#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 s SER 2 N 0.00 5.48 -0.54 1.61 1.04 -1.26 -5.04 113.70 114.99 2yu6 s SER 2 Ca 0.00 -1.47 -0.27 0.00 0.48 0.00 0.00 55.95 54.69 2yu6 s SER 2 Cb 0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 2yu6 s SER 2 CO 0.00 -0.47 2.03 -0.94 0.98 0.00 0.00 173.24 174.83 2yu6 s SER 3 N 1.87 5.08 -0.60 7.02 1.04 -1.26 -4.87 113.70 121.98 2yu6 s SER 3 Ca 0.02 0.67 0.06 0.00 0.48 0.00 0.00 55.95 57.18 2yu6 s SER 3 Cb -0.22 -2.52 0.29 0.00 0.10 0.00 0.00 66.02 63.67 2yu6 s SER 3 CO 0.01 -2.46 0.82 0.61 0.98 0.00 0.00 173.24 173.20 2yu6 n GLY 4 N 5.77 5.05 0.11 7.32 0.00 -1.26 -4.87 105.19 117.31 2yu6 n GLY 4 Ca 0.26 -2.72 -0.15 0.00 0.00 0.00 0.00 46.02 43.41 2yu6 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yu6 h SER 5 N 3.65 0.28 -1.93 1.61 4.64 -1.97 -3.46 113.55 116.37 2yu6 h SER 5 Ca 0.16 -0.71 -0.43 0.00 -0.47 0.00 0.00 61.79 60.34 2yu6 h SER 5 Cb 0.61 -0.08 0.04 0.00 -0.31 0.00 0.00 62.40 62.65 2yu6 h SER 5 CO 0.81 0.94 -0.13 -0.55 -0.87 0.00 0.00 176.83 177.03 2yu6 s SER 6 N -6.30 5.38 0.08 4.97 0.15 -1.26 -5.12 113.70 111.60 2yu6 s SER 6 Ca -0.15 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.25 2yu6 s SER 6 Cb 0.02 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2yu6 s SER 6 CO 0.75 -1.03 0.06 0.61 1.20 0.00 0.00 173.24 174.83 2yu6 n GLY 7 N -2.15 3.08 3.82 9.45 0.00 -1.26 -4.26 105.19 113.86 2yu6 n GLY 7 Ca 0.09 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.47 4.39 0.55 1.61 0.11 -1.26 -3.35 120.40 121.98 2yu6 s VAL 8 Ca 0.04 1.46 0.09 0.00 -2.93 0.00 0.00 61.98 60.65 2yu6 s VAL 8 Cb -0.00 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.31 2yu6 s VAL 8 CO 0.03 -0.35 0.69 -0.13 -3.33 0.00 0.00 175.10 172.02 2yu6 s ARG 9 N -3.25 2.36 -0.00 1.54 1.81 -0.91 -4.93 118.95 115.57 2yu6 s ARG 9 Ca 0.62 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 52.97 2yu6 s ARG 9 Cb -0.09 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 2yu6 s ARG 9 CO 0.14 -0.74 -0.01 0.71 -0.68 0.00 0.00 175.30 174.73 2yu6 s TYR 10 N -2.65 0.07 0.11 -0.53 1.51 -1.26 -1.08 117.35 113.53 2yu6 s TYR 10 Ca 0.56 -0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.58 2yu6 s TYR 10 Cb -0.05 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.71 2yu6 s TYR 10 CO 0.35 -0.00 0.08 -0.06 -1.11 0.00 0.00 175.55 174.81 2yu6 s PHE 11 N 0.01 0.61 -0.21 2.71 0.40 -0.33 -0.92 117.98 120.24 2yu6 s PHE 11 Ca 0.00 -1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 55.29 2yu6 s PHE 11 Cb -0.01 -0.34 0.02 0.00 0.51 0.00 0.00 43.02 43.20 2yu6 s PHE 11 CO -0.00 -0.51 -0.12 0.42 0.70 0.00 0.00 175.22 175.71 2yu6 s ILE 12 N -3.98 2.61 -0.36 0.64 -1.09 -1.11 -0.45 121.20 117.47 2yu6 s ILE 12 Ca 0.16 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.61 2yu6 s ILE 12 Cb 0.07 -2.22 0.04 0.00 -1.58 0.00 0.00 42.46 38.77 2yu6 s ILE 12 CO -0.03 0.38 0.14 -0.04 -1.23 0.00 0.00 174.94 174.16 2yu6 s MET 13 N 1.34 2.64 -0.08 2.79 -1.94 0.06 -2.05 119.30 122.06 2yu6 s MET 13 Ca 0.03 -1.20 -0.20 0.00 -1.71 0.00 0.00 55.69 52.61 2yu6 s MET 13 Cb -0.15 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 2yu6 s MET 13 CO -0.08 -0.71 0.56 0.15 -0.01 0.00 0.00 175.02 174.93 2yu6 s LYS 14 N 1.43 4.35 -0.17 2.03 -0.14 -1.26 -1.57 119.74 124.40 2yu6 s LYS 14 Ca -0.00 0.62 0.01 0.00 -1.36 0.00 0.00 55.97 55.24 2yu6 s LYS 14 Cb -0.20 -3.41 0.02 0.00 -1.68 0.00 0.00 37.83 32.56 2yu6 s LYS 14 CO 0.03 0.20 -0.18 0.45 -0.76 0.00 0.00 175.35 175.09 2yu6 s SER 15 N 0.43 2.95 0.09 2.83 0.15 -1.12 -4.86 113.70 114.16 2yu6 s SER 15 Ca 0.30 -0.58 -0.29 0.00 0.70 0.00 0.00 55.95 56.08 2yu6 s SER 15 Cb -0.17 -1.36 -0.15 0.00 -1.71 0.00 0.00 66.02 62.64 2yu6 s SER 15 CO 0.14 -0.02 1.66 0.28 1.20 0.00 0.00 173.24 176.50 2yu6 h SER 16 N 7.95 -0.59 -3.31 5.45 0.02 -1.93 -1.91 113.55 119.23 2yu6 h SER 16 Ca -0.42 0.04 -0.65 0.00 -0.84 0.00 0.00 61.79 59.92 2yu6 h SER 16 Cb 1.14 0.18 -0.11 0.00 0.14 0.00 0.00 62.40 63.75 2yu6 h SER 16 CO 0.59 -0.36 -0.65 0.20 -1.14 0.00 0.00 176.83 175.47 2yu6 s ASN 17 N -4.71 5.14 0.04 3.07 0.01 -1.26 -4.36 114.94 112.87 2yu6 s ASN 17 Ca -0.16 -0.14 -0.21 0.00 -0.71 0.00 0.00 52.86 51.65 2yu6 s ASN 17 Cb 0.05 -1.26 -0.14 0.00 0.41 0.00 0.00 41.25 40.31 2yu6 s ASN 17 CO 0.64 0.18 1.37 0.25 -1.51 0.00 0.00 177.10 178.02 2yu6 h LEU 18 N 3.41 0.34 -0.84 0.60 7.12 -1.98 -3.23 115.31 120.73 2yu6 h LEU 18 Ca -0.47 -0.45 0.16 0.00 0.13 0.00 0.00 57.88 57.25 2yu6 h LEU 18 Cb 1.16 -0.09 -0.16 0.00 -0.53 0.00 0.00 40.66 41.04 2yu6 h LEU 18 CO 0.61 0.72 -0.26 -0.09 -0.13 0.00 0.00 178.44 