#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu0 n GLY 3 N 0.00 0.69 3.40 5.00 0.00 -1.26 -5.04 105.19 107.98 1nu0 n GLY 3 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1nu0 n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nu0 s THR 4 N -2.00 2.48 0.00 2.61 2.01 -1.26 -2.30 115.64 117.18 1nu0 s THR 4 Ca 0.00 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 60.78 1nu0 s THR 4 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1nu0 s THR 4 CO 0.00 0.40 0.00 0.18 -0.69 0.00 0.00 174.62 174.51 1nu0 n LEU 5 N 1.80 0.00 -3.61 4.42 4.32 0.59 -0.00 117.00 124.51 1nu0 n LEU 5 Ca -0.17 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.75 1nu0 n LEU 5 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.27 1nu0 n LEU 5 CO 0.25 -0.02 0.92 0.00 -1.22 0.00 0.00 177.39 177.32 1nu0 s ALA 7 N -2.00 -2.02 -0.02 -1.18 0.00 0.08 -0.62 121.76 116.01 1nu0 s ALA 7 Ca 0.00 1.72 0.07 0.00 0.00 0.00 0.00 51.96 53.75 1nu0 s ALA 7 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1nu0 s ALA 7 CO 0.00 -0.26 -0.22 -0.06 0.00 0.00 0.00 175.76 175.22 1nu0 s PHE 8 N -0.87 1.97 -0.37 0.00 0.08 0.15 -1.15 117.98 117.79 1nu0 s PHE 8 Ca 0.03 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1nu0 s PHE 8 Cb -0.01 -1.27 0.10 0.00 -0.57 0.00 0.00 43.02 41.27 1nu0 s PHE 8 CO -0.03 -0.04 0.13 0.34 -0.10 0.00 0.00 175.22 175.51 1nu0 s ASP 9 N -0.50 5.02 0.29 1.36 2.15 -0.11 -1.60 116.67 123.29 1nu0 s ASP 9 Ca 0.08 -2.07 -0.29 0.00 0.43 0.00 0.00 52.55 50.70 1nu0 s ASP 9 Cb -0.09 -1.73 -0.10 0.00 -0.30 0.00 0.00 42.92 40.70 1nu0 s ASP 9 CO -0.01 -0.46 1.26 0.12 -0.17 0.00 0.00 175.17 175.91 1nu0 s PHE 10 N 1.03 3.22 0.21 -5.34 5.36 -1.26 -0.84 117.98 120.37 1nu0 s PHE 10 Ca 0.09 1.45 -0.10 0.00 -0.96 0.00 0.00 56.93 57.41 1nu0 s PHE 10 Cb -0.21 -3.57 -0.01 0.00 -0.34 0.00 0.00 43.02 38.90 1nu0 s PHE 10 CO -0.06 -1.53 0.37 0.20 -1.46 0.00 0.00 175.22 172.74 1nu0 s GLY 11 N -0.43 0.62 0.09 13.12 0.00 -0.82 -4.94 107.32 114.97 1nu0 s GLY 11 Ca 0.49 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1nu0 s GLY 11 CO 0.47 -0.79 1.18 -0.91 0.00 0.00 0.00 173.10 173.06 1nu0 h THR 12 N 2.39 1.48 -0.00 0.90 1.35 -1.93 -3.34 112.91 113.76 1nu0 h THR 12 Ca -0.29 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 1nu0 h THR 12 Cb 1.24 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 1nu0 h THR 12 CO 0.42 0.86 -0.54 2.29 -0.25 0.00 0.00 175.52 178.29 1nu0 n LYS 13 N -3.58 2.23 -3.60 4.72 2.85 -1.26 0.71 118.16 120.23 1nu0 n LYS 13 Ca -0.08 -0.24 -0.15 0.00 -1.05 0.00 0.00 58.31 56.79 1nu0 n LYS 13 Cb 0.98 -1.18 -0.07 0.00 -0.65 0.00 0.00 35.03 34.12 1nu0 n LYS 13 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1nu0 s SER 14 N -2.13 -0.72 -0.23 -5.58 0.15 -1.25 -1.70 113.70 102.24 1nu0 s SER 14 Ca 0.07 1.24 -0.01 0.00 0.70 0.00 0.00 55.95 57.95 1nu0 s SER 14 Cb 0.11 1.21 0.02 0.00 -1.71 0.00 0.00 66.02 65.64 1nu0 s SER 14 CO 0.50 -0.35 -0.09 -0.63 1.20 0.00 0.00 173.24 173.87 1nu0 s ILE 15 N -0.06 2.74 0.50 6.45 1.01 -0.20 -1.95 121.20 129.70 1nu0 s ILE 15 Ca -0.03 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 1nu0 s ILE 15 Cb -0.04 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 1nu0 s ILE 15 CO 0.03 0.32 1.03 -0.83 0.00 0.00 0.00 174.94 175.49 1nu0 s GLY 16 N 1.34 2.37 -0.02 6.18 0.00 -0.02 -0.75 107.32 116.41 1nu0 s GLY 16 Ca 0.02 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.25 1nu0 s GLY 16 CO -0.06 0.81 -0.05 0.14 0.00 0.00 0.00 173.10 173.93 1nu0 s VAL 17 N -2.16 0.48 0.03 1.40 1.01 -1.26 -0.93 120.40 118.97 1nu0 s VAL 17 Ca 0.65 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1nu0 s VAL 17 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1nu0 s VAL 17 CO 0.24 0.17 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 1nu0 s ALA 18 N 0.34 0.38 -0.03 5.51 0.00 -0.30 -1.36 121.76 126.30 1nu0 s ALA 18 Ca -0.04 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1nu0 s ALA 18 Cb -0.08 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1nu0 