#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 s SER 2 N 0.00 -0.01 0.12 1.61 0.15 -1.26 -5.12 113.70 109.19 2yu0 s SER 2 Ca 0.00 0.08 -0.32 0.00 0.70 0.00 0.00 55.95 56.41 2yu0 s SER 2 Cb 0.00 0.04 -0.11 0.00 -1.71 0.00 0.00 66.02 64.23 2yu0 s SER 2 CO 0.00 -0.06 1.79 -1.20 1.20 0.00 0.00 173.24 174.96 2yu0 n SER 3 N 3.55 3.83 -4.49 5.45 7.64 -1.26 -4.98 113.62 123.37 2yu0 n SER 3 Ca -0.19 1.01 -0.34 0.00 1.01 0.00 0.00 58.87 60.37 2yu0 n SER 3 Cb 0.56 -1.51 -0.12 0.00 -1.01 0.00 0.00 64.21 62.12 2yu0 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu0 s GLY 4 N 2.36 1.70 -0.29 0.23 0.00 -1.26 -5.08 107.32 104.99 2yu0 s GLY 4 Ca 0.82 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 2yu0 s GLY 4 CO 0.38 -0.08 0.09 -0.56 0.00 0.00 0.00 173.10 172.93 2yu0 s SER 5 N 0.36 3.84 0.01 1.64 0.01 -1.26 -5.01 113.70 113.29 2yu0 s SER 5 Ca -0.05 -1.49 -0.25 0.00 1.31 0.00 0.00 55.95 55.47 2yu0 s SER 5 Cb -0.14 -0.79 -0.19 0.00 0.21 0.00 0.00 66.02 65.11 2yu0 s SER 5 CO 0.03 -0.40 1.39 -1.28 0.41 0.00 0.00 173.24 173.40 2yu0 h SER 6 N 8.13 -0.03 0.00 2.44 0.87 -2.05 -3.46 113.55 119.45 2yu0 h SER 6 Ca -0.15 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2yu0 h SER 6 Cb 1.03 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2yu0 h SER 6 CO 0.45 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.67 2yu0 n GLY 7 N -0.18 1.77 2.98 5.77 0.00 -1.26 -4.97 105.19 109.30 2yu0 n GLY 7 Ca -0.08 -0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 2yu0 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yu0 n ILE 8 N 0.00 0.87 -3.83 -0.61 5.41 -1.26 -4.96 119.36 114.97 2yu0 n ILE 8 Ca 0.00 -0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.41 2yu0 n ILE 8 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 2yu0 n ILE 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2yu0 s VAL 9 N -0.43 0.03 0.46 1.39 0.11 -1.26 -5.02 120.40 115.68 2yu0 s VAL 9 Ca 0.67 -0.28 0.38 0.00 -2.93 0.00 0.00 61.98 59.82 2yu0 s VAL 9 Cb -0.95 -0.34 0.57 0.00 -1.53 0.00 0.00 36.38 34.13 2yu0 s VAL 9 CO 0.49 -0.15 1.45 0.18 -3.33 0.00 0.00 175.10 173.74 2yu0 n LEU 10 N 2.34 0.11 0.15 2.54 4.32 -1.26 0.55 117.00 125.75 2yu0 n LEU 10 Ca -0.17 1.13 -0.14 0.00 -0.02 0.00 0.00 56.01 56.82 2yu0 n LEU 10 Cb 0.57 -0.56 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 2yu0 n LEU 10 CO 0.20 -1.20 0.68 0.25 -1.22 0.00 0.00 177.39 176.11 2yu0 h LEU 11 N 0.00 -0.76 -1.30 2.23 7.12 -1.95 -1.81 115.31 118.84 2yu0 h LEU 11 Ca 0.85 0.08 0.40 0.00 0.13 0.00 0.00 57.88 59.34 2yu0 h LEU 11 Cb 3.04 0.27 -0.08 0.00 -0.53 0.00 0.00 40.66 43.36 2yu0 h LEU 11 CO -0.25 -0.38 0.90 -1.14 -0.13 0.00 0.00 178.44 177.43 2yu0 n ARG 12 N -5.39 -0.01 -0.51 1.25 0.63 0.19 -0.36 116.66 112.45 2yu0 n ARG 12 Ca -0.08 0.89 0.40 0.00 -0.92 0.00 0.00 57.85 58.14 2yu0 n ARG 12 Cb 0.30 -1.90 0.63 0.00 0.45 0.00 0.00 32.46 31.94 2yu0 n ARG 12 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2yu0 n GLY 13 N -1.56 -0.76 0.07 5.14 0.00 -0.68 -0.14 105.19 107.25 2yu0 n GLY 13 Ca 0.33 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.86 2yu0 