179.29 2yu6 h ARG 19 N -0.04 -0.02 -1.09 1.25 9.65 -1.99 0.71 114.38 122.85 2yu6 h ARG 19 Ca 0.03 0.00 0.32 0.00 -1.10 0.00 0.00 59.98 59.23 2yu6 h ARG 19 Cb 0.60 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.07 2yu6 h ARG 19 CO 0.03 -0.01 0.67 -0.91 2.80 0.00 0.00 179.97 182.55 2yu6 h ASN 20 N -0.02 0.45 0.05 -3.80 2.35 -1.99 0.62 115.58 113.24 2yu6 h ASN 20 Ca 0.38 0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 56.08 2yu6 h ASN 20 Cb 0.61 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 2yu6 h ASN 20 CO -0.87 -0.03 -0.64 0.25 -1.65 0.00 0.00 177.43 174.48 2yu6 h LEU 21 N 0.33 0.64 -0.96 1.61 5.85 0.30 -3.17 115.31 119.91 2yu6 h LEU 21 Ca 0.69 -0.38 0.21 0.00 0.84 0.00 0.00 57.88 59.24 2yu6 h LEU 21 Cb 1.76 -0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.49 2yu6 h LEU 21 CO -0.43 1.12 0.53 -0.33 -0.34 0.00 0.00 178.44 178.99 2yu6 h GLU 22 N 0.41 0.58 -0.97 1.25 5.08 0.78 0.19 114.58 121.91 2yu6 h GLU 22 Ca -0.01 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 2yu6 h GLU 22 Cb 1.21 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 2yu6 h GLU 22 CO 0.12 0.38 0.61 0.82 -1.00 0.00 0.00 179.01 179.94 2yu6 h ILE 23 N 0.60 0.73 0.00 3.13 5.03 -1.49 0.67 117.51 126.17 2yu6 h ILE 23 Ca 0.58 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 65.10 2yu6 h ILE 23 Cb 1.02 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.81 2yu6 h ILE 23 CO -0.45 0.12 0.00 -1.28 -0.68 0.00 0.00 178.15 175.87 2yu6 h SER 24 N 0.66 0.00 0.30 1.72 0.87 -0.50 0.30 113.55 116.90 2yu6 h SER 24 Ca 0.53 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.76 2yu6 h SER 24 Cb 0.95 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 2yu6 h SER 24 CO -0.29 0.00 -1.82 1.56 -0.53 0.00 0.00 176.83 175.75 2yu6 h GLN 25 N 0.00 0.18 0.00 2.24 4.20 0.43 -3.04 115.11 119.11 2yu6 h GLN 25 Ca 0.00 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 2yu6 h GLN 25 Cb 0.67 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2yu6 h GLN 25 CO 0.00 0.96 -1.12 1.04 -0.67 0.00 0.00 178.83 179.04 2yu6 n GLN 26 N -3.33 0.52 0.13 1.46 1.13 0.40 -4.45 117.38 113.23 2yu6 n GLN 26 Ca -0.24 0.42 -0.01 0.00 -1.94 0.00 0.00 57.00 55.23 2yu6 n GLN 26 Cb 1.05 -1.61 0.24 0.00 0.11 0.00 0.00 30.24 30.03 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 0.11 0.00 -1.09 1.79 -0.61 -3.47 116.57 112.30 2yu6 h LYS 27 Ca -0.19 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2yu6 h LYS 27 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2yu6 h LYS 27 CO -0.12 0.55 0.00 0.41 -1.08 0.00 0.00 179.45 179.22 2yu6 n GLY 28 N -0.13 0.50 3.10 3.86 0.00 -1.00 -4.99 105.19 106.53 2yu6 n GLY 28 Ca -0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 0.11 -0.05 -0.61 -5.25 -1.25 -1.82 121.20 110.33 2yu6 s ILE 29 Ca 0.00 -0.92 0.04 0.00 -0.99 0.00 0.00 60.65 58.78 2yu6 s ILE 29 Cb 0.00 -0.67 -0.00 0.00 2.95 0.00 0.00 42.46 44.74 2yu6 s ILE 29 CO 0.00 -0.51 -0.17 0.86 -1.79 0.00 0.00 174.94 173.34 2yu6 s TRP 30 N -2.05 1.70 -0.29 1.37 -0.11 0.42 -2.93 118.94 117.04 2yu6 s TRP 30 Ca -0.10 -0.51 -0.03 0.00 1.22 0.00 0.00 56.10 56.68 2yu6 s TRP 30 Cb -0.04 -1.15 0.03 0.00 -1.50 0.00 0.00 33.47 30.81 2yu6 s TRP 30 CO -0.02 -0.18 0.02 0.45 -4.62 0.00 0.00 176.95 172.60 2yu6 s SER 31 N 0.11 4.87 0.43 5.86 0.15 -1.26 -3.05 113.70 120.80 2yu6 s SER 31 Ca -0.05 -1.05 0.07 0.00 0.70 0.00 0.00 55.95 55.61 2yu6 s SER 31 Cb -0.12 -1.76 -0.05 0.00 -1.71 0.00 0.00 66.02 62.38 2yu6 s SER 31 CO 0.02 -0.23 0.16 0.28 1.20 0.00 0.00 173.24 174.68 2yu6 s THR 32 N 1.34 2.16 0.40 6.45 -1.32 -1.26 -4.97 115.64 118.43 2yu6 s THR 32 Ca -0.02 -1.74 -0.27 0.00 -1.21 0.00 0.00 61.69 58.45 2yu6 s THR 32 Cb -0.18 -2.90 -0.10 0.00 -1.51 0.00 0.00 72.50 67.80 2yu6 s THR 32 CO -0.01 0.00 1.38 1.07 -2.21 0.00 0.00 174.62 174.86 2yu6 n THR 33 N -1.23 2.34 0.98 5.08 5.66 -1.26 -4.19 114.28 121.65 2yu6 n THR 33 Ca -0.03 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.52 2yu6 n THR 33 Cb 0.65 -1.76 0.26 0.00 -1.55 0.00 0.00 70.33 67.93 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 0.20 0.49 0.00 1.09 -0.04 -1.26 -1.91 135.00 133.57 2yu6 n PRO 34 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.28 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.32 0.00 3.54 7.64 -1.26 -4.28 113.62 120.80 2yu6 n SER 35 Ca 0.07 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.29 2yu6 n SER 35 Cb 0.03 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.52 0.70 -0.08 6.43 3.02 -0.80 -4.80 115.26 120.25 2yu6 n ASN 36 Ca 0.10 -1.25 -0.13 0.00 -0.03 0.00 0.00 54.58 53.27 2yu6 