#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 7.14 -0.25 1.61 0.15 -1.26 -5.00 113.70 116.10 2yu6 s SER 2 Ca 0.00 1.41 -0.29 0.00 0.70 0.00 0.00 55.95 57.77 2yu6 s SER 2 Cb 0.00 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2yu6 s SER 2 CO 0.00 -0.52 1.25 -0.55 1.20 0.00 0.00 173.24 174.62 2yu6 s SER 3 N 1.15 6.82 0.04 5.45 0.15 -1.26 -5.01 113.70 121.04 2yu6 s SER 3 Ca 0.45 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2yu6 s SER 3 Cb -0.17 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2yu6 s SER 3 CO 0.13 -0.92 -0.04 -0.83 1.20 0.00 0.00 173.24 172.78 2yu6 s GLY 4 N 2.28 0.38 -0.02 9.45 0.00 -1.26 -5.16 107.32 113.00 2yu6 s GLY 4 Ca 0.54 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 2yu6 s GLY 4 CO 0.18 -0.92 0.72 -0.45 0.00 0.00 0.00 173.10 172.63 2yu6 s SER 5 N -1.99 -0.58 0.03 1.64 0.15 -1.26 -5.18 113.70 106.51 2yu6 s SER 5 Ca -0.07 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.10 2yu6 s SER 5 Cb -0.04 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2yu6 s SER 5 CO -0.03 -0.65 -0.14 -0.94 1.20 0.00 0.00 173.24 172.67 2yu6 s SER 6 N -1.61 1.63 -0.11 5.45 1.04 -1.26 -5.05 113.70 113.80 2yu6 s SER 6 Ca -0.06 -0.42 -0.32 0.00 0.48 0.00 0.00 55.95 55.63 2yu6 s SER 6 Cb -0.00 -0.12 0.12 0.00 0.10 0.00 0.00 66.02 66.12 2yu6 s SER 6 CO 0.03 0.05 1.06 -0.83 0.98 0.00 0.00 173.24 174.53 2yu6 s GLY 7 N -1.00 -0.35 0.21 7.32 0.00 -1.26 -4.95 107.32 107.29 2yu6 s GLY 7 Ca 0.02 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.08 2yu6 s GLY 7 CO 0.01 0.51 0.51 0.54 0.00 0.00 0.00 173.10 174.67 2yu6 s VAL 8 N -2.57 4.99 0.44 1.40 0.11 -1.26 -2.25 120.40 121.25 2yu6 s VAL 8 Ca 0.07 0.36 0.08 0.00 -2.93 0.00 0.00 61.98 59.55 2yu6 s VAL 8 Cb -0.01 -3.62 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 2yu6 s VAL 8 CO -0.06 -0.06 0.54 -0.13 -3.33 0.00 0.00 175.10 172.06 2yu6 s ARG 9 N -2.82 2.68 -0.03 1.54 1.81 -1.01 -4.89 118.95 116.23 2yu6 s ARG 9 Ca 0.46 -1.38 0.01 0.00 -1.72 0.00 0.00 55.73 53.10 2yu6 s ARG 9 Cb -0.11 -2.63 0.02 0.00 -0.45 0.00 0.00 34.95 31.77 2yu6 s ARG 9 CO 0.22 -0.32 -0.03 0.71 -0.68 0.00 0.00 175.30 175.20 2yu6 s TYR 10 N -2.43 0.53 0.01 -0.53 1.51 -1.26 -0.74 117.35 114.45 2yu6 s TYR 10 Ca 0.53 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 2yu6 s TYR 10 Cb -0.08 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.27 2yu6 s TYR 10 CO 0.32 -0.13 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.53 2yu6 s PHE 11 N 0.73 0.31 -0.26 2.71 0.08 -0.13 -1.92 117.98 119.51 2yu6 s PHE 11 Ca -0.09 -0.27 -0.10 0.00 0.12 0.00 0.00 56.93 56.59 2yu6 s PHE 11 Cb -0.12 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.08 2yu6 s PHE 11 CO -0.00 -0.07 0.16 0.42 -0.10 0.00 0.00 175.22 175.62 2yu6 s ILE 12 N -0.73 5.14 -0.19 0.64 -1.09 -1.07 -0.86 121.20 123.04 2yu6 s ILE 12 Ca -0.06 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2yu6 s ILE 12 Cb -0.05 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 2yu6 s ILE 12 CO -0.00 0.30 -0.18 -0.04 -1.23 0.00 0.00 174.94 173.79 2yu6 s MET 13 N 1.48 3.03 0.23 2.79 -1.94 -0.79 -0.47 119.30 123.63 2yu6 s MET 13 Ca 0.07 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.24 2yu6 s MET 13 Cb -0.15 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 2yu6 s MET 13 CO 0.08 -0.22 0.41 0.15 -0.01 0.00 0.00 175.02 175.43 2yu6 s LYS 14 N 1.31 3.50 0.01 2.03 -0.14 -1.26 -1.80 119.74 123.38 2yu6 s LYS 14 Ca 0.05 -0.42 0.03 0.00 -1.36 0.00 0.00 55.97 54.26 2yu6 s LYS 14 Cb -0.13 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 2yu6 s LYS 14 CO -0.11 0.37 -0.09 0.45 -0.76 0.00 0.00 175.35 175.20 2yu6 s SER 15 N -3.46 1.06 0.08 2.83 0.15 -1.12 -4.87 113.70 108.36 2yu6 s SER 15 Ca 0.38 -0.26 -0.21 0.00 0.70 0.00 0.00 55.95 56.56 2yu6 s SER 15 Cb -0.10 -0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.02 2yu6 s SER 15 CO 0.30 0.04 1.58 0.28 1.20 0.00 0.00 173.24 176.64 2yu6 h SER 16 N 5.53 0.25 -3.43 5.45 0.02 -1.96 -0.39 113.55 119.03 2yu6 h SER 16 Ca -0.32 -0.21 -0.46 0.00 -0.84 0.00 0.00 61.79 59.95 2yu6 h SER 16 Cb 1.18 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.52 2yu6 h SER 16 CO 0.47 0.40 -0.60 0.20 -1.14 0.00 0.00 176.83 176.16 2yu6 s ASN 17 N -5.65 2.22 -0.10 3.07 -0.87 -1.26 -4.50 114.94 107.85 2yu6 s ASN 17 Ca -0.14 -1.41 -0.27 0.00 -1.57 0.00 0.00 52.86 49.47 2yu6 s ASN 17 Cb 0.07 0.01 -0.23 0.00 -0.02 0.00 0.00 41.25 41.07 2yu6 s ASN 17 CO 0.71 -0.66 0.88 0.25 -2.57 0.00 0.00 177.10 175.71 2yu6 h LEU 18 N 2.13 -0.01 -0.86 0.60 7.12 -1.98 -3.35 115.31 118.97 2yu6 h LEU 18 Ca -0.40 -0.82 0.12 0.00 0.13 0.00 0.00 