#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysx n SER 2 N 0.00 -0.06 -4.18 1.61 2.88 -1.26 -4.70 113.62 107.91 2ysx n SER 2 Ca 0.00 1.52 -0.38 0.00 -1.33 0.00 0.00 58.87 58.68 2ysx n SER 2 Cb 0.00 -0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 62.82 2ysx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ysx n SER 3 N -5.28 -1.62 -3.25 -3.46 7.64 -1.26 -4.83 113.62 101.56 2ysx n SER 3 Ca 0.22 -1.08 0.04 0.00 1.01 0.00 0.00 58.87 59.06 2ysx n SER 3 Cb 0.74 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 2ysx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysx s GLY 4 N -2.99 -0.36 -0.62 0.23 0.00 -1.26 -5.11 107.32 97.21 2ysx s GLY 4 Ca 0.73 2.78 -0.12 0.00 0.00 0.00 0.00 44.72 48.11 2ysx s GLY 4 CO 0.90 3.52 0.54 -0.45 0.00 0.00 0.00 173.10 177.60 2ysx s SER 5 N 2.72 6.16 -0.30 1.64 0.15 -1.26 -4.98 113.70 117.83 2ysx s SER 5 Ca 0.01 -2.19 -0.15 0.00 0.70 0.00 0.00 55.95 54.32 2ysx s SER 5 Cb -0.09 -2.13 0.16 0.00 -1.71 0.00 0.00 66.02 62.25 2ysx s SER 5 CO -0.15 -0.69 0.98 -0.94 1.20 0.00 0.00 173.24 173.65 2ysx s SER 6 N 2.67 -0.57 0.00 5.45 1.04 -1.26 -5.11 113.70 115.91 2ysx s SER 6 Ca 0.09 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2ysx s SER 6 Cb -0.22 1.60 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2ysx s SER 6 CO -0.02 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2ysx n GLY 7 N 4.80 0.69 3.00 7.32 0.00 -1.26 -4.96 105.19 114.78 2ysx n GLY 7 Ca -0.10 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 2ysx n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ysx s MET 8 N 0.00 0.58 0.00 1.61 0.00 -1.26 -5.15 119.30 115.08 2ysx s MET 8 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 55.69 55.38 2ysx s MET 8 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 34.83 34.25 2ysx s MET 8 CO 0.00 0.14 0.05 0.14 0.00 0.00 0.00 175.02 175.36 2ysx s VAL 9 N -0.30 4.52 -0.50 5.16 -7.23 -1.26 -5.05 120.40 115.73 2ysx s VAL 9 Ca 0.01 -0.51 -0.27 0.00 -1.81 0.00 0.00 61.98 59.41 2ysx s VAL 9 Cb -0.04 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2ysx s VAL 9 CO -0.00 0.34 1.79 -2.16 -0.31 0.00 0.00 175.10 174.76 2ysx s PRO 10 N -1.73 2.95 -0.23 4.82 0.04 -1.26 -4.83 135.00 134.76 2ysx s PRO 10 Ca 0.22 0.90 0.14 0.00 0.04 0.00 0.00 61.00 62.31 2ysx s PRO 10 Cb -0.12 -4.29 0.61 0.00 0.04 0.00 0.00 34.50 30.75 2ysx s PRO 10 CO 0.13 -2.33 1.55 0.00 0.04 0.00 0.00 177.00 176.39 2ysx n TRP 12 N -0.36 0.00 -3.18 0.00 4.27 -1.26 -2.92 117.44 113.99 2ysx n TRP 12 Ca 0.28 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.43 2ysx n TRP 12 Cb 1.05 -0.03 -0.02 0.00 -1.36 0.00 0.00 31.31 30.96 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 -2.18 6.74 0.01 -0.67 3.84 -1.26 -0.31 114.94 121.11 2ysx s ASN 13 Ca 0.29 -2.50 -0.27 0.00 0.21 0.00 0.00 52.86 50.60 2ysx s ASN 13 Cb 0.20 -2.28 -0.15 0.00 -0.55 0.00 0.00 41.25 38.47 2ysx s ASN 13 CO 0.40 -0.74 1.11 0.45 -2.79 0.00 0.00 177.10 175.53 2ysx h HIS 14 N 8.11 -0.89 0.00 0.43 3.86 -1.45 -3.49 115.15 121.72 2ysx h HIS 14 Ca 0.13 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2ysx h HIS 14 Cb 1.03 0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.79 2ysx h HIS 14 CO 1.08 -0.55 0.00 0.41 0.86 0.00 0.00 177.93 179.73 2ysx n GLY 15 N -0.68 0.16 3.56 2.45 0.00 -1.22 -4.95 105.19 104.52 2ysx n GLY 15 Ca -0.12 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 2ysx n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ysx s ASN 16 N -4.00 5.96 0.30 1.61 2.47 -1.26 0.17 114.94 120.19 2ysx s ASN 16 Ca 0.00 -0.98 0.11 0.00 0.42 0.00 0.00 52.86 52.41 2ysx s ASN 16 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 2ysx s ASN 16 CO 0.00 -1.99 -0.13 0.27 -3.72 0.00 0.00 177.10 171.53 2ysx s ILE 17 N 6.91 2.53 0.39 -5.21 -4.36 -1.26 -4.97 121.20 115.23 2ysx s ILE 17 Ca 0.54 -2.27 -0.03 0.00 -0.26 0.00 0.00 60.65 58.63 2ysx s ILE 17 Cb -0.04 