#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 0.19 0.21 1.61 0.15 -1.26 -5.05 113.70 109.55 2ysx s SER 2 Ca 0.00 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.15 2ysx s SER 2 Cb 0.00 0.11 0.26 0.00 -1.71 0.00 0.00 66.02 64.68 2ysx s SER 2 CO 0.00 -0.28 1.80 0.28 1.20 0.00 0.00 173.24 176.24 2ysx h SER 3 N 4.73 0.54 -3.80 5.45 0.02 -2.13 -3.48 113.55 114.88 2ysx h SER 3 Ca -0.31 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2ysx h SER 3 Cb 1.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2ysx h SER 3 CO 0.42 0.34 -0.14 0.61 -1.14 0.00 0.00 176.83 176.92 2ysx n GLY 4 N -1.29 -3.68 3.68 -3.77 0.00 -1.26 -4.87 105.19 94.00 2ysx n GLY 4 Ca 0.09 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2ysx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysx n SER 5 N -0.16 4.02 -4.02 1.61 2.88 -1.26 -4.97 113.62 111.71 2ysx n SER 5 Ca 0.00 0.97 -0.31 0.00 -1.33 0.00 0.00 58.87 58.19 2ysx n SER 5 Cb 0.00 -1.53 -0.15 0.00 -0.75 0.00 0.00 64.21 61.78 2ysx n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ysx s SER 6 N 3.20 3.97 0.00 -3.46 1.04 -1.26 -4.92 113.70 112.26 2ysx s SER 6 Ca 0.84 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2ysx s SER 6 Cb -0.49 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2ysx s SER 6 CO 0.39 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2ysx n GLY 7 N 4.56 -1.11 3.75 7.32 0.00 -1.26 -5.06 105.19 113.40 2ysx n GLY 7 Ca -0.14 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.10 4.26 -0.05 1.61 -2.45 -1.26 -4.99 119.30 116.31 2ysx s MET 8 Ca 0.00 0.52 -0.36 0.00 -1.25 0.00 0.00 55.69 54.59 2ysx s MET 8 Cb 0.00 -3.37 -0.18 0.00 1.25 0.00 0.00 34.83 32.53 2ysx s MET 8 CO 0.00 0.31 1.01 1.55 1.05 0.00 0.00 175.02 178.94 2ysx n VAL 9 N 3.09 0.00 -2.17 10.11 3.14 -1.26 -4.81 118.33 126.43 2ysx n VAL 9 Ca -0.08 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.87 2ysx n VAL 9 Cb 0.52 -0.05 -0.03 0.00 -1.06 0.00 0.00 33.84 33.22 2ysx n VAL 9 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2ysx s PRO 10 N 0.32 4.26 -0.04 1.45 0.04 -1.26 -4.90 135.00 134.86 2ysx s PRO 10 Ca 0.83 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.99 2ysx s PRO 10 Cb -1.16 -3.64 0.37 0.00 0.04 0.00 0.00 34.50 30.12 2ysx s PRO 10 CO 0.53 -0.64 1.23 0.00 0.04 0.00 0.00 177.00 178.17 2ysx n TRP 12 N 0.52 0.00 -3.84 0.00 4.27 -1.25 -3.38 117.44 113.75 2ysx n TRP 12 Ca 0.13 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.44 2ysx n TRP 12 Cb 0.47 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.28 2ysx n TRP 12 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2ysx s ASN 13 N -1.62 4.21 -0.00 -0.67 3.84 -1.23 0.40 114.94 119.87 2ysx s ASN 13 Ca 0.11 -2.15 -0.20 0.00 0.21 0.00 0.00 52.86 50.83 2ysx s ASN 13 Cb 0.10 -1.22 -0.11 0.00 -0.55 0.00 0.00 41.25 39.48 2ysx s ASN 13 CO 0.33 -0.36 0.90 0.45 -2.79 0.00 0.00 177.10 175.63 2ysx h HIS 14 N 7.50 -0.67 -0.68 0.43 3.86 -1.29 -3.47 115.15 120.83 2ysx h HIS 14 Ca -0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2ysx h HIS 14 Cb 0.99 0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2ysx h HIS 14 CO 0.43 -0.41 -0.08 0.41 0.86 0.00 0.00 177.93 179.14 2ysx n GLY 15 N -0.24 -3.59 2.54 2.45 0.00 -1.14 -4.90 105.19 100.31 2ysx n GLY 15 Ca -0.09 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 2ysx n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ysx n ASN 16 N -0.21 -2.03 -4.39 1.61 3.02 -1.26 -4.72 115.26 107.27 2ysx n ASN 16 Ca 0.00 -0.39 -0.29 0.00 -0.03 0.00 0.00 54.58 53.87 2ysx n ASN 16 Cb 0.00 -3.43 -0.13 0.00 -0.61 0.00 0.00 39.78 35.61 2ysx n ASN 16 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2ysx s ILE 17 N -3.23 2.27 0.35 2.41 -4.36 -1.26 -4.96 121.20 112.42 2ysx s ILE 17 Ca 0.00 -1.76 -0.25 0.00 -0.26 0.00 0.00 60.65 58.38 2ysx s