#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 4.91 0.48 1.61 1.04 -1.26 -5.10 113.70 115.37 2yu6 s SER 2 Ca 0.00 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 2yu6 s SER 2 Cb 0.00 -1.83 -0.06 0.00 0.10 0.00 0.00 66.02 64.23 2yu6 s SER 2 CO 0.00 0.10 0.88 -0.44 0.98 0.00 0.00 173.24 174.76 2yu6 s SER 3 N 0.76 6.50 -0.64 7.02 0.01 -1.26 -4.46 113.70 121.63 2yu6 s SER 3 Ca 0.00 1.30 -0.20 0.00 1.31 0.00 0.00 55.95 58.37 2yu6 s SER 3 Cb -0.14 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.72 2yu6 s SER 3 CO 0.02 -0.54 0.64 0.61 0.41 0.00 0.00 173.24 174.38 2yu6 n GLY 4 N -1.65 -0.56 3.19 3.44 0.00 -1.26 -4.98 105.19 103.36 2yu6 n GLY 4 Ca 0.04 0.89 -0.11 0.00 0.00 0.00 0.00 46.02 46.84 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 -2.22 -0.30 -1.51 1.61 0.01 -1.26 -4.87 113.70 105.15 2yu6 s SER 5 Ca 0.19 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2yu6 s SER 5 Cb -0.02 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.01 2yu6 s SER 5 CO 0.89 -0.20 0.00 -1.20 0.41 0.00 0.00 173.24 173.14 2yu6 n SER 6 N 4.62 -5.12 -4.97 2.44 7.64 -1.26 -5.00 113.62 111.97 2yu6 n SER 6 Ca -0.19 0.01 -0.18 0.00 1.01 0.00 0.00 58.87 59.51 2yu6 n SER 6 Cb 0.53 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.53 2yu6 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu6 s GLY 7 N -2.24 1.99 0.41 0.23 0.00 -1.26 -3.76 107.32 102.69 2yu6 s GLY 7 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 44.72 42.73 2yu6 s GLY 7 CO 0.00 -1.58 0.96 0.54 0.00 0.00 0.00 173.10 173.02 2yu6 s VAL 8 N -2.42 4.27 0.44 1.40 0.11 -1.26 -3.85 120.40 119.09 2yu6 s VAL 8 Ca 0.53 1.53 0.07 0.00 -2.93 0.00 0.00 61.98 61.18 2yu6 s VAL 8 Cb -0.08 -3.69 0.07 0.00 -1.53 0.00 0.00 36.38 31.16 2yu6 s VAL 8 CO 0.32 -0.19 0.55 0.54 -3.33 0.00 0.00 175.10 172.99 2yu6 n ARG 9 N -0.37 0.73 -3.75 1.54 3.00 -1.11 -4.93 116.66 111.78 2yu6 n ARG 9 Ca 0.06 -2.47 -0.15 0.00 -0.01 0.00 0.00 57.85 55.28 2yu6 n ARG 9 Cb 0.53 -0.08 -0.16 0.00 0.00 0.00 0.00 32.46 32.75 2yu6 n ARG 9 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2yu6 s TYR 10 N -1.85 -0.04 -0.01 -1.55 1.51 -1.25 -1.55 117.35 112.60 2yu6 s TYR 10 Ca 0.42 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.78 2yu6 s TYR 10 Cb -0.03 -0.20 -0.00 0.00 -0.11 0.00 0.00 41.96 41.61 2yu6 s TYR 10 CO 0.27 -0.13 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.44 2yu6 s PHE 11 N 1.24 0.73 -0.29 2.71 0.40 -0.28 -0.61 117.98 121.88 2yu6 s PHE 11 Ca -0.08 -0.15 -0.17 0.00 -0.60 0.00 0.00 56.93 55.94 2yu6 s PHE 11 Cb -0.12 -0.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 2yu6 s PHE 11 CO -0.04 -0.04 0.46 0.42 0.70 0.00 0.00 175.22 176.72 2yu6 s ILE 12 N -0.03 5.10 -0.28 0.64 -1.09 -1.14 -0.71 121.20 123.69 2yu6 s ILE 12 Ca 0.01 0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 58.99 2yu6 s ILE 12 Cb -0.05 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 2yu6 s ILE 12 CO -0.00 0.03 0.02 -0.04 -1.23 0.00 0.00 174.94 173.72 2yu6 s MET 13 N 2.23 2.95 0.24 2.79 -1.94 -0.55 -0.11 119.30 124.92 2yu6 s MET 13 Ca 0.18 -0.93 -0.08 0.00 -1.71 0.00 0.00 55.69 53.15 2yu6 s MET 13 Cb -0.16 -3.20 -0.07 0.00 2.01 0.00 0.00 34.83 33.42 2yu6 s MET 13 CO 0.10 -0.43 0.54 0.15 -0.01 0.00 0.00 175.02 175.37 2yu6 s LYS 14 N 1.41 3.76 -0.06 2.03 -0.14 -1.26 -1.33 119.74 124.15 2yu6 s LYS 14 Ca 0.01 0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.85 2yu6 s LYS 14 Cb -0.17 -2.66 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 2yu6 s LYS 14 CO -0.01 0.30 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.66 2yu6 s SER 15 N -2.52 1.66 0.31 2.83 0.01 -1.16 -4.92 113.70 109.92 2yu6 s SER 15 Ca 0.46 -0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.53 2yu6 s SER 15 Cb -0.11 -0.77 0.81 0.00 0.21 0.00 0.00 66.02 66.16 2yu6 s SER 15 CO 0.23 0.01 1.76 0.28 0.41 0.00 0.00 173.24 175.93 2yu6 h SER 16 N 7.06 0.74 -5.56 2.44 0.02 -1.97 -2.31 113.55 113.96 2yu6 h SER 16 Ca -0.32 0.11 -0.26 0.00 -0.84 0.00 0.00 61.79 60.48 2yu6 h SER 16 Cb 1.18 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.60 2yu6 h SER 16 CO 0.47 0.21 -0.34 0.20 -1.14 0.00 0.00 176.83 176.23 2yu6 s ASN 17 N -5.34 0.69 -0.05 3.07 -0.87 -1.26 -4.57 114.94 106.60 2yu6 s ASN 17 Ca -0.11 -1.41 -0.26 0.00 -1.57 0.00 0.00 52.86 49.51 2yu6 s ASN 17 Cb 0.26 0.56 -0.22 0.00 -0.02 0.00 0.00 41.25 41.83 2yu6 s ASN 17 CO 0.80 -1.11 1.08 0.25 -2.57 0.00 0.00 177.10 175.55 2yu6 h LEU 18 N 2.27 0.10 -0.67 0.60 7.12 -1.98 -3.35 115.31 119.39 2yu6 h LEU 18 Ca -0.29 -0.70 0.06 0.00 0.13 0.00 0.00 57.88 57.08 2yu6 h LEU 18 Cb 1.24 -0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 41.26 2yu6 h LEU 18 CO 0.41 0.78 -0.40 -1.14 -0.13 0.00 0.00 178.44 177.97 2yu6 n ARG 19 N -4.67 -0.30 -0.33 1.25 3.00 -1.26 0.83 116.66 115.19 2yu6 n ARG 19 Ca -0.09 1.33 0.32 0.00 -0.00 0.00 0.00 57.85 59.40 2yu6 n ARG 19 Cb 0.39 -1.96 0.56 0.00 0.00 0.00 0.00 32.46 31.46 2yu6 n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2yu6 n ASN 20 N -4.52 0.28 -0.14 6.15 3.02 -1.26 0.23 115.26 119.03 2yu6 n ASN 20 Ca 0.01 1.45 -0.12 0.00 -0.03 0.00 0.00 54.58 55.89 2yu6 n ASN 20 Cb 0.17 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.63 2yu6 n ASN 20 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yu6 h LEU 21 N 0.00 0.96 -1.27 3.41 5.85 0.29 -3.01 115.31 121.55 2yu6 h LEU 21 Ca 0.79 -0.41 0.28 0.00 0.84 0.00 0.00 57.88 59.37 2yu6 h LEU 21 Cb 2.22 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 42.88 2yu6 h LEU 21 CO -0.62 1.16 0.66 -0.33 -0.34 0.00 0.00 178.44 178.97 2yu6 h GLU 22 N 0.76 0.40 -0.80 1.25 5.08 0.35 0.42 114.58 122.04 2yu6 h GLU 22 Ca 0.09 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2yu6 h GLU 22 Cb 0.81 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2yu6 h GLU 22 CO 0.07 0.27 0.52 0.82 -1.00 0.00 0.00 179.01 179.69 2yu6 h ILE 23 N 0.41 0.90 0.00 3.13 5.03 -1.38 0.25 117.51 125.85 2yu6 h ILE 23 Ca 0.63 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 65.14 2yu6 h ILE 23 Cb 1.52 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 2yu6 h ILE 23 CO -0.36 0.12 0.00 -1.28 -0.68 0.00 0.00 178.15 175.95 2yu6 h SER 24 N 0.67 0.00 0.67 1.72 0.87 -0.13 0.18 113.55 117.53 2yu6 h SER 24 Ca 0.38 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.68 2yu6 h SER 24 Cb 0.56 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2yu6 h SER 24 CO -0.15 0.00 -1.42 1.56 -0.53 0.00 0.00 176.83 176.29 2yu6 h GLN 25 N 0.00 0.03 0.00 2.24 4.20 -0.32 -3.01 115.11 118.25 2yu6 h GLN 25 Ca 0.00 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2yu6 h GLN 25 Cb 0.78 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2yu6 h GLN 25 CO 0.00 0.77 -1.17 1.04 -0.67 0.00 0.00 178.83 178.80 2yu6 n GLN 26 N -3.22 0.53 0.08 1.46 1.13 -0.33 -4.55 117.38 112.48 2yu6 n GLN 26 Ca -0.11 0.23 0.01 0.00 -1.94 0.00 0.00 57.00 55.19 2yu6 n GLN 26 Cb 1.01 -1.45 0.34 0.00 0.11 0.00 0.00 30.24 30.25 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 0.33 0.00 -1.09 1.79 -0.86 -3.47 116.57 112.26 2yu6 h LYS 27 Ca -0.09 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2yu6 h LYS 27 Cb 1.06 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2yu6 h LYS 27 CO -0.05 0.46 0.00 0.41 -1.08 0.00 0.00 179.45 179.19 2yu6 n GLY 28 N -0.79 0.60 3.14 3.86 0.00 -1.14 -5.01 105.19 105.87 2yu6 n GLY 28 Ca -0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 0.18 -0.01 -0.61 -5.25 -1.25 -2.04 121.20 110.22 2yu6 s ILE 29 Ca 0.00 -1.58 0.01 0.00 -0.99 0.00 0.00 60.65 58.09 2yu6 s ILE 29 Cb 0.00 -1.51 0.00 0.00 2.95 0.00 0.00 42.46 43.90 2yu6 s ILE 29 CO 0.00 -0.81 -0.04 0.86 -1.79 0.00 0.00 174.94 173.16 2yu6 s TRP 30 N -3.91 0.42 -0.23 1.37 -0.11 0.95 -3.20 118.94 114.23 2yu6 s TRP 30 Ca 0.08 -0.08 -0.01 0.00 1.22 0.00 0.00 56.10 57.31 2yu6 s TRP 30 Cb 0.07 -0.32 0.02 0.00 -1.50 0.00 0.00 33.47 31.73 2yu6 s TRP 30 CO -0.09 -0.04 -0.09 -1.54 -4.62 0.00 0.00 176.95 170.57 2yu6 s SER 31 N 0.16 4.03 0.38 5.86 1.04 -1.26 -2.69 113.70 121.23 2yu6 s SER 31 Ca -0.01 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 55.74 2yu6 s SER 31 Cb -0.05 -1.63 -0.07 0.00 0.10 0.00 0.00 66.02 64.37 2yu6 s SER 31 CO -0.00 -0.07 0.04 0.28 0.98 0.00 0.00 173.24 174.46 2yu6 s THR 32 N 1.34 1.54 0.39 2.02 -1.32 -1.26 -5.04 115.64 113.31 2yu6 s THR 32 Ca 0.02 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.23 2yu6 s THR 32 Cb -0.15 -2.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.90 2yu6 s THR 32 CO -0.06 0.00 1.40 1.07 -2.21 0.00 0.00 174.62 174.82 2yu6 n THR 33 N -0.86 2.27 0.98 5.08 5.66 -1.26 -4.37 114.28 121.78 2yu6 n THR 33 Ca -0.05 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.50 2yu6 n THR 33 Cb 0.67 -1.80 0.26 0.00 -1.55 0.00 0.00 70.33 67.91 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 0.25 0.49 0.05 1.09 -0.04 -1.26 -2.15 135.00 133.43 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 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu6 n SER 35 N -0.78 0.64 -0.05 3.54 2.88 -1.26 -4.07 113.62 114.52 2yu6 n SER 35 Ca 0.07 -0.01 0.03 0.00 -1.33 0.00 0.00 58.87 57.63 2yu6 n SER 35 Cb 0.03 0.67 0.04 0.00 -0.75 0.00 0.00 64.21 64.21 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 -2.17 1.84 -0.02 -3.46 3.02 -0.91 -4.73 115.26 108.83 2yu6 n ASN 36 Ca 0.01 -2.26 -0.17 0.00 -0.03 0.00 0.00 54.58 52.13 2yu6 n ASN 36 Cb 0.47 -0.15 -0.14 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.13 -0.76 3.52 4.39 -1.69 -3.33 114.58 116.84 2yu6 h GLU 37 Ca 0.00 -0.22 0.07 0.00 0.34 0.00 0.00 59.36 59.55 2yu6 h GLU 37 Cb 0.75 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.39 2yu6 h GLU 37 CO 0.00 1.11 -0.45 -2.13 -1.16 0.00 0.00 179.01 176.38 2yu6 n ARG 38 N -4.38 -0.33 0.04 2.33 0.00 -1.26 -0.21 116.66 112.84 2yu6 n ARG 38 Ca -0.13 1.17 -0.13 0.00 -0.00 0.00 0.00 57.85 58.76 2yu6 n ARG 38 Cb 0.64 -1.72 -0.08 0.00 0.00 0.00 0.00 32.46 31.30 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2yu6 h LYS 39 N 0.00 -0.53 -1.06 -0.14 2.10 -1.92 0.40 116.57 115.42 2yu6 h LYS 39 Ca 0.12 0.04 0.28 0.00 -2.00 0.00 0.00 60.65 59.09 2yu6 h LYS 39 Cb 0.31 0.12 -0.11 0.00 -0.90 0.00 0.00 32.23 31.65 2yu6 h LYS 39 CO -0.71 -0.36 0.66 -0.07 -2.00 0.00 0.00 179.45 176.98 2yu6 h LEU 40 N -0.55 0.48 0.06 7.07 3.38 -1.04 0.72 115.31 125.43 2yu6 h LEU 40 Ca 0.01 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2yu6 h LEU 40 Cb 0.59 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2yu6 h LEU 40 CO -0.30 0.04 -0.03 0.78 0.09 0.00 0.00 178.44 179.03 2yu6 h ASN 41 N 0.40 -0.06 0.23 -0.43 4.21 0.11 -2.61 115.58 117.43 2yu6 h ASN 41 Ca 0.64 0.00 0.01 0.00 1.21 0.00 0.00 56.30 58.16 2yu6 h ASN 41 Cb 1.57 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 38.75 2yu6 h ASN 41 CO -0.38 -0.01 -0.47 -0.09 -1.29 0.00 0.00 177.43 175.20 2yu6 h ARG 42 N -0.15 -0.75 -0.66 0.81 9.65 0.05 -2.66 114.38 120.66 2yu6 h ARG 42 Ca -0.01 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.03 2yu6 h ARG 42 Cb 0.06 0.17 -0.12 0.00 -1.39 0.00 0.00 29.97 28.69 2yu6 h ARG 42 CO 0.01 -0.50 -0.36 0.00 2.80 0.00 0.00 179.97 181.92 2yu6 h ALA 43 N -0.47 -0.05 -1.52 2.80 0.00 0.29 0.73 119.26 121.05 2yu6 h ALA 43 Ca -0.01 0.18 0.44 0.00 0.00 0.00 0.00 54.91 55.52 2yu6 h ALA 43 Cb 0.76 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2yu6 h ALA 43 CO -0.20 -0.69 1.17 0.35 0.00 0.00 0.00 179.25 179.88 2yu6 h PHE 44 N -0.14 0.00 0.00 0.00 3.57 -1.10 1.42 116.94 120.69 2yu6 h PHE 44 Ca 0.25 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.57 2yu6 h PHE 44 Cb 0.56 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2yu6 h PHE 44 CO -0.69 0.00 -1.36 0.91 -2.23 0.00 0.00 178.31 174.94 2yu6 n TRP 45 N -3.90 0.42 0.25 0.41 8.01 0.22 -4.25 117.44 118.59 2yu6 n TRP 45 Ca 0.34 0.18 0.03 0.00 -1.31 0.00 0.00 57.50 56.73 2yu6 n TRP 45 Cb 1.64 -0.81 0.14 0.00 -2.01 0.00 0.00 31.31 30.26 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 -4.43 0.06 -4.19 -0.99 -0.58 0.86 -4.59 120.64 106.77 2yu6 n GLU 46 Ca -0.27 0.28 -0.17 0.00 -0.42 0.00 0.00 57.16 56.58 2yu6 n GLU 46 Cb 0.59 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.70 1.24 0.07 1.62 0.01 0.48 -4.73 113.70 109.70 2yu6 s SER 47 Ca 0.05 -0.47 -0.24 0.00 1.31 0.00 0.00 55.95 56.60 2yu6 s SER 47 Cb 0.04 -0.04 -0.10 0.00 0.21 0.00 0.00 66.02 66.13 2yu6 s SER 47 CO 0.09 -0.07 1.39 0.28 0.41 0.00 0.00 173.24 175.35 2yu6 h SER 48 N 4.81 -1.14 -3.65 2.44 0.02 -1.67 -3.41 113.55 110.95 2yu6 h SER 48 Ca -0.36 0.12 -0.44 0.00 -0.84 0.00 0.00 61.79 60.27 2yu6 h SER 48 Cb 1.19 0.43 -0.14 0.00 0.14 0.00 0.00 62.40 64.02 2yu6 h SER 48 CO 0.43 -0.38 -0.60 -0.63 -1.14 0.00 0.00 176.83 174.51 2yu6 s ILE 49 N -4.93 0.92 -0.25 3.27 1.01 -1.26 -4.92 121.20 115.03 2yu6 s ILE 49 Ca -0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.51 2yu6 s ILE 49 Cb 0.04 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.90 2yu6 s ILE 49 CO 0.43 0.00 0.08 -0.69 0.00 0.00 0.00 174.94 174.75 2yu6 s VAL 50 N -3.43 0.49 -0.06 2.92 1.01 -1.26 -2.76 120.40 117.30 2yu6 s VAL 50 Ca 0.36 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 2yu6 s VAL 50 Cb 0.08 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2yu6 s VAL 50 CO 0.15 -0.48 0.84 -0.31 0.00 0.00 0.00 175.10 175.30 2yu6 s TYR 51 N 1.84 3.58 -0.31 5.22 2.02 -0.60 -0.76 117.35 128.34 2yu6 s TYR 51 Ca 0.05 1.44 0.03 0.00 -0.37 0.00 0.00 57.07 58.22 2yu6 s TYR 51 Cb -0.17 -2.97 0.09 0.00 -0.40 0.00 0.00 41.96 38.51 2yu6 s TYR 51 CO -0.20 -0.01 0.02 -0.51 -1.57 0.00 0.00 175.55 173.28 2yu6 s LEU 52 N 1.14 3.89 -0.55 -1.29 1.43 0.16 -1.13 118.68 122.32 2yu6 s LEU 52 Ca 0.44 -1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 51.42 2yu6 s LEU 52 Cb -0.19 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.63 2yu6 s LEU 52 CO 0.21 -0.34 1.14 -0.69 0.23 