#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysx s SER 2 N 0.00 2.07 0.05 1.61 0.01 -1.26 -5.14 113.70 111.04 2ysx s SER 2 Ca 0.00 -0.34 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2ysx s SER 2 Cb 0.00 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2ysx s SER 2 CO 0.00 0.13 -0.03 -0.55 0.41 0.00 0.00 173.24 173.20 2ysx s SER 3 N 0.15 0.52 0.00 2.44 0.15 -1.26 -5.01 113.70 110.69 2ysx s SER 3 Ca -0.06 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2ysx s SER 3 Cb -0.12 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2ysx s SER 3 CO 0.03 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2ysx n GLY 4 N 0.40 -0.30 3.33 9.45 0.00 -1.26 -5.12 105.19 111.70 2ysx n GLY 4 Ca -0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 2ysx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysx s SER 5 N -0.93 -0.45 0.76 1.61 0.15 -1.26 -5.16 113.70 108.42 2ysx s SER 5 Ca 0.00 1.07 -0.13 0.00 0.70 0.00 0.00 55.95 57.59 2ysx s SER 5 Cb 0.00 1.35 0.06 0.00 -1.71 0.00 0.00 66.02 65.72 2ysx s SER 5 CO 0.00 -0.22 1.15 -0.44 1.20 0.00 0.00 173.24 174.92 2ysx s SER 6 N 2.35 4.19 0.00 5.45 0.01 -1.26 -4.80 113.70 119.64 2ysx s SER 6 Ca -0.04 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.35 2ysx s SER 6 Cb -0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2ysx s SER 6 CO -0.14 -2.26 0.00 0.61 0.41 0.00 0.00 173.24 171.87 2ysx n GLY 7 N -0.19 -0.95 3.82 3.44 0.00 -1.26 -5.06 105.19 104.99 2ysx n GLY 7 Ca 0.11 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2ysx n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ysx s MET 8 N -0.58 4.16 0.28 1.61 1.00 -1.26 -5.04 119.30 119.46 2ysx s MET 8 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 55.69 56.11 2ysx s MET 8 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 34.83 31.73 2ysx s MET 8 CO 0.00 0.49 1.29 0.54 0.00 0.00 0.00 175.02 177.34 2ysx s VAL 9 N -1.39 2.97 0.03 -6.03 0.11 -1.26 -4.97 120.40 109.87 2ysx s VAL 9 Ca 0.38 0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 60.02 2ysx s VAL 9 Cb -0.17 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2ysx s VAL 9 CO 0.20 0.19 1.42 -2.16 -3.33 0.00 0.00 175.10 171.42 2ysx s PRO 10 N -1.14 4.28 -0.29 1.54 0.04 -1.26 -4.93 135.00 133.24 2ysx s PRO 10 Ca 0.51 2.02 0.14 0.00 0.04 0.00 0.00 61.00 63.71 2ysx s PRO 10 Cb -0.38 -3.50 0.48 0.00 0.04 0.00 0.00 34.50 31.13 2ysx s PRO 10 CO 0.46 -0.56 1.13 0.00 0.04 0.00 0.00 177.00 178.08 2ysx n TRP 12 N -0.60 0.01 -3.87 0.00 4.27 -1.26 -3.55 117.44 112.45 2ysx n TRP 12 Ca 0.27 -0.01 -0.36 0.00 -3.89 0.00 0.00 57.50 53.51 2ysx n TRP 12 Cb 0.86 -0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.68 2ysx n TRP 12 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2ysx s ASN 13 N -1.11 5.01 -0.07 -0.67 3.84 -1.26 -0.58 114.94 120.10 2ysx s ASN 13 Ca 0.16 -1.35 -0.04 0.00 0.21 0.00 0.00 52.86 51.83 2ysx s ASN 13 Cb 0.11 -1.75 -0.02 0.00 -0.55 0.00 0.00 41.25 39.04 2ysx s ASN 13 CO 0.17 -0.31 0.18 0.45 -2.79 0.00 0.00 177.10 174.80 2ysx h HIS 14 N 8.04 -0.13 -0.47 0.43 3.86 -0.87 -3.48 115.15 122.52 2ysx h HIS 14 Ca -0.20 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2ysx h HIS 14 Cb 1.06 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2ysx h HIS 14 CO 0.60 -0.08 -0.12 0.41 0.86 0.00 0.00 177.93 179.60 2ysx n GLY 15 N 1.39 -3.01 3.96 2.45 0.00 -1.20 -4.88 105.19 103.90 2ysx n GLY 15 Ca -0.02 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 2ysx n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ysx n ASN 16 N -1.48 -1.92 -4.20 1.61 5.15 -1.26 -4.72 115.26 108.43 2ysx n ASN 16 Ca 0.00 -1.09 -0.19 0.00 -0.60 0.00 0.00 54.58 52.70 2ysx n ASN 16 Cb 0.05 -2.72 -0.12 0.00 -0.53 0.00 0.00 39.78 36.45 2ysx n ASN 16 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2ysx s ILE 17 N -3.84 1.23 0.85 -1.44 -4.36 -1.26 -5.01 121.20 107.38 2ysx s ILE 17 Ca 0.19 -1.43 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 2ysx s ILE 17 Cb -0.08 -1.24 0.10 0.00 1.25 0.00 0.00 42.46 42.49 2ysx s ILE 17 CO 0.91 -0.25 1.09 0.28 0.24 0.00 0.00 174.94 177.21 2ysx s THR 18 N -1.46 2.89 0.01 8.37 -1.32 -1.26 -4.81 115.64 118.05 2ysx s THR 18 Ca 0.01 0.29 -0.25 0.00 -1.21 0.00 0.00 61.69 60.54 2ysx s THR 18 Cb -0.09 -2.78 -0.16 0.00 -1.51 0.00 0.00 72.50 67.96 2ysx s THR 18 CO 0.03 -0.38 1.19 -0.09 -2.21 0.00 0.00 174.62 173.16 2ysx h ARG 19 N -1.40 -0.47 -1.14 7.08 2.43 -2.00 -2.84 114.38 116.04 2ysx h ARG 19 Ca -0.47 0.03 0.33 0.00 -0.81 0.00 0.00 59.98 59.06 2ysx h ARG 19 Cb 1.27 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.87 2ysx h ARG 19 CO 0.54 -0.16 0.81 1.03 -1.51 0.00 0.00 179.97 180.68 2ysx h SER 20 N -0.84 0.06 -0.06 -3.80 0.87 -2.00 0.14 113.55 107.91 2ysx h SER 20 Ca -0.05 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2ysx h SER 20 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2ysx h SER 20 CO 0.08 0.01 -0.06 0.50 -0.53 0.00 0.00 176.83 176.83 2ysx h LYS 21 N 0.05 0.15 0.00 2.24 1.63 -1.90 0.75 116.57 119.49 2ysx h LYS 21 Ca 0.56 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.28 2ysx h LYS 21 Cb 2.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.76 2ysx h LYS 21 CO -0.04 0.59 0.09 0.00 -3.45 0.00 0.00 179.45 176.64 2ysx h ALA 22 N 0.56 1.09 0.00 5.00 0.00 -0.51 -1.55 119.26 123.85 2ysx h ALA 22 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2ysx h ALA 22 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ysx h ALA 22 CO 0.02 -0.09 -0.92 0.39 0.00 0.00 0.00 179.25 178.65 2ysx n GLU 23 N -2.95 0.50 -0.35 0.00 1.02 -0.98 -4.09 120.64 113.80 2ysx n GLU 23 Ca -0.03 0.40 0.25 0.00 -0.02 0.00 0.00 57.16 57.76 2ysx n GLU 23 Cb 0.15 -1.59 0.53 0.00 -0.02 0.00 0.00 31.44 30.51 2ysx n GLU 23 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2ysx h GLU 24 N -1.00 0.33 -0.84 3.49 4.11 -0.70 0.49 114.58 120.46 2ysx h GLU 24 Ca -0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2ysx h GLU 24 Cb 0.85 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 2ysx h GLU 24 CO -0.05 0.22 0.47 -0.07 0.07 0.00 0.00 179.01 179.64 2ysx h LEU 25 N 0.34 1.04 0.00 3.06 3.38 -1.48 -2.11 115.31 119.54 2ysx h LEU 25 Ca 0.64 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 2ysx h LEU 25 Cb 1.70 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2ysx h LEU 25 CO -0.34 0.84 -0.00 -0.07 0.09 0.00 0.00 178.44 178.96 2ysx h LEU 26 N 1.17 -0.00 -0.57 1.67 3.38 -0.34 -3.09 115.31 117.52 2ysx h LEU 26 Ca 0.30 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.47 2ysx h LEU 26 Cb 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 2ysx h LEU 26 CO -0.05 0.91 -0.42 -1.28 0.09 0.00 0.00 178.44 177.70 2ysx h SER 27 N -0.94 -1.43 -0.58 -0.43 0.87 -0.63 0.43 113.55 110.84 2ysx h SER 27 Ca -0.00 0.24 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2ysx h SER 27 Cb 0.89 0.66 -0.05 0.00 -0.44 0.00 0.00 62.40 63.46 2ysx h SER 27 CO 0.00 -0.33 0.30 0.08 -0.53 0.00 0.00 176.83 176.35 2ysx h ARG 28 N -0.22 0.56 -0.67 2.24 0.11 -1.53 -2.31 114.38 112.57 2ysx h ARG 28 Ca 0.19 -0.03 0.14 0.00 0.10 0.00 0.00 59.98 60.37 2ysx h ARG 28 Cb 0.56 -0.13 -0.10 0.00 1.11 0.00 0.00 29.97 31.42 2ysx h ARG 28 CO -0.68 0.37 0.14 1.15 0.10 0.00 0.00 179.97 181.04 2ysx h THR 29 N 0.57 0.56 -6.02 0.08 2.02 -0.86 -3.46 112.91 105.80 2ysx h THR 29 Ca 0.26 -0.09 -0.39 0.00 0.77 0.00 0.00 66.41 66.96 2ysx h THR 29 Cb 0.16 0.29 0.09 0.00 -1.74 0.00 0.00 68.15 66.95 2ysx h THR 29 CO -0.17 0.05 -0.88 0.61 0.37 0.00 0.00 175.52 175.50 2ysx n GLY 30 N -1.34 -0.71 3.11 2.16 0.00 -0.60 -5.01 105.19 102.81 2ysx n GLY 30 Ca 0.11 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 2ysx n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysx s LYS 31 N -5.68 0.67 -0.42 1.61 1.02 -1.26 -5.12 119.74 110.55 2ysx s LYS 31 Ca 0.26 -1.