ILE 17 Cb -0.00 -2.01 -0.09 0.00 1.25 0.00 0.00 42.46 41.61 2ysx s ILE 17 CO 0.46 0.09 1.00 0.28 0.24 0.00 0.00 174.94 177.01 2ysx s THR 18 N -1.07 3.94 0.23 8.37 -1.32 -1.26 -4.81 115.64 119.74 2ysx s THR 18 Ca 0.14 1.58 -0.10 0.00 -1.21 0.00 0.00 61.69 62.10 2ysx s THR 18 Cb -0.10 -3.86 0.34 0.00 -1.51 0.00 0.00 72.50 67.37 2ysx s THR 18 CO 0.06 0.10 1.39 -1.14 -2.21 0.00 0.00 174.62 172.82 2ysx n ARG 19 N 0.33 -0.12 -0.21 7.08 0.63 -1.26 -0.19 116.66 122.91 2ysx n ARG 19 Ca 0.03 1.38 -0.10 0.00 -0.92 0.00 0.00 57.85 58.24 2ysx n ARG 19 Cb 0.49 -2.06 -0.06 0.00 0.45 0.00 0.00 32.46 31.28 2ysx n ARG 19 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ysx h SER 20 N 0.00 -1.70 -0.55 6.15 0.87 -2.00 -0.09 113.55 116.24 2ysx h SER 20 Ca 0.39 0.26 0.11 0.00 -1.23 0.00 0.00 61.79 61.31 2ysx h SER 20 Cb 0.61 0.74 -0.10 0.00 -0.44 0.00 0.00 62.40 63.21 2ysx h SER 20 CO -0.91 -0.35 -0.14 0.50 -0.53 0.00 0.00 176.83 175.41 2ysx h LYS 21 N -0.26 -0.00 -0.81 2.24 1.63 -0.95 0.37 116.57 118.79 2ysx h LYS 21 Ca 0.14 0.00 0.20 0.00 -0.85 0.00 0.00 60.65 60.14 2ysx h LYS 21 Cb 0.56 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.06 2ysx h LYS 21 CO -0.69 -0.00 0.19 0.00 -3.45 0.00 0.00 179.45 175.49 2ysx h ALA 22 N 1.54 1.09 0.09 5.00 0.00 -0.69 0.19 119.26 126.48 2ysx h ALA 22 Ca 0.26 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2ysx h ALA 22 Cb 0.40 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ysx h ALA 22 CO -0.57 -0.40 -0.04 0.93 0.00 0.00 0.00 179.25 179.17 2ysx h GLU 23 N 0.23 -0.12 -0.99 0.00 5.08 -0.48 -3.25 114.58 115.04 2ysx h GLU 23 Ca 0.48 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 59.02 2ysx h GLU 23 Cb 0.89 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.00 2ysx h GLU 23 CO -0.60 -0.08 -0.33 -1.91 -1.00 0.00 0.00 179.01 175.10 2ysx n GLU 24 N -4.18 -0.17 -0.09 2.33 4.07 0.11 -0.37 120.64 122.35 2ysx n GLU 24 Ca -0.01 1.54 -0.10 0.00 -0.06 0.00 0.00 57.16 58.52 2ysx n GLU 24 Cb 0.05 -2.29 -0.04 0.00 -0.06 0.00 0.00 31.44 29.10 2ysx n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ysx h LEU 25 N 0.00 -1.31 0.11 4.31 3.38 -0.77 0.30 115.31 121.32 2ysx h LEU 25 Ca 0.40 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.57 2ysx h LEU 25 Cb 0.65 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2ysx h LEU 25 CO -1.00 -0.37 -0.08 -0.07 0.09 0.00 0.00 178.44 177.01 2ysx h LEU 26 N -0.36 -0.21 -0.88 1.67 3.38 -0.74 -2.65 115.31 115.54 2ysx h LEU 26 Ca 0.13 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.35 2ysx h LEU 26 Cb 0.58 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.23 2ysx h LEU 26 CO -0.51 -0.11 0.00 -0.24 0.09 0.00 0.00 178.44 177.66 2ysx n SER 27 N -2.70 -0.12 0.10 -0.43 2.88 -0.45 0.04 113.62 112.95 2ysx n SER 27 Ca -0.02 1.49 -0.15 0.00 -1.33 0.00 0.00 58.87 58.86 2ysx n SER 27 Cb 0.08 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 2ysx n SER 27 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2ysx h ARG 28 N 0.00 -0.66 0.71 -1.46 3.08 -0.70 -3.12 114.38 112.22 2ysx h ARG 28 Ca 0.52 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.59 2ysx h ARG 28 Cb 1.07 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2ysx h ARG 28 CO -0.83 -0.44 -0.37 1.15 -1.07 0.00 0.00 179.97 178.41 2ysx h THR 29 N -0.69 0.00 -5.66 2.04 2.02 -0.04 -3.48 112.91 107.11 2ysx h THR 29 Ca 0.02 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 2ysx h THR 29 Cb 0.72 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2ysx h THR 29 CO -0.28 0.00 -0.54 0.61 0.37 0.00 0.00 175.52 175.68 2ysx n GLY 30 N -1.50 -1.05 0.62 2.16 0.00 -0.32 -4.96 105.19 100.14 2ysx n GLY 30 Ca -0.12 0.97 0.05 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.91 0.67 -4.26 1.61 5.02 -1.26 -4.99 118.16 114.05 2ysx n LYS 31 Ca 0.01 -2.12 -0.37 