#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuj s SER 2 N 0.00 2.87 0.00 1.61 0.01 -1.26 -5.08 113.70 111.85 2yuj s SER 2 Ca 0.00 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.69 2yuj s SER 2 Cb 0.00 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2yuj s SER 2 CO 0.00 -0.80 0.00 -1.54 0.41 0.00 0.00 173.24 171.31 2yuj n SER 3 N -1.09 0.57 -2.73 2.44 3.41 -1.26 -4.99 113.62 109.97 2yuj n SER 3 Ca -0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.46 2yuj n SER 3 Cb 0.66 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.71 2yuj n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuj n GLY 4 N 2.16 1.12 2.97 5.00 0.00 -1.26 -5.13 105.19 110.05 2yuj n GLY 4 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 2yuj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuj s SER 5 N -1.35 0.65 0.17 1.61 1.04 -1.26 -5.16 113.70 109.41 2yuj s SER 5 Ca 0.23 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.37 2yuj s SER 5 Cb 0.36 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2yuj s SER 5 CO -0.07 0.04 0.43 -0.44 0.98 0.00 0.00 173.24 174.18 2yuj s SER 6 N -0.27 -0.16 0.00 7.02 0.01 -1.26 -5.05 113.70 113.98 2yuj s SER 6 Ca 0.01 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2yuj s SER 6 Cb -0.03 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2yuj s SER 6 CO -0.00 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2yuj n GLY 7 N -0.27 3.88 2.54 3.44 0.00 -1.26 -5.11 105.19 108.39 2yuj n GLY 7 Ca -0.11 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 2yuj n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yuj s ILE 8 N -1.94 0.16 0.00 -0.61 1.01 -1.26 -5.12 121.20 113.45 2yuj s ILE 8 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.09 2yuj s ILE 8 Cb 0.00 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 2yuj s ILE 8 CO 0.00 -0.83 1.55 -2.16 0.00 0.00 0.00 174.94 173.50 2yuj s PRO 9 N 1.59 4.22 -0.27 2.79 0.04 -1.26 -4.22 135.00 137.89 2yuj s PRO 9 Ca 0.13 2.14 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2yuj s PRO 9 Cb -0.19 -3.70 0.01 0.00 0.04 0.00 0.00 34.50 30.66 2yuj s PRO 9 CO -0.20 -0.71 0.06 -2.13 0.04 0.00 0.00 177.00 174.06 2yuj n ARG 10 N 5.99 -3.66 -3.05 4.56 0.63 -1.26 -4.89 116.66 114.97 2yuj n ARG 10 Ca 0.15 2.89 -0.44 0.00 -0.92 0.00 0.00 57.85 59.52 2yuj n ARG 10 Cb 0.42 -5.18 -0.01 0.00 0.45 0.00 0.00 32.46 28.14 2yuj n ARG 10 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2yuj s VAL 11 N -1.36 5.18 -0.17 5.15 1.01 -1.26 -4.75 120.40 124.21 2yuj s VAL 11 Ca -0.07 -2.47 -0.11 0.00 0.00 0.00 0.00 61.98 59.33 2yuj s VAL 11 Cb 0.00 -4.77 0.04 0.00 0.00 0.00 0.00 36.38 31.65 2yuj s VAL 11 CO 0.76 -1.45 0.23 0.33 0.00 0.00 0.00 175.10 174.97 2yuj n PHE 12 N 5.20 -4.34 -1.42 5.22 7.35 -1.26 -4.88 117.46 123.34 2yuj n PHE 12 Ca 0.28 2.53 0.19 0.00 -0.76 0.00 0.00 57.45 59.69 2yuj n PHE 12 Cb 0.44 -3.82 -0.05 0.00 0.35 0.00 0.00 39.48 36.40 2yuj n PHE 12 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2yuj n GLN 13 N 1.64 -2.89 -2.39 -4.13 3.00 -1.26 -4.61 117.38 106.73 2yuj n GLN 13 Ca -0.39 1.97 -0.21 0.00 -0.01 0.00 0.00 57.00 58.36 2yuj n GLN 13 Cb 0.60 -3.52 0.01 0.00 0.00 0.00 0.00 30.24 27.34 2yuj n GLN 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2yuj n ASN 14 N -4.32 4.07 -3.85 1.08 5.03 -1.26 -4.92 115.26 111.09 2yuj n ASN 14 Ca -0.00 -3.45 -0.12 0.00 0.87 0.00 0.00 54.58 51.88 2yuj n ASN 14 Cb 0.67 -0.43 -0.14 0.00 -1.02 0.00 0.00 39.78 38.86 2yuj n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2yuj s ARG 15 N -3.53 0.03 -0.58 3.52 1.81 -1.26 -4.87 118.95 114.07 2yuj s ARG 15 Ca 0.44 0.06 -0.28 0.00 -1.72 0.00 0.00 55.73 54.23 2yuj s ARG 15 Cb 0.40 -0.00 0.02 0.00 -0.45 0.00 0.00 34.95 34.92 2yuj s ARG 15 CO -0.07 -0.02 1.39 0.12 -0.68 0.00 0.00 175.30 176.03 2yuj s PHE 16 N 0.10 2.31 -0.33 -0.53 2.19 -1.26 -4.94 117.98 115.52 2yuj s PHE 16 Ca -0.01 0.43 -0.01 0.00 0.33 0.00 0.00 56.93 57.67 2yuj s PHE 16 Cb -0.01 -4.42 0.12 0.00 -1.31 0.00 0.00 43.02 37.40 2yuj s PHE 16 CO -0.00 -1.94 0.17 -1.54 1.83 0.00 0.00 175.22 173.74 2yuj s SER 17 N 4.26 3.39 0.33 6.13 1.04 -1.21 -1.89 113.70 125.75 2yuj s SER 17 Ca 0.50 -1.83 -0.15 0.00 0.48 0.00 0.00 55.95 54.95 2yuj s SER 17 Cb -0.10 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.53 2yuj s SER 17 CO 0.24 -0.37 0.67 0.28 0.98 0.00 0.00 173.24 175.05 2yuj s THR 18 N 1.44 0.00 0.12 2.02 -1.32 -1.09 -4.95 115.64 111.86 2yuj s THR 18 Ca 0.14 -1.16 0.03 0.00 -1.21 0.00 0.00 61.69 59.49 2yuj s THR 18 Cb -0.20 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2yuj s THR 18 CO -0.16 0.00 0.19 -1.10 -2.21 0.00 0.00 174.62 171.33 2yuj s GLN 19 N -3.14 3.18 -0.03 7.08 -0.21 -1.26 0.40 119.66 125.69 2yuj s GLN 19 Ca 0.18 -0.65 -0.10 0.00 0.02 0.00 0.00 55.36 54.80 2yuj s GLN 19 Cb -0.04 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.14 2yuj s GLN 19 CO 0.11 0.54 0.23 0.71 -2.12 0.00 0.00 175.29 174.76 2yuj s TYR 20 N -1.62 -0.12 0.18 0.91 2.02 -1.19 -4.90 117.35 112.62 2yuj s TYR 20 Ca 0.33 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.95 2yuj s TYR 20 Cb -0.11 0.04 -0.08 0.00 -0.40 0.00 0.00 41.96 41.41 2yuj s TYR 20 CO 0.26 -0.28 1.13 1.03 -1.57 0.00 0.00 175.55 176.12 2yuj s ARG 21 N -0.95 4.56 -0.15 -0.62 0.52 -1.26 -2.83 118.95 118.22 2yuj s ARG 21 Ca -0.10 1.76 -0.12 0.00 -0.52 0.00 0.00 55.73 56.75 2yuj s ARG 21 Cb -0.05 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2yuj s ARG 21 CO 0.02 0.02 0.25 0.00 0.02 0.00 0.00 175.30 175.61 2yuj s PHE 23 N 0.10 0.18 0.64 0.00 0.08 -0.24 -0.08 117.98 118.66 2yuj s PHE 23 Ca 0.15 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 2yuj s PHE 23 Cb -0.13 -0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.20 2yuj s PHE 23 CO 0.03 -0.47 1.02 -1.12 -0.10 0.00 0.00 175.22 174.59 2yuj s SER 24 N -2.56 5.92 0.38 1.36 0.01 -1.26 0.49 113.70 118.04 2yuj s SER 24 Ca 0.01 1.23 0.10 0.00 1.31 0.00 0.00 55.95 58.61 2yuj s SER 24 Cb 0.03 -2.21 0.76 0.00 0.21 0.00 0.00 66.02 64.81 2yuj s SER 24 CO -0.08 -1.02 1.88 -0.37 0.41 0.00 0.00 173.24 174.06 2yuj h VAL 25 N -0.38 1.20 -0.17 3.43 -1.51 -1.84 -2.46 116.25 114.53 2yuj h VAL 25 Ca -0.45 -0.95 -0.00 0.00 -1.23 0.00 0.00 66.70 64.08 2yuj h VAL 25 Cb 1.22 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2yuj h VAL 25 CO 0.63 0.28 0.10 0.28 -1.23 0.00 0.00 177.57 177.63 2yuj h SER 26 N 0.15 0.20 0.28 4.19 0.02 -1.79 -0.88 113.55 115.72 2yuj h SER 26 Ca 