#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 4.89 0.06 2.02 -1.09 -1.26 -1.18 121.20 124.64 1xty s ILE 2 Ca 0.00 1.22 -0.04 0.00 -2.23 0.00 0.00 60.65 59.59 1xty s ILE 2 Cb 0.00 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1xty s ILE 2 CO 0.00 0.45 0.06 -0.54 -1.23 0.00 0.00 174.94 173.68 1xty s LYS 3 N -0.38 0.68 -0.10 2.79 1.02 -0.41 -4.64 119.74 118.71 1xty s LYS 3 Ca 0.30 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1xty s LYS 3 Cb -0.18 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1xty s LYS 3 CO 0.17 -0.17 -0.11 1.41 -0.92 0.00 0.00 175.35 175.73 1xty s MET 4 N -3.68 3.02 -0.08 1.68 -2.45 -0.93 -1.79 119.30 115.07 1xty s MET 4 Ca 0.04 -0.65 0.05 0.00 -1.25 0.00 0.00 55.69 53.89 1xty s MET 4 Cb 0.05 -2.57 -0.01 0.00 1.25 0.00 0.00 34.83 33.55 1xty s MET 4 CO -0.09 0.43 -0.24 0.08 1.05 0.00 0.00 175.02 176.25 1xty s VAL 5 N -0.21 2.16 -0.16 10.11 1.01 -0.56 -1.12 120.40 131.62 1xty s VAL 5 Ca 0.01 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1xty s VAL 5 Cb -0.13 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1xty s VAL 5 CO 0.03 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.88 1xty s ILE 6 N 0.01 2.30 -0.30 2.22 1.09 -0.50 -0.50 121.20 125.52 1xty s ILE 6 Ca -0.09 -0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 58.47 1xty s ILE 6 Cb -0.15 -1.96 -0.03 0.00 -1.06 0.00 0.00 42.46 39.26 1xty s ILE 6 CO 0.05 0.53 0.20 -0.69 -0.10 0.00 0.00 174.94 174.94 1xty s VAL 7 N 1.01 5.23 -0.08 2.92 1.01 0.14 -1.40 120.40 129.24 1xty s VAL 7 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1xty s VAL 7 Cb -0.15 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1xty s VAL 7 CO -0.05 0.14 0.02 -0.69 0.00 0.00 0.00 175.10 174.51 1xty s VAL 8 N 1.73 4.41 -0.13 2.92 1.01 -0.15 -0.44 120.40 129.76 1xty s VAL 8 Ca 0.06 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1xty s VAL 8 Cb -0.17 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1xty s VAL 8 CO 0.10 0.59 0.97 -0.13 0.00 0.00 0.00 175.10 176.63 1xty s ARG 9 N -0.96 4.38 0.00 2.72 0.52 -0.76 -1.42 118.95 123.44 1xty s ARG 9 Ca 0.14 1.31 0.23 0.00 -0.52 0.00 0.00 55.73 56.89 1xty s ARG 9 Cb -0.11 -3.56 0.15 0.00 0.52 0.00 0.00 34.95 31.95 1xty s ARG 9 CO 0.03 -0.34 1.17 -1.13 0.02 0.00 0.00 175.30 175.06 1xty n SER 10 N 5.15 1.26 -0.09 0.23 3.41 0.06 -4.17 113.62 119.46 1xty n SER 10 Ca 0.08 -1.02 0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1xty n SER 10 Cb 0.49 0.54 0.76 0.00 -0.26 0.00 0.00 64.21 65.73 1xty n SER 10 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xty n ASP 11 N -0.86 0.32 -4.53 4.04 5.75 -1.26 -4.79 116.55 115.22 1xty n ASP 11 Ca 0.07 -0.75 -0.27 0.00 -0.01 0.00 0.00 54.79 53.84 1xty n ASP 11 Cb 0.38 -0.08 -0.10 0.00 -1.03 0.00 0.00 41.12 40.29 1xty n ASP 11 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1xty s ILE 12 N -2.27 2.99 -0.37 2.12 -4.36 -1.26 -5.08 121.20 112.97 1xty s ILE 12 Ca 0.37 -1.70 -0.25 0.00 -0.26 0.00 0.00 60.65 58.80 1xty s ILE 12 Cb 0.21 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1xty s ILE 12 CO 0.42 -0.08 0.89 -0.54 0.24 0.00 0.00 174.94 175.87 1xty s LYS 13 N -2.70 3.81 -0.04 0.37 1.02 -1.26 -5.02 119.74 115.91 1xty s LYS 13 Ca 0.23 0.50 -0.01 0.00 0.02 0.00 0.00 55.97 56.71 1xty s LYS 13 Cb -0.09 -3.81 0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1xty s LYS 13 CO 0.13 -0.94 0.08 -1.64 -0.92 0.00 0.00 175.35 172.06 1xty s MET 14 N 3.40 0.01 0.95 1.68 -1.94 -1.26 -4.83 119.30 117.31 1xty s MET 14 Ca 0.37 0.28 -0.15 0.00 -1.71 0.00 0.00 55.69 54.47 1xty s MET 14 Cb -0.12 -0.24 0.20 0.00 2.01 0.00 0.00 34.83 36.68 1xty s MET 14 CO 0.19 -0.18 1.31 0.20 -0.01 0.00 0.00 175.02 176.52 1xty s GLY 15 N 1.21 1.78 0.14 -0.03 0.00 -1.26 -4.74 107.32 104.42 1xty s GLY 15 Ca -0.08 -1.24 -0.25 0.00 0.00 0.00 0.00 44.72 43.14 1xty s GLY 15 CO -0.04 -0.48 1.61 0.50 0.00 0.00 0.00 173.10 174.69 1xty h LYS 16 N -1.59 -0.37 -0.91 2.90 1.57 -2.01 -0.75 116.57 115.41 1xty h LYS 16 Ca -0.44 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1xty