n ASN 36 Cb 0.48 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.58 0.00 3.52 4.39 -1.72 -3.33 114.58 118.02 2yu6 h GLU 37 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2yu6 h GLU 37 Cb 0.56 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2yu6 h GLU 37 CO 0.00 0.89 0.00 -2.13 -1.16 0.00 0.00 179.01 176.61 2yu6 n ARG 38 N -4.38 0.00 -0.21 2.33 0.63 -1.26 0.22 116.66 113.99 2yu6 n ARG 38 Ca -0.05 0.68 -0.06 0.00 -0.92 0.00 0.00 57.85 57.51 2yu6 n ARG 38 Cb 0.42 -1.07 -0.05 0.00 0.45 0.00 0.00 32.46 32.22 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 -2.27 -0.22 -0.34 -0.14 2.85 -1.25 0.11 118.16 116.89 2yu6 n LYS 39 Ca 0.00 1.19 0.23 0.00 -1.05 0.00 0.00 58.31 58.69 2yu6 n LYS 39 Cb 0.00 -1.77 0.50 0.00 -0.65 0.00 0.00 35.03 33.11 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 0.47 0.08 -5.58 3.38 -1.33 0.49 115.31 112.82 2yu6 h LEU 40 Ca 0.08 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2yu6 h LEU 40 Cb 0.21 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2yu6 h LEU 40 CO -0.48 0.06 -0.04 0.78 0.09 0.00 0.00 178.44 178.85 2yu6 h ASN 41 N 0.39 -0.09 0.20 -0.43 4.21 0.53 -3.01 115.58 117.38 2yu6 h ASN 41 Ca 0.63 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.14 2yu6 h ASN 41 Cb 1.57 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 38.76 2yu6 h ASN 41 CO -0.35 -0.01 -0.40 -0.09 -1.29 0.00 0.00 177.43 175.29 2yu6 h ARG 42 N -0.22 -0.63 -0.91 0.81 9.65 0.25 -2.31 114.38 121.02 2yu6 h ARG 42 Ca -0.01 0.04 0.21 0.00 -1.10 0.00 0.00 59.98 59.12 2yu6 h ARG 42 Cb 0.08 0.14 -0.17 0.00 -1.39 0.00 0.00 29.97 28.63 2yu6 h ARG 42 CO 0.02 -0.42 -0.12 0.00 2.80 0.00 0.00 179.97 182.25 2yu6 n ALA 43 N -2.77 0.33 -0.31 2.80 0.00 0.17 0.11 120.51 120.84 2yu6 n ALA 43 Ca -0.08 0.99 0.15 0.00 0.00 0.00 0.00 53.44 54.50 2yu6 n ALA 43 Cb 0.33 -0.65 0.32 0.00 0.00 0.00 0.00 19.45 19.45 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 0.37 0.04 0.00 3.57 -1.27 1.49 116.94 121.14 2yu6 h PHE 44 Ca 0.49 0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.84 2yu6 h PHE 44 Cb 0.87 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2yu6 h PHE 44 CO -0.60 -0.25 -1.06 -1.49 -2.23 0.00 0.00 178.31 172.68 2yu6 h TRP 45 N 0.18 0.15 0.00 0.41 6.55 0.77 -3.33 115.95 120.69 2yu6 h TRP 45 Ca 0.59 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 60.32 2yu6 h TRP 45 Cb 1.23 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.52 2yu6 h TRP 45 CO -0.26 1.42 0.00 0.39 -1.05 0.00 0.00 178.44 178.94 2yu6 n GLU 46 N -4.29 0.05 -4.22 0.49 1.02 0.79 -4.67 120.64 109.81 2yu6 n GLU 46 Ca -0.25 0.48 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 2yu6 n GLU 46 Cb 0.72 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.35 1.18 0.02 1.62 0.01 0.50 -4.75 113.70 108.93 2yu6 s SER 47 Ca 0.01 -1.13 -0.25 0.00 1.31 0.00 0.00 55.95 55.89 2yu6 s SER 47 Cb 0.04 0.11 -0.17 0.00 0.21 0.00 0.00 66.02 66.22 2yu6 s SER 47 CO 0.13 -0.54 1.31 0.28 0.41 0.00 0.00 173.24 174.83 2yu6 h SER 48 N 2.77 -0.30 -4.73 2.44 0.02 -1.73 -3.42 113.55 108.60 2yu6 h SER 48 Ca -0.36 -0.18 -0.36 0.00 -0.84 0.00 0.00 61.79 60.04 2yu6 h SER 48 Cb 1.19 0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.67 2yu6 h SER 48 CO 0.63 0.04 -0.59 -0.63 -1.14 0.00 0.00 176.83 175.14 2yu6 s ILE 49 N -4.85 0.39 -0.30 3.27 1.01 -1.26 -4.96 121.20 114.49 2yu6 s ILE 49 Ca -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.49 2yu6 s ILE 49 Cb 0.03 -2.57 0.10 0.00 0.01 0.00 0.00 42.46 40.03 2yu6 s ILE 49 CO 0.58 0.00 0.11 -0.69 0.00 0.00 0.00 174.94 174.94 2yu6 s VAL 50 N -3.74 0.54 -0.20 2.92 1.01 -1.26 -2.14 120.40 117.54 2yu6 s VAL 50 Ca 0.37 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 2yu6 s VAL 50 Cb 0.06 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2yu6 s VAL 50 CO 0.15 -0.70 0.94 -0.31 0.00 0.00 0.00 175.10 175.19 2yu6 s TYR 51 N 1.79 3.38 -0.26 5.22 2.02 -0.24 -0.58 117.35 128.67 2yu6 s TYR 51 Ca 0.10 1.37 -0.01 0.00 -0.37 0.00 0.00 57.07 58.16 2yu6 s TYR 51 Cb -0.17 -3.15 0.04 0.00 -0.40 0.00 0.00 41.96 38.28 2yu6 s TYR 51 CO -0.29 -0.37 -0.06 -0.51 -1.57 0.00 0.00 175.55 172.75 2yu6 s LEU 52 N 2.69 3.33 -0.48 -1.29 1.43 -0.52 -1.19 118.68 122.64 2yu6 s LEU 52 Ca 0.41 -1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 2yu6 s LEU 52 Cb -0.16 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.44 2yu6 s LEU 52 CO 0.10 -0.16 0.75 -0.69 0.23 0.00 0.00 176.35 176.58 2yu6 s VAL 53 N 1.28 4.69 0.04 -1.59 1.01 0.41 -0.97 120.40 125.26 2yu6 s VAL 53 Ca -0.02 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 