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 2ysx s ILE 17 CO -0.02 -0.33 0.65 0.28 0.24 0.00 0.00 174.94 175.76 2ysx s THR 18 N -2.52 5.00 0.21 8.37 -1.32 -1.26 -4.86 115.64 119.27 2ysx s THR 18 Ca 0.31 -0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.57 2ysx s THR 18 Cb -0.03 -3.83 0.24 0.00 -1.51 0.00 0.00 72.50 67.37 2ysx s THR 18 CO 0.16 -0.62 1.60 -0.09 -2.21 0.00 0.00 174.62 173.46 2ysx h ARG 19 N 0.75 -0.05 0.12 7.08 2.43 -2.01 0.20 114.38 122.91 2ysx h ARG 19 Ca -0.48 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2ysx h ARG 19 Cb 1.21 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2ysx h ARG 19 CO 0.62 -0.03 -0.27 0.66 -1.51 0.00 0.00 179.97 179.44 2ysx h SER 20 N -0.05 -0.77 -0.12 -3.80 4.64 -1.99 -1.12 113.55 110.35 2ysx h SER 20 Ca 0.31 0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.76 2ysx h SER 20 Cb 0.53 0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 62.87 2ysx h SER 20 CO -0.72 -0.36 -0.16 0.50 -0.87 0.00 0.00 176.83 175.22 2ysx h LYS 21 N -0.49 -0.19 -0.08 4.77 1.63 -1.59 0.14 116.57 120.76 2ysx h LYS 21 Ca 0.03 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2ysx h LYS 21 Cb 0.51 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2ysx h LYS 21 CO -0.15 -0.13 0.19 0.00 -3.45 0.00 0.00 179.45 175.91 2ysx h ALA 22 N 0.84 1.45 0.00 5.00 0.00 -0.40 -2.44 119.26 123.72 2ysx h ALA 22 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ysx h ALA 22 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ysx h ALA 22 CO -0.23 -0.23 -0.12 0.93 0.00 0.00 0.00 179.25 179.60 2ysx h GLU 23 N 0.00 0.00 -1.14 0.00 5.08 0.37 -3.36 114.58 115.53 2ysx h GLU 23 Ca 0.04 0.00 0.42 0.00 -1.00 0.00 0.00 59.36 58.82 2ysx h GLU 23 Cb 0.41 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 2ysx h GLU 23 CO -0.00 0.00 0.70 -0.85 -1.00 0.00 0.00 179.01 177.86 2ysx n GLU 24 N -3.17 -0.04 -0.12 2.33 0.28 0.26 0.13 120.64 120.30 2ysx n GLU 24 Ca -0.02 1.21 -0.05 0.00 -0.16 0.00 0.00 57.16 58.15 2ysx n GLU 24 Cb 0.06 -2.30 0.03 0.00 1.43 0.00 0.00 31.44 30.66 2ysx n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2ysx h LEU 25 N 0.00 0.07 -0.00 -1.84 3.38 -1.60 0.92 115.31 116.24 2ysx h LEU 25 Ca 0.81 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.79 2ysx h LEU 25 Cb 2.43 0.07 0.00 0.00 0.09 0.00 0.00 40.66 43.25 2ysx h LEU 25 CO -0.54 0.07 -0.20 -0.07 0.09 0.00 0.00 178.44 177.79 2ysx h LEU 26 N 0.25 0.18 0.10 1.67 4.07 0.92 -3.29 115.31 119.21 2ysx h LEU 26 Ca 0.19 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.38 2ysx h LEU 26 Cb 0.21 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 2ysx h LEU 26 CO -0.23 0.93 -0.27 0.28 -1.08 0.00 0.00 178.44 178.07 2ysx h SER 27 N -0.55 -0.80 -0.83 -0.43 0.02 -0.98 -0.81 113.55 109.16 2ysx h SER 27 Ca -0.02 0.08 0.27 0.00 -0.84 0.00 0.00 61.79 61.27 2ysx h SER 27 Cb 0.96 0.29 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 2ysx h SER 27 CO 0.04 -0.30 0.16 -2.11 -1.14 0.00 0.00 176.83 173.48 2ysx n ARG 28 N -3.98 -0.06 0.32 3.45 1.85 0.30 -0.43 116.66 118.11 2ysx n ARG 28 Ca -0.05 1.21 -0.13 0.00 -1.00 0.00 0.00 57.85 57.88 2ysx n ARG 28 Cb 0.22 -2.00 -0.06 0.00 -1.05 0.00 0.00 32.46 29.56 2ysx n ARG 28 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2ysx h THR 29 N 0.00 0.00 0.00 8.89 2.02 -1.42 -3.47 112.91 118.93 2ysx h THR 29 Ca 0.57 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.47 2ysx h THR 29 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2ysx h THR 29 CO -0.73 0.00 0.00 0.61 0.37 0.00 0.00 175.52 175.77 2ysx n GLY 30 N -0.53 2.23 3.41 2.16 0.00 0.43 -5.01 105.19 107.89 2ysx n GLY 30 Ca -0.10 -0.51 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 2ysx n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ysx n LYS 31 N 0.00 0.27 -0.76 1.61 5.02 -1.26 -4.79 118.16 118.25 2ysx n LYS 31 Ca 0.00 0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2ysx