#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 n SER 2 N 0.00 -2.27 -3.72 1.61 7.64 -1.26 -4.99 113.62 110.63 2yu0 n SER 2 Ca 0.00 -0.77 -0.24 0.00 1.01 0.00 0.00 58.87 58.88 2yu0 n SER 2 Cb 0.00 -4.23 -0.17 0.00 -1.01 0.00 0.00 64.21 58.79 2yu0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu0 s SER 3 N -4.11 1.86 0.06 6.43 0.15 -1.26 -5.14 113.70 111.70 2yu0 s SER 3 Ca 0.16 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.55 2yu0 s SER 3 Cb -0.08 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2yu0 s SER 3 CO 0.80 -0.25 0.16 -0.83 1.20 0.00 0.00 173.24 174.32 2yu0 s GLY 4 N 2.01 2.13 0.01 9.45 0.00 -1.26 -5.01 107.32 114.64 2yu0 s GLY 4 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2yu0 s GLY 4 CO -0.06 -0.87 0.00 -1.14 0.00 0.00 0.00 173.10 171.04 2yu0 n SER 5 N 0.40 0.05 0.21 1.64 3.41 -1.26 -4.76 113.62 113.31 2yu0 n SER 5 Ca -0.07 0.01 0.05 0.00 -0.26 0.00 0.00 58.87 58.61 2yu0 n SER 5 Cb 0.51 -0.01 0.48 0.00 -0.26 0.00 0.00 64.21 64.93 2yu0 n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2yu0 h SER 6 N 0.00 0.00 0.00 4.04 4.64 -2.09 -3.46 113.55 116.69 2yu0 h SER 6 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yu0 h SER 6 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2yu0 h SER 6 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2yu0 n GLY 7 N -0.70 0.57 2.58 -0.77 0.00 -1.26 -4.84 105.19 100.77 2yu0 n GLY 7 Ca -0.02 0.62 -0.35 0.00 0.00 0.00 0.00 46.02 46.27 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 1.21 -3.70 -0.61 -0.00 -1.26 -4.98 119.36 110.02 2yu0 n ILE 8 Ca 0.00 -0.38 -0.14 0.00 -0.00 0.00 0.00 62.75 62.23 2yu0 n ILE 8 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.55 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 -0.93 0.01 0.52 1.39 0.11 -1.26 -5.02 120.40 115.22 2yu0 s VAL 9 Ca 0.48 -0.06 0.41 0.00 -2.93 0.00 0.00 61.98 59.87 2yu0 s VAL 9 Cb -0.64 -0.71 0.62 0.00 -1.53 0.00 0.00 36.38 34.12 2yu0 s VAL 9 CO 0.44 -0.03 1.65 -0.07 -3.33 0.00 0.00 175.10 173.76 2yu0 h LEU 10 N 4.95 0.08 -0.16 2.54 3.38 -2.00 0.67 115.31 124.77 2yu0 h LEU 10 Ca -0.28 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2yu0 h LEU 10 Cb 1.17 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2yu0 h LEU 10 CO 0.24 -0.05 0.01 0.25 0.09 0.00 0.00 178.44 178.98 2yu0 h LEU 11 N 0.04 0.27 -1.65 1.67 7.12 -1.95 -2.72 115.31 118.08 2yu0 h LEU 11 Ca 0.81 -0.28 0.35 0.00 0.13 0.00 0.00 57.88 58.89 2yu0 h LEU 11 Cb 3.04 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 43.05 2yu0 h LEU 11 CO -0.13 0.49 1.07 -0.09 -0.13 0.00 0.00 178.44 179.64 2yu0 h ARG 12 N 0.05 0.00 -1.51 1.25 2.43 -0.03 -1.20 114.38 115.35 2yu0 h ARG 12 Ca 0.05 0.00 0.44 0.00 -0.81 0.00 0.00 59.98 59.66 2yu0 h ARG 12 Cb 0.34 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 2yu0 h ARG 12 CO 0.01 0.00 1.18 0.41 -1.51 0.00 0.00 179.97 180.05 2yu0 n GLY 13 N -1.75 -0.80 0.08 2.80 0.00 -1.03 0.96 105.19 105.46 2yu0 n GLY 13 Ca 0.27 0.53 -0.16 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.39 0.99 3.38 -1.47 -3.33 115.31 112.49 2yu0 h LEU 14 Ca 0.72 -0.81 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2yu0 h LEU 14 Cb 3.