0.00 -2.02 0.00 0.00 58.31 53.81 2ysx n LYS 31 Cb 0.53 -0.89 -0.05 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.51 -2.49 0.00 4.39 5.75 -1.26 -4.54 116.55 117.88 2ysx n ASP 32 Ca 0.10 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 2ysx n ASP 32 Cb 0.78 -2.10 0.00 0.00 -1.03 0.00 0.00 41.12 38.77 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 -1.16 0.00 3.88 6.12 0.00 -1.23 -4.94 105.19 107.85 2ysx n GLY 33 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 6.54 -0.16 1.61 0.01 -1.26 -2.03 113.70 118.41 2ysx s SER 34 Ca 0.00 1.05 -0.25 0.00 1.31 0.00 0.00 55.95 58.06 2ysx s SER 34 Cb 0.00 -2.29 0.06 0.00 0.21 0.00 0.00 66.02 64.01 2ysx s SER 34 CO 0.00 -0.32 0.64 0.72 0.41 0.00 0.00 173.24 174.68 2ysx s PHE 35 N -2.25 -0.65 0.11 2.43 -0.71 -1.25 -1.29 117.98 114.37 2ysx s PHE 35 Ca 0.50 1.42 -0.12 0.00 -1.04 0.00 0.00 56.93 57.68 2ysx s PHE 35 Cb -0.10 0.29 0.02 0.00 -1.21 0.00 0.00 43.02 42.01 2ysx s PHE 35 CO 0.29 -0.44 0.30 -0.48 -1.34 0.00 0.00 175.22 173.55 2ysx s LEU 36 N -0.32 0.89 0.08 -1.99 0.05 -0.79 -3.22 118.68 113.38 2ysx s LEU 36 Ca -0.05 -0.49 0.09 0.00 0.05 0.00 0.00 54.13 53.73 2ysx s LEU 36 Cb -0.03 1.45 -0.03 0.00 -2.05 0.00 0.00 46.19 45.53 2ysx s LEU 36 CO 0.04 -0.80 -0.23 -0.69 -0.55 0.00 0.00 176.35 174.12 2ysx s VAL 37 N -3.84 2.45 0.23 1.48 1.01 0.16 -0.03 120.40 121.87 2ysx s VAL 37 Ca 0.04 -1.47 -0.01 0.00 0.00 0.00 0.00 61.98 60.55 2ysx s VAL 37 Cb 0.03 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2ysx s VAL 37 CO -0.11 0.23 0.19 0.00 0.00 0.00 0.00 175.10 175.41 2ysx s ARG 38 N -1.69 1.34 -0.65 2.72 1.70 -0.69 -0.84 118.95 120.84 2ysx s ARG 38 Ca 0.14 -1.67 -0.16 0.00 -0.47 0.00 0.00 55.73 53.57 2ysx s ARG 38 Cb -0.10 0.30 0.15 0.00 -0.57 0.00 0.00 34.95 34.73 2ysx s ARG 38 CO 0.05 -0.46 0.65 0.00 -1.08 0.00 0.00 175.30 174.46 2ysx s ALA 39 N -4.00 3.72 -0.29 7.88 0.00 -1.26 -1.70 121.76 126.10 2ysx s ALA 39 Ca 0.38 -2.72 -0.39 0.00 0.00 0.00 0.00 51.96 49.23 2ysx s ALA 39 Cb 0.05 -3.43 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 2ysx s ALA 39 CO 0.15 -2.20 1.25 0.45 0.00 0.00 0.00 175.76 175.40 2ysx n SER 40 N 5.15 0.71 -0.33 0.00 2.88 -1.22 -4.42 113.62 116.38 2ysx n SER 40 Ca -0.03 1.04 0.04 0.00 -1.33 0.00 0.00 58.87 58.59 2ysx n SER 40 Cb 0.43 -0.79 0.19 0.00 -0.75 0.00 0.00 64.21 63.30 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 3.81 0.91 0.00 -1.46 4.11 -1.93 -3.10 114.58 116.93 2ysx h GLU 41 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2ysx h GLU 41 Cb 1.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ysx h GLU 41 CO 0.76 0.61 0.00 0.43 0.07 0.00 0.00 179.01 180.88 2ysx n SER 42 N -4.65 0.00 -4.13 3.06 7.64 -1.26 -4.42 113.62 109.86 2ysx n SER 42 Ca 0.16 0.80 -0.36 0.00 1.01 0.00 0.00 58.87 60.48 2ysx n SER 42 Cb 0.28 -0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.21 3.28 0.25 0.44 -1.09 -1.20 -4.98 121.20 115.70 2ysx s ILE 43 Ca 0.00 -1.99 -0.07 0.00 -2.23 0.00 0.00 60.65 56.35 2ysx s ILE 43 Cb 0.00 -3.22 0.32 0.00 -1.58 0.00 0.00 42.46 37.98 2ysx s ILE 43 CO 0.00 -0.64 1.61 -1.28 -1.23 0.00 0.00 174.94 173.40 2ysx h SER 44 N 8.05 -0.53 -1.11 3.58 0.87 -1.75 0.73 113.55 123.39 2ysx h SER 44 Ca -0.14 0.23 0.31 0.00 -1.23 0.00 0.00 61.79 60.95 2ysx h SER 44 Cb 1.05 0.43 -0.08 0.00 -0.44 0.00 0.00 62.40 63.36 2ysx h SER 44 CO 0.69 -0.24 0.75 0.03 -0.53 0.00 0.00 176.83 177.53 2ysx h ARG 45 N 0.05 0.21 -7.48 2.24 2.47 -1.93 -3.41 114.38 106.51 2ysx h ARG 45 Ca 0.43 -0.01 -0.48 0.00 -1.26 0.00 0.00 59.98 58.66 2ysx h ARG 45 Cb 0.73 -0.05 0.09 0.00 -1.65 0.00 0.00 29.97 29.09 2ysx h ARG 45 CO -0.77 0.14 0.36 0.00 0.56 0.00 0.00 179.97 180.26 2ysx s ALA 46 N -5.25 2.86 0.29 0.04 0.00 0.26 -4.79 121.76 115.16 2ysx s ALA 46 Ca -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2ysx