2yu6 s VAL 53 Cb -0.18 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 2yu6 s VAL 53 CO -0.04 -0.78 0.47 -0.36 0.00 0.00 0.00 175.10 174.39 2yu6 s PHE 54 N 3.17 3.73 -0.23 5.22 0.40 0.81 -0.76 117.98 130.33 2yu6 s PHE 54 Ca 0.25 1.07 -0.07 0.00 -0.60 0.00 0.00 56.93 57.59 2yu6 s PHE 54 Cb -0.14 -2.35 0.11 0.00 0.51 0.00 0.00 43.02 41.15 2yu6 s PHE 54 CO 0.19 0.60 0.46 0.45 0.70 0.00 0.00 175.22 177.62 2yu6 s SER 55 N -1.20 -0.41 0.32 1.36 0.15 -0.61 -2.34 113.70 110.97 2yu6 s SER 55 Ca 0.27 1.00 -0.29 0.00 0.70 0.00 0.00 55.95 57.64 2yu6 s SER 55 Cb -0.17 1.54 -0.10 0.00 -1.71 0.00 0.00 66.02 65.58 2yu6 s SER 55 CO 0.16 -0.24 1.21 -0.69 1.20 0.00 0.00 173.24 174.88 2yu6 s VAL 56 N 2.67 3.07 0.00 4.45 1.01 -1.26 -2.81 120.40 127.53 2yu6 s VAL 56 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 2yu6 s VAL 56 Cb -0.13 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 2yu6 s VAL 56 CO -0.15 0.23 1.55 0.00 0.00 0.00 0.00 175.10 176.73 2yu6 s GLN 57 N -1.72 4.23 0.00 2.72 1.03 -0.72 -2.94 119.66 122.26 2yu6 s GLN 57 Ca 0.48 2.14 0.00 0.00 0.04 0.00 0.00 55.36 58.02 2yu6 s GLN 57 Cb -0.36 -3.70 0.00 0.00 0.03 0.00 0.00 33.01 28.99 2yu6 s GLN 57 CO 0.47 -0.70 0.00 0.41 -2.54 0.00 0.00 175.29 172.92 2yu6 n GLY 58 N 3.89 2.78 0.26 2.60 0.00 -1.26 -4.88 105.19 108.57 2yu6 n GLY 58 Ca 0.15 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu6 n SER 59 N 1.59 -0.41 0.00 1.61 3.41 -1.15 -4.80 113.62 113.86 2yu6 n SER 59 Ca 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 2yu6 n SER 59 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu6 n GLY 60 N -1.34 3.15 4.00 5.00 0.00 -1.26 -5.05 105.19 109.69 2yu6 n GLY 60 Ca 0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 2yu6 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yu6 s HIS 61 N -0.19 2.61 -0.57 1.61 3.76 -1.26 -3.78 115.29 117.48 2yu6 s HIS 61 Ca 0.00 -0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 54.37 2yu6 s HIS 61 Cb 0.00 -2.50 0.05 0.00 1.11 0.00 0.00 32.58 31.24 2yu6 s HIS 61 CO 0.00 -0.70 0.88 -0.06 -0.85 0.00 0.00 174.74 174.01 2yu6 s PHE 62 N -2.55 2.82 0.62 1.40 0.08 0.33 -4.54 117.98 116.14 2yu6 s PHE 62 Ca 0.57 -0.27 0.22 0.00 0.12 0.00 0.00 56.93 57.57 2yu6 s PHE 62 Cb -0.09 -4.01 0.83 0.00 -0.57 0.00 0.00 43.02 39.17 2yu6 s PHE 62 CO 0.36 -1.35 1.33 1.96 -0.10 0.00 0.00 175.22 177.41 2yu6 h GLN 63 N 9.30 0.00 0.00 0.44 1.08 -1.76 -3.27 115.11 120.90 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 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2yu6 h GLN 63 CO 1.08 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.37 2yu6 n GLY 64 N -1.64 0.63 3.10 3.46 0.00 -1.04 -4.56 105.19 105.14 2yu6 n GLY 64 Ca 0.16 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N -1.00 0.62 -0.12 1.61 -0.71 -1.25 -0.14 117.98 116.99 2yu6 s PHE 65 Ca 0.00 -0.92 -0.08 0.00 -1.04 0.00 0.00 56.93 54.90 2yu6 s PHE 65 Cb 0.00 -0.41 0.05 0.00 -1.21 0.00 0.00 43.02 41.45 2yu6 s PHE 65 CO 0.00 -0.26 0.31 -1.12 -1.34 0.00 0.00 175.22 172.80 2yu6 s SER 66 N -2.70 -0.35 -0.06 1.98 0.01 -0.14 -3.12 113.70 109.32 2yu6 s SER 66 Ca 0.05 0.65 -0.24 0.00 1.31 0.00 0.00 55.95 57.72 2yu6 s SER 66 Cb 0.04 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2yu6 s SER 66 CO -0.07 -0.16 0.72 0.00 0.41 0.00 0.00 173.24 174.15 2yu6 s ARG 67 N 1.01 4.45 0.10 12.44 1.70 0.02 -1.45 118.95 137.22 2yu6 s ARG 67 Ca -0.07 0.91 -0.33 0.00 -0.47 0.00 0.00 55.73 55.78 2yu6 s ARG 67 Cb -0.08 -3.45 -0.12 0.00 -0.57 0.00 0.00 34.95 30.73 2yu6 s ARG 67 CO -0.07 0.06 1.74 -0.12 -1.08 0.00 0.00 175.30 175.82 2yu6 n MET 68 N 3.79 2.42 -0.08 3.89 0.00 0.25 -0.34 117.12 127.04 2yu6 n MET 68 Ca -0.01 0.88 -0.09 0.00 -0.00 0.00 0.00 57.70 58.48 2yu6 n MET 68 Cb 0.51 -2.71 -0.10 0.00 0.00 0.00 0.00 33.22 30.92 2yu6 n MET 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2yu6 n SER 69 N 4.82 1.85 -4.35 6.12 2.88 -1.21 -4.51 113.62 119.22 2yu6 n SER 69 Ca 0.18 -0.03 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 2yu6 n SER 69 Cb 0.32 0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 64.14 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 -5.10 2.68 0.68 -3.46 0.15 -1.25 -5.01 113.70 102.39 2yu6 s SER 70 Ca -0.13 -0.96 -0.09 0.00 0.70 0.00 0.00 55.95 55.46 2yu6 s SER 70 Cb 0.05 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2yu6 s SER 70 CO 0.53 -0.11 1.04 -1.61 1.20 0.00 0.00 173.24 174.29 2yu6 s GLU 71 N -3.32 2.78 0.05 5.44 8.01 -1.26 -4.22 118.70 126.18 2yu6 s GLU 71 Ca 0.20 0.25 -0.19 0.00 0.01 0.00 0.00 54.97 55.24 2yu6 s GLU 71 Cb -0.03 -2.11 -0.06 