n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yu0 h LEU 14 N 0.00 0.00 -0.80 0.99 3.38 -0.94 -3.38 115.31 114.57 2yu0 h LEU 14 Ca 0.75 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.67 2yu0 h LEU 14 Cb 2.82 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 43.46 2yu0 h LEU 14 CO -0.13 0.81 0.27 -0.33 0.09 0.00 0.00 178.44 179.15 2yu0 h GLU 15 N -1.00 0.34 -0.79 1.13 5.08 -0.71 -2.27 114.58 116.36 2yu0 h GLU 15 Ca -0.05 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2yu0 h GLU 15 Cb 0.51 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 2yu0 h GLU 15 CO -0.03 0.22 -0.46 0.00 -1.00 0.00 0.00 179.01 177.74 2yu0 s ILE 17 N -5.04 2.64 0.44 0.00 -4.36 -0.86 -5.00 121.20 109.03 2yu0 s ILE 17 Ca -0.09 0.47 -0.21 0.00 -0.26 0.00 0.00 60.65 60.56 2yu0 s ILE 17 Cb 0.09 -3.23 -0.10 0.00 1.25 0.00 0.00 42.46 40.46 2yu0 s ILE 17 CO 0.49 -0.02 0.96 0.20 0.24 0.00 0.00 174.94 176.81 2yu0 s ASN 18 N -1.23 6.85 0.25 4.36 -0.87 -1.26 -4.73 114.94 118.30 2yu0 s ASN 18 Ca 0.68 1.71 0.03 0.00 -1.57 0.00 0.00 52.86 53.71 2yu0 s ASN 18 Cb -0.33 -2.54 0.63 0.00 -0.02 0.00 0.00 41.25 38.99 2yu0 s ASN 18 CO 0.40 -0.42 1.23 0.29 -2.57 0.00 0.00 177.10 176.02 2yu0 n LYS 19 N -0.75 -0.06 -0.33 -0.60 4.01 -1.26 -0.29 118.16 118.88 2yu0 n LYS 19 Ca 0.07 1.17 -0.09 0.00 -0.51 0.00 0.00 58.31 58.95 2yu0 n LYS 19 Cb 0.54 -1.88 -0.08 0.00 -0.51 0.00 0.00 35.03 33.10 2yu0 n LYS 19 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2yu0 h HIS 20 N 0.00 -1.55 -0.24 2.13 -0.00 -2.01 0.35 115.15 113.83 2yu0 h HIS 20 Ca 0.49 0.10 -0.09 0.00 -0.00 0.00 0.00 60.37 60.87 2yu0 h HIS 20 Cb 1.04 0.78 -0.00 0.00 -0.00 0.00 0.00 27.41 29.23 2yu0 h HIS 20 CO -0.37 -0.31 -0.21 1.88 -0.00 0.00 0.00 177.93 178.92 2yu0 h TYR 21 N -0.02 0.67 -0.95 5.26 0.05 -1.01 -3.17 116.97 117.80 2yu0 h TYR 21 Ca 0.13 -0.19 0.29 0.00 0.05 0.00 0.00 58.73 59.00 2yu0 h TYR 21 Cb 0.35 -0.14 -0.17 0.00 1.01 0.00 0.00 36.73 37.78 2yu0 h TYR 21 CO -1.00 0.88 0.22 0.35 -1.05 0.00 0.00 178.16 177.57 2yu0 h PHE 22 N 0.27 0.30 -0.85 4.88 3.57 0.03 0.76 116.94 125.89 2yu0 h PHE 22 Ca 0.04 0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.72 2yu0 h PHE 22 Cb 0.75 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.43 2yu0 h PHE 22 CO 0.07 -0.35 0.47 1.03 -2.23 0.00 0.00 178.31 177.30 2yu0 h SER 23 N 0.09 0.62 -0.36 0.41 0.87 -0.95 -1.33 113.55 112.90 2yu0 h SER 23 Ca 0.64 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 61.20 2yu0 h SER 23 Cb 1.40 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2yu0 h SER 23 CO -0.78 0.31 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.71 2yu0 h LEU 24 N 0.72 0.67 -0.47 2.23 4.07 0.38 -2.85 115.31 120.05 2yu0 h LEU 24 Ca 0.44 -0.34 0.07 0.00 0.08 0.00 0.00 57.88 58.13 2yu0 h LEU 24 Cb 0.53 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.03 2yu0 h LEU 24 CO -0.31 0.85 0.14 0.15 -1.08 0.00 0.00 178.44 178.19 2yu0 h PHE 25 N 0.47 0.25 -0.47 1.13 3.57 -0.61 -0.76 116.94 120.53 2yu0 h PHE 25 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2yu0 h PHE 25 Cb 0.53 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2yu0 