s ALA 18 CO -0.00 -0.10 -0.20 0.14 0.00 0.00 0.00 175.76 175.59 1nu0 s VAL 19 N -1.59 1.65 0.11 0.00 -7.23 -0.02 -0.74 120.40 112.57 1nu0 s VAL 19 Ca -0.11 -0.87 0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1nu0 s VAL 19 Cb -0.09 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1nu0 s VAL 19 CO -0.01 0.47 -0.23 -0.83 -0.31 0.00 0.00 175.10 174.19 1nu0 s GLY 20 N -0.30 1.34 -0.34 2.32 0.00 0.21 -0.47 107.32 110.08 1nu0 s GLY 20 Ca 0.03 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.38 1nu0 s GLY 20 CO 0.01 -1.32 0.11 1.62 0.00 0.00 0.00 173.10 173.52 1nu0 s GLN 21 N -1.98 2.57 0.61 2.90 0.74 -0.85 -0.30 119.66 123.35 1nu0 s GLN 21 Ca 0.09 -1.23 0.32 0.00 0.05 0.00 0.00 55.36 54.58 1nu0 s GLN 21 Cb -0.10 -3.45 1.84 0.00 1.10 0.00 0.00 33.01 32.39 1nu0 s GLN 21 CO 0.05 -0.69 2.19 0.07 -0.55 0.00 0.00 175.29 176.35 1nu0 h ARG 22 N 8.20 0.00 0.00 1.67 0.11 -1.78 -0.54 114.38 122.04 1nu0 h ARG 22 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1nu0 h ARG 22 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1nu0 h ARG 22 CO 0.61 0.00 -0.27 1.51 0.10 0.00 0.00 179.97 181.92 1nu0 n ILE 23 N -3.65 0.11 -0.01 0.08 0.13 -1.26 -3.46 119.36 111.30 1nu0 n ILE 23 Ca -0.01 -0.07 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1nu0 n ILE 23 Cb 0.20 -0.19 0.00 0.00 -0.84 0.00 0.00 39.64 38.82 1nu0 n ILE 23 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1nu0 n THR 24 N -1.67 0.00 -2.99 9.51 -2.24 -0.82 -5.00 114.28 111.08 1nu0 n THR 24 Ca 0.06 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.17 1nu0 n THR 24 Cb 0.36 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1nu0 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nu0 n GLY 25 N 0.01 -0.49 3.50 3.38 0.00 -0.27 -4.93 105.19 106.40 1nu0 n GLY 25 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1nu0 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nu0 s THR 26 N -2.69 3.46 -0.13 2.61 -4.23 -1.22 -4.98 115.64 108.46 1nu0 s THR 26 Ca 0.23 -0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1nu0 s THR 26 Cb -0.12 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 1nu0 s THR 26 CO 0.28 0.57 -0.12 0.00 -0.54 0.00 0.00 174.62 174.81 1nu0 s ALA 27 N -0.38 2.69 0.02 3.99 0.00 -1.26 -2.02 121.76 124.81 1nu0 s ALA 27 Ca 0.05 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1nu0 s ALA 27 Cb -0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1nu0 s ALA 27 CO 0.02 0.27 -0.18 0.50 0.00 0.00 0.00 175.76 176.38 1nu0 s ARG 28 N 0.25 1.27 0.29 0.00 3.52 0.38 -4.96 118.95 119.70 1nu0 s ARG 28 Ca -0.08 -0.79 -0.25 0.00 -0.13 0.00 0.00 55.73 54.49 1nu0 s ARG 28 Cb -0.15 -1.30 -0.09 0.00 -1.56 0.00 0.00 34.95 31.84 1nu0 s ARG 28 CO 0.05 0.34 0.88 -1.25 -0.81 0.00 0.00 175.30 174.51 1nu0 s PRO 29 N -0.92 4.51 0.37 5.12 0.04 -1.26 -0.84 135.00 142.02 1nu0 s PRO 29 Ca 0.06 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1nu0 s PRO 29 Cb -0.08 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 1nu0 s PRO 29 CO 0.01 0.33 0.16 -0.51 0.04 0.00 0.00 177.00 177.02 1nu0 s LEU 30 N -1.97 3.18 0.24 -3.56 1.43 -0.46 -4.92 118.68 112.62 1nu0 s LEU 30 Ca 0.48 -0.92 -0.31 0.00 -1.03 0.00 0.00 54.13 52.35 1nu0 s LEU 30 Cb -0.19 -1.60 -0.13 0.00 0.03 0.00 0.00 46.19 44.31 1nu0 s LEU 30 CO 0.23 -0.41 1.58 -2.65 0.23 0.00 0.00 176.35 175.33 1nu0 n PRO 31 N -1.19 2.47 -1.29 1.29 -0.02 -1.26 -4.43 135.00 130.56 1nu0 n PRO 31 Ca -0.02 0.88 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 1nu0 n PRO 31 Cb 0.63 -2.65 0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1nu0 n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nu0 s ALA 32 N 0.40 2.02 -0.16 3.55 0.00 -1.26 -4.64 121.76 121.67 1nu0 s ALA 32 Ca 0.70 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 1nu0 s ALA 32 Cb -0.57 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1nu0 s ALA 32 CO 0.43 -2.00 0.50 0.42 0.00 0.00 0.00 175.76 175.11 1nu0 s ILE 33 N -2.22 5.14 0.36 0.00 1.01 0.07 -4.91 121.20 120.64 1nu0 s ILE 33 