#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 -1.61 -4.41 1.61 2.88 -1.26 -4.89 113.62 105.94 2yu6 n SER 2 Ca 0.00 0.46 -0.45 0.00 -1.33 0.00 0.00 58.87 57.56 2yu6 n SER 2 Cb 0.00 -1.21 -0.03 0.00 -0.75 0.00 0.00 64.21 62.22 2yu6 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 3 N -1.73 6.50 0.00 -3.46 0.15 -1.26 -4.97 113.70 108.92 2yu6 s SER 3 Ca 0.61 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.35 2yu6 s SER 3 Cb -0.28 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2yu6 s SER 3 CO 0.63 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2yu6 n GLY 4 N 5.13 0.76 3.42 9.45 0.00 -1.26 -4.94 105.19 117.75 2yu6 n GLY 4 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 2yu6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu6 s SER 5 N -1.00 6.20 -0.56 1.61 0.01 -1.26 -5.01 113.70 113.69 2yu6 s SER 5 Ca 0.00 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.15 2yu6 s SER 5 Cb 0.00 -2.27 0.15 0.00 0.21 0.00 0.00 66.02 64.11 2yu6 s SER 5 CO 0.00 -0.86 0.37 -0.55 0.41 0.00 0.00 173.24 172.62 2yu6 s SER 6 N 2.78 5.25 0.20 2.44 0.15 -1.26 -5.05 113.70 118.21 2yu6 s SER 6 Ca 0.12 -2.61 0.04 0.00 0.70 0.00 0.00 55.95 54.20 2yu6 s SER 6 Cb -0.21 -1.85 -0.02 0.00 -1.71 0.00 0.00 66.02 62.23 2yu6 s SER 6 CO 0.10 -0.42 0.19 0.61 1.20 0.00 0.00 173.24 174.91 2yu6 n GLY 7 N 3.81 3.25 3.82 9.45 0.00 -1.26 -4.74 105.19 119.52 2yu6 n GLY 7 Ca 0.05 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.81 4.26 -0.00 1.61 0.11 -1.26 -3.45 120.40 118.86 2yu6 s VAL 8 Ca 0.24 1.41 -0.01 0.00 -2.93 0.00 0.00 61.98 60.69 2yu6 s VAL 8 Cb 0.01 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2yu6 s VAL 8 CO 0.17 -0.30 0.12 -0.60 -3.33 0.00 0.00 175.10 171.15 2yu6 s ARG 9 N -3.19 3.19 -0.09 1.54 6.06 -0.83 -4.91 118.95 120.72 2yu6 s ARG 9 Ca 0.63 -0.43 -0.00 0.00 -2.50 0.00 0.00 55.73 53.42 2yu6 s ARG 9 Cb -0.11 -2.94 -0.03 0.00 0.06 0.00 0.00 34.95 31.94 2yu6 s ARG 9 CO 0.14 0.66 -0.06 0.71 -2.50 0.00 0.00 175.30 174.25 2yu6 s TYR 10 N -1.24 2.96 0.03 5.12 1.51 -1.26 0.80 117.35 125.27 2yu6 s TYR 10 Ca 0.24 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 2yu6 s TYR 10 Cb -0.12 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2yu6 s TYR 10 CO 0.16 0.21 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.73 2yu6 s PHE 11 N -0.45 0.34 -0.24 2.71 0.08 -0.07 -2.49 117.98 117.86 2yu6 s PHE 11 Ca 0.07 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.37 2yu6 s PHE 11 Cb -0.12 -0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.07 2yu6 s PHE 11 CO 0.02 -0.27 0.01 0.42 -0.10 0.00 0.00 175.22 175.30 2yu6 s ILE 12 N -2.35 3.77 -0.27 0.64 -1.09 -1.21 -0.12 121.20 120.58 2yu6 s ILE 12 Ca -0.08 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 57.89 2yu6 s ILE 12 Cb -0.03 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 2yu6 s ILE 12 CO -0.04 0.37 0.07 -0.04 -1.23 0.00 0.00 174.94 174.07 2yu6 s MET 13 N 1.53 3.42 -0.19 2.79 -1.94 0.26 -1.24 119.30 123.93 2yu6 s MET 13 Ca 0.06 -0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 53.33 2yu6 s MET 13 Cb -0.15 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 2yu6 s MET 13 CO -0.00 -0.30 0.07 0.15 -0.01 0.00 0.00 175.02 174.93 2yu6 s LYS 14 N 1.57 3.96 0.02 2.03 -0.14 -1.26 -0.12 119.74 125.80 2yu6 s LYS 14 Ca 0.05 -0.35 0.05 0.00 -1.36 0.00 0.00 55.97 54.36 2yu6 s LYS 14 Cb -0.16 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 2yu6 s LYS 14 CO 0.03 0.22 -0.11 0.45 -0.76 0.00 0.00 175.35 175.19 2yu6 s SER 15 N 0.51 4.34 0.09 2.83 0.15 -1.18 -4.79 113.70 115.65 2yu6 s SER 15 Ca 0.03 -0.25 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 2yu6 s SER 15 Cb -0.13 -0.91 -0.11 0.00 -1.71 0.00 0.00 66.02 63.17 2yu6 s SER 15 CO 0.01 0.26 1.65 0.28 1.20 0.00 0.00 173.24 176.64 2yu6 h SER 16 N 4.45 0.19 -4.76 5.45 0.02 -1.96 0.24 113.55 117.18 2yu6 h SER 16 Ca -0.48 -0.13 -0.21 0.00 -0.84 0.00 0.00 61.79 60.12 2yu6 h SER 16 Cb 1.16 -0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.49 2yu6 h SER 16 CO 0.52 0.27 -0.70 0.20 -1.14 0.00 0.00 176.83 175.98 2yu6 s ASN 17 N -5.49 0.93 0.12 3.07 0.01 -1.26 -4.31 114.94 108.00 2yu6 s ASN 17 Ca -0.14 -0.89 -0.24 0.00 -0.71 0.00 0.00 52.86 50.88 2yu6 s ASN 17 Cb 0.07 0.10 -0.06 0.00 0.41 0.00 0.00 41.25 41.77 2yu6 s ASN 17 CO 0.69 -0.43 1.66 0.25 -1.51 0.00 0.00 177.10 177.76 2yu6 h LEU 18 N 3.39 -0.58 -0.34 0.60 7.12 -1.92 -3.04 115.31 120.54 2yu6 h LEU 18 Ca -0.35 0.08 0.03 0.00 0.13 0.00 0.00 57.88 57.77 2yu6 h LEU 18 Cb 1.17 0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.50 2yu6 h LEU 18 CO 0.59 -0.26 -0.20 -1.14 -0.13 0.00 0.00 178.44 177.29 2yu6 n ARG 19 N -5.33 -0.15 -0.31 1.25 3.00 -1.26 0.17 116.66 114.03 2yu6 n ARG 19 Ca -0.05 0.89 0.27 0.00 -0.00 0.00 0.00 57.85 58.96 2yu6 n ARG 19 Cb 0.24 -1.32 0.49 0.00 0.00 0.00 0.00 32.46 31.87 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 -3.76 0.23 -0.16 6.15 3.02 -1.15 0.23 115.26 119.82 2yu6 n ASN 20 Ca 0.01 1.59 -0.07 0.00 -0.03 0.00 0.00 54.58 56.07 2yu6 n ASN 20 Cb 0.09 -0.73 0.09 0.00 -0.61 0.00 0.00 39.78 38.62 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 0.91 -1.17 3.41 5.85 0.17 -2.84 115.31 121.64 2yu6 h LEU 21 Ca 0.75 -0.25 0.24 0.00 0.84 0.00 0.00 57.88 59.46 2yu6 h LEU 21 Cb 1.91 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.59 2yu6 h LEU 21 CO -0.77 0.98 0.63 -0.33 -0.34 0.00 0.00 178.44 178.61 2yu6 h GLU 22 N 0.86 0.53 -0.24 1.25 5.08 0.36 0.51 114.58 122.94 2yu6 h GLU 22 Ca 0.15 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2yu6 h GLU 22 Cb 0.54 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2yu6 h GLU 22 CO 0.03 0.35 0.19 0.82 -1.00 0.00 0.00 179.01 179.40 2yu6 h ILE 23 N 0.55 0.74 0.00 3.13 5.03 -1.37 0.22 117.51 125.81 2yu6 h ILE 23 Ca 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.34 2yu6 h ILE 23 Cb 1.24 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 2yu6 h ILE 23 CO -0.37 0.00 -0.34 -1.28 -0.68 0.00 0.00 178.15 175.48 2yu6 h SER 24 N 0.00 0.00 0.33 1.72 0.87 0.01 -1.15 113.55 115.34 2yu6 h SER 24 Ca 0.11 -0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 2yu6 h SER 24 Cb 0.49 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2yu6 h SER 24 CO -0.00 0.01 -1.75 1.56 -0.53 0.00 0.00 176.83 176.12 2yu6 h GLN 25 N 0.00 0.20 0.00 2.24 4.20 -0.42 -3.05 115.11 118.29 2yu6 h GLN 25 Ca 0.00 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2yu6 h GLN 25 Cb 0.93 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2yu6 h GLN 25 CO 0.00 1.01 -0.56 1.04 -0.67 0.00 0.00 178.83 179.64 2yu6 n GLN 26 N -3.37 0.44 0.28 1.46 1.13 -0.03 -4.34 117.38 112.96 2yu6 n GLN 26 Ca -0.22 0.46 0.16 0.00 -1.94 0.00 0.00 57.00 55.46 2yu6 n GLN 26 Cb 1.05 -1.61 0.80 0.00 0.11 0.00 0.00 30.24 30.59 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 -0.96 0.00 -1.85 -1.09 1.79 -1.41 -3.46 116.57 109.59 2yu6 h LYS 27 Ca 0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 2yu6 h LYS 27 Cb 0.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2yu6 h LYS 27 CO 0.00 0.07 -0.30 0.41 -1.08 0.00 0.00 179.45 178.55 2yu6 n GLY 28 N -0.48 -0.07 3.10 3.86 0.00 -1.15 -4.99 105.19 105.46 2yu6 n GLY 28 Ca -0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.64 0.10 -0.04 -0.61 -5.25 -1.24 -2.25 121.20 109.26 2yu6 s ILE 29 Ca 0.04 -0.81 0.01 0.00 -0.99 0.00 0.00 60.65 58.90 2yu6 s ILE 29 Cb -0.02 -0.54 0.02 0.00 2.95 0.00 0.00 42.46 44.88 2yu6 s ILE 29 CO 0.05 -0.45 -0.06 0.86 -1.79 0.00 0.00 174.94 173.55 2yu6 s TRP 30 N -1.72 0.85 -0.32 1.37 -0.11 0.59 -3.40 118.94 116.21 2yu6 s TRP 30 Ca -0.12 -0.25 -0.06 0.00 1.22 0.00 0.00 56.10 56.89 2yu6 s TRP 30 Cb -0.06 -0.71 0.03 0.00 -1.50 0.00 0.00 33.47 31.23 2yu6 s TRP 30 CO -0.00 -0.19 0.08 0.45 -4.62 0.00 0.00 176.95 172.67 2yu6 s SER 31 N 0.80 5.18 0.42 5.86 0.15 -1.26 -2.98 113.70 121.87 2yu6 s SER 31 Ca -0.12 -0.97 0.07 0.00 0.70 0.00 0.00 55.95 55.64 2yu6 s SER 31 Cb -0.14 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 2yu6 s SER 31 CO 0.01 -0.26 0.24 0.28 1.20 0.00 0.00 173.24 174.70 2yu6 s THR 32 N 1.43 2.34 0.39 6.45 -1.32 -1.26 -4.98 115.64 118.69 2yu6 s THR 32 Ca -0.00 -1.61 -0.27 0.00 -1.21 0.00 0.00 61.69 58.60 2yu6 s THR 32 Cb -0.18 -2.94 -0.11 0.00 -1.51 0.00 0.00 72.50 67.76 2yu6 s THR 32 CO 0.02 0.00 1.43 1.07 -2.21 0.00 0.00 174.62 174.93 2yu6 n THR 33 N -1.34 2.23 0.98 5.08 5.66 -1.26 -4.40 114.28 121.23 2yu6 n THR 33 Ca -0.00 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.56 2yu6 n THR 33 Cb 0.64 -1.85 0.40 0.00 -1.55 0.00 0.00 70.33 67.97 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 0.28 0.49 0.05 1.09 -0.04 -1.26 -2.13 135.00 133.48 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 -1.43 0.10 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 -0.93 0.68 -0.04 3.54 2.88 -1.26 -3.94 113.62 114.55 2yu6 n SER 35 Ca 0.10 0.03 0.04 0.00 -1.33 0.00 0.00 58.87 57.72 2yu6 n SER 35 Cb 0.05 0.41 0.06 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.12 2.07 0.09 -3.46 3.02 -0.90 -4.62 115.26 109.34 2yu6 n ASN 36 Ca 0.02 -2.42 0.04 0.00 -0.03 0.00 0.00 54.58 52.20 2yu6 n ASN 36 Cb 0.45 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.00 -0.55 3.52 5.08 -1.67 -3.28 114.58 117.68 2yu6 h GLU 37 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2yu6 h GLU 37 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2yu6 h GLU 37 CO 0.00 0.25 0.39 0.07 -1.00 0.00 0.00 179.01 178.72 2yu6 h ARG 38 N 0.00 0.12 0.00 2.33 -0.00 -1.82 0.23 114.38 115.25 2yu6 h ARG 38 Ca -0.07 -0.01 -0.20 0.00 -0.00 0.00 0.00 59.98 59.70 2yu6 h ARG 38 Cb 1.35 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 31.26 2yu6 h ARG 38 CO 0.04 0.08 -1.09 1.57 -0.00 0.00 0.00 179.97 180.57 2yu6 h LYS 39 N 0.13 0.01 -0.50 0.08 2.10 -1.92 -2.92 116.57 113.54 2yu6 h LYS 39 Ca 0.26 -0.01 0.07 0.00 -2.00 0.00 0.00 60.65 58.98 2yu6 h LYS 39 Cb 0.88 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.15 2yu6 h LYS 39 CO -0.03 1.00 0.16 -0.07 -2.00 0.00 0.00 179.45 178.51 2yu6 h LEU 40 N -0.98 0.14 0.28 7.07 3.38 -1.53 1.16 115.31 124.83 2yu6 h LEU 40 Ca -0.30 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2yu6 h LEU 40 Cb 1.27 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2yu6 h LEU 40 CO -0.17 0.10 -0.14 -1.13 0.09 0.00 0.00 178.44 177.19 2yu6 h ASN 41 N 0.32 -0.32 0.56 -0.43 -1.24 -0.74 -2.77 115.58 110.96 2yu6 h ASN 41 Ca 0.24 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 2yu6 h ASN 41 Cb 0.28 0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.42 2yu6 h ASN 41 CO -0.27 0.10 -0.27 -0.09 -1.29 0.00 0.00 177.43 175.62 2yu6 h ARG 42 N -0.83 -0.73 -0.92 6.67 9.65 -1.33 -3.12 114.38 123.77 2yu6 h ARG 42 Ca -0.04 0.05 0.20 0.00 -1.10 0.00 0.00 59.98 59.09 2yu6 h ARG 42 Cb 0.51 0.17 -0.17 0.00 -1.39 0.00 0.00 29.97 29.08 2yu6 h ARG 42 CO 0.06 -0.48 -0.18 0.00 2.80 0.00 0.00 179.97 182.17 2yu6 n ALA 43 N -2.41 0.28 -0.32 2.80 0.00 0.40 0.11 120.51 121.37 2yu6 n ALA 43 Ca -0.09 1.01 0.19 0.00 0.00 0.00 0.00 53.44 54.55 2yu6 n ALA 43 Cb 0.30 -0.63 0.39 0.00 0.00 0.00 0.00 19.45 19.51 2yu6 n ALA 43 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2yu6 h PHE 44 N 0.00 0.57 0.00 0.00 3.57 -1.42 1.74 116.94 121.40 2yu6 h PHE 44 Ca 0.47 0.05 -0.28 0.00 3.53 0.00 0.00 57.97 61.73 2yu6 h PHE 44 Cb 0.78 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 2yu6 h PHE 44 CO -0.66 -0.26 -1.60 -1.49 -2.23 0.00 0.00 178.31 172.07 2yu6 h TRP 45 N 0.20 0.01 -0.16 0.41 6.55 0.81 -3.31 115.95 120.46 2yu6 h TRP 45 Ca 0.66 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.49 2yu6 h TRP 45 Cb 1.47 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.77 2yu6 h TRP 45 CO -0.17 1.02 0.00 0.39 -1.05 0.00 0.00 178.44 178.62 2yu6 n GLU 46 N -3.10 1.52 -3.77 0.49 1.02 0.89 -4.85 120.64 112.85 2yu6 n GLU 46 Ca -0.15 -0.79 -0.13 0.00 -0.02 0.00 0.00 57.16 56.08 2yu6 n GLU 46 Cb 1.04 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.08 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 -1.36 -0.15 0.18 1.62 0.01 0.56 -4.80 113.70 109.76 2yu6 s SER 47 Ca 0.25 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.34 2yu6 s SER 47 Cb 0.13 0.32 0.15 0.00 0.21 0.00 0.00 66.02 66.83 2yu6 s SER 47 CO 0.20 -0.50 1.74 0.28 0.41 0.00 0.00 173.24 175.36 2yu6 h SER 48 N 3.65 0.12 -5.51 2.44 0.02 -1.80 -3.42 113.55 109.05 2yu6 h SER 48 Ca -0.30 0.06 -0.21 0.00 -0.84 0.00 0.00 61.79 60.50 2yu6 h SER 48 Cb 1.18 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.66 2yu6 h SER 48 CO 0.42 0.10 -0.41 -0.63 -1.14 0.00 0.00 176.83 175.17 2yu6 s ILE 49 N -6.14 0.00 -0.28 3.27 1.01 -1.26 -4.98 121.20 112.82 2yu6 s ILE 49 Ca -0.13 -1.78 -0.01 0.00 0.00 0.00 0.00 60.65 58.73 2yu6 s ILE 49 Cb 0.14 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 40.27 2yu6 s ILE 49 CO 0.72 0.00 0.08 -0.69 0.00 0.00 0.00 174.94 175.05 2yu6 s VAL 50 N -3.93 0.81 -0.01 2.92 1.01 -1.26 -1.96 120.40 117.98 2yu6 s VAL 50 Ca 0.33 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 2yu6 s VAL 50 Cb 0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2yu6 s VAL 50 CO 0.13 -0.55 0.81 -0.31 0.00 0.00 0.00 175.10 175.19 2yu6 s TYR 51 N 1.67 3.65 -0.23 5.22 2.02 0.24 0.31 117.35 130.22 2yu6 s TYR 51 Ca 0.07 1.47 -0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2yu6 s TYR 51 Cb -0.17 -2.92 0.07 0.00 -0.40 0.00 0.00 41.96 38.54 2yu6 s TYR 51 CO -0.21 0.11 0.00 -0.51 -1.57 0.00 0.00 175.55 173.37 2yu6 s LEU 52 N 0.62 2.03 -0.54 -1.29 1.43 -0.65 -0.89 118.68 119.40 2yu6 s LEU 52 Ca 0.43 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 2yu6 s LEU 52 Cb -0.20 -0.92 0.04 0.00 0.03 0.00 0.00 46.19 45.15 2yu6 s LEU 52 CO 0.23 -0.29 0.93 -0.69 0.23 0.00 0.00 176.35 176.76 2yu6 s VAL 53 N 1.60 4.41 0.07 -1.59 1.01 0.83 -0.11 120.40 126.62 2yu6 s VAL 