#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 6.66 -0.35 1.61 0.15 -1.26 -4.81 113.70 115.70 2ysx s SER 2 Ca 0.00 -1.93 -0.00 0.00 0.70 0.00 0.00 55.95 54.72 2ysx s SER 2 Cb 0.00 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 62.06 2ysx s SER 2 CO 0.00 -1.31 1.87 -1.54 1.20 0.00 0.00 173.24 173.46 2ysx n SER 3 N 8.30 5.70 -0.12 5.45 3.41 -1.26 -4.72 113.62 130.38 2ysx n SER 3 Ca 0.37 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2ysx n SER 3 Cb 0.49 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2ysx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysx n GLY 4 N -0.06 0.81 3.80 5.00 0.00 -1.26 -5.09 105.19 108.40 2ysx n GLY 4 Ca 0.36 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.04 6.70 0.00 1.61 0.15 -1.26 -5.01 113.70 113.86 2ysx s SER 5 Ca 0.00 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2ysx s SER 5 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2ysx s SER 5 CO 0.00 -0.53 0.00 -1.54 1.20 0.00 0.00 173.24 172.37 2ysx n SER 6 N -0.64 0.00 -0.55 5.45 3.41 -1.26 -5.15 113.62 114.87 2ysx n SER 6 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2ysx n SER 6 Cb 0.53 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2ysx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysx n GLY 7 N 3.60 -1.10 0.48 5.00 0.00 -1.26 -4.96 105.19 106.95 2ysx n GLY 7 Ca 0.00 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.39 2ysx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ysx n MET 8 N 1.31 1.39 -3.64 1.61 0.00 -1.26 -4.91 117.12 111.61 2ysx n MET 8 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 57.70 56.41 2ysx n MET 8 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 33.22 31.69 2ysx n MET 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ysx s VAL 9 N -2.28 5.14 0.96 2.03 -7.23 -1.26 -5.09 120.40 112.66 2ysx s VAL 9 Ca 0.27 0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 2ysx s VAL 9 Cb 0.20 -3.62 0.17 0.00 0.56 0.00 0.00 36.38 33.68 2ysx s VAL 9 CO 0.45 0.06 1.09 -2.16 -0.31 0.00 0.00 175.10 174.24 2ysx s PRO 10 N -2.56 0.72 0.00 4.82 0.04 -1.26 -5.01 135.00 131.75 2ysx s PRO 10 Ca 0.40 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2ysx s PRO 10 Cb -0.12 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2ysx s PRO 10 CO 0.23 -2.56 0.00 0.00 0.04 0.00 0.00 177.00 174.72 2ysx h TRP 12 N 0.00 0.36 -3.33 0.00 5.08 -1.82 -3.34 115.95 112.90 2ysx h TRP 12 Ca 0.00 0.01 -0.76 0.00 1.08 0.00 0.00 58.89 59.21 2ysx h TRP 12 Cb 0.67 -0.12 -0.25 0.00 -3.00 0.00 0.00 29.16 26.46 2ysx h TRP 12 CO 0.00 0.18 -0.15 0.54 -1.28 0.00 0.00 178.44 177.73 2ysx s ASN 13 N -6.34 6.30 0.03 0.11 4.22 -1.26 -1.23 114.94 116.77 2ysx s ASN 13 Ca -0.07 -2.08 -0.28 0.00 -2.14 0.00 0.00 52.86 48.29 2ysx s ASN 13 Cb 0.19 -2.19 -0.15 0.00 1.28 0.00 0.00 41.25 40.38 2ysx s ASN 13 CO 0.74 -0.75 1.28 0.45 -2.04 0.00 0.00 177.10 176.77 2ysx h HIS 14 N 8.49 -0.92 0.00 1.54 3.86 -1.53 -3.47 115.15 123.12 2ysx h HIS 14 Ca -0.17 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2ysx h HIS 14 Cb 1.08 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.85 2ysx h HIS 14 CO 0.81 -0.57 0.00 0.41 0.86 0.00 0.00 177.93 179.44 2ysx n GLY 15 N -1.11 0.38 3.56 2.45 0.00 -1.23 -4.98 105.19 104.25 2ysx n GLY 15 Ca -0.12 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 2ysx n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ysx s ASN 16 N -4.00 4.10 0.15 1.61 -0.87 -1.26 -0.82 114.94 113.85 2ysx s ASN 16 Ca 0.00 -0.03 0.07 0.00 -1.57 0.00 0.00 52.86 51.33 2ysx s ASN 16 Cb 0.00 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.64 2ysx s ASN 16 CO 0.00 -3.67 -0.15 0.27 -2.57 0.00 0.00 177.10 170.97 2ysx s ILE 17 N 13.98 1.54 0.64 0.60 -4.36 -1.26 -4.96 121.20 127.38 2ysx s ILE 17 Ca 0.89 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 59.29 2ysx s ILE 17 Cb -0.12 -1.