0.00 0.00 176.35 176.90 2yu6 s VAL 53 N 1.11 4.12 0.19 -1.59 1.01 0.11 -0.88 120.40 124.48 2yu6 s VAL 53 Ca 0.06 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.69 2yu6 s VAL 53 Cb -0.19 -4.67 -0.08 0.00 0.00 0.00 0.00 36.38 31.44 2yu6 s VAL 53 CO -0.10 -1.22 0.78 -0.36 0.00 0.00 0.00 175.10 174.20 2yu6 s PHE 54 N 4.68 3.84 -0.24 5.22 0.40 0.25 -1.48 117.98 130.64 2yu6 s PHE 54 Ca 0.42 1.60 -0.05 0.00 -0.60 0.00 0.00 56.93 58.30 2yu6 s PHE 54 Cb -0.08 -2.75 0.12 0.00 0.51 0.00 0.00 43.02 40.82 2yu6 s PHE 54 CO 0.26 0.45 0.46 -1.54 0.70 0.00 0.00 175.22 175.55 2yu6 s SER 55 N -1.30 -0.39 0.52 1.36 1.04 -0.44 -2.83 113.70 111.66 2yu6 s SER 55 Ca 0.39 0.84 -0.21 0.00 0.48 0.00 0.00 55.95 57.44 2yu6 s SER 55 Cb -0.21 1.53 -0.06 0.00 0.10 0.00 0.00 66.02 67.37 2yu6 s SER 55 CO 0.25 -0.25 1.18 -0.69 0.98 0.00 0.00 173.24 174.71 2yu6 s VAL 56 N 2.67 2.93 0.09 5.02 1.01 -1.26 -2.97 120.40 127.89 2yu6 s VAL 56 Ca 0.05 0.63 -0.34 0.00 0.00 0.00 0.00 61.98 62.33 2yu6 s VAL 56 Cb -0.13 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 2yu6 s VAL 56 CO -0.16 -0.07 1.68 0.00 0.00 0.00 0.00 175.10 176.55 2yu6 n GLN 57 N -1.04 2.21 -3.18 2.72 10.64 -0.87 -3.34 117.38 124.52 2yu6 n GLN 57 Ca 0.10 0.80 -0.26 0.00 -1.83 0.00 0.00 57.00 55.82 2yu6 n GLN 57 Cb 0.49 -2.60 0.02 0.00 -0.86 0.00 0.00 30.24 27.28 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 3.75 -0.34 0.03 2.61 0.00 -1.26 -4.89 105.19 105.09 2yu6 n GLY 58 Ca 0.19 0.72 -0.04 0.00 0.00 0.00 0.00 46.02 46.88 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu6 n SER 59 N -0.76 3.54 0.00 1.61 2.88 -1.21 -5.06 113.62 114.62 2yu6 n SER 59 Ca -0.15 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2yu6 n SER 59 Cb 0.53 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 60 N 2.95 3.27 3.47 0.46 0.00 -1.26 -5.06 105.19 109.01 2yu6 n GLY 60 Ca -0.11 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.06 2.08 -0.48 1.61 3.76 -1.26 -3.22 115.29 117.71 2yu6 s HIS 61 Ca 0.00 -0.72 -0.27 0.00 -0.15 0.00 0.00 55.06 53.92 2yu6 s HIS 61 Cb 0.00 -1.26 0.03 0.00 1.11 0.00 0.00 32.58 32.46 2yu6 s HIS 61 CO 0.00 0.28 1.03 -0.06 -0.85 0.00 0.00 174.74 175.15 2yu6 s PHE 62 N -2.98 2.84 0.64 1.40 0.08 0.94 -4.72 117.98 116.17 2yu6 s PHE 62 Ca 0.32 0.49 0.22 0.00 0.12 0.00 0.00 56.93 58.08 2yu6 s PHE 62 Cb 0.05 -4.21 1.08 0.00 -0.57 0.00 0.00 43.02 39.37 2yu6 s PHE 62 CO 0.14 -1.22 1.59 1.96 -0.10 0.00 0.00 175.22 177.58 2yu6 h GLN 63 N 9.19 0.00 0.00 0.44 7.50 -1.79 -3.22 115.11 127.23 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 1.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.60 2yu6 h GLN 63 CO 1.08 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.82 2yu6 n GLY 64 N -1.44 0.51 3.34 3.46 0.00 -1.13 -4.52 105.19 105.41 2yu6 n GLY 64 Ca 0.05 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N -0.66 0.87 -0.07 1.61 -0.71 -1.26 0.84 117.98 118.58 2yu6 s PHE 65 Ca 0.00 -1.14 -0.19 0.00 -1.04 0.00 0.00 56.93 54.56 2yu6 s PHE 65 Cb 0.00 -0.28 0.04 0.00 -1.21 0.00 0.00 43.02 41.57 2yu6 s PHE 65 CO 0.00 -0.77 0.44 -1.54 -1.34 0.00 0.00 175.22 172.00 2yu6 s SER 66 N -3.11 -0.39 -0.35 1.98 1.04 -0.06 -3.74 113.70 109.07 2yu6 s SER 66 Ca 0.33 0.50 -0.13 0.00 0.48 0.00 0.00 55.95 57.13 2yu6 s SER 66 Cb 0.04 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 2yu6 s SER 66 CO 0.11 -0.38 0.25 0.00 0.98 0.00 0.00 173.24 174.20 2yu6 s ARG 67 N -0.77 3.38 -0.07 4.02 1.70 -0.62 0.35 118.95 126.94 2yu6 s ARG 67 Ca -0.08 -0.72 -0.40 0.00 -0.47 0.00 0.00 55.73 54.05 2yu6 s ARG 67 Cb -0.03 -3.84 -0.19 0.00 -0.57 0.00 0.00 34.95 30.32 2yu6 s ARG 67 CO 0.04 -0.51 1.24 -0.12 -1.08 0.00 0.00 175.30 174.88 2yu6 n MET 68 N 5.11 0.30 -0.06 3.89 0.00 0.06 -2.19 117.12 124.24 2yu6 n MET 68 Ca -0.12 0.11 -0.06 0.00 -0.00 0.00 0.00 57.70 57.62 2yu6 n MET 68 Cb 0.49 -1.65 -0.10 0.00 0.00 0.00 0.00 33.22 31.96 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 2.31 1.92 -4.29 6.12 2.88 -1.25 -4.56 113.62 116.75 2yu6 n SER 69 Ca 0.22 -0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.59 2yu6 n SER 69 Cb 0.08 0.77 -0.10 0.00 -0.75 0.00 0.00 64.21 64.21 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 -4.59 2.16 0.52 -3.46 0.15 -1.26 -5.04 113.70 102.18 2yu6 s SER 70 Ca -0.07 -1.00 -0.10 0.00 0.70 0.00 0.00 55.95 55.48 2yu6 s SER 70 Cb 0.04 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2yu6 s SER 70 CO 0.51 -0.25 0.91 -1.83 1.20 0.00 0.00 173.24 173.78 2yu6 s GLU 71 N -3.62 3.67 0.23 5.44 -1.05 -1.26 -4.40 118.70 117.71 2yu6 s GLU 71 Ca 0.19 0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 