Ca 0.71 0.95 -0.28 0.00 0.00 0.00 0.00 60.65 62.03 1nu0 s ILE 33 Cb -0.26 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 1nu0 s ILE 33 CO 0.48 0.24 1.34 -0.54 0.00 0.00 0.00 174.94 176.47 1nu0 s LYS 34 N 1.19 4.22 0.05 2.79 1.02 -1.26 -1.03 119.74 126.72 1nu0 s LYS 34 Ca 0.25 2.28 0.02 0.00 0.02 0.00 0.00 55.97 58.54 1nu0 s LYS 34 Cb -0.15 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1nu0 s LYS 34 CO 0.10 -0.32 -0.08 0.00 -0.92 0.00 0.00 175.35 174.13 1nu0 s ALA 35 N -1.16 0.62 -0.28 5.17 0.00 -0.69 -4.19 121.76 121.24 1nu0 s ALA 35 Ca 0.51 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1nu0 s ALA 35 Cb -0.41 0.04 0.07 0.00 0.00 0.00 0.00 23.12 22.82 1nu0 s ALA 35 CO 0.54 -0.02 -0.07 1.14 0.00 0.00 0.00 175.76 177.35 1nu0 s GLN 36 N -1.71 2.04 -1.38 0.00 -2.07 -0.22 -4.36 119.66 111.95 1nu0 s GLN 36 Ca -0.08 -1.44 -0.09 0.00 -1.82 0.00 0.00 55.36 51.92 1nu0 s GLN 36 Cb -0.09 -2.94 0.02 0.00 -1.09 0.00 0.00 33.01 28.92 1nu0 s GLN 36 CO 0.00 -0.65 1.13 -0.25 -1.32 0.00 0.00 175.29 174.20 1nu0 n ASP 37 N 4.41 -5.70 0.00 12.60 9.92 -0.68 -1.18 116.55 135.93 1nu0 n ASP 37 Ca -0.10 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 1nu0 n ASP 37 Cb 0.42 -4.80 0.00 0.00 -0.64 0.00 0.00 41.12 36.10 1nu0 n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nu0 n GLY 38 N -1.89 1.67 3.54 0.44 0.00 0.22 -4.97 105.19 104.21 1nu0 n GLY 38 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1nu0 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nu0 s THR 39 N -3.41 5.04 0.61 2.61 2.01 -0.32 -4.98 115.64 117.20 1nu0 s THR 39 Ca 0.00 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1nu0 s THR 39 Cb 0.00 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.60 1nu0 s THR 39 CO 0.00 -0.25 0.87 -2.16 -0.69 0.00 0.00 174.62 172.38 1nu0 s PRO 40 N 2.32 2.32 -0.48 4.92 0.04 -1.26 -1.06 135.00 141.80 1nu0 s PRO 40 Ca 0.17 -0.71 -0.27 0.00 0.04 0.00 0.00 61.00 60.24 1nu0 s PRO 40 Cb -0.16 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1nu0 s PRO 40 CO 0.13 -0.95 1.01 0.34 0.04 0.00 0.00 177.00 177.57 1nu0 s ASP 41 N -4.50 6.52 0.58 6.66 -1.08 -1.26 -4.89 116.67 118.70 1nu0 s ASP 41 Ca 0.59 0.18 0.28 0.00 -0.52 0.00 0.00 52.55 53.09 1nu0 s ASP 41 Cb -0.10 -2.49 1.74 0.00 -1.46 0.00 0.00 42.92 40.62 1nu0 s ASP 41 CO 0.41 -1.15 2.23 -0.50 0.52 0.00 0.00 175.17 176.67 1nu0 h TRP 42 N 9.18 0.00 0.00 -5.34 4.06 -1.98 -0.25 115.95 121.63 1nu0 h TRP 42 Ca -0.24 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 1nu0 h TRP 42 Cb 1.07 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.23 1nu0 h TRP 42 CO 0.92 0.01 -0.14 -0.91 -3.56 0.00 0.00 178.44 174.76 1nu0 h ASN 43 N 0.00 0.00 -0.14 -3.49 -0.26 -1.99 -0.99 115.58 108.70 1nu0 h ASN 43 Ca -0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 1nu0 h ASN 43 Cb 0.04 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1nu0 h ASN 43 CO 0.00 0.14 -0.72 0.40 -1.06 0.00 0.00 177.43 176.19 1nu0 h ILE 44 N 0.00 1.30 -0.42 2.81 2.04 -1.44 -1.14 117.51 120.66 1nu0 h ILE 44 Ca -0.00 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.92 1nu0 h ILE 44 Cb 0.36 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1nu0 h ILE 44 CO 0.02 0.61 0.27 0.40 0.00 0.00 0.00 178.15 179.45 1nu0 h ILE 45 N 0.43 1.12 -0.73 -0.67 1.08 -1.40 -1.59 117.51 115.75 1nu0 h ILE 45 Ca -0.05 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1nu0 h ILE 45 Cb 1.35 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 1nu0 h ILE 45 CO 0.15 0.12 0.47 -0.08 -0.69 0.00 0.00 178.15 178.12 1nu0 h GLU 46 N 0.56 0.97 -0.43 2.37 4.81 -1.11 -2.60 114.58 119.16 1nu0 h GLU 46 Ca 0.15 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1nu0 h GLU 46 Cb -0.04 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1nu0 h GLU 46 CO -0.03 0.66 0.26 -0.09 -0.73 0.00 0.00 179.01 179.08 1nu0 h ARG 47 N 0.99 0.52 -0.97 1.92 2.43 -0.90 -2.08 114.38 116.29 1nu0 h ARG 47 Ca 0.27 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1nu0 h ARG 47 Cb -0.09 