h LYS 16 Cb 1.23 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 1xty h LYS 16 CO 0.38 -0.24 0.58 0.78 -0.57 0.00 0.00 179.45 180.38 1xty h GLY 17 N -0.38 1.30 0.92 3.86 0.00 -1.99 -1.88 103.07 104.90 1xty h GLY 17 Ca 0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1xty h GLY 17 CO -0.34 0.50 -0.06 1.70 0.00 0.00 0.00 176.54 178.33 1xty h LYS 18 N 1.25 -0.17 -0.74 4.80 1.63 -1.79 -1.68 116.57 119.87 1xty h LYS 18 Ca 0.33 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.19 1xty h LYS 18 Cb -0.11 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 1xty h LYS 18 CO -0.07 -0.04 0.45 0.82 -3.45 0.00 0.00 179.45 177.17 1xty h ILE 19 N -0.26 1.06 -0.67 2.00 2.04 -0.99 -0.99 117.51 119.70 1xty h ILE 19 Ca -0.02 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xty h ILE 19 Cb 0.21 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1xty h ILE 19 CO 0.03 0.16 0.41 0.00 0.00 0.00 0.00 178.15 178.75 1xty h ALA 20 N 1.34 0.85 -0.46 1.87 0.00 -1.17 -0.15 119.26 121.54 1xty h ALA 20 Ca 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1xty h ALA 20 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xty h ALA 20 CO -0.14 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.59 1xty h ALA 21 N 1.21 0.61 -0.61 0.00 0.00 -0.66 -1.08 119.26 118.73 1xty h ALA 21 Ca 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1xty h ALA 21 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1xty h ALA 21 CO -0.05 0.24 0.03 1.96 0.00 0.00 0.00 179.25 181.43 1xty h GLN 22 N 0.61 1.05 -0.53 0.00 1.08 -0.83 -0.78 115.11 115.72 1xty h GLN 22 Ca 0.15 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 1xty h GLN 22 Cb 0.23 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1xty h GLN 22 CO -0.01 1.02 0.04 0.28 -0.95 0.00 0.00 178.83 179.21 1xty h VAL 23 N 0.95 1.26 -0.18 -0.54 2.07 -0.92 -1.36 116.25 117.53 1xty h VAL 23 Ca 0.18 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1xty h VAL 23 Cb 0.52 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1xty h VAL 23 CO 0.03 0.37 -0.15 0.00 0.02 0.00 0.00 177.57 177.83 1xty h ALA 24 N 0.96 1.40 -0.35 1.67 0.00 -1.02 -1.20 119.26 120.72 1xty h ALA 24 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1xty h ALA 24 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xty h ALA 24 CO 0.02 0.41 -0.14 1.25 0.00 0.00 0.00 179.25 180.80 1xty h HIS 25 N 0.28 0.82 -0.59 0.00 6.17 -0.73 -1.31 115.15 119.80 1xty h HIS 25 Ca 0.05 -0.19 -0.01 0.00 0.71 0.00 0.00 60.37 60.93 1xty h HIS 25 Cb 0.45 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.15 1xty h HIS 25 CO 0.01 0.90 0.32 0.00 0.71 0.00 0.00 177.93 179.86 1xty h ALA 26 N 0.80 0.76 -0.24 5.26 0.00 -0.79 -1.17 119.26 123.87 1xty h ALA 26 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xty h ALA 26 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xty h ALA 26 CO 0.04 0.28 0.02 0.00 0.00 0.00 0.00 179.25 179.60 1xty h ALA 27 N 1.14 0.33 -0.48 0.00 0.00 -1.11 -2.38 119.26 116.75 1xty h ALA 27 Ca 0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1xty h ALA 27 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xty h ALA 27 CO -0.03 0.03 -0.04 0.28 0.00 0.00 0.00 179.25 179.49 1xty h VAL 28 N 0.21 1.27 -0.84 0.00 2.07 -1.16 -2.34 116.25 115.44 1xty h VAL 28 Ca 0.07 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1xty h VAL 28 Cb 0.37 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1xty h VAL 28 CO 0.01 0.40 0.54 0.74 0.02 0.00 0.00 177.57 179.27 1xty h THR 29 N 0.73 1.13 0.43 2.57 2.02 -1.19 -1.09 112.91 117.50 1xty h THR 29 Ca 0.13 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1xty h THR 29 Cb 0.57 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1xty h THR 29 CO 0.03 0.19 -0.20 -0.07 0.37 0.00 0.00 175.52 175.84 1xty h LEU 30 N 1.05 -0.48 -0.38 2.58 3.38 -1.24 -1.06 115.31 119.15 1xty h LEU 30 Ca 0.34 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.34 1xty h LEU 30 Cb 0.02 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1xty h LEU 30 CO -0.12 -0.30 0.13 0.58 0.09 0.00 0.00 