h PHE 25 CO 0.04 0.07 0.31 0.87 -2.23 0.00 0.00 178.31 177.37 2yu0 h LYS 26 N 0.30 0.59 -0.59 1.11 1.57 -1.25 -1.52 116.57 116.78 2yu0 h LYS 26 Ca 0.23 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2yu0 h LYS 26 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2yu0 h LYS 26 CO -0.26 0.39 -0.03 1.03 -0.57 0.00 0.00 179.45 180.02 2yu0 h SER 27 N 0.61 1.05 0.08 0.86 0.87 -0.93 0.98 113.55 117.07 2yu0 h SER 27 Ca 0.18 -0.31 -0.13 0.00 -1.23 0.00 0.00 61.79 60.30 2yu0 h SER 27 Cb -0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 2yu0 h SER 27 CO -0.04 1.11 -0.43 -0.07 -0.53 0.00 0.00 176.83 176.86 2yu0 h LEU 28 N 0.96 0.47 0.00 2.23 3.38 -0.60 -3.07 115.31 118.69 2yu0 h LEU 28 Ca 0.17 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2yu0 h LEU 28 Cb 0.59 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2yu0 h LEU 28 CO 0.04 0.85 -1.09 -0.07 0.09 0.00 0.00 178.44 178.25 2yu0 h LEU 29 N 0.36 0.00 -0.69 1.67 -0.00 -1.10 -3.37 115.31 112.18 2yu0 h LEU 29 Ca 0.03 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.06 2yu0 h LEU 29 Cb 0.91 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.44 2yu0 h LEU 29 CO 0.08 0.56 -0.13 0.00 -0.00 0.00 0.00 178.44 178.94 2yu0 n ALA 30 N -2.33 0.21 0.09 1.53 0.00 0.34 0.12 120.51 120.47 2yu0 n ALA 30 Ca -0.05 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 2yu0 n ALA 30 Cb 0.80 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 2yu0 n ALA 30 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2yu0 h ARG 31 N 0.00 -0.17 0.72 0.00 -0.00 -1.74 1.15 114.38 114.34 2yu0 h ARG 31 Ca 0.35 0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 60.31 2yu0 h ARG 31 Cb 0.58 0.04 0.01 0.00 -0.00 0.00 0.00 29.97 30.60 2yu0 h ARG 31 CO -0.70 -0.03 -0.34 -0.44 -0.00 0.00 0.00 179.97 178.46 2yu0 h ASP 32 N -0.26 -0.82 0.00 0.08 3.32 0.74 -2.76 116.42 116.71 2yu0 h ASP 32 Ca -0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2yu0 h ASP 32 Cb 0.21 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2yu0 h ASP 32 CO 0.03 -0.50 0.00 0.18 -1.72 0.00 0.00 179.24 177.22 2yu0 n LEU 33 N -5.03 0.00 -4.26 1.55 4.77 0.20 -4.86 117.00 109.37 2yu0 n LEU 33 Ca -0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.54 2yu0 n LEU 33 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 2yu0 n LEU 33 CO 0.29 0.00 -0.33 0.59 -1.33 0.00 0.00 177.39 176.61 2yu0 n ASN 34 N -0.80 -0.21 -3.21 -1.43 4.13 0.36 -4.91 115.26 109.19 2yu0 n ASN 34 Ca 0.10 -1.18 -0.20 0.00 1.68 0.00 0.00 54.58 54.97 2yu0 n ASN 34 Cb 0.05 -2.05 0.18 0.00 -1.54 0.00 0.00 39.78 36.41 2yu0 n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2yu0 n LEU 35 N -4.44 0.00 0.00 3.41 4.77 0.62 -4.99 117.00 116.37 2yu0 n LEU 35 Ca -0.21 -0.75 -0.11 0.00 -0.03 0.00 0.00 56.01 54.90 2yu0 n LEU 35 Cb 0.64 -0.68 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2yu0 n LEU 35 CO 0.85 -1.90 0.32 -0.62 -1.33 0.00 0.00 177.39 174.70 2yu0 n GLU 36 N -3.92 -0.32 -0.08 3.23 1.02 -1.26 -4.92 120.64 114.39 2yu0 n GLU 36 Ca 0.10 -0.88 -0.08 0.00 -0.02 0.00 0.00 57.16 56.28 2yu0 n GLU 36 Cb 0.40 -0.48 -0.11 0.00 -0.02 0.00 0.00 