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.29 1nu0 h ARG 47 CO -0.05 0.34 0.64 -0.07 -1.51 0.00 0.00 179.97 179.31 1nu0 h LEU 48 N 0.53 1.06 -1.36 3.80 3.38 -0.97 0.85 115.31 122.60 1nu0 h LEU 48 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1nu0 h LEU 48 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1nu0 h LEU 48 CO -0.06 0.73 0.27 -0.07 0.09 0.00 0.00 178.44 179.40 1nu0 h LEU 49 N 1.24 0.63 0.01 1.67 3.38 -1.09 -1.48 115.31 119.67 1nu0 h LEU 49 Ca 0.38 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 58.11 1nu0 h LEU 49 Cb -0.01 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.59 1nu0 h LEU 49 CO -0.12 0.51 -0.78 0.11 0.09 0.00 0.00 178.44 178.26 1nu0 h LYS 50 N 0.71 0.51 -0.42 1.13 1.57 -0.41 0.22 116.57 119.90 1nu0 h LYS 50 Ca 0.18 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1nu0 h LYS 50 Cb 0.03 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1nu0 h LYS 50 CO -0.03 1.19 0.18 0.93 -0.57 0.00 0.00 179.45 181.16 1nu0 h GLU 51 N 0.07 0.58 0.00 3.15 5.08 -0.78 -3.35 114.58 119.33 1nu0 h GLU 51 Ca -0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1nu0 h GLU 51 Cb 1.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1nu0 h GLU 51 CO 0.15 0.47 -1.27 0.91 -1.00 0.00 0.00 179.01 178.28 1nu0 n TRP 52 N -4.39 0.00 -4.17 4.33 7.02 -0.57 -5.04 117.44 114.62 1nu0 n TRP 52 Ca 0.03 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 1nu0 n TRP 52 Cb 0.13 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 28.81 1nu0 n TRP 52 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1nu0 n GLN 53 N -1.73 -0.50 -1.89 -0.99 6.02 0.78 -4.83 117.38 114.24 1nu0 n GLN 53 Ca -0.01 0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.65 1nu0 n GLN 53 Cb 0.23 -2.83 0.01 0.00 1.02 0.00 0.00 30.24 28.67 1nu0 n GLN 53 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nu0 s PRO 54 N -7.41 3.64 0.30 -1.09 0.04 -1.26 -4.55 135.00 124.67 1nu0 s PRO 54 Ca 0.29 2.26 0.13 0.00 0.04 0.00 0.00 61.00 63.72 1nu0 s PRO 54 Cb -0.16 -2.57 0.45 0.00 0.04 0.00 0.00 34.50 32.25 1nu0 s PRO 54 CO 0.97 -0.80 1.65 -0.44 0.04 0.00 0.00 177.00 178.42 1nu0 h ASP 55 N 2.20 0.00 -4.19 6.66 3.32 -0.76 -3.44 116.42 120.21 1nu0 h ASP 55 Ca -0.50 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.40 1nu0 h ASP 55 Cb 1.27 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.58 1nu0 h ASP 55 CO 0.61 0.55 -0.39 -1.61 -1.72 0.00 0.00 179.24 176.68 1nu0 s GLU 56 N -3.63 0.41 -0.15 3.56 2.02 -1.25 -5.07 118.70 114.59 1nu0 s GLU 56 Ca -0.01 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.17 1nu0 s GLU 56 Cb 0.12 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1nu0 s GLU 56 CO 0.74 -0.07 -0.19 0.42 0.02 0.00 0.00 175.26 176.18 1nu0 s ILE 57 N -0.32 2.28 -0.07 -1.63 1.01 -1.26 -4.54 121.20 116.66 1nu0 s ILE 57 Ca -0.04 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1nu0 s ILE 57 Cb -0.03 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1nu0 s ILE 57 CO 0.01 0.53 -0.24 -0.63 0.00 0.00 0.00 174.94 174.61 1nu0 s ILE 58 N 0.89 2.07 -0.09 2.92 1.01 -1.26 0.01 121.20 126.75 1nu0 s ILE 58 Ca -0.05 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.61 1nu0 s ILE 58 Cb -0.15 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 1nu0 s ILE 58 CO -0.03 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 174.55 1nu0 s VAL 59 N 0.03 2.06 0.26 2.92 1.01 0.20 -0.67 120.40 126.22 1nu0 s VAL 59 Ca -0.09 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1nu0 s VAL 59 Cb -0.15 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1nu0 s VAL 59 CO 0.06 0.56 1.30 -0.83 0.00 0.00 0.00 175.10 176.19 1nu0 s GLY 60 N 0.16 2.71 -0.28 4.51 0.00 -0.63 -1.00 107.32 112.79 1nu0 s GLY 60 Ca -0.13 1.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.74 1nu0 s GLY 60 CO 0.07 1.98 -0.03 -2.27 0.00 0.00 0.00 173.10 172.85 1nu0 s LEU 61 N -0.92 3.63 -1.12 0.66 2.96 0.33 -4.70 118.68 119.53 1nu0 s LEU 61 Ca 0.53 -1.