178.44 178.83 1xty h VAL 31 N -0.63 0.89 -0.66 1.22 2.07 -1.21 -0.99 116.25 116.93 1xty h VAL 31 Ca -0.06 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1xty h VAL 31 Cb 0.47 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1xty h VAL 31 CO 0.10 0.05 0.15 0.58 0.02 0.00 0.00 177.57 178.47 1xty h VAL 32 N 0.29 1.26 -0.43 2.57 2.07 -1.19 -0.95 116.25 119.88 1xty h VAL 32 Ca 0.18 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1xty h VAL 32 Cb 0.15 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1xty h VAL 32 CO -0.18 0.37 0.03 0.77 0.02 0.00 0.00 177.57 178.58 1xty h SER 33 N 0.99 0.63 -0.09 0.57 4.64 -0.77 -1.05 113.55 118.48 1xty h SER 33 Ca 0.21 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1xty h SER 33 Cb 0.38 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1xty h SER 33 CO 0.00 0.68 -0.11 0.40 -0.87 0.00 0.00 176.83 176.94 1xty h ILE 34 N 0.64 1.38 -0.56 0.95 2.04 -0.89 -2.22 117.51 118.85 1xty h ILE 34 Ca 0.14 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.70 1xty h ILE 34 Cb 0.35 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1xty h ILE 34 CO 0.01 0.37 0.37 0.40 0.00 0.00 0.00 178.15 179.30 1xty h ILE 35 N -0.21 1.07 -0.10 -0.67 2.04 -0.98 -1.43 117.51 117.23 1xty h ILE 35 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xty h ILE 35 Cb 0.65 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1xty h ILE 35 CO 0.03 0.12 0.00 0.59 0.00 0.00 0.00 178.15 178.89 1xty n ASN 36 N -4.47 1.44 -4.20 1.72 5.03 -0.41 -4.91 115.26 109.46 1xty n ASN 36 Ca 0.07 -1.59 -0.21 0.00 0.87 0.00 0.00 54.58 53.71 1xty n ASN 36 Cb 0.14 -0.06 0.12 0.00 -1.02 0.00 0.00 39.78 38.95 1xty n ASN 36 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xty n SER 37 N 0.15 1.07 -0.43 6.41 3.41 -0.54 -5.01 113.62 118.68 1xty n SER 37 Ca 0.17 -1.95 0.07 0.00 -0.26 0.00 0.00 58.87 56.91 1xty n SER 37 Cb 0.31 -0.62 0.16 0.00 -0.26 0.00 0.00 64.21 63.80 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 -3.02 1.83 -4.41 4.04 6.94 -1.26 -4.97 115.26 114.40 1xty n ASN 38 Ca 0.15 -3.35 -0.44 0.00 -0.02 0.00 0.00 54.58 50.92 1xty n ASN 38 Cb 0.53 -0.46 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1xty n ASN 38 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xty s ASN 39 N -2.89 6.20 0.29 0.53 3.84 -1.26 -4.94 114.94 116.72 1xty s ASN 39 Ca 0.33 -1.14 -0.02 0.00 0.21 0.00 0.00 52.86 52.24 1xty s ASN 39 Cb 0.31 -2.29 0.43 0.00 -0.55 0.00 0.00 41.25 39.15 1xty s ASN 39 CO -0.03 -0.99 1.95 -0.07 -2.79 0.00 0.00 177.10 175.17 1xty h LEU 40 N 9.81 0.98 -0.13 3.21 -0.00 -1.97 -2.23 115.31 124.98 1xty h LEU 40 Ca -0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1xty h LEU 40 Cb 1.09 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 1xty h LEU 40 CO 1.02 0.69 0.05 -0.09 -0.00 0.00 0.00 178.44 180.10 1xty h ARG 41 N 1.14 0.20 -0.70 1.13 9.65 -2.00 -1.73 114.38 122.07 1xty h ARG 41 Ca 0.34 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.23 1xty h ARG 41 Cb -0.04 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 1xty h ARG 41 CO -0.09 0.31 0.42 -1.49 2.80 0.00 0.00 179.97 181.92 1xty h TRP 42 N 0.04 0.78 -0.20 2.20 4.06 -1.89 -1.73 115.95 119.21 1xty h TRP 42 Ca 0.04 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.94 1xty h TRP 42 Cb 0.19 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 1xty h TRP 42 CO -0.01 0.42 -0.19 0.87 -3.56 0.00 0.00 178.44 175.96 1xty h LYS 43 N 0.80 0.35 -0.14 0.49 1.57 -1.25 -1.13 116.57 117.26 1xty h LYS 43 Ca 0.30 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1xty h LYS 43 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1xty h LYS 43 CO -0.14 0.54 0.02 0.93 -0.57 0.00 0.00 179.45 180.23 1xty h GLU 44 N 0.32 0.23 -0.89 3.15 5.08 -0.61 -1.47 114.58 120.40 1xty h GLU 44 Ca 0.06 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1xty h GLU 44 Cb 0.53 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1xty h GLU 44 CO 0.04 0.43 0.59 -1.49 -1.00 0.00 0.00 179.01 177.57 1xty h TRP 45 N 0.01 1.11 -0.25 4.33 6.55 -1.04 -1.73 115.95 124.93 