55.29 2yu6 s GLU 71 Cb 0.01 -2.23 -0.09 0.00 -0.44 0.00 0.00 34.13 31.38 2yu6 s GLU 71 CO 0.03 -0.32 0.97 0.42 0.95 0.00 0.00 175.26 177.31 2yu6 s ILE 72 N -2.82 4.03 0.00 1.83 1.01 -1.26 -4.64 121.20 119.35 2yu6 s ILE 72 Ca 0.53 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.18 2yu6 s ILE 72 Cb -0.10 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.09 2yu6 s ILE 72 CO 0.43 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.44 2yu6 n GLY 73 N 1.54 0.46 0.31 6.18 0.00 -1.19 -4.92 105.19 107.58 2yu6 n GLY 73 Ca -0.01 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.38 1.61 9.65 -1.85 -3.40 114.38 114.04 2yu6 h ARG 74 Ca 0.00 -0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.27 2yu6 h ARG 74 Cb 0.00 -0.01 0.04 0.00 -1.39 0.00 0.00 29.97 28.61 2yu6 h ARG 74 CO 0.00 0.02 0.91 0.39 2.80 0.00 0.00 179.97 184.09 2yu6 n GLU 75 N -5.48 2.06 -4.22 0.20 4.71 -1.26 -4.96 120.64 111.69 2yu6 n GLU 75 Ca 0.16 0.75 -0.15 0.00 -0.01 0.00 0.00 57.16 57.90 2yu6 n GLU 75 Cb 0.53 -2.54 -0.09 0.00 -1.01 0.00 0.00 31.44 28.34 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yu6 s LYS 76 N 2.34 1.51 0.05 3.49 -0.14 -1.26 -2.92 119.74 122.81 2yu6 s LYS 76 Ca 0.86 -1.79 -0.28 0.00 -1.36 0.00 0.00 55.97 53.39 2yu6 s LYS 76 Cb -0.72 0.31 0.10 0.00 -1.68 0.00 0.00 37.83 35.85 2yu6 s LYS 76 CO 0.45 -0.54 1.18 0.45 -0.76 0.00 0.00 175.35 176.13 2yu6 s SER 77 N -3.25 -0.08 0.03 2.83 0.15 -1.26 -5.00 113.70 107.11 2yu6 s SER 77 Ca 0.39 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.74 2yu6 s SER 77 Cb 0.04 0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2yu6 s SER 77 CO 0.19 -0.51 -0.08 1.67 1.20 0.00 0.00 173.24 175.71 2yu6 n GLN 78 N -0.53 0.12 -1.53 5.44 7.27 -1.26 -5.00 117.38 121.89 2yu6 n GLN 78 Ca -0.07 0.05 -0.61 0.00 0.07 0.00 0.00 57.00 56.44 2yu6 n GLN 78 Cb 0.62 -0.68 -0.10 0.00 2.41 0.00 0.00 30.24 32.49 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2yu6 n ASP 79 N -3.63 1.38 -3.55 1.69 9.92 -1.26 -4.89 116.55 116.21 2yu6 n ASP 79 Ca -0.03 0.90 -0.10 0.00 -0.53 0.00 0.00 54.79 55.03 2yu6 n ASP 79 Cb 0.12 -0.98 -0.04 0.00 -0.64 0.00 0.00 41.12 39.58 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 4.66 -0.36 -0.07 1.24 0.23 -1.26 -5.02 118.94 118.36 2yu6 s TRP 80 Ca 1.10 0.45 0.01 0.00 -2.03 0.00 0.00 56.10 55.63 2yu6 s TRP 80 Cb -1.35 0.49 -0.25 0.00 0.03 0.00 0.00 33.47 32.39 2yu6 s TRP 80 CO 0.70 -0.43 0.55 0.78 0.96 0.00 0.00 176.95 179.51 2yu6 h GLY 81 N 2.32 0.19 -7.43 0.98 0.00 -1.92 -3.45 103.07 93.76 2yu6 h GLY 81 Ca -0.20 -0.47 -0.68 0.00 0.00 0.00 0.00 47.33 45.98 2yu6 h GLY 81 CO 0.31 0.41 -0.72 -0.56 0.00 0.00 0.00 176.54 175.98 2yu6 s SER 82 N -6.67 4.60 0.48 0.19 0.01 -1.26 -4.98 113.70 106.08 2yu6 s SER 82 Ca -0.14 -1.05 0.14 0.00 1.31 0.00 0.00 55.95 56.21 2yu6 s SER 82 Cb 0.07 -1.69 1.14 0.00 0.21 0.00 0.00 66.02 65.75 2yu6 s SER 82 CO 0.80 -0.19 2.09 0.00 0.41 0.00 0.00 173.24 176.36 2yu6 h ALA 83 N 8.01 1.96 -0.11 1.44 0.00 -1.98 -3.38 119.26 125.20 2yu6 h ALA 83 Ca -0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yu6 h ALA 83 Cb 1.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2yu6 h ALA 83 CO 0.55 0.00 0.06 0.41 0.00 0.00 0.00 179.25 180.28 2yu6 n GLY 84 N -1.53 -0.41 3.45 0.00 0.00 -1.26 -4.78 105.19 100.66 2yu6 n GLY 84 Ca 0.01 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 16.27 1.23 0.00 0.99 1.43 -1.26 -4.75 118.68 132.58 2yu6 s LEU 85 Ca 0.80 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2yu6 s LEU 85 Cb -0.07 1.28 0.00 0.00 0.03 0.00 0.00 46.19 47.44 2yu6 s LEU 85 CO 0.17 -1.28 0.00 0.61 0.23 0.00 0.00 176.35 176.08 2yu6 n GLY 86 N -0.60 -2.03 0.00 -3.19 0.00 -1.26 -4.96 105.19 93.14 2yu6 n GLY 86 Ca 0.03 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 1.84 3.93 -0.02 0.00 -1.26 -4.64 105.19 105.04 2yu6 n GLY 87 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 2yu6 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yu6 s VAL 88 N 0.00 5.04 0.07 1.61 1.01 -1.15 -4.50 120.40 122.48 2yu6 s VAL 88 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 2yu6 s VAL 88 Cb 0.00 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2yu6 s VAL 88 CO 0.00 -0.60 0.39 0.72 0.00 0.00 0.00 175.10 175.61 2yu6 s PHE 89 N -2.39 -0.21 0.74 5.22 -0.71 -1.09 -3.14 117.98 116.40 2yu6 s PHE 89 Ca 0.43 0.06 -0.12 0.00 -1.04 0.00 0.00 56.93 56.26 2yu6 s PHE 89 Cb -0.10 0.21 0.04 0.00 -1.21 0.00 0.00 43.02 41.95 2yu6 s PHE 89 CO 0.37 -0.60 1.10 0.15 -1.34 0.00 0.00 175.22 174.90 2yu6 s LYS 90 N -2.95 2.54 -0.13 1.99 1.02 -1.26 -0.04 119.74 120.92 2yu6 