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.22 1nu0 s LEU 61 Cb -0.38 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.56 1nu0 s LEU 61 CO 0.45 -0.21 2.34 -0.81 -1.32 0.00 0.00 176.35 176.80 1nu0 n PRO 62 N 4.63 2.53 -3.33 0.98 -0.04 -1.26 -1.32 135.00 137.19 1nu0 n PRO 62 Ca -0.14 -1.70 -0.31 0.00 -0.04 0.00 0.00 63.50 61.30 1nu0 n PRO 62 Cb 0.45 -2.58 -0.05 0.00 -0.04 0.00 0.00 33.50 31.27 1nu0 n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nu0 s LEU 63 N 0.20 4.12 0.00 1.53 1.43 -1.26 -2.09 118.68 122.60 1nu0 s LEU 63 Ca 0.49 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1nu0 s LEU 63 Cb 0.13 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1nu0 s LEU 63 CO -0.04 -0.13 0.00 0.59 0.23 0.00 0.00 176.35 177.01 1nu0 n ASN 64 N -0.34 0.00 0.00 2.29 5.03 0.62 -0.71 115.26 122.14 1nu0 n ASN 64 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1nu0 n ASN 64 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1nu0 n ASN 64 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1nu0 n ASP 66 N 0.00 0.00 0.00 6.41 5.75 -1.26 -4.16 116.55 123.28 1nu0 n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1nu0 n ASP 66 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1nu0 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nu0 n GLY 67 N 0.00 1.50 3.80 6.12 0.00 -1.26 -5.05 105.19 110.30 1nu0 n GLY 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1nu0 n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nu0 s THR 68 N -2.50 2.75 0.08 2.61 -4.23 -1.26 -4.94 115.64 108.15 1nu0 s THR 68 Ca 0.00 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 1nu0 s THR 68 Cb 0.00 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 1nu0 s THR 68 CO 0.00 -0.32 0.49 -1.61 -0.54 0.00 0.00 174.62 172.64 1nu0 s GLU 69 N -5.19 3.99 0.48 3.99 2.02 -1.26 -0.28 118.70 122.45 1nu0 s GLU 69 Ca 0.62 0.49 0.04 0.00 0.02 0.00 0.00 54.97 56.13 1nu0 s GLU 69 Cb -0.15 -3.10 0.02 0.00 0.10 0.00 0.00 34.13 31.00 1nu0 s GLU 69 CO 0.54 0.59 0.68 -0.65 0.02 0.00 0.00 175.26 176.44 1nu0 s GLN 70 N -1.49 2.73 0.60 1.61 -1.52 -0.89 -4.72 119.66 115.98 1nu0 s GLN 70 Ca 0.31 -0.92 -0.18 0.00 -1.95 0.00 0.00 55.36 52.63 1nu0 s GLN 70 Cb -0.16 -2.61 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 1nu0 s GLN 70 CO 0.17 -0.47 1.13 -2.14 -0.25 0.00 0.00 175.29 173.73 1nu0 s PRO 71 N -4.57 3.09 0.00 2.91 0.02 -1.26 -2.40 135.00 132.78 1nu0 s PRO 71 Ca 0.55 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1nu0 s PRO 71 Cb -0.10 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1nu0 s PRO 71 CO 0.36 -1.05 0.00 1.28 -0.33 0.00 0.00 177.00 177.26 1nu0 n LEU 72 N -1.79 0.00 0.11 -5.54 4.77 -1.26 -4.95 117.00 108.34 1nu0 n LEU 72 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1nu0 n LEU 72 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1nu0 n LEU 72 CO 0.45 0.00 0.81 0.74 -1.33 0.00 0.00 177.39 178.05 1nu0 h THR 73 N 0.00 0.80 -0.87 -5.08 2.02 -1.76 0.94 112.91 108.96 1nu0 h THR 73 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1nu0 h THR 73 Cb 0.00 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1nu0 h THR 73 CO 0.00 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.32 1nu0 h ALA 74 N 0.63 1.12 -0.09 6.16 0.00 -1.92 -0.87 119.26 124.29 1nu0 h ALA 74 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1nu0 h ALA 74 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nu0 h ALA 74 CO 0.01 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.49 1nu0 h ARG 75 N 1.24 0.21 -0.27 0.00 3.08 -1.93 0.73 114.38 117.43 1nu0 h ARG 75 Ca 0.30 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 60.07 1nu0 h ARG 75 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1nu0 h ARG 75 CO -0.04 0.61 -0.51 0.00 -1.07 0.00 0.00 179.97 178.96 1nu0 h ALA 76 N 1.38 0.43 -0.55 0.04 0.00 -0.39 -1.24 119.26 118.93 1nu0 h ALA 76 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1nu0 h ALA 76 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1nu0 h ALA 76 CO 0.07 0.62 0.36 -0.09 0.00 0.00 0.00 179.25 180.21 1nu0 h ARG 77 N 