#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 0.31 -0.00 1.61 7.64 -1.26 -4.85 113.62 117.07 2ysx n SER 2 Ca 0.00 0.85 -0.13 0.00 1.01 0.00 0.00 58.87 60.60 2ysx n SER 2 Cb 0.00 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 2ysx n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ysx h SER 3 N 2.69 -0.04 -1.83 6.43 4.64 -2.12 -3.50 113.55 119.82 2ysx h SER 3 Ca -0.35 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2ysx h SER 3 Cb 1.02 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2ysx h SER 3 CO 0.56 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 2ysx n GLY 4 N 0.32 -1.76 3.72 -0.77 0.00 -1.26 -5.00 105.19 100.45 2ysx n GLY 4 Ca -0.09 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 6.87 -0.63 1.61 0.01 -1.26 -4.99 113.70 115.31 2ysx s SER 5 Ca 0.00 2.33 -0.06 0.00 1.31 0.00 0.00 55.95 59.53 2ysx s SER 5 Cb 0.00 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.80 2ysx s SER 5 CO 0.00 -0.59 0.49 -0.55 0.41 0.00 0.00 173.24 173.00 2ysx s SER 6 N 0.79 5.67 0.00 2.44 0.15 -1.26 -4.48 113.70 117.00 2ysx s SER 6 Ca 0.61 -2.61 0.00 0.00 0.70 0.00 0.00 55.95 54.65 2ysx s SER 6 Cb -0.36 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2ysx s SER 6 CO 0.33 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2ysx n GLY 7 N 3.90 1.61 3.55 9.45 0.00 -1.26 -5.10 105.19 117.33 2ysx n GLY 7 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2ysx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ysx s MET 8 N -0.46 3.83 0.32 1.61 -2.45 -1.26 -5.07 119.30 115.82 2ysx s MET 8 Ca 0.00 -0.40 -0.29 0.00 -1.25 0.00 0.00 55.69 53.75 2ysx s MET 8 Cb 0.00 -3.31 -0.11 0.00 1.25 0.00 0.00 34.83 32.66 2ysx s MET 8 CO 0.00 0.02 1.57 0.14 1.05 0.00 0.00 175.02 177.80 2ysx s VAL 9 N 1.07 2.05 1.14 10.11 -7.23 -1.26 -4.99 120.40 121.28 2ysx s VAL 9 Ca 0.05 0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.09 2ysx s VAL 9 Cb -0.14 -3.03 0.26 0.00 0.56 0.00 0.00 36.38 34.03 2ysx s VAL 9 CO 0.03 0.01 1.10 -2.16 -0.31 0.00 0.00 175.10 173.77 2ysx s PRO 10 N -0.97 -0.70 -0.08 4.82 0.04 -1.26 -5.01 135.00 131.84 2ysx s PRO 10 Ca 0.60 0.12 0.14 0.00 0.04 0.00 0.00 61.00 61.90 2ysx s PRO 10 Cb -0.48 -1.64 -0.20 0.00 0.04 0.00 0.00 34.50 32.22 2ysx s PRO 10 CO 0.52 -3.40 0.18 0.00 0.04 0.00 0.00 177.00 174.34 2ysx n TRP 12 N -2.28 0.00 -3.30 0.00 4.27 -1.26 -3.65 117.44 111.21 2ysx n TRP 12 Ca -0.13 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.02 2ysx n TRP 12 Cb 0.69 -0.17 -0.01 0.00 -1.36 0.00 0.00 31.31 30.46 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 -2.34 7.07 0.01 -0.67 3.84 -1.26 -0.95 114.94 120.64 2ysx s ASN 13 Ca 0.35 -3.15 -0.26 0.00 0.21 0.00 0.00 52.86 50.01 2ysx s ASN 13 Cb 0.20 -2.23 -0.15 0.00 -0.55 0.00 0.00 41.25 38.52 2ysx s ASN 13 CO 0.41 -0.45 1.14 0.45 -2.79 0.00 0.00 177.10 175.85 2ysx h HIS 14 N 7.21 -0.70 0.00 0.43 3.86 -1.70 -3.48 115.15 120.77 2ysx h HIS 14 Ca 0.16 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2ysx h HIS 14 Cb 0.95 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2ysx h HIS 14 CO 0.90 -0.38 0.00 0.41 0.86 0.00 0.00 177.93 179.72 2ysx n GLY 15 N -0.51 0.42 3.43 2.45 0.00 -1.24 -4.95 105.19 104.78 2ysx n GLY 15 Ca -0.11 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 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 6.16 0.02 1.61 0.01 -1.26 0.42 114.94 117.90 2ysx s ASN 16 Ca 0.00 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.07 2ysx s ASN 16 Cb 0.00 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 2ysx s ASN 16 CO 0.00 -0.64 -0.03 0.27 -1.51 0.00 0.00 177.10 175.19 2ysx s ILE 17 N 1.89 0.13 0.85 0.60 -4.36 -1.26 -4.99 121.20 114.05 2ysx s ILE 17 Ca 0.07 -0.92 -0.10 0.00 -0.26 0.00 0.00 60.65 59.44 2ysx s ILE 17 Cb -0.21 -0.28 0.11 0.00 1.25 0.00 0.00 42.46 43.32 2ysx s ILE 17 CO 0.09 -0.50 1.11 0.28 0.24 0.00 0.00 174.94 176.16 2ysx s THR 18 N -1.47 