#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xty s ILE 2 N 0.00 5.14 0.05 2.02 -1.09 -1.26 -1.29 121.20 124.77 1xty s ILE 2 Ca 0.00 0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 59.26 1xty s ILE 2 Cb 0.00 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1xty s ILE 2 CO 0.00 0.43 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.59 1xty s LYS 3 N -0.04 0.60 -0.09 2.79 1.02 -0.33 -4.63 119.74 119.07 1xty s LYS 3 Ca 0.24 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1xty s LYS 3 Cb -0.15 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 1xty s LYS 3 CO 0.10 -0.12 -0.11 1.41 -0.92 0.00 0.00 175.35 175.71 1xty s MET 4 N -3.63 3.01 -0.06 1.68 -2.45 -0.89 -1.67 119.30 115.29 1xty s MET 4 Ca 0.04 -0.64 0.06 0.00 -1.25 0.00 0.00 55.69 53.90 1xty s MET 4 Cb 0.06 -2.57 -0.01 0.00 1.25 0.00 0.00 34.83 33.55 1xty s MET 4 CO -0.09 0.44 -0.24 0.08 1.05 0.00 0.00 175.02 176.26 1xty s VAL 5 N -0.22 2.13 -0.15 10.11 1.01 -0.53 -0.88 120.40 131.87 1xty s VAL 5 Ca 0.02 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1xty s VAL 5 Cb -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1xty s VAL 5 CO 0.03 0.57 -0.19 -0.63 0.00 0.00 0.00 175.10 174.88 1xty s ILE 6 N -0.14 1.88 -0.32 2.22 1.09 -0.41 -0.19 121.20 125.34 1xty s ILE 6 Ca -0.04 -0.85 -0.13 0.00 -1.10 0.00 0.00 60.65 58.53 1xty s ILE 6 Cb -0.14 -1.70 -0.03 0.00 -1.06 0.00 0.00 42.46 39.53 1xty s ILE 6 CO 0.04 0.51 0.24 -0.69 -0.10 0.00 0.00 174.94 174.95 1xty s VAL 7 N 1.09 5.28 -0.10 2.92 1.01 0.17 -1.66 120.40 129.11 1xty s VAL 7 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1xty s VAL 7 Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1xty s VAL 7 CO -0.06 0.08 0.07 -0.69 0.00 0.00 0.00 175.10 174.49 1xty s VAL 8 N 1.78 4.88 -0.01 2.92 1.01 -0.14 -0.45 120.40 130.39 1xty s VAL 8 Ca 0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1xty s VAL 8 Cb -0.17 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1xty s VAL 8 CO 0.11 0.60 1.05 -0.13 0.00 0.00 0.00 175.10 176.73 1xty s ARG 9 N -0.99 4.50 0.05 2.72 0.52 -0.76 -1.32 118.95 123.66 1xty s ARG 9 Ca 0.14 1.51 0.23 0.00 -0.52 0.00 0.00 55.73 57.09 1xty s ARG 9 Cb -0.12 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 1xty s ARG 9 CO 0.04 -0.17 0.97 0.43 0.02 0.00 0.00 175.30 176.59 1xty n SER 10 N 4.18 0.59 -0.01 0.23 7.64 0.14 -4.28 113.62 122.12 1xty n SER 10 Ca 0.07 -0.22 0.14 0.00 1.01 0.00 0.00 58.87 59.87 1xty n SER 10 Cb 0.49 0.90 0.62 0.00 -1.01 0.00 0.00 64.21 65.21 1xty n SER 10 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1xty n ASP 11 N -1.99 0.07 -4.85 6.43 3.85 -1.26 -4.81 116.55 114.00 1xty n ASP 11 Ca 0.01 0.23 -0.23 0.00 -0.71 0.00 0.00 54.79 54.10 1xty n ASP 11 Cb 0.45 -0.36 -0.04 0.00 -1.35 0.00 0.00 41.12 39.81 1xty n ASP 11 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 1xty s ILE 12 N -2.88 4.64 -0.34 2.12 -4.36 -1.26 -5.08 121.20 114.05 1xty s ILE 12 Ca 0.18 -1.23 -0.21 0.00 -0.26 0.00 0.00 60.65 59.13 1xty s ILE 12 Cb 0.19 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.43 1xty s ILE 12 CO 0.53 -0.28 0.67 -0.75 0.24 0.00 0.00 174.94 175.35 1xty s LYS 13 N -3.67 3.78 -0.06 0.37 2.20 -1.26 -5.03 119.74 116.07 1xty s LYS 13 Ca 0.33 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 1xty s LYS 13 Cb -0.09 -3.78 0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1xty s LYS 13 CO 0.25 -0.70 0.12 -1.64 -0.36 0.00 0.00 175.35 173.02 1xty s MET 14 N 2.76 0.05 0.90 4.03 -1.94 -1.26 -4.82 119.30 119.02 1xty s MET 14 Ca 0.26 0.35 -0.13 0.00 -1.71 0.00 0.00 55.69 54.47 1xty s MET 14 Cb -0.14 -0.21 0.13 0.00 2.01 0.00 0.00 34.83 36.62 1xty s MET 14 CO 0.14 -0.18 1.16 0.20 -0.01 0.00 0.00 175.02 176.32 1xty s GLY 15 N 1.29 1.59 0.39 -0.03 0.00 -1.26 -4.74 107.32 104.57 1xty s GLY 15 Ca -0.08 -0.61 0.07 0.00 0.00 0.00 0.00 44.72 44.10 1xty s GLY 15 CO -0.05 -0.04 2.01 0.07 0.00 0.00 0.00 173.10 175.08 1xty h LYS 16 N -1.44 0.50 -0.52 2.90 2.10 -2.01 0.23 116.57 118.33 1xty h LYS 16 Ca -0.49 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.03 1xty h LYS 16 Cb 1.32 