0.59 0.72 -0.69 0.00 2.43 -0.93 -1.53 114.38 114.98 1nu0 h ARG 77 Ca 0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1nu0 h ARG 77 Cb 1.12 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1nu0 h ARG 77 CO 0.11 0.48 0.21 0.87 -1.51 0.00 0.00 179.97 180.14 1nu0 h LYS 78 N 0.74 1.07 -0.22 0.20 1.57 -0.72 -0.35 116.57 118.86 1nu0 h LYS 78 Ca 0.20 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1nu0 h LYS 78 Cb -0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1nu0 h LYS 78 CO -0.05 0.92 0.04 0.35 -0.57 0.00 0.00 179.45 180.15 1nu0 h PHE 79 N 1.00 0.07 -0.60 -1.35 3.57 -1.00 0.60 116.94 119.24 1nu0 h PHE 79 Ca 0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1nu0 h PHE 79 Cb 0.30 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1nu0 h PHE 79 CO 0.02 0.02 0.39 0.00 -2.23 0.00 0.00 178.31 176.51 1nu0 h ALA 80 N 1.16 0.77 -0.70 2.41 0.00 -0.86 -1.21 119.26 120.83 1nu0 h ALA 80 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nu0 h ALA 80 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nu0 h ALA 80 CO -0.13 0.16 0.31 -0.91 0.00 0.00 0.00 179.25 178.68 1nu0 h ASN 81 N 0.78 0.91 0.18 0.00 2.35 -0.49 -2.33 115.58 116.98 1nu0 h ASN 81 Ca 0.23 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1nu0 h ASN 81 Cb -0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1nu0 h ASN 81 CO -0.07 0.79 -0.47 0.03 -1.65 0.00 0.00 177.43 176.06 1nu0 h ARG 82 N 0.99 0.34 -0.34 0.81 2.47 -0.52 0.45 114.38 118.58 1nu0 h ARG 82 Ca 0.24 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 1nu0 h ARG 82 Cb 0.14 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1nu0 h ARG 82 CO -0.03 0.75 0.10 0.82 0.56 0.00 0.00 179.97 182.17 1nu0 h ILE 83 N 0.28 1.21 -0.44 2.04 2.04 -0.98 -2.50 117.51 119.15 1nu0 h ILE 83 Ca 0.02 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1nu0 h ILE 83 Cb 0.94 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1nu0 h ILE 83 CO 0.08 0.24 0.20 -0.74 0.00 0.00 0.00 178.15 177.93 1nu0 h HIS 84 N 0.40 0.65 -0.21 1.37 2.76 -1.09 -0.93 115.15 118.10 1nu0 h HIS 84 Ca 0.11 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1nu0 h HIS 84 Cb 0.27 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1nu0 h HIS 84 CO 0.01 0.54 0.07 0.41 -1.30 0.00 0.00 177.93 177.65 1nu0 n GLY 85 N -0.85 2.21 1.10 5.26 0.00 0.16 -1.90 105.19 111.17 1nu0 n GLY 85 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1nu0 n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nu0 n ARG 86 N 0.13 0.00 -0.10 1.61 3.00 -0.96 -4.85 116.66 115.50 1nu0 n ARG 86 Ca 0.11 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.05 1nu0 n ARG 86 Cb 0.64 -0.28 0.13 0.00 0.00 0.00 0.00 32.46 32.95 1nu0 n ARG 86 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1nu0 n PHE 87 N -2.22 0.26 -2.21 -0.14 3.72 -0.37 -4.97 117.46 111.53 1nu0 n PHE 87 Ca 0.00 -0.18 -0.20 0.00 -0.05 0.00 0.00 57.45 57.02 1nu0 n PHE 87 Cb 0.08 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1nu0 n PHE 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nu0 n GLY 88 N 1.02 0.04 3.69 1.37 0.00 -0.80 -4.99 105.19 105.53 1nu0 n GLY 88 Ca 0.13 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1nu0 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu0 s VAL 89 N -2.94 3.92 0.17 1.61 0.11 -1.25 -5.07 120.40 116.95 1nu0 s VAL 89 Ca 0.00 -1.28 -0.30 0.00 -2.93 0.00 0.00 61.98 57.47 1nu0 s VAL 89 Cb 0.00 -2.96 -0.07 0.00 -1.53 0.00 0.00 36.38 31.82 1nu0 s VAL 89 CO 0.00 -0.07 0.98 -0.70 -3.33 0.00 0.00 175.10 171.98 1nu0 s GLU 90 N -2.87 4.74 -0.06 1.54 2.12 -1.26 -4.19 118.70 118.72 1nu0 s GLU 90 Ca 0.28 1.51 0.04 0.00 0.36 0.00 0.00 54.97 57.16 1nu0 s GLU 90 Cb -0.10 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1nu0 s GLU 90 CO 0.19 0.30 -0.18 0.08 -0.54 0.00 0.00 175.26 175.12 1nu0 s VAL 91 N -0.49 1.56 -0.13 3.70 1.01 -1.26 -4.18 120.40 120.60 1nu0 s VAL 91 Ca 0.45 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1nu0 s VAL 91 Cb -0.25 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1nu0 