0.00 -4.31 0.00 0.00 34.13 27.62 2yu6 s GLU 71 CO 0.07 -0.98 0.57 0.42 0.01 0.00 0.00 175.26 175.35 2yu6 s ILE 72 N -3.25 4.81 0.00 -1.63 1.01 -1.26 -4.60 121.20 116.28 2yu6 s ILE 72 Ca 0.57 1.20 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2yu6 s ILE 72 Cb -0.11 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2yu6 s ILE 72 CO 0.49 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.56 2yu6 n GLY 73 N 1.94 -0.01 0.23 6.18 0.00 -1.22 -4.92 105.19 107.40 2yu6 n GLY 73 Ca -0.10 -0.17 0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 -1.68 1.61 3.00 -1.26 -3.92 116.66 114.37 2yu6 n ARG 74 Ca 0.00 0.99 -0.37 0.00 -0.00 0.00 0.00 57.85 58.47 2yu6 n ARG 74 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 32.46 30.66 2yu6 n ARG 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2yu6 s GLU 75 N -5.11 2.29 -0.55 -0.14 2.02 -1.26 -4.86 118.70 111.10 2yu6 s GLU 75 Ca -0.07 1.26 0.06 0.00 0.02 0.00 0.00 54.97 56.24 2yu6 s GLU 75 Cb 0.24 -4.52 0.22 0.00 0.10 0.00 0.00 34.13 30.17 2yu6 s GLU 75 CO 0.56 -3.08 0.56 1.63 0.02 0.00 0.00 175.26 174.95 2yu6 n LYS 76 N 9.03 1.49 -0.35 1.61 4.76 -1.25 0.96 118.16 134.40 2yu6 n LYS 76 Ca 0.32 -3.99 -0.27 0.00 -2.87 0.00 0.00 58.31 51.50 2yu6 n LYS 76 Cb 0.54 -1.89 0.25 0.00 -1.84 0.00 0.00 35.03 32.09 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 1.58 -3.50 0.00 4.39 2.88 -1.26 -4.99 113.62 112.72 2yu6 n SER 77 Ca 0.25 -0.63 -0.00 0.00 -1.33 0.00 0.00 58.87 57.16 2yu6 n SER 77 Cb 0.44 -0.98 -0.00 0.00 -0.75 0.00 0.00 64.21 62.92 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 -4.51 0.01 -1.41 -1.46 3.00 -1.26 -5.00 117.38 106.74 2yu6 n GLN 78 Ca 0.10 0.00 -0.62 0.00 -0.01 0.00 0.00 57.00 56.47 2yu6 n GLN 78 Cb 0.53 -0.15 -0.11 0.00 0.00 0.00 0.00 30.24 30.50 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2yu6 n ASP 79 N -2.61 0.91 -3.53 1.08 8.00 -1.26 -4.89 116.55 114.25 2yu6 n ASP 79 Ca -0.00 0.85 -0.15 0.00 0.71 0.00 0.00 54.79 56.20 2yu6 n ASP 79 Cb 0.01 -0.88 -0.05 0.00 -0.02 0.00 0.00 41.12 40.18 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 4.84 -0.57 0.02 1.24 0.23 -1.26 -5.01 118.94 118.42 2yu6 s TRP 80 Ca 1.13 0.92 -0.19 0.00 -2.03 0.00 0.00 56.10 55.94 2yu6 s TRP 80 Cb -1.48 0.43 -0.24 0.00 0.03 0.00 0.00 33.47 32.22 2yu6 s TRP 80 CO 0.71 -0.55 1.11 0.78 0.96 0.00 0.00 176.95 179.96 2yu6 h GLY 81 N 2.80 0.52 -6.88 0.98 0.00 -1.92 -3.43 103.07 95.14 2yu6 h GLY 81 Ca -0.25 -0.93 -0.67 0.00 0.00 0.00 0.00 47.33 45.48 2yu6 h GLY 81 CO 0.37 0.82 -0.75 -0.56 0.00 0.00 0.00 176.54 176.42 2yu6 s SER 82 N -6.88 4.19 0.49 0.19 0.01 -1.26 -4.98 113.70 105.47 2yu6 s SER 82 Ca -0.12 -0.67 0.17 0.00 1.31 0.00 0.00 55.95 56.64 2yu6 s SER 82 Cb 0.04 -1.68 1.21 0.00 0.21 0.00 0.00 66.02 65.81 2yu6 s SER 82 CO 0.84 -0.08 2.06 0.00 0.41 0.00 0.00 173.24 176.48 2yu6 h ALA 83 N 8.05 2.12 -0.16 1.44 0.00 -1.98 -3.35 119.26 125.39 2yu6 h ALA 83 Ca -0.37 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.14 2yu6 h ALA 83 Cb 1.13 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.93 2yu6 h ALA 83 CO 0.59 -0.19 1.17 0.41 0.00 0.00 0.00 179.25 181.24 2yu6 n GLY 84 N -1.56 0.91 1.79 0.00 0.00 -1.26 -4.79 105.19 100.28 2yu6 n GLY 84 Ca 0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 12.93 0.00 0.00 0.99 4.77 -1.26 -4.91 117.00 129.52 2yu6 n LEU 85 Ca 0.46 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2yu6 n LEU 85 Cb 0.44 0.86 0.00 0.00 -2.33 0.00 0.00 43.42 42.39 2yu6 n LEU 85 CO 0.86 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2yu6 n GLY 86 N -0.18 5.22 3.69 -0.72 0.00 -1.26 -4.94 105.19 106.99 2yu6 n GLY 86 Ca 0.03 -0.93 -0.50 0.00 0.00 0.00 0.00 46.02 44.62 2yu6 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu6 n GLY 87 N 0.00 1.30 3.93 -0.02 0.00 -1.26 -4.92 105.19 104.22 2yu6 n GLY 87 Ca 0.00 0.87 -0.26 0.00 0.00 0.00 0.00 46.02 46.63 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 3.77 5.05 0.07 1.61 1.01 0.27 -4.55 120.40 127.63 2yu6 s VAL 88 Ca 0.93 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 2yu6 s VAL 88 Cb -0.78 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 2yu6 s VAL 88 CO 0.54 -0.57 0.15 0.72 0.00 0.00 0.00 175.10 175.93 2yu6 s PHE 89 N -2.36 0.21 0.55 5.22 -0.71 -1.17 -3.39 117.98 116.33 2yu6 s PHE 89 Ca 0.42 -0.64 -0.12 0.00 -1.04 0.00 0.00 56.93 55.56 2yu6 s PHE 89 Cb -0.10 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.54 2yu6 s PHE 89 CO 0.37 -0.50 0.96 0.15 -1.34 0.00 0.00 175.22 174.86 2yu6 s LYS 90 N -3.69 3.71 -0.07 1.99 1.02 -1.26 -0.43 119.74 121.01 2yu6 s LYS 90 Ca 0.04 