#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 1.16 3.72 5.00 0.00 -1.26 -4.75 105.19 109.07 1nu0 n GLY 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.23 4.28 0.00 2.61 2.01 -1.26 -0.48 115.64 119.58 1nu0 s THR 4 Ca 0.00 1.77 0.00 0.00 0.31 0.00 0.00 61.69 63.77 1nu0 s THR 4 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1nu0 s THR 4 CO 0.00 0.21 0.00 0.18 -0.69 0.00 0.00 174.62 174.32 1nu0 n LEU 5 N 3.25 0.00 -3.60 4.42 4.77 -0.11 0.10 117.00 125.83 1nu0 n LEU 5 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1nu0 n LEU 5 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1nu0 n LEU 5 CO 0.53 0.00 0.81 0.00 -1.33 0.00 0.00 177.39 177.40 1nu0 s ALA 7 N -2.00 -1.97 -0.01 -1.18 0.00 -0.22 -0.51 121.76 115.87 1nu0 s ALA 7 Ca 0.00 1.69 0.07 0.00 0.00 0.00 0.00 51.96 53.72 1nu0 s ALA 7 Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1nu0 s ALA 7 CO 0.00 -0.27 -0.22 -0.06 0.00 0.00 0.00 175.76 175.20 1nu0 s PHE 8 N -0.70 1.98 -0.40 0.00 0.08 0.47 -1.38 117.98 118.04 1nu0 s PHE 8 Ca 0.01 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.63 1nu0 s PHE 8 Cb -0.02 -1.26 0.10 0.00 -0.57 0.00 0.00 43.02 41.26 1nu0 s PHE 8 CO -0.02 -0.02 0.20 0.34 -0.10 0.00 0.00 175.22 175.62 1nu0 s ASP 9 N -0.59 5.34 0.28 1.36 2.15 -0.10 -2.05 116.67 123.06 1nu0 s ASP 9 Ca 0.09 -1.80 -0.29 0.00 0.43 0.00 0.00 52.55 50.98 1nu0 s ASP 9 Cb -0.09 -1.87 -0.10 0.00 -0.30 0.00 0.00 42.92 40.57 1nu0 s ASP 9 CO -0.01 -0.52 1.35 0.12 -0.17 0.00 0.00 175.17 175.95 1nu0 s PHE 10 N 1.24 3.08 0.15 -5.34 5.36 -1.26 -0.93 117.98 120.28 1nu0 s PHE 10 Ca 0.05 1.25 -0.11 0.00 -0.96 0.00 0.00 56.93 57.15 1nu0 s PHE 10 Cb -0.23 -3.71 0.01 0.00 -0.34 0.00 0.00 43.02 38.75 1nu0 s PHE 10 CO -0.02 -2.13 0.32 0.20 -1.46 0.00 0.00 175.22 172.14 1nu0 s GLY 11 N -0.04 0.18 0.18 13.12 0.00 -0.98 -4.93 107.32 114.85 1nu0 s GLY 11 Ca 0.54 -0.59 0.09 0.00 0.00 0.00 0.00 44.72 44.76 1nu0 s GLY 11 CO 0.47 -0.65 1.39 -0.91 0.00 0.00 0.00 173.10 173.40 1nu0 h THR 12 N 2.50 1.56 0.00 0.90 1.35 -1.93 -3.34 112.91 113.95 1nu0 h THR 12 Ca -0.32 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 1nu0 h THR 12 Cb 1.23 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1nu0 h THR 12 CO 0.48 0.83 -0.77 0.29 -0.25 0.00 0.00 175.52 176.10 1nu0 n LYS 13 N -3.46 2.52 -3.64 4.72 5.02 -1.26 -0.75 118.16 121.30 1nu0 n LYS 13 Ca -0.00 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1nu0 n LYS 13 Cb 0.83 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.66 1nu0 n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nu0 s SER 14 N -2.39 -0.73 -0.20 4.39 0.15 -1.25 -1.31 113.70 112.36 1nu0 s SER 14 Ca 0.03 1.40 0.02 0.00 0.70 0.00 0.00 55.95 58.09 1nu0 s SER 14 Cb 0.09 1.42 0.03 0.00 -1.71 0.00 0.00 66.02 65.85 1nu0 s SER 14 CO 0.49 -0.25 -0.17 -0.63 1.20 0.00 0.00 173.24 173.88 