.73 2yu6 h PHE 101 Cb 1.22 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 39.07 2yu6 h PHE 101 CO 0.59 0.04 1.18 0.37 -0.60 0.00 0.00 178.31 179.88 2yu6 h GLN 102 N 0.53 0.00 0.01 1.51 4.15 -1.91 1.22 115.11 120.62 2yu6 h GLN 102 Ca 0.60 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.82 2yu6 h GLN 102 Cb 1.13 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.83 2yu6 h GLN 102 CO -0.48 0.00 -0.81 0.74 -1.93 0.00 0.00 178.83 176.34 2yu6 h PHE 103 N 0.00 0.80 -0.88 3.99 -1.00 -1.00 -3.26 116.94 115.60 2yu6 h PHE 103 Ca 0.65 -0.44 -0.37 0.00 2.81 0.00 0.00 57.97 60.61 2yu6 h PHE 103 Cb 2.99 -0.09 -0.22 0.00 3.61 0.00 0.00 35.95 42.24 2yu6 h PHE 103 CO 0.00 1.27 0.47 0.00 -1.61 0.00 0.00 178.31 178.45 2yu6 n ALA 104 N -2.62 5.13 -0.03 2.45 0.00 0.39 -4.50 120.51 121.33 2yu6 n ALA 104 Ca -0.11 -2.64 -0.13 0.00 0.00 0.00 0.00 53.44 50.56 2yu6 n ALA 104 Cb 0.78 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 1.82 0.12 -0.13 0.00 6.17 -0.83 -3.19 115.15 119.11 2yu6 h HIS 105 Ca 0.46 -0.05 -0.04 0.00 0.71 0.00 0.00 60.37 61.46 2yu6 h HIS 105 Cb 2.63 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 32.52 2yu6 h HIS 105 CO 1.46 0.66 -0.09 1.12 0.71 0.00 0.00 177.93 181.79 2yu6 h HIS 106 N -0.45 0.20 -3.93 5.26 2.07 -1.83 -3.43 115.15 113.04 2yu6 h HIS 106 Ca 0.00 -0.02 -0.51 0.00 -2.85 0.00 0.00 60.37 56.99 2yu6 h HIS 106 Cb 0.66 -0.06 0.05 0.00 2.57 0.00 0.00 27.41 30.63 2yu6 h HIS 106 CO 0.13 0.29 0.52 -0.51 -3.07 0.00 0.00 177.93 175.28 2yu6 s LEU 107 N -8.84 4.22 0.32 6.12 1.43 -1.21 -5.04 118.68 115.67 2yu6 s LEU 107 Ca -0.05 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 2yu6 s LEU 107 Cb 0.16 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2yu6 s LEU 107 CO 0.72 -0.67 0.35 -0.76 0.23 0.00 0.00 176.35 176.22 2yu6 s LEU 108 N -2.42 1.29 -0.26 1.79 1.43 -1.26 -3.45 118.68 115.81 2yu6 s LEU 108 Ca 0.56 -1.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2yu6 s LEU 108 Cb -0.32 0.98 0.07 0.00 0.03 0.00 0.00 46.19 46.95 2yu6 s LEU 108 CO 0.40 -1.14 -0.01 0.21 0.23 0.00 0.00 176.35 176.05 2yu6 s ASN 109 N -3.27 3.97 0.00 2.29 3.04 -0.15 -4.58 114.94 116.24 2yu6 s ASN 109 Ca 0.35 -1.38 0.13 0.00 0.04 0.00 0.00 52.86 52.01 2yu6 s ASN 109 Cb 0.02 -1.16 0.79 0.00 -1.54 0.00 0.00 41.25 39.35 2yu6 s ASN 109 CO 0.22 -0.29 1.21 -0.81 -3.04 0.00 0.00 177.10 174.39 2yu6 n PRO 110 N 4.66 0.49 0.00 0.43 -0.04 -1.26 -1.83 135.00 137.44 2yu6 n PRO 110 Ca -0.08 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 2yu6 n PRO 110 Cb 0.44 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.92 0.00 -2.66 0.54 7.02 -1.26 -4.46 117.44 115.70 2yu6 n TRP 111 Ca 0.10 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.41 2yu6 n TRP 111 Cb 0.05 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 28.94 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 -0.12 2.74 -3.09 -0.99 5.15 -0.76 -4.94 115.26 113.24 2yu6 n ASN 112 Ca 0.08 -3.16 -0.16 0.00 -0.60 0.00 0.00 54.58 50.74 2yu6 n ASN 112 Cb 0.43 -0.52 0.07 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.19 -2.91 -3.58 1.20 9.92 -1.26 -2.37 116.55 117.37 2yu6 n ASP 113 Ca 0.22 -0.51 -0.24 0.00 -0.53 0.00 0.00 54.79 53.73 2yu6 n ASP 113 Cb 0.72 -4.44 -0.03 0.00 -0.64 0.00 0.00 41.12 36.73 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 -2.71 -2.01 -4.83 -2.24 4.13 -0.96 -4.88 115.26 101.75 2yu6 n ASN 114 Ca -0.19 -0.46 -0.37 0.00 1.68 0.00 0.00 54.58 55.25 2yu6 n ASN 114 Cb 0.62 -1.76 -0.06 0.00 -1.54 0.00 0.00 39.78 37.04 