0.72 -0.05 0.00 0.02 0.00 0.00 55.97 56.69 2yu6 s LYS 90 Cb 0.05 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 2yu6 s LYS 90 CO -0.10 -0.39 0.18 0.14 -0.92 0.00 0.00 175.35 174.26 2yu6 s VAL 91 N -2.89 -0.02 -0.37 3.17 -7.23 -0.76 -3.32 120.40 108.99 2yu6 s VAL 91 Ca 0.55 0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.59 2yu6 s VAL 91 Cb -0.11 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.57 2yu6 s VAL 91 CO 0.44 0.03 0.60 -0.70 -0.31 0.00 0.00 175.10 175.16 2yu6 s GLU 92 N 0.55 3.60 -0.22 4.82 -6.30 0.54 -4.70 118.70 117.00 2yu6 s GLU 92 Ca -0.04 -0.07 -0.26 0.00 -2.50 0.00 0.00 54.97 52.10 2yu6 s GLU 92 Cb -0.05 -3.83 -0.00 0.00 0.00 0.00 0.00 34.13 30.24 2yu6 s GLU 92 CO -0.03 -0.75 0.88 -1.58 0.02 0.00 0.00 175.26 173.81 2yu6 s TRP 93 N 2.63 3.35 -0.21 5.30 0.52 -1.26 -0.80 118.94 128.47 2yu6 s TRP 93 Ca 0.22 1.26 -0.16 0.00 0.02 0.00 0.00 56.10 57.44 2yu6 s TRP 93 Cb -0.15 -3.09 -0.09 0.00 -1.15 0.00 0.00 33.47 28.99 2yu6 s TRP 93 CO 0.15 -0.37 -0.25 -0.89 0.02 0.00 0.00 176.95 175.61 2yu6 n ILE 94 N 5.11 1.50 -5.03 2.03 -0.00 -1.18 -4.98 119.36 116.80 2yu6 n ILE 94 Ca 0.07 -0.04 -0.28 0.00 -0.00 0.00 0.00 62.75 62.50 2yu6 n ILE 94 Cb 0.48 -2.17 -0.16 0.00 -0.00 0.00 0.00 39.64 37.79 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 -2.60 2.04 0.00 0.38 1.81 -1.26 -5.00 118.95 114.32 2yu6 s ARG 95 Ca -0.30 -0.74 0.09 0.00 -1.72 0.00 0.00 55.73 53.05 2yu6 s ARG 95 Cb 0.07 -1.79 0.03 0.00 -0.45 0.00 0.00 34.95 32.82 2yu6 s ARG 95 CO 0.43 0.34 0.68 1.63 -0.68 0.00 0.00 175.30 177.70 2yu6 n LYS 96 N 2.95 1.19 -2.37 3.54 5.02 -1.26 -3.82 118.16 123.41 2yu6 n LYS 96 Ca -0.17 -0.79 -0.36 0.00 -2.02 0.00 0.00 58.31 54.96 2yu6 n LYS 96 Cb 0.53 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.97 3.78 -0.09 1.97 2.56 -1.26 -4.84 118.70 119.86 2yu6 s GLU 97 Ca 0.09 1.62 -0.21 0.00 0.00 0.00 0.00 54.97 56.47 2yu6 s GLU 97 Cb 0.07 -2.31 -0.04 0.00 2.00 0.00 0.00 34.13 33.85 2yu6 s GLU 97 CO 0.16 -0.49 0.58 -1.12 -0.56 0.00 0.00 175.26 173.83 2yu6 s SER 98 N -1.59 6.84 -0.16 -1.70 0.01 -1.26 -4.41 113.70 111.43 2yu6 s SER 98 Ca 0.65 1.00 -0.01 0.00 1.31 0.00 0.00 55.95 58.89 2yu6 s SER 98 Cb -0.24 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2yu6 s SER 98 CO 0.29 -0.04 -0.10 -0.22 0.41 0.00 0.00 173.24 173.58 2yu6 s LEU 99 N 0.63 2.79 0.29 2.44 2.96 -1.23 -4.85 118.68 121.71 2yu6 s LEU 99 Ca 0.31 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 2yu6 s LEU 99 Cb -0.16 -1.65 -0.10 0.00 0.50 0.00 0.00 46.19 44.77 2yu6 s LEU 99 CO 0.14 0.11 1.24 -2.16 -1.32 0.00 0.00 176.35 174.36 2yu6 s PRO 100 N 0.67 4.45 0.52 0.98 0.04 -1.26 -0.52 135.00 139.88 2yu6 s PRO 100 Ca -0.05 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.31 2yu6 s PRO 100 Cb -0.15 -3.13 1.39 0.00 0.04 0.00 0.00 34.50 32.65 2yu6 s PRO 100 CO 0.02 -0.07 1.94 0.74 0.04 0.00 0.00 177.00 179.67 2yu6 h PHE 101 N 3.85 0.07 -0.74 0.56 0.04 -1.95 0.22 116.94 118.99 2yu6 h PHE 101 Ca -0.48 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.51 2yu6 h PHE 101 Cb 1.22 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 2yu6 h PHE 101 CO 0.58 0.02 0.70 1.96 -0.60 0.00 0.00 178.31 180.97 2yu6 h GLN 102 N 0.06 0.00 0.12 1.51 4.20 -1.92 0.74 115.11 119.82 2yu6 h GLN 102 Ca 0.34 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.77 2yu6 h GLN 102 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2yu6 h GLN 102 CO -0.02 0.00 -1.30 0.74 -0.67 0.00 0.00 178.83 177.58 2yu6 h PHE 103 N 0.00 0.48 -0.64 2.96 -1.00 -1.32 -3.28 116.94 114.14 2yu6 h PHE 103 Ca 0.35 -0.35 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2yu6 h PHE 103 Cb 1.75 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.30 2yu6 h PHE 103 CO 0.00 1.30 0.00 0.00 -1.61 0.00 0.00 178.31 178.00 2yu6 n ALA 104 N -2.56 3.15 0.34 2.45 0.00 0.20 -4.33 120.51 119.76 2yu6 n ALA 104 Ca -0.10 -1.64 0.15 0.00 0.00 0.00 0.00 53.44 51.85 2yu6 n ALA 104 Cb 1.03 -1.02 0.59 0.00 0.00 0.00 0.00 19.45 20.05 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 4.08 0.00 0.00 0.00 6.17 -0.02 -2.67 115.15 122.71 2yu6 h HIS 105 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 2yu6 h HIS 105 Cb 1.50 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.41 2yu6 h HIS 105 CO 0.80 0.00 -1.46 -2.39 0.71 0.00 0.00 177.93 175.59 2yu6 n HIS 106 N -2.72 0.74 -2.87 5.26 1.44 -1.26 -4.91 115.22 110.90 2yu6 n HIS 106 Ca 0.01 0.23 -0.36 0.00 -2.01 0.00 0.00 57.72 55.60 2yu6 n HIS 106 Cb 0.28 -0.94 -0.06 0.00 0.12 0.00 0.00 29.99 29.38 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 -5.41 4.24 0.31 2.39 1.43 -1.01 -5.07 118.68 115.56 2yu6 s LEU 107 Ca -0.04 1.