31.44 31.23 2yu0 n GLU 36 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2yu0 n ARG 37 N -2.03 1.41 -0.01 3.49 -4.01 -1.26 -4.47 116.66 109.79 2yu0 n ARG 37 Ca 0.07 0.01 -0.00 0.00 -1.04 0.00 0.00 57.85 56.89 2yu0 n ARG 37 Cb 0.23 -1.37 -0.02 0.00 -3.04 0.00 0.00 32.46 28.26 2yu0 n ARG 37 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2yu0 n ASP 38 N -2.63 4.48 0.00 2.89 2.03 -1.26 -4.58 116.55 117.48 2yu0 n ASP 38 Ca -0.25 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.18 2yu0 n ASP 38 Cb 0.95 0.73 0.65 0.00 -0.72 0.00 0.00 41.12 42.73 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2yu0 n ASN 39 N -1.92 0.00 0.00 1.67 2.85 -1.26 -3.32 115.26 113.28 2yu0 n ASN 39 Ca -0.02 -0.06 0.01 0.00 -0.11 0.00 0.00 54.58 54.40 2yu0 n ASN 39 Cb 0.40 -0.29 0.06 0.00 1.24 0.00 0.00 39.78 41.19 2yu0 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yu0 n GLN 40 N -1.29 0.00 -0.06 1.20 6.02 -1.26 -2.82 117.38 119.17 2yu0 n GLN 40 Ca 0.12 0.44 -0.03 0.00 -0.01 0.00 0.00 57.00 57.52 2yu0 n GLN 40 Cb 0.21 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 2yu0 n GLN 40 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2yu0 h GLU 41 N 0.00 0.00 -0.82 -1.09 5.08 -1.91 -3.39 114.58 112.45 2yu0 h GLU 41 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 2yu0 h GLU 41 Cb 0.05 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.15 2yu0 h GLU 41 CO 0.00 0.00 -0.01 -0.56 -1.00 0.00 0.00 179.01 177.44 2yu0 h GLN 42 N -0.85 0.07 -4.57 2.33 3.07 -1.77 -3.42 115.11 109.98 2yu0 h GLN 42 Ca 0.00 -0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.29 2yu0 h GLN 42 Cb 0.34 -0.02 0.15 0.00 0.08 0.00 0.00 27.48 28.03 2yu0 h GLN 42 CO 0.00 0.05 -1.03 0.66 0.09 0.00 0.00 178.83 178.60 2yu0 n TYR 43 N -5.40 -2.69 -4.36 0.06 4.01 -1.13 -4.98 117.16 102.68 2yu0 n TYR 43 Ca 0.15 0.25 -0.20 0.00 -0.16 0.00 0.00 57.90 57.95 2yu0 n TYR 43 Cb 0.53 -1.23 -0.10 0.00 -0.31 0.00 0.00 39.34 38.22 2yu0 n TYR 43 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2yu0 s THR 44 N -1.52 1.83 0.59 -0.72 -4.23 -1.26 -5.00 115.64 105.33 2yu0 s THR 44 Ca 0.40 -2.19 0.33 0.00 -1.18 0.00 0.00 61.69 59.05 2yu0 s THR 44 Cb -0.31 -2.04 0.49 0.00 1.34 0.00 0.00 72.50 71.97 2yu0 s THR 44 CO 0.54 -0.53 1.48 0.71 -0.54 0.00 0.00 174.62 176.28 2yu0 h THR 45 N 2.63 0.08 0.14 3.99 1.35 -1.98 -0.22 112.91 118.90 2yu0 h THR 45 Ca -0.39 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 2yu0 h THR 45 Cb 1.22 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2yu0 h THR 45 CO 0.60 0.00 -0.07 0.40 -0.25 0.00 0.00 175.52 176.21 2yu0 h ILE 46 N 0.00 0.00 -0.88 6.82 1.08 -1.98 -1.67 117.51 120.88 2yu0 h ILE 46 Ca 0.57 -0.39 0.23 0.00 -0.39 0.00 0.00 64.86 64.88 2yu0 h ILE 46 Cb 2.86 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 36.48 2yu0 h ILE 46 CO -0.01 0.00 0.31 1.56 -0.69 0.00 0.00 178.15 179.33 2yu0 h GLN 47 N -0.57 0.29 -0.10 2.37 4.20 -1.48 0.53 115.11 120.35 2yu0 h GLN 47 Ca -0.02 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2yu0 h GLN 47 Cb 0.14 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2yu0 h GLN 47 CO 0.03 