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 2ysx s ILE 17 CO 0.07 -0.43 1.04 0.28 0.24 0.00 0.00 174.94 176.15 2ysx s THR 18 N -2.30 4.34 0.21 8.37 -1.32 -1.26 -4.84 115.64 118.85 2ysx s THR 18 Ca 0.14 0.82 -0.14 0.00 -1.21 0.00 0.00 61.69 61.30 2ysx s THR 18 Cb -0.04 -3.62 0.24 0.00 -1.51 0.00 0.00 72.50 67.57 2ysx s THR 18 CO 0.05 -0.94 1.62 -0.09 -2.21 0.00 0.00 174.62 173.05 2ysx h ARG 19 N -0.31 -0.01 0.36 7.08 2.43 -2.01 -2.03 114.38 119.90 2ysx h ARG 19 Ca -0.44 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2ysx h ARG 19 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2ysx h ARG 19 CO 0.59 -0.00 -0.25 0.66 -1.51 0.00 0.00 179.97 179.46 2ysx h SER 20 N -0.01 -0.63 -1.15 -3.80 4.64 -1.99 -2.31 113.55 108.30 2ysx h SER 20 Ca 0.31 0.04 0.41 0.00 -0.47 0.00 0.00 61.79 62.08 2ysx h SER 20 Cb 0.47 0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 62.62 2ysx h SER 20 CO -0.66 -0.36 0.72 1.17 -0.87 0.00 0.00 176.83 176.82 2ysx n LYS 21 N -3.83 -0.04 0.04 4.77 3.00 -0.97 0.12 118.16 121.24 2ysx n LYS 21 Ca -0.07 1.13 -0.13 0.00 -0.00 0.00 0.00 58.31 59.25 2ysx n LYS 21 Cb 0.24 -2.19 -0.09 0.00 0.00 0.00 0.00 35.03 33.00 2ysx n LYS 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ysx h ALA 22 N 1.48 -0.09 0.26 3.14 0.00 -0.86 -2.82 119.26 120.37 2ysx h ALA 22 Ca 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2ysx h ALA 22 Cb 2.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.24 2ysx h ALA 22 CO -0.47 -0.38 -0.13 0.93 0.00 0.00 0.00 179.25 179.21 2ysx h GLU 23 N -0.44 -0.34 -0.98 0.00 5.08 0.14 -3.12 114.58 114.92 2ysx h GLU 23 Ca -0.01 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.64 2ysx h GLU 23 Cb 0.38 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.53 2ysx h GLU 23 CO 0.02 0.02 0.04 1.49 -1.00 0.00 0.00 179.01 179.57 2ysx h GLU 24 N -0.85 0.01 -0.52 2.33 4.57 -0.38 1.60 114.58 121.34 2ysx h GLU 24 Ca -0.04 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2ysx h GLU 24 Cb 0.51 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2ysx h GLU 24 CO 0.06 0.01 0.26 -0.07 -1.18 0.00 0.00 179.01 178.09 2ysx h LEU 25 N 0.01 0.65 0.24 1.64 3.38 -1.52 -1.72 115.31 117.99 2ysx h LEU 25 Ca 0.60 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 2ysx h LEU 25 Cb 1.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2ysx h LEU 25 CO -0.92 0.55 -0.12 -0.07 0.09 0.00 0.00 178.44 177.98 2ysx h LEU 26 N 0.73 -0.28 -0.79 1.67 3.38 0.23 -3.24 115.31 117.01 2ysx h LEU 26 Ca 0.18 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.32 2ysx h LEU 26 Cb 0.06 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2ysx h LEU 26 CO -0.03 0.02 -0.20 0.77 0.09 0.00 0.00 178.44 179.09 2ysx h SER 27 N -0.76 -0.74 -0.34 -0.43 4.64 -0.92 -1.66 113.55 113.34 2ysx h SER 27 Ca -0.03 0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2ysx h SER 27 Cb 0.25 0.49 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 2ysx h SER 27 CO 0.05 -0.26 -0.31 0.03 -0.87 0.00 0.00 176.83 175.47 2ysx h ARG 28 N 0.00 -0.13 -0.88 4.77 3.08 -1.42 -1.06 114.38 118.74 2ysx h ARG 28 Ca 0.38 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.59 2ysx h ARG 28 Cb 0.58 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.51 2ysx h ARG 28 CO -0.82 -0.09 -0.34 1.15 -1.07 0.00 0.00 179.97 178.81 2ysx h THR 29 N -0.14 0.06 -4.37 2.04 2.02 -1.33 -3.45 112.91 107.75 2ysx h THR 29 Ca 0.06 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.97 2ysx h THR 29 Cb 0.29 0.06 0.10 0.00 -1.74 0.00 0.00 68.15 66.86 2ysx h THR 29 CO -0.39 0.00 -0.48 0.61 0.37 0.00 0.00 175.52 175.63 2ysx n GLY 30 N -1.49 -0.08 3.57 2.16 0.00 -0.41 -5.03 105.19 103.91 2ysx n GLY 30 Ca 0.10 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.70 1.95 -0.76 1.61 1.02 -1.26 -5.05 119.74 111.56 2ysx s LYS 31 Ca 0.32 -1.75 -0.02 0.00 0.02 0.00 0.00 55.97 54.53 2ysx s LYS 31 Cb -0.14 -1.87 0.29 0.00 -0.52 0.00 0.00 37.83 35.58 2ysx s LYS 31 CO 0.50 0.22 