#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 3.25 0.32 1.61 0.01 -1.26 -5.17 113.70 112.46 2ysx s SER 2 Ca 0.00 -1.66 -0.17 0.00 1.31 0.00 0.00 55.95 55.43 2ysx s SER 2 Cb 0.00 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.76 2ysx s SER 2 CO 0.00 -0.90 0.71 -0.44 0.41 0.00 0.00 173.24 173.02 2ysx s SER 3 N -3.70 -0.07 0.00 2.44 0.01 -1.26 -5.19 113.70 105.94 2ysx s SER 3 Ca 0.18 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2ysx s SER 3 Cb 0.02 0.76 0.00 0.00 0.21 0.00 0.00 66.02 67.02 2ysx s SER 3 CO 0.11 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.90 2ysx n GLY 4 N -0.49 1.52 3.17 3.44 0.00 -1.26 -5.18 105.19 106.39 2ysx n GLY 4 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2ysx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysx s SER 5 N 0.00 -0.05 -0.07 1.61 0.01 -1.26 -5.15 113.70 108.79 2ysx s SER 5 Ca 0.00 -0.14 -0.23 0.00 1.31 0.00 0.00 55.95 56.90 2ysx s SER 5 Cb 0.00 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 2ysx s SER 5 CO 0.00 -0.44 0.66 -0.55 0.41 0.00 0.00 173.24 173.33 2ysx s SER 6 N -1.51 6.94 0.00 2.44 0.15 -1.26 -4.94 113.70 115.52 2ysx s SER 6 Ca -0.12 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2ysx s SER 6 Cb -0.05 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2ysx s SER 6 CO 0.01 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2ysx n GLY 7 N 3.11 3.42 3.23 9.45 0.00 -1.26 -5.08 105.19 118.05 2ysx n GLY 7 Ca -0.02 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.12 -0.03 -3.90 1.61 2.00 -1.26 -5.02 117.12 109.41 2ysx n MET 8 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 57.70 57.61 2ysx n MET 8 Cb 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 33.22 31.71 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 -2.10 0.07 0.25 2.03 -7.23 -1.26 -5.13 120.40 107.02 2ysx s VAL 9 Ca 0.51 -0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2ysx s VAL 9 Cb -0.26 -0.29 0.06 0.00 0.56 0.00 0.00 36.38 36.46 2ysx s VAL 9 CO 0.72 -0.30 0.22 -0.81 -0.31 0.00 0.00 175.10 174.62 2ysx n PRO 10 N 1.98 -1.45 -0.00 4.82 -0.04 -1.26 -5.02 135.00 134.03 2ysx n PRO 10 Ca -0.20 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2ysx n PRO 10 Cb 0.57 -0.33 -0.01 0.00 -0.04 0.00 0.00 33.50 33.69 2ysx n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ysx n TRP 12 N -1.30 0.21 -2.49 0.00 4.27 -1.26 -4.18 117.44 112.69 2ysx n TRP 12 Ca -0.00 0.06 -0.41 0.00 -3.89 0.00 0.00 57.50 53.26 2ysx n TRP 12 Cb 0.02 -0.57 0.01 0.00 -1.36 0.00 0.00 31.31 29.40 2ysx n TRP 12 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2ysx n ASN 13 N -1.68 6.90 0.00 -0.67 2.85 -1.26 0.04 115.26 121.44 2ysx n ASN 13 Ca 0.06 -3.37 0.00 0.00 -0.11 0.00 0.00 54.58 51.17 2ysx n ASN 13 Cb 0.36 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.08 2ysx n ASN 13 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2ysx n HIS 14 N 1.49 0.00 0.00 1.20 8.25 -1.10 -4.98 115.22 120.07 2ysx n HIS 14 Ca 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 2ysx n HIS 14 Cb 0.29 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.93 2ysx n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ysx n GLY 15 N -0.99 0.58 3.55 -1.41 0.00 -1.23 -5.01 105.19 100.68 2ysx n GLY 15 Ca 0.00 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 2ysx n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysx s ASN 16 N -4.00 5.84 0.08 1.61 4.22 -1.26 -1.21 114.94 120.23 2ysx s ASN 16 Ca 0.00 -0.18 0.01 0.00 -2.14 0.00 0.00 52.86 50.56 2ysx s ASN 16 Cb 0.00 -2.55 -0.04 0.00 1.28 0.00 0.00 41.25 39.94 2ysx s ASN 16 CO 0.00 -2.03 -0.06 0.27 -2.04 0.00 0.00 177.10 173.23 2ysx s ILE 17 N 6.93 0.61 0.75 0.54 -4.36 -1.26 -4.95 121.20 119.46 2ysx s ILE 17 Ca 0.47 -1.78 -0.11 0.00 -0.26 0.00 0.00 60.65 58.96 2ysx s ILE 17 Cb -0.10 -1.48 0.04 0.00 1.25 0.00 0.00 42.46 42.17 2ysx s ILE 17 CO 0.17 -0.81 1.10 0.28 0.24 0.00 0.00 174.94 175.92 