n LYS 31 Cb 0.00 -1.19 0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2ysx n LYS 31 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2ysx n ASP 32 N 1.86 5.97 -0.14 4.39 5.75 -1.26 -3.51 116.55 129.61 2ysx n ASP 32 Ca 0.15 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.07 2ysx n ASP 32 Cb 0.31 -1.05 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 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 0.63 -0.09 3.78 6.12 0.00 -1.24 -4.78 105.19 109.61 2ysx n GLY 33 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.10 6.49 -0.15 1.61 0.01 -1.23 -1.58 113.70 118.76 2ysx s SER 34 Ca 0.00 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 59.06 2ysx s SER 34 Cb 0.00 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.72 2ysx s SER 34 CO 0.00 -0.68 0.75 0.72 0.41 0.00 0.00 173.24 174.44 2ysx s PHE 35 N -1.70 -0.66 0.35 2.43 -0.71 -1.25 -0.79 117.98 115.65 2ysx s PHE 35 Ca 0.62 1.33 -0.07 0.00 -1.04 0.00 0.00 56.93 57.77 2ysx s PHE 35 Cb -0.23 0.37 0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2ysx s PHE 35 CO 0.28 -0.48 0.57 -0.48 -1.34 0.00 0.00 175.22 173.76 2ysx s LEU 36 N -0.59 0.71 -0.03 -1.99 0.05 -0.92 -2.94 118.68 112.97 2ysx s LEU 36 Ca -0.06 -1.37 0.02 0.00 0.05 0.00 0.00 54.13 52.77 2ysx s LEU 36 Cb -0.02 1.88 0.01 0.00 -2.05 0.00 0.00 46.19 46.01 2ysx s LEU 36 CO 0.05 -1.41 -0.06 -0.69 -0.55 0.00 0.00 176.35 173.70 2ysx s VAL 37 N -2.87 0.54 0.38 1.48 1.01 0.58 -0.72 120.40 120.81 2ysx s VAL 37 Ca 0.26 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2ysx s VAL 37 Cb -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2ysx s VAL 37 CO 0.17 0.19 0.11 0.00 0.00 0.00 0.00 175.10 175.57 2ysx s ARG 38 N 0.40 1.85 -0.30 2.72 1.70 0.03 -1.24 118.95 124.12 2ysx s ARG 38 Ca -0.05 -2.10 -0.08 0.00 -0.47 0.00 0.00 55.73 53.03 2ysx s ARG 38 Cb -0.09 -0.68 0.00 0.00 -0.57 0.00 0.00 34.95 33.61 2ysx s ARG 38 CO 0.00 -0.40 0.11 0.00 -1.08 0.00 0.00 175.30 173.93 2ysx s ALA 39 N -3.25 3.14 0.35 7.88 0.00 0.13 -0.47 121.76 129.54 2ysx s ALA 39 Ca 0.27 -1.43 -0.26 0.00 0.00 0.00 0.00 51.96 50.54 2ysx s ALA 39 Cb 0.04 -2.23 -0.13 0.00 0.00 0.00 0.00 23.12 20.80 2ysx s ALA 39 CO 0.14 -0.91 0.97 0.45 0.00 0.00 0.00 175.76 176.41 2ysx n SER 40 N 4.91 1.09 0.02 0.00 2.88 -1.24 -4.50 113.62 116.78 2ysx n SER 40 Ca -0.14 1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 58.37 2ysx n SER 40 Cb 0.48 -1.30 -0.09 0.00 -0.75 0.00 0.00 64.21 62.56 2ysx n SER 40 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2ysx h GLU 41 N 1.73 -0.06 0.05 -1.46 4.11 -1.97 -3.28 114.58 113.69 2ysx h GLU 41 Ca -0.41 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.05 2ysx h GLU 41 Cb 1.34 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2ysx h GLU 41 CO 0.58 0.29 -0.44 0.77 0.07 0.00 0.00 179.01 180.28 2ysx h SER 42 N -0.42 -1.33 -3.31 3.06 0.02 -2.02 -3.40 113.55 106.14 2ysx h SER 42 Ca -0.01 0.15 -0.62 0.00 -0.84 0.00 0.00 61.79 60.48 2ysx h SER 42 Cb 0.38 0.51 -0.34 0.00 0.14 0.00 0.00 62.40 63.09 2ysx h SER 42 CO 0.01 -0.49 -0.85 -0.63 -1.14 0.00 0.00 176.83 173.73 2ysx s ILE 43 N -5.88 1.72 0.03 3.27 -1.09 -1.24 -5.02 121.20 112.99 2ysx s ILE 43 Ca -0.16 -0.80 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 2ysx s ILE 43 Cb 0.08 -1.52 -0.20 0.00 -1.58 0.00 0.00 42.46 39.23 2ysx s ILE 43 CO 0.63 0.48 1.18 -1.28 -1.23 0.00 0.00 174.94 174.72 2ysx h SER 44 N 7.07 0.63 -0.99 3.58 0.87 -1.80 -3.20 113.55 119.70 2ysx h SER 44 Ca -0.27 -0.69 0.25 0.00 -1.23 0.00 0.00 61.79 59.85 2ysx h SER 44 Cb 1.20 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 2ysx h SER 44 CO 0.49 1.23 0.66 -0.09 -0.53 0.00 0.00 176.83 178.59 2ysx h ARG 45 N 0.08 0.30 -7.72 2.24 9.65 -1.95 -3.42 114.38 113.56 2ysx h ARG 45 Ca -0.06 -0.02 -0.43 0.00 -1.10 0.00 0.00 59.98 58.37 2ysx h ARG 45 Cb 1.27 -0.07 0.18 0.00 -1.39 0.00 0.00 29.97 29.96 2ysx h ARG 45 CO 0.12 0.20 0.33 0.00 2.80 0.00 0.00 179.97 183.42 2ysx s ALA 46 N -5.35 1.65 0.28 2.80 0.00 -1.21 -4.78 121.76 115.15 2ysx s ALA 46 Ca -0.08 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 2ysx s ALA 46 Cb 0.24 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 2ysx s ALA 46 CO 0.79 -2.94 0.38 0.71 0.00 0.00 0.00 175.76 174.70 2ysx s TYR 47 N -3.65 0.89 -0.20 0.00 2.02 -0.60 -4.05 117.35 111.77 2ysx s TYR 47 Ca 0.75 -1.