s LYS 90 Ca -0.02 0.49 -0.14 0.00 0.02 0.00 0.00 55.97 56.32 2yu6 s LYS 90 Cb 0.00 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.37 2yu6 s LYS 90 CO -0.06 -1.26 0.39 0.14 -0.92 0.00 0.00 175.35 173.63 2yu6 s VAL 91 N -3.31 0.01 -0.46 3.17 -7.23 -0.87 -3.79 120.40 107.91 2yu6 s VAL 91 Ca 0.59 -0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.54 2yu6 s VAL 91 Cb -0.12 -0.56 0.05 0.00 0.56 0.00 0.00 36.38 36.31 2yu6 s VAL 91 CO 0.52 -0.03 0.43 -0.70 -0.31 0.00 0.00 175.10 175.01 2yu6 s GLU 92 N -0.00 3.02 -0.05 4.82 -6.30 -0.93 -4.76 118.70 114.50 2yu6 s GLU 92 Ca -0.02 -1.13 -0.30 0.00 -2.50 0.00 0.00 54.97 51.02 2yu6 s GLU 92 Cb -0.03 -4.08 -0.03 0.00 0.00 0.00 0.00 34.13 29.99 2yu6 s GLU 92 CO 0.01 -0.99 1.08 -1.58 0.02 0.00 0.00 175.26 173.80 2yu6 s TRP 93 N 1.90 3.44 -0.19 5.30 0.52 -1.26 -1.59 118.94 127.05 2yu6 s TRP 93 Ca 0.07 1.46 -0.16 0.00 0.02 0.00 0.00 56.10 57.49 2yu6 s TRP 93 Cb -0.21 -3.28 -0.07 0.00 -1.15 0.00 0.00 33.47 28.76 2yu6 s TRP 93 CO 0.09 -0.65 -0.32 -0.89 0.02 0.00 0.00 176.95 175.21 2yu6 n ILE 94 N 4.36 1.49 -4.69 2.03 -0.00 -1.25 -5.00 119.36 116.30 2yu6 n ILE 94 Ca 0.09 0.08 -0.24 0.00 -0.00 0.00 0.00 62.75 62.68 2yu6 n ILE 94 Cb 0.48 -2.29 -0.16 0.00 -0.00 0.00 0.00 39.64 37.68 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 -2.77 1.45 -0.28 0.38 1.81 -1.26 -5.02 118.95 113.26 2yu6 s ARG 95 Ca -0.29 -0.51 0.10 0.00 -1.72 0.00 0.00 55.73 53.32 2yu6 s ARG 95 Cb 0.05 -1.31 0.53 0.00 -0.45 0.00 0.00 34.95 33.77 2yu6 s ARG 95 CO 0.42 0.22 1.49 1.63 -0.68 0.00 0.00 175.30 178.38 2yu6 n LYS 96 N 3.11 2.13 -2.48 3.54 5.02 -1.26 -4.21 118.16 124.00 2yu6 n LYS 96 Ca -0.17 -3.09 -0.27 0.00 -2.02 0.00 0.00 58.31 52.75 2yu6 n LYS 96 Cb 0.54 -1.85 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.16 3.24 -0.50 1.97 2.56 -1.26 -4.97 118.70 116.58 2yu6 s GLU 97 Ca 0.45 0.13 -0.11 0.00 0.00 0.00 0.00 54.97 55.44 2yu6 s GLU 97 Cb 0.40 -2.31 0.12 0.00 2.00 0.00 0.00 34.13 34.34 2yu6 s GLU 97 CO 0.03 -0.46 0.40 -1.12 -0.56 0.00 0.00 175.26 173.54 2yu6 s SER 98 N -4.21 5.86 -0.18 -1.70 0.01 -1.26 -4.23 113.70 107.98 2yu6 s SER 98 Ca 0.51 -1.90 -0.24 0.00 1.31 0.00 0.00 55.95 55.63 2yu6 s SER 98 Cb -0.10 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 2yu6 s SER 98 CO 0.45 -0.74 0.79 -0.22 0.41 0.00 0.00 173.24 173.93 2yu6 s LEU 99 N 1.40 4.16 0.18 2.44 2.96 -1.22 -4.78 118.68 123.81 2yu6 s LEU 99 Ca 0.05 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 54.74 2yu6 s LEU 99 Cb -0.27 -3.15 -0.08 0.00 0.50 0.00 0.00 46.19 43.18 2yu6 s LEU 99 CO 0.00 -0.39 1.32 -2.16 -1.32 0.00 0.00 176.35 173.80 2yu6 s PRO 100 N 2.18 4.38 0.32 0.98 0.04 -1.26 -0.04 135.00 141.60 2yu6 s PRO 100 Ca 0.36 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.53 2yu6 s PRO 100 Cb -0.16 -3.21 0.93 0.00 0.04 0.00 0.00 34.50 32.10 2yu6 s PRO 100 CO 0.11 -0.28 1.66 0.74 0.04 0.00 0.00 177.00 179.27 2yu6 h PHE 101 N 5.68 0.70 -1.48 0.56 0.04 -1.92 0.30 116.94 120.82 2yu6 h PHE 101 Ca -0.44 0.04 0.48 0.00 2.80 0.00 0.00 57.97 60.85 2yu6 h PHE 101 Cb 1.21 -0.15 -0.12 0.00 2.20 0.00 0.00 35.95 39.09 2yu6 h PHE 101 CO 0.63 -0.18 0.99 0.37 -0.60 0.00 0.00 178.31 179.51 2yu6 h GLN 102 N 0.29 0.03 -0.30 1.51 5.75 -1.91 1.80 115.11 122.28 2yu6 h GLN 102 Ca 0.66 -0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.99 2yu6 h GLN 102 Cb 1.43 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.97 2yu6 h GLN 102 CO -0.62 0.02 -0.49 0.74 -2.65 0.00 0.00 178.83 175.82 2yu6 h PHE 103 N 0.03 1.01 -0.67 3.99 -1.00 -0.76 -3.04 116.94 116.49 2yu6 h PHE 103 Ca 0.87 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 61.31 2yu6 h PHE 103 Cb 2.94 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 42.30 2yu6 h PHE 103 CO -0.00 1.14 0.00 0.00 -1.61 0.00 0.00 178.31 177.84 2yu6 n ALA 104 N -2.55 3.06 0.42 2.45 0.00 0.55 -4.30 120.51 120.14 2yu6 n ALA 104 Ca -0.03 -1.59 0.13 0.00 0.00 0.00 0.00 53.44 51.95 2yu6 n ALA 104 Cb 0.59 -1.02 0.49 0.00 0.00 0.00 0.00 19.45 19.51 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 4.22 0.00 0.00 0.00 6.17 0.50 -2.78 115.15 123.26 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 1.44 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.36 2yu6 h HIS 105 CO 0.77 0.00 -1.41 -2.39 0.71 0.00 0.00 177.93 175.61 2yu6 n HIS 106 N -2.40 0.79 -3.07 5.26 1.44 -1.26 -4.91 115.22 111.06 2yu6 n HIS 106 Ca 0.03 0.25 -0.35 0.00 -2.01 0.00 0.00 57.72 55.64 2yu6 n HIS 106 Cb 0.29 -0.96 -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 -5.44 4.22 0.34 2.39 1.43 -1.05 -5.08 118.68 115.50 2yu6 s LEU 107 Ca -0.03 1.