2ysx s THR 18 N -3.29 3.27 0.05 8.37 -1.32 -1.26 -4.81 115.64 116.64 2ysx s THR 18 Ca 0.08 0.41 -0.20 0.00 -1.21 0.00 0.00 61.69 60.77 2ysx s THR 18 Cb 0.03 -3.30 -0.10 0.00 -1.51 0.00 0.00 72.50 67.63 2ysx s THR 18 CO -0.04 -0.54 1.30 -0.09 -2.21 0.00 0.00 174.62 173.04 2ysx h ARG 19 N -0.85 -0.54 -0.74 7.08 2.43 -2.00 -2.27 114.38 117.48 2ysx h ARG 19 Ca -0.46 0.04 0.29 0.00 -0.81 0.00 0.00 59.98 59.04 2ysx h ARG 19 Cb 1.26 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.80 2ysx h ARG 19 CO 0.62 -0.36 0.33 0.45 -1.51 0.00 0.00 179.97 179.50 2ysx n SER 20 N -4.04 0.20 0.31 -3.80 2.88 -1.26 0.89 113.62 108.80 2ysx n SER 20 Ca -0.07 1.23 -0.16 0.00 -1.33 0.00 0.00 58.87 58.54 2ysx n SER 20 Cb 0.26 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 2ysx n SER 20 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2ysx h LYS 21 N 0.00 -0.76 -0.87 -1.46 1.63 -1.80 0.47 116.57 113.79 2ysx h LYS 21 Ca 0.60 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.54 2ysx h LYS 21 Cb 1.53 0.17 -0.12 0.00 -0.60 0.00 0.00 32.23 33.22 2ysx h LYS 21 CO -0.59 -0.46 -0.45 0.00 -3.45 0.00 0.00 179.45 174.50 2ysx n ALA 22 N -2.54 -0.40 0.04 5.00 0.00 0.26 -0.85 120.51 122.02 2ysx n ALA 22 Ca -0.12 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 2ysx n ALA 22 Cb 0.34 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 2ysx n ALA 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ysx h GLU 23 N 0.00 -0.10 -0.87 0.00 5.08 -1.52 -3.17 114.58 114.00 2ysx h GLU 23 Ca 0.19 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.66 2ysx h GLU 23 Cb 0.41 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.57 2ysx h GLU 23 CO -0.83 0.24 -0.44 -1.91 -1.00 0.00 0.00 179.01 175.07 2ysx n GLU 24 N -4.97 -0.31 0.12 2.33 2.13 0.15 -0.85 120.64 119.24 2ysx n GLU 24 Ca -0.08 1.32 -0.15 0.00 0.66 0.00 0.00 57.16 58.91 2ysx n GLU 24 Cb 0.21 -1.95 -0.09 0.00 0.27 0.00 0.00 31.44 29.89 2ysx n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2ysx h LEU 25 N 0.00 -1.37 -0.75 4.31 3.38 -1.20 -2.48 115.31 117.20 2ysx h LEU 25 Ca 0.20 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.44 2ysx h LEU 25 Cb 0.42 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 2ysx h LEU 25 CO -0.83 -0.50 -0.33 -0.07 0.09 0.00 0.00 178.44 176.80 2ysx h LEU 26 N -0.69 -1.17 -0.84 1.67 3.38 -0.96 0.18 115.31 116.88 2ysx h LEU 26 Ca -0.01 0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2ysx h LEU 26 Cb 0.68 0.61 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 2ysx h LEU 26 CO -0.22 -0.29 -0.33 -1.28 0.09 0.00 0.00 178.44 176.40 2ysx h SER 27 N -0.09 -1.20 -0.29 -0.43 0.87 -0.56 -1.22 113.55 110.64 2ysx h SER 27 Ca 0.29 0.27 0.03 0.00 -1.23 0.00 0.00 61.79 61.15 2ysx h SER 27 Cb 0.57 0.65 -0.04 0.00 -0.44 0.00 0.00 62.40 63.14 2ysx h SER 27 CO -0.80 -0.29 -0.21 0.03 -0.53 0.00 0.00 176.83 175.03 2ysx h ARG 28 N -0.05 -0.05 0.16 2.24 3.08 -0.70 -2.51 114.38 116.54 2ysx h ARG 28 Ca 0.33 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.39 2ysx h ARG 28 Cb 0.59 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 2ysx h ARG 28 CO -0.87 -0.04 -0.44 1.15 -1.07 0.00 0.00 179.97 178.71 2ysx h THR 29 N -0.05 0.00 -1.52 2.04 2.02 -1.30 -3.46 112.91 110.63 2ysx h THR 29 Ca 0.05 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 2ysx h THR 29 Cb 0.18 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2ysx h THR 29 CO -0.30 0.00 -0.20 0.61 0.37 0.00 0.00 175.52 176.00 2ysx n GLY 30 N -1.41 0.17 3.81 2.16 0.00 -0.56 -5.04 105.19 104.33 2ysx n GLY 30 Ca -0.08 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.68 3.07 -0.08 1.61 1.02 -1.26 -5.00 119.74 114.42 2ysx s LYS 31 Ca 0.06 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 2ysx s LYS 31 Cb -0.03 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2ysx s LYS 31 CO 0.07 0.60 2.21 -0.25 -0.92 0.00 0.00 175.35 177.06 2ysx n ASP 32 N 0.60 5.61 -0.39 2.83 9.92 -1.26 -3.28 116.55 130.57 2ysx n ASP 32 Ca -0.09 -2.58 -0.01 0.00 -0.53 0.00 0.00 54.79 51.58 2ysx n ASP 32 Cb 0.52 -1.15 -0.01 0.00 -0.64 0.00 0.00 41.12 39.84 2ysx n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ysx n GLY 33 N 1.35 0.45 3.86 0.44 0.00 -1.26 -4.85 105.19 105.17 2ysx n GLY 33 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.13 6.67 0.20 1.61 0.01 -1.21 -0.06 113.70 120.79 2ysx s SER 34 Ca 0.00 1.19 -0.21 0.00 1.31 0.00 0.00 55.95 58.24 2ysx s SER 34 Cb 0.00 -2.34 0.05 0.00 0.21 0.00 0.00 66.02 63.94 2ysx s SER 34 CO 0.00 -0.26 0.60 0.72 0.41 0.00 0.00 173.24 174.71 2ysx s PHE 35 N -2.11 -0.34 0.11 2.43 -0.71 -1.24 -2.28 117.98 113.84 2ysx s PHE 35 Ca 0.52 0.03 -0.26 0.00 -1.04 0.00 0.00 56.93 56.19 2ysx s PHE 35 Cb -0.10 0.54 0.07 0.00 -1.21 0.00 0.00 43.02 42.32 2ysx s PHE 35 CO 0.23 -0.95 0.93 -0.48 -1.34 0.00 0.00 175.22 173.60 2ysx s LEU 36 N -2.82 -0.24 0.12 -1.99 0.05 -0.69 -2.95 118.68 110.15 2ysx s LEU 36 Ca 0.05 -0.28 0.06 0.00 0.05 0.00 0.00 54.13 54.01 2ysx s LEU 36 Cb -0.02 2.14 -0.04 0.00 -2.05 0.00 0.00 46.19 46.22 2ysx s LEU 36 CO -0.06 -0.83 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.09 2ysx s VAL 37 N -3.26 1.29 0.17 1.48 1.01 0.11 -1.14 120.40 120.05 2ysx s VAL 37 Ca 0.10 -1.73 -0.19 0.00 0.00 0.00 0.00 61.98 60.16 2ysx s VAL 37 Cb -0.01 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2ysx s VAL 37 CO -0.01 -0.45 0.51 0.00 0.00 0.00 0.00 175.10 175.15 2ysx s ARG 38 N -2.73 1.27 -0.22 2.72 1.70 -0.36 -2.72 118.95 118.59 2ysx s ARG 38 Ca 0.09 -0.72 -0.27 0.00 -0.47 0.00 0.00 55.73 54.36 2ysx s ARG 38 Cb -0.04 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2ysx s ARG 38 CO 0.03 -0.53 0.96 0.00 -1.08 0.00 0.00 175.30 174.67 2ysx s ALA 39 N -3.82 3.65 0.11 7.88 0.00 -0.35 -0.42 121.76 128.81 2ysx s ALA 39 Ca 0.05 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 2ysx s ALA 39 Cb -0.00 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 2ysx s ALA 39 CO -0.08 -0.96 1.82 0.45 0.00 0.00 0.00 175.76 176.99 2ysx n SER 40 N 6.06 3.90 0.24 0.00 2.88 -1.15 -4.51 113.62 121.04 2ysx n SER 40 Ca 0.09 1.00 -0.16 0.00 -1.33 0.00 0.00 58.87 58.47 2ysx n SER 40 Cb 0.47 -1.52 -0.08 0.00 -0.75 0.00 0.00 64.21 62.33 2ysx n SER 40 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ysx h GLU 41 N 8.35 -0.59 -0.24 -1.46 5.08 -1.91 -3.19 114.58 120.62 2ysx h GLU 41 Ca -0.46 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2ysx h GLU 41 Cb 1.23 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2ysx h GLU 41 CO 0.94 -0.39 -0.36 0.77 -1.00 0.00 0.00 179.01 178.97 2ysx h SER 42 N -0.61 -1.20 -3.26 1.42 0.02 -1.98 -3.40 113.55 104.55 2ysx h SER 42 Ca -0.05 0.15 -0.58 0.00 -0.84 0.00 0.00 61.79 60.48 2ysx h SER 42 Cb 0.49 0.49 -0.35 0.00 0.14 0.00 0.00 62.40 63.17 2ysx h SER 42 CO 0.06 -0.27 -0.83 -0.63 -1.14 0.00 0.00 176.83 174.02 2ysx s ILE 43 N -4.71 1.47 0.13 3.27 1.01 -1.21 -5.02 121.20 116.13 2ysx s ILE 43 Ca -0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2ysx s ILE 43 Cb 0.05 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 2ysx s ILE 43 CO 0.40 0.44 1.54 0.77 0.00 0.00 0.00 174.94 178.08 2ysx h SER 44 N 7.49 0.81 -0.03 3.58 4.64 -1.78 -2.65 113.55 125.60 2ysx h SER 44 Ca -0.32 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 60.65 2ysx h SER 44 Cb 1.17 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2ysx h SER 44 CO 0.49 0.99 0.45 0.03 -0.87 0.00 0.00 176.83 177.92 2ysx h ARG 45 N 0.62 0.00 -6.22 4.77 3.08 -1.95 -3.41 114.38 111.26 2ysx h ARG 45 Ca 0.10 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.67 2ysx h ARG 45 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 2ysx h ARG 45 CO 0.04 0.00 -0.44 0.00 -1.07 0.00 0.00 179.97 178.51 2ysx s ALA 46 N -4.11 3.89 0.46 0.04 0.00 -1.00 -4.39 121.76 116.65 2ysx s ALA 46 Ca -0.03 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2ysx s ALA 46 Cb 0.08 