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.81 2yu0 h LEU 14 CO -0.01 1.15 0.10 -0.33 0.09 0.00 0.00 178.44 179.44 2yu0 h GLU 15 N -1.00 0.00 0.48 1.13 5.08 0.40 -2.77 114.58 117.91 2yu0 h GLU 15 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2yu0 h GLU 15 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2yu0 h GLU 15 CO -0.07 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.44 2yu0 s ILE 17 N -5.88 2.83 0.18 0.00 -4.36 -1.05 -5.01 121.20 107.90 2yu0 s ILE 17 Ca -0.18 0.27 -0.20 0.00 -0.26 0.00 0.00 60.65 60.28 2yu0 s ILE 17 Cb 0.05 -2.61 -0.08 0.00 1.25 0.00 0.00 42.46 41.07 2yu0 s ILE 17 CO 0.61 -0.35 0.68 0.21 0.24 0.00 0.00 174.94 176.33 2yu0 s ASN 18 N -3.16 7.07 0.25 4.36 3.84 -1.26 -4.83 114.94 121.21 2yu0 s ASN 18 Ca 0.63 1.37 0.10 0.00 0.21 0.00 0.00 52.86 55.18 2yu0 s ASN 18 Cb -0.19 -2.40 0.82 0.00 -0.55 0.00 0.00 41.25 38.93 2yu0 s ASN 18 CO 0.57 0.11 1.15 0.29 -2.79 0.00 0.00 177.10 176.43 2yu0 n LYS 19 N 1.04 -0.05 -0.19 0.43 4.76 -1.26 0.91 118.16 123.80 2yu0 n LYS 19 Ca -0.05 1.04 -0.05 0.00 -2.87 0.00 0.00 58.31 56.37 2yu0 n LYS 19 Cb 0.51 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 2yu0 n LYS 19 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2yu0 h HIS 20 N 0.00 -0.90 -0.15 2.13 2.76 -2.02 -0.83 115.15 116.15 2yu0 h HIS 20 Ca 0.55 0.07 -0.15 0.00 -2.20 0.00 0.00 60.37 58.64 2yu0 h HIS 20 Cb 1.37 0.48 0.01 0.00 1.55 0.00 0.00 27.41 30.81 2yu0 h HIS 20 CO -0.14 -0.38 -0.50 1.88 -1.30 0.00 0.00 177.93 177.49 2yu0 h TYR 21 N -0.17 0.78 -0.79 5.26 0.05 0.15 -3.27 116.97 118.98 2yu0 h TYR 21 Ca 0.22 -0.32 0.16 0.00 0.05 0.00 0.00 58.73 58.84 2yu0 h TYR 21 Cb 0.55 -0.13 -0.15 0.00 1.01 0.00 0.00 36.73 38.01 2yu0 h TYR 21 CO -0.62 1.10 -0.19 0.35 -1.05 0.00 0.00 178.16 177.75 2yu0 h PHE 22 N 0.24 -0.41 -0.77 4.88 3.57 -0.37 0.59 116.94 124.67 2yu0 h PHE 22 Ca -0.02 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.69 2yu0 h PHE 22 Cb 1.13 0.30 -0.14 0.00 2.79 0.00 0.00 35.95 40.03 2yu0 h PHE 22 CO 0.10 -0.34 -0.26 1.03 -2.23 0.00 0.00 178.31 176.61 2yu0 h SER 23 N 0.00 -0.96 -0.26 0.41 0.87 -1.24 0.10 113.55 112.48 2yu0 h SER 23 Ca 0.38 0.25 0.05 0.00 -1.23 0.00 0.00 61.79 61.24 2yu0 h SER 23 Cb 0.58 0.56 -0.05 0.00 -0.44 0.00 0.00 62.40 63.05 2yu0 h SER 23 CO -0.81 -0.28 -0.03 -0.07 -0.53 0.00 0.00 176.83 175.11 2yu0 h LEU 24 N -0.05 -0.17 -0.84 2.23 4.07 -1.04 -1.77 115.31 117.75 2yu0 h LEU 24 Ca 0.34 0.07 0.19 0.00 0.08 0.00 0.00 57.88 58.55 2yu0 h LEU 24 Cb 0.58 0.13 -0.11 0.00 1.08 0.00 0.00 40.66 42.34 2yu0 h LEU 24 CO -0.81 -0.05 0.33 0.15 -1.08 0.00 0.00 178.44 176.98 2yu0 h PHE 25 N 0.04 0.54 -0.25 1.13 3.57 -0.54 -0.15 116.94 121.28 2yu0 h PHE 25 Ca 0.13 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2yu0 h PHE 25 Cb 0.18 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2yu0 h PHE 25 CO -0.23 -0.02 0.10 0.87 -2.23 0.00 0.00 178.31 176.80 2yu0 h LYS 26 N 0.39 0.38 -0.90 1.11 1.57 -0.61 -0.72 116.57 117.79 2yu0 h LYS 26 Ca 0.50 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 59.33 2yu0 h LYS 26 Cb 0.87 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.05 2yu0 h LYS 26 CO -0.49 0.41 0.58 0.77 -0.57 0.00 0.00 179.45 180.15 2yu0 h SER 27 N 0.26 0.75 -0.02 0.86 0.02 -0.41 1.72 113.55 116.73 2yu0 h SER 27 Ca 0.08 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2yu0 h SER 27 Cb 0.