2.73 0.21 8.37 -1.32 -1.26 -4.80 115.64 118.09 2ysx s THR 18 Ca -0.16 0.24 -0.08 0.00 -1.21 0.00 0.00 61.69 60.48 2ysx s THR 18 Cb -0.10 -2.52 0.14 0.00 -1.51 0.00 0.00 72.50 68.51 2ysx s THR 18 CO -0.01 -0.31 1.76 -0.09 -2.21 0.00 0.00 174.62 173.76 2ysx h ARG 19 N -1.51 1.15 -0.63 7.08 2.43 -2.00 -2.43 114.38 118.47 2ysx h ARG 19 Ca -0.44 -0.23 0.08 0.00 -0.81 0.00 0.00 59.98 58.58 2ysx h ARG 19 Cb 1.25 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 2ysx h ARG 19 CO 0.48 0.96 0.42 1.03 -1.51 0.00 0.00 179.97 181.34 2ysx h SER 20 N 1.11 0.47 0.09 -3.80 0.87 -2.00 -2.48 113.55 107.81 2ysx h SER 20 Ca 0.25 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2ysx h SER 20 Cb 0.25 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2ysx h SER 20 CO -0.02 0.30 -0.04 0.50 -0.53 0.00 0.00 176.83 177.03 2ysx h LYS 21 N 0.53 -0.12 -0.40 2.24 1.63 -1.81 -1.63 116.57 117.01 2ysx h LYS 21 Ca 0.28 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.13 2ysx h LYS 21 Cb 0.42 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 2ysx h LYS 21 CO -0.09 0.36 -0.41 0.00 -3.45 0.00 0.00 179.45 175.86 2ysx h ALA 22 N 0.12 -0.59 -0.45 5.00 0.00 -1.11 -0.38 119.26 121.85 2ysx h ALA 22 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ysx h ALA 22 Cb 0.53 1.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2ysx h ALA 22 CO 0.02 -0.80 0.29 0.93 0.00 0.00 0.00 179.25 179.69 2ysx h GLU 23 N -0.22 0.58 -0.41 0.00 5.08 -1.61 -2.99 114.58 115.02 2ysx h GLU 23 Ca 0.07 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2ysx h GLU 23 Cb 0.39 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2ysx h GLU 23 CO -0.49 0.38 -0.45 1.49 -1.00 0.00 0.00 179.01 178.95 2ysx h GLU 24 N 0.60 -0.25 -0.05 2.33 4.81 -0.24 0.14 114.58 121.92 2ysx h GLU 24 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2ysx h GLU 24 Cb -0.06 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2ysx h GLU 24 CO -0.04 -0.17 -0.15 -0.07 -0.73 0.00 0.00 179.01 177.85 2ysx h LEU 25 N -0.26 -0.49 -0.31 1.64 3.38 -1.04 -0.03 115.31 118.21 2ysx h LEU 25 Ca 0.07 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2ysx h LEU 25 Cb 0.44 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2ysx h LEU 25 CO -0.52 -0.13 -0.24 -0.07 0.09 0.00 0.00 178.44 177.56 2ysx h LEU 26 N -0.16 -0.86 -0.54 1.67 3.38 -1.34 -2.09 115.31 115.37 2ysx h LEU 26 Ca 0.01 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2ysx h LEU 26 Cb 0.19 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2ysx h LEU 26 CO -0.13 -0.13 -0.38 0.28 0.09 0.00 0.00 178.44 178.17 2ysx h SER 27 N -0.08 -1.36 -0.07 -0.43 0.02 -0.55 -1.59 113.55 109.48 2ysx h SER 27 Ca 0.05 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2ysx h SER 27 Cb 0.21 0.59 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2ysx h SER 27 CO -0.33 -0.18 -0.04 0.54 -1.14 0.00 0.00 176.83 175.67 2ysx n ARG 28 N -4.46 -0.03 -0.29 3.45 1.74 -0.04 -0.05 116.66 116.98 2ysx n ARG 28 Ca 0.00 0.86 0.03 0.00 -0.77 0.00 0.00 57.85 57.97 2ysx n ARG 28 Cb 0.18 -1.28 0.10 0.00 -1.02 0.00 0.00 32.46 30.44 2ysx n ARG 28 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2ysx h THR 29 N 0.00 0.16 -5.79 0.55 2.02 -0.88 -3.46 112.91 105.51 2ysx h THR 29 Ca 0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 2ysx h THR 29 Cb 0.03 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2ysx h THR 29 CO -0.07 0.00 -0.90 0.61 0.37 0.00 0.00 175.52 175.53 2ysx n GLY 30 N -1.54 -1.42 3.31 2.16 0.00 0.93 -5.04 105.19 103.60 2ysx n GLY 30 Ca 0.12 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.80 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 0.29 0.71 -2.68 1.61 5.02 -1.26 -5.08 118.16 116.78 2ysx n LYS 31 Ca 0.01 -2.70 -0.35 0.00 -2.02 0.00 0.00 58.31 53.26 2ysx n LYS 31 Cb 0.41 2.64 -0.00 0.00 -0.02 0.00 0.00 35.03 38.06 2ysx n LYS 31 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ysx