#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 -0.20 0.02 1.61 0.01 -1.26 -4.67 113.70 109.21 2ysx s SER 2 Ca 0.00 0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.09 2ysx s SER 2 Cb 0.00 0.33 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 2ysx s SER 2 CO 0.00 -0.48 0.76 -0.55 0.41 0.00 0.00 173.24 173.38 2ysx s SER 3 N -1.43 7.17 0.29 2.44 0.15 -1.26 -5.04 113.70 116.03 2ysx s SER 3 Ca -0.12 1.40 -0.20 0.00 0.70 0.00 0.00 55.95 57.73 2ysx s SER 3 Cb -0.04 -2.46 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2ysx s SER 3 CO 0.03 -0.02 0.80 -0.83 1.20 0.00 0.00 173.24 174.42 2ysx s GLY 4 N 0.17 0.07 0.59 9.45 0.00 -1.26 -5.17 107.32 111.17 2ysx s GLY 4 Ca 0.39 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.55 2ysx s GLY 4 CO 0.22 0.04 1.03 -0.56 0.00 0.00 0.00 173.10 173.82 2ysx s SER 5 N -3.01 6.09 -0.53 1.64 0.01 -1.26 -5.02 113.70 111.62 2ysx s SER 5 Ca 0.14 1.63 -0.13 0.00 1.31 0.00 0.00 55.95 58.89 2ysx s SER 5 Cb -0.05 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 63.80 2ysx s SER 5 CO 0.08 -0.96 0.45 -0.55 0.41 0.00 0.00 173.24 172.67 2ysx s SER 6 N -3.30 6.03 -0.30 2.44 0.15 -1.26 -4.90 113.70 112.57 2ysx s SER 6 Ca 0.59 -1.87 -0.18 0.00 0.70 0.00 0.00 55.95 55.20 2ysx s SER 6 Cb -0.13 -2.14 0.18 0.00 -1.71 0.00 0.00 66.02 62.22 2ysx s SER 6 CO 0.41 -0.79 1.21 -0.83 1.20 0.00 0.00 173.24 174.44 2ysx s GLY 7 N 3.21 -0.03 -1.45 9.45 0.00 -1.26 -4.99 107.32 112.24 2ysx s GLY 7 Ca 0.05 3.22 -0.10 0.00 0.00 0.00 0.00 44.72 47.88 2ysx s GLY 7 CO 0.01 3.79 0.20 1.03 0.00 0.00 0.00 173.10 178.13 2ysx n MET 8 N 5.25 -0.72 -2.49 2.90 0.00 -1.26 -4.86 117.12 115.94 2ysx n MET 8 Ca -0.08 0.08 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 2ysx n MET 8 Cb 0.55 -3.24 -0.04 0.00 0.00 0.00 0.00 33.22 30.48 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 -4.14 3.56 0.70 2.03 -7.23 -1.26 -5.02 120.40 109.03 2ysx s VAL 9 Ca 0.15 1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 61.57 2ysx s VAL 9 Cb -0.08 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 33.06 2ysx s VAL 9 CO 0.99 0.19 1.10 -2.16 -0.31 0.00 0.00 175.10 174.92 2ysx s PRO 10 N -1.95 2.62 -0.23 4.82 0.04 -1.26 -5.00 135.00 134.04 2ysx s PRO 10 Ca 0.51 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2ysx s PRO 10 Cb -0.28 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.17 2ysx s PRO 10 CO 0.35 -1.38 -0.18 0.00 0.04 0.00 0.00 177.00 175.84 2ysx h TRP 12 N 0.00 0.00 -1.40 0.00 5.08 -1.80 -3.30 115.95 114.52 2ysx h TRP 12 Ca -0.53 0.00 -0.65 0.00 1.08 0.00 0.00 58.89 58.80 2ysx h TRP 12 Cb 1.86 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 27.91 2ysx h TRP 12 CO 0.02 0.16 1.50 1.21 -1.28 0.00 0.00 178.44 180.06 2ysx s ASN 13 N -6.55 6.64 0.01 0.11 3.84 -1.26 -2.43 114.94 115.30 2ysx s ASN 13 Ca -0.03 -1.91 -0.12 0.00 0.21 0.00 0.00 52.86 51.01 2ysx s ASN 13 Cb 0.14 -2.52 -0.07 0.00 -0.55 0.00 0.00 41.25 38.25 2ysx s ASN 13 CO 0.64 -1.29 0.93 0.45 -2.79 0.00 0.00 177.10 175.05 2ysx h HIS 14 N 8.92 -0.39 0.00 0.43 3.86 -1.70 -3.47 115.15 122.79 2ysx h HIS 14 Ca 0.25 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2ysx h HIS 14 Cb 0.97 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2ysx h HIS 14 CO 1.27 -0.24 0.00 0.41 0.86 0.00 0.00 177.93 180.23 2ysx n GLY 15 N -0.51 0.48 3.40 2.45 0.00 -1.24 -4.89 105.19 104.89 2ysx n GLY 15 Ca -0.05 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.49 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 6.87 0.23 1.61 2.47 -1.26 -0.06 114.94 120.80 2ysx s ASN 16 Ca 0.00 -2.66 0.11 0.00 0.42 0.00 0.00 52.86 50.73 2ysx s ASN 16 Cb 0.00 -2.32 -0.05 0.00 -1.45 0.00 0.00 41.25 37.43 2ysx s ASN 16 CO 0.00 -0.74 -0.18 0.27 -3.72 0.00 0.00 177.10 172.72 2ysx s ILE 17 N 1.17 2.61 0.28 -5.21 -4.36 -1.26 -4.96 121.20 109.47 2ysx s ILE 17 Ca 0.31 -2.13 -0.08 0.00 -0.26 0.00 0.00 60.65 58.48 2ysx s ILE 17 Cb -0.07 -2.32 -0.06 0.00 1.25 0.00 0.00 42.46 41.26 2ysx s ILE 17 CO -0.07 -0.26 0.60 0.28 0.24 0.00 0.00 174.94 175.73 2ysx s THR 18 N -2.09 4.93 0.11 8.37 -1.32 -1.26 -4.60 115.64 119.78 2ysx s THR 18 Ca 0.26 0.37 -0.21 0.00 -1.21 0.00 0.00 61.69 60.90 2ysx s THR 18 Cb -0.07 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 2ysx s THR 18 CO 0.14 -0.24 1.30 -1.14 -2.21 0.00 0.00 174.62 172.46 2ysx n ARG 19 N -0.63 -0.30 -0.28 7.08 0.63 -1.26 0.30 116.66 122.21 2ysx n ARG 19 Ca 0.00 1.28 0.12 0.00 -0.92 0.00 0.00 57.85 58.32 2ysx n ARG 19 Cb 0.53 -1.88 0.23 0.00 0.45 0.00 0.00 32.46 31.79 2ysx n ARG 19 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ysx n SER 20 N -4.55 -0.11 0.44 6.15 7.64 -1.26 -0.23 113.62 121.71 2ysx n SER 20 Ca 0.01 1.38 -0.17 0.00 1.01 0.00 0.00 58.87 61.10 2ysx n SER 20 Cb 0.18 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 2ysx n SER 20 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2ysx h LYS 21 N 0.00 -1.09 -0.35 1.43 3.64 -0.53 0.23 116.57 119.90 2ysx h LYS 21 Ca 0.49 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.98 2ysx h LYS 21 Cb 0.99 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 2ysx h LYS 21 CO -0.77 -0.72 -0.37 0.00 -2.27 0.00 0.00 179.45 175.31 2ysx h ALA 22 N -1.39 -0.56 0.43 5.00 0.00 -0.05 0.15 119.26 122.84 2ysx h ALA 22 Ca -0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ysx h ALA 22 Cb 0.86 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2ysx h ALA 22 CO 0.19 -0.76 -0.39 0.93 0.00 0.00 0.00 179.25 179.21 2ysx h GLU 23 N -0.21 -0.80 -0.89 0.00 5.08 -1.25 -2.29 114.58 114.22 2ysx h GLU 23 Ca 0.06 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2ysx h GLU 23 Cb 0.37 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 2ysx h GLU 23 CO -0.44 -0.53 -0.37 1.49 -1.00 0.00 0.00 179.01 178.16 2ysx h GLU 24 N -0.83 -0.04 0.27 2.33 4.57 -0.06 0.14 114.58 120.95 2ysx h GLU 24 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2ysx h GLU 24 Cb 0.73 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2ysx h GLU 24 CO -0.04 -0.03 -0.41 -0.07 -1.18 0.00 0.00 179.01 177.28 2ysx h LEU 25 N -0.04 -1.16 -0.60 1.64 3.38 -0.46 0.14 115.31 118.21 2ysx h LEU 25 Ca 0.32 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.52 2ysx h LEU 25 Cb 0.59 0.40 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 2ysx h LEU 25 CO -0.91 -0.49 -0.22 -0.07 0.09 0.00 0.00 178.44 176.84 2ysx h LEU 26 N -0.71 -0.79 0.11 1.67 3.38 -0.67 -1.34 115.31 116.97 2ysx h LEU 26 Ca -0.03 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2ysx h LEU 26 Cb 0.65 0.45 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2ysx h LEU 26 CO -0.12 -0.25 -0.23 -1.28 0.09 0.00 0.00 178.44 176.65 2ysx h SER 27 N -0.07 -0.65 -0.86 -0.43 0.87 -0.46 -2.16 113.55 109.79 2ysx h SER 27 Ca 0.27 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 61.00 2ysx h SER 27 Cb 0.50 0.25 -0.12 0.00 -0.44 0.00 0.00 62.40 62.59 2ysx h SER 27 CO -0.65 -0.32 -0.54 0.03 -0.53 0.00 0.00 176.83 174.82 2ysx h ARG 28 N -0.43 -0.09 -0.42 2.24 3.08 0.41 0.91 114.38 120.09 2ysx h ARG 28 Ca 0.03 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2ysx h ARG 28 Cb 0.45 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 2ysx h ARG 28 CO -0.13 -0.06 0.04 1.15 -1.07 0.00 0.00 179.97 179.90 2ysx h THR 29 N -0.09 0.73 -5.57 2.04 2.02 -1.24 -3.47 112.91 107.32 2ysx h THR 29 Ca 0.17 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 2ysx h THR 29 Cb 0.48 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2ysx h THR 29 CO -0.86 0.03 -0.24 0.61 0.37 0.00 0.00 175.52 175.42 2ysx n GLY 30 N -1.27 -1.23 3.26 2.16 0.00 0.31 -5.04 105.19 103.38 2ysx n GLY 30 Ca 0.03 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 -3.20 1.11 -0.92 1.61 1.02 -1.26 -5.07 119.74 113.04 2ysx s LYS 31 Ca 