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.07 2ysx s LYS 31 Cb -0.07 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.99 2ysx s LYS 31 CO 0.82 0.02 0.40 -0.51 -0.92 0.00 0.00 175.35 175.16 2ysx s ASP 32 N -2.23 6.17 0.00 2.83 1.11 -1.26 -4.15 116.67 119.13 2ysx s ASP 32 Ca -0.00 -0.77 0.00 0.00 0.18 0.00 0.00 52.55 51.95 2ysx s ASP 32 Cb -0.03 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.75 2ysx s ASP 32 CO -0.02 -0.56 0.00 0.61 1.18 0.00 0.00 175.17 176.39 2ysx n GLY 33 N 5.13 1.79 3.86 0.21 0.00 -1.24 -4.87 105.19 110.08 2ysx n GLY 33 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2ysx n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysx s SER 34 N -2.00 6.71 0.22 1.61 0.01 -1.26 -0.64 113.70 118.35 2ysx s SER 34 Ca 0.00 1.16 -0.20 0.00 1.31 0.00 0.00 55.95 58.22 2ysx s SER 34 Cb 0.00 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.94 2ysx s SER 34 CO 0.00 -0.18 0.62 0.72 0.41 0.00 0.00 173.24 174.81 2ysx s PHE 35 N -1.97 -0.22 -0.05 2.43 -0.71 -1.23 -1.46 117.98 114.77 2ysx s PHE 35 Ca 0.52 -0.13 -0.29 0.00 -1.04 0.00 0.00 56.93 55.98 2ysx s PHE 35 Cb -0.10 0.55 0.10 0.00 -1.21 0.00 0.00 43.02 42.35 2ysx s PHE 35 CO 0.20 -1.03 0.84 -0.48 -1.34 0.00 0.00 175.22 173.40 2ysx s LEU 36 N -2.87 -0.46 0.01 -1.99 0.05 -0.79 -2.34 118.68 110.28 2ysx s LEU 36 Ca 0.09 0.32 0.05 0.00 0.05 0.00 0.00 54.13 54.64 2ysx s LEU 36 Cb -0.03 2.16 -0.03 0.00 -2.05 0.00 0.00 46.19 46.24 2ysx s LEU 36 CO -0.01 -0.56 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.39 2ysx s VAL 37 N -1.99 3.02 0.29 1.48 1.01 0.25 -0.75 120.40 123.70 2ysx s VAL 37 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2ysx s VAL 37 Cb -0.01 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2ysx s VAL 37 CO -0.01 0.42 0.28 0.00 0.00 0.00 0.00 175.10 175.79 2ysx s ARG 38 N -1.23 1.59 -0.35 2.72 1.70 0.16 -0.13 118.95 123.41 2ysx s ARG 38 Ca 0.14 -1.80 -0.14 0.00 -0.47 0.00 0.00 55.73 53.47 2ysx s ARG 38 Cb -0.11 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 2ysx s ARG 38 CO 0.04 -0.59 0.29 0.00 -1.08 0.00 0.00 175.30 173.96 2ysx s ALA 39 N -3.64 3.50 0.42 7.88 0.00 -1.26 -1.39 121.76 127.27 2ysx s ALA 39 Ca 0.37 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.74 2ysx s ALA 39 Cb 0.03 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.30 2ysx s ALA 39 CO 0.20 -1.05 1.03 0.45 0.00 0.00 0.00 175.76 176.39 2ysx n SER 40 N 5.22 1.35 0.06 0.00 2.88 -1.22 -4.47 113.62 117.43 2ysx n SER 40 Ca -0.11 1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 58.43 2ysx n SER 40 Cb 0.49 -1.36 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 2ysx n SER 40 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2ysx h GLU 41 N 1.55 -0.24 -0.50 -1.46 4.57 -1.94 -3.00 114.58 113.56 2ysx h GLU 41 Ca -0.45 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 57.83 2ysx h GLU 41 Cb 1.34 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.88 2ysx h GLU 41 CO 0.57 -0.16 -0.45 0.77 -1.18 0.00 0.00 179.01 178.56 2ysx h SER 42 N -1.01 -1.51 -4.28 1.04 0.02 -2.00 -3.29 113.55 102.52 2ysx h SER 42 Ca -0.03 0.23 -0.64 0.00 -0.84 0.00 0.00 61.79 60.52 2ysx h SER 42 Cb 0.19 0.67 -0.41 0.00 0.14 0.00 0.00 62.40 62.99 2ysx h SER 42 CO 0.04 -0.35 -0.64 -0.63 -1.14 0.00 0.00 176.83 174.11 2ysx s ILE 43 N -5.82 2.49 0.44 3.27 1.01 -1.26 -4.95 121.20 116.37 2ysx s ILE 43 Ca -0.14 -3.27 0.25 0.00 0.00 0.00 0.00 60.65 57.48 2ysx s ILE 43 Cb 0.12 -2.73 0.45 0.00 0.01 0.00 0.00 42.46 40.31 2ysx s ILE 43 CO 0.65 -0.81 1.75 -1.28 0.00 0.00 0.00 174.94 175.26 2ysx h SER 44 N 6.50 0.30 -0.86 3.58 0.87 -1.60 0.48 113.55 122.82 2ysx h SER 44 Ca -0.07 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2ysx h SER 44 Cb 0.89 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.82 2ysx h SER 44 CO 0.67 0.02 0.56 0.03 -0.53 0.00 0.00 176.83 177.58 2ysx h ARG 45 N 0.25 0.95 -7.64 2.24 3.08 -1.93 -3.41 114.38 107.92 2ysx h ARG 45 Ca 0.63 -0.06 -0.45 0.00 0.07 0.00 0.00 59.98 60.17 2ysx h ARG 45 Cb 1.87 -0.21 0.14 0.00 0.08 0.00 0.00 29.97 31.85 2ysx h ARG 45 CO -0.24 0.63 0.36 0.00 -1.07 0.00 0.00 179.97 179.64 2ysx s ALA 46 N -5.86 2.05 0.37 0.04 0.00 0.17 -4.93 121.76 113.59 2ysx s ALA 46 Ca -0.11 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2ysx s ALA 46 Cb 0.20 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 2ysx s ALA 46 CO 0.79 -2.33 0.07 0.71 0.00 0.00 0.00 175.76 175.00 2ysx s TYR 47 N -3.56 1.92 -0.06 0.00 2.02 -0.88 -3.38 117.35 113.40 2ysx s TYR 47 Ca 0.68 -1.