n ASP 32 N -1.63 6.12 0.00 4.39 -0.08 -1.26 -4.53 116.55 119.56 2ysx n ASP 32 Ca 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 54.79 49.58 2ysx n ASP 32 Cb 0.57 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.15 2ysx n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ysx n GLY 33 N -0.20 0.00 3.66 0.27 0.00 -1.26 -5.00 105.19 102.65 2ysx n GLY 33 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 4.90 0.30 1.61 0.01 -1.26 -1.56 113.70 117.71 2ysx s SER 34 Ca 0.00 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 56.88 2ysx s SER 34 Cb 0.00 -1.15 0.04 0.00 0.21 0.00 0.00 66.02 65.12 2ysx s SER 34 CO 0.00 0.20 0.78 0.72 0.41 0.00 0.00 173.24 175.35 2ysx s PHE 35 N -1.23 -0.07 0.03 2.43 -0.71 -1.23 -1.37 117.98 115.83 2ysx s PHE 35 Ca 0.23 -0.45 -0.29 0.00 -1.04 0.00 0.00 56.93 55.39 2ysx s PHE 35 Cb -0.12 0.75 0.10 0.00 -1.21 0.00 0.00 43.02 42.54 2ysx s PHE 35 CO 0.15 -1.30 1.11 -0.48 -1.34 0.00 0.00 175.22 173.37 2ysx s LEU 36 N -3.00 -0.15 -0.02 -1.99 0.05 0.17 -1.33 118.68 112.42 2ysx s LEU 36 Ca 0.13 -0.20 0.07 0.00 0.05 0.00 0.00 54.13 54.18 2ysx s LEU 36 Cb -0.05 1.75 -0.02 0.00 -2.05 0.00 0.00 46.19 45.82 2ysx s LEU 36 CO 0.08 -0.55 -0.24 -0.69 -0.55 0.00 0.00 176.35 174.39 2ysx s VAL 37 N -2.82 1.92 0.18 1.48 1.01 -0.12 -0.33 120.40 121.71 2ysx s VAL 37 Ca 0.12 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2ysx s VAL 37 Cb 0.01 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2ysx s VAL 37 CO -0.02 0.54 0.16 -2.11 0.00 0.00 0.00 175.10 173.67 2ysx n ARG 38 N 2.48 0.24 -3.64 2.72 1.85 0.41 -2.53 116.66 118.18 2ysx n ARG 38 Ca -0.16 -1.79 -0.36 0.00 -1.00 0.00 0.00 57.85 54.54 2ysx n ARG 38 Cb 0.52 1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 33.33 2ysx n ARG 38 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ysx s ALA 39 N -2.70 3.64 -0.57 2.89 0.00 0.17 -1.51 121.76 123.68 2ysx s ALA 39 Ca 0.21 -0.65 0.25 0.00 0.00 0.00 0.00 51.96 51.77 2ysx s ALA 39 Cb 0.01 -2.29 0.90 0.00 0.00 0.00 0.00 23.12 21.74 2ysx s ALA 39 CO 0.15 0.05 1.75 1.03 0.00 0.00 0.00 175.76 178.74 2ysx h SER 40 N 6.87 0.00 -6.51 0.00 0.87 -1.79 -3.46 113.55 109.53 2ysx h SER 40 Ca -0.40 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 59.64 2ysx h SER 40 Cb 1.16 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.97 2ysx h SER 40 CO 0.74 0.00 -0.79 -0.62 -0.53 0.00 0.00 176.83 175.63 2ysx n GLU 41 N -2.31 -3.99 0.07 2.24 1.02 -1.26 -4.80 120.64 111.61 2ysx n GLU 41 Ca 0.04 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2ysx n GLU 41 Cb 0.34 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 2ysx n GLU 41 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ysx n SER 42 N -2.68 0.76 -4.53 1.62 2.88 -1.26 -5.11 113.62 105.29 2ysx n SER 42 Ca 0.06 0.23 -0.25 0.00 -1.33 0.00 0.00 58.87 57.58 2ysx n SER 42 Cb 0.50 -0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.73 2ysx n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ysx s ILE 43 N -1.97 2.90 0.00 2.46 1.01 -1.26 -5.07 121.20 119.28 2ysx s ILE 43 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 2ysx s ILE 43 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2ysx s ILE 43 CO 0.00 -0.26 1.02 0.28 0.00 0.00 0.00 174.94 175.99 2ysx h SER 44 N 2.54 -0.06 -0.58 3.58 0.02 -2.00 -2.75 113.55 114.29 2ysx h SER 44 Ca -0.44 0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.15 2ysx h SER 44 Cb 1.23 0.02 -0.13 0.00 0.14 0.00 0.00 62.40 63.66 2ysx h SER 44 CO 0.56 -0.02 0.04 0.54 -1.14 0.00 0.00 176.83 176.80 2ysx n ARG 45 N -2.49 2.22 -4.36 3.45 3.00 -1.26 -4.89 116.66 112.32 2ysx n ARG 45 Ca -0.00 -1.74 -0.29 0.00 -0.01 0.00 0.00 57.85 55.81 2ysx n ARG 45 Cb 0.02 -2.08 -0.12 0.00 0.00 0.00 0.00 32.46 30.27 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 -0.49 2.48 0.29 7.54 0.00 -1.04 -3.18 121.76 127.36 2ysx s ALA 46 Ca 0.63 