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2yu0 h SER 27 CO -0.01 0.42 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.94 2yu0 h LEU 28 N 0.82 0.12 -0.28 5.07 3.38 -0.98 -3.17 115.31 120.26 2yu0 h LEU 28 Ca 0.44 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2yu0 h LEU 28 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2yu0 h LEU 28 CO -0.20 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.25 2yu0 n LEU 29 N -4.68 0.63 -0.30 1.67 7.99 -0.30 -3.69 117.00 118.32 2yu0 n LEU 29 Ca -0.09 0.60 0.09 0.00 -0.01 0.00 0.00 56.01 56.60 2yu0 n LEU 29 Cb 0.37 -0.45 0.21 0.00 -0.11 0.00 0.00 43.42 43.44 2yu0 n LEU 29 CO 0.36 -0.32 0.81 0.00 -1.51 0.00 0.00 177.39 176.73 2yu0 h ALA 30 N 2.46 0.94 0.58 -1.18 0.00 0.26 0.75 119.26 123.08 2yu0 h ALA 30 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2yu0 h ALA 30 Cb 0.53 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2yu0 h ALA 30 CO 0.00 -0.47 -0.46 0.07 0.00 0.00 0.00 179.25 178.39 2yu0 h ARG 31 N 0.07 -0.97 0.63 0.00 0.11 -1.76 2.01 114.38 114.47 2yu0 h ARG 31 Ca 0.49 0.07 -0.03 0.00 0.10 0.00 0.00 59.98 60.61 2yu0 h ARG 31 Cb 0.93 0.22 0.01 0.00 1.11 0.00 0.00 29.97 32.24 2yu0 h ARG 31 CO -0.78 -0.65 -0.30 -0.44 0.10 0.00 0.00 179.97 177.90 2yu0 h ASP 32 N -1.01 -0.71 0.06 0.08 5.19 -1.46 -2.71 116.42 115.85 2yu0 h ASP 32 Ca -0.08 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2yu0 h ASP 32 Cb 0.84 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2yu0 h ASP 32 CO 0.01 -0.47 0.00 -0.07 -3.12 0.00 0.00 179.24 175.59 2yu0 h LEU 33 N -0.92 0.00 0.47 1.55 3.38 0.40 -3.45 115.31 116.74 2yu0 h LEU 33 Ca -0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.54 2yu0 h LEU 33 Cb 0.64 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.46 2yu0 h LEU 33 CO 0.14 0.00 -0.53 -3.20 0.09 0.00 0.00 178.44 174.94 2yu0 n ASN 34 N -2.56 -5.54 -3.23 -0.43 5.15 0.66 -4.98 115.26 104.32 2yu0 n ASN 34 Ca -0.02 -0.29 -0.25 0.00 -0.60 0.00 0.00 54.58 53.43 2yu0 n ASN 34 Cb 0.06 -4.33 0.24 0.00 -0.53 0.00 0.00 39.78 35.22 2yu0 n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2yu0 n LEU 35 N -3.65 0.00 -4.09 1.20 4.77 0.08 -4.98 117.00 110.34 2yu0 n LEU 35 Ca -0.08 -0.72 -0.32 0.00 -0.03 0.00 0.00 56.01 54.86 2yu0 n LEU 35 Cb 0.59 -0.85 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 2yu0 n LEU 35 CO 0.43 -2.64 -0.45 -1.61 -1.33 0.00 0.00 177.39 171.79 2yu0 s GLU 36 N -4.59 2.30 0.42 3.23 2.02 -1.26 -4.92 118.70 115.90 2yu0 s GLU 36 Ca 0.55 -1.31 0.36 0.00 0.02 0.00 0.00 54.97 54.58 2yu0 s GLU 36 Cb -0.10 -2.91 1.35 0.00 0.10 0.00 0.00 34.13 32.57 2yu0 s GLU 36 CO 0.46 -0.56 1.28 2.89 0.02 0.00 0.00 175.26 179.35 2yu0 n ARG 37 N 4.46 -0.01 -0.09 1.61 1.85 -1.26 0.19 116.66 123.41 2yu0 n ARG 37 Ca -0.14 0.94 -0.18 0.00 -1.00 0.00 0.00 57.85 57.47 2yu0 n ARG 37 Cb 0.43 -2.05 -0.11 0.00 -1.05 0.00 0.00 32.46 29.68 2yu0 n ARG 37 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2yu0 h ASP 38 N 0.00 0.00 0.00 2.89 5.19 -2.04 -3.34 116.42 119.12 2yu0 h ASP 38 Ca 0.76 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2yu0 h ASP 38 Cb 2.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.33 2yu0 h ASP 38 CO -0.15 1.28 0.00 -3.20 -3.12 0.00 0.00 179.24 174.05 2yu0 n ASN 39 N -4.50 0.00 0.04 6.45 5.15 0.22 -2.87 115.26 119.74 2yu0 n ASN 39 Ca -0.24 -1.15 0.14 0.00 -0.60 0.00 0.00 54.58 52.73 2yu0 n ASN 39 Cb 0.58 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.34 2yu0 n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yu0 n GLN 40 N -0.77 0.10 0.02 1.20 6.02 0.50 -2.17 117.38 122.29 2yu0 n GLN 40 Ca 0.10 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.28 2yu0 n GLN 40 Cb 0.05 -1.61 0.03 0.00 1.02 0.00 0.00 30.24 29.73 2yu0 n GLN 40 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2yu0 n GLU 41 N -1.77 0.26 -0.13 -1.09 2.13 -1.14 -4.36 120.64 114.53 2yu0 n GLU 41 Ca 0.06 -0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.66 2yu0 n GLU 41 Cb 0.37 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.39 2yu0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yu0 n GLN 42 N -1.91 0.61 -1.54 5.31 10.64 -1.18 -4.98 117.38 124.33 2yu0 n GLN 42 Ca 0.02 0.19 -0.57 0.00 -1.83 0.00 0.00 57.00 54.81 2yu0 n GLN 42 Cb 0.43 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 28.24 2yu0 n GLN 42 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2yu0 n TYR 43 N -3.65 0.98 -3.65 2.61 4.01 -0.92 -4.94 117.16 111.59 2yu0 n TYR 43 Ca -0.49 0.93 -0.22 0.00 -0.16 0.00 0.00 57.90 57.97 2yu0 n TYR 43 Cb 0.94 -2.17 -0.01 0.00 -0.31 0.00 0.00 39.34 37.78 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 0.38 5.03 0.63 -0.72 -4.23 -1.26 -4.91 115.64 110.55 2yu0 s THR 44 Ca 0.90 -0.77 0.23 0.00 -1.18 0.00 0.00 61.69 60.87 2yu0 s THR 44 Cb -1.19 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 69.14 2yu0 s THR 44 CO 0.56 -0.40 1.61 0.71 -0.54 0.00 0.00 174.62 176.55 2yu0 h THR 45 N 0.95 0.11 0.14 3.99 1.35 -1.96 -1.22 112.91 116.26 2yu0 h THR 45 Ca -0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 2yu0 h THR 45 Cb 1.23 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2yu0 h THR 45 CO 0.60 0.00 -0.06 0.40 -0.25 0.00 0.00 175.52 176.21 2yu0 h ILE 46 N 0.00 0.00 -0.55 6.82 1.08 -1.99 -2.78 117.51 120.10 2yu0 h ILE 46 Ca 0.16 -0.65 0.11 0.00 -0.39 0.00 0.00 64.86 64.09 2yu0 h ILE 46 Cb 1.53 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 35.17 2yu0 h ILE 46 CO -0.00 0.00 -0.18 1.56 -0.69 0.00 0.00 178.15 178.84 2yu0 h GLN 47 N -0.83 -0.04 -0.73 2.37 4.20 -1.63 0.18 115.11 118.61 2yu0 h GLN 47 Ca -0.02 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.74 2yu0 h GLN 47 Cb 0.14 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 