0.19 -0.47 0.82 -0.67 0.00 0.00 178.83 178.73 2yu0 h ILE 48 N 0.29 1.33 0.24 2.54 1.08 -1.40 -3.21 117.51 118.39 2yu0 h ILE 48 Ca 0.55 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 2yu0 h ILE 48 Cb 1.09 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 2yu0 h ILE 48 CO -0.59 0.50 -0.11 0.00 -0.69 0.00 0.00 178.15 177.25 2yu0 h ALA 49 N 1.31 -0.98 -0.43 1.87 0.00 0.10 -2.93 119.26 118.21 2yu0 h ALA 49 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2yu0 h ALA 49 Cb 0.91 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2yu0 h ALA 49 CO 0.07 -0.96 -0.25 0.09 0.00 0.00 0.00 179.25 178.20 2yu0 n ASN 50 N -2.93 -0.46 -0.31 0.00 3.02 -0.70 0.32 115.26 114.21 2yu0 n ASN 50 Ca -0.04 1.26 0.14 0.00 -0.03 0.00 0.00 54.58 55.91 2yu0 n ASN 50 Cb 0.12 -0.35 0.27 0.00 -0.61 0.00 0.00 39.78 39.22 2yu0 n ASN 50 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2yu0 n MET 51 N -3.96 -0.07 -0.08 3.52 2.81 -1.21 0.12 117.12 118.24 2yu0 n MET 51 Ca 0.01 1.36 -0.13 0.00 -1.81 0.00 0.00 57.70 57.12 2yu0 n MET 51 Cb 0.11 -2.17 -0.05 0.00 -0.71 0.00 0.00 33.22 30.41 2yu0 n MET 51 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2yu0 h MET 52 N 0.00 0.65 -0.90 0.03 2.86 0.07 -0.99 114.93 116.64 2yu0 h MET 52 Ca 0.56 -0.35 0.16 0.00 -2.06 0.00 0.00 59.70 58.01 2yu0 h MET 52 Cb 1.15 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.73 2yu0 h MET 52 CO -0.85 0.96 0.49 0.93 1.06 0.00 0.00 176.91 179.50 2yu0 h GLU 53 N 0.37 0.64 0.20 1.72 5.08 0.45 0.20 114.58 123.23 2yu0 h GLU 53 Ca 0.04 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 2yu0 h GLU 53 Cb 0.86 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 30.00 2yu0 h GLU 53 CO 0.07 0.42 -1.39 0.93 -1.00 0.00 0.00 179.01 178.05 2yu0 h GLU 54 N 0.65 0.51 0.13 2.33 4.39 -1.12 -3.12 114.58 118.35 2yu0 h GLU 54 Ca 0.51 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2yu0 h GLU 54 Cb 0.75 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2yu0 h GLU 54 CO -0.38 1.39 -0.11 0.87 -1.16 0.00 0.00 179.01 179.61 2yu0 h LYS 55 N 0.16 -0.25 -3.05 2.33 1.79 -0.10 -3.35 116.57 114.10 2yu0 h LYS 55 Ca -0.22 0.02 -0.62 0.00 -2.18 0.00 0.00 60.65 57.65 2yu0 h LYS 55 Cb 2.08 0.06 -0.41 0.00 -1.58 0.00 0.00 32.23 32.38 2yu0 h LYS 55 CO 0.26 -0.17 -0.67 -0.06 -1.08 0.00 0.00 179.45 177.73 2yu0 s PHE 56 N -6.15 2.87 -2.00 -1.35 0.08 0.59 -4.93 117.98 107.09 2yu0 s PHE 56 Ca -0.14 -3.00 0.15 0.00 0.12 0.00 0.00 56.93 54.06 2yu0 s PHE 56 Cb 0.06 -2.36 0.91 0.00 -0.57 0.00 0.00 43.02 41.07 2yu0 s PHE 56 CO 0.65 -0.67 1.33 -0.35 -0.10 0.00 0.00 175.22 176.08 2yu0 n PRO 57 N 2.66 0.49 -0.08 0.24 -0.04 -1.18 0.10 135.00 137.19 2yu0 n PRO 57 Ca 0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2yu0 n PRO 57 Cb 0.36 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 2yu0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 h ALA 58 N 2.96 0.11 0.00 0.55 0.00 -1.91 -3.41 119.26 117.55 2yu0 h ALA 58 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2yu0 h ALA 58 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2yu0 h ALA 58 CO 0.00 0.46 -0.67 -0.40 0.00 0.00 0.00 