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1xty h LYS 16 CO 0.61 0.39 0.03 0.78 -2.00 0.00 0.00 179.45 179.26 1xty h GLY 17 N 0.62 0.97 0.84 0.07 0.00 -2.00 -1.43 103.07 102.14 1xty h GLY 17 Ca 0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1xty h GLY 17 CO -0.02 0.64 0.03 1.70 0.00 0.00 0.00 176.54 178.89 1xty h LYS 18 N 0.77 0.15 -0.61 4.80 1.63 -1.70 -2.46 116.57 119.15 1xty h LYS 18 Ca 0.15 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 1xty h LYS 18 Cb 0.49 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.04 1xty h LYS 18 CO 0.02 0.30 0.33 0.82 -3.45 0.00 0.00 179.45 177.47 1xty h ILE 19 N -0.02 0.97 -0.82 2.00 2.04 -0.88 -1.58 117.51 119.23 1xty h ILE 19 Ca 0.03 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xty h ILE 19 Cb 0.21 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1xty h ILE 19 CO -0.00 0.11 0.55 0.00 0.00 0.00 0.00 178.15 178.81 1xty h ALA 20 N 1.32 1.04 -0.45 1.87 0.00 -1.14 -0.87 119.26 121.03 1xty h ALA 20 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xty h ALA 20 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xty h ALA 20 CO -0.17 0.45 0.10 0.00 0.00 0.00 0.00 179.25 179.64 1xty h ALA 21 N 1.30 0.60 -0.49 0.00 0.00 -0.93 -1.32 119.26 118.42 1xty h ALA 21 Ca 0.30 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xty h ALA 21 Cb -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1xty h ALA 21 CO -0.07 0.29 0.16 1.96 0.00 0.00 0.00 179.25 181.59 1xty h GLN 22 N 0.60 0.76 -0.62 0.00 1.08 -0.93 -0.38 115.11 115.62 1xty h GLN 22 Ca 0.14 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1xty h GLN 22 Cb 0.33 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1xty h GLN 22 CO 0.00 0.71 0.04 0.28 -0.95 0.00 0.00 178.83 178.91 1xty h VAL 23 N 0.66 1.26 -0.28 -0.54 2.07 -1.11 -0.78 116.25 117.54 1xty h VAL 23 Ca 0.16 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1xty h VAL 23 Cb 0.26 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1xty h VAL 23 CO -0.01 0.40 -0.13 0.00 0.02 0.00 0.00 177.57 177.85 1xty h ALA 24 N 1.06 1.25 -0.34 1.67 0.00 -1.03 -1.20 119.26 120.67 1xty h ALA 24 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xty h ALA 24 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xty h ALA 24 CO 0.02 0.49 0.04 1.25 0.00 0.00 0.00 179.25 181.06 1xty h HIS 25 N 0.45 0.61 -0.54 0.00 6.17 -0.52 -1.38 115.15 119.93 1xty h HIS 25 Ca 0.08 -0.09 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 1xty h HIS 25 Cb 0.50 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.24 1xty h HIS 25 CO 0.02 0.64 0.32 0.00 0.71 0.00 0.00 177.93 179.62 1xty h ALA 26 N 0.89 0.69 -0.30 5.26 0.00 -0.71 -1.74 119.26 123.34 1xty h ALA 26 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xty h ALA 26 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xty h ALA 26 CO 0.01 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.45 1xty h ALA 27 N 1.15 0.40 -0.44 0.00 0.00 -1.09 -2.37 119.26 116.91 1xty h ALA 27 Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xty h ALA 27 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xty h ALA 27 CO -0.04 0.13 0.04 0.28 0.00 0.00 0.00 179.25 179.67 1xty h VAL 28 N 0.31 1.25 -0.91 0.00 2.07 -1.19 -1.97 116.25 115.81 1xty h VAL 28 Ca 0.09 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1xty h VAL 28 Cb 0.41 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1xty h VAL 28 CO 0.01 0.33 0.60 0.74 0.02 0.00 0.00 177.57 179.27 1xty h THR 29 N 0.60 1.21 0.38 2.57 2.02 -1.31 -0.43 112.91 117.95 1xty h THR 29 Ca 0.13 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1xty h THR 29 Cb 0.43 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1xty h THR 29 CO 0.01 0.22 -0.18 -0.07 0.37 0.00 0.00 175.52 175.87 1xty h LEU 30 N 1.21 -0.44 -0.41 2.58 3.38 -1.21 -0.97 115.31 119.46 1xty h LEU 30 Ca 0.34 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1xty h LEU 30 Cb -0.11 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1xty h LEU 30 CO -0.08 -0.24 0.15 0.58 0.09 0.00 0.00 178.44 178.93 1xty h VAL 31 N -0.61 0.88 -0.48 1.22 2.07 -1.12 -1.30 116.25 116.91 1xty