0.04 -1.39 -0.01 0.00 0.02 0.00 0.00 55.97 54.63 2ysx s LYS 31 Cb -0.01 0.31 0.34 0.00 -0.52 0.00 0.00 37.83 37.95 2ysx s LYS 31 CO 0.78 -0.37 1.92 -0.40 -0.92 0.00 0.00 175.35 176.35 2ysx n ASP 32 N -0.19 7.39 0.00 2.83 5.75 -1.26 -4.27 116.55 126.79 2ysx n ASP 32 Ca -0.04 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 2ysx n ASP 32 Cb 0.64 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 -0.33 0.00 3.88 6.12 0.00 -1.24 -4.96 105.19 108.67 2ysx n GLY 33 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 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 6.24 0.14 1.61 0.01 -1.23 -1.27 113.70 119.20 2ysx s SER 34 Ca 0.00 0.29 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 2ysx s SER 34 Cb 0.00 -1.92 0.04 0.00 0.21 0.00 0.00 66.02 64.35 2ysx s SER 34 CO 0.00 0.24 0.46 0.72 0.41 0.00 0.00 173.24 175.07 2ysx s PHE 35 N -1.34 -0.26 0.32 2.43 -0.71 -1.24 -1.16 117.98 116.01 2ysx s PHE 35 Ca 0.28 -0.03 -0.19 0.00 -1.04 0.00 0.00 56.93 55.95 2ysx s PHE 35 Cb -0.13 0.34 0.03 0.00 -1.21 0.00 0.00 43.02 42.06 2ysx s PHE 35 CO 0.20 -0.76 0.74 -0.48 -1.34 0.00 0.00 175.22 173.58 2ysx s LEU 36 N -2.80 -0.15 -0.07 -1.99 0.05 0.14 -2.06 118.68 111.79 2ysx s LEU 36 Ca 0.03 -0.81 0.00 0.00 0.05 0.00 0.00 54.13 53.40 2ysx s LEU 36 Cb 0.01 2.76 0.02 0.00 -2.05 0.00 0.00 46.19 46.93 2ysx s LEU 36 CO -0.11 -1.47 -0.05 -0.69 -0.55 0.00 0.00 176.35 173.48 2ysx s VAL 37 N -3.33 0.70 0.12 1.48 1.01 -1.02 -0.92 120.40 118.44 2ysx s VAL 37 Ca 0.13 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2ysx s VAL 37 Cb -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2ysx s VAL 37 CO 0.09 0.29 -0.23 0.00 0.00 0.00 0.00 175.10 175.25 2ysx s ARG 38 N 1.41 1.22 -0.48 2.72 1.70 0.52 -3.02 118.95 123.02 2ysx s ARG 38 Ca -0.02 -1.24 -0.27 0.00 -0.47 0.00 0.00 55.73 53.73 2ysx s ARG 38 Cb -0.13 -1.55 -0.05 0.00 -0.57 0.00 0.00 34.95 32.65 2ysx s ARG 38 CO -0.03 0.36 2.15 0.00 -1.08 0.00 0.00 175.30 176.70 2ysx s ALA 39 N -1.19 2.05 0.30 7.88 0.00 0.92 -1.10 121.76 130.62 2ysx s ALA 39 Ca 0.09 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2ysx s ALA 39 Cb -0.10 -4.27 0.81 0.00 0.00 0.00 0.00 23.12 19.57 2ysx s ALA 39 CO 0.05 -3.90 1.46 -1.13 0.00 0.00 0.00 175.76 172.24 2ysx n SER 40 N 13.86 -0.03 -1.36 0.00 3.41 -1.26 -4.79 113.62 123.45 2ysx n SER 40 Ca 0.29 1.58 -0.06 0.00 -0.26 0.00 0.00 58.87 60.42 2ysx n SER 40 Cb 0.52 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 2ysx n SER 40 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ysx n GLU 41 N -5.33 -2.17 0.00 4.33 4.07 -1.26 -4.94 120.64 115.33 2ysx n GLU 41 Ca 0.24 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 2ysx n GLU 41 Cb 0.80 -3.43 0.00 0.00 -0.06 0.00 0.00 31.44 28.76 2ysx n GLU 41 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2ysx n SER 42 N 0.19 1.05 -4.24 4.31 7.64 -1.26 -5.10 113.62 116.21 2ysx n SER 42 Ca -0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2ysx n SER 42 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.80 1.33 0.08 0.44 -1.09 -1.26 -5.06 121.20 113.84 2ysx s ILE 43 Ca 0.00 -1.66 -0.25 0.00 -2.23 0.00 0.00 60.65 56.50 2ysx s ILE 43 Cb 0.00 -1.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.30 2ysx s ILE 43 CO 0.00 -0.38 1.41 0.77 -1.23 0.00 0.00 174.94 175.51 2ysx h SER 44 N 3.63 -1.25 -1.58 3.58 4.64 -2.00 -2.45 113.55 118.12 2ysx h SER 44 Ca -0.40 0.14 -0.68 0.00 -0.47 0.00 0.00 61.79 60.38 2ysx h SER 44 Cb 1.19 0.48 -0.21 0.00 -0.31 0.00 0.00 62.40 63.55 2ysx h SER 44 CO 0.49 -0.38 1.03 0.54 -0.87 0.00 0.00 176.83 177.64 2ysx n ARG 45 N -4.69 3.35 -4.59 4.77 5.12 -1.26 -4.94 116.66 114.41 2ysx n ARG 45 Ca -0.05 -3.28 -0.27 0.00 -1.93 0.00 0.00 57.85 52.32 2ysx n ARG 45 Cb 0.29 -2.31 -0.11 0.00 -1.16 0.00 0.00 32.46 29.17 2ysx n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ysx s ALA 46 N -2.83 3.06 0.28 7.54 0.00 -0.92 -2.99 121.76 125.89 2ysx s ALA 46 Ca 0.53 -2.