179.25 178.64 2yu0 n ASP 59 N -4.56 0.74 -2.37 0.00 5.75 -1.19 -4.99 116.55 109.93 2yu0 n ASP 59 Ca -0.17 -0.70 -0.20 0.00 -0.01 0.00 0.00 54.79 53.71 2yu0 n ASP 59 Cb 0.43 1.06 -0.01 0.00 -1.03 0.00 0.00 41.12 41.56 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2yu0 n SER 60 N -1.35 -5.70 0.00 -1.12 3.41 0.29 -0.63 113.62 108.51 2yu0 n SER 60 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2yu0 n SER 60 Cb 0.20 -4.77 0.00 0.00 -0.26 0.00 0.00 64.21 59.38 2yu0 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 61 N -0.97 1.17 0.22 5.00 0.00 -1.25 -4.42 105.19 104.95 2yu0 n GLY 61 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 2yu0 n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yu0 h LEU 62 N 0.00 -0.56 -0.04 0.99 5.85 -1.18 -0.89 115.31 119.48 2yu0 h LEU 62 Ca 0.00 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2yu0 h LEU 62 Cb 0.00 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2yu0 h LEU 62 CO 0.00 -0.20 0.01 1.23 -0.34 0.00 0.00 178.44 179.14 2yu0 h GLY 63 N -0.09 0.07 -0.05 3.75 0.00 -1.92 -2.14 103.07 102.68 2yu0 h GLY 63 Ca 0.19 -0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.66 2yu0 h GLY 63 CO -0.45 0.04 0.36 1.70 0.00 0.00 0.00 176.54 178.20 2yu0 h LYS 64 N -0.16 0.42 0.69 4.80 1.63 -1.84 -2.34 116.57 119.77 2yu0 h LYS 64 Ca 0.01 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2yu0 h LYS 64 Cb 0.24 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2yu0 h LYS 64 CO 0.00 0.28 -0.33 1.25 -3.45 0.00 0.00 179.45 177.20 2yu0 h LEU 65 N 0.43 -0.79 -0.72 5.20 7.12 -1.05 -3.07 115.31 122.43 2yu0 h LEU 65 Ca 0.50 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.60 2yu0 h LEU 65 Cb 0.88 0.20 -0.09 0.00 -0.53 0.00 0.00 40.66 41.12 2yu0 h LEU 65 CO -0.48 -0.40 -0.41 -0.38 -0.13 0.00 0.00 178.44 176.64 2yu0 n ILE 66 N -5.39 -0.48 -0.03 4.05 5.41 -0.82 0.02 119.36 122.13 2yu0 n ILE 66 Ca -0.12 1.73 -0.13 0.00 1.00 0.00 0.00 62.75 65.24 2yu0 n ILE 66 Cb 0.37 -2.16 -0.07 0.00 -0.71 0.00 0.00 39.64 37.07 2yu0 n ILE 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2yu0 h GLU 67 N 0.00 -0.47 -1.00 0.38 4.39 -1.53 0.08 114.58 116.44 2yu0 h GLU 67 Ca 0.13 0.03 0.39 0.00 0.34 0.00 0.00 59.36 60.25 2yu0 h GLU 67 Cb 0.31 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 28.89 2yu0 h GLU 67 CO -0.68 -0.31 0.52 0.35 -1.16 0.00 0.00 179.01 177.73 2yu0 h PHE 68 N -0.48 0.81 0.07 4.33 3.57 -0.31 0.36 116.94 125.29 2yu0 h PHE 68 Ca 0.08 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2yu0 h PHE 68 Cb 0.63 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2yu0 h PHE 68 CO -0.55 -0.41 -0.03 0.00 -2.23 0.00 0.00 178.31 175.09 2yu0 h GLU 70 N -0.51 -0.01 -0.67 0.00 4.39 0.49 0.39 114.58 118.65 2yu0 h GLU 70 Ca -0.01 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.82 2yu0 h GLU 70 Cb 0.44 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 2yu0 h GLU 70 CO 0.02 -0.00 0.20 0.93 -1.16 0.00 0.00 179.01 178.99 2yu0 h GLU 71 N -0.01 0.32 -5.80 2.33 4.39 -1.46 -3.39 114.58 110.96 2yu0 h GLU 71 Ca 0.40 -0.02 -0.59 0.00 0.34 0.00 0.00 59.36 59.50 2yu0 h GLU 71 Cb 