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 2ysx s ALA 46 CO 0.25 0.06 0.05 0.71 0.00 0.00 0.00 175.76 176.82 2ysx s TYR 47 N -2.22 1.89 -0.12 0.00 2.02 -0.68 -2.95 117.35 115.28 2ysx s TYR 47 Ca 0.40 -1.05 -0.04 0.00 -0.37 0.00 0.00 57.07 56.02 2ysx s TYR 47 Cb -0.07 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.08 2ysx s TYR 47 CO 0.27 0.06 0.09 0.00 -1.57 0.00 0.00 175.55 174.41 2ysx s ALA 48 N -2.99 0.26 -0.29 3.71 0.00 0.44 -1.34 121.76 121.55 2ysx s ALA 48 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 2ysx s ALA 48 Cb 0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2ysx s ALA 48 CO 0.08 -0.87 0.16 -1.17 0.00 0.00 0.00 175.76 173.96 2ysx s LEU 49 N 2.18 3.97 -0.16 0.00 2.96 -0.03 -1.22 118.68 126.37 2ysx s LEU 49 Ca 0.04 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2ysx s LEU 49 Cb -0.14 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2ysx s LEU 49 CO -0.07 -0.11 0.08 0.00 -1.32 0.00 0.00 176.35 174.94 2ysx s VAL 51 N -0.04 0.95 0.14 0.00 1.01 -0.77 -1.71 120.40 119.98 2ysx s VAL 51 Ca 0.07 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 2ysx s VAL 51 Cb -0.12 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 2ysx s VAL 51 CO 0.01 0.36 0.67 -0.22 0.00 0.00 0.00 175.10 175.91 2ysx s LEU 52 N 1.72 4.50 -0.29 3.92 2.96 -0.96 -1.05 118.68 129.48 2ysx s LEU 52 Ca 0.05 1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 55.22 2ysx s LEU 52 Cb -0.13 -3.20 0.12 0.00 0.50 0.00 0.00 46.19 43.49 2ysx s LEU 52 CO -0.08 0.19 0.84 -0.47 -1.32 0.00 0.00 176.35 175.52 2ysx s TYR 53 N -1.23 -0.82 -1.42 5.38 5.04 -0.57 -4.16 117.35 119.57 2ysx s TYR 53 Ca 0.35 1.62 -0.13 0.00 -2.44 0.00 0.00 57.07 56.46 2ysx s TYR 53 Cb -0.20 0.49 0.11 0.00 0.35 0.00 0.00 41.96 42.71 2ysx s TYR 53 CO 0.22 -0.41 0.60 0.54 -1.34 0.00 0.00 175.55 175.16 2ysx n ARG 54 N 4.12 -3.21 -2.92 4.97 1.74 -1.26 -0.78 116.66 119.32 2ysx n ARG 54 Ca -0.18 0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 2ysx n ARG 54 Cb 0.57 -5.11 0.06 0.00 -1.02 0.00 0.00 32.46 26.97 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 -2.41 -2.22 -3.67 0.55 3.02 -1.26 -5.04 115.26 104.23 2ysx n ASN 55 Ca 0.03 -0.41 -0.09 0.00 -0.03 0.00 0.00 54.58 54.08 2ysx n ASN 55 Cb 0.51 -3.54 -0.10 0.00 -0.61 0.00 0.00 39.78 36.05 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 2.10 4.96 -0.43 0.00 1.01 -1.26 -1.51 120.40 125.26 2ysx s VAL 57 Ca -0.05 0.94 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2ysx s VAL 57 Cb -0.10 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.41 2ysx s VAL 57 CO -0.13 -0.07 0.27 -0.31 0.00 0.00 0.00 175.10 174.86 2ysx s TYR 58 N 2.55 3.44 0.34 5.22 1.51 -0.22 -4.91 117.35 125.29 2ysx s TYR 58 Ca 0.25 -1.92 -0.25 0.00 -1.01 0.00 0.00 57.07 54.14 2ysx s TYR 58 Cb -0.15 -3.23 -0.10 0.00 -0.11 0.00 0.00 41.96 38.36 2ysx s TYR 58 CO 0.11 -0.94 0.94 0.99 -1.11 0.00 0.00 175.55 175.53 2ysx s THR 59 N 1.32 4.25 -0.12 -0.71 2.01 -1.26 -1.85 115.64 119.28 2ysx s THR 59 Ca 0.05 1.75 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 2ysx s THR 59 Cb -0.24 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.38 2ysx s THR 59 CO -0.01 0.04 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.64 2ysx s TYR 60 N -1.74 1.05 0.09 4.92 2.02 0.11 -4.93 117.35 118.87 2ysx s TYR 60 Ca 0.53 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 56.35 2ysx s TYR 60 Cb -0.16 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 2ysx s TYR 60 CO 0.21 -0.47 0.99 -0.98 -1.57 0.00 0.00 175.55 173.73 2ysx s ARG 61 N 1.85 4.65 -0.41 -0.62 1.70 -1.26 -0.85 118.95 124.00 2ysx s ARG 61 Ca 0.03 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.77 2ysx s ARG 61 Cb -0.14 -3.38 0.11 0.00 -0.57 0.00 0.00 34.95 30.97 2ysx s ARG 61 CO -0.07 0.12 0.17 0.42 -1.08 0.00 0.00 175.30 174.86 2ysx s ILE 62 N 0.25 2.89 0.19 4.99 1.09 -0.45 -2.81 121.20 127.36 2ysx s ILE 62 Ca 0.49 -2.32 -0.17 0.00 -1.10 0.00 0.00 60.65 57.55 2ysx s ILE 62 Cb -0.24 -3.03 -0.08 0.00 -1.06 0.00 0.00 42.46 38.06 2ysx s ILE 62 CO 0.30 -0.68 0.65 -0.76 -0.10 0.00 0.00 174.94 174.35 2ysx s LEU 63 N 0.86 4.33 0.73 2.97 2.01 -1.25 -1.69 118.68 126.64 2ysx s LEU 63 Ca 0.11 1.27 -0.12 0.00 0.01 0.00 0.00 54.13 55.39 2ysx s LEU 63 Cb -0.21 -3.46 0.04 0.00 0.01 0.00 0.00 46.19 42.56 2ysx s LEU 63 CO -0.05 0.06 1.10 -2.16 1.01 0.00 0.00 176.35 176.30 2ysx s PRO 64 N -2.00 2.45 0.40 1.29 0.04 -1.26 -3.57 135.00 132.35 2ysx s PRO 64 Ca 0.41 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2ysx s PRO 64 Cb -0.16 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2ysx s PRO 64 CO 0.20 -1.50 0.16 1.21 0.04 0.00 0.00 177.00 177.11 2ysx s ASN 65 N -3.09 4.43 0.41 6.66 3.84 -0.63 -4.85 114.94 121.70 2ysx s ASN 65 Ca 0.63 -1.03 0.25 0.00 0.21 0.00 0.00 52.86 52.91 2ysx s ASN 65 Cb -0.18 -0.51 1.31 0.00 -0.55 0.00 0.00 41.25 41.31 2ysx s ASN 65 CO 0.51 -0.48 1.65 -0.08 -2.79 0.00 0.00 177.10 175.91 2ysx h GLU 66 N 1.48 0.17 -1.07 0.43 4.81 -1.98 1.25 114.58 119.67 2ysx h GLU 66 Ca -0.43 -0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.24 2ysx h GLU 66 Cb 1.25 -0.04 -0.26 0.00 0.63 0.00 0.00 28.75 30.33 2ysx h GLU 66 CO 0.69 0.11 0.71 -0.25 -0.73 0.00 0.00 179.01 179.54 2ysx n ASP 67 N -4.78 6.04 -4.23 1.04 9.92 -1.26 -4.89 116.55 118.38 2ysx n ASP 67 Ca 0.34 -3.55 -0.36 0.00 -0.53 0.00 0.00 54.79 50.69 2ysx n ASP 67 Cb 1.25 -0.92 -0.06 0.00 -0.64 0.00 0.00 41.12 40.74 2ysx n ASP 67 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2ysx n ASP 68 N -0.76 -0.77 -4.45 -2.24 5.75 0.43 -4.93 116.55 109.59 2ysx n ASP 68 Ca 0.55 -1.28 -0.32 0.00 -0.01 0.00 0.00 54.79 53.72 2ysx n ASP 68 Cb 0.98 -1.64 -0.14 0.00 -1.03 0.00 0.00 41.12 39.29 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2ysx s LYS 69 N -7.40 2.44 -0.38 0.11 1.02 -1.24 -4.79 119.74 109.50 2ysx s LYS 69 Ca 0.17 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 2ysx s LYS 69 Cb -0.09 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2ysx s LYS 69 CO 0.99 0.61 0.88 -0.06 -0.92 0.00 0.00 175.35 176.85 2ysx s PHE 70 N -0.72 3.07 -0.08 3.18 0.08 -0.13 -1.61 117.98 121.77 2ysx s PHE 70 Ca 0.11 0.64 -0.01 0.00 0.12 0.00 0.00 56.93 57.79 2ysx s PHE 70 Cb -0.10 -3.62 0.03 0.00 -0.57 0.00 0.00 43.02 38.76 2ysx s PHE 70 CO 0.00 -0.84 -0.02 0.95 -0.10 0.00 0.00 175.22 175.22 2ysx s THR 71 N 3.39 0.53 0.00 0.64 -4.23 -1.23 -3.62 115.64 111.12 2ysx s THR 71 Ca 0.36 0.02 -0.34 0.00 -1.18 0.00 0.00 61.69 60.55 2ysx s THR 71 Cb -0.12 -0.66 -0.12 0.00 1.34 0.00 0.00 72.50 72.94 2ysx s THR 71 CO 0.19 0.28 1.81 0.52 -0.54 0.00 0.00 174.62 176.88 2ysx n VAL 72 N 5.10 0.43 -0.87 2.29 0.31 -1.26 -3.88 118.33 120.45 2ysx n VAL 72 Ca -0.08 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 2ysx n VAL 72 Cb 0.50 -1.84 0.02 0.00 -0.91 0.00 0.00 33.84 31.60 2ysx n VAL 72 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ysx n GLN 73 N 5.78 1.70 -0.01 5.55 -0.06 -1.12 -4.47 117.38 124.75 2ysx n GLN 73 Ca 0.21 -1.30 -0.00 0.00 -2.00 0.00 0.00 57.00 53.91 2ysx n GLN 73 Cb 0.31 -1.55 -0.00 0.00 -4.06 0.00 0.00 30.24 24.94 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ysx h ALA 74 N 1.55 0.00 -2.02 1.69 0.00 -1.88 -3.48 119.26 115.12 2ysx h ALA 74 Ca 0.24 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.73 2ysx h ALA 74 Cb 0.93 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.94 2ysx h ALA 74 CO 0.60 0.00 -0.06 -1.12 0.00 0.00 0.00 179.25 178.68 2ysx s SER 75 N -3.29 -0.39 0.00 0.00 0.01 -1.26 -5.00 113.70 103.77 2ysx s SER 75 Ca -0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2ysx s SER 75 Cb 0.00 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2ysx s SER 75 CO 0.00 -4.96 0.41 1.21 0.41 0.00 0.00 173.24 170.31 2ysx n GLU 76 N -5.37 0.00 0.00 12.44 4.07 -1.26 -4.94 120.64 125.58 2ysx n GLU 76 Ca 0.11 