h VAL 31 Ca -0.05 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1xty h VAL 31 Cb 0.45 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1xty h VAL 31 CO 0.09 0.06 -0.06 0.58 0.02 0.00 0.00 177.57 178.26 1xty h VAL 32 N 0.31 1.26 -0.31 2.57 2.07 -1.06 -1.49 116.25 119.59 1xty h VAL 32 Ca 0.19 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 1xty h VAL 32 Cb 0.17 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1xty h VAL 32 CO -0.19 0.39 -0.11 0.77 0.02 0.00 0.00 177.57 178.46 1xty h SER 33 N 0.77 0.49 -0.10 0.57 4.64 -0.70 -1.15 113.55 118.08 1xty h SER 33 Ca 0.14 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1xty h SER 33 Cb 0.55 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1xty h SER 33 CO 0.03 0.64 -0.25 0.40 -0.87 0.00 0.00 176.83 176.78 1xty h ILE 34 N 0.48 1.40 -0.73 0.95 2.04 -0.97 -2.40 117.51 118.28 1xty h ILE 34 Ca 0.09 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1xty h ILE 34 Cb 0.47 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 1xty h ILE 34 CO 0.03 0.45 0.43 0.40 0.00 0.00 0.00 178.15 179.46 1xty h ILE 35 N -0.11 1.21 -0.00 -0.67 2.04 -1.12 -1.75 117.51 117.11 1xty h ILE 35 Ca -0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1xty h ILE 35 Cb 0.85 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1xty h ILE 35 CO 0.05 0.22 -0.04 0.59 0.00 0.00 0.00 178.15 178.97 1xty n ASN 36 N -4.38 0.25 -4.26 1.72 3.02 -0.45 -4.87 115.26 106.29 1xty n ASN 36 Ca 0.08 -0.55 -0.25 0.00 -0.03 0.00 0.00 54.58 53.83 1xty n ASN 36 Cb 0.07 -0.13 0.15 0.00 -0.61 0.00 0.00 39.78 39.26 1xty n ASN 36 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xty n SER 37 N -1.03 0.87 -0.14 6.41 3.41 -0.66 -5.01 113.62 117.48 1xty n SER 37 Ca 0.16 -1.88 0.09 0.00 -0.26 0.00 0.00 58.87 56.98 1xty n SER 37 Cb 0.23 -0.76 0.12 0.00 -0.26 0.00 0.00 64.21 63.54 1xty n SER 37 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xty n ASN 38 N -3.25 2.00 -4.50 4.04 0.23 -1.26 -4.98 115.26 107.54 1xty n ASN 38 Ca 0.16 -2.93 -0.43 0.00 -0.53 0.00 0.00 54.58 50.86 1xty n ASN 38 Cb 0.57 -0.40 -0.04 0.00 -2.08 0.00 0.00 39.78 37.84 1xty n ASN 38 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1xty s ASN 39 N -2.60 6.26 0.23 0.53 3.04 -1.26 -4.91 114.94 116.23 1xty s ASN 39 Ca 0.27 -0.60 -0.08 0.00 0.04 0.00 0.00 52.86 52.50 1xty s ASN 39 Cb 0.24 -2.45 0.22 0.00 -1.54 0.00 0.00 41.25 37.73 1xty s ASN 39 CO 0.03 -1.38 1.91 -0.07 -3.04 0.00 0.00 177.10 174.54 1xty h LEU 40 N 11.37 1.04 -0.23 3.21 3.38 -1.97 -2.11 115.31 130.00 1xty h LEU 40 Ca -0.27 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xty h LEU 40 Cb 1.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xty h LEU 40 CO 1.15 0.75 0.14 -0.09 0.09 0.00 0.00 178.44 180.47 1xty h ARG 41 N 1.22 0.30 -0.77 1.13 9.65 -2.00 -1.20 114.38 122.72 1xty h ARG 41 Ca 0.33 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.21 1xty h ARG 41 Cb -0.13 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.34 1xty h ARG 41 CO -0.08 0.24 0.50 -1.49 2.80 0.00 0.00 179.97 181.94 1xty h TRP 42 N 0.28 0.94 -0.36 2.20 4.06 -1.89 -1.49 115.95 119.69 1xty h TRP 42 Ca 0.08 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 1xty h TRP 42 Cb 0.01 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.84 1xty h TRP 42 CO -0.05 0.56 -0.07 0.87 -3.56 0.00 0.00 178.44 176.19 1xty h LYS 43 N 0.99 0.60 -0.25 0.49 1.57 -1.10 -0.20 116.57 118.68 1xty h LYS 43 Ca 0.30 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1xty h LYS 43 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1xty h LYS 43 CO -0.09 0.67 -0.01 0.93 -0.57 0.00 0.00 179.45 180.38 1xty h GLU 44 N 0.56 0.44 -0.78 3.15 5.08 -0.66 -1.50 114.58 120.86 1xty h GLU 44 Ca 0.11 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xty h GLU 44 Cb 0.46 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1xty h GLU 44 CO 0.02 0.62 0.39 -1.49 -1.00 0.00 0.00 179.01 177.55 1xty h TRP 45 N 0.21 1.10 -0.27 4.33 6.55 -0.96 -2.03 115.95 124.88 1xty h TRP 45 Ca 0.07 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 1xty h TRP 45 Cb 0.43 