2yu0 h GLN 47 CO 0.03 -0.03 0.48 0.82 -0.67 0.00 0.00 178.83 179.46 2yu0 h ILE 48 N -0.05 1.07 -0.62 2.54 1.08 -1.53 -1.48 117.51 118.52 2yu0 h ILE 48 Ca 0.26 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 2yu0 h ILE 48 Cb 0.45 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 2yu0 h ILE 48 CO -0.59 0.15 0.26 0.00 -0.69 0.00 0.00 178.15 177.28 2yu0 h ALA 49 N 1.59 1.29 0.30 1.87 0.00 -0.38 -2.73 119.26 121.18 2yu0 h ALA 49 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2yu0 h ALA 49 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2yu0 h ALA 49 CO -0.09 0.53 -0.14 -0.91 0.00 0.00 0.00 179.25 178.64 2yu0 h ASN 50 N 0.89 -0.34 0.16 0.00 2.35 -0.41 0.49 115.58 118.72 2yu0 h ASN 50 Ca 0.21 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2yu0 h ASN 50 Cb 0.16 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2yu0 h ASN 50 CO -0.02 -0.20 -0.39 0.24 -1.65 0.00 0.00 177.43 175.41 2yu0 h MET 51 N -0.44 -0.58 -0.88 0.81 2.86 -1.38 -2.08 114.93 113.24 2yu0 h MET 51 Ca -0.04 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 2yu0 h MET 51 Cb 0.33 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 2yu0 h MET 51 CO 0.07 -0.39 0.49 0.52 1.06 0.00 0.00 176.91 178.66 2yu0 h MET 52 N -0.60 0.69 -0.97 1.72 2.86 -1.51 0.73 114.93 117.84 2yu0 h MET 52 Ca -0.02 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.78 2yu0 h MET 52 Cb 0.58 -0.16 -0.09 0.00 0.06 0.00 0.00 31.60 32.00 2yu0 h MET 52 CO -0.17 0.46 0.62 0.93 1.06 0.00 0.00 176.91 179.80 2yu0 h GLU 53 N 0.71 0.57 0.13 1.72 4.39 -0.24 0.88 114.58 122.75 2yu0 h GLU 53 Ca 0.47 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.87 2yu0 h GLU 53 Cb 0.62 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2yu0 h GLU 53 CO -0.34 0.38 -1.30 0.93 -1.16 0.00 0.00 179.01 177.53 2yu0 h GLU 54 N 0.59 0.28 0.47 2.33 5.08 -0.35 -3.29 114.58 119.69 2yu0 h GLU 54 Ca 0.53 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2yu0 h GLU 54 Cb 1.06 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2yu0 h GLU 54 CO -0.29 1.23 -0.48 0.87 -1.00 0.00 0.00 179.01 179.35 2yu0 h LYS 55 N -0.27 -0.91 -3.37 2.33 1.79 -0.14 -3.33 116.57 112.68 2yu0 h LYS 55 Ca -0.27 0.06 -0.69 0.00 -2.18 0.00 0.00 60.65 57.57 2yu0 h LYS 55 Cb 1.78 0.21 -0.36 0.00 -1.58 0.00 0.00 32.23 32.27 2yu0 h LYS 55 CO 0.10 -0.61 -0.23 -0.06 -1.08 0.00 0.00 179.45 177.57 2yu0 s PHE 56 N -5.65 3.70 -2.00 -1.35 0.08 0.23 -4.89 117.98 108.10 2yu0 s PHE 56 Ca -0.17 -2.97 0.15 0.00 0.12 0.00 0.00 56.93 54.06 2yu0 s PHE 56 Cb 0.04 -3.17 0.87 0.00 -0.57 0.00 0.00 43.02 40.19 2yu0 s PHE 56 CO 0.56 -0.75 1.28 -0.35 -0.10 0.00 0.00 175.22 175.87 2yu0 n PRO 57 N 2.65 0.49 -0.08 0.24 -0.04 -1.24 0.13 135.00 137.14 2yu0 n PRO 57 Ca 0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2yu0 n PRO 57 Cb 0.37 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.91 0.12 0.00 0.55 0.00 -1.90 -3.42 119.26 117.52 2yu0 h ALA 58 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2yu0 h ALA 58 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2yu0 