1xty h TRP 45 Ca 0.04 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.88 1xty h TRP 45 Cb 0.31 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 1xty h TRP 45 CO 0.02 0.70 0.05 1.25 -1.05 0.00 0.00 178.44 179.42 1xty h LEU 46 N 1.20 0.38 -0.52 -4.49 5.85 -1.01 -0.32 115.31 116.41 1xty h LEU 46 Ca 0.32 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xty h LEU 46 Cb -0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1xty h LEU 46 CO -0.07 0.52 0.31 -1.13 -0.34 0.00 0.00 178.44 177.73 1xty h ASN 47 N 0.22 0.50 -0.70 1.25 -0.73 -0.92 -1.44 115.58 113.76 1xty h ASN 47 Ca 0.08 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.18 1xty h ASN 47 Cb 0.30 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 1xty h ASN 47 CO 0.00 0.35 0.16 -0.33 -0.37 0.00 0.00 177.43 177.24 1xty h GLU 48 N 0.62 1.13 -0.45 6.67 5.08 -1.21 -2.28 114.58 124.13 1xty h GLU 48 Ca 0.21 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1xty h GLU 48 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1xty h GLU 48 CO -0.09 1.00 0.29 2.35 -1.00 0.00 0.00 179.01 181.56 1xty h TRP 49 N 1.06 0.55 -0.77 4.33 7.01 -0.56 0.14 115.95 127.71 1xty h TRP 49 Ca 0.22 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 1xty h TRP 49 Cb 0.39 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1xty h TRP 49 CO 0.03 0.34 0.32 -0.07 -2.79 0.00 0.00 178.44 176.27 1xty h LEU 50 N 0.59 1.04 -1.55 0.65 3.38 -1.12 0.27 115.31 118.57 1xty h LEU 50 Ca 0.17 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1xty h LEU 50 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xty h LEU 50 CO -0.05 0.92 -0.22 0.45 0.09 0.00 0.00 178.44 179.63 1xty h HIS 51 N 1.10 0.00 -0.16 1.13 3.86 -0.88 -2.64 115.15 117.56 1xty h HIS 51 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1xty h HIS 51 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1xty h HIS 51 CO 0.02 0.22 0.00 1.04 0.86 0.00 0.00 177.93 180.07 1xty n GLN 52 N -3.80 1.66 -0.27 2.45 6.02 -0.01 -4.90 117.38 118.53 1xty n GLN 52 Ca -0.02 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.98 1xty n GLN 52 Cb 0.32 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.21 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 1.09 0.85 3.78 1.08 0.00 -0.99 -4.45 105.19 106.53 1xty n GLY 53 Ca 0.15 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.27 -5.22 -1.67 1.61 6.02 0.02 -4.88 117.38 110.99 1xty n GLN 54 Ca 0.00 0.62 -0.46 0.00 -0.01 0.00 0.00 57.00 57.15 1xty n GLN 54 Cb 0.00 -5.31 -0.04 0.00 1.02 0.00 0.00 30.24 25.91 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 -4.45 2.16 -4.59 -1.09 -0.02 -1.26 -4.92 135.00 120.84 1xty n PRO 55 Ca -0.17 0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 61.87 1xty n PRO 55 Cb 0.62 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.14 1.15 -0.21 -0.52 1.02 -1.26 -2.19 119.74 118.86 1xty s LYS 56 Ca 0.80 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1xty s LYS 56 Cb -0.68 -1.14 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 1xty s LYS 56 CO 0.39 0.30 -0.15 0.42 -0.92 0.00 0.00 175.35 175.38 1xty s ILE 57 N -0.55 2.26 -0.36 2.17 1.01 -0.28 -4.97 121.20 120.49 1xty s ILE 57 Ca 0.05 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 1xty s ILE 57 Cb -0.07 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.37 1xty s ILE 57 CO 0.00 0.37 0.18 -0.63 0.00 0.00 0.00 174.94 174.87 1xty s ILE 58 N 1.27 4.41 0.55 2.92 1.01 -1.26 -1.41 121.20 128.68 1xty s ILE 58 Ca 0.02 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.80 1xty s ILE 58 Cb -0.15 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1xty s ILE 58 CO -0.10 -0.21 0.23 0.68 0.00 0.00 0.00 174.94 175.54 1xty s VAL 59 N 1.52 1.30 0.07 2.92 -7.23 -0.49 -1.10 120.40 117.39 1xty s VAL 59 Ca 0.01 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1xty s VAL 59 Cb -0.19 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1xty s VAL 59 CO 0.06 0.00 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.21 1xty s LYS 60 N -4.13 0.72 0.02 4.82 -2.85 -0.48 -0.97 119.74 116.87 