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2yu6 s LEU 107 Cb 0.10 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2yu6 s LEU 107 CO 0.82 -0.08 0.34 -0.76 0.23 0.00 0.00 176.35 176.90 2yu6 s LEU 108 N -2.39 1.60 -0.30 1.79 1.43 -1.26 -3.19 118.68 116.36 2yu6 s LEU 108 Ca 0.48 -1.72 0.02 0.00 -1.03 0.00 0.00 54.13 51.88 2yu6 s LEU 108 Cb -0.14 0.80 0.09 0.00 0.03 0.00 0.00 46.19 46.97 2yu6 s LEU 108 CO 0.19 -1.14 0.03 0.21 0.23 0.00 0.00 176.35 175.87 2yu6 s ASN 109 N -3.35 4.29 0.00 2.29 3.04 0.10 -4.63 114.94 116.67 2yu6 s ASN 109 Ca 0.38 -1.70 0.14 0.00 0.04 0.00 0.00 52.86 51.73 2yu6 s ASN 109 Cb 0.01 -1.29 0.82 0.00 -1.54 0.00 0.00 41.25 39.26 2yu6 s ASN 109 CO 0.27 -0.34 1.24 -0.81 -3.04 0.00 0.00 177.10 174.42 2yu6 n PRO 110 N 4.54 0.49 0.00 0.43 -0.04 -1.26 -1.86 135.00 137.30 2yu6 n PRO 110 Ca -0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 2yu6 n PRO 110 Cb 0.43 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.94 0.00 -3.49 0.54 7.02 -1.26 -4.50 117.44 114.81 2yu6 n TRP 111 Ca 0.10 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.31 2yu6 n TRP 111 Cb 0.05 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.84 2yu6 n TRP 111 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2yu6 n ASN 112 N -1.16 0.53 -4.09 -0.99 5.15 -0.77 -4.90 115.26 109.02 2yu6 n ASN 112 Ca 0.05 -2.63 -0.31 0.00 -0.60 0.00 0.00 54.58 51.09 2yu6 n ASN 112 Cb 0.35 -0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 38.97 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 2.43 -1.89 -2.80 1.20 8.00 -1.26 -0.46 116.55 121.78 2yu6 n ASP 113 Ca 0.27 -1.01 -0.11 0.00 0.71 0.00 0.00 54.79 54.65 2yu6 n ASP 113 Cb 0.45 -2.90 -0.02 0.00 -0.02 0.00 0.00 41.12 38.63 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 -2.82 -1.08 -4.82 -2.24 6.94 -1.03 -4.84 115.26 105.37 2yu6 n ASN 114 Ca -0.11 -0.03 -0.33 0.00 -0.02 0.00 0.00 54.58 54.08 2yu6 n ASN 114 Cb 0.59 -1.02 -0.07 0.00 -2.36 0.00 0.00 39.78 36.92 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 -4.93 4.22 0.69 -3.83 -0.14 0.40 -4.56 119.74 111.58 2yu6 s LYS 115 Ca 0.22 1.06 -0.17 0.00 -1.36 0.00 0.00 55.97 55.73 2yu6 s LYS 115 Cb -0.13 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 2yu6 s LYS 115 CO 0.27 0.03 0.94 1.17 -0.76 0.00 0.00 175.35 177.00 2yu6 n LYS 116 N -0.50 0.60 -0.16 1.68 4.81 -1.26 0.02 118.16 123.36 2yu6 n LYS 116 Ca 0.06 0.26 -0.03 0.00 -0.87 0.00 0.00 58.31 57.73 2yu6 n LYS 116 Cb 0.54 -2.18 0.06 0.00 0.02 0.00 0.00 35.03 33.46 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 -0.06 0.81 -0.03 3.15 2.07 -1.81 0.83 116.25 121.21 2yu6 h VAL 117 Ca -0.48 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2yu6 h VAL 117 Cb 1.34 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2yu6 h VAL 117 CO 0.48 0.06 0.28 0.06 0.02 0.00 0.00 177.57 178.47 2yu6 h GLN 118 N 0.32 0.00 -2.92 1.57 3.07 -1.87 -3.02 115.11 112.26 2yu6 h GLN 118 Ca 0.24 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 58.21 2yu6 h GLN 118 Cb 0.27 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 27.64 2yu6 h GLN 118 CO -0.26 0.00 1.72 -0.89 0.09 0.00 0.00 178.83 179.49 2yu6 n ILE 119 N -3.01 5.10 -4.15 1.86 5.41 0.28 -4.94 119.36 119.91 2yu6 n ILE 119 Ca -0.01 -4.96 -0.13 0.00 1.00 0.00 0.00 62.75 58.65 2yu6 n ILE 119 Cb 0.34 -2.09 -0.11 0.00 -0.71 0.00 0.00 39.64 37.08 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 -0.21 1.21 0.49 4.38 0.01 -1.15 -4.76 113.70 113.67 2yu6 s SER 120 Ca 0.42 -0.80 0.08 0.00 1.31 0.00 0.00 55.95 56.96 2yu6 s SER 120 Cb 0.13 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.44 2yu6 s SER 120 CO -0.02 -0.31 0.67 -0.13 0.41 0.00 0.00 173.24 173.86 2yu6 s ARG 121 N -2.78 2.61 -0.04 12.44 0.52 -1.26 -4.98 118.95 125.45 2yu6 s ARG 121 Ca 0.03 -1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 53.60 2yu6 s ARG 121 Cb -0.02 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 2yu6 s ARG 121 CO -0.01 -0.53 1.44 0.16 0.02 0.00 0.00 175.30 176.38 2yu6 s ASP 122 N -4.47 6.82 0.00 0.23 -4.77 -1.26 -2.83 116.67 110.39 2yu6 s ASP 122 Ca 0.58 2.07 0.00 0.00 -3.30 0.00 0.00 52.55 51.90 2yu6 s ASP 122 Cb -0.08 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 2yu6 s ASP 122 CO 0.36 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 176.06 2yu6 n GLY 123 N 3.76 0.55 3.80 2.12 0.00 0.84 -4.92 105.19 111.34 2yu6 n GLY 123 Ca 0.14 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yu6 s GLN 124 N -4.06 3.75 0.04 1.61 -1.52 -1.13 -4.91 119.66 113.45 2yu6 s GLN 124 Ca 0.00 -0.