53 Ca -0.01 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 2yu6 s VAL 53 Cb -0.18 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 2yu6 s VAL 53 CO -0.09 -1.07 0.72 -0.36 0.00 0.00 0.00 175.10 174.30 2yu6 s PHE 54 N 3.89 3.78 -0.26 5.22 0.08 0.13 -0.57 117.98 130.24 2yu6 s PHE 54 Ca 0.31 1.45 -0.02 0.00 0.12 0.00 0.00 56.93 58.79 2yu6 s PHE 54 Cb -0.12 -2.74 0.15 0.00 -0.57 0.00 0.00 43.02 39.73 2yu6 s PHE 54 CO 0.20 0.38 0.45 -1.12 -0.10 0.00 0.00 175.22 175.02 2yu6 s SER 55 N -0.45 -0.26 0.27 1.36 0.01 0.83 -2.57 113.70 112.89 2yu6 s SER 55 Ca 0.36 0.44 -0.30 0.00 1.31 0.00 0.00 55.95 57.76 2yu6 s SER 55 Cb -0.21 1.44 -0.11 0.00 0.21 0.00 0.00 66.02 67.36 2yu6 s SER 55 CO 0.23 -0.29 1.49 -0.69 0.41 0.00 0.00 173.24 174.39 2yu6 s VAL 56 N 2.64 2.44 0.00 3.43 1.01 -1.26 -3.08 120.40 125.59 2yu6 s VAL 56 Ca 0.15 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 2yu6 s VAL 56 Cb -0.15 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2yu6 s VAL 56 CO -0.17 0.06 1.01 -0.61 0.00 0.00 0.00 175.10 175.39 2yu6 h GLN 57 N 4.92 -0.01 -5.21 2.72 -0.00 -0.74 -3.20 115.11 113.59 2yu6 h GLN 57 Ca -0.46 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 57.83 2yu6 h GLN 57 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.69 2yu6 h GLN 57 CO 0.78 -0.01 1.17 0.41 0.00 0.00 0.00 178.83 181.18 2yu6 n GLY 58 N -1.01 1.07 3.78 2.39 0.00 -1.26 -4.78 105.19 105.38 2yu6 n GLY 58 Ca -0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 6.51 0.06 0.00 1.61 0.15 -1.21 -4.95 113.70 115.87 2yu6 s SER 59 Ca 0.68 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2yu6 s SER 59 Cb 0.02 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 2yu6 s SER 59 CO 0.15 -1.64 0.00 0.61 1.20 0.00 0.00 173.24 173.56 2yu6 n GLY 60 N -0.53 0.00 3.62 9.45 0.00 -1.26 -5.08 105.19 111.39 2yu6 n GLY 60 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.56 2.17 -0.41 1.61 3.76 -1.26 -3.73 115.29 115.87 2yu6 s HIS 61 Ca 0.00 -0.86 -0.27 0.00 -0.15 0.00 0.00 55.06 53.78 2yu6 s HIS 61 Cb 0.00 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.12 2yu6 s HIS 61 CO 0.00 0.24 0.98 -0.06 -0.85 0.00 0.00 174.74 175.06 2yu6 s PHE 62 N -2.90 2.99 -0.08 1.40 0.08 0.52 -4.79 117.98 115.19 2yu6 s PHE 62 Ca 0.26 0.71 0.15 0.00 0.12 0.00 0.00 56.93 58.17 2yu6 s PHE 62 Cb 0.07 -3.89 0.84 0.00 -0.57 0.00 0.00 43.02 39.46 2yu6 s PHE 62 CO 0.13 -0.98 1.40 1.04 -0.10 0.00 0.00 175.22 176.71 2yu6 n GLN 63 N 7.10 0.10 0.00 0.44 3.00 -1.17 -3.23 117.38 123.63 2yu6 n GLN 63 Ca 0.08 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 2yu6 n GLN 63 Cb 0.48 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.69 2yu6 n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2yu6 n GLY 64 N -1.29 0.39 3.14 1.08 0.00 -1.06 -4.66 105.19 102.80 2yu6 n GLY 64 Ca -0.01 -2.31 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.28 0.24 -0.05 1.61 -0.12 -1.26 0.21 117.98 118.32 2yu6 s PHE 65 Ca 0.00 -0.63 -0.02 0.00 -0.05 0.00 0.00 56.93 56.23 2yu6 s PHE 65 Cb 0.00 -0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 2yu6 s PHE 65 CO 0.00 -0.43 0.11 -1.12 -0.05 0.00 0.00 175.22 173.73 2yu6 s SER 66 N -2.51 -0.07 -0.24 1.98 0.01 0.84 -3.29 113.70 110.42 2yu6 s SER 66 Ca 0.01 0.22 -0.23 0.00 1.31 0.00 0.00 55.95 57.25 2yu6 s SER 66 Cb 0.03 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 2yu6 s SER 66 CO -0.08 -0.12 0.77 0.00 0.41 0.00 0.00 173.24 174.22 2yu6 s ARG 67 N 0.90 4.17 0.18 12.44 1.70 0.10 -1.63 118.95 136.80 2yu6 s ARG 67 Ca -0.07 0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 55.71 2yu6 s ARG 67 Cb -0.09 -3.64 -0.17 0.00 -0.57 0.00 0.00 34.95 30.47 2yu6 s ARG 67 CO -0.04 -0.47 0.71 -0.12 -1.08 0.00 0.00 175.30 174.30 2yu6 n MET 68 N 5.87 0.24 -0.00 3.89 0.00 0.15 -0.72 117.12 126.55 2yu6 n MET 68 Ca 0.04 0.09 0.00 0.00 -0.00 0.00 0.00 57.70 57.82 2yu6 n MET 68 Cb 0.48 -1.25 -0.01 0.00 0.00 0.00 0.00 33.22 32.45 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 1.83 4.77 -4.15 6.12 2.88 -1.22 -4.54 113.62 119.31 2yu6 n SER 69 Ca 0.17 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.60 2yu6 n SER 69 Cb 0.23 0.81 -0.10 0.00 -0.75 0.00 0.00 64.21 64.40 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 -2.57 1.08 0.54 -3.46 0.15 -1.25 -4.99 113.70 103.19 2yu6 s SER 70 Ca -0.00 -0.90 -0.11 0.00 0.70 0.00 0.00 55.95 55.64 2yu6 s SER 70 Cb 0.00 0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 2yu6 s SER 70 CO 0.04 -0.40 0.93 -1.83 1.20 0.00 0.00 173.24 173.18 2yu6 s GLU 71 N -3.30 3.68 0.13 5.44 1.03 -1.26 -4.29 118.70 120.13 2yu6 s GLU 71 Ca 