s ALA 46 Cb 0.25 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2ysx s ALA 46 CO 0.80 -1.38 0.11 0.66 0.00 0.00 0.00 175.76 175.95 2ysx n TYR 47 N -3.10 0.06 -3.38 0.00 4.01 -0.71 -3.40 117.16 110.64 2ysx n TYR 47 Ca 0.07 -1.88 -0.06 0.00 -0.16 0.00 0.00 57.90 55.87 2ysx n TYR 47 Cb 0.59 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.56 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 -2.80 -1.35 -0.50 -0.72 0.00 -0.69 0.02 121.76 115.73 2ysx s ALA 48 Ca 0.15 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 2ysx s ALA 48 Cb 0.01 -1.70 0.05 0.00 0.00 0.00 0.00 23.12 21.48 2ysx s ALA 48 CO 0.11 -1.17 0.62 -1.17 0.00 0.00 0.00 175.76 174.14 2ysx s LEU 49 N 2.63 4.93 0.38 0.00 2.96 -0.34 -1.70 118.68 127.54 2ysx s LEU 49 Ca 0.11 -0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 53.11 2ysx s LEU 49 Cb -0.15 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 2ysx s LEU 49 CO -0.16 -0.87 0.67 0.00 -1.32 0.00 0.00 176.35 174.67 2ysx s VAL 51 N -2.38 -0.02 -0.05 0.00 1.01 -0.78 -1.89 120.40 116.29 2ysx s VAL 51 Ca 0.46 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 2ysx s VAL 51 Cb -0.10 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 2ysx s VAL 51 CO 0.36 0.03 0.39 -0.22 0.00 0.00 0.00 175.10 175.65 2ysx s LEU 52 N 0.80 4.39 -0.29 3.92 2.96 -0.41 -0.84 118.68 129.22 2ysx s LEU 52 Ca -0.05 0.84 -0.16 0.00 -0.22 0.00 0.00 54.13 54.54 2ysx s LEU 52 Cb -0.06 -2.55 0.16 0.00 0.50 0.00 0.00 46.19 44.24 2ysx s LEU 52 CO -0.06 0.23 1.03 -0.47 -1.32 0.00 0.00 176.35 175.76 2ysx s TYR 53 N -0.48 -0.50 -1.37 5.38 6.14 -0.68 -3.58 117.35 122.27 2ysx s TYR 53 Ca 0.23 0.97 -0.05 0.00 0.64 0.00 0.00 57.07 58.86 2ysx s TYR 53 Cb -0.16 0.30 0.03 0.00 0.42 0.00 0.00 41.96 42.55 2ysx s TYR 53 CO 0.11 -0.25 0.85 0.54 0.64 0.00 0.00 175.55 177.44 2ysx n ARG 54 N 3.82 -5.52 -2.84 4.97 5.12 -1.26 -0.98 116.66 119.97 2ysx n ARG 54 Ca -0.17 0.65 -0.18 0.00 -1.93 0.00 0.00 57.85 56.23 2ysx n ARG 54 Cb 0.57 -5.39 -0.00 0.00 -1.16 0.00 0.00 32.46 26.47 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 -3.00 -4.14 -3.79 0.55 3.02 -1.26 -4.94 115.26 101.70 2ysx n ASN 55 Ca -0.18 -0.08 -0.15 0.00 -0.03 0.00 0.00 54.58 54.15 2ysx n ASN 55 Cb 0.62 -3.46 -0.16 0.00 -0.61 0.00 0.00 39.78 36.18 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 0.95 4.74 -0.30 0.00 1.01 -1.26 -1.68 120.40 123.86 2ysx s VAL 57 Ca -0.08 1.03 0.01 0.00 0.00 0.00 0.00 61.98 62.94 2ysx s VAL 57 Cb -0.12 -3.80 0.09 0.00 0.00 0.00 0.00 36.38 32.56 2ysx s VAL 57 CO -0.02 0.26 0.06 -0.31 0.00 0.00 0.00 175.10 175.09 2ysx s TYR 58 N -1.45 2.36 0.02 5.22 1.51 -0.02 -4.93 117.35 120.06 2ysx s TYR 58 Ca 0.39 -2.05 -0.28 0.00 -1.01 0.00 0.00 57.07 54.11 2ysx s TYR 58 Cb -0.16 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2ysx s TYR 58 CO 0.20 -0.87 0.91 0.99 -1.11 0.00 0.00 175.55 175.67 2ysx s THR 59 N 1.39 4.79 -0.55 -0.71 2.01 -1.26 -1.86 115.64 119.45 2ysx s THR 59 Ca 0.07 1.92 0.04 0.00 0.31 0.00 0.00 61.69 64.03 2ysx s THR 59 Cb -0.18 -4.25 0.15 0.00 0.01 0.00 0.00 72.50 68.22 2ysx s THR 59 CO -0.17 0.24 0.34 -0.31 -0.69 0.00 0.00 174.62 174.03 2ysx s TYR 60 N 0.61 2.79 0.53 4.92 2.02 0.01 -4.93 117.35 123.29 2ysx s TYR 60 Ca 0.47 -2.95 -0.21 0.00 -0.37 0.00 0.00 57.07 54.01 2ysx s TYR 60 Cb -0.21 -2.35 -0.07 0.00 -0.40 0.00 0.00 41.96 38.93 2ysx s TYR 60 CO 0.26 -0.69 0.94 0.54 -1.57 0.00 0.00 175.55 175.03 2ysx n ARG 61 N 2.81 1.06 -3.81 -0.62 1.74 -1.26 -1.19 116.66 115.38 2ysx n ARG 61 Ca 0.13 0.39 -0.30 0.00 -0.77 0.00 0.00 57.85 57.31 2ysx n ARG 61 Cb 0.35 -2.09 -0.15 0.00 -1.02 0.00 0.00 32.46 29.56 2ysx n ARG 61 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ysx s ILE 62 N -1.45 1.33 0.27 0.55 1.01 0.10 -3.51 121.20 119.50 2ysx s ILE 62 Ca 0.70 -1.