0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2yuj h SER 26 Cb 0.48 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2yuj h SER 26 CO 0.03 0.15 -0.16 0.24 -1.14 0.00 0.00 176.83 175.95 2yuj h MET 27 N 0.23 0.00 0.45 3.45 2.07 -1.72 -3.18 114.93 116.23 2yuj h MET 27 Ca 0.06 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.67 2yuj h MET 27 Cb -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 2yuj h MET 27 CO -0.01 0.16 -0.33 1.25 1.07 0.00 0.00 176.91 179.05 2yuj h LEU 28 N 0.00 -0.86 0.00 1.22 5.85 -1.26 -3.47 115.31 116.79 2yuj h LEU 28 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2yuj h LEU 28 Cb 0.34 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2yuj h LEU 28 CO 0.02 -0.48 0.00 0.00 -0.34 0.00 0.00 178.44 177.65 2yuj n ALA 29 N -2.56 0.00 -2.83 1.25 0.00 -1.20 -5.14 120.51 110.02 2yuj n ALA 29 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2yuj n ALA 29 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 2yuj n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2yuj s GLY 30 N -2.00 2.21 0.04 0.00 0.00 -1.26 -5.02 107.32 101.29 2yuj s GLY 30 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.79 2yuj s GLY 30 CO 0.00 -0.70 1.31 -0.56 0.00 0.00 0.00 173.10 173.16 2yuj h PRO 31 N 3.02 0.42 -3.97 2.90 0.13 -1.88 -3.34 132.00 129.27 2yuj h PRO 31 Ca -0.45 -0.25 -0.42 0.00 -0.87 0.00 0.00 66.00 64.01 2yuj h PRO 31 Cb 1.16 0.02 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2yuj h PRO 31 CO 0.75 0.84 -0.77 -0.80 -0.23 0.00 0.00 178.00 177.78 2yuj s ASN 32 N -6.29 1.10 -0.14 1.44 -0.87 -1.26 -4.48 114.94 104.44 2yuj s ASN 32 Ca -0.14 -0.13 -0.04 0.00 -1.57 0.00 0.00 52.86 50.99 2yuj s ASN 32 Cb 0.05 -0.46 0.06 0.00 -0.02 0.00 0.00 41.25 40.89 2yuj s ASN 32 CO 0.78 -0.08 0.16 -0.62 -2.57 0.00 0.00 177.10 174.76 2yuj s ASP 33 N 1.12 1.36 0.51 -1.22 2.15 -1.26 -5.11 116.67 114.23 2yuj s ASP 33 Ca -0.08 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.81 2yuj s ASP 33 Cb -0.14 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 2yuj s ASP 33 CO -0.01 -0.30 0.00 0.54 -0.17 0.00 0.00 175.17 175.23 2yuj n ARG 34 N 5.31 -3.19 -0.88 4.34 5.12 -1.26 -4.48 116.66 121.62 2yuj n ARG 34 Ca -0.05 2.42 -0.06 0.00 -1.93 0.00 0.00 57.85 58.23 2yuj n ARG 34 Cb 0.50 -3.79 0.19 0.00 -1.16 0.00 0.00 32.46 28.20 2yuj n ARG 34 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2yuj n SER 35 N -4.33 2.63 -0.02 0.55 7.64 -1.26 -4.52 113.62 114.31 2yuj n SER 35 Ca -0.05 -3.80 -0.03 0.00 1.01 0.00 0.00 58.87 56.01 2yuj n SER 35 Cb 0.68 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 2yuj n SER 35 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yuj n ASP 36 N -1.12 3.76 0.27 6.43 8.00 -1.26 -4.10 116.55 128.53 2yuj n ASP 36 Ca 0.35 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.68 2yuj n ASP 36 Cb 1.05 0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 42.42 2yuj n ASP 36 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2yuj h VAL 37 N 0.00 0.29 0.06 2.53 2.07 -1.79 -3.11 116.25 116.29 2yuj h VAL 37 Ca -0.12 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.15 2yuj h VAL 37 Cb 1.25 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2yuj h VAL 37 CO -0.00 0.00 -1.07 -0.33 0.02 0.00 0.00 177.57 176.18 2yuj h GLU 38 N -0.79 0.31 -6.20 1.57 5.08 -1.85 -3.42 114.58 109.28 2yuj h GLU 38 Ca -0.04 -0.42 -0.56 0.00 -1.00 0.00 0.00 59.36 57.34 2yuj h GLU 38 Cb 0.68 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 2yuj h GLU 38 CO -0.00 1.14 0.95 0.15 -1.00 0.00 0.00 179.01 180.25 2yuj s LYS 39 N -2.97 3.20 0.00 2.33 1.02 -1.18 -4.80 119.74 117.35 2yuj s LYS 39 Ca -0.04 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.64 2yuj s LYS 39 Cb 0.08 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 2yuj s LYS 39 CO 0.87 -2.04 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 2yuj n GLY 40 N 5.34 0.62 2.58 -3.33 0.00 -1.26 -4.57 105.19 104.57 2yuj n GLY 40 Ca 0.02 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2yuj n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuj n GLY 41 N 0.00 1.82 3.56 -0.02 0.00 -1.24 -4.75 105.19 104.56 2yuj n GLY 41 Ca 0.00 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 2yuj n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuj s LYS 42 N -2.09 1.98 0.32 1.61 3.01 -1.26 -2.71 119.74 120.60 2yuj s LYS 42 Ca 0.28 -1.63 -0.00 0.00 -1.01 0.00 0.00 55.97 53.61 2yuj s LYS 42 Cb 0.41 -1.94 -0.01 0.00 -1.01 0.00 0.00 37.83 35.28 2yuj s LYS 42 CO -0.02 0.31 0.40 0.96 0.51 0.00 0.00 175.35 177.51 2yuj s ILE 43 N -2.44 0.00 -0.03 2.17 -4.36 -1.04 -4.52 121.20 110.97 2yuj s ILE 43 Ca 0.31 -1.73 0.06 0.00 -0.26 0.00 0.00 60.65 59.04 2yuj s ILE 43 Cb -0.05 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 2yuj s ILE 43 CO 0.17 0.00 -0.22 -0.63 0.24 0.00 0.00 174.94 174.51 2yuj s ILE 44 N -3.30 1.76 0.15 8.37 1.01 -0.82 -1.57 121.20 126.80 2yuj s ILE 44 Ca 0.33 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2yuj s ILE 44 Cb 0.01 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2yuj s ILE 44 CO 0.21 0.50 -0.10 -0.04 0.00 0.00 0.00 174.94 175.50 2yuj s MET 45 N -0.32 1.08 1.00 2.79 -1.94 -1.18 -2.57 119.30 118.17 2yuj s MET 45 Ca 0.03 -1.46 -0.15 0.00 -1.71 0.00 0.00 55.69 52.40 2yuj s MET 45 Cb -0.10 -0.66 0.03 0.00 2.01 0.00 0.00 34.83 36.10 2yuj s MET 45 CO 0.01 0.08 0.11 -2.30 -0.01 0.00 0.00 175.02 172.91 2yuj n PRO 46 N -0.21 -0.57 0.06 2.03 -0.02 -1.26 -2.90 135.00 132.13 2yuj n PRO 46 Ca -0.10 -0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.22 2yuj n PRO 46 Cb 0.61 -1.70 0.21 0.00 -0.02 0.00 0.00 33.50 32.60 2yuj n PRO 46 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2yuj h PRO 47 N -1.61 0.35 -0.45 0.52 0.13 -1.80 -2.94 132.00 126.21 2yuj h PRO 47 Ca -0.46 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2yuj h PRO 47 Cb 1.31 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2yuj h PRO 47 CO 0.34 0.66 0.28 0.66 -0.23 0.00 0.00 178.00 179.70 2yuj h SER 48 N 0.30 0.53 -0.95 1.44 4.64 -1.94 -2.07 113.55 115.49 2yuj h SER 48 Ca 0.04 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2yuj h SER 48 Cb 0.76 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.67 2yuj h SER 48 CO 0.06 0.40 0.61 0.00 -0.87 0.00 0.00 176.83 177.03 2yuj h ALA 49 N 1.69 1.28 -0.53 5.18 0.00 -1.86 0.36 119.26 125.39 2yuj h ALA 49 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2yuj h ALA 49 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2yuj