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.37 1xty h TRP 45 CO 0.04 0.79 0.10 1.25 -1.05 0.00 0.00 178.44 179.57 1xty h LEU 46 N 1.11 0.38 -0.61 -4.49 5.85 -0.83 -0.41 115.31 116.30 1xty h LEU 46 Ca 0.27 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xty h LEU 46 Cb 0.09 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1xty h LEU 46 CO -0.04 0.45 0.40 0.78 -0.34 0.00 0.00 178.44 179.69 1xty h ASN 47 N 0.29 0.67 -0.64 1.25 2.35 -1.03 -1.45 115.58 117.01 1xty h ASN 47 Ca 0.09 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1xty h ASN 47 Cb 0.19 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1xty h ASN 47 CO -0.01 0.48 0.14 -0.33 -1.65 0.00 0.00 177.43 176.06 1xty h GLU 48 N 0.80 1.04 -0.59 0.81 5.08 -1.24 -2.01 114.58 118.48 1xty h GLU 48 Ca 0.23 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1xty h GLU 48 Cb -0.05 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1xty h GLU 48 CO -0.07 0.95 0.36 2.35 -1.00 0.00 0.00 179.01 181.61 1xty h TRP 49 N 0.96 0.68 -0.64 4.33 7.01 -0.61 -0.19 115.95 127.49 1xty h TRP 49 Ca 0.20 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.16 1xty h TRP 49 Cb 0.39 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1xty h TRP 49 CO 0.03 0.40 0.18 -0.07 -2.79 0.00 0.00 178.44 176.19 1xty h LEU 50 N 0.73 0.95 -1.80 0.65 3.38 -1.08 -0.03 115.31 118.11 1xty h LEU 50 Ca 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xty h LEU 50 Cb -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1xty h LEU 50 CO -0.09 0.92 -0.13 0.45 0.09 0.00 0.00 178.44 179.68 1xty h HIS 51 N 0.94 0.00 -0.23 1.13 3.86 -0.68 -2.43 115.15 117.74 1xty h HIS 51 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1xty h HIS 51 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1xty h HIS 51 CO 0.02 0.13 0.00 1.04 0.86 0.00 0.00 177.93 179.99 1xty n GLN 52 N -3.58 1.86 -0.46 2.45 6.02 -0.15 -4.92 117.38 118.60 1xty n GLN 52 Ca -0.01 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 1xty n GLN 52 Cb 0.27 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1xty n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xty n GLY 53 N 1.18 0.72 3.78 1.08 0.00 -0.91 -4.43 105.19 106.60 1xty n GLY 53 Ca 0.16 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1xty n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xty n GLN 54 N -2.46 -5.13 -1.65 1.61 6.02 -0.08 -4.88 117.38 110.80 1xty n GLN 54 Ca 0.00 0.61 -0.47 0.00 -0.01 0.00 0.00 57.00 57.13 1xty n GLN 54 Cb 0.00 -5.28 -0.04 0.00 1.02 0.00 0.00 30.24 25.94 1xty n GLN 54 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1xty n PRO 55 N -4.43 1.94 -4.28 -1.09 -0.02 -1.26 -4.91 135.00 120.94 1xty n PRO 55 Ca -0.18 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 61.80 1xty n PRO 55 Cb 0.62 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 1xty n PRO 55 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xty s LYS 56 N 0.67 0.90 -0.16 -0.52 1.02 -1.26 -2.09 119.74 118.31 1xty s LYS 56 Ca 0.79 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1xty s LYS 56 Cb -0.73 -0.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.68 1xty s LYS 56 CO 0.41 0.22 -0.13 0.42 -0.92 0.00 0.00 175.35 175.35 1xty s ILE 57 N -1.04 1.56 -0.40 2.17 1.01 -0.06 -4.96 121.20 119.49 1xty s ILE 57 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1xty s ILE 57 Cb -0.09 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1xty s ILE 57 CO 0.02 0.38 0.22 -0.63 0.00 0.00 0.00 174.94 174.94 1xty s ILE 58 N 1.48 4.29 0.47 2.92 1.01 -1.26 -1.28 121.20 128.83 1xty s ILE 58 Ca 0.04 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.55 1xty s ILE 58 Cb -0.14 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1xty s ILE 58 CO -0.10 -0.38 0.23 0.68 0.00 0.00 0.00 174.94 175.37 1xty s VAL 59 N 1.47 1.93 0.14 2.92 -7.23 -0.67 -0.82 120.40 118.14 1xty s VAL 59 Ca 0.02 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1xty s VAL 59 Cb -0.21 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1xty s VAL 59 CO 0.04 0.00 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.19 1xty s LYS 60 N -4.03 0.99 0.03 