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 2ysx s ILE 62 Cb -0.47 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 2ysx s ILE 62 CO 0.52 -0.67 0.85 -0.76 0.00 0.00 0.00 174.94 174.87 2ysx s LEU 63 N 1.31 4.38 0.63 2.97 2.01 -1.26 -1.74 118.68 126.98 2ysx s LEU 63 Ca 0.11 1.67 -0.16 0.00 0.01 0.00 0.00 54.13 55.75 2ysx s LEU 63 Cb -0.18 -3.76 -0.02 0.00 0.01 0.00 0.00 46.19 42.24 2ysx s LEU 63 CO -0.18 0.01 1.12 -2.16 1.01 0.00 0.00 176.35 176.14 2ysx s PRO 64 N -1.89 2.94 0.52 1.29 0.04 -1.26 -4.06 135.00 132.58 2ysx s PRO 64 Ca 0.46 1.45 0.06 0.00 0.04 0.00 0.00 61.00 63.01 2ysx s PRO 64 Cb -0.19 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2ysx s PRO 64 CO 0.23 -1.15 0.44 1.21 0.04 0.00 0.00 177.00 177.78 2ysx s ASN 65 N -2.37 4.75 0.19 6.66 3.84 0.67 -4.83 114.94 123.86 2ysx s ASN 65 Ca 0.69 -1.11 -0.21 0.00 0.21 0.00 0.00 52.86 52.43 2ysx s ASN 65 Cb -0.21 0.21 0.10 0.00 -0.55 0.00 0.00 41.25 40.80 2ysx s ASN 65 CO 0.38 -1.05 1.43 1.21 -2.79 0.00 0.00 177.10 176.28 2ysx n GLU 66 N -1.78 -0.29 -0.86 0.43 4.07 -1.26 0.15 120.64 121.10 2ysx n GLU 66 Ca 0.02 1.41 -0.15 0.00 -0.06 0.00 0.00 57.16 58.37 2ysx n GLU 66 Cb 0.64 -2.08 0.04 0.00 -0.06 0.00 0.00 31.44 29.97 2ysx n GLU 66 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2ysx n ASP 67 N -5.27 6.30 -3.12 4.31 -0.08 -1.26 -4.79 116.55 112.63 2ysx n ASP 67 Ca 0.06 -3.01 -0.20 0.00 -1.51 0.00 0.00 54.79 50.13 2ysx n ASP 67 Cb 0.32 -1.05 -0.01 0.00 2.34 0.00 0.00 41.12 42.72 2ysx n ASP 67 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ysx n ASP 68 N 0.40 -3.52 -4.77 1.67 -0.08 0.40 -4.91 116.55 105.74 2ysx n ASP 68 Ca 0.28 -0.21 -0.39 0.00 -1.51 0.00 0.00 54.79 52.96 2ysx n ASP 68 Cb 0.59 -2.95 -0.06 0.00 2.34 0.00 0.00 41.12 41.04 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2ysx s LYS 69 N -5.75 4.65 -0.45 -0.67 -0.14 -1.22 -4.58 119.74 111.58 2ysx s LYS 69 Ca 0.29 1.28 -0.14 0.00 -1.36 0.00 0.00 55.97 56.04 2ysx s LYS 69 Cb -0.15 -3.16 0.07 0.00 -1.68 0.00 0.00 37.83 32.90 2ysx s LYS 69 CO 0.36 0.49 0.36 -0.06 -0.76 0.00 0.00 175.35 175.74 2ysx s PHE 70 N -1.27 3.26 -0.32 3.18 0.08 -0.38 -0.23 117.98 122.30 2ysx s PHE 70 Ca 0.41 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.49 2ysx s PHE 70 Cb -0.23 -3.04 0.10 0.00 -0.57 0.00 0.00 43.02 39.28 2ysx s PHE 70 CO 0.28 -0.77 0.09 0.95 -0.10 0.00 0.00 175.22 175.66 2ysx s THR 71 N 1.61 1.23 0.16 0.64 -4.23 -1.26 -3.90 115.64 109.90 2ysx s THR 71 Ca 0.04 -1.64 -0.32 0.00 -1.18 0.00 0.00 61.69 58.59 2ysx s THR 71 Cb -0.23 -1.93 -0.17 0.00 1.34 0.00 0.00 72.50 71.51 2ysx s THR 71 CO 0.06 -0.66 0.87 0.52 -0.54 0.00 0.00 174.62 174.87 2ysx n VAL 72 N 4.69 1.29 -3.01 2.29 0.31 -1.26 -4.59 118.33 118.05 2ysx n VAL 72 Ca -0.00 -0.32 -0.43 0.00 -0.01 0.00 0.00 64.34 63.57 2ysx n VAL 72 Cb 0.42 -0.35 -0.05 0.00 -0.91 0.00 0.00 33.84 32.95 2ysx n VAL 72 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2ysx s GLN 73 N -0.69 3.21 0.37 5.55 -0.21 -1.23 -5.01 119.66 121.65 2ysx s GLN 73 Ca 0.71 -0.63 0.06 0.00 0.02 0.00 0.00 55.36 55.53 2ysx s GLN 73 Cb -0.95 -4.09 -0.02 0.00 1.00 0.00 0.00 33.01 28.95 2ysx s GLN 73 CO 0.56 -1.37 0.23 0.00 -2.12 0.00 0.00 175.29 172.59 2ysx n ALA 74 N 6.79 0.67 -0.74 6.09 0.00 -1.26 -4.88 120.51 127.17 2ysx n ALA 74 Ca -0.03 -2.04 -0.33 0.00 0.00 0.00 0.00 53.44 51.05 2ysx n ALA 74 Cb 0.46 1.52 0.14 0.00 0.00 0.00 0.00 19.45 21.58 2ysx n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ysx n SER 75 N -1.60 -2.09 -4.69 0.00 7.64 -1.26 -4.92 113.62 106.70 2ysx n SER 75 Ca 0.02 0.17 -0.32 0.00 1.01 0.00 0.00 58.87 59.74 2ysx n SER 75 Cb 0.62 -1.14 0.15 0.00 -1.01 0.00 0.00 64.21 62.83 2ysx n SER 75 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ysx s GLU 76 N -3.63 1.31 -0.03 1.43 -1.05 -1.26 -4.98 118.70 110.49 2ysx s GLU 76 