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 2ysx s ALA 46 Cb 0.34 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.75 2ysx s ALA 46 CO -0.25 -0.13 0.93 0.71 0.00 0.00 0.00 175.76 177.02 2ysx s TYR 47 N -2.78 0.10 -0.12 0.00 2.02 -0.72 -4.49 117.35 111.37 2ysx s TYR 47 Ca 0.35 -0.63 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 2ysx s TYR 47 Cb 0.09 0.77 0.05 0.00 -0.40 0.00 0.00 41.96 42.47 2ysx s TYR 47 CO 0.18 -1.22 0.27 0.00 -1.57 0.00 0.00 175.55 173.21 2ysx s ALA 48 N -2.16 -0.63 -0.36 3.71 0.00 -0.26 -1.42 121.76 120.64 2ysx s ALA 48 Ca 0.19 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 2ysx s ALA 48 Cb -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.37 2ysx s ALA 48 CO 0.08 -0.31 0.14 -1.17 0.00 0.00 0.00 175.76 174.51 2ysx s LEU 49 N 1.54 4.55 0.10 0.00 2.96 -1.10 -0.36 118.68 126.37 2ysx s LEU 49 Ca -0.07 -1.27 -0.11 0.00 -0.22 0.00 0.00 54.13 52.45 2ysx s LEU 49 Cb -0.10 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.63 2ysx s LEU 49 CO -0.09 -0.38 0.45 0.00 -1.32 0.00 0.00 176.35 175.00 2ysx s VAL 51 N -1.42 -0.03 -0.29 0.00 1.01 -1.09 -0.68 120.40 117.91 2ysx s VAL 51 Ca 0.35 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 2ysx s VAL 51 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2ysx s VAL 51 CO 0.18 0.05 0.11 -0.22 0.00 0.00 0.00 175.10 175.22 2ysx s LEU 52 N 0.74 3.83 0.05 3.92 2.96 -0.31 -0.06 118.68 129.80 2ysx s LEU 52 Ca -0.06 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2ysx s LEU 52 Cb -0.07 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2ysx s LEU 52 CO -0.04 -0.14 0.00 0.00 -1.32 0.00 0.00 176.35 174.85 2ysx n TYR 53 N 4.93 -0.18 -3.90 5.38 9.36 -1.24 -3.49 117.16 128.02 2ysx n TYR 53 Ca -0.15 0.03 -0.29 0.00 3.32 0.00 0.00 57.90 60.81 2ysx n TYR 53 Cb 0.49 0.10 -0.13 0.00 -0.63 0.00 0.00 39.34 39.18 2ysx n TYR 53 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2ysx s ARG 54 N -1.34 2.17 -0.86 2.98 0.52 -1.26 -4.69 118.95 116.46 2ysx s ARG 54 Ca 0.00 -2.95 -0.11 0.00 -0.52 0.00 0.00 55.73 52.15 2ysx s ARG 54 Cb 0.00 -3.28 0.11 0.00 0.52 0.00 0.00 34.95 32.29 2ysx s ARG 54 CO 0.00 -1.21 0.27 -1.71 0.02 0.00 0.00 175.30 172.68 2ysx n ASN 55 N 2.54 -1.24 -3.68 0.23 2.85 -1.26 -4.85 115.26 109.85 2ysx n ASN 55 Ca 0.13 -0.37 -0.13 0.00 -0.11 0.00 0.00 54.58 54.11 2ysx n ASN 55 Cb 0.34 -1.14 -0.13 0.00 1.24 0.00 0.00 39.78 40.09 2ysx n ASN 55 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ysx s VAL 57 N 2.01 4.12 -1.13 0.00 1.01 -1.26 -3.61 120.40 121.54 2ysx s VAL 57 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2ysx s VAL 57 Cb -0.11 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.48 2ysx s VAL 57 CO -0.09 -1.56 1.85 -0.31 0.00 0.00 0.00 175.10 175.00 2ysx s TYR 58 N 4.63 2.14 -0.47 5.22 1.51 0.91 -4.77 117.35 126.52 2ysx s TYR 58 Ca 0.28 -0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 56.02 2ysx s TYR 58 Cb -0.13 -4.22 0.02 0.00 -0.11 0.00 0.00 41.96 37.51 2ysx s TYR 58 CO 0.13 -1.51 1.35 0.99 -1.11 0.00 0.00 175.55 175.40 2ysx s THR 59 N 8.92 3.94 0.54 -0.71 2.01 -1.26 -2.66 115.64 126.42 2ysx s THR 59 Ca 0.64 0.92 -0.00 0.00 0.31 0.00 0.00 61.69 63.56 2ysx s THR 59 Cb -0.01 -4.36 0.02 0.00 0.01 0.00 0.00 72.50 68.17 2ysx s THR 59 CO 0.07 -0.93 0.78 -0.31 -0.69 0.00 0.00 174.62 173.54 2ysx s TYR 60 N 5.37 2.99 -0.04 4.92 2.02 0.22 -4.92 117.35 127.91 2ysx s TYR 60 Ca 0.56 0.14 0.05 0.00 -0.37 0.00 0.00 57.07 57.45 2ysx s TYR 60 Cb -0.11 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.77 2ysx s TYR 60 CO 0.31 -0.78 -0.19 -0.98 -1.57 0.00 0.00 175.55 172.34 2ysx s ARG 61 N -4.76 1.84 -0.36 -0.62 1.70 -1.26 -2.73 118.95 112.75 2ysx s ARG 61 Ca 0.55 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 55.16 2ysx s ARG 61 Cb -0.10 -1.64 0.11 0.00 -0.57 0.00 0.00 34.95 32.75 2ysx s ARG 61 CO 0.39 0.32 0.10 0.42 -1.08 0.00 0.00 175.30 175.45 2ysx s ILE 62 N -0.15 2.00 0.11 4.99 1.09 -0.51 -2.09 121.20 126.65 2ysx s ILE 62 Ca -0.00 -2.31 -0.06 0.00 -1.10 0.00 0.00 60.65 57.18 2ysx s ILE 62 Cb -0.11 -2.47 -0.05 0.00 -1.06 0.00 0.00 42.46 38.77 2ysx s ILE 62 CO 0.01 -0.66 0.36 -0.76 -0.10 0.00 0.00 174.94 173.80 2ysx s LEU 63 N 0.84 4.30 -0.33 2.97 2.01 -1.17 -1.75 118.68 125.56 2ysx s LEU 63 Ca 0.12 0.63 -0.29 0.00 0.01 0.00 0.00 54.13 54.60 2ysx s LEU 63 Cb -0.20 -3.14 -0.01 0.00 0.01 0.00 0.00 46.19 42.85 2ysx s LEU 63 CO -0.10 0.11 1.68 -2.16 1.01 0.00 0.00 176.35 176.90 2ysx s PRO 64 N -2.35 3.47 1.20 1.29 0.04 -1.16 -3.88 135.00 133.60 2ysx s PRO 64 Ca 0.37 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 2ysx s PRO 64 Cb -0.13 -4.13 0.29 0.00 0.04 0.00 0.00 34.50 30.57 2ysx s PRO 64 CO 0.22 -1.70 1.02 1.21 0.04 0.00 0.00 177.00 177.79 2ysx s ASN 65 N 5.30 0.75 0.18 6.66 2.47 -0.08 -4.63 114.94 125.60 2ysx s ASN 65 Ca 0.74 1.29 -0.20 0.00 0.42 0.00 0.00 52.86 55.11 2ysx s ASN 65 Cb -0.21 -1.99 0.10 0.00 -1.45 0.00 0.00 41.25 37.71 2ysx s ASN 65 CO 0.33 -4.31 1.37 1.21 -3.72 0.00 0.00 177.10 171.98 2ysx n GLU 66 N -4.97 -0.28 -0.59 0.43 2.13 -1.26 0.19 120.64 116.30 2ysx n GLU 66 Ca 0.05 1.36 -0.07 0.00 0.66 0.00 0.00 57.16 59.15 2ysx n GLU 66 Cb 0.56 -2.01 0.02 0.00 0.27 0.00 0.00 31.44 30.29 2ysx n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ysx n ASP 67 N -5.23 5.24 -4.34 4.31 8.00 -1.26 -4.78 116.55 118.49 2ysx n ASP 67 Ca 0.06 -2.63 -0.39 0.00 0.71 0.00 0.00 54.79 52.55 2ysx n ASP 67 Cb 0.31 -0.98 -0.05 0.00 -0.02 0.00 0.00 41.12 40.38 2ysx n ASP 67 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ysx n ASP 68 N 0.78 -2.81 -4.87 -2.24 8.00 0.51 -4.91 116.55 111.02 2ysx n ASP 68 Ca 0.14 -1.10 -0.33 0.00 0.71 0.00 0.00 54.79 54.21 2ysx n ASP 68 Cb 0.59 -2.35 -0.05 0.00 -0.02 0.00 0.00 41.12 39.28 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ysx s LYS 69 N -7.05 3.81 -0.32 -1.24 -0.14 -1.22 -4.69 119.74 108.89 2ysx s LYS 69 Ca 0.78 0.25 -0.27 0.00 -1.36 0.00 0.00 55.97 55.37 2ysx s LYS 69 Cb -0.44 -2.82 0.01 0.00 -1.68 0.00 0.00 37.83 32.90 2ysx s LYS 69 CO 0.96 0.43 0.97 -0.06 -0.76 0.00 0.00 175.35 176.89 2ysx s PHE 70 N -1.62 3.15 -0.02 3.18 0.08 -0.48 -0.90 117.98 121.38 2ysx s PHE 70 Ca 0.41 1.01 -0.06 0.00 0.12 0.00 0.00 56.93 58.41 2ysx s PHE 70 Cb -0.13 -3.55 0.01 0.00 -0.57 0.00 0.00 43.02 38.78 2ysx s PHE 70 CO 0.20 -0.72 0.13 -0.08 -0.10 0.00 0.00 175.22 174.66 2ysx s THR 71 N 3.42 0.04 -0.21 0.64 -1.32 -1.25 -2.03 115.64 114.94 2ysx s THR 71 Ca 0.40 -0.37 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 2ysx s THR 71 Cb -0.13 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 2ysx s THR 71 CO 0.15 -0.20 0.20 -0.69 -2.21 0.00 0.00 174.62 171.86 2ysx s VAL 72 N -0.68 5.35 -0.76 5.08 1.01 -1.26 -3.02 120.40 126.13 2ysx s VAL 72 Ca -0.08 0.30 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 2ysx s VAL 72 Cb -0.05 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.89 2ysx s VAL 72 CO 0.01 0.38 1.01 -1.10 0.00 0.00 0.00 175.10 175.40 2ysx s GLN 73 N 0.71 3.29 -0.05 2.72 -0.21 -0.89 -4.80 119.66 120.43 2ysx s GLN 73 Ca 0.10 -1.22 -0.08 0.00 0.02 0.00 0.00 55.36 54.18 2ysx s GLN 73 Cb -0.13 -4.50 -0.03 0.00 1.00 0.00 0.00 33.01 29.35 2ysx s GLN 73 CO 0.02 -1.79 -0.16 0.00 -2.12 0.00 0.00 175.29 171.24 2ysx n ALA 74 N 7.19 1.68 -3.40 6.09 0.00 -1.26 -4.65 120.51 126.16 2ysx n ALA 74 Ca 0.06 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 2ysx n ALA 74 Cb 0.47 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 -5.66 -0.45 0.05 0.00 0.01 -1.26 -5.05 113.70 101.33 2ysx s SER 75 Ca -0.14 0.85 -0.17 0.00 1.31 0.00 0.00 55.95 57.80 2ysx s SER 75 Cb 0.02 0.83 -0.19 0.00 0.21 0.00 0.00 66.02 66.89 2ysx s SER 75 CO 0.20 -0.16 1.22 -0.08 0.41 0.00 0.00 173.24 174.84 2ysx h GLU 76 N 5.89 0.57 -0.96 12.44 4.81 -1.98 -3.26 114.58 132.10 2ysx h GLU 76 Ca -0.29 -0.50 0.30 0.00 -0.13 0.00 0.00 59.36 58.74 2ysx h GLU 76 Cb 1.18 0.11 -0.16 0.00 0.63 0.00 0.00 28.75 30.52 2ysx h GLU 76 CO 0.26 1.12 0.38 0.78 -0.73 0.00 0.00 179.01 180.82 2ysx h GLY 77 N 0.19 1.75 -5.63 1.92 0.00 -2.07 -3.37 103.07 95.87 2ysx h GLY 77 Ca -0.05 -0.10 -0.58 0.00 0.00 0.00 0.00 47.33 46.60 2ysx h GLY 77 CO 0.13 -0.51 0.18 0.14 0.00 0.00 0.00 176.54 176.48 2ysx s VAL 78 N -5.78 4.99 0.25 4.60 1.01 -1.23 -5.00 120.40 119.24 2ysx s VAL 78 Ca -0.11 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 2ysx s VAL 78 Cb 0.29 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 2ysx s VAL 78 CO 0.78 0.12 0.19 -1.20 0.00 0.00 0.00 175.10 174.99 2ysx n SER 79 N 4.83 -1.70 -4.64 3.32 7.64 -1.26 -4.85 113.62 116.96 2ysx n SER 79 Ca 0.00 0.71 -0.25 0.00 1.01 0.00 0.00 58.87 60.34 2ysx n SER 79 Cb 0.50 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.76 2.29 0.02 1.43 1.00 -1.26 -5.05 119.30 116.97 2ysx s MET 80 Ca 0.46 -1.26 0.01 0.00 0.00 0.00 0.00 55.69 54.91 2ysx s MET 80 Cb -0.57 -2.24 -0.02 0.00 0.00 0.00 0.00 34.83 32.00 2ysx s MET 80 CO 0.46 0.42 -0.05 1.03 0.00 0.00 0.00 175.02 176.88 2ysx s ARG 81 N -3.20 0.36 -0.24 2.03 0.52 -1.26 -5.14 118.95 112.02 2ysx s ARG 81 Ca 0.28 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2ysx s ARG 81 Cb -0.08 -0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.26 2ysx s ARG 81 CO 0.18 0.02 -0.06 -0.06 0.02 0.00 0.00 175.30 175.40 2ysx s PHE 82 N -0.95 3.02 0.45 -0.53 0.08 -1.26 -4.70 117.98 114.10 2ysx s PHE 82 Ca -0.08 -1.41 0.04 0.00 0.12 0.00 0.00 56.93 55.60 2ysx s PHE 82 Cb -0.07 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2ysx s PHE 82 CO -0.00 -0.69 0.64 -0.06 -0.10 0.00 0.00 175.22 175.00 2ysx s PHE 83 N 1.36 2.95 -0.24 0.36 0.40 -0.86 -4.91 117.98 117.04 2ysx s PHE 83 Ca 0.02 -0.13 -0.07 0.00 -0.60 0.00 0.00 56.93 56.14 2ysx s PHE 83 Cb -0.16 -2.42 -0.12 0.00 0.51 0.00 0.00 43.02 40.83 2ysx s PHE 83 CO -0.05 -0.49 -0.27 2.41 0.70 0.00 0.00 175.22 177.52 2ysx n THR 84 N -2.01 1.32 -3.84 0.64 -1.04 -1.26 -1.38 114.28 106.71 2ysx n THR 84 Ca 0.05 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.05 61.32 2ysx n THR 84 Cb 0.59 -1.65 -0.09 0.00 -1.82 0.00 0.00 70.33 67.36 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 -2.45 4.11 0.32 -2.82 -0.14 -1.26 -4.63 119.74 112.87 2ysx s LYS 85 Ca -0.33 -0.27 0.09 0.00 -1.36 0.00 0.00 55.97 54.11 2ysx s LYS 85 Cb 0.11 -3.34 0.94 0.00 -1.68 0.00 0.00 37.83 33.86 2ysx s LYS 85 CO 0.46 0.29 1.65 1.25 -0.76 0.00 0.00 175.35 178.23 2ysx h LEU 86 N 6.68 0.24 0.58 3.17 7.12 -1.95 -0.11 115.31 131.04 2ysx h LEU 86 Ca -0.39 0.20 -0.03 0.00 0.13 0.00 0.00 57.88 57.79 2ysx h LEU 86 Cb 1.16 0.22 0.01 0.00 -0.53 0.00 0.00 40.66 41.51 2ysx h LEU 86 CO 0.74 -0.18 -0.28 -2.24 -0.13 0.00 0.00 178.44 176.35 2ysx h ASP 87 N 0.24 -0.66 -1.27 1.25 2.03 -2.00 -2.74 116.42 113.26 2ysx h ASP 87 Ca 0.66 -0.02 0.46 0.00 -0.73 0.00 0.00 57.03 57.40 2ysx h ASP 87 Cb 1.47 0.17 -0.14 0.00 -0.83 0.00 0.00 39.33 39.99 2ysx h ASP 87 CO -0.66 -0.40 0.80 0.00 -1.03 0.00 0.00 179.24 177.95 2ysx n GLN 88 N -5.38 -0.04 0.20 4.15 1.13 -0.08 0.03 117.38 117.40 2ysx n GLN 88 Ca -0.12 1.25 -0.12 0.00 -1.94 0.00 0.00 57.00 56.06 2ysx n GLN 88 Cb 0.34 -2.42 -0.07 0.00 0.11 0.00 0.00 30.24 28.20 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 -0.47 -0.43 1.08 6.46 -1.24 -2.34 115.31 118.36 2ysx h LEU 89 Ca 0.86 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.57 2ysx h LEU 89 Cb 2.66 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 42.62 2ysx h LEU 89 CO -0.52 -0.07 -0.48 0.40 -0.62 0.00 0.00 178.44 177.15 2ysx h ILE 90 N -0.97 0.06 -0.93 4.05 1.08 -0.22 0.18 117.51 120.76 2ysx h ILE 90 Ca -0.06 