0.07 0.63 -0.28 0.00 0.03 0.00 0.00 54.97 55.41 2yu6 s GLU 71 Cb 0.02 -2.20 -0.07 0.00 -0.80 0.00 0.00 34.13 31.08 2yu6 s GLU 71 CO -0.03 -0.35 0.88 0.42 -1.33 0.00 0.00 175.26 174.85 2yu6 s ILE 72 N -2.85 4.46 0.00 1.83 1.01 -1.26 -4.71 121.20 119.68 2yu6 s ILE 72 Ca 0.53 1.91 0.00 0.00 0.00 0.00 0.00 60.65 63.09 2yu6 s ILE 72 Cb -0.11 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2yu6 s ILE 72 CO 0.44 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2yu6 n GLY 73 N 2.05 -0.58 0.33 6.18 0.00 -1.19 -4.95 105.19 107.02 2yu6 n GLY 73 Ca -0.01 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.03 -6.02 1.61 1.12 -1.88 -3.39 114.38 105.85 2yu6 h ARG 74 Ca 0.00 -0.00 -0.83 0.00 -1.11 0.00 0.00 59.98 58.04 2yu6 h ARG 74 Cb 0.00 -0.01 0.03 0.00 -0.01 0.00 0.00 29.97 29.98 2yu6 h ARG 74 CO 0.00 0.02 0.45 -1.91 -3.11 0.00 0.00 179.97 175.42 2yu6 n GLU 75 N -5.50 0.11 -4.12 0.20 0.00 -1.26 -4.92 120.64 105.15 2yu6 n GLU 75 Ca 0.18 0.04 -0.19 0.00 0.00 0.00 0.00 57.16 57.19 2yu6 n GLU 75 Cb 0.59 -1.56 -0.07 0.00 0.00 0.00 0.00 31.44 30.40 2yu6 n GLU 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yu6 n LYS 76 N 3.06 0.41 -3.55 5.31 4.76 -1.26 -2.77 118.16 124.12 2yu6 n LYS 76 Ca 0.26 -3.15 -0.10 0.00 -2.87 0.00 0.00 58.31 52.45 2yu6 n LYS 76 Cb 0.01 2.46 0.01 0.00 -1.84 0.00 0.00 35.03 35.67 2yu6 n LYS 76 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2yu6 n SER 77 N -1.73 -1.74 0.00 4.39 2.88 -1.26 -5.00 113.62 111.16 2yu6 n SER 77 Ca 0.05 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 2yu6 n SER 77 Cb 0.57 2.99 0.00 0.00 -0.75 0.00 0.00 64.21 67.02 2yu6 n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yu6 n GLN 78 N -0.49 0.00 -2.52 -1.46 0.00 -1.26 -5.01 117.38 106.64 2yu6 n GLN 78 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 56.52 2yu6 n GLN 78 Cb 0.53 -0.60 -0.02 0.00 0.00 0.00 0.00 30.24 30.14 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yu6 s ASP 79 N -4.08 6.53 -0.06 2.61 1.11 -1.26 -4.98 116.67 116.54 2yu6 s ASP 79 Ca 0.00 0.56 -0.20 0.00 0.18 0.00 0.00 52.55 53.09 2yu6 s ASP 79 Cb 0.00 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.49 2yu6 s ASP 79 CO 0.00 -1.32 0.46 0.26 1.18 0.00 0.00 175.17 175.74 2yu6 s TRP 80 N 4.80 -0.40 0.16 4.23 0.23 -1.26 -4.98 118.94 121.72 2yu6 s TRP 80 Ca 0.52 0.76 0.05 0.00 -2.03 0.00 0.00 56.10 55.40 2yu6 s TRP 80 Cb -0.09 0.21 -0.05 0.00 0.03 0.00 0.00 33.47 33.56 2yu6 s TRP 80 CO 0.32 -0.42 1.36 0.78 0.96 0.00 0.00 176.95 179.95 2yu6 h GLY 81 N 3.97 0.10 -4.89 0.98 0.00 -1.93 -3.45 103.07 97.84 2yu6 h GLY 81 Ca -0.28 -0.19 -0.60 0.00 0.00 0.00 0.00 47.33 46.25 2yu6 h GLY 81 CO 0.35 0.17 -0.85 -0.56 0.00 0.00 0.00 176.54 175.64 2yu6 s SER 82 N -6.84 2.42 0.15 0.19 0.01 -1.26 -5.02 113.70 103.34 2yu6 s SER 82 Ca -0.01 -0.38 0.12 0.00 1.31 0.00 0.00 55.95 56.99 2yu6 s SER 82 Cb 0.10 -0.37 -0.10 0.00 0.21 0.00 0.00 66.02 65.87 2yu6 s SER 82 CO 0.82 0.24 1.20 0.00 0.41 0.00 0.00 173.24 175.91 2yu6 h ALA 83 N 5.76 0.56 -0.10 1.44 0.00 -2.01 -3.41 119.26 121.51 2yu6 h ALA 83 Ca -0.37 -0.79 -0.47 0.00 0.00 0.00 0.00 54.91 53.27 2yu6 h ALA 83 Cb 1.15 0.01 0.06 0.00 0.00 0.00 0.00 17.79 19.00 2yu6 h ALA 83 CO 0.48 1.00 1.43 0.41 0.00 0.00 0.00 179.25 182.57 2yu6 n GLY 84 N 1.33 1.17 3.38 0.00 0.00 -1.26 -4.80 105.19 105.01 2yu6 n GLY 84 Ca -0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu6 s LEU 85 N 5.17 1.83 -0.30 0.99 1.43 -1.26 -4.90 118.68 121.64 2yu6 s LEU 85 Ca 0.67 -1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 51.89 2yu6 s LEU 85 Cb 0.09 0.30 0.19 0.00 0.03 0.00 0.00 46.19 46.79 2yu6 s LEU 85 CO 0.21 -1.02 1.16 -0.83 0.23 0.00 0.00 176.35 176.10 2yu6 s GLY 86 N -3.47 -1.40 0.00 -3.19 0.00 -1.26 -5.00 107.32 93.00 2yu6 s GLY 86 Ca 0.33 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.85 2yu6 s GLY 86 CO 0.22 4.41 0.00 0.61 0.00 0.00 0.00 173.10 178.34 2yu6 n GLY 87 N 3.92 0.66 3.97 0.20 0.00 -1.26 -4.37 105.19 108.32 2yu6 n GLY 87 Ca 0.06 -0.79 -0.21 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 4.55 0.04 1.61 1.01 -1.12 -4.31 120.40 122.18 2yu6 s VAL 88 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2yu6 s VAL 88 Cb 0.00 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.83 2yu6 s VAL 88 CO 0.00 -0.30 0.60 0.72 0.00 0.00 0.00 175.10 176.12 2yu6 s PHE 89 N -2.21 -0.54 0.76 5.22 -0.71 -1.16 -3.19 117.98 116.15 2yu6 s PHE 89 Ca 0.42 0.68 -0.12 0.00 -1.04 0.00 0.00 56.93 56.88 2yu6 s PHE 89 Cb -0.09 0.42 0.05 0.00 -1.21 0.00 0.00 43.02 42.18 2yu6 s PHE 89 CO 0.32 -0.68 1.11 0.15 -1.34 0.00 0.00 175.22 174.78 