Ca 0.57 1.65 -0.29 0.00 -0.15 0.00 0.00 54.97 56.75 2ysx s GLU 76 Cb -0.18 -1.75 0.10 0.00 -0.44 0.00 0.00 34.13 31.86 2ysx s GLU 76 CO 0.67 -2.44 0.89 0.20 0.95 0.00 0.00 175.26 175.53 2ysx s GLY 77 N -2.42 -0.44 -0.05 -3.83 0.00 -1.26 -4.98 107.32 94.34 2ysx s GLY 77 Ca 0.70 1.18 0.04 0.00 0.00 0.00 0.00 44.72 46.63 2ysx s GLY 77 CO 0.54 0.46 0.88 3.33 0.00 0.00 0.00 173.10 178.31 2ysx n VAL 78 N -0.05 0.59 -3.10 1.40 0.24 -1.26 -4.14 118.33 112.01 2ysx n VAL 78 Ca -0.09 -0.32 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 2ysx n VAL 78 Cb 0.61 -0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.13 2.58 -4.54 -1.34 7.64 -1.26 -5.05 113.62 111.78 2ysx n SER 79 Ca 0.07 -3.31 -0.41 0.00 1.01 0.00 0.00 58.87 56.22 2ysx n SER 79 Cb 0.41 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 2ysx n SER 79 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2ysx s MET 80 N -2.81 3.21 0.16 1.43 -1.94 -1.26 -4.99 119.30 113.09 2ysx s MET 80 Ca 0.44 -0.39 0.08 0.00 -1.71 0.00 0.00 55.69 54.10 2ysx s MET 80 Cb 0.30 -4.26 -0.04 0.00 2.01 0.00 0.00 34.83 32.83 2ysx s MET 80 CO -0.10 -2.10 -0.17 1.03 -0.01 0.00 0.00 175.02 173.66 2ysx s ARG 81 N 5.42 1.22 -0.03 2.03 0.52 -1.26 -5.15 118.95 121.70 2ysx s ARG 81 Ca 0.34 -1.37 0.08 0.00 -0.52 0.00 0.00 55.73 54.25 2ysx s ARG 81 Cb -0.09 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2ysx s ARG 81 CO 0.13 0.25 -0.26 -0.06 0.02 0.00 0.00 175.30 175.38 2ysx s PHE 82 N -2.08 2.32 -0.06 -0.53 0.40 -1.26 -4.93 117.98 111.83 2ysx s PHE 82 Ca 0.14 -0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2ysx s PHE 82 Cb -0.05 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 42.02 2ysx s PHE 82 CO 0.06 -0.07 0.11 -0.06 0.70 0.00 0.00 175.22 175.96 2ysx s PHE 83 N -0.53 -0.06 -0.25 0.36 0.40 -1.25 -5.01 117.98 111.63 2ysx s PHE 83 Ca 0.08 0.43 0.22 0.00 -0.60 0.00 0.00 56.93 57.05 2ysx s PHE 83 Cb -0.10 -0.35 0.44 0.00 0.51 0.00 0.00 43.02 43.52 2ysx s PHE 83 CO -0.00 -0.22 1.63 0.00 0.70 0.00 0.00 175.22 177.33 2ysx h THR 84 N 6.38 0.28 -3.63 0.64 1.03 -1.87 -0.99 112.91 114.76 2ysx h THR 84 Ca -0.16 -1.28 -0.69 0.00 -0.01 0.00 0.00 66.41 64.27 2ysx h THR 84 Cb 1.12 2.04 -0.24 0.00 -1.07 0.00 0.00 68.15 70.00 2ysx h THR 84 CO 0.18 0.15 -0.55 -0.54 -0.01 0.00 0.00 175.52 174.75 2ysx s LYS 85 N -3.24 3.11 0.27 0.00 -0.14 -1.26 -4.51 119.74 113.97 2ysx s LYS 85 Ca 0.05 -0.87 -0.07 0.00 -1.36 0.00 0.00 55.97 53.72 2ysx s LYS 85 Cb 0.07 -3.59 0.47 0.00 -1.68 0.00 0.00 37.83 33.09 2ysx s LYS 85 CO 0.67 -0.52 1.59 -0.07 -0.76 0.00 0.00 175.35 176.26 2ysx h LEU 86 N 8.36 -0.70 -0.75 3.17 -0.00 -1.92 0.56 115.31 124.02 2ysx h LEU 86 Ca -0.30 0.26 0.15 0.00 -0.00 0.00 0.00 57.88 57.99 2ysx h LEU 86 Cb 1.13 0.51 -0.10 0.00 -0.00 0.00 0.00 40.66 42.20 2ysx h LEU 86 CO 0.63 -0.29 0.28 -0.78 -0.00 0.00 0.00 178.44 178.28 2ysx h ASP 87 N 0.02 0.24 0.79 -0.43 3.58 -1.97 0.63 116.42 119.27 2ysx h ASP 87 Ca 0.46 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 58.02 2ysx h ASP 87 Cb 0.77 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 2ysx h ASP 87 CO -0.89 0.08 -0.00 1.56 -2.88 0.00 0.00 179.24 177.11 2ysx h GLN 88 N 0.42 0.00 0.06 0.28 1.08 -0.31 -1.65 115.11 114.99 2ysx h GLN 88 Ca 0.42 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.29 2ysx h GLN 88 Cb 0.65 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 2ysx h GLN 88 CO -0.42 0.00 -1.81 1.25 -0.95 0.00 0.00 178.83 176.90 2ysx h LEU 89 N 0.00 0.21 -0.12 1.46 6.46 0.82 -3.29 115.31 120.85 2ysx h LEU 89 Ca -0.00 -0.45 -0.08 0.00 -0.12 0.00 0.00 57.88 57.23 2ysx h LEU 89 Cb 0.40 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2ysx h LEU 89 CO 0.00 1.41 -0.23 0.40 -0.62 0.00 0.00 178.44 179.39 2ysx h ILE 90 N 0.04 1.38 -0.59 4.05 1.08 -0.00 -1.66 117.51 121.80 2ysx h ILE 90 