4.82 -2.85 -0.26 -0.97 119.74 117.46 1xty s LYS 60 Ca 0.33 -1.44 -0.04 0.00 -1.00 0.00 0.00 55.97 53.83 1xty s LYS 60 Cb 0.01 -0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 35.44 1xty s LYS 60 CO 0.19 -0.04 0.06 0.14 0.10 0.00 0.00 175.35 175.81 1xty s VAL 61 N -3.57 0.12 -0.26 1.79 -7.23 -0.44 -4.28 120.40 106.55 1xty s VAL 61 Ca 0.17 -1.00 0.13 0.00 -1.81 0.00 0.00 61.98 59.47 1xty s VAL 61 Cb 0.05 -0.65 0.69 0.00 0.56 0.00 0.00 36.38 37.02 1xty s VAL 61 CO -0.00 -0.55 1.65 -0.46 -0.31 0.00 0.00 175.10 175.43 1xty n ASN 62 N 1.11 4.61 -3.55 4.85 0.23 -1.26 0.26 115.26 121.51 1xty n ASN 62 Ca -0.21 -3.14 -0.17 0.00 -0.53 0.00 0.00 54.58 50.53 1xty n ASN 62 Cb 0.57 -0.66 -0.06 0.00 -2.08 0.00 0.00 39.78 37.54 1xty n ASN 62 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1xty s SER 63 N -1.37 -0.62 0.25 0.53 1.04 -1.26 -4.39 113.70 107.88 1xty s SER 63 Ca 0.50 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.59 1xty s SER 63 Cb 0.40 0.56 0.31 0.00 0.10 0.00 0.00 66.02 67.39 1xty s SER 63 CO 0.12 -0.58 1.80 0.25 0.98 0.00 0.00 173.24 175.81 1xty h LEU 64 N 3.17 0.89 -1.52 2.42 5.85 -1.96 -2.75 115.31 121.41 1xty h LEU 64 Ca -0.27 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1xty h LEU 64 Cb 1.14 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1xty h LEU 64 CO 0.38 0.85 0.34 0.44 -0.34 0.00 0.00 178.44 180.11 1xty h ASP 65 N 0.91 0.56 0.71 1.25 3.32 -1.99 -0.95 116.42 120.23 1xty h ASP 65 Ca 0.20 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1xty h ASP 65 Cb 0.30 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xty h ASP 65 CO -0.00 0.39 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.33 1xty h GLU 66 N 0.65 0.00 0.11 3.56 5.08 -1.91 -0.58 114.58 121.50 1xty h GLU 66 Ca 0.20 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.31 1xty h GLU 66 Cb -0.01 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xty h GLU 66 CO -0.05 0.26 -1.03 0.82 -1.00 0.00 0.00 179.01 178.01 1xty h ILE 67 N 0.00 1.37 -0.75 3.13 2.04 -1.19 -2.92 117.51 119.18 1xty h ILE 67 Ca -0.00 -2.42 -0.05 0.00 1.00 0.00 0.00 64.86 63.39 1xty h ILE 67 Cb 0.68 2.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.56 1xty h ILE 67 CO 0.03 0.72 0.28 0.40 0.00 0.00 0.00 178.15 179.58 1xty h ILE 68 N 0.03 1.26 -0.57 -0.67 1.08 -1.11 -0.57 117.51 116.96 1xty h ILE 68 Ca -0.16 -0.84 0.04 0.00 -0.39 0.00 0.00 64.86 63.51 1xty h ILE 68 Cb 1.75 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 1xty h ILE 68 CO 0.20 0.34 0.31 -1.28 -0.69 0.00 0.00 178.15 177.02 1xty h SER 69 N 1.10 0.47 0.97 1.72 0.87 -1.16 -1.37 113.55 116.14 1xty h SER 69 Ca 0.25 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.70 1xty h SER 69 Cb 0.24 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1xty h SER 69 CO -0.02 0.32 -0.63 0.03 -0.53 0.00 0.00 176.83 176.01 1xty h ARG 70 N 0.60 0.00 -0.33 2.24 3.08 -1.26 -2.65 114.38 116.06 1xty h ARG 70 Ca 0.24 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 1xty h ARG 70 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xty h ARG 70 CO -0.15 0.63 -0.35 0.00 -1.07 0.00 0.00 179.97 179.03 1xty h ALA 71 N 1.37 0.76 -0.54 0.04 0.00 -0.71 -1.23 119.26 118.95 1xty h ALA 71 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1xty h ALA 71 Cb 1.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1xty h ALA 71 CO 0.08 0.66 0.00 -0.22 0.00 0.00 0.00 179.25 179.77 1xty h LYS 72 N 0.63 0.92 -0.12 0.00 3.11 -1.17 -0.29 116.57 119.64 1xty h LYS 72 Ca 0.06 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 1xty h LYS 72 Cb 0.89 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1xty h LYS 72 CO 0.08 0.91 0.05 -0.22 -2.81 0.00 0.00 179.45 177.46 1xty h LYS 73 N 0.85 0.19 -0.57 1.90 3.64 -1.21 -0.73 116.57 120.64 1xty h LYS 73 Ca 0.16 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1xty h LYS 73 Cb 0.50 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1xty h LYS 73 CO 0.02 0.29 0.37 0.00 -2.27 0.00 0.00 179.45 177.86 1xty h ALA 74 N 0.89 0.73 -0.28 5.00 0.00 -0.97 -2.27 119.26 122.36 1xty h ALA 74 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xty