57.88 56.92 2yu6 h LEU 18 Cb 1.25 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 41.25 2yu6 h LEU 18 CO 0.67 0.83 -0.37 -1.14 -0.13 0.00 0.00 178.44 178.30 2yu6 n ARG 19 N -4.69 -0.24 -0.32 1.25 3.00 -1.26 0.15 116.66 114.54 2yu6 n ARG 19 Ca -0.09 1.32 0.21 0.00 -0.00 0.00 0.00 57.85 59.29 2yu6 n ARG 19 Cb 0.40 -1.95 0.42 0.00 0.00 0.00 0.00 32.46 31.33 2yu6 n ARG 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2yu6 h ASN 20 N 0.00 0.15 -0.58 6.15 2.35 -2.01 0.89 115.58 122.53 2yu6 h ASN 20 Ca 0.26 0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 56.16 2yu6 h ASN 20 Cb 0.48 0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2yu6 h ASN 20 CO -0.84 -0.26 0.07 0.25 -1.65 0.00 0.00 177.43 175.00 2yu6 h LEU 21 N 0.16 0.98 -1.11 1.61 5.85 0.11 -2.79 115.31 120.12 2yu6 h LEU 21 Ca 0.69 -0.24 0.20 0.00 0.84 0.00 0.00 57.88 59.37 2yu6 h LEU 21 Cb 1.59 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.26 2yu6 h LEU 21 CO -0.72 0.99 0.61 -0.33 -0.34 0.00 0.00 178.44 178.66 2yu6 h GLU 22 N 0.95 0.67 -0.21 1.25 4.39 0.12 0.39 114.58 122.14 2yu6 h GLU 22 Ca 0.18 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.91 2yu6 h GLU 22 Cb 0.46 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2yu6 h GLU 22 CO 0.02 0.44 0.25 0.82 -1.16 0.00 0.00 179.01 179.38 2yu6 h ILE 23 N 0.69 0.42 0.00 3.13 5.03 -1.28 0.38 117.51 125.88 2yu6 h ILE 23 Ca 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.30 2yu6 h ILE 23 Cb 0.97 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.56 2yu6 h ILE 23 CO -0.34 0.00 -0.68 -1.28 -0.68 0.00 0.00 178.15 175.16 2yu6 h SER 24 N 0.00 0.00 0.59 1.72 0.87 -0.27 -1.83 113.55 114.63 2yu6 h SER 24 Ca 0.10 -0.10 -0.27 0.00 -1.23 0.00 0.00 61.79 60.28 2yu6 h SER 24 Cb 0.60 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 2yu6 h SER 24 CO -0.00 0.05 -1.57 1.56 -0.53 0.00 0.00 176.83 176.34 2yu6 h GLN 25 N 0.00 0.00 0.00 2.24 4.20 -0.12 -3.09 115.11 118.34 2yu6 h GLN 25 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2yu6 h GLN 25 Cb 0.87 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 2yu6 h GLN 25 CO 0.00 0.58 -0.94 1.04 -0.67 0.00 0.00 178.83 178.84 2yu6 n GLN 26 N -3.10 0.51 -0.00 1.46 1.13 -0.35 -4.53 117.38 112.50 2yu6 n GLN 26 Ca -0.14 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2yu6 n GLN 26 Cb 1.03 -1.50 0.30 0.00 0.11 0.00 0.00 30.24 30.18 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 0.53 0.00 -1.09 1.79 -1.55 -3.47 116.57 111.78 2yu6 h LYS 27 Ca -0.03 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2yu6 h LYS 27 Cb 0.91 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2yu6 h LYS 27 CO -0.02 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 179.30 2yu6 n GLY 28 N -0.92 0.65 3.38 3.86 0.00 -1.17 -5.02 105.19 105.97 2yu6 n GLY 28 Ca 0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -0.01 -0.61 -5.25 -1.25 -2.90 121.20 109.17 2yu6 s ILE 29 Ca 0.00 -1.73 -0.12 0.00 -0.99 0.00 0.00 60.65 57.81 2yu6 s ILE 29 Cb 0.00 -2.36 0.02 0.00 2.95 0.00 0.00 42.46 43.07 2yu6 s ILE 29 CO 0.00 -0.01 0.25 0.86 -1.79 0.00 0.00 174.94 174.26 2yu6 s TRP 30 N -4.09 -0.12 -0.22 1.37 -0.11 0.12 -3.54 118.94 112.35 2yu6 s TRP 30 Ca 0.31 0.16 -0.01 0.00 1.22 0.00 0.00 56.10 57.79 2yu6 s TRP 30 Cb 0.03 0.05 0.06 0.00 -1.50 0.00 0.00 33.47 32.12 2yu6 s TRP 30 CO 0.10 -0.34 -0.01 0.45 -4.62 0.00 0.00 176.95 172.53 2yu6 s SER 31 N -1.27 3.45 0.43 5.86 0.15 -1.26 -1.15 113.70 119.92 2yu6 s SER 31 Ca -0.13 -1.03 0.07 0.00 0.70 0.00 0.00 55.95 55.56 2yu6 s SER 31 Cb -0.06 -0.93 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 2yu6 s SER 31 CO 0.03 -0.27 0.31 0.28 1.20 0.00 0.00 173.24 174.79 2yu6 s THR 32 N 1.59 2.41 0.40 6.45 -1.32 -1.26 -5.00 115.64 118.91 2yu6 s THR 32 Ca -0.04 -1.49 -0.27 0.00 -1.21 0.00 0.00 61.69 58.68 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 -0.07 0.00 1.39 1.07 -2.21 0.00 0.00 174.62 174.80 2yu6 n THR 33 N -1.46 2.30 0.98 5.08 5.66 -1.26 -4.52 114.28 121.05 2yu6 n THR 33 Ca 0.01 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 60.56 2yu6 n THR 33 Cb 0.63 -1.77 0.30 0.00 -1.55 0.00 0.00 70.33 67.94 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 0.24 0.49 0.02 1.09 -0.04 -1.26 -2.04 135.00 133.49 2yu6 n PRO 34 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.83 0.62 -0.11 3.54 7.64 -1.26 -4.12 113.62 119.09 2yu6 n SER 35 Ca 0.08 -0.29 0.07 0.00 1.01 0.00 0.00 58.87 59.74 2yu6 n SER 35 Cb 0.03 0.86 0.10 0.00 -1.01 0.00 0.00 64.21 64.20 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yu6 n ASN 36 N -1.91 1.98 0.01 6.43 3.02 -0.87 -4.66 