h ALA 58 CO 0.00 0.52 -0.66 -0.40 0.00 0.00 0.00 179.25 178.71 2yu0 n ASP 59 N -4.55 0.89 -2.38 0.00 5.68 -1.19 -5.00 116.55 110.00 2yu0 n ASP 59 Ca -0.18 -0.60 -0.19 0.00 -0.50 0.00 0.00 54.79 53.32 2yu0 n ASP 59 Cb 0.44 1.09 0.01 0.00 -1.14 0.00 0.00 41.12 41.52 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2yu0 n SER 60 N -1.35 -5.58 0.00 -1.12 7.64 0.34 -1.24 113.62 112.31 2yu0 n SER 60 Ca 0.01 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2yu0 n SER 60 Cb 0.18 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 2yu0 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 61 N -1.18 2.45 0.35 0.23 0.00 -1.25 -4.41 105.19 101.37 2yu0 n GLY 61 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.79 0.99 0.99 5.85 -1.51 -0.57 115.31 120.27 2yu0 h LEU 62 Ca 0.00 0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 2yu0 h LEU 62 Cb 0.00 0.57 0.01 0.00 0.37 0.00 0.00 40.66 41.61 2yu0 h LEU 62 CO 0.00 -0.33 -0.47 1.23 -0.34 0.00 0.00 178.44 178.53 2yu0 h GLY 63 N 0.00 -1.38 -0.70 3.75 0.00 -1.91 -0.74 103.07 102.09 2yu0 h GLY 63 Ca 0.50 0.51 0.36 0.00 0.00 0.00 0.00 47.33 48.71 2yu0 h GLY 63 CO -0.98 -0.50 0.76 1.70 0.00 0.00 0.00 176.54 177.51 2yu0 h LYS 64 N -1.33 0.21 0.14 4.80 1.63 -1.57 0.55 116.57 121.00 2yu0 h LYS 64 Ca -0.14 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 2yu0 h LYS 64 Cb 1.02 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2yu0 h LYS 64 CO 0.22 0.14 -0.07 1.25 -3.45 0.00 0.00 179.45 177.54 2yu0 h LEU 65 N 0.21 -0.16 -0.47 5.20 7.12 -0.87 -2.97 115.31 123.37 2yu0 h LEU 65 Ca 0.73 -0.38 0.07 0.00 0.13 0.00 0.00 57.88 58.43 2yu0 h LEU 65 Cb 2.11 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 42.19 2yu0 h LEU 65 CO -0.39 0.37 -0.49 0.40 -0.13 0.00 0.00 178.44 178.20 2yu0 h ILE 66 N -0.78 0.06 -0.75 4.05 2.04 0.61 0.52 117.51 123.26 2yu0 h ILE 66 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 2yu0 h ILE 66 Cb 0.53 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 2yu0 h ILE 66 CO 0.03 0.00 0.29 -0.33 0.00 0.00 0.00 178.15 178.14 2yu0 h GLU 67 N -0.32 0.41 -0.10 2.37 5.08 -1.47 0.35 114.58 120.90 2yu0 h GLU 67 Ca 0.13 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2yu0 h GLU 67 Cb 0.58 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2yu0 h GLU 67 CO -0.63 0.27 0.09 0.35 -1.00 0.00 0.00 179.01 178.09 2yu0 h PHE 68 N 0.42 0.00 0.00 4.33 3.57 -0.76 0.92 116.94 125.42 2yu0 h PHE 68 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2yu0 h PHE 68 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2yu0 h PHE 68 CO -0.18 0.00 -0.36 0.00 -2.23 0.00 0.00 178.31 175.55 2yu0 h GLU 70 N 0.00 0.41 0.00 0.00 5.08 0.06 1.87 114.58 122.01 2yu0 h GLU 70 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2yu0 h GLU 70 Cb 0.98 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2yu0 h GLU 70 CO 0.00 1.29 0.00 -0.85 -1.00 0.00 0.00 179.01 178.45 2yu0 n GLU 71 N -3.65 0.09 -4.78 2.33 0.28 -0.87 -4.55 120.64 109.49 2yu0 n GLU 71 Ca -0.11 0.50 -0.33 0.00 -0.16 0.00 0.00 57.16 57.05 