2.20 -0.40 -0.92 0.00 0.00 175.35 176.95 2ysx n ASP 32 N -0.83 7.30 0.00 2.83 5.75 -1.26 -4.16 116.55 126.18 2ysx n ASP 32 Ca -0.05 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.03 2ysx n ASP 32 Cb 0.62 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2ysx n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ysx n GLY 33 N -0.22 0.00 3.82 6.12 0.00 -1.25 -4.95 105.19 108.70 2ysx n GLY 33 Ca 0.53 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 7.00 0.18 1.61 0.01 -1.25 -2.62 113.70 118.64 2ysx s SER 34 Ca 0.00 1.26 -0.15 0.00 1.31 0.00 0.00 55.95 58.37 2ysx s SER 34 Cb 0.00 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2ysx s SER 34 CO 0.00 0.15 0.45 0.72 0.41 0.00 0.00 173.24 174.98 2ysx s PHE 35 N -1.34 0.01 0.09 2.43 -0.71 -1.26 -0.29 117.98 116.91 2ysx s PHE 35 Ca 0.36 -0.35 -0.26 0.00 -1.04 0.00 0.00 56.93 55.64 2ysx s PHE 35 Cb -0.17 0.27 0.09 0.00 -1.21 0.00 0.00 43.02 41.99 2ysx s PHE 35 CO 0.20 -0.85 1.12 -0.48 -1.34 0.00 0.00 175.22 173.87 2ysx s LEU 36 N -2.89 -0.06 -0.01 -1.99 0.05 0.41 -3.08 118.68 111.11 2ysx s LEU 36 Ca 0.11 -0.39 0.04 0.00 0.05 0.00 0.00 54.13 53.94 2ysx s LEU 36 Cb 0.00 1.81 -0.01 0.00 -2.05 0.00 0.00 46.19 45.94 2ysx s LEU 36 CO -0.03 -0.68 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.26 2ysx s VAL 37 N -2.52 1.05 0.06 1.48 1.01 -0.37 0.87 120.40 121.98 2ysx s VAL 37 Ca 0.18 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2ysx s VAL 37 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2ysx s VAL 37 CO 0.01 0.29 -0.21 0.00 0.00 0.00 0.00 175.10 175.20 2ysx s ARG 38 N -0.32 1.32 -0.72 2.72 1.70 0.45 -2.06 118.95 122.04 2ysx s ARG 38 Ca 0.05 -0.99 -0.27 0.00 -0.47 0.00 0.00 55.73 54.05 2ysx s ARG 38 Cb -0.05 -1.47 0.03 0.00 -0.57 0.00 0.00 34.95 32.88 2ysx s ARG 38 CO -0.00 0.37 1.28 0.00 -1.08 0.00 0.00 175.30 175.87 2ysx s ALA 39 N -0.88 2.76 -0.60 7.88 0.00 -0.00 -0.08 121.76 130.83 2ysx s ALA 39 Ca 0.07 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 50.48 2ysx s ALA 39 Cb -0.09 -4.24 -0.05 0.00 0.00 0.00 0.00 23.12 18.75 2ysx s ALA 39 CO 0.02 -3.23 2.08 -1.12 0.00 0.00 0.00 175.76 173.51 2ysx s SER 40 N 3.75 4.90 0.23 0.00 0.01 -0.45 -4.53 113.70 117.61 2ysx s SER 40 Ca 0.37 0.49 -0.08 0.00 1.31 0.00 0.00 55.95 58.04 2ysx s SER 40 Cb -0.08 -2.52 0.20 0.00 0.21 0.00 0.00 66.02 63.83 2ysx s SER 40 CO 0.16 -2.66 1.87 1.05 0.41 0.00 0.00 173.24 174.07 2ysx h GLU 41 N 16.12 1.20 -0.91 12.44 4.11 -1.92 -3.07 114.58 142.55 2ysx h GLU 41 Ca -0.21 -0.12 0.10 0.00 0.07 0.00 0.00 59.36 59.20 2ysx h GLU 41 Cb 1.18 -0.25 -0.12 0.00 0.50 0.00 0.00 28.75 30.06 2ysx h GLU 41 CO 1.19 0.86 -0.47 0.43 0.07 0.00 0.00 179.01 181.09 2ysx n SER 42 N -4.39 -0.82 -4.80 3.06 7.64 -1.26 -4.44 113.62 108.60 2ysx n SER 42 Ca 0.09 1.60 -0.25 0.00 1.01 0.00 0.00 58.87 61.32 2ysx n SER 42 Cb 0.07 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 2ysx n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ysx s ILE 43 N -5.61 4.46 0.15 0.44 1.09 -1.16 -5.11 121.20 115.46 2ysx s ILE 43 Ca -0.11 -1.18 -0.22 0.00 -1.10 0.00 0.00 60.65 58.04 2ysx s ILE 43 Cb 0.13 -3.31 -0.08 0.00 -1.06 0.00 0.00 42.46 38.14 2ysx s ILE 43 CO 0.59 -0.18 0.69 -0.44 -0.10 0.00 0.00 174.94 175.51 2ysx s SER 44 N -3.31 7.18 -1.48 3.58 0.01 -1.26 -3.86 113.70 114.57 2ysx s SER 44 Ca 0.31 1.45 -0.03 0.00 1.31 0.00 0.00 55.95 58.99 2ysx s SER 44 Cb -0.09 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.72 2ysx s SER 44 CO 0.24 0.18 0.32 0.54 0.41 0.00 0.00 173.24 174.93 2ysx n ARG 45 N 1.36 -3.34 -5.04 12.44 3.00 -1.26 -4.73 116.66 119.09 2ysx n ARG 45 Ca -0.06 0.81 -0.29 0.00 -0.01 0.00 0.00 57.85 58.30 2ysx n ARG 45 Cb 0.50 -5.55 -0.15 0.00 0.00 0.00 0.00 32.46 27.26 2ysx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ysx s ALA 46 N -3.00 1.95 0.29 7.54 0.00 -1.25 -3.76 121.76 123.54 2ysx s ALA 46 Ca 0.19 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2ysx