1nu0 s ILE 15 N 0.36 2.08 0.60 6.45 1.01 0.76 -2.32 121.20 130.14 1nu0 s ILE 15 Ca -0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 60.65 59.35 1nu0 s ILE 15 Cb -0.05 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1nu0 s ILE 15 CO 0.01 0.36 1.07 -0.83 0.00 0.00 0.00 174.94 175.55 1nu0 s GLY 16 N 1.24 2.15 -0.02 6.18 0.00 -0.11 -0.48 107.32 116.28 1nu0 s GLY 16 Ca 0.01 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.18 1nu0 s GLY 16 CO -0.10 0.77 -0.04 0.14 0.00 0.00 0.00 173.10 173.86 1nu0 s VAL 17 N -2.40 0.41 0.05 1.40 1.01 -1.26 -0.92 120.40 118.68 1nu0 s VAL 17 Ca 0.65 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1nu0 s VAL 17 Cb -0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1nu0 s VAL 17 CO 0.37 0.16 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1nu0 s ALA 18 N 0.46 0.48 0.01 5.51 0.00 -0.48 -1.26 121.76 126.48 1nu0 s ALA 18 Ca -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1nu0 s ALA 18 Cb -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1nu0 s ALA 18 CO -0.00 -0.17 -0.18 0.54 0.00 0.00 0.00 175.76 175.95 1nu0 s VAL 19 N -2.27 1.42 0.15 0.00 0.11 -0.39 -1.05 120.40 118.37 1nu0 s VAL 19 Ca -0.05 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1nu0 s VAL 19 Cb -0.04 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1nu0 s VAL 19 CO -0.03 0.27 -0.01 -0.83 -3.33 0.00 0.00 175.10 171.17 1nu0 s GLY 20 N -0.75 1.08 -0.08 6.54 0.00 0.34 -0.93 107.32 113.52 1nu0 s GLY 20 Ca 0.06 -1.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.25 1nu0 s GLY 20 CO 0.00 -1.50 -0.02 1.20 0.00 0.00 0.00 173.10 172.79 1nu0 s GLN 21 N -3.90 0.78 0.39 2.90 -1.52 0.08 -0.93 119.66 117.47 1nu0 s GLN 21 Ca 0.21 0.03 0.13 0.00 -1.95 0.00 0.00 55.36 53.77 1nu0 s GLN 21 Cb 0.06 -1.07 0.81 0.00 -0.22 0.00 0.00 33.01 32.59 1nu0 s GLN 21 CO 0.01 -0.28 1.89 0.00 -0.25 0.00 0.00 175.29 176.66 1nu0 h ARG 22 N 8.22 0.04 -0.96 2.91 3.08 -1.07 0.14 114.38 126.74 1nu0 h ARG 22 Ca -0.23 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.85 1nu0 h ARG 22 Cb 1.13 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 1nu0 h ARG 22 CO 0.30 0.32 0.63 0.82 -1.07 0.00 0.00 179.97 180.97 1nu0 h ILE 23 N 0.04 1.16 0.00 2.04 2.04 -1.85 -2.57 117.51 118.37 1nu0 h ILE 23 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1nu0 h ILE 23 Cb 0.52 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1nu0 h ILE 23 CO 0.04 0.22 -1.36 0.35 0.00 0.00 0.00 178.15 177.40 1nu0 n THR 24 N -4.47 0.00 -1.08 -0.27 -2.24 -1.14 -4.99 114.28 100.08 1nu0 n THR 24 Ca 0.13 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1nu0 n THR 24 Cb 0.09 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.41 0.61 3.54 3.38 0.00 0.46 -5.03 105.19 109.57 1nu0 n GLY 25 Ca 0.01 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.10 1.97 0.04 2.61 -4.23 -1.11 -4.96 115.64 107.87 1nu0 s THR 26 Ca 0.00 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 1nu0 s THR 26 Cb 0.00 -2.75 -0.00 0.00 1.34 0.00 0.00 72.50 71.09 1nu0 s THR 26 CO 0.00 -0.13 0.15 0.00 -0.54 0.00 0.00 174.62 174.10 1nu0 s ALA 27 N -2.77 -0.21 0.08 3.99 0.00 -1.26 -0.74 121.76 120.85 1nu0 s ALA 27 Ca 0.33 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1nu0 s ALA 27 Cb 0.06 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1nu0 s ALA 27 CO 0.16 -0.35 0.31 -0.98 0.00 0.00 0.00 175.76 174.90 1nu0 s ARG 28 N -2.70 0.90 0.29 0.00 1.70 -0.10 -4.99 118.95 114.04 1nu0 s ARG 28 Ca -0.04 -0.65 -0.25 0.00 -0.47 0.00 0.00 55.73 54.32 1nu0 s ARG 28 Cb -0.00 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 1nu0 s ARG 28 CO -0.05 -0.31 0.88 -1.25 -1.08 0.00 0.00 175.30 173.49 1nu0 s PRO 29 N -3.18 4.51 0.39 3.89 0.04 -1.26 -1.26 135.00 138.13 1nu0 s PRO 29 Ca -0.01 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.32 1nu0 s PRO 29 Cb 0.01 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1nu0 s PRO 29 CO -0.07 0.33 0.24 -0.51 0.04 0.00 0.00 177.00 177.03 1nu0 s LEU 30 N -1.97 3.27 0.31 -3.56 1.43 -0.39 -4.90 118.68 112.87 1nu0 s LEU 30 Ca 0.48 -0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1nu0 s LEU 30 Cb -0.18 -1.76 -0.11 0.00 0.03 0.00 0.00 46.19 44.16 1nu0 s LEU 30 CO 0.23 -0.51 1.55 -2.84 0.23 0.00 0.00 176.35 175.01 1nu0 s PRO 31 N -3.97 4.14 0.88 1.29 0.02 -1.26 -4.38 135.00 131.72 1nu0 s PRO 31 Ca 0.43 2.54 -0.10 0.00 0.02 0.00 0.00 61.00 63.88 1nu0 s PRO 31 Cb -0.01 -3.02 0.12 0.00 0.02 0.00 0.00 34.50 31.61 1nu0 s PRO 31 CO 0.25 -0.58 1.14 0.00 -0.33 0.00 0.00 177.00 177.47 1nu0 s ALA 32 N -0.26 1.67 -0.21 -1.55 0.00 -0.20 -4.54 121.76 116.67 1nu0 s ALA 32 Ca 0.60 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 1nu0 s ALA 32 Cb -0.47 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1nu0 s ALA 32 CO 0.51 -2.52 0.04 0.42 0.00 0.00 0.00 175.76 174.21 1nu0 s ILE 33 N -2.68 4.27 0.49 0.00 1.01 0.37 -4.92 121.20 119.75 1nu0 s ILE 33 Ca 0.66 -0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 1nu0 s ILE 33 Cb -0.22 -2.95 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 1nu0 s ILE 33 CO 0.57 0.41 1.18 -0.54 0.00 0.00 0.00 174.94 176.56 1nu0 s LYS 34 N 1.03 3.56 0.08 2.79 1.02 -1.26 -0.17 119.74 126.78 1nu0 s LYS 34 Ca 0.03 1.79 0.05 0.00 0.02 0.00 0.00 55.97 57.87 1nu0 s LYS 34 Cb -0.14 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1nu0 s LYS 34 CO 0.02 -0.72 -0.15 0.00 -0.92 0.00 0.00 175.35 173.58 1nu0 s ALA 35 N -1.57 1.24 -0.40 5.17 0.00 -0.43 -4.27 121.76 121.50 1nu0 s ALA 35 Ca 0.67 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1nu0 s ALA 35 Cb -0.29 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 22.82 1nu0 s ALA 35 CO 0.34 0.18 0.20 -1.14 0.00 0.00 0.00 175.76 175.35 