h ALA 49 CO -0.03 0.65 0.15 1.25 0.00 0.00 0.00 179.25 181.26 2yuj h LEU 50 N 1.30 0.79 -0.44 0.00 5.85 -1.47 0.73 115.31 122.05 2yuj h LEU 50 Ca 0.35 -0.22 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2yuj h LEU 50 Cb -0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 2yuj h LEU 50 CO -0.07 0.80 -0.78 0.44 -0.34 0.00 0.00 178.44 178.49 2yuj h ASP 51 N 0.74 0.06 0.18 1.25 5.19 -1.29 -3.15 116.42 119.39 2yuj h ASP 51 Ca 0.17 -0.05 -0.27 0.00 -0.62 0.00 0.00 57.03 56.26 2yuj h ASP 51 Cb 0.30 -0.02 0.03 0.00 0.18 0.00 0.00 39.33 39.82 2yuj h ASP 51 CO -0.00 0.81 -1.17 -0.61 -3.12 0.00 0.00 179.24 175.15 2yuj h GLN 52 N 0.03 0.47 -0.35 3.56 4.15 -0.05 -2.64 115.11 120.28 2yuj h GLN 52 Ca -0.01 -0.75 0.07 0.00 0.77 0.00 0.00 58.65 58.72 2yuj h GLN 52 Cb 1.37 0.27 -0.06 0.00 0.21 0.00 0.00 27.48 29.27 2yuj h GLN 52 CO 0.11 1.35 -0.05 -0.07 -1.93 0.00 0.00 178.83 178.23 2yuj h LEU 53 N -0.01 -0.26 -0.83 -2.39 3.38 0.41 0.25 115.31 115.86 2yuj h LEU 53 Ca -0.20 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2yuj h LEU 53 Cb 1.90 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 2yuj h LEU 53 CO 0.22 -0.09 -0.52 -1.28 0.09 0.00 0.00 178.44 176.86 2yuj h SER 54 N 0.03 0.00 1.07 -0.43 0.87 -1.66 -2.62 113.55 110.80 2yuj h SER 54 Ca 0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2yuj h SER 54 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2yuj h SER 54 CO -0.33 0.52 -0.07 0.03 -0.53 0.00 0.00 176.83 176.45 2yuj h ARG 55 N 0.00 0.00 -0.71 2.24 3.08 -0.82 -2.73 114.38 115.45 2yuj h ARG 55 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2yuj h ARG 55 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 2yuj h ARG 55 CO 0.07 0.07 0.01 1.28 -1.07 0.00 0.00 179.97 180.33 2yuj n LEU 56 N -3.19 4.39 -2.51 3.04 4.77 -0.05 -4.88 117.00 118.57 2yuj n LEU 56 Ca 0.01 -2.23 -0.21 0.00 -0.03 0.00 0.00 56.01 53.55 2yuj n LEU 56 Cb 0.36 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2yuj n LEU 56 CO 0.30 0.52 -0.22 0.59 -1.33 0.00 0.00 177.39 177.25 2yuj n ASN 57 N 0.42 -5.88 -4.66 -1.43 3.02 -1.03 -4.80 115.26 100.91 2yuj n ASN 57 Ca 0.20 -0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 2yuj n ASN 57 Cb 0.93 -4.87 -0.07 0.00 -0.61 0.00 0.00 39.78 35.16 2yuj n ASN 57 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2yuj s ILE 58 N -3.05 5.15 0.30 2.41 1.01 -1.01 -5.06 121.20 120.94 2yuj s ILE 58 Ca 0.05 0.82 0.09 0.00 0.00 0.00 0.00 60.65 61.61 2yuj s ILE 58 Cb -0.02 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2yuj s ILE 58 CO 0.06 0.21 0.08 -0.89 0.00 0.00 0.00 174.94 174.40 2yuj s THR 59 N 1.54 3.39 0.49 2.92 2.01 -1.26 -4.44 115.64 120.28 2yuj s THR 59 Ca 0.21 -1.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.21 2yuj s THR 59 Cb -0.15 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 2yuj s THR 59 CO 0.09 -0.29 1.39 0.00 -0.69 0.00 0.00 174.62 175.11 2yuj n TYR 60 N -1.03 2.49 -1.70 4.92 9.36 -1.26 -4.37 117.16 125.56 2yuj n TYR 60 Ca -0.05 0.44 -0.29 0.00 3.32 0.00 0.00 57.90 61.31 2yuj n TYR 60 Cb 0.60 -2.41 0.09 0.00 -0.63 0.00 0.00 39.34 36.99 2yuj n TYR 60 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2yuj s PRO 61 N -2.60 1.95 -0.51 2.98 0.04 -1.26 -5.14 135.00 130.46 2yuj s PRO 61 Ca 0.65 0.38 0.07 0.00 0.04 0.00 0.00 61.00 62.14 2yuj s PRO 61 Cb -0.44 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.45 2yuj s PRO 61 CO 0.54 -1.66 0.70 -1.33 0.04 0.00 0.00 177.00 175.30 2yuj n MET 62 N -3.41 1.84 -3.42 4.56 2.81 -1.26 -4.97 117.12 113.26 2yuj n MET 62 Ca 0.07 -4.05 -0.33 0.00 -1.81 0.00 0.00 57.70 51.58 2yuj n MET 62 Cb 0.58 -1.84 -0.05 0.00 -0.71 0.00 0.00 33.22 31.20 2yuj n MET 62 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2yuj s LEU 63 N -2.21 4.22 -0.09 4.03 1.43 -1.26 -3.45 118.68 121.34 2yuj s LEU 63 Ca 0.40 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 2yuj s LEU 63 Cb 0.21 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2yuj s LEU 63 CO -0.07 -0.02 -0.13 -0.36 0.23 0.00 0.00 176.35 176.00 2yuj s PHE 64 N -1.72 2.78 -1.00 0.29 0.08 0.10 -3.40 117.98 115.12 2yuj s PHE 64 Ca 0.44 -0.34 -0.21 0.00 0.12 0.00 0.00 56.93 56.94 2yuj s PHE 64 Cb -0.12 -1.73 0.08 0.00 -0.57 0.00 0.00 43.02 40.67 2yuj s PHE 64 CO 0.21 0.04 1.34 0.21 -0.10 0.00 0.00 175.22 176.91 2yuj s LYS 65 N -0.27 3.61 -1.03 0.44 2.20 -0.05 -2.57 119.74 122.08 2yuj s LYS 65 Ca 0.02 -1.39 -0.23 0.00 -0.36 0.00 0.00 55.97 54.02 2yuj s LYS 65 Cb -0.13 -5.20 -0.12 0.00 -1.51 0.00 0.00 37.83 30.87 2yuj s LYS 65 CO 0.03 -2.05 1.92 1.28 -0.36 0.00 0.00 175.35 176.17 2yuj n LEU 66 N 8.01 3.42 -4.54 5.43 4.77 -0.79 -4.06 117.00 129.24 2yuj n LEU 66 Ca 0.30 -3.06 -0.43 0.00 -0.03 0.00 0.00 56.01 52.79 2yuj n LEU 66 Cb 0.50 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.04 2yuj n LEU 66 CO 0.61 -1.30 0.64 -0.89 -1.33 0.00 0.00 177.39 175.12 2yuj s THR 67 N 8.80 4.57 -0.29 -5.08 2.01 -1.23 -3.21 115.64 121.20 2yuj s THR 67 Ca 0.64 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 2yuj s THR 67 Cb 0.05 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2yuj s THR 67 CO 0.13 -0.80 0.86 0.21 -0.69 0.00 0.00 174.62 174.33 2yuj s ASN 68 N 2.27 6.76 -0.50 3.53 3.84 -0.98 -3.62 114.94 126.24 2yuj s ASN 68 Ca 0.32 0.83 0.02 0.00 0.21 0.00 0.00 52.86 54.23 2yuj s ASN 68 Cb -0.12 -2.44 0.54 0.00 -0.55 0.00 0.00 41.25 38.68 2yuj s ASN 68 CO 0.23 -0.65 1.93 0.29 -2.79 0.00 0.00 177.10 176.11 2yuj n LYS 69 N 6.30 2.32 0.00 0.43 4.76 -1.26 -2.42 118.16 128.29 2yuj n LYS 69 Ca 0.06 -2.90 0.00 0.00 -2.87 0.00 0.00 58.31 52.60 2yuj n LYS 69 Cb 0.48 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 2yuj n LYS 69 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2yuj n ASN 70 N -0.92 1.76 -0.13 4.39 2.85 -1.26 -4.83 115.26 117.12 2yuj n ASN 70 Ca 0.57 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 55.13 2yuj n ASN 70 Cb 1.22 0.00 0.15 0.00 1.24 0.00 0.00 39.78 42.39 2yuj n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2yuj n SER 71 N -2.52 2.26 -3.52 1.20 7.64 -1.26 -5.00 113.62 112.41 2yuj n SER 71 Ca 0.00 -3.16 -0.26 0.00 1.01 0.00 0.00 58.87 56.47 2yuj n SER 71 Cb 0.38 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2yuj n SER 71 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yuj n ASP 72 N -1.39 -5.84 -4.71 6.43 -0.08 -1.21 -5.01 116.55 104.74 2yuj n ASP 72 Ca 0.16 -0.91 -0.23 0.00 -1.51 0.00 0.00 54.79 52.30 2yuj n ASP 72 Cb 0.65 -4.05 -0.07 0.00 2.34 0.00 0.00 41.12 39.99 2yuj n ASP 72 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2yuj s ARG 73 N -5.40 2.34 -0.27 -0.67 1.81 -1.02 -5.00 118.95 110.75 2yuj s ARG 73 Ca 0.47 -1.54 -0.16 0.00 -1.72 0.00 0.00 55.73 52.78 2yuj s ARG 73 Cb -0.13 -2.16 0.08 0.00 -0.45 0.00 0.00 34.95 32.29 2yuj s ARG 73 CO 0.82 0.15 0.67 1.41 -0.68 0.00 0.00 175.30 177.67 2yuj s MET 74 N -3.81 0.70 0.28 3.54 -2.45 -1.26 -2.32 119.30 113.98 2yuj s MET 74 Ca 0.37 1.19 -0.19 0.00 -1.25 0.00 0.00 55.69 55.81 2yuj s MET 74 Cb -0.03 0.15 0.02 0.00 1.25 0.00 0.00 34.83 36.22 2yuj s MET 74 CO 0.22 -0.15 0.68 -0.08 1.05 0.00 0.00 175.02 176.74 2yuj s THR 75 N 1.55 0.00 -0.09 10.11 -1.32 -1.20 -4.86 115.64 119.83 2yuj s THR 75 Ca -0.09 -1.08 -0.02 0.00 -1.21 0.00 0.00 61.69 59.28 2yuj s THR 75 Cb -0.05 -2.11 0.04 0.00 -1.51 0.00 0.00 72.50 68.86 2yuj s THR 75 CO -0.18 0.00 0.05 -1.00 -2.21 0.00 0.00 174.62 171.27 2yuj s HIS 76 N -3.80 0.36 0.16 9.09 3.76 -1.26 -1.88 115.29 121.72 2yuj s HIS 76 Ca 0.14 -0.09 0.10 0.00 -0.15 0.00 0.00 55.06 55.06 2yuj s HIS 76 Cb -0.05 -0.67 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 2yuj s HIS 76 CO 0.08 -0.34 -0.22 0.00 -0.85 0.00 0.00 174.74 173.41 2yuj s GLY 78 N -2.49 1.44 0.15 0.00 0.00 -1.10 0.00 107.32 105.33 2yuj s GLY 78 Ca 0.16 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 2yuj s GLY 78 CO 0.08 -0.13 1.47 0.54 0.00 0.00 0.00 173.10 175.05 2yuj s VAL 79 N 0.56 2.95 -0.12 1.40 0.11 -1.22 -2.51 120.40 121.56 2yuj s VAL 79 Ca -0.11 0.69 -0.11 0.00 -2.93 0.00 0.00 61.98 59.53 2yuj s VAL 79 Cb -0.16 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 2yuj s VAL 79 CO 0.04 0.06 -0.23 -0.11 -3.33 0.00 0.00 175.10 171.53 2yuj n LEU 80 N 3.77 1.52 -4.77 2.54 7.94 -0.61 -4.85 117.00 122.53 2yuj n LEU 80 Ca 0.12 0.25 -0.26 0.00 -1.11 0.00 0.00 56.01 55.01 2yuj n LEU 80 Cb 0.40 -0.58 -0.06 0.00 0.53 0.00 0.00 43.42 43.72 2yuj n LEU 80 CO 0.60 -0.14 -0.23 -1.61 -1.11 0.00 0.00 177.39 174.90 2yuj s GLU 81 N -2.50 2.80 -0.52 1.96 2.02 -1.22 -5.07 118.70 116.18 2yuj s GLU 81 Ca -0.21 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 53.86 2yuj s GLU 81 Cb 0.05 -2.57 0.16 0.00 0.10 0.00 0.00 34.13 31.87 2yuj s GLU 81 CO 0.30 0.46 0.36 -0.06 0.02 0.00 0.00 175.26 176.34 2yuj s PHE 82 N -1.81 2.17 -0.07 1.61 0.40 -1.26 -3.08 117.98 115.94 2yuj s PHE 82 Ca 0.31 -2.69 0.06 0.00 -0.60 0.00 0.00 56.93 54.01 2yuj s PHE 82 Cb -0.10 -1.78 0.13 0.00 0.51 0.00 0.00 43.02 41.78 2yuj s PHE 82 CO 0.23 -0.72 1.12 1.33 0.70 0.00 0.00 175.22 177.87 2yuj n VAL 83 N 2.75 0.03 -2.33 -0.44 0.24 -1.15 -4.53 118.33 112.91 2yuj n VAL 83 Ca 0.20 -0.35 -0.26 0.00 -2.04 0.00 0.00 64.34 61.89 2yuj n VAL 83 Cb 0.40 0.66 0.05 0.00 -1.47 0.00 0.00 33.84 33.48 2yuj n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yuj s ALA 84 N -0.08 3.29 0.71 2.33 0.00 -1.14 -4.94 121.76 121.92 2yuj s ALA 84 Ca 0.06 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 2yuj s ALA 84 Cb 0.13 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2yuj s ALA 84 CO -0.04 -1.04 1.07 0.34 0.00 0.00 0.00 175.76 176.09 2yuj s ASP 85 N -4.42 5.18 -0.37 0.00 -1.08 -1.24 -4.19 116.67 110.54 2yuj s ASP 85 Ca 0.57 1.70 -0.28 0.00 -0.52 0.00 0.00 52.55 54.03 2yuj s ASP 85 Cb -0.11 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 2yuj s ASP 85 CO 0.44 -1.58 1.95 -1.61 0.52 0.00 0.00 175.17 174.89 2yuj s GLU 86 N -4.89 3.06 0.00 4.34 2.02 -1.26 -1.93 118.70 120.04 2yuj s GLU 86 Ca 0.60 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.99 2yuj s GLU 86 Cb -0.15 -4.30 0.00 0.00 0.10 0.00 0.00 34.13 29.78 2yuj s GLU 86 CO 0.53 -2.19 0.00 0.41 0.02 0.00 0.00 175.26 174.03 2yuj n GLY 87 N 5.59 0.76 2.71 -1.39 0.00 -1.26 -5.05 105.19 106.55 2yuj n GLY 87 Ca 0.25 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2yuj n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yuj s ILE 88 N -2.00 -0.31 -0.11 -0.61 1.01 -0.81 -4.08 121.20 114.29 2yuj s ILE 88 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 2yuj s ILE 88 Cb 0.00 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 2yuj s ILE 88 CO 0.00 -0.55 0.37 0.00 0.00 0.00 0.00 174.94 174.76 2yuj s TYR 90 N 0.14 3.41 0.13 0.00 2.02 -1.06 -1.08 117.35 120.91 2yuj s TYR 90 Ca 0.21 0.61 0.08 0.00 -0.37 0.00 0.00 57.07 57.60 2yuj s TYR 90 Cb -0.14 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 2yuj s TYR 90 CO 0.08 0.09 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.46 2yuj s LEU 91 N 0.96 2.38 0.00 -1.29 1.43 0.18 -1.95 118.68 120.39 2yuj s LEU 91 Ca 0.18 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 2yuj s LEU 91 Cb -0.14 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.39 2yuj s LEU 91 CO 0.07 -0.03 0.19 -2.65 0.23 0.00 0.00 176.35 174.15 2yuj n PRO 92 N 0.66 -1.31 -0.03 1.29 -0.02 -1.26 -3.32 135.00 131.01 2yuj n PRO 92 Ca -0.16 -0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 60.80 2yuj n PRO 92 Cb 0.56 -0.51 -0.13 0.00 -0.02 0.00 0.00 33.50 33.39 2yuj n PRO 92 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2yuj n HIS 93 N -3.39 0.96 -0.09 6.00 -0.00 -1.26 -3.51 115.22 113.93 2yuj n HIS 93 Ca 0.03 0.21 -0.11 0.00 0.46 0.00 0.00 57.72 58.30 2yuj n HIS 93 Cb 0.13 -1.12 -0.04 0.00 -0.12 0.00 0.00 29.99 28.83 2yuj n HIS 93 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 2yuj h TRP 94 N 0.02 0.54 -0.25 1.57 5.08 -1.93 -2.05 115.95 118.93 2yuj h TRP 94 Ca -0.46 -0.10 -0.06 0.00 1.08 0.00 0.00 58.89 59.35 2yuj h TRP 94 Cb 1.98 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 27.99 2yuj h TRP 94 CO 0.07 0.67 -0.09 1.98 -1.28 0.00 0.00 178.44 179.78 2yuj h MET 95 N 0.25 0.39 -0.42 0.12 4.05 -1.89 0.17 114.93 117.61 2yuj h MET 95 Ca 0.07 -0.09 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 2yuj h MET 95 Cb 0.47 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2yuj h MET 95 CO 0.02 0.49 -0.29 0.52 0.23 0.00 0.00 176.91 177.88 2yuj h MET 96 N 0.37 0.91 0.06 0.39 2.86 -1.56 -2.68 114.93 115.28 2yuj h MET 96 Ca 0.08 -0.42 -0.24 0.00 -2.06 0.00 0.00 59.70 57.05 2yuj h MET 96 Cb 0.39 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2yuj h MET 96 CO 0.02 1.08 -1.08 1.96 1.06 0.00 0.00 176.91 179.95 2yuj h GLN 97 N 0.77 0.24 -0.98 1.72 4.20 -1.02 -2.19 115.11 117.86 2yuj h GLN 97 Ca 0.09 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2yuj h GLN 97 Cb 0.86 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.71 2yuj h GLN 97 CO 