2yu0 n GLU 71 Cb 1.02 -1.73 -0.13 0.00 1.43 0.00 0.00 31.44 32.02 2yu0 n GLU 71 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2yu0 s VAL 72 N -3.26 3.21 -0.62 3.84 1.01 -1.20 -5.00 120.40 118.38 2yu0 s VAL 72 Ca 0.01 -0.64 0.21 0.00 0.00 0.00 0.00 61.98 61.56 2yu0 s VAL 72 Cb 0.05 -2.31 0.21 0.00 0.00 0.00 0.00 36.38 34.34 2yu0 s VAL 72 CO 0.19 0.56 1.64 -0.81 0.00 0.00 0.00 175.10 176.68 2yu0 n PRO 73 N 2.80 0.14 -0.07 2.72 -0.04 -1.26 -0.49 135.00 138.80 2yu0 n PRO 73 Ca -0.18 0.38 -0.04 0.00 -0.04 0.00 0.00 63.50 63.62 2yu0 n PRO 73 Cb 0.52 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.70 1.87 0.05 0.55 0.00 -1.26 -4.41 120.51 115.61 2yu0 n ALA 74 Ca 0.02 -1.05 0.04 0.00 0.00 0.00 0.00 53.44 52.46 2yu0 n ALA 74 Cb 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.57 0.76 -0.27 0.00 4.77 -1.08 -4.06 117.00 114.54 2yu0 n LEU 75 Ca -0.24 0.32 0.33 0.00 -0.03 0.00 0.00 56.01 56.40 2yu0 n LEU 75 Cb 0.96 0.04 0.74 0.00 -2.33 0.00 0.00 43.42 42.83 2yu0 n LEU 75 CO 0.41 0.04 1.30 0.03 -1.33 0.00 0.00 177.39 177.85 2yu0 h ARG 76 N 0.00 0.00 0.11 3.23 3.08 0.56 0.74 114.38 122.10 2yu0 h ARG 76 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2yu0 h ARG 76 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2yu0 h ARG 76 CO 0.03 0.00 -0.05 -0.22 -1.07 0.00 0.00 179.97 178.65 2yu0 h LYS 77 N 0.00 -0.14 -0.64 0.04 1.63 -1.81 -2.64 116.57 113.01 2yu0 h LYS 77 Ca 0.52 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.27 2yu0 h LYS 77 Cb 2.13 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.76 2yu0 h LYS 77 CO -0.01 0.06 0.17 0.00 -3.45 0.00 0.00 179.45 176.23 2yu0 h ARG 78 N -0.33 0.99 0.15 1.90 2.47 -1.14 -2.98 114.38 115.45 2yu0 h ARG 78 Ca -0.02 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2yu0 h ARG 78 Cb 0.27 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2yu0 h ARG 78 CO 0.02 0.87 -0.24 0.00 0.56 0.00 0.00 179.97 181.18 2yu0 h ALA 79 N 1.23 -0.86 -1.13 0.04 0.00 -1.23 0.13 119.26 117.45 2yu0 h ALA 79 Ca 0.20 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.36 2yu0 h ALA 79 Cb 0.31 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2yu0 h ALA 79 CO -0.00 -0.89 0.78 1.05 0.00 0.00 0.00 179.25 180.18 2yu0 h GLU 80 N -0.42 0.15 -0.16 0.00 4.11 -1.49 0.20 114.58 116.97 2yu0 h GLU 80 Ca -0.02 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 2yu0 h GLU 80 Cb 0.38 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2yu0 h GLU 80 CO -0.08 0.10 -0.23 0.82 0.07 0.00 0.00 179.01 179.69 2yu0 h ILE 81 N 0.15 1.35 -0.70 -1.06 2.04 -1.14 -2.89 117.51 115.26 2yu0 h ILE 81 Ca 0.59 -1.45 0.06 0.00 1.00 0.00 0.00 64.86 65.05 2yu0 h ILE 81 Cb 1.98 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 39.93 2yu0 h ILE 81 CO -0.14 0.43 0.46 -0.07 0.00 0.00 0.00 178.15 178.84 2yu0 h LEU 82 N 0.07 0.67 -0.97 1.44 3.38 0.21 -0.95 115.31 119.16 2yu0 h LEU 82 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2yu0 h LEU 82 Cb 0.80 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2yu0 h LEU 82 CO 0.05 0.44 -0.37 0.11 0.09 0.00 