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2ysx s TYR 47 Cb -0.09 -1.28 0.04 0.00 -0.40 0.00 0.00 41.96 40.23 2ysx s TYR 47 CO 0.52 -0.06 0.12 0.00 -1.57 0.00 0.00 175.55 174.56 2ysx s ALA 48 N -3.23 -0.07 -0.27 3.71 0.00 -0.49 -0.13 121.76 121.28 2ysx s ALA 48 Ca 0.30 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 2ysx s ALA 48 Cb 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.59 2ysx s ALA 48 CO 0.14 -0.39 0.01 -1.17 0.00 0.00 0.00 175.76 174.35 2ysx s LEU 49 N 1.84 3.56 0.06 0.00 2.96 -0.84 -0.66 118.68 125.60 2ysx s LEU 49 Ca -0.01 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.01 2ysx s LEU 49 Cb -0.12 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2ysx s LEU 49 CO -0.05 -0.17 0.33 0.00 -1.32 0.00 0.00 176.35 175.14 2ysx s VAL 51 N -1.43 -0.06 -0.22 0.00 1.01 -1.01 -1.89 120.40 116.80 2ysx s VAL 51 Ca 0.33 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 2ysx s VAL 51 Cb -0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2ysx s VAL 51 CO 0.20 0.09 0.54 -0.22 0.00 0.00 0.00 175.10 175.70 2ysx s LEU 52 N 1.12 4.11 -0.24 3.92 2.96 -0.54 0.07 118.68 130.09 2ysx s LEU 52 Ca -0.09 0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2ysx s LEU 52 Cb -0.13 -2.73 0.12 0.00 0.50 0.00 0.00 46.19 43.96 2ysx s LEU 52 CO -0.03 -0.24 0.45 -0.47 -1.32 0.00 0.00 176.35 174.74 2ysx s TYR 53 N 1.93 -0.96 -1.15 5.38 5.04 -0.55 -3.59 117.35 123.44 2ysx s TYR 53 Ca 0.24 1.41 -0.01 0.00 -2.44 0.00 0.00 57.07 56.28 2ysx s TYR 53 Cb -0.15 0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.45 2ysx s TYR 53 CO 0.09 -0.63 0.97 0.54 -1.34 0.00 0.00 175.55 175.18 2ysx n ARG 54 N 5.39 -6.07 -3.99 4.97 1.74 -1.26 -2.41 116.66 115.03 2ysx n ARG 54 Ca -0.06 0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 57.53 2ysx n ARG 54 Cb 0.50 -5.77 0.01 0.00 -1.02 0.00 0.00 32.46 26.18 2ysx n ARG 54 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ysx n ASN 55 N -3.08 -3.85 -3.68 0.55 4.13 -1.26 -4.96 115.26 103.11 2ysx n ASN 55 Ca -0.26 -0.86 -0.11 0.00 1.68 0.00 0.00 54.58 55.03 2ysx n ASN 55 Cb 0.66 -3.54 -0.11 0.00 -1.54 0.00 0.00 39.78 35.25 2ysx n ASN 55 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ysx s VAL 57 N 1.94 4.54 -0.51 0.00 1.01 -1.26 -1.48 120.40 124.63 2ysx s VAL 57 Ca -0.05 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2ysx s VAL 57 Cb -0.11 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.22 2ysx s VAL 57 CO -0.11 0.40 0.29 -0.31 0.00 0.00 0.00 175.10 175.37 2ysx s TYR 58 N -0.41 3.42 0.06 5.22 1.51 0.11 -4.88 117.35 122.37 2ysx s TYR 58 Ca 0.40 -2.87 -0.31 0.00 -1.01 0.00 0.00 57.07 53.29 2ysx s TYR 58 Cb -0.22 -3.04 -0.06 0.00 -0.11 0.00 0.00 41.96 38.53 2ysx s TYR 58 CO 0.26 -0.84 1.21 0.99 -1.11 0.00 0.00 175.55 176.05 2ysx s THR 59 N 0.19 4.02 -0.51 -0.71 2.01 -1.26 -2.40 115.64 116.99 2ysx s THR 59 Ca 0.15 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.63 2ysx s THR 59 Cb -0.22 -3.93 0.15 0.00 0.01 0.00 0.00 72.50 68.51 2ysx s THR 59 CO -0.03 0.10 0.32 -0.31 -0.69 0.00 0.00 174.62 174.01 2ysx s TYR 60 N 1.15 2.38 0.23 4.92 2.02 0.16 -4.93 117.35 123.28 2ysx s TYR 60 Ca 0.59 -2.72 -0.31 0.00 -0.37 0.00 0.00 57.07 54.26 2ysx s TYR 60 Cb -0.29 -2.05 -0.11 0.00 -0.40 0.00 0.00 41.96 39.11 2ysx s TYR 60 CO 0.29 -0.73 1.54 -0.98 -1.57 0.00 0.00 175.55 174.10 2ysx s ARG 61 N -0.21 4.20 -0.38 -0.62 1.70 -1.26 -1.98 118.95 120.40 2ysx s ARG 61 Ca 0.22 2.42 -0.11 0.00 -0.47 0.00 0.00 55.73 57.79 2ysx s ARG 61 Cb -0.15 -3.10 0.03 0.00 -0.57 0.00 0.00 34.95 31.16 2ysx s ARG 61 CO -0.07 -0.56 0.21 0.42 -1.08 0.00 0.00 175.30 