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2ysx s ALA 46 Cb 0.35 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2ysx s ALA 46 CO -0.12 0.56 0.41 0.66 0.00 0.00 0.00 175.76 177.26 2ysx n TYR 47 N 0.88 -1.29 -3.79 0.00 4.01 -0.87 -4.32 117.16 111.77 2ysx n TYR 47 Ca -0.17 -1.92 -0.13 0.00 -0.16 0.00 0.00 57.90 55.52 2ysx n TYR 47 Cb 0.53 0.46 -0.12 0.00 -0.31 0.00 0.00 39.34 39.90 2ysx n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ysx s ALA 48 N -2.55 -0.48 -0.31 -0.72 0.00 -0.57 -1.03 121.76 116.11 2ysx s ALA 48 Ca 0.24 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.87 2ysx s ALA 48 Cb -0.01 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.81 2ysx s ALA 48 CO 0.17 -0.12 0.01 -1.17 0.00 0.00 0.00 175.76 174.65 2ysx s LEU 49 N 0.39 4.06 0.07 0.00 2.96 0.93 -0.45 118.68 126.64 2ysx s LEU 49 Ca -0.02 -1.85 -0.26 0.00 -0.22 0.00 0.00 54.13 51.77 2ysx s LEU 49 Cb -0.04 -1.51 -0.06 0.00 0.50 0.00 0.00 46.19 45.08 2ysx s LEU 49 CO -0.02 -0.32 0.81 0.00 -1.32 0.00 0.00 176.35 175.50 2ysx s VAL 51 N -0.11 0.58 0.41 0.00 1.01 0.29 -0.65 120.40 121.93 2ysx s VAL 51 Ca 0.40 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2ysx s VAL 51 Cb -0.21 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2ysx s VAL 51 CO 0.25 -0.70 1.35 -0.22 0.00 0.00 0.00 175.10 175.77 2ysx s LEU 52 N 1.75 4.22 -0.29 3.92 2.96 -0.47 -1.07 118.68 129.69 2ysx s LEU 52 Ca 0.10 2.75 -0.18 0.00 -0.22 0.00 0.00 54.13 56.58 2ysx s LEU 52 Cb -0.17 -3.86 0.18 0.00 0.50 0.00 0.00 46.19 42.83 2ysx s LEU 52 CO -0.28 -0.89 1.17 -0.47 -1.32 0.00 0.00 176.35 174.56 2ysx s TYR 53 N -1.22 -0.27 -1.50 5.38 5.04 0.15 -4.20 117.35 120.73 2ysx s TYR 53 Ca 0.57 0.56 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 2ysx s TYR 53 Cb -0.40 0.23 0.06 0.00 0.35 0.00 0.00 41.96 42.20 2ysx s TYR 53 CO 0.52 -0.13 0.68 0.54 -1.34 0.00 0.00 175.55 175.82 2ysx n ARG 54 N 2.99 -3.95 -2.48 4.97 5.12 -1.26 0.24 116.66 122.29 2ysx n ARG 54 Ca -0.16 0.46 -0.21 0.00 -1.93 0.00 0.00 57.85 56.01 2ysx n ARG 54 Cb 0.57 -4.97 -0.00 0.00 -1.16 0.00 0.00 32.46 26.89 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 -2.87 -5.91 -4.09 0.55 4.13 -1.26 -4.98 115.26 100.83 2ysx n ASN 55 Ca -0.13 -0.06 -0.16 0.00 1.68 0.00 0.00 54.58 55.91 2ysx n ASN 55 Cb 0.60 -4.89 -0.13 0.00 -1.54 0.00 0.00 39.78 33.82 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 -1.01 4.45 -0.96 0.00 1.01 -1.26 0.34 120.40 122.97 2ysx s VAL 57 Ca -0.03 -1.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 2ysx s VAL 57 Cb -0.08 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.50 2ysx s VAL 57 CO 0.01 -0.73 1.37 -0.31 0.00 0.00 0.00 175.10 175.43 2ysx s TYR 58 N 1.43 2.59 -0.24 5.22 1.51 -0.24 -4.80 117.35 122.82 2ysx s TYR 58 Ca 0.05 -0.81 -0.23 0.00 -1.01 0.00 0.00 57.07 55.06 2ysx s TYR 58 Cb -0.26 -4.62 -0.01 0.00 -0.11 0.00 0.00 41.96 36.96 2ysx s TYR 58 CO 0.01 -1.88 0.77 0.99 -1.11 0.00 0.00 175.55 174.33 2ysx s THR 59 N 4.72 4.88 -0.23 -0.71 2.01 -1.26 -0.55 115.64 124.51 2ysx s THR 59 Ca 0.42 1.45 -0.06 0.00 0.31 0.00 0.00 61.69 63.81 2ysx s THR 59 Cb -0.02 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2ysx s THR 59 CO -0.06 -0.03 0.03 -0.31 -0.69 0.00 0.00 174.62 173.56 2ysx s TYR 60 N 2.67 3.07 -0.11 4.92 2.02 0.21 -4.90 117.35 125.23 2ysx s TYR 60 Ca 0.33 -0.46 -0.23 0.00 -0.37 0.00 0.00 57.07 56.34 2ysx s TYR 60 Cb -0.15 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 2ysx s TYR 60 CO 0.08 -0.31 0.69 1.03 -1.57 0.00 0.00 175.55 175.48 2ysx s ARG 61 N 1.32 4.37 -0.50 -0.62 0.52 -1.26 -0.05 118.95 122.73 2ysx s ARG 61 Ca 0.04 0.83 -0.10 0.00 -0.52 0.00 0.00 55.73 55.98 2ysx s ARG 61 Cb -0.15 -3.49 0.13 0.00 0.52 0.00 0.00 34.95 31.96 2ysx s ARG 61 CO 0.02 -0.04 0.39 0.42 0.02 0.00 0.00 175.30 176.11 2ysx s ILE 62 N 1.18 4.39 0.13 1.52 1.09 -0.19 -3.68 121.20 125.63 2ysx s ILE 62 Ca 0.35 -1.83 -0.15 0.00 -1.10 0.00 