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.55 2ysx h ILE 90 Cb 0.55 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 34.29 2ysx h ILE 90 CO 0.09 0.00 0.59 -0.33 -0.69 0.00 0.00 178.15 177.82 2ysx h GLU 91 N -0.34 0.76 -0.35 2.37 4.39 -1.45 0.32 114.58 120.28 2ysx h GLU 91 Ca 0.12 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 2ysx h GLU 91 Cb 0.59 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2ysx h GLU 91 CO -0.60 0.50 -0.05 0.35 -1.16 0.00 0.00 179.01 178.05 2ysx h PHE 92 N 0.79 0.60 -0.58 4.33 3.04 -0.17 -2.81 116.94 122.13 2ysx h PHE 92 Ca 0.47 -0.08 -0.36 0.00 3.98 0.00 0.00 57.97 61.98 2ysx h PHE 92 Cb 0.66 -0.17 -0.15 0.00 2.56 0.00 0.00 35.95 38.85 2ysx h PHE 92 CO -0.00 0.62 0.42 0.66 -2.02 0.00 0.00 178.31 177.99 2ysx n TYR 93 N -4.23 1.60 -0.01 0.41 4.01 0.10 -3.91 117.16 115.12 2ysx n TYR 93 Ca 0.01 -2.00 0.03 0.00 -0.16 0.00 0.00 57.90 55.78 2ysx n TYR 93 Cb 0.29 -1.05 -0.07 0.00 -0.31 0.00 0.00 39.34 38.20 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 0.40 0.69 -2.33 -0.72 5.02 -1.06 -4.18 118.16 115.99 2ysx n LYS 94 Ca 0.34 -0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 56.14 2ysx n LYS 94 Cb 0.58 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 2ysx n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ysx s LYS 95 N -2.57 4.23 0.35 1.97 2.47 -1.25 -4.35 119.74 120.59 2ysx s LYS 95 Ca -0.04 1.79 0.25 0.00 -1.56 0.00 0.00 55.97 56.41 2ysx s LYS 95 Cb 0.05 -3.79 1.26 0.00 -1.46 0.00 0.00 37.83 33.89 2ysx s LYS 95 CO 0.38 -0.71 1.75 1.05 0.16 0.00 0.00 175.35 177.98 2ysx h GLU 96 N 8.41 0.00 -5.20 4.03 4.11 -1.95 -3.28 114.58 120.69 2ysx h GLU 96 Ca -0.30 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.04 2ysx h GLU 96 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2ysx h GLU 96 CO 0.96 0.00 0.30 1.21 0.07 0.00 0.00 179.01 181.55 2ysx s ASN 97 N -4.24 3.81 -1.00 3.06 3.84 -1.26 -3.32 114.94 115.82 2ysx s ASN 97 Ca -0.01 -1.11 -0.02 0.00 0.21 0.00 0.00 52.86 51.92 2ysx s ASN 97 Cb 0.08 -2.59 -0.03 0.00 -0.55 0.00 0.00 41.25 38.15 2ysx s ASN 97 CO 0.27 -4.36 0.85 0.23 -2.79 0.00 0.00 177.10 171.30 2ysx n MET 98 N 8.22 -4.05 -0.13 0.43 2.81 -1.26 -5.03 117.12 118.10 2ysx n MET 98 Ca 0.42 0.76 0.00 0.00 -1.81 0.00 0.00 57.70 57.07 2ysx n MET 98 Cb 0.47 -5.40 0.00 0.00 -0.71 0.00 0.00 33.22 27.57 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 -1.18 5.13 3.28 3.03 0.00 -1.21 -5.10 105.19 109.14 2ysx n GLY 99 Ca -0.17 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 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 0.00 -2.19 -0.27 0.99 4.77 -1.26 -4.77 117.00 114.27 2ysx n LEU 100 Ca 0.00 -0.19 0.05 0.00 -0.03 0.00 0.00 56.01 55.84 2ysx n LEU 100 Cb 0.00 -0.98 0.11 0.00 -2.33 0.00 0.00 43.42 40.22 2ysx n LEU 100 CO 0.00 -3.17 0.50 0.55 -1.33 0.00 0.00 177.39 173.94 2ysx n VAL 101 N -4.59 -0.32 -3.93 4.08 3.14 -1.26 -4.31 118.33 111.15 2ysx n VAL 101 Ca 0.01 1.72 -0.14 0.00 -2.96 0.00 0.00 64.34 62.97 2ysx n VAL 101 Cb 0.60 -2.38 -0.15 0.00 -1.06 0.00 0.00 33.84 30.85 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 -5.94 0.11 -0.26 1.55 -1.32 -1.26 -5.10 115.64 103.42 2ysx s THR 102 Ca -0.11 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.06 2ysx s THR 102 Cb 0.20 -0.12 -0.06 0.00 -1.51 0.00 0.00 72.50 71.01 2ysx s THR 102 CO 0.59 0.05 2.24 0.00 -2.21 0.00 0.00 174.62 175.29 2ysx n HIS 103 N 3.28 1.87 -1.03 9.09 1.44 -1.26 -4.76 115.22 123.85 2ysx n HIS 103 Ca -0.16 -0.07 -0.41 0.00 -2.01 0.00 0.00 57.72 55.07 2ysx n HIS 103 Cb 0.57 -2.70 -0.10 0.00 0.12 0.00 0.00 29.99 27.88 2ysx n HIS 103 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ysx n LEU 104 N 11.96 0.46 0.00 2.39 4.77 -1.26 -4.82 117.00 130.50 2ysx n LEU 104 Ca 0.32 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2ysx n LEU 104 Cb 0.44 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2ysx