s ALA 46 Cb -0.09 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2ysx s ALA 46 CO 0.23 0.47 0.03 0.66 0.00 0.00 0.00 175.76 177.16 2ysx n TYR 47 N 2.29 0.49 -3.39 0.00 4.02 0.02 -1.34 117.16 119.25 2ysx n TYR 47 Ca -0.16 -1.58 -0.12 0.00 -0.01 0.00 0.00 57.90 56.03 2ysx n TYR 47 Cb 0.52 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.62 2ysx n TYR 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ysx s ALA 48 N -2.60 -0.84 -0.53 -0.72 0.00 0.88 -0.14 121.76 117.81 2ysx s ALA 48 Ca 0.05 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 2ysx s ALA 48 Cb 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2ysx s ALA 48 CO 0.03 -1.29 0.91 -1.17 0.00 0.00 0.00 175.76 174.25 2ysx s LEU 49 N 2.48 4.15 0.15 0.00 2.96 0.80 -0.41 118.68 128.80 2ysx s LEU 49 Ca 0.11 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 2ysx s LEU 49 Cb -0.15 -2.85 -0.07 0.00 0.50 0.00 0.00 46.19 43.62 2ysx s LEU 49 CO -0.16 -1.17 0.53 0.00 -1.32 0.00 0.00 176.35 174.23 2ysx s VAL 51 N -1.50 -0.16 0.05 0.00 1.01 -0.15 -0.44 120.40 119.21 2ysx s VAL 51 Ca 0.38 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 2ysx s VAL 51 Cb -0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 2ysx s VAL 51 CO 0.19 0.05 0.78 -0.22 0.00 0.00 0.00 175.10 175.90 2ysx s LEU 52 N 2.21 4.45 -0.29 3.92 2.96 0.60 -0.43 118.68 132.09 2ysx s LEU 52 Ca 0.04 1.47 -0.15 0.00 -0.22 0.00 0.00 54.13 55.27 2ysx s LEU 52 Cb -0.13 -3.26 0.15 0.00 0.50 0.00 0.00 46.19 43.45 2ysx s LEU 52 CO -0.06 -0.00 0.93 -0.47 -1.32 0.00 0.00 176.35 175.44 2ysx s TYR 53 N -0.01 -0.72 -1.32 5.38 6.14 -0.13 -3.76 117.35 122.94 2ysx s TYR 53 Ca 0.39 1.33 -0.04 0.00 0.64 0.00 0.00 57.07 59.39 2ysx s TYR 53 Cb -0.21 0.43 0.02 0.00 0.42 0.00 0.00 41.96 42.62 2ysx s TYR 53 CO 0.23 -0.35 0.92 0.54 0.64 0.00 0.00 175.55 177.53 2ysx n ARG 54 N 4.41 -6.07 -3.33 4.97 5.12 -1.26 -1.55 116.66 118.96 2ysx n ARG 54 Ca -0.14 0.72 -0.24 0.00 -1.93 0.00 0.00 57.85 56.26 2ysx n ARG 54 Cb 0.55 -5.56 0.03 0.00 -1.16 0.00 0.00 32.46 26.32 2ysx n ARG 54 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ysx n ASN 55 N -3.03 -5.51 -3.75 0.55 3.02 -1.26 -4.98 115.26 100.30 2ysx n ASN 55 Ca -0.18 -0.42 -0.17 0.00 -0.03 0.00 0.00 54.58 53.77 2ysx n ASN 55 Cb 0.63 -4.44 -0.17 0.00 -0.61 0.00 0.00 39.78 35.20 2ysx n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ysx s VAL 57 N 1.41 4.91 -0.66 0.00 1.01 -1.26 -0.95 120.40 124.85 2ysx s VAL 57 Ca -0.05 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 2ysx s VAL 57 Cb -0.13 -4.40 0.04 0.00 0.00 0.00 0.00 36.38 31.89 2ysx s VAL 57 CO -0.03 -0.99 1.15 -0.31 0.00 0.00 0.00 175.10 174.92 2ysx s TYR 58 N 2.45 2.50 -0.36 5.22 1.51 0.43 -4.83 117.35 124.28 2ysx s TYR 58 Ca 0.10 -0.05 -0.22 0.00 -1.01 0.00 0.00 57.07 55.89 2ysx s TYR 58 Cb -0.24 -4.46 0.01 0.00 -0.11 0.00 0.00 41.96 37.16 2ysx s TYR 58 CO 0.07 -1.79 0.74 0.99 -1.11 0.00 0.00 175.55 174.45 2ysx s THR 59 N 4.99 4.79 -0.36 -0.71 2.01 -1.26 -0.97 115.64 124.12 2ysx s THR 59 Ca 0.33 0.81 -0.12 0.00 0.31 0.00 0.00 61.69 63.03 2ysx s THR 59 Cb -0.10 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2ysx s THR 59 CO 0.17 -0.38 0.23 -0.31 -0.69 0.00 0.00 174.62 173.64 2ysx s TYR 60 N 2.97 3.22 -0.02 4.92 2.02 0.26 -4.93 117.35 125.79 2ysx s TYR 60 Ca 0.29 -0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 2ysx s TYR 60 Cb -0.14 -2.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 2ysx s TYR 60 CO 0.16 -0.50 1.29 1.03 -1.57 0.00 0.00 175.55 175.96 2ysx s ARG 61 N 1.65 4.32 -0.41 -0.62 1.81 -1.26 -0.14 118.95 124.30 2ysx s ARG 61 Ca 0.05 1.81 -0.04 0.00 -1.72 0.00 0.00 55.73 55.83 2ysx s ARG 61 Cb -0.18 -3.55 0.11 0.00 -0.45 0.00 0.00 34.95 30.88 2ysx s ARG 61 CO 0.09 -0.50 0.22 0.42 -0.68 0.00 0.00 175.30 174.85 2ysx s ILE 62 N 2.22 3.45 0.18 1.52 1.01 0.80 -2.27 121.20 128.11 2ysx s ILE 62 Ca 0.60 -1.