115.26 119.26 2yu6 n ASN 36 Ca 0.02 -2.79 -0.04 0.00 -0.03 0.00 0.00 54.58 51.75 2yu6 n ASN 36 Cb 0.43 -0.34 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yu6 n GLU 37 N -1.12 0.63 0.14 3.52 1.02 -1.21 -3.67 120.64 119.93 2yu6 n GLU 37 Ca 0.12 0.24 0.19 0.00 -0.02 0.00 0.00 57.16 57.69 2yu6 n GLU 37 Cb 0.60 -1.79 0.78 0.00 -0.02 0.00 0.00 31.44 31.00 2yu6 n GLU 37 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2yu6 h ARG 38 N 0.00 0.00 0.00 3.49 0.11 -1.83 0.27 114.38 116.42 2yu6 h ARG 38 Ca -0.22 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.61 2yu6 h ARG 38 Cb 1.77 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.81 2yu6 h ARG 38 CO 0.06 0.00 -1.40 0.36 0.10 0.00 0.00 179.97 179.09 2yu6 n LYS 39 N -3.77 0.56 -0.31 0.08 2.85 -1.26 -2.62 118.16 113.69 2yu6 n LYS 39 Ca 0.05 0.52 0.05 0.00 -1.05 0.00 0.00 58.31 57.88 2yu6 n LYS 39 Cb 0.50 -1.70 0.25 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.00 0.89 0.07 -5.58 3.38 -1.52 0.70 115.31 112.25 2yu6 h LEU 40 Ca -0.37 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2yu6 h LEU 40 Cb 1.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2yu6 h LEU 40 CO -0.23 0.55 -0.03 -1.13 0.09 0.00 0.00 178.44 177.69 2yu6 h ASN 41 N 1.00 -0.08 0.38 -0.43 -1.24 -0.67 -2.98 115.58 111.56 2yu6 h ASN 41 Ca 0.41 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 2yu6 h ASN 41 Cb 0.29 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 2yu6 h ASN 41 CO -0.17 0.49 -0.34 -0.09 -1.29 0.00 0.00 177.43 176.03 2yu6 h ARG 42 N -1.01 -0.70 -0.69 6.67 9.65 -1.42 -2.68 114.38 124.20 2yu6 h ARG 42 Ca -0.01 0.05 0.15 0.00 -1.10 0.00 0.00 59.98 59.07 2yu6 h ARG 42 Cb 0.26 0.16 -0.11 0.00 -1.39 0.00 0.00 29.97 28.89 2yu6 h ARG 42 CO 0.02 -0.47 0.08 0.00 2.80 0.00 0.00 179.97 182.40 2yu6 h ALA 43 N -0.25 0.78 -0.63 2.80 0.00 0.23 0.46 119.26 122.66 2yu6 h ALA 43 Ca -0.03 0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.25 2yu6 h ALA 43 Cb 0.64 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2yu6 h ALA 43 CO -0.04 -0.37 0.71 0.35 0.00 0.00 0.00 179.25 179.90 2yu6 h PHE 44 N 0.18 0.00 0.00 0.00 3.57 -1.31 0.88 116.94 120.26 2yu6 h PHE 44 Ca 0.38 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.51 2yu6 h PHE 44 Cb 0.63 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 2yu6 h PHE 44 CO -0.33 0.00 -2.05 0.91 -2.23 0.00 0.00 178.31 174.61 2yu6 n TRP 45 N -3.54 0.29 0.25 0.41 8.01 0.14 -4.29 117.44 118.71 2yu6 n TRP 45 Ca 0.13 0.13 0.10 0.00 -1.31 0.00 0.00 57.50 56.55 2yu6 n TRP 45 Cb 0.93 -0.98 0.50 0.00 -2.01 0.00 0.00 31.31 29.75 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 -4.32 0.15 -4.49 -0.99 -0.58 0.01 -4.70 120.64 105.71 2yu6 n GLU 46 Ca -0.45 0.53 -0.23 0.00 -0.42 0.00 0.00 57.16 56.60 2yu6 n GLU 46 Cb 0.79 -1.88 -0.11 0.00 -0.57 0.00 0.00 31.44 29.68 2yu6 n GLU 46 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2yu6 s SER 47 N -4.00 2.72 -0.09 1.62 0.01 0.30 -4.85 113.70 109.41 2yu6 s SER 47 Ca 0.01 -1.38 -0.23 0.00 1.31 0.00 0.00 55.95 55.65 2yu6 s SER 47 Cb 0.07 -0.14 -0.20 0.00 0.21 0.00 0.00 66.02 65.97 2yu6 s SER 47 CO 0.26 -0.58 0.82 -1.28 0.41 0.00 0.00 173.24 172.87 2yu6 h SER 48 N 2.03 -0.05 -3.50 2.44 0.87 -1.71 -3.43 113.55 110.20 2yu6 h SER 48 Ca -0.41 -0.63 -0.46 0.00 -1.23 0.00 0.00 61.79 59.06 2yu6 h SER 48 Cb 1.24 0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 63.08 2yu6 h SER 48 CO 0.72 0.68 -0.59 -0.63 -0.53 0.00 0.00 176.83 176.48 2yu6 s ILE 49 N -2.88 0.95 -0.31 2.23 1.01 -1.26 -4.97 121.20 115.97 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 -0.01 -2.68 0.10 0.00 0.01 0.00 0.00 42.46 39.88 2yu6 s ILE 49 CO 0.56 0.00 0.12 -0.69 0.00 0.00 0.00 174.94 174.93 2yu6 s VAL 50 N -3.38 0.53 -0.00 2.92 1.01 -1.26 -2.40 120.40 117.81 2yu6 s VAL 50 Ca 0.35 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 2yu6 s VAL 50 Cb 0.07 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2yu6 s VAL 50 CO 0.15 -0.71 0.90 -0.31 0.00 0.00 0.00 175.10 175.13 2yu6 s TYR 51 N 1.75 3.66 -0.23 5.22 2.02 0.08 -0.06 117.35 129.78 2yu6 s TYR 51 Ca 0.10 1.59 -0.01 0.00 -0.37 0.00 0.00 57.07 58.38 2yu6 s TYR 51 Cb -0.17 -3.02 0.07 0.00 -0.40 0.00 0.00 41.96 38.44 2yu6 s TYR 51 CO -0.28 0.05 0.00 -0.51 -1.57 0.00 0.00 175.55 173.24 2yu6 s LEU 52 N 0.79 2.11 -0.59 -1.29 1.43 0.14 -0.96 118.68 120.31 2yu6 s LEU 52 Ca 0.47 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.18 2yu6 s LEU 52 Cb -0.20 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.11 2yu6 s LEU 52 CO 0.26 -0.29 1.01 -0.69 0.23 0.00 0.00 176.35 176.87 2yu6 s VAL 53 N 1.57 4.26 0.14 -1.59 1.01 -0.04 -0.95 120.40 124.81 2yu6 s VAL 53 Ca -0.02 0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 2yu6 s VAL 53 Cb -0.18 -4.63 -0.08 0.00 0.00 0.00 0.00 36.38 31.50 2yu6 s VAL 53 CO -0.09 -1.28 0.73 -0.36 0.00 0.00 0.00 175.10 174.09 2yu6 s PHE 54 N 4.27 3.88 -0.23 5.22 0.40 0.78 -1.89 117.98 130.42 2yu6 s PHE 54 Ca 0.31 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 58.11 2yu6 s PHE 54 Cb -0.12 -2.70 0.11 0.00 0.51 0.00 0.00 43.02 40.81 2yu6 s PHE 54 CO 0.18 0.52 0.47 0.45 0.70 0.00 0.00 175.22 177.54 2yu6 s SER 55 N -1.09 -0.43 0.34 1.36 0.15 -0.75 -2.41 113.70 110.87 2yu6 s SER 55 Ca 0.34 1.03 -0.28 0.00 0.70 0.00 0.00 55.95 57.74 2yu6 s SER 55 Cb -0.22 1.55 -0.10 0.00 -1.71 0.00 0.00 66.02 65.54 2yu6 s SER 55 CO 0.24 -0.24 1.27 -0.69 1.20 0.00 0.00 173.24 175.03 2yu6 s VAL 56 N 2.67 2.81 0.70 4.45 1.01 -1.26 -2.80 120.40 127.98 2yu6 s VAL 56 Ca -0.00 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 2yu6 s VAL 56 Cb -0.12 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2yu6 s VAL 56 CO -0.15 0.18 0.94 0.00 0.00 0.00 0.00 175.10 176.07 2yu6 n GLN 57 N 0.71 0.57 0.00 2.72 10.64 -0.16 -2.97 117.38 128.90 2yu6 n GLN 57 Ca 0.01 0.25 0.00 0.00 -1.83 0.00 0.00 57.00 55.42 2yu6 n GLN 57 Cb 0.43 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.62 2yu6 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2yu6 n GLY 58 N 1.17 1.14 3.53 2.61 0.00 -1.26 -4.92 105.19 107.46 2yu6 n GLY 58 Ca 0.13 -0.02 -0.57 0.00 0.00 0.00 0.00 46.02 45.57 2yu6 n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu6 n SER 59 N 2.81 0.58 -1.13 1.61 7.64 -1.16 -4.81 113.62 119.16 2yu6 n SER 59 Ca 0.00 1.15 0.01 0.00 1.01 0.00 0.00 58.87 61.03 2yu6 n SER 59 Cb 0.00 -1.02 0.15 0.00 -1.01 0.00 0.00 64.21 62.33 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu6 n GLY 60 N 1.87 2.24 3.39 0.23 0.00 -1.26 -4.87 105.19 106.81 2yu6 n GLY 60 Ca 0.19 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.63 1.69 -0.39 1.61 3.76 -1.26 -1.22 115.29 117.86 2yu6 s HIS 61 Ca 0.22 -1.30 -0.10 0.00 -0.15 0.00 0.00 55.06 53.73 2yu6 s HIS 61 Cb 0.17 -0.99 0.05 0.00 1.11 0.00 0.00 32.58 32.92 2yu6 s HIS 61 CO 0.06 -0.40 0.22 -0.06 -0.85 0.00 0.00 174.74 173.71 2yu6 s PHE 62 N -3.47 3.27 0.61 1.40 0.08 0.26 -4.63 117.98 115.50 2yu6 s PHE 62 Ca 0.33 -1.20 0.17 0.00 0.12 0.00 0.00 56.93 56.35 2yu6 s PHE 62 Cb 0.05 -2.60 0.95 0.00 -0.57 0.00 0.00 43.02 40.84 2yu6 s PHE 62 CO 0.17 -0.73 1.52 1.96 -0.10 0.00 0.00 175.22 178.04 2yu6 h GLN 63 N 8.41 0.00 0.00 0.44 7.50 -1.71 -3.02 115.11 126.73 2yu6 h GLN 63 Ca -0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.91 2yu6 h GLN 63 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.62 2yu6 h GLN 63 CO 0.70 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.44 2yu6 n GLY 64 N -1.32 0.90 3.22 3.46 0.00 -1.07 -4.34 105.19 106.04 2yu6 n GLY 64 Ca -0.01 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.98 1.27 -0.01 1.61 -0.71 -1.23 -0.15 117.98 117.78 2yu6 s PHE 65 Ca 0.00 -0.63 -0.04 0.00 -1.04 0.00 0.00 56.93 55.22 2yu6 s PHE 65 Cb 0.00 -0.66 -0.00 0.00 -1.21 0.00 0.00 43.02 41.15 2yu6 s PHE 65 CO 0.00 0.09 0.08 -1.54 -1.34 0.00 0.00 175.22 172.51 2yu6 s SER 66 N -2.61 0.03 -0.34 1.98 1.04 -0.12 -3.07 113.70 110.60 2yu6 s SER 66 Ca 0.10 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 2yu6 s SER 66 Cb -0.03 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2yu6 s SER 66 CO 0.02 -0.22 0.18 0.00 0.98 0.00 0.00 173.24 174.19 2yu6 s ARG 67 N -0.84 3.14 0.13 4.02 1.70 -1.22 0.27 118.95 126.15 2yu6 s ARG 67 Ca -0.09 -0.86 -0.34 0.00 -0.47 0.00 0.00 55.73 53.97 2yu6 s ARG 67 Cb -0.05 -3.64 -0.17 0.00 -0.57 0.00 0.00 34.95 30.52 2yu6 s ARG 67 CO 0.00 -0.53 0.98 -0.12 -1.08 0.00 0.00 175.30 174.55 2yu6 n MET 68 N 4.99 0.55 -0.02 3.89 0.00 0.91 -1.09 117.12 126.36 2yu6 n MET 68 Ca -0.13 0.20 -0.01 0.00 -0.00 0.00 0.00 57.70 57.76 2yu6 n MET 68 Cb 0.48 -1.57 -0.05 0.00 0.00 0.00 0.00 33.22 32.08 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 1.85 3.52 -4.44 6.12 2.88 -1.20 -4.39 113.62 117.96 2yu6 n SER 69 Ca 0.17 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 2yu6 n SER 69 Cb 0.20 0.85 -0.08 0.00 -0.75 0.00 0.00 64.21 64.43 2yu6 n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 70 N -3.43 3.44 0.36 -3.46 0.15 -1.25 -5.01 113.70 104.49 2yu6 s SER 70 Ca -0.03 -1.65 0.07 0.00 0.70 0.00 0.00 55.95 55.04 2yu6 s SER 70 Cb 0.03 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2yu6 s SER 70 CO 0.25 -0.87 0.47 -1.61 1.20 0.00 0.00 173.24 172.68 2yu6 s GLU 71 N -3.79 2.95 0.07 5.44 8.01 -1.26 -4.58 