Ca -0.34 -1.50 0.03 0.00 -0.39 0.00 0.00 64.86 62.67 2ysx h ILE 90 Cb 2.02 2.05 -0.03 0.00 -3.07 0.00 0.00 36.82 37.79 2ysx h ILE 90 CO 0.09 0.44 0.39 1.05 -0.69 0.00 0.00 178.15 179.43 2ysx h GLU 91 N -0.04 0.67 -0.00 2.37 -0.00 -1.49 -0.25 114.58 115.84 2ysx h GLU 91 Ca 0.01 -0.04 -0.24 0.00 -0.00 0.00 0.00 59.36 59.08 2ysx h GLU 91 Cb 0.82 -0.15 0.01 0.00 -0.00 0.00 0.00 28.75 29.43 2ysx h GLU 91 CO 0.05 0.45 -0.98 0.35 -0.00 0.00 0.00 179.01 178.88 2ysx h PHE 92 N 0.69 0.80 -0.45 2.06 3.04 -1.62 -3.26 116.94 118.20 2ysx h PHE 92 Ca 0.24 -0.43 -0.10 0.00 3.98 0.00 0.00 57.97 61.66 2ysx h PHE 92 Cb 0.09 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 2ysx h PHE 92 CO -0.00 1.26 -0.11 1.88 -2.02 0.00 0.00 178.31 179.31 2ysx h TYR 93 N 0.31 0.92 -1.11 0.41 -1.99 -0.56 -3.04 116.97 111.90 2ysx h TYR 93 Ca -0.10 -0.17 0.37 0.00 2.00 0.00 0.00 58.73 60.83 2ysx h TYR 93 Cb 1.62 -0.23 -0.10 0.00 2.00 0.00 0.00 36.73 40.02 2ysx h TYR 93 CO 0.08 0.89 0.73 1.63 -0.00 0.00 0.00 178.16 181.49 2ysx n LYS 94 N -4.16 -0.02 -2.05 4.88 5.02 -0.17 -4.27 118.16 117.38 2ysx n LYS 94 Ca 0.01 0.92 -0.41 0.00 -2.02 0.00 0.00 58.31 56.81 2ysx n LYS 94 Cb 0.38 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 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 -4.76 4.29 0.14 1.97 2.36 -1.15 -4.20 119.74 118.39 2ysx s LYS 95 Ca -0.05 2.25 -0.34 0.00 -2.55 0.00 0.00 55.97 55.28 2ysx s LYS 95 Cb 0.23 -3.13 -0.17 0.00 -1.05 0.00 0.00 37.83 33.71 2ysx s LYS 95 CO 0.62 -0.40 1.13 -0.85 1.55 0.00 0.00 175.35 177.41 2ysx n GLU 96 N 2.55 0.92 -3.63 4.03 0.28 -1.26 -4.90 120.64 118.62 2ysx n GLU 96 Ca 0.07 0.33 -0.01 0.00 -0.16 0.00 0.00 57.16 57.39 2ysx n GLU 96 Cb 0.41 -1.81 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 2ysx n GLU 96 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2ysx s ASN 97 N 0.01 -1.10 0.54 -1.84 3.84 -1.26 -5.01 114.94 110.11 2ysx s ASN 97 Ca 0.77 1.52 0.48 0.00 0.21 0.00 0.00 52.86 55.84 2ysx s ASN 97 Cb -0.93 2.25 1.70 0.00 -0.55 0.00 0.00 41.25 43.72 2ysx s ASN 97 CO 0.52 -0.21 1.55 0.80 -2.79 0.00 0.00 177.10 176.97 2ysx n MET 98 N 5.40 -0.00 0.00 0.43 0.00 -1.26 -2.99 117.12 118.70 2ysx n MET 98 Ca -0.12 1.10 0.00 0.00 -0.00 0.00 0.00 57.70 58.68 2ysx n MET 98 Cb 0.49 -2.49 0.00 0.00 0.00 0.00 0.00 33.22 31.23 2ysx n MET 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ysx n GLY 99 N -1.87 -0.22 3.65 -5.12 0.00 -1.26 -4.55 105.19 95.83 2ysx n GLY 99 Ca 0.44 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.13 2.50 0.41 0.99 1.43 -1.16 -4.89 118.68 117.83 2ysx s LEU 100 Ca 0.00 2.01 0.11 0.00 -1.03 0.00 0.00 54.13 55.22 2ysx s LEU 100 Cb 0.00 -4.34 0.86 0.00 0.03 0.00 0.00 46.19 42.74 2ysx s LEU 100 CO 0.00 -3.16 1.96 1.62 0.23 0.00 0.00 176.35 176.99 2ysx h VAL 101 N -1.91 1.15 -2.66 -1.59 3.04 -1.88 -3.44 116.25 108.96 2ysx h VAL 101 Ca -0.46 -0.64 -0.11 0.00 -1.01 0.00 0.00 66.70 64.48 2ysx h VAL 101 Cb 1.28 1.15 -0.23 0.00 -2.01 0.00 0.00 31.29 31.47 2ysx h VAL 101 CO 0.45 0.20 -0.19 0.28 -1.01 0.00 0.00 177.57 177.30 2ysx s THR 102 N -4.81 0.00 0.13 3.17 -1.32 -1.26 -5.09 115.64 106.46 2ysx s THR 102 Ca -0.05 -0.02 -0.31 0.00 -1.21 0.00 0.00 61.69 60.09 2ysx s THR 102 Cb 0.16 -0.63 -0.09 0.00 -1.51 0.00 0.00 72.50 70.42 2ysx s THR 102 CO 0.72 -0.01 1.54 -1.38 -2.21 0.00 0.00 174.62 173.28 2ysx s HIS 103 N 0.14 2.97 -0.43 9.09 0.00 -1.26 -4.85 115.29 120.95 2ysx s HIS 103 Ca -0.01 0.64 -0.43 0.00 -3.00 0.00 0.00 55.06 52.26 2ysx s HIS 103 Cb -0.03 -3.87 -0.18 0.00 -4.00 0.00 0.00 32.58 24.50 2ysx s HIS 103 CO 0.01 -3.25 1.88 1.28 -1.00 0.00 0.00 174.74 173.65 2ysx n LEU 104 N 4.32 1.45 -0.09 5.38 4.77 -1.26 -4.85 117.00 126.73 2ysx n LEU 104 Ca 0.14 0.90 -0.09 0.00 -0.03 0.00 0.00 56.01 56.93 2ysx n LEU 104 Cb 0.40 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 