s VAL 91 CO 0.32 0.45 0.26 -0.54 0.00 0.00 0.00 175.10 175.58 1nu0 s LYS 92 N 0.27 4.03 -0.16 2.72 -0.14 0.10 -4.98 119.74 121.57 1nu0 s LYS 92 Ca -0.11 0.06 -0.14 0.00 -1.36 0.00 0.00 55.97 54.42 1nu0 s LYS 92 Cb -0.14 -3.34 -0.05 0.00 -1.68 0.00 0.00 37.83 32.62 1nu0 s LYS 92 CO 0.04 0.43 0.31 -0.51 -0.76 0.00 0.00 175.35 174.87 1nu0 s LEU 93 N -0.10 4.23 -0.37 3.17 1.43 -1.26 -0.63 118.68 125.15 1nu0 s LEU 93 Ca 0.16 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 1nu0 s LEU 93 Cb -0.13 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1nu0 s LEU 93 CO 0.05 0.07 0.22 -2.28 0.23 0.00 0.00 176.35 174.64 1nu0 s HIS 94 N 0.59 3.24 -0.17 0.29 5.65 -0.17 -4.91 115.29 119.80 1nu0 s HIS 94 Ca 0.17 -0.82 -0.29 0.00 0.25 0.00 0.00 55.06 54.38 1nu0 s HIS 94 Cb -0.13 -2.46 -0.03 0.00 -1.18 0.00 0.00 32.58 28.77 1nu0 s HIS 94 CO 0.05 -0.60 1.57 0.34 -0.65 0.00 0.00 174.74 175.45 1nu0 s ASP 95 N 1.59 6.53 0.00 9.88 -1.08 -1.26 -0.51 116.67 131.83 1nu0 s ASP 95 Ca 0.03 1.78 0.22 0.00 -0.52 0.00 0.00 52.55 54.07 1nu0 s ASP 95 Cb -0.19 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 39.71 1nu0 s ASP 95 CO 0.07 -1.10 1.72 -0.62 0.52 0.00 0.00 175.17 175.76 1nu0 n GLU 96 N 7.38 0.03 -4.15 4.34 1.02 -0.43 -4.93 120.64 123.89 1nu0 n GLU 96 Ca 0.18 0.11 -0.43 0.00 -0.02 0.00 0.00 57.16 57.00 1nu0 n GLU 96 Cb 0.45 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1nu0 n GLU 96 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nu0 n ARG 97 N -1.48 -0.41 -2.25 3.49 1.74 -0.98 -4.80 116.66 111.97 1nu0 n ARG 97 Ca 0.06 0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 1nu0 n ARG 97 Cb 0.26 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 1nu0 n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nu0 s LEU 98 N -7.48 3.76 -0.42 0.55 1.43 0.11 -4.87 118.68 111.76 1nu0 s LEU 98 Ca 0.36 2.19 -0.05 0.00 -1.03 0.00 0.00 54.13 55.61 1nu0 s LEU 98 Cb -0.20 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.32 1nu0 s LEU 98 CO 0.98 -1.22 2.43 -1.54 0.23 0.00 0.00 176.35 177.23 1nu0 n SER 99 N -1.27 4.32 -3.49 2.29 3.41 -1.26 -4.58 113.62 113.03 1nu0 n SER 99 Ca 0.11 -2.23 -0.10 0.00 -0.26 0.00 0.00 58.87 56.40 1nu0 n SER 99 Cb 0.51 -1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 1nu0 n SER 99 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nu0 s THR 100 N 2.29 0.00 -0.05 6.66 -1.32 -1.26 -5.03 115.64 116.92 1nu0 s THR 100 Ca 0.44 -0.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.90 1nu0 s THR 100 Cb 0.17 -1.12 0.11 0.00 -1.51 0.00 0.00 72.50 70.16 1nu0 s THR 100 CO -0.02 0.00 1.03 1.33 -2.21 0.00 0.00 174.62 174.76 1nu0 n VAL 101 N -0.34 1.26 -2.41 5.08 0.24 -1.26 -4.42 118.33 116.47 1nu0 n VAL 101 Ca -0.13 -1.41 -0.43 0.00 -2.04 0.00 0.00 64.34 60.34 1nu0 n VAL 101 Cb 0.63 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.21 1nu0 n VAL 101 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1nu0 s GLU 102 N -1.65 3.63 -0.75 7.34 2.56 -1.26 -5.03 118.70 123.54 1nu0 s GLU 102 Ca 0.13 0.88 -0.19 0.00 0.00 0.00 0.00 54.97 55.79 1nu0 s GLU 102 Cb 0.11 -3.99 0.12 0.00 2.00 0.00 0.00 34.13 32.37 1nu0 s GLU 102 CO 0.01 -1.49 0.91 0.00 -0.56 0.00 0.00 175.26 174.13 1nu0 s ALA 103 N 5.14 3.41 -0.72 6.30 0.00 -1.26 -4.91 121.76 129.73 1nu0 s ALA 103 Ca 0.58 -2.47 -0.08 0.00 0.00 0.00 0.00 51.96 50.00 1nu0 s ALA 103 Cb -0.12 -3.78 0.19 0.00 0.00 0.00 0.00 23.12 19.41 1nu0 s ALA 103 CO 0.32 -2.65 0.60 0.08 0.00 0.00 0.00 175.76 174.10 1nu0 s VAL 121 N 2.67 4.59 0.07 0.00 1.01 -1.26 -5.05 120.40 122.44 1nu0 s VAL 121 Ca 0.22 -2.77 -0.08 0.00 0.00 0.00 0.00 61.98 59.35 1nu0 s VAL 121 Cb -0.14 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 1nu0 s VAL 121 CO -0.00 -0.95 0.17 -0.62 0.00 0.00 0.00 175.10 173.69 1nu0 s ASP 122 N 1.32 0.13 -0.22 3.32 -1.08 -1.26 -4.85 116.67 114.03 1nu0 s ASP 122 Ca 0.18 -0.60 0.15 0.00 -0.52 0.00 0.00 52.55 51.75 1nu0 s ASP 122 Cb -0.15 0.31 0.64 0.00 -1.46 0.00 0.00 42.92 42.25 1nu0 s ASP 122 CO -0.06 -0.66 