1xty s LYS 60 Ca 0.18 -1.28 -0.04 0.00 -1.00 0.00 0.00 55.97 53.84 1xty s LYS 60 Cb -0.01 0.03 -0.01 0.00 -2.06 0.00 0.00 37.83 35.77 1xty s LYS 60 CO 0.11 -0.07 0.05 0.14 0.10 0.00 0.00 175.35 175.68 1xty s VAL 61 N -3.79 0.11 -1.05 1.79 -7.23 -0.51 -4.22 120.40 105.50 1xty s VAL 61 Ca 0.09 -0.91 0.18 0.00 -1.81 0.00 0.00 61.98 59.53 1xty s VAL 61 Cb 0.07 -0.49 0.73 0.00 0.56 0.00 0.00 36.38 37.25 1xty s VAL 61 CO -0.07 -0.50 1.64 -0.46 -0.31 0.00 0.00 175.10 175.40 1xty n ASN 62 N 1.33 4.86 -3.52 4.85 6.94 -1.26 -0.76 115.26 127.69 1xty n ASN 62 Ca -0.22 -2.50 -0.15 0.00 -0.02 0.00 0.00 54.58 51.68 1xty n ASN 62 Cb 0.56 -0.59 -0.05 0.00 -2.36 0.00 0.00 39.78 37.34 1xty n ASN 62 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xty s SER 63 N -0.87 -0.56 0.28 0.53 1.04 -1.26 -4.35 113.70 108.51 1xty s SER 63 Ca 0.51 0.39 -0.01 0.00 0.48 0.00 0.00 55.95 57.33 1xty s SER 63 Cb 0.34 0.53 0.40 0.00 0.10 0.00 0.00 66.02 67.39 1xty s SER 63 CO 0.23 -0.71 1.79 0.25 0.98 0.00 0.00 173.24 175.79 1xty h LEU 64 N 2.76 0.71 -1.42 2.42 5.85 -1.96 -2.84 115.31 120.82 1xty h LEU 64 Ca -0.30 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1xty h LEU 64 Cb 1.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1xty h LEU 64 CO 0.39 0.76 0.41 0.44 -0.34 0.00 0.00 178.44 180.10 1xty h ASP 65 N 0.71 0.66 0.72 1.25 3.32 -1.99 0.10 116.42 121.18 1xty h ASP 65 Ca 0.14 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1xty h ASP 65 Cb 0.40 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xty h ASP 65 CO 0.01 0.47 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.38 1xty h GLU 66 N 0.77 0.00 -0.03 3.56 5.08 -1.92 -0.66 114.58 121.38 1xty h GLU 66 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1xty h GLU 66 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xty h GLU 66 CO -0.06 0.29 -0.14 0.82 -1.00 0.00 0.00 179.01 178.92 1xty h ILE 67 N 0.00 1.50 -0.64 3.13 1.08 -1.01 -2.87 117.51 118.70 1xty h ILE 67 Ca -0.00 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1xty h ILE 67 Cb 0.73 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 36.98 1xty h ILE 67 CO 0.04 0.45 0.37 0.40 -0.69 0.00 0.00 178.15 178.72 1xty h ILE 68 N -0.47 1.19 -0.85 -0.67 1.08 -0.98 0.24 117.51 117.06 1xty h ILE 68 Ca -0.01 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1xty h ILE 68 Cb 0.81 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 1xty h ILE 68 CO 0.03 0.21 0.52 0.77 -0.69 0.00 0.00 178.15 178.98 1xty h SER 69 N 0.87 1.01 0.77 1.72 4.64 -1.19 -1.29 113.55 120.08 1xty h SER 69 Ca 0.23 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 1xty h SER 69 Cb 0.01 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1xty h SER 69 CO -0.04 0.77 -0.83 0.03 -0.87 0.00 0.00 176.83 175.89 1xty h ARG 70 N 1.17 0.04 -0.19 4.77 3.08 -1.18 -2.62 114.38 119.44 1xty h ARG 70 Ca 0.31 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.21 1xty h ARG 70 Cb -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1xty h ARG 70 CO -0.06 0.84 -0.32 0.00 -1.07 0.00 0.00 179.97 179.37 1xty h ALA 71 N 1.14 1.10 -0.44 0.04 0.00 -0.40 -2.21 119.26 118.49 1xty h ALA 71 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1xty h ALA 71 Cb 1.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1xty h ALA 71 CO 0.11 0.57 0.10 -0.22 0.00 0.00 0.00 179.25 179.81 1xty h LYS 72 N 0.34 0.70 -0.26 0.00 3.11 -1.10 -0.52 116.57 118.83 1xty h LYS 72 Ca 0.04 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1xty h LYS 72 Cb 0.73 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1xty h LYS 72 CO 0.06 0.71 0.17 0.87 -2.81 0.00 0.00 179.45 178.45 1xty h LYS 73 N 0.57 0.35 -0.56 1.90 1.57 -1.27 -0.49 116.57 118.65 1xty h LYS 73 Ca 0.14 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1xty h LYS 73 Cb 0.33 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1xty h LYS 73 CO 0.00 0.24 0.32 0.00 -0.57 0.00 0.00 179.45 179.45 1xty h ALA 74 N 1.09 0.72 -0.41 3.86 0.00 -1.17 -2.03 119.26 121.32 1xty h ALA 74 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xty