118.70 125.53 2yu6 s GLU 71 Ca 0.16 -1.15 -0.20 0.00 0.01 0.00 0.00 54.97 53.79 2yu6 s GLU 71 Cb 0.02 -2.73 -0.07 0.00 -4.31 0.00 0.00 34.13 27.05 2yu6 s GLU 71 CO 0.09 -0.04 0.61 0.42 0.01 0.00 0.00 175.26 176.35 2yu6 s ILE 72 N -2.26 4.72 0.00 -1.63 1.01 -1.26 -4.61 121.20 117.17 2yu6 s ILE 72 Ca 0.47 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2yu6 s ILE 72 Cb -0.09 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2yu6 s ILE 72 CO 0.31 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2yu6 n GLY 73 N 1.86 0.06 0.34 6.18 0.00 -1.25 -4.93 105.19 107.45 2yu6 n GLY 73 Ca -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 -1.59 1.61 0.00 -1.26 -4.32 116.66 110.96 2yu6 n ARG 74 Ca 0.00 1.44 -0.61 0.00 -0.00 0.00 0.00 57.85 58.68 2yu6 n ARG 74 Cb 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 32.46 30.23 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 -5.45 0.20 -3.30 -0.14 4.71 -1.26 -4.91 120.64 110.49 2yu6 n GLU 75 Ca 0.13 0.07 -0.11 0.00 -0.01 0.00 0.00 57.16 57.24 2yu6 n GLU 75 Cb 0.43 -1.60 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 2yu6 n GLU 75 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2yu6 n LYS 76 N 2.56 0.40 -3.60 3.49 4.76 -1.26 -2.39 118.16 122.12 2yu6 n LYS 76 Ca 0.23 -2.01 -0.05 0.00 -2.87 0.00 0.00 58.31 53.62 2yu6 n LYS 76 Cb 0.06 1.82 -0.02 0.00 -1.84 0.00 0.00 35.03 35.05 2yu6 n LYS 76 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2yu6 s SER 77 N -2.49 -0.23 -0.12 4.39 0.15 -1.26 -4.97 113.70 109.17 2yu6 s SER 77 Ca 0.22 -0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 2yu6 s SER 77 Cb 0.00 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 2yu6 s SER 77 CO 0.16 -0.55 -0.26 0.00 1.20 0.00 0.00 173.24 173.78 2yu6 n GLN 78 N -0.30 0.40 -1.69 5.44 6.02 -1.26 -4.95 117.38 121.04 2yu6 n GLN 78 Ca -0.06 0.16 -0.50 0.00 -0.01 0.00 0.00 57.00 56.58 2yu6 n GLN 78 Cb 0.61 -1.18 -0.05 0.00 1.02 0.00 0.00 30.24 30.63 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yu6 n ASP 79 N -4.11 3.21 -3.57 1.08 9.92 -1.26 -4.93 116.55 116.89 2yu6 n ASP 79 Ca -0.10 1.00 -0.10 0.00 -0.53 0.00 0.00 54.79 55.05 2yu6 n ASP 79 Cb 0.39 -1.32 -0.05 0.00 -0.64 0.00 0.00 41.12 39.50 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2yu6 s TRP 80 N 3.92 -0.36 0.04 1.24 0.23 -1.26 -5.04 118.94 117.70 2yu6 s TRP 80 Ca 0.94 0.56 0.10 0.00 -2.03 0.00 0.00 56.10 55.67 2yu6 s TRP 80 Cb -0.78 0.46 -0.16 0.00 0.03 0.00 0.00 33.47 33.02 2yu6 s TRP 80 CO 0.55 -0.36 1.20 0.78 0.96 0.00 0.00 176.95 180.08 2yu6 h GLY 81 N 2.47 0.00 -5.92 0.98 0.00 -1.93 -3.44 103.07 95.23 2yu6 h GLY 81 Ca -0.18 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.54 2yu6 h GLY 81 CO 0.31 0.00 -0.84 -1.35 0.00 0.00 0.00 176.54 174.65 2yu6 s SER 82 N -6.54 2.64 0.26 0.19 1.04 -1.26 -5.01 113.70 105.02 2yu6 s SER 82 Ca 0.01 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 56.07 2yu6 s SER 82 Cb 0.09 -1.19 0.30 0.00 0.10 0.00 0.00 66.02 65.32 2yu6 s SER 82 CO 0.81 0.03 1.57 0.00 0.98 0.00 0.00 173.24 176.63 2yu6 h ALA 83 N 7.42 0.87 -0.11 5.32 0.00 -1.99 -3.38 119.26 127.38 2yu6 h ALA 83 Ca -0.32 -0.59 -0.52 0.00 0.00 0.00 0.00 54.91 53.49 2yu6 h ALA 83 Cb 1.18 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.91 2yu6 h ALA 83 CO 0.51 0.80 1.67 0.41 0.00 0.00 0.00 179.25 182.65 2yu6 n GLY 84 N 0.46 1.59 3.22 0.00 0.00 -1.26 -4.82 105.19 104.39 2yu6 n GLY 84 Ca -0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 4.33 1.56 -0.39 0.99 1.43 -1.26 -4.94 118.68 120.40 2yu6 s LEU 85 Ca 0.64 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2yu6 s LEU 85 Cb 0.10 0.21 0.19 0.00 0.03 0.00 0.00 46.19 46.72 2yu6 s LEU 85 CO 0.17 -0.75 0.89 -0.83 0.23 0.00 0.00 176.35 176.07 2yu6 s GLY 86 N -3.17 -1.51 0.00 -3.19 0.00 -1.26 -5.07 107.32 93.12 2yu6 s GLY 86 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.57 2yu6 s GLY 86 CO 0.09 4.02 0.00 0.61 0.00 0.00 0.00 173.10 177.82 2yu6 n GLY 87 N 3.48 2.52 3.70 0.20 0.00 -1.26 -4.60 105.19 109.24 2yu6 n GLY 87 Ca 0.11 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 4.22 0.05 1.61 1.01 -1.00 -4.17 120.40 122.12 2yu6 s VAL 88 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2yu6 s VAL 88 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2yu6 s VAL 88 CO 0.00 0.27 -0.04 0.72 0.00 0.00 0.00 175.10 176.05 2yu6 s PHE 89 N -1.19 0.51 0.62 5.22 -0.71 -0.30 -3.80 117.98 118.33 2yu6 s PHE 89 Ca 0.23 -0.84 -0.09 0.00 -1.04 0.00 0.00 56.93 55.19 2yu6 s PHE 89 Cb -0.12 -0.35 -0.01 0.00 -1.21 0.00 0.00 43.02 41.34 2yu6 s PHE 89 CO 0.14 -0.27 0.99 0.15 -1.34 0.00 0.00 175.22 