n LEU 104 CO 0.68 -0.58 0.00 0.00 -1.33 0.00 0.00 177.39 176.15 2ysx n GLN 105 N 6.03 0.00 -3.97 3.23 6.02 -1.05 -4.93 117.38 122.71 2ysx n GLN 105 Ca 0.45 0.20 -0.34 0.00 -0.01 0.00 0.00 57.00 57.29 2ysx n GLN 105 Cb -0.01 -0.68 -0.15 0.00 1.02 0.00 0.00 30.24 30.42 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 -0.95 2.96 -0.80 1.08 2.02 -0.40 -5.06 117.35 116.20 2ysx s TYR 106 Ca 0.00 -1.32 -0.25 0.00 -0.37 0.00 0.00 57.07 55.12 2ysx s TYR 106 Cb 0.00 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2ysx s TYR 106 CO 0.00 -0.67 1.92 -1.25 -1.57 0.00 0.00 175.55 173.97 2ysx s PRO 107 N 1.38 2.58 -0.88 -1.71 0.04 -1.26 -3.67 135.00 131.48 2ysx s PRO 107 Ca 0.03 0.03 -0.26 0.00 0.04 0.00 0.00 61.00 60.84 2ysx s PRO 107 Cb -0.15 -4.82 -0.20 0.00 0.04 0.00 0.00 34.50 29.37 2ysx s PRO 107 CO -0.06 -3.15 2.34 0.28 0.04 0.00 0.00 177.00 176.46 2ysx n VAL 108 N 7.64 0.00 -2.26 -0.36 0.31 -0.88 -4.56 118.33 118.22 2ysx n VAL 108 Ca 0.33 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.28 2ysx n VAL 108 Cb 0.49 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 7.81 3.42 1.02 5.55 0.04 -1.26 -4.29 135.00 147.29 2ysx s PRO 109 Ca 1.19 1.64 -0.22 0.00 0.04 0.00 0.00 61.00 63.66 2ysx s PRO 109 Cb -1.09 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 2ysx s PRO 109 CO 0.43 -0.80 -0.92 1.28 0.04 0.00 0.00 177.00 177.03 2ysx n LEU 110 N -1.16 -3.53 -4.14 -3.56 4.77 -1.24 -4.88 117.00 103.27 2ysx n LEU 110 Ca 0.11 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 2ysx n LEU 110 Cb 0.50 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2ysx n LEU 110 CO 0.43 -3.72 0.60 1.21 -1.33 0.00 0.00 177.39 174.58 2ysx n GLU 111 N 1.39 3.21 -4.43 3.23 2.13 -1.26 -5.03 120.64 119.88 2ysx n GLU 111 Ca -0.01 -4.50 -0.25 0.00 0.66 0.00 0.00 57.16 53.06 2ysx n GLU 111 Cb 0.66 -2.47 -0.11 0.00 0.27 0.00 0.00 31.44 29.79 2ysx n GLU 111 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ysx s GLU 112 N -1.61 1.56 -0.80 5.31 0.41 -1.26 -5.09 118.70 117.21 2ysx s GLU 112 Ca 0.30 -1.61 -0.17 0.00 -0.41 0.00 0.00 54.97 53.08 2ysx s GLU 112 Cb -0.05 -1.77 0.16 0.00 -1.78 0.00 0.00 34.13 30.69 2ysx s GLU 112 CO -0.07 0.36 0.88 -2.00 -0.49 0.00 0.00 175.26 173.94 2ysx s GLU 113 N -3.01 3.46 -1.19 1.61 2.12 -1.26 -4.97 118.70 115.45 2ysx s GLU 113 Ca 0.24 -1.93 -0.22 0.00 0.36 0.00 0.00 54.97 53.43 2ysx s GLU 113 Cb -0.07 -4.56 -0.04 0.00 0.26 0.00 0.00 34.13 29.73 2ysx s GLU 113 CO 0.11 -1.52 1.86 0.16 -0.54 0.00 0.00 175.26 175.34 2ysx s ASP 114 N 3.06 5.58 -1.44 -1.70 1.47 -1.26 -3.90 116.67 118.49 2ysx s ASP 114 Ca 0.21 -1.81 -0.10 0.00 1.18 0.00 0.00 52.55 52.03 2ysx s ASP 114 Cb -0.12 -2.58 0.04 0.00 -0.34 0.00 0.00 42.92 39.91 2ysx s ASP 114 CO -0.05 -2.48 1.03 0.41 0.68 0.00 0.00 175.17 174.75 2ysx n THR 115 N 7.39 -2.49 -3.94 2.11 -1.04 -1.26 -4.98 114.28 110.07 2ysx n THR 115 Ca 0.45 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 62.12 2ysx n THR 115 Cb 0.47 -3.49 -0.05 0.00 -1.82 0.00 0.00 70.33 65.43 2ysx n THR 115 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2ysx s GLY 116 N -3.21 2.14 -1.32 3.41 0.00 -1.25 -4.45 107.32 102.64 2ysx s GLY 116 Ca 0.57 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 2ysx s GLY 116 CO 0.70 -0.62 0.96 1.22 0.00 0.00 0.00 173.10 175.37 2ysx n ASP 117 N 1.18 -3.33 -4.41 1.64 9.92 -1.26 -4.97 116.55 115.32 2ysx n ASP 117 Ca -0.13 -0.68 -0.38 0.00 -0.53 0.00 0.00 54.79 53.07 2ysx n ASP 117 Cb 0.53 -4.62 -0.12 0.00 -0.64 0.00 0.00 41.12 36.27 2ysx n ASP 117 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2ysx s ASP 118 N -3.93 5.44 0.00 -2.24 1.11 -1.26 -5.24 116.67 110.54 2ysx s ASP 118 Ca 0.25 -0.59 0.16 0.00 0.18 0.00 0.00 52.55 52.56 2ysx s ASP 118 Cb -0.12 -1.97 0.93 0.00 1.07 0.00 0.00 42.92 42.84 2ysx s ASP 118 CO 0.77 -0.20 1.35 -0.81 1.18 0.00 0.00 175.17 177.46