0.62 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 2yu0 h GLU 71 CO -0.88 0.21 0.24 0.08 -1.16 0.00 0.00 179.01 177.50 2yu0 s VAL 72 N -6.07 4.96 -1.95 3.13 1.01 0.14 -4.93 120.40 116.69 2yu0 s VAL 72 Ca -0.13 1.39 0.16 0.00 0.00 0.00 0.00 61.98 63.40 2yu0 s VAL 72 Cb 0.19 -4.03 0.43 0.00 0.00 0.00 0.00 36.38 32.97 2yu0 s VAL 72 CO 0.75 0.08 1.35 -0.81 0.00 0.00 0.00 175.10 176.47 2yu0 n PRO 73 N 5.09 0.46 -0.01 2.72 -0.04 -1.26 -1.77 135.00 140.18 2yu0 n PRO 73 Ca 0.01 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2yu0 n PRO 73 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 2yu0 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 n ALA 74 N -1.03 2.46 0.00 0.55 0.00 -1.26 -4.47 120.51 116.76 2yu0 n ALA 74 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2yu0 n ALA 74 Cb 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2yu0 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yu0 n LEU 75 N 0.78 0.00 -0.23 0.00 4.77 -0.73 -4.71 117.00 116.88 2yu0 n LEU 75 Ca 0.08 -0.11 0.25 0.00 -0.03 0.00 0.00 56.01 56.20 2yu0 n LEU 75 Cb 0.35 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.06 2yu0 n LEU 75 CO 0.09 0.00 1.25 0.03 -1.33 0.00 0.00 177.39 177.42 2yu0 h ARG 76 N 0.00 0.20 -0.81 3.23 3.08 -1.36 0.59 114.38 119.30 2yu0 h ARG 76 Ca 0.00 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.16 2yu0 h ARG 76 Cb 0.00 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 2yu0 h ARG 76 CO 0.00 0.13 0.42 -0.22 -1.07 0.00 0.00 179.97 179.23 2yu0 h LYS 77 N 0.20 0.62 0.09 0.04 3.64 -1.86 -2.12 116.57 117.17 2yu0 h LYS 77 Ca 0.47 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.58 2yu0 h LYS 77 Cb 1.52 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 33.22 2yu0 h LYS 77 CO -0.11 0.41 -0.97 0.00 -2.27 0.00 0.00 179.45 176.51 2yu0 h ARG 78 N 0.64 0.51 -0.38 1.90 2.47 -1.25 -3.28 114.38 114.99 2yu0 h ARG 78 Ca 0.42 -0.66 0.04 0.00 -1.26 0.00 0.00 59.98 58.52 2yu0 h ARG 78 Cb 0.54 0.21 -0.05 0.00 -1.65 0.00 0.00 29.97 29.02 2yu0 h ARG 78 CO -0.32 1.27 -0.28 0.00 0.56 0.00 0.00 179.97 181.20 2yu0 h ALA 79 N 0.26 -0.38 -0.82 0.04 0.00 -0.87 0.31 119.26 117.81 2yu0 h ALA 79 Ca -0.15 0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.98 2yu0 h ALA 79 Cb 1.68 1.08 -0.11 0.00 0.00 0.00 0.00 17.79 20.44 2yu0 h ALA 79 CO 0.19 -0.55 0.33 1.05 0.00 0.00 0.00 179.25 180.26 2yu0 h GLU 80 N -0.08 0.40 -0.40 0.00 -0.00 -1.63 -0.07 114.58 112.81 2yu0 h GLU 80 Ca 0.06 -0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.42 2yu0 h GLU 80 Cb 0.24 -0.09 -0.03 0.00 -0.00 0.00 0.00 28.75 28.87 2yu0 h GLU 80 CO -0.40 0.27 0.23 0.82 -0.00 0.00 0.00 179.01 179.93 2yu0 h ILE 81 N 0.41 1.03 -0.41 -1.06 2.04 -0.87 -2.44 117.51 116.21 2yu0 h ILE 81 Ca 0.48 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.18 2yu0 h ILE 81 Cb 0.82 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2yu0 h ILE 81 CO -0.47 0.09 0.26 -0.07 0.00 0.00 0.00 178.15 177.96 2yu0 h LEU 82 N 0.47 0.48 -1.96 1.44 3.38 0.13 -1.88 115.31 117.37 2yu0 h LEU 82 Ca 0.16 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.23 2yu0 h LEU 