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 2yu6 s GLN 124 Cb 0.00 -3.27 -0.08 0.00 -0.22 0.00 0.00 33.01 29.45 2yu6 s GLN 124 CO 0.00 0.56 1.63 -2.00 -0.25 0.00 0.00 175.29 175.23 2yu6 s GLU 125 N -0.39 4.20 -0.20 2.91 2.12 -1.26 -2.88 118.70 123.20 2yu6 s GLU 125 Ca 0.11 2.27 -0.05 0.00 0.36 0.00 0.00 54.97 57.67 2yu6 s GLU 125 Cb -0.12 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 2yu6 s GLU 125 CO 0.01 -0.74 -0.01 -1.17 -0.54 0.00 0.00 175.26 172.82 2yu6 s LEU 126 N 2.84 3.19 0.31 2.70 2.96 0.22 -4.95 118.68 125.95 2yu6 s LEU 126 Ca 0.73 -0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 2yu6 s LEU 126 Cb -0.38 -1.80 -0.13 0.00 0.50 0.00 0.00 46.19 44.37 2yu6 s LEU 126 CO 0.31 0.06 1.11 1.21 -1.32 0.00 0.00 176.35 177.72 2yu6 n GLU 127 N 4.29 1.63 -0.11 1.98 2.13 -1.26 -3.96 120.64 125.34 2yu6 n GLU 127 Ca -0.17 0.57 -0.13 0.00 0.66 0.00 0.00 57.16 58.09 2yu6 n GLU 127 Cb 0.52 -2.02 -0.03 0.00 0.27 0.00 0.00 31.44 30.18 2yu6 n GLU 127 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2yu6 h PRO 128 N 2.18 0.89 -0.88 5.31 0.13 -1.93 0.56 132.00 138.26 2yu6 h PRO 128 Ca -0.42 -0.47 0.12 0.00 -0.87 0.00 0.00 66.00 64.36 2yu6 h PRO 128 Cb 1.32 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.38 2yu6 h PRO 128 CO 0.61 1.12 0.51 0.37 -0.23 0.00 0.00 178.00 180.38 2yu6 h GLN 129 N 0.69 0.76 0.06 0.86 4.15 -1.99 0.28 115.11 119.93 2yu6 h GLN 129 Ca 0.06 -0.05 -0.34 0.00 0.77 0.00 0.00 58.65 59.09 2yu6 h GLN 129 Cb 0.96 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 2yu6 h GLN 129 CO 0.09 0.50 -1.94 1.33 -1.93 0.00 0.00 178.83 176.89 2yu6 n VAL 130 N -4.75 1.67 -0.03 2.39 0.24 -1.20 -3.82 118.33 112.82 2yu6 n VAL 130 Ca 0.16 -0.72 -0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2yu6 n VAL 130 Cb 0.36 -1.35 0.29 0.00 -1.47 0.00 0.00 33.84 31.67 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 2.33 0.64 0.57 7.63 0.00 0.48 -0.75 103.07 113.98 2yu6 h GLY 131 Ca -0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 2yu6 h GLY 131 CO 0.07 0.33 -0.02 1.05 0.00 0.00 0.00 176.54 177.97 2yu6 h GLU 132 N 0.58 0.06 0.00 4.80 4.11 -0.61 -2.88 114.58 120.63 2yu6 h GLU 132 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2yu6 h GLU 132 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2yu6 h GLU 132 CO 0.00 0.50 0.00 0.00 0.07 0.00 0.00 179.01 179.59 2yu6 n GLN 133 N -4.82 0.02 0.06 1.06 10.64 -1.15 -2.54 117.38 120.66 2yu6 n GLN 133 Ca -0.08 0.20 -0.12 0.00 -1.83 0.00 0.00 57.00 55.17 2yu6 n GLN 133 Cb 0.26 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.00 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 -0.93 -3.35 115.31 119.70 2yu6 h LEU 134 Ca 0.00 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 2yu6 h LEU 134 Cb 0.28 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2yu6 h LEU 134 CO 0.00 1.21 -0.18 -0.07 -0.34 0.00 0.00 178.44 179.06 2yu6 h LEU 135 N 0.04 0.18 -1.62 2.25 3.38 -1.33 -3.19 115.31 115.01 2yu6 h LEU 135 Ca -0.13 -0.74 0.26 0.00 0.09 0.00 0.00 57.88 57.36 2yu6 h LEU 135 Cb 1.91 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 2yu6 h LEU 135 CO 0.15 0.89 0.89 0.06 0.09 0.00 0.00 178.44 180.53 2yu6 h GLN 136 N -0.52 0.00 -0.86 1.13 3.07 -1.69 0.24 115.11 116.48 2yu6 h GLN 136 Ca -0.02 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.86 2yu6 h GLN 136 Cb 0.91 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.38 2yu6 h GLN 136 CO 0.04 0.00 0.46 -0.07 0.09 0.00 0.00 178.83 179.34 2yu6 h LEU 137 N 0.00 0.58 -2.16 0.06 3.38 -1.67 0.31 115.31 115.80 2yu6 h LEU 137 Ca 0.43 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.50 2yu6 h LEU 137 Cb 2.21 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.95 2yu6 h LEU 137 CO -0.00 0.25 0.28 -0.50 0.09 0.00 0.00 178.44 178.56 2yu6 h TRP 138 N 0.66 0.00 0.00 1.13 6.55 -0.73 0.47 115.95 124.04 2yu6 h TRP 138 Ca 0.46 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 60.21 2yu6 h TRP 138 Cb 0.63 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.91 2yu6 h TRP 138 CO -0.08 0.00 -0.44 0.93 -1.05 0.00 0.00 178.44 177.80 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.53 -3.16 114.58 116.46 2yu6 h GLU 139 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2yu6 h GLU 139 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2yu6 h GLU 139 CO -0.00 0.44 -0.31 0.00 -1.00 0.00 0.00 179.01 178.14 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 -0.07 -3.53 114.38 116.19 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 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2yu6 h ARG 140 CO 0.06 0.31 0.00 1.28 -1.07 0.00 0.00 179.97 180.55