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 2ysx n GLU 76 Cb 0.59 -1.13 0.00 0.00 -0.06 0.00 0.00 31.44 30.84 2ysx n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ysx n GLY 77 N 0.73 0.00 0.91 8.31 0.00 -1.26 -5.03 105.19 108.85 2ysx n GLY 77 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ysx n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ysx n VAL 78 N 0.00 0.02 -2.18 1.61 0.24 -1.26 -4.80 118.33 111.95 2ysx n VAL 78 Ca 0.00 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 2ysx n VAL 78 Cb 0.00 -1.43 0.03 0.00 -1.47 0.00 0.00 33.84 30.97 2ysx n VAL 78 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ysx n SER 79 N -2.98 7.31 -3.99 -1.34 7.64 -1.26 -4.94 113.62 114.06 2ysx n SER 79 Ca -0.01 -3.79 -0.22 0.00 1.01 0.00 0.00 58.87 55.87 2ysx n SER 79 Cb 0.51 -1.06 -0.16 0.00 -1.01 0.00 0.00 64.21 62.48 2ysx n SER 79 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2ysx s MET 80 N -4.13 1.20 0.63 1.43 0.00 -1.26 -4.88 119.30 112.29 2ysx s MET 80 Ca 0.48 -0.31 0.06 0.00 0.00 0.00 0.00 55.69 55.92 2ysx s MET 80 Cb 0.36 -1.07 0.11 0.00 0.00 0.00 0.00 34.83 34.22 2ysx s MET 80 CO -0.32 0.05 0.87 1.03 0.00 0.00 0.00 175.02 176.66 2ysx s ARG 81 N 0.49 2.05 -0.04 4.11 0.52 -1.26 -5.08 118.95 119.73 2ysx s ARG 81 Ca -0.09 -1.51 -0.02 0.00 -0.52 0.00 0.00 55.73 53.59 2ysx s ARG 81 Cb -0.12 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.84 2ysx s ARG 81 CO 0.01 -1.10 0.06 -0.06 0.02 0.00 0.00 175.30 174.23 2ysx s PHE 82 N -2.85 0.09 0.02 -0.53 0.40 -1.26 -4.75 117.98 109.11 2ysx s PHE 82 Ca 0.64 0.24 0.07 0.00 -0.60 0.00 0.00 56.93 57.27 2ysx s PHE 82 Cb -0.05 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.97 2ysx s PHE 82 CO 0.41 -0.19 -0.20 -0.06 0.70 0.00 0.00 175.22 175.88 2ysx s PHE 83 N 2.13 1.74 -0.08 0.36 0.40 -1.24 -5.03 117.98 116.26 2ysx s PHE 83 Ca 0.05 -0.36 0.14 0.00 -0.60 0.00 0.00 56.93 56.16 2ysx s PHE 83 Cb -0.12 -1.06 -0.08 0.00 0.51 0.00 0.00 43.02 42.27 2ysx s PHE 83 CO -0.03 0.05 1.15 1.15 0.70 0.00 0.00 175.22 178.24 2ysx h THR 84 N 4.47 0.91 -3.09 0.64 2.02 -1.88 -0.33 112.91 115.65 2ysx h THR 84 Ca -0.41 -2.42 -0.63 0.00 0.77 0.00 0.00 66.41 63.72 2ysx h THR 84 Cb 1.16 2.38 -0.09 0.00 -1.74 0.00 0.00 68.15 69.86 2ysx h THR 84 CO 0.45 0.52 -0.59 -0.54 0.37 0.00 0.00 175.52 175.73 2ysx s LYS 85 N -2.87 2.88 -0.03 6.66 -0.14 -1.26 -4.61 119.74 120.37 2ysx s LYS 85 Ca 0.01 -0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 53.69 2ysx s LYS 85 Cb 0.08 -2.71 -0.14 0.00 -1.68 0.00 0.00 37.83 33.39 2ysx s LYS 85 CO 0.79 0.55 0.87 1.25 -0.76 0.00 0.00 175.35 178.04 2ysx h LEU 86 N 3.13 -0.31 -0.82 3.17 7.12 -1.95 -2.98 115.31 122.67 2ysx h LEU 86 Ca -0.47 -0.20 0.13 0.00 0.13 0.00 0.00 57.88 57.48 2ysx h LEU 86 Cb 1.17 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 41.29 2ysx h LEU 86 CO 0.65 0.17 0.42 0.44 -0.13 0.00 0.00 178.44 179.99 2ysx h ASP 87 N -0.94 0.51 0.10 1.25 3.32 -1.99 0.31 116.42 118.97 2ysx h ASP 87 Ca -0.04 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2ysx h ASP 87 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2ysx h ASP 87 CO 0.06 0.23 -0.03 1.56 -1.72 0.00 0.00 179.24 179.34 2ysx h GLN 88 N 0.62 0.00 0.20 3.56 1.08 -1.99 -1.92 115.11 116.66 2ysx h GLN 88 Ca 0.44 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.34 2ysx h GLN 88 Cb 0.59 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2ysx h GLN 88 CO -0.34 0.03 -1.40 1.25 -0.95 0.00 0.00 178.83 177.42 2ysx h LEU 89 N 0.00 0.65 0.77 1.46 6.46 -0.28 -3.26 115.31 121.12 2ysx h LEU 89 Ca -0.00 -0.92 -0.04 0.00 -0.12 0.00 0.00 57.88 56.80 2ysx h LEU 89 Cb 0.09 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2ysx h LEU 89 CO 0.00 1.65 -0.37 0.40 -0.62 0.00 0.00 178.44 179.51 2ysx h ILE 90 N -0.04 0.00 -0.83 4.05 1.08 -0.69 -2.91 117.51 118.18 2ysx h ILE 90 Ca -0.26 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.27 2ysx h ILE 90 Cb 1.99 