h ALA 74 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xty h ALA 74 CO -0.00 0.13 0.14 1.49 0.00 0.00 0.00 179.25 181.01 1xty h GLU 75 N 0.74 0.40 -0.46 0.00 4.22 -0.86 -0.90 114.58 117.73 1xty h GLU 75 Ca 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1xty h GLU 75 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1xty h GLU 75 CO -0.07 0.36 0.24 1.15 -2.18 0.00 0.00 179.01 178.52 1xty h THR 76 N 0.33 1.15 -0.35 0.32 2.02 -0.96 -1.23 112.91 114.18 1xty h THR 76 Ca 0.10 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1xty h THR 76 Cb 0.09 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1xty h THR 76 CO -0.01 0.16 0.00 0.23 0.37 0.00 0.00 175.52 176.27 1xty n MET 77 N -4.41 1.83 -3.76 6.66 2.81 -0.87 -4.93 117.12 114.44 1xty n MET 77 Ca 0.04 -1.27 -0.24 0.00 -1.81 0.00 0.00 57.70 54.41 1xty n MET 77 Cb 0.10 -1.28 0.03 0.00 -0.71 0.00 0.00 33.22 31.36 1xty n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xty n ASN 78 N 0.53 -2.42 -4.78 7.83 3.02 -0.47 -5.00 115.26 113.98 1xty n ASN 78 Ca 0.12 -0.80 -0.27 0.00 -0.03 0.00 0.00 54.58 53.60 1xty n ASN 78 Cb 0.30 -4.03 -0.06 0.00 -0.61 0.00 0.00 39.78 35.38 1xty n ASN 78 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xty s LEU 79 N -6.88 3.75 0.31 3.41 1.43 -0.39 -5.04 118.68 115.27 1xty s LEU 79 Ca 0.22 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1xty s LEU 79 Cb -0.11 -2.38 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 1xty s LEU 79 CO 0.82 0.10 1.23 -2.84 0.23 0.00 0.00 176.35 175.88 1xty s PRO 80 N -2.92 4.47 0.05 1.29 0.02 -1.26 -4.53 135.00 132.11 1xty s PRO 80 Ca 0.30 2.06 -0.14 0.00 0.02 0.00 0.00 61.00 63.23 1xty s PRO 80 Cb -0.10 -3.12 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1xty s PRO 80 CO 0.22 -0.04 0.32 -0.59 -0.33 0.00 0.00 177.00 176.59 1xty s PHE 81 N -1.11 -0.12 -0.02 6.54 -0.12 -1.26 -0.96 117.98 120.92 1xty s PHE 81 Ca 0.47 -0.02 -0.00 0.00 -0.05 0.00 0.00 56.93 57.33 1xty s PHE 81 Cb -0.37 0.12 0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1xty s PHE 81 CO 0.48 -0.53 0.04 -1.54 -0.05 0.00 0.00 175.22 173.62 1xty s SER 82 N -2.12 0.09 -0.31 1.98 1.04 -0.30 -4.93 113.70 109.15 1xty s SER 82 Ca -0.04 0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.36 1xty s SER 82 Cb -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1xty s SER 82 CO -0.04 -0.14 0.13 -0.63 0.98 0.00 0.00 173.24 173.55 1xty s ILE 83 N 1.12 4.38 -0.14 -1.02 1.01 -1.26 -0.82 121.20 124.46 1xty s ILE 83 Ca -0.09 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1xty s ILE 83 Cb -0.13 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 1xty s ILE 83 CO -0.03 0.04 0.29 -0.63 0.00 0.00 0.00 174.94 174.60 1xty s ILE 84 N 1.57 5.30 0.08 2.92 -1.09 -0.64 -5.04 121.20 124.30 1xty s ILE 84 Ca 0.04 0.54 0.09 0.00 -2.23 0.00 0.00 60.65 59.08 1xty s ILE 84 Cb -0.17 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1xty s ILE 84 CO 0.05 0.43 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.36 1xty s GLU 85 N 0.19 1.82 0.52 2.79 2.02 -1.26 -0.85 118.70 123.93 1xty s GLU 85 Ca 0.17 -1.13 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 1xty s GLU 85 Cb -0.13 -2.07 -0.06 0.00 0.10 0.00 0.00 34.13 31.96 1xty s GLU 85 CO 0.05 0.50 1.21 0.34 0.02 0.00 0.00 175.26 177.37 1xty s ASP 86 N -1.70 5.73 0.00 -0.19 -1.08 0.49 -4.79 116.67 115.12 1xty s ASP 86 Ca 0.15 2.39 0.24 0.00 -0.52 0.00 0.00 52.55 54.81 1xty s ASP 86 Cb -0.10 -2.60 1.04 0.00 -1.46 0.00 0.00 42.92 39.79 1xty s ASP 86 CO 0.06 -1.22 1.71 0.00 0.52 0.00 0.00 175.17 176.24 1xty n ALA 87 N -0.94 2.57 -2.93 3.66 0.00 -1.26 -1.29 120.51 120.33 1xty n ALA 87 Ca 0.10 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1xty n ALA 87 Cb 0.48 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1xty n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xty n GLY 88 N 1.06 -0.49 0.13 0.00 0.00 -1.26 -4.71 105.19 99.92 1xty n GLY 88 Ca 0.17 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.36 1xty n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xty h LYS 89 N -1.21 0.00 0.00 1.61 