2yu6 s LYS 90 N -2.29 2.39 -0.18 1.99 1.02 -1.26 -0.30 119.74 121.12 2yu6 s LYS 90 Ca -0.06 0.48 -0.13 0.00 0.02 0.00 0.00 55.97 56.28 2yu6 s LYS 90 Cb -0.01 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 35.39 2yu6 s LYS 90 CO -0.00 -1.37 0.46 0.14 -0.92 0.00 0.00 175.35 173.66 2yu6 s VAL 91 N -3.30 -0.01 -0.34 3.17 -7.23 -0.95 -3.41 120.40 108.32 2yu6 s VAL 91 Ca 0.60 0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 60.60 2yu6 s VAL 91 Cb -0.12 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.15 2yu6 s VAL 91 CO 0.52 0.02 0.68 -0.70 -0.31 0.00 0.00 175.10 175.31 2yu6 s GLU 92 N 0.92 3.78 -0.39 4.82 2.56 0.11 -4.74 118.70 125.75 2yu6 s GLU 92 Ca -0.05 0.22 -0.24 0.00 0.00 0.00 0.00 54.97 54.89 2yu6 s GLU 92 Cb -0.06 -3.78 0.02 0.00 2.00 0.00 0.00 34.13 32.31 2yu6 s GLU 92 CO -0.08 -0.71 0.86 -1.58 -0.56 0.00 0.00 175.26 173.19 2yu6 s TRP 93 N 2.78 3.05 -0.09 5.30 0.52 -1.26 0.00 118.94 129.24 2yu6 s TRP 93 Ca 0.27 0.55 -0.06 0.00 0.02 0.00 0.00 56.10 56.88 2yu6 s TRP 93 Cb -0.14 -3.61 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 2yu6 s TRP 93 CO 0.14 -0.86 0.21 0.82 0.02 0.00 0.00 176.95 177.29 2yu6 h ILE 94 N 5.86 0.23 -3.84 2.03 5.03 -1.95 -3.47 117.51 121.40 2yu6 h ILE 94 Ca -0.24 -1.09 -0.44 0.00 -0.12 0.00 0.00 64.86 62.97 2yu6 h ILE 94 Cb 1.08 0.42 -0.31 0.00 -3.03 0.00 0.00 36.82 34.99 2yu6 h ILE 94 CO 0.96 0.07 -0.79 -0.13 -0.68 0.00 0.00 178.15 177.58 2yu6 s ARG 95 N -1.96 1.02 -0.19 2.37 1.81 -1.26 -5.02 118.95 115.72 2yu6 s ARG 95 Ca -0.04 -0.33 0.16 0.00 -1.72 0.00 0.00 55.73 53.79 2yu6 s ARG 95 Cb -0.00 -0.95 0.66 0.00 -0.45 0.00 0.00 34.95 34.21 2yu6 s ARG 95 CO 0.13 0.13 1.57 1.63 -0.68 0.00 0.00 175.30 178.08 2yu6 n LYS 96 N 3.24 3.83 -2.19 3.54 5.02 -1.26 -4.14 118.16 126.20 2yu6 n LYS 96 Ca -0.18 -2.95 -0.27 0.00 -2.02 0.00 0.00 58.31 52.89 2yu6 n LYS 96 Cb 0.54 -2.00 0.05 0.00 -0.02 0.00 0.00 35.03 33.60 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -2.63 2.68 -0.20 1.97 2.12 -1.26 -4.95 118.70 116.43 2yu6 s GLU 97 Ca 0.47 0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.81 2yu6 s GLU 97 Cb 0.36 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 2yu6 s GLU 97 CO 0.14 -0.96 0.04 -1.12 -0.54 0.00 0.00 175.26 172.81 2yu6 s SER 98 N -4.38 5.19 -0.19 -1.70 0.01 -1.26 -4.22 113.70 107.15 2yu6 s SER 98 Ca 0.57 -0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 2yu6 s SER 98 Cb -0.11 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2yu6 s SER 98 CO 0.47 0.08 -0.03 -0.22 0.41 0.00 0.00 173.24 173.95 2yu6 s LEU 99 N 0.90 3.12 0.23 2.44 2.96 -1.20 -4.88 118.68 122.24 2yu6 s LEU 99 Ca 0.03 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.39 2yu6 s LEU 99 Cb -0.14 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.68 2yu6 s LEU 99 CO 0.02 0.07 1.28 -2.16 -1.32 0.00 0.00 176.35 174.25 2yu6 s PRO 100 N 0.95 4.41 0.48 0.98 0.04 -1.26 -0.36 135.00 140.25 2yu6 s PRO 100 Ca 0.00 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.35 2yu6 s PRO 100 Cb -0.14 -3.18 1.31 0.00 0.04 0.00 0.00 34.50 32.53 2yu6 s PRO 100 CO 0.01 -0.19 1.85 0.74 0.04 0.00 0.00 177.00 179.45 2yu6 h PHE 101 N 4.88 0.27 -0.59 0.56 0.04 -1.94 0.17 116.94 120.33 2yu6 h PHE 101 Ca -0.46 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.49 2yu6 h PHE 101 Cb 1.22 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 2yu6 h PHE 101 CO 0.61 0.05 0.67 0.37 -0.60 0.00 0.00 178.31 179.41 2yu6 h GLN 102 N 0.19 0.00 0.11 1.51 4.15 -1.90 1.27 115.11 120.43 2yu6 h GLN 102 Ca 0.48 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.72 2yu6 h GLN 102 Cb 1.58 0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.29 2yu6 h GLN 102 CO -0.11 0.00 -0.78 0.74 -1.93 0.00 0.00 178.83 176.75 2yu6 h PHE 103 N 0.00 0.58 -0.27 3.99 -1.00 -1.03 -3.29 116.94 115.93 2yu6 h PHE 103 Ca 0.28 -0.39 0.00 0.00 2.81 0.00 0.00 57.97 60.67 2yu6 h PHE 103 Cb 1.61 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.14 2yu6 h PHE 103 CO 0.00 1.28 0.00 0.00 -1.61 0.00 0.00 178.31 177.98 2yu6 n ALA 104 N -2.65 2.48 0.25 2.45 0.00 0.76 -4.15 120.51 119.65 2yu6 n ALA 104 Ca -0.13 -0.69 0.16 0.00 0.00 0.00 0.00 53.44 52.78 2yu6 n ALA 104 Cb 0.80 -1.01 0.85 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.00 0.00 6.17 0.14 0.16 115.15 124.55 2yu6 h HIS 105 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2yu6 h HIS 105 Cb 0.65 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.58 2yu6 h HIS 105 CO 0.17 0.00 -0.68 -2.39 0.71 0.00 0.00 177.93 175.74 2yu6 n HIS 106 N -2.63 0.04 -3.81 5.26 1.44 -1.26 -4.89 115.22 109.37 2yu6 n HIS 