0.00 60.65 57.93 2ysx s ILE 62 Cb -0.17 -3.87 -0.07 0.00 -1.06 0.00 0.00 42.46 37.29 2ysx s ILE 62 CO 0.15 -0.81 0.54 -0.76 -0.10 0.00 0.00 174.94 173.97 2ysx s LEU 63 N 1.28 4.37 0.10 2.97 2.01 -1.24 -2.05 118.68 126.12 2ysx s LEU 63 Ca 0.06 1.09 -0.31 0.00 0.01 0.00 0.00 54.13 54.98 2ysx s LEU 63 Cb -0.26 -3.17 -0.07 0.00 0.01 0.00 0.00 46.19 42.70 2ysx s LEU 63 CO -0.01 0.14 1.37 -2.16 1.01 0.00 0.00 176.35 176.70 2ysx s PRO 64 N -1.80 4.33 0.54 1.29 0.04 -1.19 -4.04 135.00 134.17 2ysx s PRO 64 Ca 0.36 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2ysx s PRO 64 Cb -0.16 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.12 2ysx s PRO 64 CO 0.19 -0.43 0.33 -0.80 0.04 0.00 0.00 177.00 176.32 2ysx s ASN 65 N 1.19 4.53 0.00 6.66 0.01 -0.74 -4.87 114.94 121.73 2ysx s ASN 65 Ca 0.64 -1.34 -0.31 0.00 -0.71 0.00 0.00 52.86 51.14 2ysx s ASN 65 Cb -0.35 0.47 -0.16 0.00 0.41 0.00 0.00 41.25 41.62 2ysx s ASN 65 CO 0.30 -1.07 0.84 1.21 -1.51 0.00 0.00 177.10 176.86 2ysx n GLU 66 N -1.68 0.00 -1.92 -0.60 2.13 -1.26 0.80 120.64 118.10 2ysx n GLU 66 Ca -0.05 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.66 2ysx n GLU 66 Cb 0.65 -1.18 -0.02 0.00 0.27 0.00 0.00 31.44 31.16 2ysx n GLU 66 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2ysx n ASP 67 N 1.19 -3.90 -3.94 4.31 2.03 -1.26 -3.09 116.55 111.90 2ysx n ASP 67 Ca 0.16 0.09 -0.27 0.00 0.52 0.00 0.00 54.79 55.28 2ysx n ASP 67 Cb 0.07 -2.89 -0.00 0.00 -0.72 0.00 0.00 41.12 37.58 2ysx n ASP 67 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ysx n ASP 68 N -0.05 -1.63 -4.79 1.67 9.92 0.24 -4.93 116.55 116.98 2ysx n ASP 68 Ca -0.13 -0.93 -0.39 0.00 -0.53 0.00 0.00 54.79 52.81 2ysx n ASP 68 Cb 0.53 -3.34 -0.06 0.00 -0.64 0.00 0.00 41.12 37.61 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2ysx s LYS 69 N -6.50 4.41 -0.64 -1.24 -0.14 -0.52 -4.76 119.74 110.34 2ysx s LYS 69 Ca 0.22 0.97 -0.25 0.00 -1.36 0.00 0.00 55.97 55.55 2ysx s LYS 69 Cb -0.12 -3.27 0.05 0.00 -1.68 0.00 0.00 37.83 32.82 2ysx s LYS 69 CO 0.87 0.56 1.06 -0.06 -0.76 0.00 0.00 175.35 177.01 2ysx s PHE 70 N -0.97 2.60 0.01 3.18 0.08 -1.24 -1.79 117.98 119.85 2ysx s PHE 70 Ca 0.33 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 57.25 2ysx s PHE 70 Cb -0.21 -4.34 -0.02 0.00 -0.57 0.00 0.00 43.02 37.88 2ysx s PHE 70 CO 0.23 -1.67 -0.22 0.95 -0.10 0.00 0.00 175.22 174.40 2ysx s THR 71 N 4.52 1.79 0.12 0.64 -4.23 -1.26 -3.37 115.64 113.85 2ysx s THR 71 Ca 0.29 -1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 2ysx s THR 71 Cb -0.13 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.14 2ysx s THR 71 CO 0.15 0.39 0.49 -0.69 -0.54 0.00 0.00 174.62 174.42 2ysx s VAL 72 N -0.64 4.95 -1.00 2.29 1.01 -1.26 -3.70 120.40 122.04 2ysx s VAL 72 Ca 0.09 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 2ysx s VAL 72 Cb -0.09 -3.70 0.30 0.00 0.00 0.00 0.00 36.38 32.89 2ysx s VAL 72 CO 0.00 0.26 1.41 0.00 0.00 0.00 0.00 175.10 176.78 2ysx n GLN 73 N 0.85 4.30 -0.02 2.72 6.02 -1.24 -4.77 117.38 125.24 2ysx n GLN 73 Ca -0.06 -4.60 -0.02 0.00 -0.01 0.00 0.00 57.00 52.31 2ysx n GLN 73 Cb 0.52 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.31 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ysx n ALA 74 N 1.05 0.18 -2.92 -1.58 0.00 -1.26 -4.87 120.51 111.11 2ysx n ALA 74 Ca 0.29 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 2ysx n ALA 74 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 2ysx n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ysx s SER 75 N -4.32 6.13 0.34 0.00 0.01 -1.26 -5.13 113.70 109.47 2ysx s SER 75 Ca -0.06 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2ysx s SER 75 Cb 0.01 -1.78 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 2ysx s SER 75 CO 0.09 0.02 0.08 -1.61 0.41 0.00 0.00 173.24 172.22 2ysx s GLU 76 N -3.44 1.69 2.31 12.44 2.02 -1.26 -4.82 118.70 127.64 2ysx s GLU 76 Ca 0.34 