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2ysx s TYR 47 Cb -0.04 -0.14 0.09 0.00 -0.40 0.00 0.00 41.96 41.47 2ysx s TYR 47 CO 0.54 -0.96 0.21 0.00 -1.57 0.00 0.00 175.55 173.77 2ysx s ALA 48 N -3.66 -0.19 -0.34 3.71 0.00 0.38 -0.72 121.76 120.94 2ysx s ALA 48 Ca 0.30 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 2ysx s ALA 48 Cb 0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 2ysx s ALA 48 CO 0.15 -1.18 0.56 -1.17 0.00 0.00 0.00 175.76 174.12 2ysx s LEU 49 N 2.31 4.29 0.31 0.00 2.96 -1.16 -0.79 118.68 126.59 2ysx s LEU 49 Ca 0.06 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2ysx s LEU 49 Cb -0.16 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 2ysx s LEU 49 CO -0.12 -0.50 0.53 0.00 -1.32 0.00 0.00 176.35 174.94 2ysx s VAL 51 N -2.20 -0.02 -0.06 0.00 1.01 -1.00 -2.18 120.40 115.96 2ysx s VAL 51 Ca 0.40 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 2ysx s VAL 51 Cb -0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2ysx s VAL 51 CO 0.34 0.03 0.59 -0.22 0.00 0.00 0.00 175.10 175.83 2ysx s LEU 52 N 1.41 4.34 -0.28 3.92 2.96 0.03 -0.61 118.68 130.45 2ysx s LEU 52 Ca -0.09 1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 54.71 2ysx s LEU 52 Cb -0.08 -2.89 0.08 0.00 0.50 0.00 0.00 46.19 43.80 2ysx s LEU 52 CO -0.14 0.01 0.70 -0.47 -1.32 0.00 0.00 176.35 175.14 2ysx s TYR 53 N 0.34 -1.04 -1.64 5.38 5.04 -0.43 -3.67 117.35 121.33 2ysx s TYR 53 Ca 0.31 2.09 -0.14 0.00 -2.44 0.00 0.00 57.07 56.89 2ysx s TYR 53 Cb -0.17 0.62 0.12 0.00 0.35 0.00 0.00 41.96 42.87 2ysx s TYR 53 CO 0.15 -0.51 0.67 0.54 -1.34 0.00 0.00 175.55 175.06 2ysx n ARG 54 N 4.24 -3.05 -3.45 4.97 5.12 -1.26 -0.58 116.66 122.65 2ysx n ARG 54 Ca -0.20 0.36 -0.18 0.00 -1.93 0.00 0.00 57.85 55.91 2ysx n ARG 54 Cb 0.59 -4.90 0.09 0.00 -1.16 0.00 0.00 32.46 27.07 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 -2.73 -2.37 -3.72 0.55 3.02 -1.26 -5.02 115.26 103.73 2ysx n ASN 55 Ca -0.02 -0.62 -0.12 0.00 -0.03 0.00 0.00 54.58 53.79 2ysx n ASN 55 Cb 0.54 -5.11 -0.10 0.00 -0.61 0.00 0.00 39.78 34.49 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 0.68 5.12 -0.82 0.00 1.01 -1.26 -1.32 120.40 123.82 2ysx s VAL 57 Ca -0.04 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2ysx s VAL 57 Cb -0.05 -3.81 0.21 0.00 0.00 0.00 0.00 36.38 32.73 2ysx s VAL 57 CO -0.05 0.00 0.77 -0.31 0.00 0.00 0.00 175.10 175.52 2ysx s TYR 58 N 2.18 3.70 -0.34 5.22 1.51 0.22 -4.89 117.35 124.94 2ysx s TYR 58 Ca 0.16 -1.91 -0.29 0.00 -1.01 0.00 0.00 57.07 54.02 2ysx s TYR 58 Cb -0.16 -3.85 0.01 0.00 -0.11 0.00 0.00 41.96 37.86 2ysx s TYR 58 CO 0.11 -1.02 1.17 0.99 -1.11 0.00 0.00 175.55 175.68 2ysx s THR 59 N 0.40 4.33 0.58 -0.71 2.01 -1.26 -2.36 115.64 118.62 2ysx s THR 59 Ca 0.18 1.50 0.07 0.00 0.31 0.00 0.00 61.69 63.74 2ysx s THR 59 Cb -0.11 -4.35 0.08 0.00 0.01 0.00 0.00 72.50 68.12 2ysx s THR 59 CO -0.08 -0.56 0.79 -0.31 -0.69 0.00 0.00 174.62 173.77 2ysx s TYR 60 N 4.04 1.79 -0.02 4.92 2.02 0.57 -4.93 117.35 125.75 2ysx s TYR 60 Ca 0.50 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 2ysx s TYR 60 Cb -0.13 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2ysx s TYR 60 CO 0.21 -1.12 -0.08 1.03 -1.57 0.00 0.00 175.55 174.02 2ysx s ARG 61 N -4.71 0.80 -0.35 -0.62 1.81 -1.26 -3.01 118.95 111.61 2ysx s ARG 61 Ca 0.61 -0.26 0.01 0.00 -1.72 0.00 0.00 55.73 54.37 2ysx s ARG 61 Cb -0.07 -0.77 0.11 0.00 -0.45 0.00 0.00 34.95 