1nu0 s GLN 36 N -1.78 2.24 -1.48 0.00 2.00 0.92 -4.28 119.66 117.28 1nu0 s GLN 36 Ca -0.01 -1.66 -0.04 0.00 -2.00 0.00 0.00 55.36 51.65 1nu0 s GLN 36 Cb -0.10 -3.60 0.03 0.00 0.80 0.00 0.00 33.01 30.14 1nu0 s GLN 36 CO 0.02 -1.00 0.44 -3.47 -0.50 0.00 0.00 175.29 170.79 1nu0 n ASP 37 N 4.70 -0.76 0.00 6.67 -0.08 -1.04 -0.88 116.55 125.16 1nu0 n ASP 37 Ca -0.06 -1.04 0.00 0.00 -1.51 0.00 0.00 54.79 52.18 1nu0 n ASP 37 Cb 0.42 -2.84 0.00 0.00 2.34 0.00 0.00 41.12 41.04 1nu0 n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nu0 n GLY 38 N -1.94 1.71 3.63 0.27 0.00 0.07 -4.98 105.19 103.95 1nu0 n GLY 38 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.76 5.25 0.61 2.61 2.01 -0.06 -4.97 115.64 118.34 1nu0 s THR 39 Ca 0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1nu0 s THR 39 Cb 0.00 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.95 1nu0 s THR 39 CO 0.00 0.25 0.86 -2.16 -0.69 0.00 0.00 174.62 172.87 1nu0 s PRO 40 N 1.56 2.27 -0.61 4.92 0.04 -1.26 -0.05 135.00 141.87 1nu0 s PRO 40 Ca 0.13 -0.84 -0.28 0.00 0.04 0.00 0.00 61.00 60.05 1nu0 s PRO 40 Cb -0.15 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1nu0 s PRO 40 CO 0.08 -0.97 1.25 0.34 0.04 0.00 0.00 177.00 177.75 1nu0 s ASP 41 N -4.52 6.33 0.64 6.66 -1.08 -1.26 -4.89 116.67 118.55 1nu0 s ASP 41 Ca 0.60 0.04 0.41 0.00 -0.52 0.00 0.00 52.55 53.08 1nu0 s ASP 41 Cb -0.09 -2.55 2.22 0.00 -1.46 0.00 0.00 42.92 41.03 1nu0 s ASP 41 CO 0.41 -1.59 2.31 -0.50 0.52 0.00 0.00 175.17 176.31 1nu0 h TRP 42 N 9.94 0.00 0.00 -5.34 4.06 -1.98 -1.36 115.95 121.27 1nu0 h TRP 42 Ca -0.26 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.65 1nu0 h TRP 42 Cb 1.06 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1nu0 h TRP 42 CO 1.05 0.01 -0.19 -0.91 -3.56 0.00 0.00 178.44 174.84 1nu0 h ASN 43 N 0.00 0.00 -0.24 -3.49 2.35 -1.99 -0.28 115.58 111.93 1nu0 h ASN 43 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1nu0 h ASN 43 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1nu0 h ASN 43 CO 0.00 0.19 -0.03 0.40 -1.65 0.00 0.00 177.43 176.34 1nu0 h ILE 44 N 0.00 1.27 -0.64 2.81 2.04 -1.65 -1.04 117.51 120.29 1nu0 h ILE 44 Ca -0.00 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 1nu0 h ILE 44 Cb 0.47 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1nu0 h ILE 44 CO 0.03 0.31 0.13 0.40 0.00 0.00 0.00 178.15 179.01 1nu0 h ILE 45 N 0.20 1.26 -0.56 -0.67 2.04 -1.46 -1.36 117.51 116.96 1nu0 h ILE 45 Ca 0.06 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.01 1nu0 h ILE 45 Cb 0.48 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1nu0 h ILE 45 CO 0.02 0.37 0.23 -0.08 0.00 0.00 0.00 178.15 178.69 1nu0 h GLU 46 N 0.96 0.43 -0.20 2.37 4.81 -0.98 -0.23 114.58 121.74 1nu0 h GLU 46 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1nu0 h GLU 46 Cb 0.40 