1.79 -1.92 -3.43 116.57 113.41 1xty h LYS 89 Ca -0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1xty h LYS 89 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1xty h LYS 89 CO 0.56 0.17 0.00 -2.37 -1.08 0.00 0.00 179.45 176.73 1xty n THR 90 N -2.91 0.00 -0.02 -0.16 5.66 -1.26 -5.04 114.28 110.55 1xty n THR 90 Ca -0.02 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1xty n THR 90 Cb 0.66 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1xty n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xty n GLN 91 N 0.00 -0.02 -1.50 1.09 6.02 -1.26 -4.58 117.38 117.13 1xty n GLN 91 Ca 0.00 0.38 -0.43 0.00 -0.01 0.00 0.00 57.00 56.94 1xty n GLN 91 Cb 0.00 -0.57 -0.00 0.00 1.02 0.00 0.00 30.24 30.69 1xty n GLN 91 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xty n LEU 92 N -2.58 0.63 -4.76 1.08 4.77 -1.26 -4.94 117.00 109.93 1xty n LEU 92 Ca 0.00 1.01 -0.39 0.00 -0.03 0.00 0.00 56.01 56.60 1xty n LEU 92 Cb 0.01 -1.17 -0.05 0.00 -2.33 0.00 0.00 43.42 39.88 1xty n LEU 92 CO -0.01 -2.36 0.70 -1.61 -1.33 0.00 0.00 177.39 172.78 1xty s GLU 93 N -1.57 4.65 0.38 3.23 0.41 -1.26 -4.35 118.70 120.19 1xty s GLU 93 Ca 0.62 1.54 -0.28 0.00 -0.41 0.00 0.00 54.97 56.44 1xty s GLU 93 Cb -0.66 -3.05 -0.11 0.00 -1.78 0.00 0.00 34.13 28.54 1xty s GLU 93 CO 0.58 0.30 1.45 -1.25 -0.49 0.00 0.00 175.26 175.85 1xty s PRO 94 N -1.63 4.11 0.00 0.39 0.04 -1.26 -2.39 135.00 134.26 1xty s PRO 94 Ca 0.46 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.00 1xty s PRO 94 Cb -0.25 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1xty s PRO 94 CO 0.32 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1xty n GLY 95 N 0.52 1.16 3.68 0.56 0.00 -0.41 -4.89 105.19 105.80 1xty n GLY 95 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xty n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xty s THR 96 N -2.31 3.49 -0.03 2.61 2.01 -1.00 -4.64 115.64 115.76 1xty s THR 96 Ca 0.00 0.77 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 1xty s THR 96 Cb 0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1xty s THR 96 CO 0.00 -0.03 1.39 -0.63 -0.69 0.00 0.00 174.62 174.65 1xty s ILE 97 N 3.21 3.82 -0.14 1.82 1.01 -1.26 -0.38 121.20 129.28 1xty s ILE 97 Ca 0.70 1.16 0.11 0.00 0.00 0.00 0.00 60.65 62.63 1xty s ILE 97 Cb -0.34 -3.75 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 1xty s ILE 97 CO 0.29 -0.02 0.02 0.35 0.00 0.00 0.00 174.94 175.58 1xty n THR 98 N 4.82 0.98 -3.77 2.92 -2.24 -0.03 -4.93 114.28 112.04 1xty n THR 98 Ca 0.13 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1xty n THR 98 Cb 0.44 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1xty n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xty s LEU 100 N -2.91 1.45 -0.02 0.00 2.96 0.41 -1.61 118.68 118.95 1xty s LEU 100 Ca 0.11 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1xty s LEU 100 Cb -0.03 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 1xty s LEU 100 CO 0.03 -0.03 0.09 -0.83 -1.32 0.00 0.00 176.35 174.29 1xty s GLY 101 N 0.99 2.03 -0.02 7.98 0.00 -0.00 0.45 107.32 118.74 1xty s GLY 101 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1xty s GLY 101 CO -0.00 -0.70 -0.01 -0.42 0.00 0.00 0.00 173.10 171.97 1xty s ILE 102 N -1.17 0.22 0.00 0.90 1.01 0.73 -1.15 121.20 121.74 1xty s ILE 102 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1xty s ILE 102 Cb -0.12 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.08 1xty s ILE 102 CO 0.13 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1xty n GLY 103 N 3.81 -1.67 3.75 6.18 0.00 -0.13 -1.46 105.19 115.68 1xty n GLY 103 Ca -0.23 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1xty n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xty s PRO 104 N 0.00 2.83 0.11 1.61 0.04 -1.26 -4.65 135.00 133.68 1xty s PRO 104 Ca 0.00 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 1xty s PRO 104 Cb 0.00 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1xty s PRO 104 CO 0.00 -1.29 0.96 0.00 0.04 0.00 0.00 177.00 176.71 1xty s ALA 105 N -1.83 -1.72 -0.00 8.56 0.00 -0.67 -4.68 121.76 121.41 1xty s ALA 105 Ca 0.74 