33.77 2ysx s ARG 61 CO 0.39 0.11 0.11 0.42 -0.68 0.00 0.00 175.30 175.65 2ysx s ILE 62 N 0.14 1.39 0.14 1.52 1.09 0.10 -2.79 121.20 122.79 2ysx s ILE 62 Ca -0.02 -1.90 -0.08 0.00 -1.10 0.00 0.00 60.65 57.55 2ysx s ILE 62 Cb -0.07 -2.03 -0.06 0.00 -1.06 0.00 0.00 42.46 39.24 2ysx s ILE 62 CO 0.00 -0.70 0.43 -0.76 -0.10 0.00 0.00 174.94 173.82 2ysx s LEU 63 N 1.16 4.28 0.61 2.97 2.01 -1.26 -1.56 118.68 126.88 2ysx s LEU 63 Ca 0.12 0.76 -0.17 0.00 0.01 0.00 0.00 54.13 54.85 2ysx s LEU 63 Cb -0.19 -3.28 -0.03 0.00 0.01 0.00 0.00 46.19 42.70 2ysx s LEU 63 CO -0.16 0.07 1.12 -2.16 1.01 0.00 0.00 176.35 176.23 2ysx s PRO 64 N -2.39 3.06 0.32 1.29 0.04 -1.26 -4.29 135.00 131.77 2ysx s PRO 64 Ca 0.39 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2ysx s PRO 64 Cb -0.13 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2ysx s PRO 64 CO 0.21 -1.06 0.19 0.09 0.04 0.00 0.00 177.00 176.47 2ysx n ASN 65 N -1.90 2.19 -0.01 6.66 4.13 -1.08 -4.88 115.26 120.38 2ysx n ASN 65 Ca 0.11 -2.15 -0.14 0.00 1.68 0.00 0.00 54.58 54.08 2ysx n ASN 65 Cb 0.51 0.02 -0.08 0.00 -1.54 0.00 0.00 39.78 38.70 2ysx n ASN 65 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2ysx h GLU 66 N 0.00 -0.52 -1.62 3.52 3.07 -1.97 0.20 114.58 117.26 2ysx h GLU 66 Ca -0.21 0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.57 2ysx h GLU 66 Cb 0.75 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.73 2ysx h GLU 66 CO 0.34 -0.35 0.14 -0.25 -1.40 0.00 0.00 179.01 177.49 2ysx n ASP 67 N -5.44 5.09 -4.21 1.42 9.92 -1.26 -4.80 116.55 117.27 2ysx n ASP 67 Ca -0.05 -2.55 -0.31 0.00 -0.53 0.00 0.00 54.79 51.35 2ysx n ASP 67 Cb 0.37 -0.97 -0.07 0.00 -0.64 0.00 0.00 41.12 39.81 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 0.87 0.25 -4.96 -2.24 2.03 0.06 -4.93 116.55 107.63 2ysx n ASP 68 Ca 0.11 -1.22 -0.22 0.00 0.52 0.00 0.00 54.79 53.98 2ysx n ASP 68 Cb 0.57 -1.95 -0.01 0.00 -0.72 0.00 0.00 41.12 39.01 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 -7.19 3.30 -0.27 -0.67 -0.14 -1.26 -4.77 119.74 108.75 2ysx s LYS 69 Ca 0.04 -0.56 -0.01 0.00 -1.36 0.00 0.00 55.97 54.07 2ysx s LYS 69 Cb -0.02 -2.70 0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2ysx s LYS 69 CO 0.97 0.07 -0.04 -0.06 -0.76 0.00 0.00 175.35 175.53 2ysx s PHE 70 N -2.30 3.14 -0.10 3.18 0.08 -0.58 -2.62 117.98 118.78 2ysx s PHE 70 Ca 0.42 -1.68 -0.05 0.00 0.12 0.00 0.00 56.93 55.74 2ysx s PHE 70 Cb -0.10 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 2ysx s PHE 70 CO 0.34 -0.76 0.23 -0.08 -0.10 0.00 0.00 175.22 174.86 2ysx s THR 71 N 1.29 -0.09 -0.16 0.64 -1.32 -1.26 -2.76 115.64 111.97 2ysx s THR 71 Ca -0.02 0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.34 2ysx s THR 71 Cb -0.18 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 2ysx s THR 71 CO -0.03 0.07 1.65 -0.69 -2.21 0.00 0.00 174.62 173.41 2ysx s VAL 72 N 1.42 3.64 -1.49 5.08 1.01 -1.26 -4.16 120.40 124.64 2ysx s VAL 72 Ca -0.08 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 2ysx s VAL 72 Cb -0.11 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2ysx s VAL 72 CO -0.08 -0.20 2.55 0.00 0.00 0.00 0.00 175.10 177.37 2ysx n GLN 73 N 7.51 3.16 -3.59 2.72 6.02 -1.12 -4.91 117.38 127.16 2ysx n GLN 73 Ca 0.19 -2.35 -0.36 0.00 -0.01 0.00 0.00 57.00 54.47 2ysx n GLN 73 Cb 0.44 -3.02 -0.08 0.00 1.02 0.00 0.00 30.24 28.61 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 2.81 3.62 0.31 -1.58 0.00 -1.26 -4.91 121.76 120.74 2ysx s ALA 74 Ca 0.57 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.00 2ysx s ALA 74 Cb 0.16 -2.34 0.80 0.00 0.00 0.00 0.00 23.12 21.73 2ysx s ALA 74 CO -0.07 0.05 1.58 0.66 0.00 0.00 0.00 175.76 177.98 2ysx h SER 75 N 6.82 -0.34 -3.43 0.00 4.64 -2.02 -3.33 113.55 115.88 2ysx h SER 75 Ca -0.40 0.27 -0.60 0.00 -0.47 0.00 0.00 61.79 60.59 2ysx h SER 75 Cb 1.16 0.44 -0.09 0.00 -0.31 0.00 0.00 62.40 63.59 2ysx h SER 