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.59 2ysx h ILE 90 CO 0.20 0.00 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.99 2ysx h GLU 91 N -1.12 -0.06 -1.01 2.37 5.08 -1.55 0.63 114.58 118.92 2ysx h GLU 91 Ca -0.11 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.51 2ysx h GLU 91 Cb 0.80 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2ysx h GLU 91 CO 0.17 -0.04 0.61 0.35 -1.00 0.00 0.00 179.01 179.10 2ysx h PHE 92 N -0.06 0.96 -0.31 4.33 3.57 -1.59 0.63 116.94 124.46 2ysx h PHE 92 Ca 0.32 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.69 2ysx h PHE 92 Cb 0.59 -0.28 -0.10 0.00 2.79 0.00 0.00 35.95 38.96 2ysx h PHE 92 CO -0.76 0.06 0.21 0.66 -2.23 0.00 0.00 178.31 176.25 2ysx n TYR 93 N -4.85 0.96 0.10 0.41 4.01 0.22 -3.93 117.16 114.08 2ysx n TYR 93 Ca 0.27 -0.92 0.05 0.00 -0.16 0.00 0.00 57.90 57.14 2ysx n TYR 93 Cb 0.77 -0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 39.33 2ysx n TYR 93 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2ysx h LYS 94 N 0.32 0.00 -7.36 -0.72 1.79 0.39 -3.34 116.57 107.64 2ysx h LYS 94 Ca 0.20 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.19 2ysx h LYS 94 Cb 1.58 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 32.31 2ysx h LYS 94 CO 0.35 0.25 0.31 0.15 -1.08 0.00 0.00 179.45 179.42 2ysx s LYS 95 N -3.07 2.56 0.43 3.15 1.02 -1.25 -4.07 119.74 118.52 2ysx s LYS 95 Ca 0.01 0.11 0.06 0.00 0.02 0.00 0.00 55.97 56.16 2ysx s LYS 95 Cb 0.08 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2ysx s LYS 95 CO 0.77 -1.09 0.60 -1.83 -0.92 0.00 0.00 175.35 172.88 2ysx s GLU 96 N -5.27 2.83 -0.91 1.68 -1.05 -1.26 -4.59 118.70 110.12 2ysx s GLU 96 Ca 0.58 -1.06 -0.03 0.00 -0.15 0.00 0.00 54.97 54.31 2ysx s GLU 96 Cb -0.11 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 2ysx s GLU 96 CO 0.48 -0.31 0.78 -1.71 0.95 0.00 0.00 175.26 175.45 2ysx n ASN 97 N -1.93 -3.49 0.00 0.83 4.05 -1.26 -4.97 115.26 108.48 2ysx n ASN 97 Ca 0.06 -0.42 0.00 0.00 0.45 0.00 0.00 54.58 54.68 2ysx n ASN 97 Cb 0.59 -3.78 0.00 0.00 1.23 0.00 0.00 39.78 37.82 2ysx n ASN 97 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ysx n MET 98 N -3.47 0.00 0.00 1.20 2.81 -1.26 -5.07 117.12 111.32 2ysx n MET 98 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2ysx n MET 98 Cb 0.58 -0.08 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 2ysx n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ysx n GLY 99 N 3.20 0.28 3.61 3.03 0.00 -1.26 -5.08 105.19 108.97 2ysx n GLY 99 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.78 1.24 0.02 0.99 1.43 -1.26 -4.97 118.68 113.36 2ysx s LEU 100 Ca 0.00 1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 54.10 2ysx s LEU 100 Cb 0.00 -3.28 -0.16 0.00 0.03 0.00 0.00 46.19 42.78 2ysx s LEU 100 CO 0.00 -3.54 1.33 1.62 0.23 0.00 0.00 176.35 175.99 2ysx h VAL 101 N -2.18 1.35 -3.71 -1.59 3.04 -1.95 -3.46 116.25 107.76 2ysx h VAL 101 Ca -0.57 -1.25 -0.35 0.00 -1.01 0.00 0.00 66.70 63.52 2ysx h VAL 101 Cb 1.34 1.93 -0.18 0.00 -2.01 0.00 0.00 31.29 32.37 2ysx h VAL 101 CO 0.55 0.36 -0.74 0.28 -1.01 0.00 0.00 177.57 177.01 2ysx s THR 102 N -4.32 1.04 0.02 3.17 -1.32 -1.26 -5.02 115.64 107.96 2ysx s THR 102 Ca -0.15 -1.62 -0.29 0.00 -1.21 0.00 0.00 61.69 58.42 2ysx s THR 102 Cb 0.04 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 2ysx s THR 102 CO 0.73 -0.50 0.95 -1.38 -2.21 0.00 0.00 174.62 172.22 2ysx s HIS 103 N -2.26 3.69 -0.34 9.09 0.00 -1.26 -4.94 115.29 119.26 2ysx s HIS 103 Ca 0.05 1.68 -0.35 0.00 -3.00 0.00 0.00 55.06 53.45 2ysx s HIS 103 Cb -0.04 -3.08 -0.11 0.00 -4.00 0.00 0.00 32.58 25.35 2ysx s HIS 103 CO 0.01 0.05 2.19 1.28 -1.00 0.00 0.00 174.74 177.27 2ysx n LEU 104 N 3.64 2.20 -0.07 5.38 4.77 -1.26 -4.74 117.00 126.92 2ysx n LEU 104 Ca 0.05 0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 2ysx n LEU 104 Cb 0.51 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 