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.37 2ysx s GLU 76 Cb -0.10 -0.75 0.00 0.00 0.10 0.00 0.00 34.13 33.38 2ysx s GLU 76 CO 0.27 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2ysx n GLY 77 N -0.72 1.25 2.81 -1.39 0.00 -1.26 -4.30 105.19 101.59 2ysx n GLY 77 Ca -0.03 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 3.52 -3.23 1.61 0.24 -1.26 -4.83 118.33 114.38 2ysx n VAL 78 Ca 0.00 -4.18 -0.02 0.00 -2.04 0.00 0.00 64.34 58.11 2ysx n VAL 78 Cb 0.00 -1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 31.10 2ysx n VAL 78 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ysx s SER 79 N -1.35 -0.73 -0.23 -1.34 0.15 -1.26 -5.15 113.70 103.79 2ysx s SER 79 Ca 0.53 0.37 -0.25 0.00 0.70 0.00 0.00 55.95 57.30 2ysx s SER 79 Cb 0.45 1.70 0.07 0.00 -1.71 0.00 0.00 66.02 66.52 2ysx s SER 79 CO -0.35 -0.29 0.69 -0.32 1.20 0.00 0.00 173.24 174.17 2ysx s MET 80 N 2.72 0.85 0.04 5.44 1.75 -1.26 -4.36 119.30 124.48 2ysx s MET 80 Ca 0.15 0.85 -0.01 0.00 -1.25 0.00 0.00 55.69 55.43 2ysx s MET 80 Cb -0.14 0.41 -0.03 0.00 2.84 0.00 0.00 34.83 37.91 2ysx s MET 80 CO -0.22 -0.13 -0.03 1.03 -0.65 0.00 0.00 175.02 175.01 2ysx s ARG 81 N 0.12 0.53 -0.04 4.11 0.52 -1.26 -5.16 118.95 117.76 2ysx s ARG 81 Ca -0.02 -1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 54.14 2ysx s ARG 81 Cb -0.04 0.17 0.03 0.00 0.52 0.00 0.00 34.95 35.62 2ysx s ARG 81 CO 0.02 -0.09 0.00 -0.06 0.02 0.00 0.00 175.30 175.20 2ysx s PHE 82 N -3.20 0.42 0.50 -0.53 0.40 -1.26 -4.60 117.98 109.72 2ysx s PHE 82 Ca 0.00 -0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.38 2ysx s PHE 82 Cb 0.03 -0.55 0.04 0.00 0.51 0.00 0.00 43.02 43.04 2ysx s PHE 82 CO -0.07 -0.20 0.56 -0.06 0.70 0.00 0.00 175.22 176.15 2ysx s PHE 83 N 1.44 2.00 -0.25 0.36 0.08 -1.22 -5.02 117.98 115.39 2ysx s PHE 83 Ca -0.04 -0.65 -0.16 0.00 0.12 0.00 0.00 56.93 56.21 2ysx s PHE 83 Cb -0.13 -2.15 -0.13 0.00 -0.57 0.00 0.00 43.02 40.03 2ysx s PHE 83 CO -0.03 -0.62 -0.19 2.41 -0.10 0.00 0.00 175.22 176.69 2ysx n THR 84 N -1.89 1.52 -3.97 0.64 -1.04 -1.26 -3.70 114.28 104.58 2ysx n THR 84 Ca 0.07 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.64 2ysx n THR 84 Cb 0.62 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 67.09 2ysx n THR 84 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2ysx s LYS 85 N -2.49 2.48 0.10 -2.82 -0.14 -1.26 -4.68 119.74 110.93 2ysx s LYS 85 Ca -0.34 -1.49 -0.22 0.00 -1.36 0.00 0.00 55.97 52.57 2ysx s LYS 85 Cb 0.11 -2.27 -0.12 0.00 -1.68 0.00 0.00 37.83 33.87 2ysx s LYS 85 CO 0.50 0.07 1.73 1.25 -0.76 0.00 0.00 175.35 178.14 2ysx h LEU 86 N 1.41 0.11 0.59 3.17 7.12 -1.95 -3.00 115.31 122.76 2ysx h LEU 86 Ca -0.44 -0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.51 2ysx h LEU 86 Cb 1.25 -0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.36 2ysx h LEU 86 CO 0.62 0.11 -0.28 -0.78 -0.13 0.00 0.00 178.44 177.97 2ysx h ASP 87 N 0.10 -0.67 -1.64 1.25 3.58 -2.00 -2.44 116.42 114.61 2ysx h ASP 87 Ca 0.03 0.02 0.52 0.00 0.42 0.00 0.00 57.03 58.02 2ysx h ASP 87 Cb 0.02 0.17 -0.12 0.00 1.72 0.00 0.00 39.33 41.12 2ysx h ASP 87 CO -0.01 -0.47 1.12 0.00 -2.88 0.00 0.00 179.24 177.00 2ysx n GLN 88 N -5.42 -0.02 -0.04 0.28 1.13 -1.19 0.18 117.38 112.29 2ysx n GLN 88 Ca -0.13 1.19 -0.16 0.00 -1.94 0.00 0.00 57.00 55.96 2ysx n GLN 88 Cb 0.33 -2.