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 2yu6 s LEU 107 Cb 0.10 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 2yu6 s LEU 107 CO 0.82 -0.12 0.30 -0.76 0.23 0.00 0.00 176.35 176.83 2yu6 s LEU 108 N -2.34 1.47 -0.28 1.79 1.43 -1.26 -3.19 118.68 116.29 2yu6 s LEU 108 Ca 0.52 -1.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2yu6 s LEU 108 Cb -0.16 0.76 0.08 0.00 0.03 0.00 0.00 46.19 46.90 2yu6 s LEU 108 CO 0.21 -1.08 0.01 0.21 0.23 0.00 0.00 176.35 175.92 2yu6 s ASN 109 N -3.30 4.13 0.00 2.29 3.04 0.15 -4.64 114.94 116.61 2yu6 s ASN 109 Ca 0.38 -1.54 0.16 0.00 0.04 0.00 0.00 52.86 51.90 2yu6 s ASN 109 Cb 0.02 -1.22 0.92 0.00 -1.54 0.00 0.00 41.25 39.44 2yu6 s ASN 109 CO 0.23 -0.32 1.35 -0.81 -3.04 0.00 0.00 177.10 174.51 2yu6 n PRO 110 N 4.61 0.48 0.00 0.43 -0.04 -1.26 -1.78 135.00 137.43 2yu6 n PRO 110 Ca -0.06 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2yu6 n PRO 110 Cb 0.43 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.01 0.00 -3.11 0.54 7.02 -1.26 -4.47 117.44 115.15 2yu6 n TRP 111 Ca 0.12 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.39 2yu6 n TRP 111 Cb 0.06 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.91 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 0.16 2.00 -3.48 -0.99 5.15 -0.73 -4.93 115.26 112.44 2yu6 n ASN 112 Ca 0.08 -3.23 -0.19 0.00 -0.60 0.00 0.00 54.58 50.64 2yu6 n ASN 112 Cb 0.39 -0.60 0.09 0.00 -0.53 0.00 0.00 39.78 39.12 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 0.11 -3.15 -2.27 1.20 8.00 -1.26 -2.04 116.55 117.13 2yu6 n ASP 113 Ca 0.27 -0.61 -0.02 0.00 0.71 0.00 0.00 54.79 55.15 2yu6 n ASP 113 Cb 0.58 -5.07 -0.00 0.00 -0.02 0.00 0.00 41.12 36.60 2yu6 n ASP 113 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2yu6 n ASN 114 N -3.10 -0.87 -4.85 -2.24 6.94 -0.89 -4.84 115.26 105.41 2yu6 n ASN 114 Ca -0.21 0.35 -0.32 0.00 -0.02 0.00 0.00 54.58 54.38 2yu6 n ASN 114 Cb 0.64 -0.87 -0.04 0.00 -2.36 0.00 0.00 39.78 37.16 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 -4.30 3.92 0.66 -3.83 -0.14 -0.87 -4.56 119.74 110.62 2yu6 s LYS 115 Ca 0.03 0.80 -0.17 0.00 -1.36 0.00 0.00 55.97 55.27 2yu6 s LYS 115 Cb -0.02 -2.24 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 2yu6 s LYS 115 CO 0.04 -0.15 1.06 1.17 -0.76 0.00 0.00 175.35 176.70 2yu6 n LYS 116 N -1.34 0.80 -0.23 1.68 4.81 -1.26 0.32 118.16 122.94 2yu6 n LYS 116 Ca 0.05 0.33 0.03 0.00 -0.87 0.00 0.00 58.31 57.85 2yu6 n LYS 116 Cb 0.54 -2.29 0.15 0.00 0.02 0.00 0.00 35.03 33.45 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 0.20 0.60 -0.16 3.15 2.07 -1.81 0.40 116.25 120.70 2yu6 h VAL 117 Ca -0.49 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2yu6 h VAL 117 Cb 1.35 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2yu6 h VAL 117 CO 0.50 0.06 0.25 0.06 0.02 0.00 0.00 177.57 178.46 2yu6 h GLN 118 N 0.31 0.00 -3.43 1.57 3.07 -1.88 -3.16 115.11 111.59 2yu6 h GLN 118 Ca 0.37 0.00 -0.75 0.00 0.09 0.00 0.00 58.65 58.36 2yu6 h GLN 118 Cb 0.58 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.00 2yu6 h GLN 118 CO -0.44 0.00 2.16 -0.89 0.09 0.00 0.00 178.83 179.75 2yu6 n ILE 119 N -3.48 4.38 -3.67 1.86 5.41 0.14 -4.87 119.36 119.13 2yu6 n ILE 119 Ca 0.01 -4.28 -0.10 0.00 1.00 0.00 0.00 62.75 59.39 2yu6 n ILE 119 Cb 0.36 -2.35 -0.10 0.00 -0.71 0.00 0.00 39.64 36.84 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 0.96 -0.23 1.02 4.38 0.01 -1.20 -4.75 113.70 113.89 2yu6 s SER 120 Ca 0.42 0.90 -0.14 0.00 1.31 0.00 0.00 55.95 58.44 2yu6 s SER 120 Cb 0.11 1.09 0.20 0.00 0.21 0.00 0.00 66.02 67.63 2yu6 s SER 120 CO -0.01 -0.22 1.13 -0.13 0.41 0.00 0.00 173.24 174.42 2yu6 s ARG 121 N 2.26 0.23 0.34 12.44 3.00 -1.26 -4.87 118.95 131.08 2yu6 s ARG 121 Ca -0.03 0.21 -0.28 0.00 0.00 0.00 0.00 55.73 55.62 2yu6 s ARG 121 Cb -0.11 -1.74 -0.10 0.00 0.00 0.00 0.00 34.95 33.00 2yu6 s ARG 121 CO -0.12 -2.80 1.29 0.16 0.00 0.00 0.00 175.30 173.83 2yu6 s ASP 122 N -3.87 6.76 -0.31 0.23 -4.77 -1.26 -2.90 116.67 110.54 2yu6 s ASP 122 Ca 0.67 2.64 0.00 0.00 -3.30 0.00 0.00 52.55 52.56 2yu6 s ASP 122 Cb -0.14 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.04 2yu6 s ASP 122 CO 0.55 -0.54 0.00 0.61 0.70 0.00 0.00 175.17 176.50 2yu6 n GLY 123 N 0.81 0.50 3.75 2.12 0.00 -0.87 -4.94 105.19 106.55 2yu6 n GLY 123 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.88 4.11 0.01 1.61 -0.44 -1.14 -4.96 119.66 115.97 2yu6 s GLN 124 Ca 0.00 -0.15 -0.30 0.00 -2.50 0.00 0.00 55.36 52.41 2yu6 s GLN 124 Cb 