2ysx n LEU 104 CO 0.51 -0.73 -0.42 0.00 -1.33 0.00 0.00 177.39 175.42 2ysx n GLN 105 N 8.24 0.46 -4.11 3.23 6.02 0.91 -4.86 117.38 127.28 2ysx n GLN 105 Ca 0.41 0.45 -0.19 0.00 -0.01 0.00 0.00 57.00 57.66 2ysx n GLN 105 Cb 0.24 -1.62 -0.16 0.00 1.02 0.00 0.00 30.24 29.72 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 -2.38 0.65 -0.83 1.08 1.51 -0.92 -5.05 117.35 111.41 2ysx s TYR 106 Ca -0.18 -0.16 -0.25 0.00 -1.01 0.00 0.00 57.07 55.47 2ysx s TYR 106 Cb 0.02 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 2ysx s TYR 106 CO 0.26 -0.18 1.92 -1.25 -1.11 0.00 0.00 175.55 175.20 2ysx s PRO 107 N 0.94 2.58 -0.20 -1.71 0.04 -1.26 -3.73 135.00 131.66 2ysx s PRO 107 Ca -0.11 -0.08 -0.42 0.00 0.04 0.00 0.00 61.00 60.43 2ysx s PRO 107 Cb -0.14 -4.91 -0.19 0.00 0.04 0.00 0.00 34.50 29.30 2ysx s PRO 107 CO -0.00 -3.22 1.37 1.33 0.04 0.00 0.00 177.00 176.51 2ysx n VAL 108 N 7.72 0.03 -1.26 -0.36 0.24 -1.15 -4.59 118.33 118.96 2ysx n VAL 108 Ca 0.35 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.34 62.34 2ysx n VAL 108 Cb 0.48 -0.42 0.09 0.00 -1.47 0.00 0.00 33.84 32.53 2ysx n VAL 108 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ysx s PRO 109 N 1.54 2.20 1.36 7.34 0.04 -1.26 -4.37 135.00 141.85 2ysx s PRO 109 Ca 0.96 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 2ysx s PRO 109 Cb -1.29 -1.89 0.34 0.00 0.04 0.00 0.00 34.50 31.70 2ysx s PRO 109 CO 0.66 -1.68 0.99 -0.51 0.04 0.00 0.00 177.00 176.50 2ysx s LEU 110 N -5.94 -0.52 -0.93 -3.56 1.43 -1.26 -4.95 118.68 102.94 2ysx s LEU 110 Ca 0.61 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2ysx s LEU 110 Cb -0.17 -2.28 0.28 0.00 0.03 0.00 0.00 46.19 44.06 2ysx s LEU 110 CO 0.56 -4.99 1.19 1.21 0.23 0.00 0.00 176.35 174.55 2ysx n GLU 111 N -5.36 3.70 -3.94 1.70 0.00 -1.26 -5.04 120.64 110.44 2ysx n GLU 111 Ca 0.13 -4.59 -0.32 0.00 0.00 0.00 0.00 57.16 52.38 2ysx n GLU 111 Cb 0.60 -2.43 -0.05 0.00 0.00 0.00 0.00 31.44 29.56 2ysx n GLU 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2ysx s GLU 112 N -2.54 3.35 -0.21 5.31 -1.05 -1.26 -5.03 118.70 117.27 2ysx s GLU 112 Ca 0.34 -0.40 -0.28 0.00 -0.15 0.00 0.00 54.97 54.47 2ysx s GLU 112 Cb 0.07 -3.02 -0.05 0.00 -0.44 0.00 0.00 34.13 30.68 2ysx s GLU 112 CO 0.05 0.65 2.13 -1.21 0.95 0.00 0.00 175.26 177.82 2ysx s GLU 113 N -2.11 3.26 -0.26 -4.83 8.01 -1.26 -4.95 118.70 116.57 2ysx s GLU 113 Ca 0.29 2.00 -0.06 0.00 0.01 0.00 0.00 54.97 57.22 2ysx s GLU 113 Cb -0.13 -4.32 -0.00 0.00 -4.31 0.00 0.00 34.13 25.36 2ysx s GLU 113 CO 0.21 -1.95 0.03 0.16 0.01 0.00 0.00 175.26 173.71 2ysx s ASP 114 N 7.58 4.79 -0.36 -0.19 -4.77 -1.26 -5.06 116.67 117.39 2ysx s ASP 114 Ca 0.96 -0.50 0.02 0.00 -3.30 0.00 0.00 52.55 49.73 2ysx s ASP 114 Cb -0.32 -1.83 0.11 0.00 -1.09 0.00 0.00 42.92 39.79 2ysx s ASP 114 CO 0.35 -0.09 0.12 0.42 0.70 0.00 0.00 175.17 176.67 2ysx s THR 115 N 1.51 1.62 -0.28 2.11 -4.23 -1.26 -5.10 115.64 110.01 2ysx s THR 115 Ca 0.04 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 2ysx s THR 115 Cb -0.16 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 2ysx s THR 115 CO 0.00 -0.70 0.18 -0.83 -0.54 0.00 0.00 174.62 172.74 2ysx s GLY 116 N 0.98 1.92 0.00 3.99 0.00 -1.26 -5.01 107.32 107.94 2ysx s GLY 116 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2ysx s GLY 116 CO -0.13 0.64 0.46 2.09 0.00 0.00 0.00 173.10 176.17 2ysx n ASP 117 N 5.05 0.00 -4.87 1.64 5.75 -1.26 -4.84 116.55 118.02 2ysx n ASP 117 Ca -0.14 0.56 -0.31 0.00 -0.01 0.00 0.00 54.79 54.88 2ysx n ASP 117 Cb 0.52 -0.25 -0.04 0.00 -1.03 0.00 0.00 41.12 40.32 2ysx n ASP 117 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2ysx s ASP 118 N -2.00 6.62 0.00 -1.12 1.01 -1.26 -5.36 116.67 114.56 2ysx s ASP 118 Ca 0.00 1.12 0.16 0.00 0.71 0.00 0.00 52.55 54.53 2ysx s ASP 118 Cb 0.00 -2.31 0.93 0.00 1.01 0.00 0.00 42.92 42.55 2ysx s ASP 118 CO 0.00 -0.27 1.34 -0.81 0.21 0.00 0.00 175.17 175.64