174.90 2yu6 s LYS 90 N -2.97 3.16 -0.07 1.99 1.02 -1.26 0.12 119.74 121.73 2yu6 s LYS 90 Ca -0.01 0.39 -0.06 0.00 0.02 0.00 0.00 55.97 56.31 2yu6 s LYS 90 Cb 0.01 -2.15 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 2yu6 s LYS 90 CO -0.06 -0.72 0.17 0.14 -0.92 0.00 0.00 175.35 173.97 2yu6 s VAL 91 N -3.14 -0.00 -1.10 3.17 -7.23 -1.14 -3.26 120.40 107.69 2yu6 s VAL 91 Ca 0.55 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.68 2yu6 s VAL 91 Cb -0.11 -0.25 0.29 0.00 0.56 0.00 0.00 36.38 36.87 2yu6 s VAL 91 CO 0.50 0.00 1.58 1.21 -0.31 0.00 0.00 175.10 178.08 2yu6 n GLU 92 N 2.99 4.49 -1.58 4.82 2.13 -0.25 -4.80 120.64 128.45 2yu6 n GLU 92 Ca -0.13 -4.44 -0.59 0.00 0.66 0.00 0.00 57.16 52.67 2yu6 n GLU 92 Cb 0.59 -2.55 -0.08 0.00 0.27 0.00 0.00 31.44 29.67 2yu6 n GLU 92 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2yu6 n TRP 93 N 1.46 1.16 -0.12 4.31 7.02 -1.26 -3.39 117.44 126.61 2yu6 n TRP 93 Ca 0.30 0.93 -0.21 0.00 -1.02 0.00 0.00 57.50 57.50 2yu6 n TRP 93 Cb 0.33 -2.20 -0.07 0.00 -2.42 0.00 0.00 31.31 26.94 2yu6 n TRP 93 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2yu6 n ILE 94 N 2.42 1.52 -4.45 -0.99 -0.00 -1.18 -4.95 119.36 111.73 2yu6 n ILE 94 Ca 0.22 -0.16 -0.24 0.00 -0.00 0.00 0.00 62.75 62.56 2yu6 n ILE 94 Cb 0.09 -2.08 -0.17 0.00 -0.00 0.00 0.00 39.64 37.48 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 -2.67 1.58 -0.34 0.38 1.81 -1.25 -5.02 118.95 113.44 2yu6 s ARG 95 Ca -0.35 -0.36 0.08 0.00 -1.72 0.00 0.00 55.73 53.39 2yu6 s ARG 95 Cb 0.10 -1.36 0.60 0.00 -0.45 0.00 0.00 34.95 33.84 2yu6 s ARG 95 CO 0.46 -0.02 1.66 1.63 -0.68 0.00 0.00 175.30 178.35 2yu6 n LYS 96 N 3.98 2.36 -2.64 3.54 5.02 -1.26 -3.49 118.16 125.67 2yu6 n LYS 96 Ca -0.22 -3.08 -0.27 0.00 -2.02 0.00 0.00 58.31 52.72 2yu6 n LYS 96 Cb 0.51 -2.00 0.01 0.00 -0.02 0.00 0.00 35.03 33.54 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -3.19 3.32 -0.43 1.97 2.12 -1.26 -4.90 118.70 116.33 2yu6 s GLU 97 Ca 0.50 0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.76 2yu6 s GLU 97 Cb 0.43 -2.38 0.07 0.00 0.26 0.00 0.00 34.13 32.51 2yu6 s GLU 97 CO 0.06 -0.33 0.30 -1.12 -0.54 0.00 0.00 175.26 173.63 2yu6 s SER 98 N -4.17 5.83 -0.23 -1.70 0.01 -1.26 -3.74 113.70 108.44 2yu6 s SER 98 Ca 0.49 -1.38 -0.14 0.00 1.31 0.00 0.00 55.95 56.23 2yu6 s SER 98 Cb -0.10 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2yu6 s SER 98 CO 0.44 -0.56 0.33 -0.22 0.41 0.00 0.00 173.24 173.64 2yu6 s LEU 99 N 1.52 4.11 0.20 2.44 2.96 -1.14 -4.77 118.68 123.99 2yu6 s LEU 99 Ca 0.03 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 2yu6 s LEU 99 Cb -0.23 -2.38 -0.09 0.00 0.50 0.00 0.00 46.19 43.99 2yu6 s LEU 99 CO 0.04 -0.07 1.30 -2.16 -1.32 0.00 0.00 176.35 174.15 2yu6 s PRO 100 N 1.44 4.39 0.46 0.98 0.04 -1.26 0.91 135.00 141.96 2yu6 s PRO 100 Ca 0.15 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.50 2yu6 s PRO 100 Cb -0.15 -3.20 1.32 0.00 0.04 0.00 0.00 34.50 32.52 2yu6 s PRO 100 CO 0.08 -0.24 1.76 0.74 0.04 0.00 0.00 177.00 179.38 2yu6 h PHE 101 N 5.36 0.39 -1.29 0.56 0.04 -1.50 0.14 116.94 120.63 2yu6 h PHE 101 Ca -0.45 0.01 0.39 0.00 2.80 0.00 0.00 57.97 60.73 2yu6 h PHE 101 Cb 1.21 -0.11 -0.10 0.00 2.20 0.00 0.00 35.95 39.15 2yu6 h PHE 101 CO 0.62 0.00 0.86 0.37 -0.60 0.00 0.00 178.31 179.56 2yu6 h GLN 102 N 0.20 0.14 -0.27 1.51 4.15 -1.90 1.22 115.11 120.16 2yu6 h GLN 102 Ca 0.62 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.87 2yu6 h GLN 102 Cb 1.95 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.61 2yu6 h GLN 102 CO -0.20 0.09 -0.46 0.74 -1.93 0.00 0.00 178.83 177.08 2yu6 h PHE 103 N 0.14 0.85 -0.33 3.99 -1.00 -1.09 -2.96 116.94 116.54 2yu6 h PHE 103 Ca 0.74 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2yu6 h PHE 103 Cb 2.37 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 41.76 2yu6 h PHE 103 CO -0.00 1.02 0.00 0.00 -1.61 0.00 0.00 178.31 177.72 2yu6 n ALA 104 N -2.53 2.45 0.31 2.45 0.00 0.35 -4.28 120.51 119.25 2yu6 n ALA 104 Ca -0.03 -0.85 0.19 0.00 0.00 0.00 0.00 53.44 52.75 2yu6 n ALA 104 Cb 0.56 -0.94 1.02 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 3.76 0.00 0.02 0.00 6.17 0.82 -0.42 115.15 125.50 2yu6 h HIS 105 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.77 2yu6 h HIS 105 Cb 0.83 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.71 2yu6 h HIS 105 CO 0.22 0.00 -1.83 -2.39 0.71 0.00 0.00 177.93 174.64 2yu6 n HIS 106 N -3.22 0.96 -2.26 5.26 1.44 -1.26 -4.92 115.22 111.22 2yu6 n HIS 106 Ca -0.02 0.31 -0.38 0.00 -2.01 0.00 0.00 57.72 55.62 2yu6 n HIS 106 Cb 0.21 -1.17 -0.02 0.00 0.12 0.00 