174.22 2ysx s ILE 62 N 0.41 4.52 0.01 4.99 1.09 0.81 -3.67 121.20 129.37 2ysx s ILE 62 Ca 0.65 -0.91 -0.11 0.00 -1.10 0.00 0.00 60.65 59.18 2ysx s ILE 62 Cb -0.45 -3.54 -0.05 0.00 -1.06 0.00 0.00 42.46 37.36 2ysx s ILE 62 CO 0.40 -0.25 0.35 -0.76 -0.10 0.00 0.00 174.94 174.58 2ysx s LEU 63 N 1.54 4.40 0.59 2.97 2.01 -1.21 -2.08 118.68 126.90 2ysx s LEU 63 Ca 0.02 0.77 -0.17 0.00 0.01 0.00 0.00 54.13 54.76 2ysx s LEU 63 Cb -0.19 -2.67 -0.03 0.00 0.01 0.00 0.00 46.19 43.31 2ysx s LEU 63 CO 0.06 0.27 1.12 -2.16 1.01 0.00 0.00 176.35 176.66 2ysx s PRO 64 N -1.47 3.12 0.53 1.29 0.04 -1.26 -4.01 135.00 133.24 2ysx s PRO 64 Ca 0.26 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2ysx s PRO 64 Cb -0.15 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2ysx s PRO 64 CO 0.14 -1.02 0.22 0.27 0.04 0.00 0.00 177.00 176.66 2ysx n ASN 65 N -1.78 3.04 -0.33 6.66 0.23 -1.16 -4.93 115.26 116.99 2ysx n ASN 65 Ca 0.11 -3.03 0.33 0.00 -0.53 0.00 0.00 54.58 51.45 2ysx n ASN 65 Cb 0.51 0.14 0.69 0.00 -2.08 0.00 0.00 39.78 39.05 2ysx n ASN 65 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2ysx h GLU 66 N 0.00 0.09 -0.93 -3.83 5.08 -1.97 1.09 114.58 114.11 2ysx h GLU 66 Ca -0.38 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 57.68 2ysx h GLU 66 Cb 1.27 -0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 2ysx h GLU 66 CO 0.61 0.06 0.37 -0.25 -1.00 0.00 0.00 179.01 178.81 2ysx n ASP 67 N -4.30 3.75 -2.36 1.42 9.92 -1.26 -4.87 116.55 118.86 2ysx n ASP 67 Ca 0.26 -3.06 -0.02 0.00 -0.53 0.00 0.00 54.79 51.44 2ysx n ASP 67 Cb 1.18 -0.72 -0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2ysx n ASP 67 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2ysx n ASP 68 N -0.44 -0.92 -4.92 -2.24 2.03 0.38 -4.85 116.55 105.58 2ysx n ASP 68 Ca 0.38 0.38 -0.26 0.00 0.52 0.00 0.00 54.79 55.81 2ysx n ASP 68 Cb 1.27 -0.91 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ysx s LYS 69 N -4.52 3.54 -0.37 -0.67 1.02 -1.26 -4.78 119.74 112.70 2ysx s LYS 69 Ca 0.03 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.79 2ysx s LYS 69 Cb -0.02 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2ysx s LYS 69 CO 0.04 0.03 0.50 -0.06 -0.92 0.00 0.00 175.35 174.93 2ysx s PHE 70 N -2.43 3.17 -0.03 3.18 0.08 -0.84 -3.01 117.98 118.09 2ysx s PHE 70 Ca 0.44 0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.52 2ysx s PHE 70 Cb -0.10 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 2ysx s PHE 70 CO 0.38 -0.60 -0.09 -0.08 -0.10 0.00 0.00 175.22 174.73 2ysx s THR 71 N 2.35 0.77 0.46 0.64 -1.32 -1.26 -3.38 115.64 113.90 2ysx s THR 71 Ca 0.17 -0.34 -0.20 0.00 -1.21 0.00 0.00 61.69 60.11 2ysx s THR 71 Cb -0.16 -0.70 -0.10 0.00 -1.51 0.00 0.00 72.50 70.04 2ysx s THR 71 CO 0.14 0.25 0.99 -0.69 -2.21 0.00 0.00 174.62 173.10 2ysx s VAL 72 N 0.29 4.14 -0.76 5.08 1.01 -1.26 -3.36 120.40 125.53 2ysx s VAL 72 Ca -0.05 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.27 2ysx s VAL 72 Cb -0.09 -3.54 0.25 0.00 0.00 0.00 0.00 36.38 33.00 2ysx s VAL 72 CO 0.01 -0.32 0.90 0.00 0.00 0.00 0.00 175.10 175.69 2ysx n GLN 73 N -0.88 2.92 -0.02 2.72 6.02 -1.24 -4.88 117.38 122.02 2ysx n GLN 73 Ca 0.08 -4.62 -0.00 0.00 -0.01 0.00 0.00 57.00 52.44 2ysx n GLN 73 Cb 0.53 -2.33 -0.00 0.00 1.02 0.00 0.00 30.24 29.46 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ysx h ALA 74 N 4.69 0.00 -4.59 -1.58 0.00 -1.95 -3.46 119.26 112.37 2ysx h ALA 74 Ca 0.19 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.68 2ysx h ALA 74 Cb 0.67 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.59 2ysx h ALA 74 CO 0.94 0.02 0.23 0.43 0.00 0.00 0.00 179.25 180.87 2ysx n SER 75 N -3.30 0.67 -2.73 0.00 7.64 -1.26 -4.95 113.62 109.69 2ysx n SER 75 Ca -0.00 -1.73 -0.28 0.00 1.01 0.00 0.00 58.87 57.87 2ysx n SER 75 Cb 0.01 -0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 2ysx n SER 75 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2ysx n GLU 76 N -3.06 3.03 -1.91 1.43 2.13 -1.26 -4.74 