75 CO 0.75 -0.34 0.52 -0.70 -0.87 0.00 0.00 176.83 176.19 2ysx s GLU 76 N -5.95 3.93 -0.31 4.77 2.12 -1.26 -4.84 118.70 117.15 2ysx s GLU 76 Ca -0.12 0.64 0.03 0.00 0.36 0.00 0.00 54.97 55.88 2ysx s GLU 76 Cb 0.29 -3.76 0.23 0.00 0.26 0.00 0.00 34.13 31.16 2ysx s GLU 76 CO 0.78 -0.80 1.30 0.41 -0.54 0.00 0.00 175.26 176.41 2ysx n GLY 77 N 4.21 -1.36 0.38 -1.50 0.00 -1.25 -5.00 105.19 100.67 2ysx n GLY 77 Ca 0.06 0.61 0.32 0.00 0.00 0.00 0.00 46.02 47.00 2ysx n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ysx n VAL 78 N 0.16 -0.16 -4.02 1.61 0.31 -1.26 -2.96 118.33 112.02 2ysx n VAL 78 Ca -0.14 1.31 -0.31 0.00 -0.01 0.00 0.00 64.34 65.19 2ysx n VAL 78 Cb 0.72 -2.15 -0.15 0.00 -0.91 0.00 0.00 33.84 31.35 2ysx n VAL 78 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2ysx s SER 79 N -4.28 4.66 -0.15 4.52 0.01 -1.26 -5.09 113.70 112.11 2ysx s SER 79 Ca -0.05 -1.97 -0.23 0.00 1.31 0.00 0.00 55.95 55.00 2ysx s SER 79 Cb 0.23 -1.57 -0.02 0.00 0.21 0.00 0.00 66.02 64.86 2ysx s SER 79 CO 0.62 -0.34 0.71 -0.32 0.41 0.00 0.00 173.24 174.32 2ysx s MET 80 N 0.98 4.30 0.22 12.44 1.75 -1.15 -5.06 119.30 132.78 2ysx s MET 80 Ca 0.07 0.82 0.08 0.00 -1.25 0.00 0.00 55.69 55.40 2ysx s MET 80 Cb -0.19 -3.54 -0.05 0.00 2.84 0.00 0.00 34.83 33.89 2ysx s MET 80 CO -0.08 -0.19 -0.13 1.03 -0.65 0.00 0.00 175.02 175.00 2ysx s ARG 81 N 1.69 1.37 -0.11 4.11 0.52 -1.26 -5.15 118.95 120.13 2ysx s ARG 81 Ca 0.34 -1.63 0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2ysx s ARG 81 Cb -0.17 -1.13 0.02 0.00 0.52 0.00 0.00 34.95 34.20 2ysx s ARG 81 CO 0.13 0.16 -0.14 -0.06 0.02 0.00 0.00 175.30 175.41 2ysx s PHE 82 N -2.98 1.85 -0.16 -0.53 0.40 -1.26 -4.69 117.98 110.61 2ysx s PHE 82 Ca 0.24 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 2ysx s PHE 82 Cb 0.00 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.18 2ysx s PHE 82 CO 0.08 -0.47 -0.19 -0.06 0.70 0.00 0.00 175.22 175.27 2ysx s PHE 83 N 1.09 2.75 0.21 0.36 0.40 -1.11 -4.92 117.98 116.75 2ysx s PHE 83 Ca -0.05 -1.41 -0.09 0.00 -0.60 0.00 0.00 56.93 54.78 2ysx s PHE 83 Cb -0.14 -1.88 0.16 0.00 0.51 0.00 0.00 43.02 41.66 2ysx s PHE 83 CO -0.03 -0.67 1.82 0.00 0.70 0.00 0.00 175.22 177.04 2ysx h THR 84 N 5.84 1.24 -3.37 0.64 1.03 -1.89 -1.55 112.91 114.86 2ysx h THR 84 Ca -0.39 -0.63 -0.58 0.00 -0.01 0.00 0.00 66.41 64.81 2ysx h THR 84 Cb 1.17 0.21 -0.08 0.00 -1.07 0.00 0.00 68.15 68.38 2ysx h THR 84 CO 0.59 0.27 -0.06 -0.54 -0.01 0.00 0.00 175.52 175.78 2ysx s LYS 85 N -5.79 4.30 0.24 0.00 -0.14 -1.26 -4.62 119.74 112.47 2ysx s LYS 85 Ca -0.13 0.51 -0.05 0.00 -1.36 0.00 0.00 55.97 54.94 2ysx s LYS 85 Cb 0.15 -3.48 0.41 0.00 -1.68 0.00 0.00 37.83 33.23 2ysx s LYS 85 CO 0.81 0.03 1.76 1.25 -0.76 0.00 0.00 175.35 178.45 2ysx h LEU 86 N 7.17 0.43 -0.09 3.17 7.12 -1.95 -1.97 115.31 129.19 2ysx h LEU 86 Ca -0.38 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 57.70 2ysx h LEU 86 Cb 1.17 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2ysx h LEU 86 CO 0.75 0.21 0.04 -0.78 -0.13 0.00 0.00 178.44 178.53 2ysx h ASP 87 N 0.57 0.12 -0.29 1.25 1.82 -1.95 -2.26 116.42 115.67 2ysx h ASP 87 Ca 0.39 -0.16 0.09 0.00 -0.39 0.00 0.00 57.03 56.96 2ysx h ASP 87 Cb 0.49 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 2ysx h ASP 87 CO -0.32 0.25 0.56 1.56 -1.61 0.00 0.00 179.24 179.68 2ysx h GLN 88 N -0.01 0.00 0.03 0.28 1.08 -1.76 0.78 115.11 115.51 2ysx h GLN 88 Ca 0.03 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.98 2ysx h GLN 88 Cb 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2ysx h GLN 88 CO -0.00 0.00 -1.22 1.25 -0.95 0.00 0.00 178.83 177.91 2ysx h LEU 89 N 0.00 0.11 -0.03 1.46 6.46 -1.13 -3.25 115.31 118.94 2ysx h LEU 89 Ca 0.14 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2ysx h LEU 89 Cb 1.26 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2ysx h LEU 89 CO -0.00 1.11 -0.06 0.40 -0.62 