h ALA 74 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xty h ALA 74 CO -0.02 0.02 0.19 1.49 0.00 0.00 0.00 179.25 180.93 1xty h GLU 75 N 0.63 0.59 -0.24 0.00 4.22 -0.78 -0.59 114.58 118.41 1xty h GLU 75 Ca 0.23 -0.09 -0.05 0.00 0.08 0.00 0.00 59.36 59.53 1xty h GLU 75 Cb 0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1xty h GLU 75 CO -0.12 0.52 -0.08 1.15 -2.18 0.00 0.00 179.01 178.30 1xty h THR 76 N 0.52 1.19 -0.01 0.32 2.02 -0.80 -1.79 112.91 114.35 1xty h THR 76 Ca 0.14 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1xty h THR 76 Cb 0.12 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1xty h THR 76 CO -0.02 0.26 -0.00 0.23 0.37 0.00 0.00 175.52 176.36 1xty n MET 77 N -4.27 1.55 -3.21 6.66 2.81 -0.79 -4.95 117.12 114.92 1xty n MET 77 Ca 0.00 -0.81 -0.15 0.00 -1.81 0.00 0.00 57.70 54.94 1xty n MET 77 Cb 0.26 -1.48 0.07 0.00 -0.71 0.00 0.00 33.22 31.36 1xty n MET 77 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1xty n ASN 78 N -0.02 -2.58 -4.73 7.83 5.15 -0.67 -5.04 115.26 115.20 1xty n ASN 78 Ca 0.20 -0.50 -0.30 0.00 -0.60 0.00 0.00 54.58 53.37 1xty n ASN 78 Cb 0.32 -4.30 -0.07 0.00 -0.53 0.00 0.00 39.78 35.19 1xty n ASN 78 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xty s LEU 79 N -5.69 3.63 0.37 1.20 1.43 -0.30 -5.04 118.68 114.29 1xty s LEU 79 Ca 0.07 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 1xty s LEU 79 Cb -0.03 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 1xty s LEU 79 CO 0.60 0.17 1.17 -2.16 0.23 0.00 0.00 176.35 176.37 1xty s PRO 80 N -2.36 4.22 0.07 1.29 0.04 -1.26 -4.52 135.00 132.48 1xty s PRO 80 Ca 0.28 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 1xty s PRO 80 Cb -0.12 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1xty s PRO 80 CO 0.20 -0.19 0.24 -0.59 0.04 0.00 0.00 177.00 176.70 1xty s PHE 81 N -1.33 0.03 -0.02 0.56 -0.12 -1.26 -0.94 117.98 114.90 1xty s PHE 81 Ca 0.53 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 1xty s PHE 81 Cb -0.32 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.12 1xty s PHE 81 CO 0.41 -0.53 0.03 -1.54 -0.05 0.00 0.00 175.22 173.53 1xty s SER 82 N -2.54 0.11 -0.33 1.98 1.04 0.04 -4.93 113.70 109.07 1xty s SER 82 Ca 0.01 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.38 1xty s SER 82 Cb 0.02 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1xty s SER 82 CO -0.08 -0.13 0.15 -0.63 0.98 0.00 0.00 173.24 173.53 1xty s ILE 83 N 1.08 4.42 -0.14 -1.02 1.01 -1.26 -0.77 121.20 124.51 1xty s ILE 83 Ca -0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1xty s ILE 83 Cb -0.13 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 1xty s ILE 83 CO -0.03 -0.05 0.30 -0.63 0.00 0.00 0.00 174.94 174.53 1xty s ILE 84 N 1.56 5.29 0.08 2.92 -1.09 -0.72 -5.04 121.20 124.20 1xty s ILE 84 Ca 0.03 0.58 0.10 0.00 -2.23 0.00 0.00 60.65 59.13 1xty s ILE 84 Cb -0.18 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1xty s ILE 84 CO 0.05 0.42 -0.26 -1.61 -1.23 0.00 0.00 174.94 172.31 1xty s GLU 85 N 0.23 1.59 0.54 2.79 2.02 -1.26 -0.71 118.70 123.90 1xty s GLU 85 Ca 0.18 -1.22 -0.20 0.00 0.02 0.00 0.00 54.97 53.75 1xty s GLU 85 Cb -0.13 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 1xty s GLU 85 CO 0.05 0.48 1.16 0.34 0.02 0.00 0.00 175.26 177.30 1xty s ASP 86 N -1.62 5.66 0.00 -0.19 -1.08 0.30 -4.79 116.67 114.94 1xty s ASP 86 Ca 0.13 2.25 0.29 0.00 -0.52 0.00 0.00 52.55 54.70 1xty s ASP 86 Cb -0.10 -2.59 1.25 0.00 -1.46 0.00 0.00 42.92 40.02 1xty s ASP 86 CO 0.04 -1.27 1.86 0.00 0.52 0.00 0.00 175.17 176.32 1xty n ALA 87 N -1.25 2.61 -2.88 3.66 0.00 -1.26 -0.88 120.51 120.51 1xty n ALA 87 Ca 0.11 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1xty n ALA 87 Cb 0.50 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 1.14 -0.44 0.02 0.00 0.00 -1.26 -4.68 105.19 99.97 1xty n GLY 88 Ca 0.20 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1xty n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xty n LYS 89 N -3.67 0.06 0.00 1.61 4.76 -1.26 -4.66 118.16 114.99 1xty n LYS 89 Ca -0.13 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1xty n LYS 89 Cb 0.62 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1xty n LYS 89 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1xty n THR 90 N -1.64 0.00 -0.01 -0.18 -2.24 -1.26 -5.07 114.28 103.88 1xty n THR 90 Ca 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1xty n THR 90 Cb 0.36 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1xty n THR 90 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xty h GLN 91 N 0.00 -0.01 -6.38 -0.78 4.20 -1.97 -3.42 115.11 106.75 1xty h GLN 91 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 1xty h GLN 91 Cb 0.00 0.00 0.10 0.00 0.30 0.00 0.00 27.48 27.88 1xty h GLN 91 CO 0.00 -0.00 0.10 1.28 -0.67 0.00 0.00 178.83 179.53 1xty n LEU 92 N -3.00 1.37 -4.77 1.46 4.77 -1.26 -4.93 117.00 110.64 1xty n LEU 92 Ca -0.00 1.16 -0.40 0.00 -0.03 0.00 0.00 56.01 56.75 1xty n LEU 92 Cb 0.01 -1.23 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1xty n LEU 92 CO -0.00 -1.55 0.87 -1.61 -1.33 0.00 0.00 177.39 173.76 1xty s GLU 93 N -1.15 4.31 0.33 3.23 0.41 -1.26 -4.21 118.70 120.37 1xty s GLU 93 Ca 0.63 1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 56.84 1xty s GLU 93 Cb -0.77 -2.94 -0.11 0.00 -1.78 0.00 0.00 34.13 28.53 1xty s GLU 93 CO 0.57 -0.12 1.40 -1.25 -0.49 0.00 0.00 175.26 175.37 1xty s PRO 94 N -1.91 4.25 0.00 0.39 0.04 -1.26 -2.42 135.00 134.09 1xty s PRO 94 Ca 0.51 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1xty s PRO 94 Cb -0.34 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1xty s PRO 94 CO 0.43 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1xty n GLY 95 N 0.96 0.62 3.68 0.56 0.00 -0.06 -4.88 105.19 106.06 1xty n GLY 95 Ca 0.02 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 -2.16 3.50 0.00 2.61 2.01 -1.02 -4.65 115.64 115.94 1xty s THR 96 Ca 0.00 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 1xty s THR 96 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 1xty s THR 96 CO 0.00 -0.02 1.40 -0.63 -0.69 0.00 0.00 174.62 174.68 1xty s ILE 97 N 2.85 3.71 -0.16 1.82 1.01 -1.26 -0.54 121.20 128.62 1xty s ILE 97 Ca 0.68 1.09 0.06 0.00 0.00 0.00 0.00 60.65 62.49 1xty s ILE 97 Cb -0.34 -3.70 -0.14 0.00 0.01 0.00 0.00 42.46 38.28 1xty s ILE 97 CO 0.28 -0.00 -0.07 0.35 0.00 0.00 0.00 174.94 175.50 1xty n THR 98 N 4.65 1.02 -3.84 2.92 -2.24 0.11 -4.94 114.28 111.96 1xty n THR 98 Ca 0.13 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1xty n THR 98 Cb 0.44 -0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 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 1.51 -0.06 0.00 2.96 0.42 -1.75 118.68 118.83 1xty s LEU 100 Ca 0.11 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1xty s LEU 100 Cb -0.06 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 1xty s LEU 100 CO 0.06 -0.01 0.02 -0.83 -1.32 0.00 0.00 176.35 174.28 1xty s GLY 101 N 0.87 1.90 -0.02 7.98 0.00 0.05 0.23 107.32 118.33 1xty s GLY 101 Ca -0.11 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1xty s GLY 101 CO 0.01 -0.63 -0.05 -0.42 0.00 0.00 0.00 173.10 172.01 1xty s ILE 102 N -0.98 0.49 0.00 0.90 1.01 0.34 -0.78 121.20 122.19 1xty s ILE 102 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1xty s ILE 102 Cb -0.11 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1xty s ILE 102 CO 0.06 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1xty n GLY 103 N 3.52 -1.86 3.75 6.18 0.00 -0.11 -1.50 105.19 115.18 1xty n GLY 103 Ca -0.20 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1xty n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xty n PRO 104 N 0.00 1.99 -3.63 1.61 -0.02 -1.26 -4.68 135.00 129.01 1xty n PRO 104 Ca 0.00 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1xty n PRO 104 Cb 0.00 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 1xty n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xty s ALA 105 N -1.24 -1.59 0.09 3.55 0.00 -0.74 -4.68 121.76 117.15 1xty s ALA 105 Ca 0.66 0.36 -0.36 0.00 0.00 0.00 0.00 51.96 52.62 1xty s ALA 105 Cb -0.43 0.68 -0.16 0.00 0.00 0.00 0.00 23.12 23.21 1xty s ALA 105 CO 0.53 -0.88 1.40 -2.30 0.00 0.00 0.00 175.76 174.51 1xty n PRO 106 N -0.39 1.34 -0.26 0.00 -0.02 -1.26 -1.28 135.00 133.13 1xty n PRO 106 Ca -0.09 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 1xty n PRO 106 Cb 0.62 -2.15 0.20 0.00 -0.02 0.00 0.00 33.50 32.14 1xty n PRO 106 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xty h GLU 107 N 4.94 0.22 0.00 -0.52 4.81 -1.46 0.58 114.58 123.14 1xty h GLU 107 Ca -0.47 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1xty h GLU 107 Cb 1.