1.56 -1.20 0.52 0.00 0.00 175.17 175.33 1nu0 n SER 123 N 0.19 4.41 -0.16 -0.34 7.64 -1.26 -4.44 113.62 119.66 1nu0 n SER 123 Ca -0.16 -3.08 -0.03 0.00 1.01 0.00 0.00 58.87 56.61 1nu0 n SER 123 Cb 0.61 -0.62 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 1nu0 n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nu0 h ALA 124 N 2.44 1.22 -0.02 -0.43 0.00 -1.94 -2.30 119.26 118.23 1nu0 h ALA 124 Ca 0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1nu0 h ALA 124 Cb 1.72 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1nu0 h ALA 124 CO 0.38 0.55 -0.69 0.77 0.00 0.00 0.00 179.25 180.26 1nu0 h SER 125 N 0.87 0.10 -0.30 0.00 0.02 -1.99 -2.41 113.55 109.85 1nu0 h SER 125 Ca 0.20 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1nu0 h SER 125 Cb 0.24 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1nu0 h SER 125 CO -0.01 0.76 0.03 0.00 -1.14 0.00 0.00 176.83 176.47 1nu0 h ALA 126 N 1.24 1.33 -0.33 3.77 0.00 -1.76 0.51 119.26 124.03 1nu0 h ALA 126 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nu0 h ALA 126 Cb 1.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1nu0 h ALA 126 CO 0.10 0.46 0.11 0.28 0.00 0.00 0.00 179.25 180.20 1nu0 h VAL 127 N 0.58 1.20 -0.38 0.00 2.07 -1.06 -0.85 116.25 117.81 1nu0 h VAL 127 Ca 0.13 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1nu0 h VAL 127 Cb 0.32 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1nu0 h VAL 127 CO 0.01 0.22 0.14 0.40 0.02 0.00 0.00 177.57 178.36 1nu0 h ILE 128 N 0.38 0.90 -0.41 4.57 2.04 -0.95 0.14 117.51 124.17 1nu0 h ILE 128 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1nu0 h ILE 128 Cb 0.23 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1nu0 h ILE 128 CO -0.01 0.06 0.21 0.40 0.00 0.00 0.00 178.15 178.81 1nu0 h ILE 129 N 0.30 1.16 -0.72 -0.67 2.04 -0.76 -1.45 117.51 117.42 1nu0 h ILE 129 Ca 0.17 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1nu0 h ILE 129 Cb 0.14 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1nu0 h ILE 129 CO -0.17 0.18 0.19 0.25 0.00 0.00 0.00 178.15 178.59 1nu0 h LEU 130 N 0.52 1.08 -0.91 1.44 5.85 -0.51 -0.64 115.31 122.14 1nu0 h LEU 130 Ca 0.14 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1nu0 h LEU 130 Cb 0.09 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1nu0 h LEU 130 CO -0.02 1.03 0.11 -0.08 -0.34 0.00 0.00 178.44 179.13 1nu0 h GLU 131 N 1.08 0.91 -0.46 1.25 4.81 -0.49 -2.64 114.58 119.05 1nu0 h GLU 131 Ca 0.23 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1nu0 h GLU 131 Cb 0.36 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1nu0 h GLU 131 CO 0.00 0.84 0.13 1.03 -0.73 0.00 0.00 179.01 180.28 1nu0 h SER 132 N 0.87 0.68 0.00 1.04 0.87 -0.84 -0.43 113.55 115.74 1nu0 h SER 132 Ca 0.18 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1nu0 h SER 132 Cb 0.36 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1nu0 h SER 132 CO 0.01 0.72 0.00 0.00 -0.53 0.00 0.00 176.83 177.02 1nu0 n TYR 133 N -4.53 0.00 0.00 2.24 4.19 -0.29 -1.11 117.16 117.67 1nu0 n TYR 133 Ca 0.01 -0.04 0.00 0.00 3.31 0.00 0.00 57.90 61.17 1nu0 n TYR 133 Cb 0.20 -0.09 0.00 0.00 0.49 0.00 0.00 39.34 39.94 1nu0 n TYR 133 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1nu0 n GLU 135 N 0.80 0.00 0.01 2.98 4.07 -0.17 -0.49 120.64 127.83 1nu0 n GLU 135 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 1nu0 n GLU 135 Cb 0.05 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.33 1nu0 n GLU 135 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1nu0 n GLN 136 N 0.00 0.63 -0.28 5.31 6.02 -0.27 -4.98 117.38 123.81 1nu0 n GLN 136 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1nu0 n GLN 136 Cb 0.00 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.48 1nu0 n GLN 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nu0 n GLY 137 N 1.46 0.70 0.00 1.08 0.00 0.35 -5.23 105.19 103.55 1nu0 n GLY 137 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1nu0 n GLY 137 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90