0.08 1.11 0.63 -0.97 -0.67 0.00 0.00 178.83 179.01 2yuj h ASN 98 N 0.10 1.14 0.85 1.46 -1.24 -0.61 -1.96 115.58 115.32 2yuj h ASN 98 Ca -0.09 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.88 2yuj h ASN 98 Cb 1.77 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 40.54 2yuj h ASN 98 CO 0.17 0.84 -0.54 0.18 -1.29 0.00 0.00 177.43 176.79 2yuj n LEU 99 N -4.37 0.65 -2.98 0.34 4.77 -1.02 -4.95 117.00 109.44 2yuj n LEU 99 Ca 0.11 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 2yuj n LEU 99 Cb 0.03 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2yuj n LEU 99 CO 0.37 -0.03 0.09 0.18 -1.33 0.00 0.00 177.39 176.67 2yuj n LEU 100 N -2.00 -2.87 0.00 2.23 4.77 -0.74 -4.90 117.00 113.49 2yuj n LEU 100 Ca 0.04 -0.35 -0.25 0.00 -0.03 0.00 0.00 56.01 55.41 2yuj n LEU 100 Cb 0.42 -2.77 0.18 0.00 -2.33 0.00 0.00 43.42 38.91 2yuj n LEU 100 CO 0.35 0.37 0.76 0.18 -1.33 0.00 0.00 177.39 177.72 2yuj n LEU 101 N -4.05 0.00 -4.38 2.23 4.77 -1.02 -5.05 117.00 109.50 2yuj n LEU 101 Ca -0.06 -1.29 -0.19 0.00 -0.03 0.00 0.00 56.01 54.44 2yuj n LEU 101 Cb 0.59 -0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 2yuj n LEU 101 CO 0.49 -1.32 -0.30 -1.61 -1.33 0.00 0.00 177.39 173.33 2yuj s GLU 102 N -5.51 1.48 -1.00 3.23 2.02 -1.26 -4.94 118.70 112.72 2yuj s GLU 102 Ca 0.65 -1.79 -0.26 0.00 0.02 0.00 0.00 54.97 53.60 2yuj s GLU 102 Cb -0.02 -0.70 -0.16 0.00 0.10 0.00 0.00 34.13 33.35 2yuj s GLU 102 CO 0.46 -0.15 2.16 -1.83 0.02 0.00 0.00 175.26 175.92 2yuj s GLU 103 N -3.89 1.62 0.00 1.61 -1.05 -1.26 -1.64 118.70 114.08 2yuj s GLU 103 Ca 0.33 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 2yuj s GLU 103 Cb 0.07 -4.97 0.00 0.00 -0.44 0.00 0.00 34.13 28.79 2yuj s GLU 103 CO 0.12 -4.79 0.00 0.41 0.95 0.00 0.00 175.26 171.95 2yuj n GLY 104 N 6.36 1.60 3.74 -3.83 0.00 0.88 -4.98 105.19 108.96 2yuj n GLY 104 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 2yuj n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yuj s GLY 105 N -2.00 2.53 -0.06 -0.02 0.00 -0.65 -4.61 107.32 102.51 2yuj s GLY 105 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.46 2yuj s GLY 105 CO 0.00 0.88 0.73 1.08 0.00 0.00 0.00 173.10 175.79 2yuj s LEU 106 N 0.39 4.32 0.06 0.66 1.43 -1.25 -1.05 118.68 123.24 2yuj s LEU 106 Ca 0.31 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.69 2yuj s LEU 106 Cb -0.17 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 2yuj s LEU 106 CO 0.15 -0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 175.78 2yuj s VAL 107 N 0.86 0.92 -0.02 -1.59 1.01 -1.13 -4.89 120.40 115.57 2yuj s VAL 107 Ca 0.39 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 2yuj s VAL 107 Cb -0.18 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2yuj s VAL 107 CO 0.19 -0.22 1.74 -1.10 0.00 0.00 0.00 175.10 175.71 2yuj s GLN 108 N -1.55 4.17 -0.77 2.72 -1.52 -1.24 -3.19 119.66 118.29 2yuj s GLN 108 Ca -0.04 2.32 -0.08 0.00 -1.95 0.00 0.00 55.36 55.62 2yuj s GLN 108 Cb -0.09 -4.00 0.20 0.00 -0.22 0.00 0.00 33.01 28.89 2yuj s GLN 108 CO 0.01 -0.87 0.65 0.08 -0.25 0.00 0.00 175.29 174.92 2yuj s VAL 109 N 4.03 4.70 -0.09 1.09 1.01 0.16 -3.52 120.40 127.79 2yuj s VAL 109 Ca 0.78 -2.91 -0.05 0.00 0.00 0.00 0.00 61.98 59.80 2yuj s VAL 109 Cb -0.36 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2yuj s VAL 109 CO 0.33 -0.98 0.10 -1.61 0.00 0.00 0.00 175.10 172.93 2yuj s GLU 110 N -0.21 3.27 -0.47 2.72 2.02 -1.24 -2.68 118.70 122.11 2yuj s GLU 110 Ca 0.19 -0.26 -0.17 0.00 0.02 0.00 0.00 54.97 54.75 2yuj s GLU 110 Cb -0.14 -3.04 0.05 0.00 0.10 0.00 0.00 34.13 31.11 2yuj s GLU 110 CO -0.07 0.74 0.49 -1.54 0.02 0.00 0.00 175.26 174.90 2yuj s SER 111 N -1.12 6.19 0.29 -0.19 1.04 -0.79 -0.87 113.70 118.24 2yuj s SER 111 Ca 0.16 -0.98 0.11 0.00 0.48 0.00 0.00 55.95 55.73 2yuj s SER 111 Cb -0.12 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 2yuj s SER 111 CO 0.06 -0.71 -0.14 0.68 0.98 0.00 0.00 173.24 174.11 2yuj s VAL 112 N 2.14 2.67 -0.17 5.02 -7.23 -1.22 -4.82 120.40 116.79 2yuj s VAL 112 Ca 0.10 -2.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.02 2yuj s VAL 112 Cb -0.20 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2yuj s VAL 112 CO 0.11 -0.36 -0.19 0.21 -0.31 0.00 0.00 175.10 174.55 2yuj s ASN 113 N -3.57 3.04 0.51 4.85 2.47 -1.26 -4.41 114.94 116.57 2yuj s ASN 113 Ca 0.31 -0.62 0.04 0.00 0.42 0.00 0.00 52.86 53.01 2yuj s ASN 113 Cb -0.04 -1.42 0.00 0.00 -1.45 0.00 0.00 41.25 38.34 2yuj s ASN 113 CO 0.16 -0.01 0.21 -0.76 -3.72 0.00 0.00 177.10 172.99 2yuj s LEU 114 N 1.32 2.60 0.38 3.21 1.43 -1.26 -5.09 118.68 121.27 2yuj s LEU 114 Ca 0.05 -1.38 0.06 0.00 -1.03 0.00 0.00 54.13 51.82 2yuj s LEU 114 Cb -0.13 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 2yuj s LEU 114 CO -0.12 -0.92 0.03 0.00 0.23 0.00 0.00 176.35 175.57 2yuj s GLN 115 N -4.06 1.86 0.23 1.70 0.00 -1.26 -4.61 119.66 113.51 2yuj s GLN 115 Ca 0.24 -2.05 -0.30 0.00 -0.00 0.00 0.00 55.36 53.24 2yuj s GLN 115 Cb 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 33.01 31.56 2yuj s GLN 115 CO 0.14 -0.12 1.47 0.14 0.00 0.00 0.00 175.29 176.92 2yuj s VAL 116 N -2.93 2.66 0.73 3.63 -7.23 -1.17 -0.96 120.40 115.13 2yuj s VAL 116 Ca 0.34 0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 60.94 2yuj s VAL 116 Cb 0.09 -3.34 0.03 0.00 0.56 0.00 0.00 36.38 33.72 2yuj s VAL 116 CO 0.17 0.07 1.07 0.00 -0.31 0.00 0.00 175.10 176.10 2yuj s ALA 117 N 0.29 2.58 0.00 1.32 0.00 -1.26 -4.74 121.76 119.95 2yuj s ALA 117 Ca 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2yuj s ALA 117 Cb -0.42 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2yuj s ALA 117 CO 0.40 -1.36 0.00 0.25 0.00 0.00 0.00 175.76 175.05 2yuj n THR 118 N -3.20 0.00 -3.91 0.00 -2.24 -1.06 -4.61 114.28 99.26 2yuj n THR 118 Ca 0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 2yuj n THR 118 Cb 0.55 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 68.01 2yuj n THR 118 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2yuj s TYR 119 N -1.98 3.03 -0.23 4.78 5.04 -1.26 0.39 117.35 127.11 2yuj s TYR 119 Ca 0.00 -2.98 -0.06 0.00 -2.44 0.00 0.00 57.07 51.59 2yuj s TYR 119 Cb 0.00 -2.65 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 2yuj s TYR 119 CO 0.00 -0.79 0.03 -1.12 -1.34 0.00 0.00 175.55 172.33 2yuj s SER 120 N 0.07 4.87 0.18 4.32 0.01 -1.06 -1.32 113.70 120.76 2yuj s SER 120 Ca 0.16 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.21 2yuj s SER 120 Cb -0.24 