2ysx n LEU 104 CO 0.61 -0.71 -0.63 0.00 -1.33 0.00 0.00 177.39 175.33 2ysx n GLN 105 N 5.96 0.51 -3.97 3.23 6.02 -0.86 -4.84 117.38 123.43 2ysx n GLN 105 Ca 0.39 0.29 -0.22 0.00 -0.01 0.00 0.00 57.00 57.44 2ysx n GLN 105 Cb 0.03 -1.49 -0.17 0.00 1.02 0.00 0.00 30.24 29.62 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 -2.74 0.85 -0.69 1.08 1.51 -1.10 -5.07 117.35 111.18 2ysx s TYR 106 Ca -0.26 -0.28 -0.26 0.00 -1.01 0.00 0.00 57.07 55.26 2ysx s TYR 106 Cb 0.04 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 2ysx s TYR 106 CO 0.39 -0.30 1.88 -1.25 -1.11 0.00 0.00 175.55 175.16 2ysx s PRO 107 N 1.47 2.61 0.13 -1.71 0.04 -1.26 -3.97 135.00 132.31 2ysx s PRO 107 Ca -0.02 0.36 -0.34 0.00 0.04 0.00 0.00 61.00 61.04 2ysx s PRO 107 Cb -0.13 -4.57 -0.17 0.00 0.04 0.00 0.00 34.50 29.67 2ysx s PRO 107 CO -0.03 -2.91 1.09 0.28 0.04 0.00 0.00 177.00 175.47 2ysx n VAL 108 N 7.39 0.75 -1.14 -0.36 0.31 -1.20 -4.72 118.33 119.36 2ysx n VAL 108 Ca 0.26 -0.19 -0.29 0.00 -0.01 0.00 0.00 64.34 64.11 2ysx n VAL 108 Cb 0.51 -0.57 0.20 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.28 -0.14 0.74 5.55 0.04 -1.25 -3.90 135.00 135.77 2ysx s PRO 109 Ca 0.77 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.05 2ysx s PRO 109 Cb -0.96 -1.69 0.16 0.00 0.04 0.00 0.00 34.50 32.06 2ysx s PRO 109 CO 0.53 -3.07 1.01 1.28 0.04 0.00 0.00 177.00 176.79 2ysx n LEU 110 N -4.38 0.00 -1.31 -3.56 4.77 -1.22 -4.90 117.00 106.40 2ysx n LEU 110 Ca 0.07 -1.53 0.01 0.00 -0.03 0.00 0.00 56.01 54.54 2ysx n LEU 110 Cb 0.58 -0.73 0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2ysx n LEU 110 CO 0.54 -1.13 0.19 -0.62 -1.33 0.00 0.00 177.39 175.04 2ysx n GLU 111 N -3.03 1.29 -2.19 3.23 -0.58 -1.26 -5.06 120.64 113.03 2ysx n GLU 111 Ca 0.14 -2.97 -0.43 0.00 -0.42 0.00 0.00 57.16 53.49 2ysx n GLU 111 Cb 0.50 -1.12 -0.02 0.00 -0.57 0.00 0.00 31.44 30.22 2ysx n GLU 111 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2ysx s GLU 112 N -2.19 4.09 -0.39 3.49 2.12 -1.26 -4.98 118.70 119.57 2ysx s GLU 112 Ca 0.37 1.83 -0.10 0.00 0.36 0.00 0.00 54.97 57.44 2ysx s GLU 112 Cb 0.38 -3.92 0.05 0.00 0.26 0.00 0.00 34.13 30.90 2ysx s GLU 112 CO -0.09 -0.93 0.22 -2.00 -0.54 0.00 0.00 175.26 171.92 2ysx s GLU 113 N 4.02 2.70 -0.81 4.30 2.12 -1.26 -5.04 118.70 124.73 2ysx s GLU 113 Ca 0.66 -1.26 -0.15 0.00 0.36 0.00 0.00 54.97 54.58 2ysx s GLU 113 Cb -0.26 -3.72 0.20 0.00 0.26 0.00 0.00 34.13 30.61 2ysx s GLU 113 CO 0.24 -0.81 0.78 -0.51 -0.54 0.00 0.00 175.26 174.42 2ysx s ASP 114 N 1.78 6.70 0.22 -1.70 1.01 -1.26 -4.91 116.67 118.51 2ysx s ASP 114 Ca 0.02 -2.54 -0.09 0.00 0.71 0.00 0.00 52.55 50.65 2ysx s ASP 114 Cb -0.21 -2.23 0.34 0.00 1.01 0.00 0.00 42.92 41.83 2ysx s ASP 114 CO 0.04 -0.65 1.68 0.71 0.21 0.00 0.00 175.17 177.16 2ysx h THR 115 N 4.98 0.55 0.00 -1.27 1.35 -2.05 -3.47 112.91 113.00 2ysx h THR 115 Ca 0.07 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2ysx h THR 115 Cb 1.04 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2ysx h THR 115 CO 0.81 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 2ysx n GLY 116 N -1.35 4.46 3.19 5.82 0.00 -1.26 -5.16 105.19 110.89 2ysx n GLY 116 Ca 0.10 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 1.31 -0.07 1.61 -1.08 -1.26 -5.16 116.67 112.02 2ysx s ASP 117 Ca 0.00 -0.99 0.01 0.00 -0.52 0.00 0.00 52.55 51.05 2ysx s ASP 117 Cb 0.00 0.06 -0.03 0.00 -1.46 0.00 0.00 42.92 41.50 2ysx s ASP 117 CO 0.00 -0.42 -0.07 -0.62 0.52 0.00 0.00 175.17 174.58 2ysx s ASP 118 N -3.03 4.60 0.00 -0.34 -1.08 -1.26 -5.32 116.67 110.25 2ysx s ASP 118 Ca 0.12 -0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.27 2ysx s ASP 118 Cb 0.04 -1.15 0.94 0.00 -1.46 0.00 0.00 42.92 41.28 2ysx s ASP 118 CO -0.03 0.36 1.35 -0.81 0.52 0.00 0.00 175.17 176.55