120.64 116.26 2ysx n GLU 76 Ca 0.15 -2.09 -0.01 0.00 0.66 0.00 0.00 57.16 55.86 2ysx n GLU 76 Cb 0.52 -2.36 -0.01 0.00 0.27 0.00 0.00 31.44 29.86 2ysx n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ysx n GLY 77 N 2.25 -3.67 3.50 8.31 0.00 -1.26 -5.10 105.19 109.23 2ysx n GLY 77 Ca 0.57 0.29 -0.04 0.00 0.00 0.00 0.00 46.02 46.84 2ysx n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysx s VAL 78 N -0.35 -0.83 -0.27 1.61 0.11 -1.26 -4.91 120.40 114.49 2ysx s VAL 78 Ca -0.07 0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2ysx s VAL 78 Cb 0.00 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2ysx s VAL 78 CO 0.29 0.03 0.09 -1.20 -3.33 0.00 0.00 175.10 170.97 2ysx n SER 79 N 5.38 -1.08 -4.50 3.54 7.64 -1.26 -4.66 113.62 118.68 2ysx n SER 79 Ca -0.11 0.23 -0.41 0.00 1.01 0.00 0.00 58.87 59.59 2ysx n SER 79 Cb 0.50 -1.05 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 2ysx n SER 79 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ysx n MET 80 N -2.63 0.54 -2.37 1.43 2.81 -1.26 -4.85 117.12 110.79 2ysx n MET 80 Ca 0.02 0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 2ysx n MET 80 Cb 0.47 -2.37 -0.02 0.00 -0.71 0.00 0.00 33.22 30.59 2ysx n MET 80 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2ysx s ARG 81 N 8.25 3.74 -0.15 0.03 0.52 -1.26 -4.98 118.95 125.09 2ysx s ARG 81 Ca 1.17 1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 57.20 2ysx s ARG 81 Cb -0.80 -3.96 -0.00 0.00 0.52 0.00 0.00 34.95 30.70 2ysx s ARG 81 CO 0.41 -1.35 1.00 -0.06 0.02 0.00 0.00 175.30 175.31 2ysx s PHE 82 N 4.94 3.45 0.07 -0.53 0.08 -1.26 -4.80 117.98 119.93 2ysx s PHE 82 Ca 0.59 1.51 0.05 0.00 0.12 0.00 0.00 56.93 59.21 2ysx s PHE 82 Cb -0.15 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 2ysx s PHE 82 CO 0.28 -0.31 -0.05 -0.06 -0.10 0.00 0.00 175.22 174.98 2ysx s PHE 83 N 2.42 2.87 -0.13 0.36 0.40 -1.22 -5.02 117.98 117.67 2ysx s PHE 83 Ca 0.46 -0.08 -0.10 0.00 -0.60 0.00 0.00 56.93 56.61 2ysx s PHE 83 Cb -0.17 -1.52 -0.07 0.00 0.51 0.00 0.00 43.02 41.77 2ysx s PHE 83 CO 0.13 0.43 0.12 1.15 0.70 0.00 0.00 175.22 177.75 2ysx h THR 84 N 3.24 0.42 -3.49 0.64 2.02 -1.96 -2.24 112.91 111.54 2ysx h THR 84 Ca -0.48 -1.36 -0.53 0.00 0.77 0.00 0.00 66.41 64.80 2ysx h THR 84 Cb 1.17 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 2ysx h THR 84 CO 0.55 0.14 -0.03 -0.54 0.37 0.00 0.00 175.52 176.01 2ysx s LYS 85 N -1.92 3.94 0.03 6.66 1.02 -1.26 -4.50 119.74 123.71 2ysx s LYS 85 Ca -0.10 0.49 -0.26 0.00 0.02 0.00 0.00 55.97 56.12 2ysx s LYS 85 Cb 0.01 -2.70 -0.17 0.00 -0.52 0.00 0.00 37.83 34.45 2ysx s LYS 85 CO 0.24 0.33 1.41 1.25 -0.92 0.00 0.00 175.35 177.66 2ysx h LEU 86 N 2.84 -0.22 -0.03 3.17 7.12 -1.94 -2.92 115.31 123.33 2ysx h LEU 86 Ca -0.48 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 57.39 2ysx h LEU 86 Cb 1.18 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 41.32 2ysx h LEU 86 CO 0.67 0.06 -0.21 -0.78 -0.13 0.00 0.00 178.44 178.05 2ysx h ASP 87 N -0.52 -0.63 -0.94 1.25 3.58 -1.99 -1.72 116.42 115.45 2ysx h ASP 87 Ca -0.03 0.09 0.26 0.00 0.42 0.00 0.00 57.03 57.78 2ysx h ASP 87 Cb 0.39 0.27 -0.14 0.00 1.72 0.00 0.00 39.33 41.57 2ysx h ASP 87 CO 0.04 -0.28 0.41 1.56 -2.88 0.00 0.00 179.24 178.10 2ysx h GLN 88 N -0.32 0.30 -0.13 0.28 1.08 -1.97 0.26 115.11 114.60 2ysx h GLN 88 Ca 0.07 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2ysx h GLN 88 Cb 0.42 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2ysx h GLN 88 CO -0.22 0.20 0.04 1.25 -0.95 0.00 0.00 178.83 179.15 2ysx h LEU 89 N 0.31 0.19 -0.92 1.46 6.46 -1.13 -2.00 115.31 119.67 2ysx h LEU 89 Ca 0.63 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 58.16 2ysx h LEU 89 Cb 1.31 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 2ysx h LEU 89 CO -0.60 0.34 0.48 0.40 -0.62 0.00 0.00 178.44 178.44 2ysx h ILE 90 N 0.02 1.26 -0.44 4.05 1.08 -0.19 -2.22 117.51 121.07 2ysx h ILE 90 Ca 0.04 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.83 