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2yuj s SER 120 CO -0.02 -0.02 0.22 -0.75 0.41 0.00 0.00 173.24 173.08 2yuj s LYS 121 N 1.49 3.14 0.04 12.44 2.20 0.18 -0.95 119.74 138.28 2yuj s LYS 121 Ca 0.06 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2yuj s LYS 121 Cb -0.15 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.38 2yuj s LYS 121 CO 0.01 0.48 0.02 -0.06 -0.36 0.00 0.00 175.35 175.44 2yuj s PHE 122 N -1.83 0.33 -0.38 4.03 0.40 -1.14 -2.40 117.98 116.98 2yuj s PHE 122 Ca 0.33 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2yuj s PHE 122 Cb -0.10 -0.24 0.14 0.00 0.51 0.00 0.00 43.02 43.33 2yuj s PHE 122 CO 0.26 -0.33 0.23 -1.14 0.70 0.00 0.00 175.22 174.94 2yuj s GLN 123 N -2.80 0.80 -0.27 0.44 0.74 0.88 -0.80 119.66 118.64 2yuj s GLN 123 Ca -0.03 -1.59 -0.36 0.00 0.05 0.00 0.00 55.36 53.43 2yuj s GLN 123 Cb -0.00 -1.63 -0.12 0.00 1.10 0.00 0.00 33.01 32.36 2yuj s GLN 123 CO -0.06 -1.21 2.02 -2.30 -0.55 0.00 0.00 175.29 173.20 2yuj n PRO 124 N 3.81 1.36 0.10 1.67 -0.02 -1.26 -2.89 135.00 137.78 2yuj n PRO 124 Ca 0.12 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 2yuj n PRO 124 Cb 0.37 -2.44 0.20 0.00 -0.02 0.00 0.00 33.50 31.61 2yuj n PRO 124 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2yuj h GLN 125 N 10.55 0.19 -5.82 -0.52 1.08 -1.80 -3.44 115.11 115.35 2yuj h GLN 125 Ca -0.37 -0.10 -0.64 0.00 -1.45 0.00 0.00 58.65 56.09 2yuj h GLN 125 Cb 1.31 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.69 2yuj h GLN 125 CO 0.99 0.63 -0.44 0.45 -0.95 0.00 0.00 178.83 179.51 2yuj s SER 126 N -6.88 6.43 0.50 1.46 0.15 -1.19 -5.00 113.70 109.17 2yuj s SER 126 Ca -0.04 0.46 0.30 0.00 0.70 0.00 0.00 55.95 57.37 2yuj s SER 126 Cb 0.13 -2.05 1.01 0.00 -1.71 0.00 0.00 66.02 63.40 2yuj s SER 126 CO 0.77 0.28 1.85 1.55 1.20 0.00 0.00 173.24 178.90 2yuj h PRO 127 N 4.08 0.00 -0.83 5.44 0.13 -1.93 -3.20 132.00 135.70 2yuj h PRO 127 Ca -0.50 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 2yuj h PRO 127 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2yuj h PRO 127 CO 0.66 0.00 0.54 -0.44 -0.23 0.00 0.00 178.00 178.53 2yuj h ASP 128 N 0.00 0.62 -0.24 1.44 3.32 -1.96 -0.76 116.42 118.85 2yuj h ASP 128 Ca 0.00 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 2yuj h ASP 128 Cb 0.67 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2yuj h ASP 128 CO 0.00 0.35 -0.42 0.15 -1.72 0.00 0.00 179.24 177.60 2yuj h PHE 129 N 0.68 0.88 -0.12 4.55 3.57 -1.91 -3.08 116.94 121.51 2yuj h PHE 129 Ca 0.40 -0.31 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2yuj h PHE 129 Cb 0.60 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2yuj h PHE 129 CO -0.00 1.08 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.99 2yuj h LEU 130 N 0.42 0.16 -1.72 0.59 3.38 -1.43 -1.62 115.31 115.10 2yuj h LEU 130 Ca 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2yuj h LEU 130 Cb 1.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2yuj h LEU 130 CO 0.09 0.29 -0.12 -0.78 0.09 0.00 0.00 178.44 178.02 2yuj h ASP 131 N 0.17 0.00 -3.97 -0.43 3.58 -1.09 -3.44 116.42 111.23 2yuj h ASP 131 Ca 0.04 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.94 2yuj h ASP 131 Cb 0.29 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.46 2yuj h ASP 131 CO 0.02 0.12 0.75 -0.38 -2.88 0.00 0.00 179.24 176.86 2yuj n ILE 132 N -3.43 2.48 -0.14 2.25 5.41 -0.61 -4.92 119.36 120.39 2yuj n ILE 132 Ca -0.01 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.13 2yuj n ILE 132 Cb 0.29 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.28 2yuj n ILE 132 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2yuj h THR 133 N 2.58 1.27 -2.50 1.39 2.02 -1.87 -3.36 112.91 112.45 2yuj h THR 133 Ca -0.51 -1.17 -0.60 0.00 0.77 0.00 0.00 66.41 64.90 2yuj h THR 133 Cb 1.26 1.19 -0.41 0.00 -1.74 0.00 0.00 68.15 68.44 2yuj h THR 133 CO 0.62 0.39 -0.72 0.59 0.37 0.00 0.00 175.52 176.78 2yuj n ASN 134 N -4.34 2.38 0.04 4.18 4.13 -1.26 -4.93 115.26 115.46 2yuj n ASN 134 Ca -0.01 -3.10 0.13 0.00 1.68 0.00 0.00 54.58 53.28 2yuj n ASN 134 Cb 0.35 -0.68 0.59 0.00 -1.54 0.00 0.00 39.78 38.51 2yuj n ASN 134 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2yuj h PRO 135 N 4.77 0.17 -0.64 3.52 0.11 -1.84 -1.89 132.00 136.20 2yuj h PRO 135 Ca 0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2yuj h PRO 135 Cb 0.76 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 2yuj h PRO 135 CO 0.67 0.11 0.38 0.87 -0.21 0.00 0.00 178.00 179.82 2yuj h LYS 136 N 0.17 0.87 -0.27 1.05 1.57 -1.95 0.13 116.57 118.14 2yuj h LYS 136 Ca 0.18 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2yuj h LYS 136 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2yuj h LYS 136 CO -0.03 0.63 0.15 0.00 -0.57 0.00 0.00 179.45 179.63 2yuj h ALA 137 N 1.19 0.33 -0.25 3.86 0.00 -1.77 -0.06 119.26 122.56 2yuj h ALA 137 Ca 0.23 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2yuj h ALA 137 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2yuj h ALA 137 CO -0.04 -0.24 -0.08 0.28 0.00 0.00 0.00 179.25 179.17 2yuj h VAL 138 N 0.31 1.29 -0.13 0.00 2.07 -1.46 0.20 116.25 118.53 2yuj h VAL 138 Ca 0.11 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2yuj h VAL 138 Cb 0.01 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2yuj h VAL 138 CO -0.06 0.35 0.09 0.25 0.02 0.00 0.00 177.57 178.22 2yuj h LEU 139 N 0.24 0.15 0.01 2.57 5.85 -0.57 -1.41 115.31 122.14 2yuj h LEU 139 Ca 0.06 -0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.50 2yuj h LEU 139 Cb 0.56 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2yuj h LEU 139 CO 0.03 0.10 -1.53 -0.33 -0.34 0.00 0.00 178.44 176.37 2yuj h GLU 140 N 0.17 0.03 -0.07 1.25 5.08 -0.82 -2.74 114.58 117.48 2yuj h GLU 140 Ca 0.05 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2yuj h GLU 140 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2yuj h GLU 140 CO -0.01 0.69 -0.35 -0.91 -1.00 0.00 0.00 179.01 177.43 2yuj h ASN 141 N 0.01 0.14 0.42 1.42 2.35 0.13 -3.00 115.58 117.04 2yuj h ASN 141 Ca -0.22 -0.05 -0.31 0.00 -0.55 0.00 0.00 56.30 55.18 2yuj h ASN 141 Cb 1.95 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 40.25 2yuj h ASN 141 CO 0.10 0.48 -1.74 0.00 -1.65 0.00 0.00 177.43 174.62 2yuj h ALA 142 N 1.53 0.63 -0.04 -0.83 0.00 -1.40 -3.34 119.26 115.81 2yuj h ALA 142 Ca 0.01 -1.40 0.01 0.00 0.00 0.00 0.00 54.91 53.54 2yuj h ALA 142 Cb 0.67 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2yuj h ALA 142 CO 0.05 1.47 0.04 -0.07 0.00 0.00 0.00 179.25 180.74 2yuj h LEU 143 N 0.02 0.00 -1.64 0.00 3.38 -1.39 -1.65 115.31 114.04 2yuj h LEU 143 Ca -0.31 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.77 2yuj h LEU 143 Cb 2.