0.00 0.00 178.44 179.26 2ysx h ILE 90 N 0.02 1.46 -0.80 4.05 1.08 0.67 -2.67 117.51 121.31 2ysx h ILE 90 Ca -0.10 -1.45 0.14 0.00 -0.39 0.00 0.00 64.86 63.06 2ysx h ILE 90 Cb 1.87 2.36 -0.06 0.00 -3.07 0.00 0.00 36.82 37.92 2ysx h ILE 90 CO 0.14 0.39 0.53 -0.33 -0.69 0.00 0.00 178.15 178.18 2ysx h GLU 91 N -0.47 0.51 0.00 2.37 5.08 -1.51 0.39 114.58 120.95 2ysx h GLU 91 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ysx h GLU 91 Cb 0.66 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ysx h GLU 91 CO 0.01 0.34 0.00 0.35 -1.00 0.00 0.00 179.01 178.71 2ysx h PHE 92 N 0.52 0.00 -0.67 4.33 3.04 -1.58 -3.04 116.94 119.54 2ysx h PHE 92 Ca 0.39 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.34 2ysx h PHE 92 Cb 0.77 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.28 2ysx h PHE 92 CO -0.00 0.00 0.00 0.66 -2.02 0.00 0.00 178.31 176.95 2ysx n TYR 93 N -2.52 1.30 0.27 0.41 4.02 0.13 -4.13 117.16 116.64 2ysx n TYR 93 Ca 0.05 -0.55 0.12 0.00 -0.01 0.00 0.00 57.90 57.50 2ysx n TYR 93 Cb 0.43 -0.16 0.07 0.00 -0.02 0.00 0.00 39.34 39.66 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 4.11 0.00 -7.06 -0.72 1.57 -1.30 -3.37 116.57 109.79 2ysx h LYS 94 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2ysx h LYS 94 Cb 1.27 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.71 2ysx h LYS 94 CO 0.15 0.00 0.56 0.15 -0.57 0.00 0.00 179.45 179.74 2ysx s LYS 95 N -3.29 3.04 0.00 3.15 1.02 -1.26 -4.11 119.74 118.30 2ysx s LYS 95 Ca 0.02 2.10 0.24 0.00 0.02 0.00 0.00 55.97 58.35 2ysx s LYS 95 Cb 0.10 -2.13 0.16 0.00 -0.52 0.00 0.00 37.83 35.44 2ysx s LYS 95 CO 0.76 -1.23 1.21 -0.85 -0.92 0.00 0.00 175.35 174.31 2ysx n GLU 96 N -1.25 1.54 0.09 1.68 0.28 -1.26 -4.24 120.64 117.48 2ysx n GLU 96 Ca 0.12 -1.25 -0.17 0.00 -0.16 0.00 0.00 57.16 55.71 2ysx n GLU 96 Cb 0.47 -1.47 -0.10 0.00 1.43 0.00 0.00 31.44 31.76 2ysx n GLU 96 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2ysx h ASN 97 N 3.04 0.57 -0.61 -1.84 -0.00 -2.00 -3.46 115.58 111.28 2ysx h ASN 97 Ca 0.00 -0.53 0.19 0.00 -0.00 0.00 0.00 56.30 55.96 2ysx h ASN 97 Cb 0.80 -0.18 -0.22 0.00 -0.00 0.00 0.00 38.32 38.73 2ysx h ASN 97 CO 0.00 1.37 0.07 0.00 -0.00 0.00 0.00 177.43 178.87 2ysx s MET 98 N -2.93 0.29 0.00 6.67 0.23 -1.26 -5.09 119.30 117.20 2ysx s MET 98 Ca -0.06 0.55 0.00 0.00 -1.03 0.00 0.00 55.69 55.15 2ysx s MET 98 Cb 0.07 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.69 2ysx s MET 98 CO 0.89 -0.26 0.00 0.41 -2.03 0.00 0.00 175.02 174.03 2ysx n GLY 99 N 5.36 -1.93 2.65 3.16 0.00 -1.26 -4.81 105.19 108.37 2ysx n GLY 99 Ca -0.06 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.07 0.00 -0.30 0.99 4.77 -1.26 -5.02 117.00 115.11 2ysx n LEU 100 Ca 0.00 -2.50 0.11 0.00 -0.03 0.00 0.00 56.01 53.58 2ysx n LEU 100 Cb 0.00 1.58 0.21 0.00 -2.33 0.00 0.00 43.42 42.88 2ysx n LEU 100 CO 0.00 -0.46 0.64 0.55 -1.33 0.00 0.00 177.39 176.79 2ysx n VAL 101 N -0.50 -0.36 -3.97 4.08 3.14 -1.26 -4.42 118.33 115.04 2ysx n VAL 101 Ca 0.05 1.88 -0.11 0.00 -2.96 0.00 0.00 64.34 63.20 2ysx n VAL 101 Cb 0.49 -2.71 -0.12 0.00 -1.06 0.00 0.00 33.84 30.44 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 -5.87 0.14 0.02 1.55 -1.32 -1.26 -5.11 115.64 103.79 2ysx s THR 102 Ca -0.11 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.41 2ysx s THR 102 Cb 0.24 -0.23 -0.07 0.00 -1.51 0.00 0.00 72.50 70.93 2ysx s THR 102 CO 0.66 -0.33 1.52 -1.38 -2.21 0.00 0.00 174.62 172.88 2ysx s HIS 103 N -1.00 2.63 0.08 9.09 0.00 -1.26 -4.91 115.29 119.92 2ysx s HIS 103 Ca -0.10 0.58 -0.37 0.00 -3.00 0.00 0.00 55.06 52.17 2ysx s HIS 103 Cb -0.07 -3.80 -0.17 0.00 -4.00 0.00 0.00 32.58 24.55 2ysx s HIS 103 CO -0.01 -3.09 1.36 1.28 -1.00 0.00 0.00 174.74 173.28 2ysx n LEU 104 N 5.58 1.73 -0.02 5.38 4.77 -1.26 -4.79 117.00 128.40 2ysx n LEU 104 Ca 0.14 1.12 -0.03 0.00 -0.03 0.00 0.00 56.01 57.21 2ysx n LEU 104 Cb 0.42 