0.35 -0.38 0.00 0.00 0.00 0.00 51.96 52.67 1xty s ALA 105 Cb -0.27 0.58 -0.17 0.00 0.00 0.00 0.00 23.12 23.25 1xty s ALA 105 CO 0.36 -0.97 1.41 -2.30 0.00 0.00 0.00 175.76 174.26 1xty n PRO 106 N -0.42 1.05 0.01 0.00 -0.02 -1.26 -1.18 135.00 133.18 1xty n PRO 106 Ca -0.07 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1xty n PRO 106 Cb 0.61 -2.02 0.52 0.00 -0.02 0.00 0.00 33.50 32.60 1xty n PRO 106 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xty h GLU 107 N 4.98 0.32 0.00 -0.52 4.11 -1.50 0.53 114.58 122.51 1xty h GLU 107 Ca -0.48 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 58.82 1xty h GLU 107 Cb 1.34 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1xty h GLU 107 CO 0.81 0.21 -0.55 -0.91 0.07 0.00 0.00 179.01 178.65 1xty h ASN 108 N 0.33 0.00 -0.11 3.06 -0.26 -1.88 0.37 115.58 117.09 1xty h ASN 108 Ca 0.19 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.81 1xty h ASN 108 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1xty h ASN 108 CO -0.04 0.55 -0.36 0.25 -1.06 0.00 0.00 177.43 176.76 1xty h LEU 109 N 0.00 0.52 -0.98 1.61 5.85 -1.33 -2.81 115.31 118.17 1xty h LEU 109 Ca -0.01 -0.61 -0.10 0.00 0.84 0.00 0.00 57.88 58.01 1xty h LEU 109 Cb 1.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1xty h LEU 109 CO 0.07 1.03 -0.33 0.58 -0.34 0.00 0.00 178.44 179.46 1xty h VAL 110 N 0.03 1.28 0.00 1.05 2.07 -0.83 -2.55 116.25 117.30 1xty h VAL 110 Ca -0.01 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1xty h VAL 110 Cb 0.99 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1xty h VAL 110 CO 0.08 0.42 -0.11 0.44 0.02 0.00 0.00 177.57 178.41 1xty h ASP 111 N 0.29 0.00 0.00 0.57 3.32 -0.17 -0.07 116.42 120.37 1xty h ASP 111 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xty h ASP 111 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1xty h ASP 111 CO 0.06 0.11 0.00 -1.54 -1.72 0.00 0.00 179.24 176.14 1xty n SER 112 N -3.68 0.00 0.00 6.45 3.41 -0.96 -1.06 113.62 117.78 1xty n SER 112 Ca -0.02 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1xty n SER 112 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1xty n SER 112 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xty n ILE 113 N -0.68 0.00 -0.99 -1.33 5.41 -0.12 -4.91 119.36 116.74 1xty n ILE 113 Ca 0.04 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.87 1xty n ILE 113 Cb 0.02 -0.81 0.10 0.00 -0.71 0.00 0.00 39.64 38.25 1xty n ILE 113 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1xty n THR 114 N -2.55 1.55 0.44 1.39 -2.24 -0.70 -4.77 114.28 107.40 1xty n THR 114 Ca 0.00 -1.83 0.05 0.00 -2.27 0.00 0.00 64.05 60.00 1xty n THR 114 Cb 0.33 -0.04 0.25 0.00 -2.10 0.00 0.00 70.33 68.77 1xty n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xty n GLY 115 N -1.14 -0.73 0.91 3.38 0.00 -0.22 -2.71 105.19 104.68 1xty n GLY 115 Ca 0.12 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1xty n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xty n ASP 116 N -1.38 3.53 -4.92 1.61 5.75 -1.26 -5.02 116.55 114.87 1xty n ASP 116 Ca 0.04 -2.28 -0.29 0.00 -0.01 0.00 0.00 54.79 52.24 1xty n ASP 116 Cb 0.10 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 39.77 1xty n ASP 116 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xty s LEU 117 N -1.52 4.30 0.27 -2.12 1.43 -1.10 -5.09 118.68 114.85 1xty s LEU 117 Ca 0.34 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 1xty s LEU 117 Cb 0.21 -2.90 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 1xty s LEU 117 CO 0.17 0.13 0.78 -0.54 0.23 0.00 0.00 176.35 177.13 1xty s LYS 118 N -2.75 4.28 0.50 1.70 1.02 -1.26 -4.89 119.74 118.34 1xty s LYS 118 Ca 0.34 0.95 -0.21 0.00 0.02 0.00 0.00 55.97 57.07 1xty s LYS 118 Cb -0.12 -2.76 -0.07 0.00 -0.52 0.00 0.00 37.83 34.37 1xty s LYS 118 CO 0.28 0.31 1.15 -0.51 -0.92 0.00 0.00 175.35 175.66 1xty s LEU 119 N -2.21 3.89 0.00 3.17 1.43 -1.26 -1.11 118.68 122.59 1xty s LEU 119 Ca 0.47 2.25 0.23 0.00 -1.03 0.00 0.00 54.13 56.05 1xty s LEU 119 Cb -0.16 -4.40 1.38 0.00 0.03 0.00 0.00 46.19 43.04 1xty s LEU 119 CO 0.21 -1.06 1.75 -0.11 0.23 0.00 0.00 176.35 177.36