0.00 -3.39 -0.06 0.00 -1.64 0.00 0.00 33.01 27.92 2yu6 s GLN 124 CO 0.00 0.35 1.44 -2.00 0.50 0.00 0.00 175.29 175.58 2yu6 s GLU 125 N 0.20 4.27 -0.09 1.67 2.12 -1.26 -2.76 118.70 122.85 2yu6 s GLU 125 Ca 0.10 2.02 -0.04 0.00 0.36 0.00 0.00 54.97 57.42 2yu6 s GLU 125 Cb -0.12 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2yu6 s GLU 125 CO -0.00 -0.60 0.07 -1.17 -0.54 0.00 0.00 175.26 173.02 2yu6 s LEU 126 N 2.42 3.97 0.33 2.70 2.96 -0.10 -4.91 118.68 126.05 2yu6 s LEU 126 Ca 0.65 0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 54.57 2yu6 s LEU 126 Cb -0.33 -1.98 -0.10 0.00 0.50 0.00 0.00 46.19 44.28 2yu6 s LEU 126 CO 0.27 0.38 1.38 -0.70 -1.32 0.00 0.00 176.35 176.36 2yu6 s GLU 127 N -1.03 4.28 0.32 1.98 2.12 -1.26 -4.04 118.70 121.06 2yu6 s GLU 127 Ca 0.15 2.32 0.11 0.00 0.36 0.00 0.00 54.97 57.91 2yu6 s GLU 127 Cb -0.12 -3.05 0.53 0.00 0.26 0.00 0.00 34.13 31.75 2yu6 s GLU 127 CO 0.04 -0.32 1.72 -1.00 -0.54 0.00 0.00 175.26 175.16 2yu6 h PRO 128 N 3.58 0.03 -0.48 4.30 0.13 -1.91 0.70 132.00 138.34 2yu6 h PRO 128 Ca -0.49 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2yu6 h PRO 128 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2yu6 h PRO 128 CO 0.67 0.51 -0.04 0.37 -0.23 0.00 0.00 178.00 179.28 2yu6 h GLN 129 N 0.02 0.88 0.00 0.86 4.15 -1.98 -1.66 115.11 117.39 2yu6 h GLN 129 Ca -0.00 -0.30 -0.27 0.00 0.77 0.00 0.00 58.65 58.84 2yu6 h GLN 129 Cb 0.87 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 2yu6 h GLN 129 CO 0.06 0.94 -1.75 1.33 -1.93 0.00 0.00 178.83 177.49 2yu6 n VAL 130 N -4.30 1.46 0.21 2.39 0.24 -1.18 -3.81 118.33 113.35 2yu6 n VAL 130 Ca 0.01 -0.78 0.08 0.00 -2.04 0.00 0.00 64.34 61.61 2yu6 n VAL 130 Cb 0.34 -0.88 0.43 0.00 -1.47 0.00 0.00 33.84 32.27 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 3.63 0.00 0.56 7.63 0.00 0.40 -2.12 103.07 113.17 2yu6 h GLY 131 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2yu6 h GLY 131 CO 0.06 0.00 -0.56 1.05 0.00 0.00 0.00 176.54 177.09 2yu6 h GLU 132 N 0.00 0.25 0.00 4.80 4.11 -1.44 -3.24 114.58 119.06 2yu6 h GLU 132 Ca -0.00 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2yu6 h GLU 132 Cb 0.76 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2yu6 h GLU 132 CO 0.04 1.13 0.00 0.00 0.07 0.00 0.00 179.01 180.25 2yu6 n GLN 133 N -4.27 0.02 0.10 1.06 10.64 -1.21 -2.84 117.38 120.87 2yu6 n GLN 133 Ca -0.12 0.14 -0.16 0.00 -1.83 0.00 0.00 57.00 55.04 2yu6 n GLN 133 Cb 0.69 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.44 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 0.41 -0.05 2.61 5.85 -1.41 -3.34 115.31 119.39 2yu6 h LEU 134 Ca 0.00 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 2yu6 h LEU 134 Cb 0.34 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2yu6 h LEU 134 CO 0.00 1.35 -0.23 -0.07 -0.34 0.00 0.00 178.44 179.15 2yu6 h LEU 135 N 0.07 0.28 -1.39 2.25 3.38 -1.55 -3.11 115.31 115.24 2yu6 h LEU 135 Ca -0.14 -0.66 0.09 0.00 0.09 0.00 0.00 57.88 57.26 2yu6 h LEU 135 Cb 1.97 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2yu6 h LEU 135 CO 0.20 0.89 0.67 0.06 0.09 0.00 0.00 178.44 180.35 2yu6 h GLN 136 N -0.31 0.00 -0.83 1.13 3.07 -1.68 0.14 115.11 116.64 2yu6 h GLN 136 Ca -0.02 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.82 2yu6 h GLN 136 Cb 0.88 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.37 2yu6 h GLN 136 CO 0.05 0.00 0.48 -0.07 0.09 0.00 0.00 178.83 179.37 2yu6 h LEU 137 N 0.00 0.69 -2.06 0.06 3.38 -1.65 0.45 115.31 116.17 2yu6 h LEU 137 Ca 0.14 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2yu6 h LEU 137 Cb 1.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2yu6 h LEU 137 CO -0.00 0.40 0.35 -0.50 0.09 0.00 0.00 178.44 178.77 2yu6 h TRP 138 N 0.81 0.00 0.00 1.13 6.55 -0.91 0.35 115.95 123.87 2yu6 h TRP 138 Ca 0.39 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 60.18 2yu6 h TRP 138 Cb 0.34 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 2yu6 h TRP 138 CO -0.06 0.00 -0.27 0.93 -1.05 0.00 0.00 178.44 177.99 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -1.05 -2.74 114.58 116.35 2yu6 h GLU 139 Ca 0.18 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2yu6 h GLU 139 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2yu6 h GLU 139 CO -0.00 0.27 -0.31 0.00 -1.00 0.00 0.00 179.01 177.98 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 -0.32 -3.53 114.38 115.94 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 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2yu6 h ARG 140 CO 0.04 0.31 0.00 1.28 -1.07 0.00 0.00 179.97 180.52