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 2ysx n LEU 104 CO 0.60 -1.00 -0.21 0.00 -1.33 0.00 0.00 177.39 175.45 2ysx n GLN 105 N 2.61 0.17 -4.33 3.23 6.02 -0.61 -4.92 117.38 119.54 2ysx n GLN 105 Ca 0.18 0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 56.98 2ysx n GLN 105 Cb 0.19 -0.70 -0.17 0.00 1.02 0.00 0.00 30.24 30.59 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 -1.83 1.62 -0.81 1.08 1.51 -1.19 -5.06 117.35 112.67 2ysx s TYR 106 Ca -0.09 -0.72 -0.25 0.00 -1.01 0.00 0.00 57.07 54.99 2ysx s TYR 106 Cb 0.01 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2ysx s TYR 106 CO 0.14 -0.41 1.92 -1.25 -1.11 0.00 0.00 175.55 174.83 2ysx s PRO 107 N 1.08 2.57 -0.39 -1.71 0.04 -1.26 -3.97 135.00 131.36 2ysx s PRO 107 Ca -0.06 -0.00 -0.43 0.00 0.04 0.00 0.00 61.00 60.55 2ysx s PRO 107 Cb -0.14 -4.85 -0.17 0.00 0.04 0.00 0.00 34.50 29.37 2ysx s PRO 107 CO -0.02 -3.18 1.75 0.28 0.04 0.00 0.00 177.00 175.87 2ysx n VAL 108 N 7.67 0.16 -1.17 -0.36 0.31 -1.15 -4.77 118.33 119.02 2ysx n VAL 108 Ca 0.34 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.34 2ysx n VAL 108 Cb 0.49 -0.90 0.17 0.00 -0.91 0.00 0.00 33.84 32.68 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 3.70 0.52 0.80 5.55 0.04 -1.26 -4.22 135.00 140.14 2ysx s PRO 109 Ca 1.03 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2ysx s PRO 109 Cb -1.27 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 31.60 2ysx s PRO 109 CO 0.71 -2.68 1.09 -0.51 0.04 0.00 0.00 177.00 175.65 2ysx s LEU 110 N -6.44 2.70 -0.44 -3.56 1.43 -1.15 -4.96 118.68 106.27 2ysx s LEU 110 Ca 0.65 1.56 -0.23 0.00 -1.03 0.00 0.00 54.13 55.07 2ysx s LEU 110 Cb -0.18 -4.18 0.02 0.00 0.03 0.00 0.00 46.19 41.88 2ysx s LEU 110 CO 0.58 -2.11 0.80 -0.70 0.23 0.00 0.00 176.35 175.15 2ysx s GLU 111 N -5.00 3.47 -0.01 1.70 -6.30 -1.26 -5.02 118.70 106.28 2ysx s GLU 111 Ca 0.61 -0.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.07 2ysx s GLU 111 Cb -0.16 -3.92 0.01 0.00 0.00 0.00 0.00 34.13 30.06 2ysx s GLU 111 CO 0.56 -1.10 0.00 -2.00 0.02 0.00 0.00 175.26 172.74 2ysx s GLU 112 N 3.33 0.12 -0.09 4.30 2.56 -1.26 -5.14 118.70 122.52 2ysx s GLU 112 Ca 0.31 0.05 -0.16 0.00 0.00 0.00 0.00 54.97 55.17 2ysx s GLU 112 Cb -0.12 -0.24 -0.05 0.00 2.00 0.00 0.00 34.13 35.72 2ysx s GLU 112 CO 0.22 -0.07 0.40 -1.21 -0.56 0.00 0.00 175.26 174.05 2ysx s GLU 113 N 0.53 4.17 0.17 4.30 2.02 -1.26 -5.09 118.70 123.54 2ysx s GLU 113 Ca -0.05 0.34 0.06 0.00 0.02 0.00 0.00 54.97 55.34 2ysx s GLU 113 Cb -0.07 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2ysx s GLU 113 CO -0.01 0.36 0.06 -0.51 0.02 0.00 0.00 175.26 175.18 2ysx s ASP 114 N 0.02 5.13 -0.27 -0.19 1.11 -1.26 -5.06 116.67 116.16 2ysx s ASP 114 Ca 0.23 -0.26 -0.14 0.00 0.18 0.00 0.00 52.55 52.55 2ysx s ASP 114 Cb -0.15 -1.22 -0.11 0.00 1.07 0.00 0.00 42.92 42.50 2ysx s ASP 114 CO 0.09 0.08 -0.36 0.35 1.18 0.00 0.00 175.17 176.52 2ysx n THR 115 N -0.19 1.52 -0.46 -1.27 -2.24 -1.26 -5.13 114.28 105.25 2ysx n THR 115 Ca -0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2ysx n THR 115 Cb 0.55 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 2ysx n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ysx n GLY 116 N 1.28 -0.53 3.73 3.38 0.00 -1.26 -5.12 105.19 106.67 2ysx n GLY 116 Ca -0.51 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 5.95 0.03 1.61 -1.08 -1.26 -5.10 116.67 112.81 2ysx s ASP 117 Ca 0.00 0.24 -0.01 0.00 -0.52 0.00 0.00 52.55 52.26 2ysx s ASP 117 Cb 0.00 -1.97 -0.02 0.00 -1.46 0.00 0.00 42.92 39.47 2ysx s ASP 117 CO 0.00 0.27 -0.02 1.51 0.52 0.00 0.00 175.17 177.45 2ysx s ASP 118 N -0.17 0.28 0.00 -0.34 -4.77 -1.26 -5.34 116.67 105.07 2ysx s ASP 118 Ca 0.09 -0.60 0.16 0.00 -3.30 0.00 0.00 52.55 48.89 2ysx s ASP 118 Cb -0.12 0.13 0.93 0.00 -1.09 0.00 0.00 42.92 42.78 2ysx s ASP 118 CO 0.01 -0.38 1.34 -0.81 0.70 0.00 0.00 175.17 176.03