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.11 2ysx n GLN 88 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2ysx h LEU 89 N 0.00 0.68 0.51 1.08 6.46 -1.30 -3.23 115.31 119.51 2ysx h LEU 89 Ca 0.91 -0.61 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2ysx h LEU 89 Cb 3.25 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 42.99 2ysx h LEU 89 CO -0.28 1.18 -0.24 0.40 -0.62 0.00 0.00 178.44 178.87 2ysx h ILE 90 N 0.23 0.32 -1.63 4.05 1.08 0.20 -2.88 117.51 118.89 2ysx h ILE 90 Ca -0.02 -0.45 0.52 0.00 -0.39 0.00 0.00 64.86 64.52 2ysx h ILE 90 Cb 1.13 0.46 -0.12 0.00 -3.07 0.00 0.00 36.82 35.22 2ysx h ILE 90 CO 0.11 0.05 1.11 -0.08 -0.69 0.00 0.00 178.15 178.64 2ysx h GLU 91 N -1.01 0.00 -0.04 2.37 4.22 -1.20 1.91 114.58 120.82 2ysx h GLU 91 Ca -0.07 -0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.14 2ysx h GLU 91 Cb 0.61 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2ysx h GLU 91 CO 0.11 0.00 -0.91 0.35 -2.18 0.00 0.00 179.01 176.39 2ysx h PHE 92 N 0.00 0.83 -0.25 0.92 3.04 -1.54 -3.16 116.94 116.78 2ysx h PHE 92 Ca 0.91 -0.42 -0.13 0.00 3.98 0.00 0.00 57.97 62.31 2ysx h PHE 92 Cb 3.23 -0.11 -0.08 0.00 2.56 0.00 0.00 35.95 41.56 2ysx h PHE 92 CO -0.00 1.24 0.17 0.66 -2.02 0.00 0.00 178.31 178.35 2ysx n TYR 93 N -3.83 0.77 0.89 0.41 4.01 0.65 -3.66 117.16 116.39 2ysx n TYR 93 Ca -0.08 -0.84 0.10 0.00 -0.16 0.00 0.00 57.90 56.92 2ysx n TYR 93 Cb 0.81 -0.43 0.04 0.00 -0.31 0.00 0.00 39.34 39.46 2ysx n TYR 93 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ysx n LYS 94 N 0.09 1.67 -3.23 -0.72 5.02 -1.04 -3.83 118.16 116.13 2ysx n LYS 94 Ca 0.15 -1.34 -0.24 0.00 -2.02 0.00 0.00 58.31 54.86 2ysx n LYS 94 Cb 0.79 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.40 2ysx n LYS 94 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ysx s LYS 95 N -2.01 3.39 -0.08 1.97 3.01 -1.24 -4.45 119.74 120.33 2ysx s LYS 95 Ca 0.20 -0.33 0.18 0.00 -1.01 0.00 0.00 55.97 55.01 2ysx s LYS 95 Cb 0.17 -2.62 -0.23 0.00 -1.01 0.00 0.00 37.83 34.14 2ysx s LYS 95 CO 0.39 0.02 0.42 -0.85 0.51 0.00 0.00 175.35 175.84 2ysx n GLU 96 N -1.89 0.66 0.00 1.68 0.28 -1.26 -4.27 120.64 115.83 2ysx n GLU 96 Ca -0.03 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2ysx n GLU 96 Cb 0.56 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.80 2ysx n GLU 96 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2ysx n ASN 97 N -2.74 0.00 -3.92 -1.84 3.02 -1.26 -4.36 115.26 104.16 2ysx n ASN 97 Ca -0.20 0.83 -0.30 0.00 -0.03 0.00 0.00 54.58 54.89 2ysx n ASN 97 Cb 0.95 -0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 39.65 2ysx n ASN 97 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2ysx s MET 98 N -2.33 1.77 0.00 3.52 -1.94 -1.26 -5.04 119.30 114.01 2ysx s MET 98 Ca 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 55.69 51.59 2ysx s MET 98 Cb 0.00 -3.12 0.00 0.00 2.01 0.00 0.00 34.83 33.72 2ysx s MET 98 CO 0.00 -1.09 0.00 0.41 -0.01 0.00 0.00 175.02 174.33 2ysx n GLY 99 N 3.38 4.61 3.99 -0.03 0.00 -1.26 -4.85 105.19 111.02 2ysx n GLY 99 Ca 0.05 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 2.89 0.47 0.99 1.43 -1.26 -4.91 118.68 118.29 2ysx s LEU 100 Ca 0.00 -0.38 0.38 0.00 -1.03 0.00 0.00 54.13 53.10 2ysx s LEU 100 Cb 0.00 -1.78 1.54 0.00 0.03 0.00 0.00 46.19 45.98 2ysx s LEU 100 CO 0.00 -2.18 1.52 0.55 0.23 0.00 0.00 176.35 176.47 2ysx n VAL 101 N -3.09 -0.15 -3.77 -1.59 3.14 -1.26 -4.35 118.33 107.26 2ysx n VAL 101 Ca 0.17 1.63 -0.13 0.00 -2.96 0.00 0.00 64.34 63.05 2ysx n VAL 101 Cb 0.60 -2.69 -0.10 0.00 -1.06 0.00 0.00 33.84 30.59 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 -5.04 0.03 -0.17 1.55 -1.32 -1.26 -5.12 115.64 104.31 2ysx s THR 102 Ca -0.06 -0.24 -0.29 0.00 -1.21 0.00 0.00 61.69 59.88 2ysx s THR 102 Cb 0.29 -0.50 -0.03 0.00 -1.51 0.00 0.00 72.50 70.74 2ysx s THR 102 CO 0.82 -0.13 1.53 -1.38 -2.21 0.00 0.00 174.62 173.25 2ysx s HIS 103 N -0.54 2.27 0.16 9.09 -3.43 -1.26 -4.92 115.29 116.64 2ysx s HIS 103 Ca -0.07 0.57 -0.31 0.00 -0.80 0.00 0.00 55.06 54.45 2ysx s HIS 103 Cb -0.04 -3.86 -0.18 0.00 -1.43 0.00 0.00 32.58 27.08 2ysx s HIS 103 CO 0.02 -2.85 0.67 1.28 -2.00 0.00 0.00 174.74 171.86 2ysx n LEU 104 N 7.63 -0.85 0.09 5.38 4.77 -1.25 -4.89 117.00 127.89 2ysx n LEU 104 Ca 0.17 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 2ysx n LEU 104 Cb 0.45 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2ysx n LEU 104 CO 0.62 -2.68 0.00 0.00 -1.33 0.00 0.00 177.39 174.00 2ysx n GLN 105 N 1.12 0.00 -3.75 3.23 6.02 -1.20 -4.91 117.38 117.89 2ysx n GLN 105 Ca 0.18 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.81 2ysx n GLN 105 Cb 0.21 -0.11 -0.11 0.00 1.02 0.00 0.00 30.24 31.26 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 -1.78 3.51 -0.93 1.08 2.02 -0.60 -5.04 117.35 115.62 2ysx s TYR 106 Ca 0.00 -2.54 -0.24 0.00 -0.37 0.00 0.00 57.07 53.92 2ysx s TYR 106 Cb 0.00 -3.