2ysx h ILE 90 Cb 0.22 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 2ysx h ILE 90 CO -0.00 0.29 0.12 -0.33 -0.69 0.00 0.00 178.15 177.54 2ysx h GLU 91 N 1.25 0.66 0.00 2.37 5.08 -0.49 -1.84 114.58 121.61 2ysx h GLU 91 Ca 0.31 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2ysx h GLU 91 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ysx h GLU 91 CO -0.05 0.59 -0.33 0.35 -1.00 0.00 0.00 179.01 178.57 2ysx h PHE 92 N 0.64 0.00 -0.01 4.33 3.04 -0.76 -2.28 116.94 121.91 2ysx h PHE 92 Ca 0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2ysx h PHE 92 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2ysx h PHE 92 CO 0.01 0.33 -0.14 0.66 -2.02 0.00 0.00 178.31 177.16 2ysx n TYR 93 N -3.72 0.00 0.08 0.41 4.02 -0.73 -3.81 117.16 113.41 2ysx n TYR 93 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.90 2ysx n TYR 93 Cb 0.43 -0.15 0.39 0.00 -0.02 0.00 0.00 39.34 39.99 2ysx n TYR 93 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2ysx h LYS 94 N 0.82 0.35 -6.65 -0.72 1.79 -1.00 -3.35 116.57 107.82 2ysx h LYS 94 Ca 0.00 -0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.85 2ysx h LYS 94 Cb 0.39 -0.06 0.20 0.00 -1.58 0.00 0.00 32.23 31.18 2ysx h LYS 94 CO 0.00 0.40 -0.53 1.63 -1.08 0.00 0.00 179.45 179.86 2ysx n LYS 95 N -4.33 0.12 -1.76 3.15 5.02 -1.25 -4.28 118.16 114.83 2ysx n LYS 95 Ca 0.00 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 2ysx n LYS 95 Cb 0.21 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.44 2ysx n LYS 95 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ysx n GLU 96 N -0.79 2.68 -2.31 1.97 1.02 -1.26 -2.11 120.64 119.84 2ysx n GLU 96 Ca 0.08 0.94 -0.05 0.00 -0.02 0.00 0.00 57.16 58.12 2ysx n GLU 96 Cb 0.51 -2.69 -0.01 0.00 -0.02 0.00 0.00 31.44 29.23 2ysx n GLU 96 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2ysx n ASN 97 N 1.17 -0.86 -3.96 1.62 0.23 -1.26 -4.73 115.26 107.46 2ysx n ASN 97 Ca 0.04 0.17 -0.42 0.00 -0.53 0.00 0.00 54.58 53.84 2ysx n ASN 97 Cb 0.38 -0.83 0.00 0.00 -2.08 0.00 0.00 39.78 37.25 2ysx n ASN 97 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 2ysx n MET 98 N -2.11 3.18 0.00 -3.83 1.56 -0.90 -4.80 117.12 110.23 2ysx n MET 98 Ca 0.01 -3.10 0.00 0.00 -0.27 0.00 0.00 57.70 54.35 2ysx n MET 98 Cb 0.38 -3.19 0.00 0.00 2.15 0.00 0.00 33.22 32.56 2ysx n MET 98 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2ysx n GLY 99 N 3.90 0.97 2.62 -5.12 0.00 -1.26 -4.56 105.19 101.73 2ysx n GLY 99 Ca 0.46 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2ysx n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ysx n LEU 100 N 0.00 -3.38 -0.28 0.99 4.77 -1.26 -4.75 117.00 113.08 2ysx n LEU 100 Ca 0.00 0.46 0.10 0.00 -0.03 0.00 0.00 56.01 56.54 2ysx n LEU 100 Cb 0.00 -0.68 0.24 0.00 -2.33 0.00 0.00 43.42 40.64 2ysx n LEU 100 CO 0.00 -4.13 0.92 1.62 -1.33 0.00 0.00 177.39 174.48 2ysx h VAL 101 N -0.16 0.38 -3.95 4.08 3.04 -1.96 -3.40 116.25 114.28 2ysx h VAL 101 Ca -0.34 -0.07 -0.57 0.00 -1.01 0.00 0.00 66.70 64.71 2ysx h VAL 101 Cb 1.16 0.14 -0.31 0.00 -2.01 0.00 0.00 31.29 30.28 2ysx h VAL 101 CO 0.31 0.04 -0.84 0.28 -1.01 0.00 0.00 177.57 176.35 2ysx s THR 102 N -6.00 1.46 -0.07 3.17 -1.32 -1.26 -4.86 115.64 106.76 2ysx s THR 102 Ca -0.12 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.32 2ysx s THR 102 Cb 0.24 -1.25 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 2ysx s THR 102 CO 0.76 0.42 1.72 -1.38 -2.21 0.00 0.00 174.62 173.94 2ysx s HIS 103 N -0.02 1.85 0.11 9.09 -3.43 -1.26 -4.89 115.29 116.74 2ysx s HIS 103 Ca -0.03 0.16 -0.31 0.00 -0.80 0.00 0.00 55.06 54.09 2ysx s HIS 103 Cb -0.11 -3.98 -0.17 0.00 -1.43 0.00 0.00 32.58 26.89 2ysx s HIS 103 CO 0.02 -3.99 0.69 1.28 -2.00 0.00 0.00 174.74 170.74 2ysx n LEU 104 N 7.61 -0.71 0.07 5.38 4.77 -1.26 -4.84 117.00 128.03 2ysx n LEU 104 Ca 0.18 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 2ysx n LEU 104 Cb 0.43 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2ysx