106 Ca -0.02 0.01 -0.36 0.00 -2.01 0.00 0.00 57.72 55.34 2yu6 n HIS 106 Cb 0.07 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 29.91 2yu6 n HIS 106 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yu6 s LEU 107 N -3.11 4.40 0.28 2.39 1.43 0.56 -5.10 118.68 119.53 2yu6 s LEU 107 Ca 0.09 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2yu6 s LEU 107 Cb 0.17 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2yu6 s LEU 107 CO 0.75 0.36 0.24 -0.76 0.23 0.00 0.00 176.35 177.17 2yu6 s LEU 108 N -1.24 1.50 -0.26 1.79 1.43 -1.26 -3.05 118.68 117.59 2yu6 s LEU 108 Ca 0.19 -1.61 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 2yu6 s LEU 108 Cb -0.13 0.54 0.06 0.00 0.03 0.00 0.00 46.19 46.69 2yu6 s LEU 108 CO 0.09 -1.00 -0.11 0.21 0.23 0.00 0.00 176.35 175.78 2yu6 s ASN 109 N -3.29 4.37 0.00 2.29 2.47 0.12 -4.61 114.94 116.29 2yu6 s ASN 109 Ca 0.40 -1.37 0.13 0.00 0.42 0.00 0.00 52.86 52.44 2yu6 s ASN 109 Cb 0.04 -1.51 0.76 0.00 -1.45 0.00 0.00 41.25 39.09 2yu6 s ASN 109 CO 0.22 -0.19 1.19 -0.81 -3.72 0.00 0.00 177.10 173.78 2yu6 n PRO 110 N 4.46 0.49 0.01 0.43 -0.04 -1.26 -0.78 135.00 138.30 2yu6 n PRO 110 Ca -0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2yu6 n PRO 110 Cb 0.42 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.91 0.63 -2.88 0.54 8.01 -1.26 -4.42 117.44 117.15 2yu6 n TRP 111 Ca 0.10 0.21 -0.26 0.00 -1.31 0.00 0.00 57.50 56.23 2yu6 n TRP 111 Cb 0.04 -0.96 -0.03 0.00 -2.01 0.00 0.00 31.31 28.36 2yu6 n TRP 111 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2yu6 n ASN 112 N -2.73 4.14 -3.24 -0.99 5.15 -0.93 -4.89 115.26 111.77 2yu6 n ASN 112 Ca -0.12 -3.61 -0.16 0.00 -0.60 0.00 0.00 54.58 50.08 2yu6 n ASN 112 Cb 0.82 -0.55 0.08 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.23 -2.52 -2.45 1.20 8.00 -1.25 -2.11 116.55 117.19 2yu6 n ASP 113 Ca 0.31 -0.56 -0.02 0.00 0.71 0.00 0.00 54.79 55.24 2yu6 n ASP 113 Cb 0.47 -4.72 -0.00 0.00 -0.02 0.00 0.00 41.12 36.84 2yu6 n ASP 113 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2yu6 n ASN 114 N -2.91 -1.33 -4.76 -2.24 5.15 0.04 -4.84 115.26 104.36 2yu6 n ASN 114 Ca -0.23 0.45 -0.40 0.00 -0.60 0.00 0.00 54.58 53.80 2yu6 n ASN 114 Cb 0.64 -1.28 -0.04 0.00 -0.53 0.00 0.00 39.78 38.58 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2yu6 s LYS 115 N -4.91 4.51 0.32 1.20 -0.14 -0.89 -4.18 119.74 115.65 2yu6 s LYS 115 Ca 0.00 1.79 -0.24 0.00 -1.36 0.00 0.00 55.97 56.16 2yu6 s LYS 115 Cb 0.00 -3.06 -0.16 0.00 -1.68 0.00 0.00 37.83 32.94 2yu6 s LYS 115 CO 0.00 0.10 0.35 1.17 -0.76 0.00 0.00 175.35 176.21 2yu6 n LYS 116 N 0.91 0.12 -0.02 1.68 4.81 -1.26 0.15 118.16 124.54 2yu6 n LYS 116 Ca 0.00 0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.34 2yu6 n LYS 116 Cb 0.45 -1.09 -0.10 0.00 0.02 0.00 0.00 35.03 34.32 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 0.71 0.00 -1.46 3.15 2.07 -1.79 0.70 116.25 119.64 2yu6 h VAL 117 Ca -0.34 0.00 0.49 0.00 0.82 0.00 0.00 66.70 67.67 2yu6 h VAL 117 Cb 1.43 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.08 2yu6 h VAL 117 CO 0.52 0.00 0.96 0.00 0.02 0.00 0.00 177.57 179.07 2yu6 n GLN 118 N -5.30 -0.03 -1.10 1.57 10.64 -1.26 -2.55 117.38 119.35 2yu6 n GLN 118 Ca -0.06 1.21 -0.35 0.00 -1.83 0.00 0.00 57.00 55.97 2yu6 n GLN 118 Cb 0.36 -2.44 -0.03 0.00 -0.86 0.00 0.00 30.24 27.27 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 -4.56 2.52 -3.82 -0.39 5.41 0.24 -4.80 119.36 113.96 2yu6 n ILE 119 Ca 0.40 -1.84 -0.19 0.00 1.00 0.00 0.00 62.75 62.13 2yu6 n ILE 119 Cb 1.62 -2.32 -0.17 0.00 -0.71 0.00 0.00 39.64 38.06 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 3.89 0.78 0.34 4.38 0.01 -1.06 -4.83 113.70 117.22 2yu6 s SER 120 Ca 0.51 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.49 2yu6 s SER 120 Cb 0.13 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 66.04 2yu6 s SER 120 CO 0.02 -0.16 1.13 -0.13 0.41 0.00 0.00 173.24 174.51 2yu6 s ARG 121 N 1.48 4.34 -0.18 12.44 1.81 -1.26 -4.79 118.95 132.78 2yu6 s ARG 121 Ca -0.03 1.80 -0.42 0.00 -1.72 0.00 0.00 55.73 55.36 2yu6 s ARG 121 Cb -0.13 -2.90 -0.19 0.00 -0.45 0.00 0.00 34.95 31.28 2yu6 s ARG 121 CO -0.03 -0.06 1.31 -0.40 -0.68 0.00 0.00 175.30 175.45 2yu6 n ASP 122 N 0.57 0.69 0.00 0.23 5.68 -1.26 -0.36 116.55 122.11 2yu6 n ASP 122 Ca 0.02 1.16 0.00 0.00 -0.50 0.00 0.00 54.79 55.47 2yu6 n ASP 122 Cb 0.46 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 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 2.60 0.47 3.81 6.12 0.00 -0.37 -4.92 105.19 112.90 2yu6 n GLY 123 Ca 0.24 -0.92 -0.38 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 -2.61 4.07 0.15 1.61 2.00 0.52 -4.94 119.66 120.45 2yu6 s GLN 124 Ca 0.00 0.51 -0.31 0.00 -2.00 0.00 0.00 55.36 53.57 2yu6 s GLN 124 Cb 0.00 -3.26 -0.08 0.00 0.80 0.00 0.00 33.01 30.47 2yu6 s GLN 124 CO 0.00 0.59 1.33 -2.00 -0.50 0.00 0.00 175.29 174.71 2yu6 s GLU 125 N -0.82 4.37 -0.14 1.67 2.56 -1.26 -3.30 118.70 121.78 2yu6 s GLU 125 Ca 0.26 2.03 0.02 0.00 0.00 0.00 0.00 54.97 57.28 2yu6 s GLU 125 Cb -0.17 -3.23 0.01 0.00 2.00 0.00 0.00 34.13 32.74 2yu6 s GLU 125 CO 0.14 -0.33 -0.20 -1.17 -0.56 0.00 0.00 175.26 173.15 2yu6 s LEU 126 N 0.52 2.01 0.34 2.70 2.96 -1.04 -4.98 118.68 121.18 2yu6 s LEU 126 Ca 0.60 -0.57 -0.28 0.00 -0.22 0.00 0.00 54.13 53.66 2yu6 s LEU 126 Cb -0.36 -1.37 -0.12 0.00 0.50 0.00 0.00 46.19 44.84 2yu6 s LEU 126 CO 0.34 0.05 1.32 1.21 -1.32 0.00 0.00 176.35 177.95 2yu6 n GLU 127 N 4.23 2.18 0.00 1.98 2.13 -1.26 -4.14 120.64 125.76 2yu6 n GLU 127 Ca -0.20 0.76 0.07 0.00 0.66 0.00 0.00 57.16 58.46 2yu6 n GLU 127 Cb 0.51 -2.37 0.36 0.00 0.27 0.00 0.00 31.44 30.22 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 0.69 0.18 0.04 5.31 -0.04 -1.26 -0.75 135.00 139.17 2yu6 n PRO 128 Ca 0.05 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 2yu6 n PRO 128 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.31 0.01 0.54 -0.00 -2.00 -3.18 115.11 110.79 2yu6 h GLN 129 Ca 0.00 -0.52 -0.32 0.00 -0.00 0.00 0.00 58.65 57.81 2yu6 h GLN 129 Cb 0.15 0.20 -0.05 0.00 0.00 0.00 0.00 27.48 27.78 2yu6 h GLN 129 CO 0.00 1.25 -1.91 1.33 0.00 0.00 0.00 178.83 179.50 2yu6 n VAL 130 N -3.85 1.58 0.17 2.39 0.24 -1.12 -3.83 118.33 113.91 2yu6 n VAL 130 Ca -0.23 -0.79 0.03 0.00 -2.04 0.00 0.00 64.34 61.31 2yu6 n VAL 130 Cb 0.95 -1.00 0.31 0.00 -1.47 0.00 0.00 33.84 32.62 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 3.31 0.00 0.29 7.63 0.00 -1.13 -2.17 103.07 111.00 2yu6 h GLY 131 Ca -0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 2yu6 h GLY 131 CO 0.06 0.00 -0.01 1.05 0.00 0.00 0.00 176.54 177.64 2yu6 h GLU 132 N 0.00 -0.03 0.00 4.80 4.11 -1.71 -3.15 114.58 118.60 2yu6 h GLU 132 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2yu6 h GLU 132 Cb 0.87 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2yu6 h GLU 132 CO 0.06 0.63 0.00 0.00 0.07 0.00 0.00 179.01 179.77 2yu6 n GLN 133 N -4.77 0.00 0.10 1.06 10.64 -1.22 -2.50 117.38 120.69 2yu6 n GLN 133 Ca -0.09 0.24 -0.16 0.00 -1.83 0.00 0.00 57.00 55.16 2yu6 n GLN 133 Cb 0.33 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.10 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 0.47 -0.04 2.61 5.85 -1.35 -3.34 115.31 119.51 2yu6 h LEU 134 Ca 0.00 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 2yu6 h LEU 134 Cb 0.26 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2yu6 h LEU 134 CO 0.00 1.34 -0.10 -0.07 -0.34 0.00 0.00 178.44 179.27 2yu6 h LEU 135 N 0.11 0.15 -1.35 2.25 3.38 -1.47 -3.10 115.31 115.28 2yu6 h LEU 135 Ca -0.13 -0.61 0.23 0.00 0.09 0.00 0.00 57.88 57.47 2yu6 h LEU 135 Cb 1.89 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 2yu6 h LEU 135 CO 0.20 0.73 0.96 0.06 0.09 0.00 0.00 178.44 180.47 2yu6 h GLN 136 N -0.42 0.00 -0.69 1.13 3.07 -1.67 0.32 115.11 116.84 2yu6 h GLN 136 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.83 2yu6 h GLN 136 Cb 0.71 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.20 2yu6 h GLN 136 CO 0.02 0.00 0.33 -0.07 0.09 0.00 0.00 178.83 179.20 2yu6 h LEU 137 N 0.00 0.41 -1.91 0.06 3.38 -1.66 0.17 115.31 115.77 2yu6 h LEU 137 Ca 0.38 0.07 0.25 0.00 0.09 0.00 0.00 57.88 58.67 2yu6 h LEU 137 Cb 2.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 43.00 2yu6 h LEU 137 CO -0.00 0.23 0.63 -0.50 0.09 0.00 0.00 178.44 178.89 2yu6 h TRP 138 N 0.56 0.10 0.00 1.13 6.55 -0.56 0.56 115.95 124.29 2yu6 h TRP 138 Ca 0.35 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 60.11 2yu6 h TRP 138 Cb 0.38 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 2yu6 h TRP 138 CO -0.12 0.02 -0.38 0.93 -1.05 0.00 0.00 178.44 177.84 2yu6 h GLU 139 N 0.07 0.00 0.00 0.49 5.08 -1.10 -2.62 114.58 116.50 2yu6 h GLU 139 Ca 0.43 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.74 2yu6 h GLU 139 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 2yu6 h GLU 139 CO -0.04 0.38 -0.27 0.00 -1.00 0.00 0.00 179.01 178.08 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 2.47 0.13 -3.53 114.38 115.78 2yu6 h ARG 140 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2yu6 h ARG 140 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2yu6 h ARG 140 CO 0.05 0.27 0.00 1.28 0.56 0.00 0.00 179.97 182.13