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.22 2ysx s ILE 62 Cb -0.28 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 2ysx s ILE 62 CO 0.24 -0.67 0.45 -0.76 0.00 0.00 0.00 174.94 174.21 2ysx s LEU 63 N 1.19 4.22 0.06 2.97 1.43 -1.19 -0.80 118.68 126.57 2ysx s LEU 63 Ca 0.07 0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 53.61 2ysx s LEU 63 Cb -0.23 -3.48 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 2ysx s LEU 63 CO -0.03 -0.00 1.40 -2.16 0.23 0.00 0.00 176.35 175.78 2ysx s PRO 64 N -2.72 4.30 0.49 1.29 0.04 -1.25 -3.69 135.00 133.47 2ysx s PRO 64 Ca 0.44 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.58 2ysx s PRO 64 Cb -0.12 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.04 2ysx s PRO 64 CO 0.23 -0.50 0.51 1.21 0.04 0.00 0.00 177.00 178.49 2ysx s ASN 65 N 1.49 5.05 0.69 6.66 2.47 0.19 -4.90 114.94 126.60 2ysx s ASN 65 Ca 0.65 -0.85 -0.15 0.00 0.42 0.00 0.00 52.86 52.92 2ysx s ASN 65 Cb -0.34 -0.12 -0.13 0.00 -1.45 0.00 0.00 41.25 39.20 2ysx s ASN 65 CO 0.29 -0.95 -0.46 -0.62 -3.72 0.00 0.00 177.10 171.64 2ysx n GLU 66 N -1.82 0.00 -2.60 0.43 1.02 -1.26 -0.84 120.64 115.58 2ysx n GLU 66 Ca 0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.03 2ysx n GLU 66 Cb 0.62 -0.87 -0.00 0.00 -0.02 0.00 0.00 31.44 31.16 2ysx n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ysx n ASP 67 N 2.70 -4.76 -3.85 1.62 9.92 -1.26 -1.30 116.55 119.63 2ysx n ASP 67 Ca 0.02 0.01 -0.30 0.00 -0.53 0.00 0.00 54.79 53.99 2ysx n ASP 67 Cb 0.46 -3.97 -0.01 0.00 -0.64 0.00 0.00 41.12 36.95 2ysx n ASP 67 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ysx n ASP 68 N -2.01 -3.61 -4.93 -2.24 8.00 -0.62 -4.93 116.55 106.21 2ysx n ASP 68 Ca -0.16 -0.73 -0.26 0.00 0.71 0.00 0.00 54.79 54.35 2ysx n ASP 68 Cb 0.63 -2.96 0.07 0.00 -0.02 0.00 0.00 41.12 38.83 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ysx s LYS 69 N -6.53 2.26 -0.13 -1.24 -0.14 -0.02 -4.82 119.74 109.12 2ysx s LYS 69 Ca 0.60 -0.22 0.03 0.00 -1.36 0.00 0.00 55.97 55.02 2ysx s LYS 69 Cb -0.32 -2.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.66 2ysx s LYS 69 CO 0.74 -1.20 -0.22 -0.06 -0.76 0.00 0.00 175.35 173.86 2ysx s PHE 70 N -3.23 2.66 0.06 3.18 0.40 -1.02 -0.63 117.98 119.40 2ysx s PHE 70 Ca 0.60 -1.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 2ysx s PHE 70 Cb -0.11 -1.80 0.01 0.00 0.51 0.00 0.00 43.02 41.63 2ysx s PHE 70 CO 0.45 -0.56 0.24 -0.08 0.70 0.00 0.00 175.22 175.97 2ysx s THR 71 N 0.73 0.11 -0.07 0.64 -1.32 -1.24 -2.61 115.64 111.87 2ysx s THR 71 Ca -0.09 -0.88 -0.21 0.00 -1.21 0.00 0.00 61.69 59.30 2ysx s THR 71 Cb -0.16 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 2ysx s THR 71 CO 0.00 -0.48 0.61 -0.69 -2.21 0.00 0.00 174.62 171.85 2ysx s VAL 72 N -2.98 5.07 -1.03 5.08 1.01 -1.26 -3.19 120.40 123.10 2ysx s VAL 72 Ca -0.02 1.25 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 2ysx s VAL 72 Cb 0.01 -3.95 0.21 0.00 0.00 0.00 0.00 36.38 32.65 2ysx s VAL 72 CO -0.06 0.30 2.21 0.00 0.00 0.00 0.00 175.10 177.55 2ysx n GLN 73 N 3.58 4.33 -2.56 2.72 6.02 -0.96 -4.93 117.38 125.57 2ysx n GLN 73 Ca -0.04 -3.72 -0.41 0.00 -0.01 0.00 0.00 57.00 52.82 2ysx n GLN 73 Cb 0.51 -2.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.28 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ysx s ALA 74 N -2.70 3.32 -0.15 -1.58 0.00 -1.26 -4.86 121.76 114.53 2ysx s ALA 74 Ca 0.49 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 2ysx s ALA 74 Cb 0.25 -3.36 -0.24 0.00 0.00 0.00 0.00 23.12 19.77 2ysx s ALA 74 CO -0.17 -0.23 0.47 0.66 0.00 0.00 0.00 175.76 176.49 2ysx h SER 75 N 5.89 0.16 0.59 0.00 4.64 -1.99 -3.39 113.55 119.44 2ysx h SER 75 Ca -0.43 -0.76 -0.02 0.00 -0.47 0.00 0.00 61.79 60.12 2ysx h SER 75 Cb 1.21 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2ysx h SER 75 CO 0.75 1.46 -0.44 -0.08 -0.87 0.00 0.00 176.83 177.64 2ysx h GLU 76 N -0.69 -0.96 -6.99 4.77 4.81 -2.03 -3.43 114.58 110.05 2ysx h GLU 76 Ca -0.26 0.07 -0.55 0.00 -0.13 0.00 0.00 59.36 58.48 2ysx h GLU 76 Cb 1.45 0.22 0.18 0.00 0.63 0.00 0.00 28.75 31.22 2ysx h GLU 76 CO -0.05 -0.64 0.16 0.41 -0.73 0.00 0.00 179.01 178.16 2ysx n GLY 77 N -1.55 -0.30 2.95 1.92 0.00 -1.26 -4.98 105.19 101.96 2ysx n GLY 77 Ca -0.13 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.80 3.01 0.12 1.61 0.11 -1.26 -4.93 120.40 117.26 2ysx s VAL 78 Ca 0.74 -3.91 -0.25 0.00 -2.93 0.00 0.00 61.98 55.64 2ysx s VAL 78 Cb -0.34 -2.99 0.08 0.00 -1.53 0.00 0.00 36.38 31.60 2ysx s VAL 78 CO 0.49 -0.95 1.10 -0.44 -3.33 0.00 0.00 175.10 171.98 2ysx s SER 79 N -0.89 -0.03 -0.30 3.54 0.01 -1.26 -5.17 113.70 109.60 2ysx s SER 79 Ca 0.22 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 2ysx s SER 79 Cb -0.12 0.40 0.15 0.00 0.21 0.00 0.00 66.02 66.66 2ysx s SER 79 CO -0.11 -0.77 0.73 -0.32 0.41 0.00 0.00 173.24 173.17 2ysx s MET 80 N -2.31 0.50 0.26 12.44 1.75 -1.26 -4.98 119.30 125.69 2ysx s MET 80 Ca 0.21 1.17 0.01 0.00 -1.25 0.00 0.00 55.69 55.83 2ysx s MET 80 Cb -0.01 0.69 -0.05 0.00 2.84 0.00 0.00 34.83 38.30 2ysx s MET 80 CO 0.03 -0.27 0.09 1.03 -0.65 0.00 0.00 175.02 175.24 2ysx s ARG 81 N 2.81 1.40 0.01 4.11 1.81 -1.26 -5.17 118.95 122.66 2ysx s ARG 81 Ca 0.01 -1.75 -0.00 0.00 -1.72 0.00 0.00 55.73 52.26 2ysx s ARG 81 Cb -0.11 -0.31 -0.01 0.00 -0.45 0.00 0.00 34.95 34.07 2ysx s ARG 81 CO -0.19 -0.27 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.09 2ysx s PHE 82 N -3.71 0.09 -0.17 -0.53 0.08 -1.26 -4.61 117.98 107.86 2ysx s PHE 82 Ca 0.37 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 2ysx s PHE 82 Cb 0.08 -0.07 0.08 0.00 -0.57 0.00 0.00 43.02 42.54 2ysx s PHE 82 CO 0.13 -0.07 0.25 -0.06 -0.10 0.00 0.00 175.22 175.37 2ysx s PHE 83 N -0.51 -0.39 0.57 0.36 0.40 -1.07 -4.97 117.98 112.37 2ysx s PHE 83 Ca -0.06 0.64 0.27 0.00 -0.60 0.00 0.00 56.93 57.18 2ysx s PHE 83 Cb -0.04 -0.18 1.62 0.00 0.51 0.00 0.00 43.02 44.94 2ysx s PHE 83 CO -0.00 -0.48 2.15 0.00 0.70 0.00 0.00 175.22 177.59 2ysx h THR 84 N 6.29 0.60 -3.51 0.64 1.03 -1.92 -2.70 112.91 113.35 2ysx h THR 84 Ca -0.16 0.00 -0.68 0.00 -0.01 0.00 0.00 66.41 65.57 2ysx h THR 84 Cb 1.13 0.91 -0.16 0.00 -1.07 0.00 0.00 68.15 68.96 2ysx h THR 84 CO 0.21 0.00 -0.67 -0.54 -0.01 0.00 0.00 175.52 174.51 2ysx s LYS 85 N -4.74 2.76 0.04 0.00 1.02 -1.26 -4.79 119.74 112.77 2ysx s LYS 85 Ca -0.05 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.11 2ysx s LYS 85 Cb 0.16 -2.63 -0.17 0.00 -0.52 0.00 0.00 37.83 34.67 2ysx s LYS 85 CO 0.58 0.65 1.51 1.25 -0.92 0.00 0.00 175.35 178.42 2ysx h LEU 86 N 4.84 -0.13 -0.44 3.17 7.12 -1.96 -3.07 115.31 124.84 2ysx h LEU 86 Ca -0.49 -0.17 0.07 0.00 0.13 0.00 0.00 57.88 57.42 2ysx h LEU 86 Cb 1.18 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 41.28 2ysx h LEU 86 CO 0.54 0.09 0.09 0.44 -0.13 0.00 0.00 178.44 179.47 2ysx h ASP 87 N -0.35 0.01 -0.82 1.25 3.32 -1.96 0.09 116.42 117.96 2ysx h ASP 87 Ca -0.02 0.07 0.24 0.00 0.02 0.00 0.00 57.03 57.35 2ysx h ASP 87 Cb 0.29 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2ysx h ASP 87 CO 0.03 0.04 0.65 1.56 -1.72 0.00 0.00 179.24 179.80 2ysx h GLN 88 N 0.22 0.00 0.00 3.56 4.20 -1.94 0.59 115.11 121.75 2ysx h GLN 88 Ca 0.21 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.72 2ysx h GLN 88 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2ysx h GLN 88 CO -0.28 0.00 -1.05 1.25 -0.67 0.00 0.00 178.83 178.09 2ysx h LEU 89 N 0.00 0.00 -0.63 1.46 6.46 -0.90 -3.05 115.31 118.65 2ysx h LEU 89 Ca 0.39 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 58.01 2ysx h LEU 89 Cb 1.69 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 2ysx h LEU 89 CO -0.00 0.94 -0.50 0.40 -0.62 0.00 0.00 178.44 178.65 2ysx h ILE 90 N 0.00 1.32 -0.02 4.05 1.08 0.61 -2.80 117.51 121.76 2ysx h ILE 90 Ca -0.05 -1.73 -0.19 0.00 -0.39 0.00 