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.72 2yuj h LEU 143 CO 0.09 0.00 0.41 0.03 0.09 0.00 0.00 178.44 179.06 2yuj h ARG 144 N 0.00 0.39 0.05 1.13 3.08 -1.65 -0.98 114.38 116.41 2yuj h ARG 144 Ca 0.02 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2yuj h ARG 144 Cb 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2yuj h ARG 144 CO -0.00 0.26 -1.04 -0.91 -1.07 0.00 0.00 179.97 177.21 2yuj h ASN 145 N 0.41 0.39 -3.65 7.04 4.21 -1.54 -3.45 115.58 118.98 2yuj h ASN 145 Ca 0.28 -0.36 -0.52 0.00 1.21 0.00 0.00 56.30 56.91 2yuj h ASN 145 Cb 0.56 -0.12 0.04 0.00 -1.12 0.00 0.00 38.32 37.68 2yuj h ASN 145 CO -0.08 1.21 0.62 -0.36 -1.29 0.00 0.00 177.43 177.53 2yuj s PHE 146 N -2.99 3.22 -0.15 1.19 0.40 -0.37 -3.64 117.98 115.64 2yuj s PHE 146 Ca -0.04 1.37 0.17 0.00 -0.60 0.00 0.00 56.93 57.83 2yuj s PHE 146 Cb 0.09 -3.59 -0.24 0.00 0.51 0.00 0.00 43.02 39.79 2yuj s PHE 146 CO 0.86 -1.68 0.13 0.00 0.70 0.00 0.00 175.22 175.23 2yuj n ALA 147 N 1.64 1.78 -2.26 5.36 0.00 -1.26 -4.79 120.51 120.98 2yuj n ALA 147 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 2yuj n ALA 147 Cb 0.43 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 2yuj n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuj s LEU 149 N -2.79 0.06 -0.08 0.00 1.43 -0.89 -4.92 118.68 111.49 2yuj s LEU 149 Ca 0.05 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2yuj s LEU 149 Cb 0.06 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.28 2yuj s LEU 149 CO -0.09 -0.25 -0.08 -0.89 0.23 0.00 0.00 176.35 175.26 2yuj s THR 150 N 2.22 3.57 0.06 5.49 2.01 -1.25 -3.16 115.64 124.58 2yuj s THR 150 Ca 0.04 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 2yuj s THR 150 Cb -0.12 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 69.84 2yuj s THR 150 CO -0.04 0.58 1.80 -0.89 -0.69 0.00 0.00 174.62 175.38 2yuj s THR 151 N -0.62 2.94 0.00 -0.82 2.01 -1.15 -3.44 115.64 114.56 2yuj s THR 151 Ca 0.09 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2yuj s THR 151 Cb -0.12 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.24 2yuj s THR 151 CO 0.02 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2yuj n GLY 152 N 4.24 0.49 2.88 4.40 0.00 -1.24 -5.00 105.19 110.97 2yuj n GLY 152 Ca 0.18 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2yuj n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuj s ASP 153 N -1.57 0.60 -0.91 1.61 1.11 -1.22 -4.88 116.67 111.41 2yuj s ASP 153 Ca 0.00 -0.07 -0.16 0.00 0.18 0.00 0.00 52.55 52.49 2yuj s ASP 153 Cb 0.00 -0.25 0.17 0.00 1.07 0.00 0.00 42.92 43.91 2yuj s ASP 153 CO 0.00 -0.04 1.01 -0.69 1.18 0.00 0.00 175.17 176.63 2yuj s VAL 154 N 0.67 5.12 0.27 -1.27 1.01 -1.26 -2.61 120.40 122.33 2yuj s VAL 154 Ca -0.08 -2.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.60 2yuj s VAL 154 Cb -0.11 -4.66 -0.09 0.00 0.00 0.00 0.00 36.38 31.52 2yuj s VAL 154 CO -0.01 -1.32 0.93 0.27 0.00 0.00 0.00 175.10 174.97 2yuj s ILE 155 N 1.56 4.15 -0.44 2.22 -4.36 -0.96 -4.85 121.20 118.51 2yuj s ILE 155 Ca 0.28 1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 62.60 2yuj s ILE 155 Cb -0.07 -4.18 0.12 0.00 1.25 0.00 0.00 42.46 39.58 2yuj s ILE 155 CO -0.09 0.34 0.23 0.00 0.24 0.00 0.00 174.94 175.66 2yuj s ALA 156 N -1.38 3.20 0.34 2.27 0.00 -1.26 -2.45 121.76 122.49 2yuj s ALA 156 Ca 0.45 -2.69 -0.18 0.00 0.00 0.00 0.00 51.96 49.54 2yuj s ALA 156 Cb -0.23 -2.40 -0.10 0.00 0.00 0.00 0.00 23.12 20.40 2yuj s ALA 156 CO 0.28 -1.85 0.82 0.96 0.00 0.00 0.00 175.76 175.97 2yuj s ILE 157 N 0.86 4.54 -0.00 0.00 -4.36 -1.15 -4.87 121.20 116.21 2yuj s ILE 157 Ca 0.10 1.23 -0.17 0.00 -0.26 0.00 0.00 60.65 61.56 2yuj s ILE 157 Cb -0.22 -3.67 0.03 0.00 1.25 0.00 0.00 42.46 39.85 2yuj s ILE 157 CO -0.04 -0.15 0.36 0.21 0.24 0.00 0.00 174.94 175.55 2yuj s ASN 158 N -2.11 -0.23 0.00 4.36 3.84 -1.26 -1.44 114.94 118.09 2yuj s ASN 158 Ca 0.55 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.71 2yuj s ASN 158 Cb -0.11 0.35 0.00 0.00 -0.55 0.00 0.00 41.25 40.94 2yuj s ASN 158 CO 0.17 -0.52 0.00 0.00 -2.79 0.00 0.00 177.10 173.96 2yuj n TYR 159 N 1.03 -0.02 -1.70 0.43 4.11 -1.26 -4.98 117.16 114.78 2yuj n TYR 159 Ca -0.20 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.36 2yuj n TYR 159 Cb 0.57 0.00 0.05 0.00 -0.00 0.00 0.00 39.34 39.97 2yuj n TYR 159 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2yuj n ASN 160 N -0.74 6.92 -2.42 9.48 5.15 -1.26 -4.85 115.26 127.54 2yuj n ASN 160 Ca 0.00 -3.79 -0.18 0.00 -0.60 0.00 0.00 54.58 50.01 2yuj n ASN 160 Cb 0.00 -0.84 -0.01 0.00 -0.53 0.00 0.00 39.78 38.40 2yuj n ASN 160 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2yuj n GLU 161 N -0.75 -1.87 -3.67 1.20 -0.58 -1.26 -4.96 120.64 108.76 2yuj n GLU 161 Ca 0.55 0.89 -0.15 0.00 -0.42 0.00 0.00 57.16 58.03 2yuj n GLU 161 Cb 0.61 -5.54 -0.14 0.00 -0.57 0.00 0.00 31.44 25.80 2yuj n GLU 161 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yuj s LYS 162 N -5.05 0.09 -0.99 3.49 1.02 -1.26 -5.09 119.74 111.95 2yuj s LYS 162 Ca 0.00 0.64 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 2yuj s LYS 162 Cb -0.00 -0.16 0.09 0.00 -0.52 0.00 0.00 37.83 37.24 2yuj s LYS 162 CO 0.00 -0.29 1.30 0.42 -0.92 0.00 0.00 175.35 175.86 2yuj s ILE 163 N 2.30 4.32 -0.10 2.17 1.09 -1.26 -4.24 121.20 125.49 2yuj s ILE 163 Ca 0.02 -1.20 -0.30 0.00 -1.10 0.00 0.00 60.65 58.07 2yuj s ILE 163 Cb -0.12 -4.93 -0.04 0.00 -1.06 0.00 0.00 42.46 36.32 2yuj s ILE 163 CO -0.07 -1.73 1.46 -0.31 -0.10 0.00 0.00 174.94 174.19 2yuj s TYR 164 N 3.83 2.43 0.16 3.97 1.51 -0.52 -4.87 117.35 123.85 2yuj s TYR 164 Ca 0.40 0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 56.76 2yuj s TYR 164 Cb -0.02 -3.72 -0.07 0.00 -0.11 0.00 0.00 41.96 38.04 2yuj s TYR 164 CO -0.09 -2.80 1.14 -1.21 -1.11 0.00 0.00 175.55 171.48 2yuj s GLU 165 N 3.65 4.54 0.08 -0.62 2.02 -1.26 -2.92 118.70 124.18 2yuj s GLU 165 Ca 0.64 1.76 -0.06 0.00 0.02 0.00 0.00 54.97 57.34 2yuj s GLU 165 Cb -0.28 -3.28 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 2yuj s GLU 165 CO 0.23 -0.03 0.11 -0.51 0.02 0.00 0.00 175.26 175.08 2yuj s LEU 166 N -0.06 1.78 -0.19 1.80 1.43 -1.03 -2.62 118.68 119.79 2yuj s LEU 166 Ca 0.52 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2yuj