n LEU 104 CO 0.64 -2.40 -0.04 0.00 -1.33 0.00 0.00 177.39 174.26 2ysx n GLN 105 N 1.12 0.00 -4.01 3.23 6.02 0.18 -4.86 117.38 119.05 2ysx n GLN 105 Ca 0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.83 2ysx n GLN 105 Cb 0.17 -0.34 -0.15 0.00 1.02 0.00 0.00 30.24 30.95 2ysx n GLN 105 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2ysx s TYR 106 N -2.00 3.03 -1.06 1.08 2.02 -0.93 -5.03 117.35 114.46 2ysx s TYR 106 Ca 0.00 -1.70 -0.23 0.00 -0.37 0.00 0.00 57.07 54.77 2ysx s TYR 106 Cb 0.00 -2.00 -0.07 0.00 -0.40 0.00 0.00 41.96 39.48 2ysx s TYR 106 CO 0.00 -0.77 1.94 -1.25 -1.57 0.00 0.00 175.55 173.90 2ysx s PRO 107 N 1.28 2.52 -0.77 -1.71 0.04 -1.26 -3.49 135.00 131.61 2ysx s PRO 107 Ca -0.00 -0.79 -0.21 0.00 0.04 0.00 0.00 61.00 60.04 2ysx s PRO 107 Cb -0.16 -5.17 -0.19 0.00 0.04 0.00 0.00 34.50 29.02 2ysx s PRO 107 CO -0.06 -3.72 1.99 0.28 0.04 0.00 0.00 177.00 175.52 2ysx n VAL 108 N 7.84 0.00 -1.46 -0.36 0.31 -0.99 -4.67 118.33 118.99 2ysx n VAL 108 Ca 0.43 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 64.36 2ysx n VAL 108 Cb 0.47 -0.31 0.07 0.00 -0.91 0.00 0.00 33.84 33.16 2ysx n VAL 108 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2ysx s PRO 109 N 6.62 2.48 1.15 5.55 0.04 -1.26 -4.45 135.00 145.13 2ysx s PRO 109 Ca 1.04 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2ysx s PRO 109 Cb -0.91 -1.92 0.21 0.00 0.04 0.00 0.00 34.50 31.93 2ysx s PRO 109 CO 0.39 -1.48 0.61 1.28 0.04 0.00 0.00 177.00 177.83 2ysx n LEU 110 N -3.07 -1.76 -4.39 -3.56 4.77 -1.23 -4.91 117.00 102.85 2ysx n LEU 110 Ca 0.10 -0.14 -0.45 0.00 -0.03 0.00 0.00 56.01 55.49 2ysx n LEU 110 Cb 0.53 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 2ysx n LEU 110 CO 0.51 -3.22 0.72 -0.70 -1.33 0.00 0.00 177.39 173.37 2ysx s GLU 111 N -4.01 3.60 -0.07 3.23 -6.30 -1.26 -5.01 118.70 108.88 2ysx s GLU 111 Ca 0.63 -2.09 0.03 0.00 -2.50 0.00 0.00 54.97 51.04 2ysx s GLU 111 Cb -0.20 -4.69 -0.02 0.00 0.00 0.00 0.00 34.13 29.22 2ysx s GLU 111 CO 0.66 -1.55 -0.13 -1.83 0.02 0.00 0.00 175.26 172.42 2ysx s GLU 112 N 1.51 2.72 -0.57 4.30 -1.05 -1.26 -5.08 118.70 119.26 2ysx s GLU 112 Ca 0.26 -0.68 -0.18 0.00 -0.15 0.00 0.00 54.97 54.21 2ysx s GLU 112 Cb -0.07 -2.45 0.10 0.00 -0.44 0.00 0.00 34.13 31.27 2ysx s GLU 112 CO -0.09 0.53 0.66 -2.00 0.95 0.00 0.00 175.26 175.31 2ysx s GLU 113 N -0.49 3.04 1.25 -4.83 2.56 -1.26 -5.05 118.70 113.91 2ysx s GLU 113 Ca 0.06 -1.36 -0.17 0.00 0.00 0.00 0.00 54.97 53.50 2ysx s GLU 113 Cb -0.12 -4.26 0.30 0.00 2.00 0.00 0.00 34.13 32.06 2ysx s GLU 113 CO 0.02 -1.47 1.02 -0.51 -0.56 0.00 0.00 175.26 173.75 2ysx s ASP 114 N 3.54 0.42 0.00 -1.70 1.01 -1.26 -5.00 116.67 113.69 2ysx s ASP 114 Ca 0.10 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.41 2ysx s ASP 114 Cb -0.25 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.10 2ysx s ASP 114 CO 0.06 -4.48 0.00 1.07 0.21 0.00 0.00 175.17 172.03 2ysx n THR 115 N -5.06 0.00 0.00 -1.27 5.66 -1.26 -5.12 114.28 107.23 2ysx n THR 115 Ca 0.08 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2ysx n THR 115 Cb 0.58 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.19 2ysx n THR 115 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ysx n GLY 116 N 1.25 -0.57 3.63 1.09 0.00 -1.26 -5.10 105.19 104.23 2ysx n GLY 116 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2ysx n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ysx s ASP 117 N -4.00 6.77 0.01 1.61 2.15 -1.26 -5.01 116.67 116.94 2ysx s ASP 117 Ca 0.00 1.00 -0.03 0.00 0.43 0.00 0.00 52.55 53.95 2ysx s ASP 117 Cb 0.00 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 2ysx s ASP 117 CO 0.00 -1.03 0.05 1.51 -0.17 0.00 0.00 175.17 175.52 2ysx s ASP 118 N 2.27 0.11 0.00 -0.34 1.47 -1.26 -5.25 116.67 113.66 2ysx s ASP 118 Ca 0.50 -0.28 0.16 0.00 1.18 0.00 0.00 52.55 54.11 2ysx s ASP 118 Cb -0.13 0.14 0.94 0.00 -0.34 0.00 0.00 42.92 43.53 2ysx s ASP 118 CO 0.21 -0.27 1.35 -0.81 0.68 0.00 0.00 175.17 176.33