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.29 2ysx s TYR 106 CO 0.00 -0.92 1.95 -1.25 -1.57 0.00 0.00 175.55 173.76 2ysx s PRO 107 N 0.65 2.55 -0.75 -1.71 0.04 -1.26 -3.49 135.00 131.03 2ysx s PRO 107 Ca 0.12 -0.37 -0.20 0.00 0.04 0.00 0.00 61.00 60.59 2ysx s PRO 107 Cb -0.22 -5.08 -0.19 0.00 0.04 0.00 0.00 34.50 29.06 2ysx s PRO 107 CO -0.04 -3.43 1.94 0.28 0.04 0.00 0.00 177.00 175.79 2ysx n VAL 108 N 7.87 0.00 -0.66 -0.36 0.31 -0.44 -4.55 118.33 120.49 2ysx n VAL 108 Ca 0.41 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 2ysx n VAL 108 Cb 0.47 -0.29 0.08 0.00 -0.91 0.00 0.00 33.84 33.18 2ysx n VAL 108 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2ysx n PRO 109 N 5.89 -1.69 -1.84 5.55 -0.04 -1.26 -4.53 135.00 137.08 2ysx n PRO 109 Ca 0.50 -0.55 -0.31 0.00 -0.04 0.00 0.00 63.50 63.11 2ysx n PRO 109 Cb 0.04 -0.51 0.02 0.00 -0.04 0.00 0.00 33.50 33.01 2ysx n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ysx s LEU 110 N 0.00 3.13 -0.43 1.53 1.43 -1.24 -4.97 118.68 118.13 2ysx s LEU 110 Ca 0.22 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.56 2ysx s LEU 110 Cb -0.02 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.93 2ysx s LEU 110 CO 0.17 -1.06 0.31 -1.61 0.23 0.00 0.00 176.35 174.39 2ysx s GLU 111 N -5.21 2.84 -0.23 1.70 0.41 -1.26 -5.03 118.70 111.92 2ysx s GLU 111 Ca 0.56 -1.29 -0.43 0.00 -0.41 0.00 0.00 54.97 53.40 2ysx s GLU 111 Cb -0.11 -3.94 -0.20 0.00 -1.78 0.00 0.00 34.13 28.10 2ysx s GLU 111 CO 0.54 -0.91 1.33 -1.91 -0.49 0.00 0.00 175.26 173.82 2ysx n GLU 112 N 5.08 0.06 -3.49 1.61 2.13 -1.26 -4.89 120.64 119.88 2ysx n GLU 112 Ca -0.11 0.02 -0.42 0.00 0.66 0.00 0.00 57.16 57.30 2ysx n GLU 112 Cb 0.44 -1.53 -0.10 0.00 0.27 0.00 0.00 31.44 30.52 2ysx n GLU 112 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ysx s GLU 113 N 1.45 2.93 -0.42 5.31 0.41 -1.26 -5.05 118.70 122.07 2ysx s GLU 113 Ca 0.97 -1.05 -0.27 0.00 -0.41 0.00 0.00 54.97 54.21 2ysx s GLU 113 Cb -1.36 -3.93 0.02 0.00 -1.78 0.00 0.00 34.13 27.09 2ysx s GLU 113 CO 0.68 -0.75 1.03 -0.51 -0.49 0.00 0.00 175.26 175.22 2ysx s ASP 114 N 1.68 6.66 -0.37 -0.19 1.01 -1.26 -4.90 116.67 119.29 2ysx s ASP 114 Ca 0.04 0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.85 2ysx s ASP 114 Cb -0.19 -2.50 0.46 0.00 1.01 0.00 0.00 42.92 41.69 2ysx s ASP 114 CO 0.09 -1.06 1.40 1.07 0.21 0.00 0.00 175.17 176.89 2ysx n THR 115 N 6.40 2.77 -3.54 -1.27 5.66 -1.26 -4.90 114.28 118.14 2ysx n THR 115 Ca 0.09 -3.78 -0.29 0.00 -3.05 0.00 0.00 64.05 57.03 2ysx n THR 115 Cb 0.48 -1.05 -0.13 0.00 -1.55 0.00 0.00 70.33 68.09 2ysx n THR 115 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ysx s GLY 116 N -3.10 0.86 -0.25 1.09 0.00 -1.26 -5.10 107.32 99.56 2ysx s GLY 116 Ca 0.53 -1.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.25 2ysx s GLY 116 CO 0.02 1.98 1.36 0.99 0.00 0.00 0.00 173.10 177.45 2ysx s ASP 117 N 1.33 6.68 0.38 1.64 1.11 -1.26 -5.00 116.67 121.55 2ysx s ASP 117 Ca 0.15 1.43 -0.24 0.00 0.18 0.00 0.00 52.55 54.06 2ysx s ASP 117 Cb -0.21 -2.54 -0.09 0.00 1.07 0.00 0.00 42.92 41.15 2ysx s ASP 117 CO -0.12 -1.03 1.01 -1.81 1.18 0.00 0.00 175.17 174.39 2ysx s ASP 118 N 2.87 6.96 0.00 0.27 1.01 -1.26 -5.32 116.67 121.20 2ysx s ASP 118 Ca 0.59 1.93 0.16 0.00 0.71 0.00 0.00 52.55 55.94 2ysx s ASP 118 Cb -0.20 -2.58 0.94 0.00 1.01 0.00 0.00 42.92 42.09 2ysx s ASP 118 CO 0.22 -0.35 1.35 -0.81 0.21 0.00 0.00 175.17 175.80