s LEU 166 Cb -0.30 0.74 0.09 0.00 0.03 0.00 0.00 46.19 46.74 2yuj s LEU 166 CO 0.34 -0.69 0.42 -0.60 0.23 0.00 0.00 176.35 176.05 2yuj s ARG 167 N -3.89 0.34 0.32 1.70 3.52 -1.14 -2.27 118.95 117.53 2yuj s ARG 167 Ca 0.07 1.00 -0.29 0.00 -0.13 0.00 0.00 55.73 56.38 2yuj s ARG 167 Cb 0.06 0.28 -0.11 0.00 -1.56 0.00 0.00 34.95 33.62 2yuj s ARG 167 CO -0.10 -0.24 1.46 0.08 -0.81 0.00 0.00 175.30 175.69 2yuj s VAL 168 N 2.42 2.33 -0.16 7.11 1.01 -1.07 -0.08 120.40 131.95 2yuj s VAL 168 Ca -0.03 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 2yuj s VAL 168 Cb -0.11 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 2yuj s VAL 168 CO -0.13 0.06 -0.29 0.23 0.00 0.00 0.00 175.10 174.98 2yuj n MET 169 N 1.24 0.45 -4.12 2.72 2.81 -1.01 -3.61 117.12 115.60 2yuj n MET 169 Ca 0.03 0.18 -0.09 0.00 -1.81 0.00 0.00 57.70 56.01 2yuj n MET 169 Cb 0.40 -1.27 -0.10 0.00 -0.71 0.00 0.00 33.22 31.53 2yuj n MET 169 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2yuj s GLU 170 N -2.62 0.68 -0.20 0.03 2.56 -1.23 -4.75 118.70 113.17 2yuj s GLU 170 Ca -0.26 -1.19 -0.17 0.00 0.00 0.00 0.00 54.97 53.34 2yuj s GLU 170 Cb 0.06 -0.02 0.05 0.00 2.00 0.00 0.00 34.13 36.23 2yuj s GLU 170 CO 0.37 -0.05 0.52 0.95 -0.56 0.00 0.00 175.26 176.48 2yuj s THR 171 N -3.41 -0.00 0.20 -1.70 -4.23 -1.25 0.47 115.64 105.71 2yuj s THR 171 Ca 0.06 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 60.68 2yuj s THR 171 Cb 0.04 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 2yuj s THR 171 CO -0.06 0.00 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.27 2yuj s LYS 172 N 0.41 1.47 0.31 3.99 1.02 -0.44 -3.97 119.74 122.53 2yuj s LYS 172 Ca -0.01 -1.54 0.16 0.00 0.02 0.00 0.00 55.97 54.60 2yuj s LYS 172 Cb -0.04 -1.65 0.36 0.00 -0.52 0.00 0.00 37.83 35.98 2yuj s LYS 172 CO -0.01 0.34 1.58 -1.00 -0.92 0.00 0.00 175.35 175.34 2yuj h PRO 173 N 3.02 0.00 -5.57 -1.68 0.13 -1.91 -2.81 132.00 123.18 2yuj h PRO 173 Ca -0.44 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.07 2yuj h PRO 173 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 2yuj h PRO 173 CO 0.51 0.50 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.68 2yuj s ASP 174 N -6.49 3.77 0.33 1.44 1.11 -1.25 -5.03 116.67 110.54 2yuj s ASP 174 Ca 0.01 -1.40 0.01 0.00 0.18 0.00 0.00 52.55 51.36 2yuj s ASP 174 Cb 0.10 -0.28 0.58 0.00 1.07 0.00 0.00 42.92 44.39 2yuj s ASP 174 CO 0.72 -0.51 1.96 0.07 1.18 0.00 0.00 175.17 178.60 2yuj h LYS 175 N 1.76 0.92 -4.83 8.23 2.10 -1.92 -3.39 116.57 119.44 2yuj h LYS 175 Ca -0.44 -0.06 -0.66 0.00 -2.00 0.00 0.00 60.65 57.50 2yuj h LYS 175 Cb 1.25 -0.21 -0.20 0.00 -0.90 0.00 0.00 32.23 32.17 2yuj h LYS 175 CO 0.79 0.61 -0.55 0.00 -2.00 0.00 0.00 179.45 178.31 2yuj s ALA 176 N -5.81 3.37 0.01 0.07 0.00 -1.26 -2.95 121.76 115.18 2yuj s ALA 176 Ca -0.11 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2yuj s ALA 176 Cb 0.19 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 2yuj s ALA 176 CO 0.78 -0.74 -0.04 0.14 0.00 0.00 0.00 175.76 175.91 2yuj s VAL 177 N 1.67 0.26 -0.48 0.00 -7.23 -1.19 -4.67 120.40 108.76 2yuj s VAL 177 Ca 0.06 -0.37 -0.17 0.00 -1.81 0.00 0.00 61.98 59.69 2yuj s VAL 177 Cb -0.16 -0.27 0.06 0.00 0.56 0.00 0.00 36.38 36.57 2yuj s VAL 177 CO 0.08 -0.08 0.46 -0.55 -0.31 0.00 0.00 175.10 174.70 2yuj s SER 178 N -0.48 6.17 -0.94 4.85 0.15 -0.13 -2.09 113.70 121.23 2yuj s SER 178 Ca -0.03 -1.16 -0.15 0.00 0.70 0.00 0.00 55.95 55.31 2yuj s SER 178 Cb -0.04 -2.22 0.19 0.00 -1.71 0.00 0.00 66.02 62.25 2yuj s SER 178 CO -0.00 -0.71 1.00 0.27 1.20 0.00 0.00 173.24 175.00 2yuj s ILE 179 N 1.95 5.30 -0.70 6.45 -4.36 0.36 -3.06 121.20 127.15 2yuj s ILE 179 Ca 0.08 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.18 2yuj s ILE 179 Cb -0.22 -4.64 0.17 0.00 1.25 0.00 0.00 42.46 39.02 2yuj s ILE 179 CO 0.09 -1.27 0.50 -0.63 0.24 0.00 0.00 174.94 173.87 2yuj s ILE 180 N 0.99 3.35 -0.33 8.37 1.01 -1.26 -4.47 121.20 128.86 2yuj s ILE 180 Ca 0.27 -3.72 -0.03 0.00 0.00 0.00 0.00 60.65 57.17 2yuj s ILE 180 Cb -0.07 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2yuj s ILE 180 CO -0.08 -0.96 0.11 -0.62 0.00 0.00 0.00 174.94 173.39 2yuj n GLU 181 N 2.59 -3.28 -3.88 2.79 1.02 -1.26 -5.07 120.64 113.54 2yuj n GLU 181 Ca 0.15 2.66 -0.09 0.00 -0.02 0.00 0.00 57.16 59.86 2yuj n GLU 181 Cb 0.35 -5.41 -0.01 0.00 -0.02 0.00 0.00 31.44 26.36 2yuj n GLU 181 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yuj s ASP 183 N -3.04 4.75 0.41 0.00 1.11 -1.26 -5.09 116.67 113.55 2yuj s ASP 183 Ca 0.17 -1.20 0.05 0.00 0.18 0.00 0.00 52.55 51.75 2yuj s ASP 183 Cb -0.04 -1.69 -0.02 0.00 1.07 0.00 0.00 42.92 42.24 2yuj s ASP 183 CO 0.11 -0.23 0.17 0.00 1.18 0.00 0.00 175.17 176.40 2yuj s MET 184 N 1.26 1.96 -0.30 8.23 0.23 -1.26 -4.96 119.30 124.45 2yuj s MET 184 Ca -0.05 -2.20 -0.03 0.00 -1.03 0.00 0.00 55.69 52.39 2yuj s MET 184 Cb -0.19 -0.42 0.04 0.00 -1.53 0.00 0.00 34.83 32.73 2yuj s MET 184 CO -0.02 -0.56 0.02 1.21 -2.03 0.00 0.00 175.02 173.64 2yuj s ASN 185 N -3.59 4.94 0.08 -1.18 2.47 0.16 -5.03 114.94 112.79 2yuj s ASN 185 Ca 0.25 -1.18 -0.13 0.00 0.42 0.00 0.00 52.86 52.22 2yuj s ASN 185 Cb 0.01 -1.75 -0.06 0.00 -1.45 0.00 0.00 41.25 38.01 2yuj s ASN 185 CO 0.17 -0.26 0.45 -0.69 -3.72 0.00 0.00 177.10 173.05 2yuj s VAL 186 N 1.30 5.00 0.51 -5.21 1.01 -1.26 -2.57 120.40 119.17 2yuj s VAL 186 Ca -0.04 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2yuj s VAL 186 Cb -0.19 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2yuj s VAL 186 CO -0.00 0.35 0.04 -1.81 0.00 0.00 0.00 175.10 173.68 2yuj s ASP 187 N -1.57 4.17 0.00 3.32 1.11 -0.12 -4.96 116.67 118.62 2yuj s ASP 187 Ca 0.32 -1.60 -0.00 0.00 0.18 0.00 0.00 52.55 51.45 2yuj s ASP 187 Cb -0.15 0.45 -0.00 0.00 1.07 0.00 0.00 42.92 44.29 2yuj s ASP 187 CO 0.17 -0.85 -0.00 -0.36 1.18 0.00 0.00 175.17 175.31 2yuj s PHE 188 N -2.86 0.04 -0.35 4.23 0.08 -1.26 -2.87 117.98 115.00 2yuj s PHE 188 Ca 0.10 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 57.04 2yuj s PHE 188 Cb 0.02 -0.03 0.07 0.00 -0.57 0.00 0.00 43.02 42.51 2yuj s PHE 188 CO 0.06 -0.03 0.09 0.34 -0.10 0.00 0.00 175.22 175.58 2yuj s ASP 189 N -0.24 5.10 0.00 1.36 -1.08 0.02 -4.91 116.67 116.92 2yuj s ASP 189 Ca -0.03 -1.54 0.00 0.00 -0.52 0.00 0.00 52.55 50.47 2yuj s ASP 189 Cb -0.02 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 39.66 2yuj s ASP 189 CO -0.00 -0.38 0.00 0.00 0.52 0.00 0.00 175.17 175.31