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 -6.20 4.06 0.42 3.52 -0.14 -1.00 -4.63 119.74 115.78 2yu6 s LYS 115 Ca 0.45 0.58 -0.18 0.00 -1.36 0.00 0.00 55.97 55.46 2yu6 s LYS 115 Cb -0.26 -3.08 -0.14 0.00 -1.68 0.00 0.00 37.83 32.67 2yu6 s LYS 115 CO 0.55 0.56 -0.01 1.17 -0.76 0.00 0.00 175.35 176.87 2yu6 n LYS 116 N 1.27 0.00 0.01 1.68 4.81 -1.26 -0.98 118.16 123.69 2yu6 n LYS 116 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.32 2yu6 n LYS 116 Cb 0.51 -0.94 -0.02 0.00 0.02 0.00 0.00 35.03 34.60 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 0.16 0.00 -1.14 3.15 2.07 -1.80 -0.68 116.25 118.01 2yu6 h VAL 117 Ca -0.36 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.53 2yu6 h VAL 117 Cb 1.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 2yu6 h VAL 117 CO 0.42 0.00 0.76 0.00 0.02 0.00 0.00 177.57 178.77 2yu6 n GLN 118 N -3.13 -0.02 -1.48 1.57 10.64 -1.26 -2.74 117.38 120.96 2yu6 n GLN 118 Ca -0.02 0.88 -0.41 0.00 -1.83 0.00 0.00 57.00 55.63 2yu6 n GLN 118 Cb 0.08 -1.82 -0.04 0.00 -0.86 0.00 0.00 30.24 27.60 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 -3.94 2.33 -3.68 -0.39 5.41 -0.26 -4.80 119.36 114.03 2yu6 n ILE 119 Ca 0.30 -2.12 -0.11 0.00 1.00 0.00 0.00 62.75 61.83 2yu6 n ILE 119 Cb 1.25 -2.37 -0.11 0.00 -0.71 0.00 0.00 39.64 37.70 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 4.73 -0.23 0.55 4.38 0.01 -1.11 -4.81 113.70 117.22 2yu6 s SER 120 Ca 0.56 0.80 -0.18 0.00 1.31 0.00 0.00 55.95 58.45 2yu6 s SER 120 Cb 0.12 0.86 -0.06 0.00 0.21 0.00 0.00 66.02 67.15 2yu6 s SER 120 CO 0.07 -0.21 1.06 0.00 0.41 0.00 0.00 173.24 174.57 2yu6 s ARG 121 N 1.92 3.49 -0.23 12.44 1.70 -1.26 -4.74 118.95 132.28 2yu6 s ARG 121 Ca -0.05 1.33 -0.36 0.00 -0.47 0.00 0.00 55.73 56.18 2yu6 s ARG 121 Cb -0.10 -2.05 -0.13 0.00 -0.57 0.00 0.00 34.95 32.10 2yu6 s ARG 121 CO -0.11 -0.68 1.95 -0.40 -1.08 0.00 0.00 175.30 174.97 2yu6 n ASP 122 N -1.52 2.74 -0.02 -2.89 5.75 -1.25 -2.01 116.55 117.35 2yu6 n ASP 122 Ca 0.09 0.81 0.00 0.00 -0.01 0.00 0.00 54.79 55.68 2yu6 n ASP 122 Cb 0.52 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 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 5.05 1.51 3.51 6.12 0.00 -0.26 -4.90 105.19 116.21 2yu6 n GLY 123 Ca 0.30 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yu6 s GLN 124 N -1.01 3.22 0.60 1.61 -1.52 -0.85 -4.98 119.66 116.72 2yu6 s GLN 124 Ca 0.00 -0.57 -0.18 0.00 -1.95 0.00 0.00 55.36 52.66 2yu6 s GLN 124 Cb 0.00 -2.71 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 2yu6 s GLN 124 CO 0.00 0.41 1.20 -1.21 -0.25 0.00 0.00 175.29 175.44 2yu6 s GLU 125 N -0.14 2.96 -0.05 2.91 2.02 -1.26 -2.62 118.70 122.53 2yu6 s GLU 125 Ca 0.01 1.79 -0.02 0.00 0.02 0.00 0.00 54.97 56.77 2yu6 s GLU 125 Cb -0.13 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.20 2yu6 s GLU 125 CO 0.03 -1.21 0.08 -1.17 0.02 0.00 0.00 175.26 173.01 2yu6 s LEU 126 N -4.13 0.24 0.25 1.80 2.96 -1.08 -4.88 118.68 113.84 2yu6 s LEU 126 Ca 0.76 0.14 -0.31 0.00 -0.22 0.00 0.00 54.13 54.51 2yu6 s LEU 126 Cb -0.29 -0.02 -0.13 0.00 0.50 0.00 0.00 46.19 46.24 2yu6 s LEU 126 CO 0.33 -0.23 1.33 1.21 -1.32 0.00 0.00 176.35 177.68 2yu6 n GLU 127 N 5.11 1.90 0.00 1.98 4.07 -1.26 -4.17 120.64 128.28 2yu6 n GLU 127 Ca -0.08 0.68 0.03 0.00 -0.06 0.00 0.00 57.16 57.73 2yu6 n GLU 127 Cb 0.50 -2.28 0.19 0.00 -0.06 0.00 0.00 31.44 29.79 2yu6 n GLU 127 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2yu6 n PRO 128 N 1.67 0.49 -0.05 5.31 -0.04 -1.26 -1.96 135.00 139.16 2yu6 n PRO 128 