0.00 178.44 178.76 2yu0 h LYS 83 N 0.76 0.27 -0.63 1.13 1.57 -1.34 -0.79 116.57 117.54 2yu0 h LYS 83 Ca 0.30 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 2yu0 h LYS 83 Cb 0.21 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2yu0 h LYS 83 CO -0.09 0.61 0.42 -0.22 -0.57 0.00 0.00 179.45 179.60 2yu0 h LYS 84 N 0.23 0.55 0.00 3.15 3.64 -0.95 -1.96 116.57 121.23 2yu0 h LYS 84 Ca 0.02 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 2yu0 h LYS 84 Cb 0.77 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2yu0 h LYS 84 CO 0.06 0.36 -1.21 0.39 -2.27 0.00 0.00 179.45 176.79 2yu0 n GLU 85 N -4.48 0.55 -0.32 1.90 -0.58 -1.07 -4.29 120.64 112.35 2yu0 n GLU 85 Ca 0.10 0.57 0.13 0.00 -0.42 0.00 0.00 57.16 57.53 2yu0 n GLU 85 Cb 0.28 -1.74 0.28 0.00 -0.57 0.00 0.00 31.44 29.70 2yu0 n GLU 85 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2yu0 h ARG 86 N -1.00 0.06 -6.20 3.49 2.43 -1.06 -3.38 114.38 108.72 2yu0 h ARG 86 Ca -0.32 -0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.16 2yu0 h ARG 86 Cb 1.22 -0.01 -0.27 0.00 -0.42 0.00 0.00 29.97 30.49 2yu0 h ARG 86 CO -0.19 0.04 -0.81 -1.12 -1.51 0.00 0.00 179.97 176.37 2yu0 s SER 87 N -5.04 3.65 -0.27 -3.80 0.01 -0.75 -5.03 113.70 102.48 2yu0 s SER 87 Ca -0.13 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 56.67 2yu0 s SER 87 Cb 0.28 -0.84 -0.11 0.00 0.21 0.00 0.00 66.02 65.56 2yu0 s SER 87 CO 0.77 0.30 -0.35 -1.84 0.41 0.00 0.00 173.24 172.53 2yu0 n GLU 88 N 2.60 0.57 -0.07 12.44 0.28 -1.26 -4.62 120.64 130.57 2yu0 n GLU 88 Ca -0.17 0.25 -0.10 0.00 -0.16 0.00 0.00 57.16 56.98 2yu0 n GLU 88 Cb 0.52 -1.46 -0.07 0.00 1.43 0.00 0.00 31.44 31.86 2yu0 n GLU 88 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2yu0 n SER 89 N -4.22 2.74 -4.36 -1.84 7.64 -1.26 -5.03 113.62 107.29 2yu0 n SER 89 Ca -0.52 -0.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.88 2yu0 n SER 89 Cb 0.86 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.94 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 90 N 2.72 -2.29 0.00 0.23 0.00 -1.26 -4.79 105.19 99.80 2yu0 n GLY 90 Ca -0.26 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 45.81 2yu0 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yu0 n PRO 91 N 0.99 0.24 -1.53 1.61 -0.04 -1.26 -4.75 135.00 130.27 2yu0 n PRO 91 Ca 0.11 0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.31 2yu0 n PRO 91 Cb 0.41 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2yu0 n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu0 n SER 92 N -1.25 1.91 -4.33 3.54 2.88 -1.26 -4.90 113.62 110.21 2yu0 n SER 92 Ca 0.08 -0.27 -0.17 0.00 -1.33 0.00 0.00 58.87 57.18 2yu0 n SER 92 Cb 0.11 -1.42 -0.10 0.00 -0.75 0.00 0.00 64.21 62.05 2yu0 n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yu0 s SER 93 N 11.05 1.95 0.00 -3.46 0.01 -1.26 -4.74 113.70 117.24 2yu0 s SER 93 Ca 1.07 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2yu0 s SER 93 Cb -0.46 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2yu0 s SER 93 CO 0.33 -0.46 0.15 0.61 0.41 0.00 0.00 173.24 174.28