0.00 64.86 62.50 2ysx h ILE 90 Cb 1.76 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 37.23 2ysx h ILE 90 CO 0.11 0.53 -0.80 -0.33 -0.69 0.00 0.00 178.15 176.98 2ysx h GLU 91 N 0.37 0.24 0.00 2.37 3.07 -1.41 -3.08 114.58 116.15 2ysx h GLU 91 Ca 0.02 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.61 2ysx h GLU 91 Cb 1.01 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 2ysx h GLU 91 CO 0.09 0.92 -0.20 0.35 -1.40 0.00 0.00 179.01 178.77 2ysx h PHE 92 N 0.15 0.00 -0.93 4.33 3.04 -1.44 -2.67 116.94 119.42 2ysx h PHE 92 Ca -0.04 0.00 -0.46 0.00 3.98 0.00 0.00 57.97 61.46 2ysx h PHE 92 Cb 1.39 0.00 -0.27 0.00 2.56 0.00 0.00 35.95 39.63 2ysx h PHE 92 CO 0.03 0.20 0.58 0.66 -2.02 0.00 0.00 178.31 177.76 2ysx n TYR 93 N -3.47 2.89 0.99 0.41 4.02 -1.07 -4.18 117.16 116.75 2ysx n TYR 93 Ca -0.00 -1.71 0.11 0.00 -0.01 0.00 0.00 57.90 56.29 2ysx n TYR 93 Cb 0.38 -0.89 0.04 0.00 -0.02 0.00 0.00 39.34 38.84 2ysx n TYR 93 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ysx n LYS 94 N -0.94 1.67 -2.53 -0.72 5.02 -1.01 -4.22 118.16 115.43 2ysx n LYS 94 Ca 0.55 -1.38 -0.43 0.00 -2.02 0.00 0.00 58.31 55.03 2ysx n LYS 94 Cb 1.60 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 2ysx n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ysx s LYS 95 N -2.25 3.99 0.17 1.97 2.47 -1.26 -4.59 119.74 120.23 2ysx s LYS 95 Ca 0.22 1.14 -0.07 0.00 -1.56 0.00 0.00 55.97 55.70 2ysx s LYS 95 Cb 0.19 -3.81 0.05 0.00 -1.46 0.00 0.00 37.83 32.79 2ysx s LYS 95 CO 0.45 -1.01 1.50 1.05 0.16 0.00 0.00 175.35 177.50 2ysx h GLU 96 N 8.67 0.77 -0.33 4.03 4.11 -1.95 -2.68 114.58 127.20 2ysx h GLU 96 Ca -0.23 -0.43 0.07 0.00 0.07 0.00 0.00 59.36 58.84 2ysx h GLU 96 Cb 1.08 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 2ysx h GLU 96 CO 1.04 1.05 -0.06 -0.97 0.07 0.00 0.00 179.01 180.14 2ysx h ASN 97 N 0.62 -0.27 -2.81 3.06 -0.73 -1.98 -3.35 115.58 110.13 2ysx h ASN 97 Ca 0.04 0.09 -0.60 0.00 1.87 0.00 0.00 56.30 57.71 2ysx h ASN 97 Cb 1.00 0.19 -0.39 0.00 0.27 0.00 0.00 38.32 39.39 2ysx h ASN 97 CO 0.10 -0.09 -0.83 -0.32 -0.37 0.00 0.00 177.43 175.91 2ysx s MET 98 N -6.21 1.11 0.00 6.67 1.75 -1.21 -5.07 119.30 116.34 2ysx s MET 98 Ca -0.14 -2.04 0.00 0.00 -1.25 0.00 0.00 55.69 52.26 2ysx s MET 98 Cb 0.13 -1.88 0.00 0.00 2.84 0.00 0.00 34.83 35.91 2ysx s MET 98 CO 0.70 -1.27 0.00 0.41 -0.65 0.00 0.00 175.02 174.21 2ysx n GLY 99 N 3.22 4.61 4.01 2.11 0.00 -1.02 -4.70 105.19 113.42 2ysx n GLY 99 Ca 0.18 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2ysx n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ysx s LEU 100 N 0.00 2.94 0.40 0.99 1.43 -1.26 -4.91 118.68 118.26 2ysx s LEU 100 Ca 0.00 -0.56 0.32 0.00 -1.03 0.00 0.00 54.13 52.86 2ysx s LEU 100 Cb 0.00 -1.68 1.31 0.00 0.03 0.00 0.00 46.19 45.85 2ysx s LEU 100 CO 0.00 -1.92 1.31 0.55 0.23 0.00 0.00 176.35 176.52 2ysx n VAL 101 N -2.82 -0.15 -3.72 -1.59 3.14 -1.26 -4.36 118.33 107.58 2ysx n VAL 101 Ca 0.17 1.43 -0.14 0.00 -2.96 0.00 0.00 64.34 62.84 2ysx n VAL 101 Cb 0.61 -2.35 -0.08 0.00 -1.06 0.00 0.00 33.84 30.95 2ysx n VAL 101 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2ysx s THR 102 N -4.85 0.04 -0.05 1.55 -1.32 -1.26 -5.11 115.64 104.64 2ysx s THR 102 Ca -0.06 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 59.78 2ysx s THR 102 Cb 0.25 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 2ysx s THR 102 CO 0.70 -0.19 1.11 -1.38 -2.21 0.00 0.00 174.62 172.65 2ysx s HIS 103 N -1.14 3.40 -0.94 9.09 -3.43 -1.26 -4.88 115.29 116.12 2ysx s HIS 103 Ca -0.12 1.42 -0.24 0.00 -0.80 0.00 0.00 55.06 55.32 2ysx s HIS 103 Cb -0.04 -3.30 -0.24 0.00 -1.43 0.00 0.00 32.58 27.57 2ysx s HIS 103 CO 0.05 -0.77 2.50 1.28 -2.00 0.00 0.00 174.74 175.79 2ysx n LEU 104 N 4.77 0.02 -0.03 5.38 4.77 -1.26 -4.76 117.00 125.89 2ysx n LEU 104 Ca 0.09 -0.18 -0.01 0.00 -0.03 0.00 0.00 56.01 55.88 2ysx n LEU 104 Cb 0.48 -0.90 