0.00 29.99 29.14 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 -6.23 4.16 0.36 2.39 1.43 -0.17 -5.03 118.68 115.59 2yu6 s LEU 107 Ca -0.09 2.37 0.06 0.00 -1.03 0.00 0.00 54.13 55.45 2yu6 s LEU 107 Cb 0.08 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2yu6 s LEU 107 CO 0.81 -0.74 0.23 -0.76 0.23 0.00 0.00 176.35 176.12 2yu6 s LEU 108 N -2.59 1.83 -0.33 1.79 1.43 -1.26 -3.00 118.68 116.55 2yu6 s LEU 108 Ca 0.58 -1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2yu6 s LEU 108 Cb -0.31 0.36 0.11 0.00 0.03 0.00 0.00 46.19 46.37 2yu6 s LEU 108 CO 0.39 -1.04 0.12 0.21 0.23 0.00 0.00 176.35 176.26 2yu6 s ASN 109 N -3.46 3.98 0.00 2.29 2.47 0.09 -4.56 114.94 115.75 2yu6 s ASN 109 Ca 0.35 -1.81 0.11 0.00 0.42 0.00 0.00 52.86 51.93 2yu6 s ASN 109 Cb 0.02 -0.90 0.64 0.00 -1.45 0.00 0.00 41.25 39.55 2yu6 s ASN 109 CO 0.24 -0.39 1.07 -0.81 -3.72 0.00 0.00 177.10 173.49 2yu6 n PRO 110 N 4.63 0.49 0.07 0.43 -0.04 -1.26 -0.77 135.00 138.55 2yu6 n PRO 110 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2yu6 n PRO 110 Cb 0.41 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2yu6 n PRO 110 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2yu6 h TRP 111 N 0.00 0.00 -1.67 0.54 4.06 -1.94 -3.38 115.95 113.56 2yu6 h TRP 111 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 2yu6 h TRP 111 Cb 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 27.75 2yu6 h TRP 111 CO 0.00 0.38 -0.96 0.27 -3.56 0.00 0.00 178.44 174.57 2yu6 n ASN 112 N -2.88 2.79 -1.51 -3.49 6.94 -0.97 -4.91 115.26 111.23 2yu6 n ASN 112 Ca -0.05 -3.26 -0.05 0.00 -0.02 0.00 0.00 54.58 51.20 2yu6 n ASN 112 Cb 0.73 -0.54 0.02 0.00 -2.36 0.00 0.00 39.78 37.63 2yu6 n ASN 112 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2yu6 n ASP 113 N -0.12 -2.40 -2.63 0.53 8.00 -1.25 -3.47 116.55 115.21 2yu6 n ASP 113 Ca 0.25 -0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 2yu6 n ASP 113 Cb 0.64 -1.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.04 2yu6 n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yu6 n ASN 114 N -0.90 -0.95 -4.74 -2.24 4.13 0.05 -4.81 115.26 105.81 2yu6 n ASN 114 Ca -0.05 -0.15 -0.41 0.00 1.68 0.00 0.00 54.58 55.65 2yu6 n ASN 114 Cb 0.53 -0.88 -0.05 0.00 -1.54 0.00 0.00 39.78 37.84 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 -4.32 4.69 0.35 3.52 -0.14 -0.82 -4.17 119.74 118.85 2yu6 s LYS 115 Ca 0.24 1.59 -0.17 0.00 -1.36 0.00 0.00 55.97 56.27 2yu6 s LYS 115 Cb -0.14 -3.30 -0.13 0.00 -1.68 0.00 0.00 37.83 32.58 2yu6 s LYS 115 CO 0.30 0.22 0.04 1.17 -0.76 0.00 0.00 175.35 176.33 2yu6 n LYS 116 N 2.23 0.00 0.13 1.68 4.81 -1.26 -0.73 118.16 125.02 2yu6 n LYS 116 Ca 0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 2yu6 n LYS 116 Cb 0.47 -0.83 -0.08 0.00 0.02 0.00 0.00 35.03 34.61 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 0.22 0.00 -1.76 3.15 2.07 -1.78 -0.81 116.25 117.35 2yu6 h VAL 117 Ca -0.31 0.00 0.53 0.00 0.82 0.00 0.00 66.70 67.74 2yu6 h VAL 117 Cb 1.20 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 2yu6 h VAL 117 CO 0.38 0.00 1.23 0.00 0.02 0.00 0.00 177.57 179.20 2yu6 n GLN 118 N -4.82 -0.01 -1.22 1.57 -0.00 -1.26 -2.56 117.38 109.07 2yu6 n GLN 118 Ca -0.08 1.12 -0.37 0.00 -0.00 0.00 0.00 57.00 57.67 2yu6 n GLN 118 Cb 0.34 -2.44 -0.03 0.00 -0.00 0.00 0.00 30.24 28.11 2yu6 n GLN 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2yu6 n ILE 119 N -4.14 2.87 -3.65 -0.39 5.41 -0.31 -4.78 119.36 114.37 2yu6 n ILE 119 Ca 0.42 -2.10 -0.19 0.00 1.00 0.00 0.00 62.75 61.88 2yu6 n ILE 119 Cb 1.84 -2.40 -0.16 0.00 -0.71 0.00 0.00 39.64 38.21 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 3.59 1.12 0.54 4.38 0.01 -1.06 -4.83 113.70 117.45 2yu6 s SER 120 Ca 0.52 0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.69 2yu6 s SER 120 Cb 0.14 0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.40 2yu6 s SER 120 CO -0.01 -0.27 1.06 0.00 0.41 0.00 0.00 173.24 174.43 2yu6 s ARG 121 N 2.24 3.54 -0.28 12.44 1.70 -1.26 -4.84 118.95 132.48 2yu6 s ARG 121 Ca 0.04 1.34 -0.42 0.00 -0.47 0.00 0.00 55.73 56.22 2yu6 s ARG 121 Cb -0.13 -2.06 -0.17 0.00 -0.57 0.00 0.00 34.95 32.02 2yu6 s ARG 121 CO -0.06 -0.65 1.60 -0.40 -1.08 0.00 0.00 175.30 174.71 2yu6 n ASP 122 N -1.43 1.73 -0.25 -2.89 5.68 -1.26 -1.32 116.55 116.81 2yu6 n ASP 122 Ca 0.09 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.51 2yu6 n ASP 122 Cb 0.52 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 3.71 0.86 3.67 6.12 0.00 0.38 -4.90 105.19 115.03 2yu6 n GLY 123 Ca 0.26 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -3.78 3.45 0.43 1.61 2.00 -0.44 -4.96 119.66 117.97 2yu6 s GLN 124 Ca 0.00 -0.36 -0.25 0.00 -2.00 0.00 0.00 55.36 52.75 2yu6 s GLN 124 Cb 0.00 -3.00 -0.08 0.00 0.80 0.00 0.00 33.01 30.73 2yu6 s GLN 124 CO 0.00 0.52 1.29 -1.21 -0.50 0.00 0.00 175.29 175.39 2yu6 s GLU 125 N -0.35 3.84 -0.05 1.67 2.02 -1.26 -2.60 118.70 121.97 2yu6 s GLU 125 Ca 0.08 2.10 0.01 0.00 0.02 0.00 0.00 54.97 57.19 2yu6 s GLU 125 Cb -0.12 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.49 2yu6 s GLU 125 CO 0.02 -0.58 -0.07 -1.17 0.02 0.00 0.00 175.26 173.48 2yu6 s LEU 126 N -2.65 1.42 0.36 1.80 2.96 -0.81 -4.90 118.68 116.86 2yu6 s LEU 126 Ca 0.60 -0.18 -0.28 0.00 -0.22 0.00 0.00 54.13 54.04 2yu6 s LEU 126 Cb -0.37 -0.56 -0.11 0.00 0.50 0.00 0.00 46.19 45.65 2yu6 s LEU 126 CO 0.46 -0.03 1.49 -0.70 -1.32 0.00 0.00 176.35 176.26 2yu6 s GLU 127 N 0.85 4.12 0.00 1.98 2.12 -1.26 -4.07 118.70 122.44 2yu6 s GLU 127 Ca -0.12 2.55 0.15 0.00 0.36 0.00 0.00 54.97 57.91 2yu6 s GLU 127 Cb -0.15 -2.98 0.70 0.00 0.26 0.00 0.00 34.13 31.96 2yu6 s GLU 127 CO 0.01 -0.53 1.42 -0.35 -0.54 0.00 0.00 175.26 175.27 2yu6 n PRO 128 N 0.72 0.15 0.03 4.30 -0.04 -1.26 -0.47 135.00 138.42 2yu6 n PRO 128 Ca 0.02 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 2yu6 n PRO 128 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.00 0.54 4.15 -1.98 -3.26 115.11 114.86 2yu6 h GLN 129 Ca 0.00 -0.52 -0.06 0.00 0.77 0.00 0.00 58.65 58.84 2yu6 h GLN 129 Cb 0.17 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2yu6 h GLN 129 CO 0.00 1.25 -1.52 1.33 -1.93 0.00 0.00 178.83 177.96 2yu6 n VAL 130 N -3.68 0.57 0.14 2.39 0.24 -1.11 -3.91 118.33 112.96 2yu6 n VAL 130 Ca -0.27 -0.58 0.01 0.00 -2.04 0.00 0.00 64.34 61.46 2yu6 n VAL 130 Cb 1.01 -0.30 0.13 0.00 -1.47 0.00 0.00 33.84 33.20 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 3.95 0.00 0.42 7.63 0.00 -0.95 -2.79 103.07 111.33 2yu6 h GLY 131 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2yu6 h GLY 131 CO 0.01 0.00 -0.35 1.05 0.00 0.00 0.00 176.54 177.25 2yu6 h GLU 132 N 0.00 0.18 0.00 4.80 4.11 -1.71 -3.22 114.58 118.73 2yu6 h GLU 132 Ca -0.01 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2yu6 h GLU 132 Cb 1.25 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2yu6 h GLU 132 CO 0.07 1.03 0.00 0.00 0.07 0.00 0.00 179.01 180.18 2yu6 n GLN 133 N -4.42 0.02 0.08 1.06 10.64 -1.24 -2.40 117.38 121.12 2yu6 n GLN 133 Ca -0.11 0.26 -0.11 0.00 -1.83 0.00 0.00 57.00 55.21 2yu6 n GLN 133 Cb 0.59 -1.54 -0.13 0.00 -0.86 0.00 0.00 30.24 28.30 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 0.22 -0.01 2.61 5.85 -1.50 -3.34 115.31 119.13 2yu6 h LEU 134 Ca 0.00 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 2yu6 h LEU 134 Cb 0.27 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2yu6 h LEU 134 CO 0.00 1.18 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.75 2yu6 h LEU 135 N 0.04 0.42 -1.42 2.25 3.38 -1.52 -3.15 115.31 115.31 2yu6 h LEU 135 Ca -0.07 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2yu6 h LEU 135 Cb 1.87 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 2yu6 h LEU 135 CO 0.17 1.12 0.53 0.06 0.09 0.00 0.00 178.44 180.40 2yu6 h GLN 136 N -0.23 0.00 -0.85 1.13 3.07 -1.66 0.13 115.11 116.70 2yu6 h GLN 136 Ca -0.05 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.71 2yu6 h GLN 136 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.69 2yu6 h GLN 136 CO 0.09 0.00 0.55 -0.07 0.09 0.00 0.00 178.83 179.49 2yu6 h LEU 137 N 0.00 0.93 -1.90 0.06 3.38 -1.66 -1.57 115.31 114.55 2yu6 h LEU 137 Ca 0.00 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.23 2yu6 h LEU 137 Cb 1.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2yu6 h LEU 137 CO -0.00 0.66 0.69 -0.50 0.09 0.00 0.00 178.44 179.38 2yu6 h TRP 138 N 1.10 0.11 -0.06 1.13 6.55 -0.94 0.58 115.95 124.41 2yu6 h TRP 138 Ca 0.33 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 60.06 2yu6 h TRP 138 Cb -0.05 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.21 2yu6 h TRP 138 CO -0.02 0.02 -0.48 0.93 -1.05 0.00 0.00 178.44 177.84 2yu6 h GLU 139 N 0.07 0.15 0.00 0.49 4.39 -1.45 -2.54 114.58 115.70 2yu6 h GLU 139 Ca 0.48 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2yu6 h GLU 139 Cb 1.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2yu6 h GLU 139 CO -0.05 0.60 0.00 0.54 -1.16 0.00 0.00 179.01 178.94 2yu6 n ARG 140 N -3.97 0.16 0.00 2.33 5.12 0.20 -5.18 116.66 115.32 2yu6 n ARG 140 Ca -0.02 0.50 0.13 0.00 -1.93 0.00 0.00 57.85 56.53 2yu6 n ARG 140 Cb 0.52 -1.88 0.76 0.00 -1.16 0.00 0.00 32.46 30.69 2yu6 n ARG 140 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98