82 Cb 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2yu0 h LEU 82 CO -0.08 0.37 0.33 0.11 0.09 0.00 0.00 178.44 179.25 2yu0 h LYS 83 N 0.55 0.05 -0.46 1.13 1.57 -0.88 0.26 116.57 118.79 2yu0 h LYS 83 Ca 0.15 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2yu0 h LYS 83 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2yu0 h LYS 83 CO -0.03 0.03 0.06 -0.22 -0.57 0.00 0.00 179.45 178.72 2yu0 h LYS 84 N 0.05 0.71 0.10 3.15 3.64 -0.87 -3.09 116.57 120.26 2yu0 h LYS 84 Ca 0.22 -0.16 -0.33 0.00 -1.27 0.00 0.00 60.65 59.11 2yu0 h LYS 84 Cb 0.81 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2yu0 h LYS 84 CO -0.01 0.69 -1.80 0.93 -2.27 0.00 0.00 179.45 176.98 2yu0 h GLU 85 N 0.68 0.21 -0.79 1.90 5.08 -0.93 -3.38 114.58 117.35 2yu0 h GLU 85 Ca 0.15 -0.36 0.14 0.00 -1.00 0.00 0.00 59.36 58.29 2yu0 h GLU 85 Cb 0.34 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.58 2yu0 h GLU 85 CO 0.01 1.03 -0.25 -2.13 -1.00 0.00 0.00 179.01 176.66 2yu0 n ARG 86 N -3.38 -0.13 -2.71 2.33 0.63 0.70 -3.55 116.66 110.55 2yu0 n ARG 86 Ca -0.24 1.23 -0.43 0.00 -0.92 0.00 0.00 57.85 57.50 2yu0 n ARG 86 Cb 1.05 -1.83 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 2yu0 n ARG 86 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2yu0 s SER 87 N -5.24 6.39 0.00 6.15 0.01 -1.24 -4.76 113.70 115.00 2yu0 s SER 87 Ca -0.11 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2yu0 s SER 87 Cb 0.19 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2yu0 s SER 87 CO 0.59 -1.36 0.00 -0.62 0.41 0.00 0.00 173.24 172.27 2yu0 n GLU 88 N 7.96 2.70 0.00 12.44 1.02 -1.23 -4.72 120.64 138.80 2yu0 n GLU 88 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2yu0 n GLU 88 Cb 0.48 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 2yu0 n GLU 88 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2yu0 n SER 89 N -1.25 0.45 -3.19 1.62 3.41 -1.26 -5.09 113.62 108.30 2yu0 n SER 89 Ca 0.00 -0.97 -0.14 0.00 -0.26 0.00 0.00 58.87 57.50 2yu0 n SER 89 Cb 0.00 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 90 N 0.02 3.79 3.75 5.00 0.00 -1.26 -5.11 105.19 111.37 2yu0 n GLY 90 Ca 0.00 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 2yu0 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu0 s PRO 91 N -2.83 4.42 0.00 1.61 0.04 -1.26 -4.92 135.00 132.05 2yu0 s PRO 91 Ca 0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2yu0 s PRO 91 Cb -0.00 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2yu0 s PRO 91 CO 0.01 -0.18 0.00 -1.13 0.04 0.00 0.00 177.00 175.75 2yu0 n SER 92 N 2.08 2.10 -0.20 6.66 3.41 -1.26 -4.80 113.62 121.61 2yu0 n SER 92 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.66 2yu0 n SER 92 Cb 0.43 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.49 2yu0 n SER 92 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yu0 h SER 93 N 0.00 -0.07 0.00 4.04 0.02 -2.01 -3.53 113.55 112.00 2yu0 h SER 93 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2yu0 h SER 93 Cb 0.74 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2yu0 h SER 93 CO 0.00 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.27