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2ysx n LEU 104 CO 0.54 -1.11 0.02 1.56 -1.33 0.00 0.00 177.39 177.07 2ysx h GLN 105 N 12.43 -0.04 -4.19 3.23 4.20 -1.84 -3.46 115.11 125.44 2ysx h GLN 105 Ca -0.04 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.16 2ysx h GLN 105 Cb 1.24 0.01 -0.37 0.00 0.30 0.00 0.00 27.48 28.66 2ysx h GLN 105 CO 1.42 -0.03 -0.80 0.71 -0.67 0.00 0.00 178.83 179.47 2ysx s TYR 106 N -1.63 1.42 -0.74 2.96 2.02 -1.14 -5.08 117.35 115.16 2ysx s TYR 106 Ca -0.01 -0.69 -0.26 0.00 -0.37 0.00 0.00 57.07 55.75 2ysx s TYR 106 Cb 0.00 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 2ysx s TYR 106 CO 0.02 -0.49 1.90 -1.25 -1.57 0.00 0.00 175.55 174.15 2ysx s PRO 107 N 1.70 2.59 -0.48 -1.71 0.04 -1.26 -4.06 135.00 131.81 2ysx s PRO 107 Ca 0.04 0.22 -0.46 0.00 0.04 0.00 0.00 61.00 60.84 2ysx s PRO 107 Cb -0.13 -4.68 -0.20 0.00 0.04 0.00 0.00 34.50 29.53 2ysx s PRO 107 CO -0.08 -3.02 1.63 0.28 0.04 0.00 0.00 177.00 175.85 2ysx n VAL 108 N 7.51 0.02 -1.15 -0.36 0.31 -1.18 -4.61 118.33 118.87 2ysx n VAL 108 Ca 0.29 -0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.33 2ysx n VAL 108 Cb 0.50 -0.55 0.19 0.00 -0.91 0.00 0.00 33.84 33.07 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 3.15 0.08 0.76 5.55 0.04 -1.26 -3.71 135.00 139.62 2ysx s PRO 109 Ca 1.05 0.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 2ysx s PRO 109 Cb -1.47 -1.71 0.17 0.00 0.04 0.00 0.00 34.50 31.53 2ysx s PRO 109 CO 0.80 -2.94 1.03 1.28 0.04 0.00 0.00 177.00 177.22 2ysx n LEU 110 N -4.30 0.00 -3.68 -3.56 4.77 -1.26 -4.92 117.00 104.05 2ysx n LEU 110 Ca 0.06 -1.38 -0.27 0.00 -0.03 0.00 0.00 56.01 54.39 2ysx n LEU 110 Cb 0.58 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 2ysx n LEU 110 CO 0.56 -1.18 -0.08 -0.62 -1.33 0.00 0.00 177.39 174.74 2ysx n GLU 111 N -3.12 1.60 -3.50 3.23 4.71 -1.26 -5.07 120.64 117.23 2ysx n GLU 111 Ca 0.14 -4.21 -0.40 0.00 -0.01 0.00 0.00 57.16 52.67 2ysx n GLU 111 Cb 0.49 -2.11 -0.10 0.00 -1.01 0.00 0.00 31.44 28.71 2ysx n GLU 111 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2ysx s GLU 112 N -1.36 3.56 0.45 3.49 -1.05 -1.26 -5.06 118.70 117.47 2ysx s GLU 112 Ca 0.30 -0.54 -0.25 0.00 -0.15 0.00 0.00 54.97 54.32 2ysx s GLU 112 Cb 0.02 -3.79 -0.08 0.00 -0.44 0.00 0.00 34.13 29.84 2ysx s GLU 112 CO -0.14 -0.44 1.41 -1.83 0.95 0.00 0.00 175.26 175.21 2ysx s GLU 113 N 1.81 3.68 -0.19 -4.83 1.03 -1.26 -4.90 118.70 114.03 2ysx s GLU 113 Ca 0.08 2.38 -0.29 0.00 0.03 0.00 0.00 54.97 57.17 2ysx s GLU 113 Cb -0.17 -2.64 -0.03 0.00 -0.80 0.00 0.00 34.13 30.49 2ysx s GLU 113 CO 0.11 -0.81 1.66 0.16 -1.33 0.00 0.00 175.26 175.04 2ysx s ASP 114 N -0.56 6.38 -0.35 0.83 1.47 -1.26 -4.96 116.67 118.22 2ysx s ASP 114 Ca 0.61 1.75 0.01 0.00 1.18 0.00 0.00 52.55 56.10 2ysx s ASP 114 Cb -0.43 -2.53 0.11 0.00 -0.34 0.00 0.00 42.92 39.73 2ysx s ASP 114 CO 0.55 -1.23 0.12 -0.89 0.68 0.00 0.00 175.17 174.40 2ysx s THR 115 N 5.15 1.28 0.00 2.11 2.01 -1.26 -5.08 115.64 119.84 2ysx s THR 115 Ca 0.73 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2ysx s THR 115 Cb -0.27 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2ysx s THR 115 CO 0.30 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 2ysx n GLY 116 N 4.43 -2.06 3.80 4.40 0.00 -1.26 -4.83 105.19 109.66 2ysx n GLY 116 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.09 6.04 0.50 1.61 2.15 -1.26 -4.83 116.67 118.80 2ysx s ASP 117 Ca 0.00 1.88 -0.20 0.00 0.43 0.00 0.00 52.55 54.66 2ysx s ASP 117 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 2ysx s ASP 117 CO 0.00 -0.99 1.09 1.51 -0.17 0.00 0.00 175.17 176.61 2ysx s ASP 118 N -2.38 6.07 0.00 -0.34 -4.77 -1.26 -5.20 116.67 108.78 2ysx s ASP 118 Ca 0.66 2.09 0.16 0.00 -3.30 0.00 0.00 52.55 52.15 2ysx s ASP 118 Cb -0.16 -2.58 0.93 0.00 -1.09 0.00 0.00 42.92 40.02 2ysx s ASP 118 CO 0.29 -0.97 1.34 -0.81 0.70 0.00 0.00 175.17 175.72