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 2yu6 n PRO 128 Cb 0.31 -1.20 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 2yu6 n PRO 128 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2yu6 n GLN 129 N -0.70 0.71 -0.04 0.54 7.27 -1.26 -3.86 117.38 120.04 2yu6 n GLN 129 Ca 0.05 0.21 -0.08 0.00 0.07 0.00 0.00 57.00 57.25 2yu6 n GLN 129 Cb 0.02 -1.63 -0.14 0.00 2.41 0.00 0.00 30.24 30.90 2yu6 n GLN 129 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2yu6 n VAL 130 N -3.34 1.45 -0.08 1.69 0.24 -1.07 -4.04 118.33 113.17 2yu6 n VAL 130 Ca -0.37 -0.80 -0.11 0.00 -2.04 0.00 0.00 64.34 61.03 2yu6 n VAL 130 Cb 1.03 -0.79 0.03 0.00 -1.47 0.00 0.00 33.84 32.64 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 3.70 0.88 0.87 7.63 0.00 -1.61 -2.26 103.07 112.28 2yu6 h GLY 131 Ca -0.35 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.11 2yu6 h GLY 131 CO 0.06 0.79 0.00 1.05 0.00 0.00 0.00 176.54 178.43 2yu6 h GLU 132 N 0.67 0.01 0.00 4.80 4.11 -1.74 -2.01 114.58 120.42 2yu6 h GLU 132 Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2yu6 h GLU 132 Cb 0.92 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2yu6 h GLU 132 CO 0.08 0.13 0.00 0.00 0.07 0.00 0.00 179.01 179.30 2yu6 n GLN 133 N -5.02 0.00 0.07 1.06 10.64 -1.22 -2.48 117.38 120.43 2yu6 n GLN 133 Ca -0.07 0.23 -0.14 0.00 -1.83 0.00 0.00 57.00 55.19 2yu6 n GLN 133 Cb 0.09 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.83 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 0.28 -0.01 2.61 5.85 -0.75 -3.35 115.31 119.94 2yu6 h LEU 134 Ca 0.00 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 2yu6 h LEU 134 Cb 0.27 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.21 2yu6 h LEU 134 CO 0.00 1.28 -0.30 -0.07 -0.34 0.00 0.00 178.44 179.02 2yu6 h LEU 135 N 0.05 0.28 -1.17 2.25 3.38 -1.14 -3.16 115.31 115.79 2yu6 h LEU 135 Ca -0.16 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2yu6 h LEU 135 Cb 1.95 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2yu6 h LEU 135 CO 0.16 1.00 0.53 0.06 0.09 0.00 0.00 178.44 180.28 2yu6 h GLN 136 N -0.42 0.00 -0.82 1.13 -0.00 -1.68 0.24 115.11 113.56 2yu6 h GLN 136 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2yu6 h GLN 136 Cb 1.04 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.48 2yu6 h GLN 136 CO 0.06 0.00 0.51 -0.07 -0.00 0.00 0.00 178.83 179.33 2yu6 h LEU 137 N 0.00 0.97 -1.95 0.06 3.38 -1.67 -1.62 115.31 114.48 2yu6 h LEU 137 Ca 0.00 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2yu6 h LEU 137 Cb 1.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2yu6 h LEU 137 CO 0.00 0.74 0.22 -0.50 0.09 0.00 0.00 178.44 178.99 2yu6 h TRP 138 N 1.13 0.06 -0.22 1.13 6.55 -0.73 -0.29 115.95 123.58 2yu6 h TRP 138 Ca 0.30 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 60.04 2yu6 h TRP 138 Cb -0.07 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 2yu6 h TRP 138 CO 0.00 0.03 -0.28 0.93 -1.05 0.00 0.00 178.44 178.07 2yu6 h GLU 139 N 0.06 0.42 0.00 0.49 4.39 -1.44 -2.30 114.58 116.20 2yu6 h GLU 139 Ca 0.14 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2yu6 h GLU 139 Cb 0.51 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2yu6 h GLU 139 CO -0.01 0.67 0.00 0.00 -1.16 0.00 0.00 179.01 178.51 2yu6 h ARG 140 N 0.37 0.00 0.00 2.33 3.08 -1.05 -3.53 114.38 115.58 2yu6 h ARG 140 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2yu6 h ARG 140 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2yu6 h ARG 140 CO 0.05 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.23