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1xty h GLU 107 CO 0.81 0.14 -0.29 -0.91 -0.73 0.00 0.00 179.01 178.03 1xty h ASN 108 N 0.22 0.00 -0.13 1.04 2.35 -1.89 0.86 115.58 118.04 1xty h ASN 108 Ca 0.45 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.98 1xty h ASN 108 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.19 1xty h ASN 108 CO -0.57 0.29 -0.77 0.25 -1.65 0.00 0.00 177.43 174.98 1xty h LEU 109 N 0.00 0.89 -0.72 1.61 5.85 -1.31 -2.69 115.31 118.95 1xty h LEU 109 Ca -0.00 -0.65 -0.14 0.00 0.84 0.00 0.00 57.88 57.93 1xty h LEU 109 Cb 0.87 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1xty h LEU 109 CO 0.04 1.40 -0.60 0.58 -0.34 0.00 0.00 178.44 179.52 1xty h VAL 110 N 0.45 1.41 0.00 1.05 2.07 -0.87 -2.73 116.25 117.63 1xty h VAL 110 Ca -0.06 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 1xty h VAL 110 Cb 1.41 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1xty h VAL 110 CO 0.16 0.59 -0.15 0.44 0.02 0.00 0.00 177.57 178.62 1xty h ASP 111 N 0.10 0.00 -0.27 0.57 3.32 -0.72 0.14 116.42 119.56 1xty h ASP 111 Ca -0.01 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.12 1xty h ASP 111 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1xty h ASP 111 CO 0.09 0.15 0.26 0.28 -1.72 0.00 0.00 179.24 178.30 1xty h SER 112 N 0.00 0.00 0.00 6.45 0.02 -1.14 -2.80 113.55 116.08 1xty h SER 112 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1xty h SER 112 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1xty h SER 112 CO 0.02 0.00 -1.35 -0.38 -1.14 0.00 0.00 176.83 173.98 1xty n ILE 113 N -3.91 1.50 -2.55 3.27 5.41 0.30 -4.75 119.36 118.62 1xty n ILE 113 Ca 0.04 0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.41 1xty n ILE 113 Cb 0.41 -2.23 0.02 0.00 -0.71 0.00 0.00 39.64 37.13 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 -4.42 5.35 -0.08 1.39 -2.24 -0.06 -4.79 114.28 109.43 1xty n THR 114 Ca -0.24 -5.66 -0.15 0.00 -2.27 0.00 0.00 64.05 55.73 1xty n THR 114 Cb 0.59 -1.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 1xty n THR 114 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xty h GLY 115 N 3.86 0.00 -2.08 3.38 0.00 -1.75 -3.38 103.07 103.09 1xty h GLY 115 Ca 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.77 1xty h GLY 115 CO 1.18 0.00 0.07 2.09 0.00 0.00 0.00 176.54 179.88 1xty n ASP 116 N -4.56 2.73 -4.76 0.19 5.75 -1.26 -4.92 116.55 109.72 1xty n ASP 116 Ca -0.17 -2.36 -0.37 0.00 -0.01 0.00 0.00 54.79 51.88 1xty n ASP 116 Cb 0.49 -0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 39.94 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 -0.89 4.31 0.35 -2.12 1.43 -1.26 -5.06 118.68 115.43 1xty s LEU 117 Ca 0.17 0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 53.65 1xty s LEU 117 Cb 0.13 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.82 1xty s LEU 117 CO 0.04 0.16 1.10 -0.54 0.23 0.00 0.00 176.35 177.35 1xty s LYS 118 N 0.04 4.32 0.45 1.70 1.02 -1.26 -4.83 119.74 121.18 1xty s LYS 118 Ca 0.19 1.72 -0.24 0.00 0.02 0.00 0.00 55.97 57.66 1xty s LYS 118 Cb -0.14 -2.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.27 1xty s LYS 118 CO 0.07 -0.06 1.27 -0.51 -0.92 0.00 0.00 175.35 175.20 1xty s LEU 119 N -2.14 4.08 0.00 3.17 1.43 -1.26 -1.38 118.68 122.58 1xty s LEU 119 Ca 0.52 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1xty s LEU 119 Cb -0.28 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1xty s LEU 119 CO 0.36 -1.01 0.50 -0.11 0.23 0.00 0.00 176.35 176.32