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1nu0 h GLU 46 CO 0.01 0.28 0.10 -0.09 -0.73 0.00 0.00 179.01 178.58 1nu0 h ARG 47 N 0.44 0.29 -0.76 1.92 2.43 -0.94 -1.50 114.38 116.26 1nu0 h ARG 47 Ca 0.27 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1nu0 h ARG 47 Cb 0.26 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1nu0 h ARG 47 CO -0.24 0.30 0.46 -0.07 -1.51 0.00 0.00 179.97 178.91 1nu0 h LEU 48 N 0.21 0.73 -0.59 3.80 4.07 -0.79 -0.96 115.31 121.78 1nu0 h LEU 48 Ca 0.07 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.90 1nu0 h LEU 48 Cb 0.10 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1nu0 h LEU 48 CO -0.01 0.48 -0.43 -0.07 -1.08 0.00 0.00 178.44 177.33 1nu0 h LEU 49 N 0.86 0.68 -0.58 1.67 3.38 -0.85 -0.55 115.31 119.93 1nu0 h LEU 49 Ca 0.32 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1nu0 h LEU 49 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nu0 h LEU 49 CO -0.15 1.02 -0.38 0.50 0.09 0.00 0.00 178.44 179.53 1nu0 h LYS 50 N 0.52 0.71 0.21 1.13 1.63 -0.96 -0.22 116.57 119.60 1nu0 h LYS 50 Ca 0.04 -0.36 -0.33 0.00 -0.85 0.00 0.00 60.65 59.15 1nu0 h LYS 50 Cb 0.96 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.63 1nu0 h LYS 50 CO 0.09 0.97 -1.41 1.05 -3.45 0.00 0.00 179.45 176.70 1nu0 h GLU 51 N 0.59 0.58 0.00 1.90 4.11 -1.08 -3.35 114.58 117.33 1nu0 h GLU 51 Ca 0.05 -0.91 0.00 0.00 0.07 0.00 0.00 59.36 58.58 1nu0 h GLU 51 Cb 0.91 0.33 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1nu0 h GLU 51 CO 0.08 1.43 -0.90 -1.49 0.07 0.00 0.00 179.01 178.20 1nu0 h TRP 52 N 0.20 0.00 -6.82 2.06 4.06 -1.17 -3.49 115.95 110.79 1nu0 h TRP 52 Ca -0.24 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.15 1nu0 h TRP 52 Cb 2.09 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 30.18 1nu0 h TRP 52 CO 0.12 0.00 -0.97 1.04 -3.56 0.00 0.00 178.44 175.08 1nu0 n GLN 53 N -2.59 -1.14 -1.76 0.49 1.13 -0.09 -4.87 117.38 108.54 1nu0 n GLN 53 Ca 0.01 0.18 -0.37 0.00 -1.94 0.00 0.00 57.00 54.88 1nu0 n GLN 53 Cb 0.53 -3.43 0.07 0.00 0.11 0.00 0.00 30.24 27.51 1nu0 n GLN 53 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nu0 s PRO 54 N -7.09 2.58 0.23 -1.09 0.04 -1.26 -4.82 135.00 123.59 1nu0 s PRO 54 Ca 0.24 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1nu0 s PRO 54 Cb -0.12 -1.85 0.23 0.00 0.04 0.00 0.00 34.50 32.80 1nu0 s PRO 54 CO 0.95 -1.57 1.57 -0.44 0.04 0.00 0.00 177.00 177.55 1nu0 h ASP 55 N 0.55 0.46 -5.00 6.66 3.32 -0.68 -3.46 116.42 118.28 1nu0 h ASP 55 Ca -0.51 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.34 1nu0 h ASP 55 Cb 1.33 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 1nu0 h ASP 55 CO 0.53 0.89 0.24 -1.83 -1.72 0.00 0.00 179.24 177.35 1nu0 s GLU 56 N -4.02 1.46 -0.05 3.56 -1.05 -1.26 -4.53 118.70 112.80 1nu0 s GLU 56 Ca -0.06 -0.67 0.04 0.00 -0.15 0.00 0.00 54.97 54.13 1nu0 s GLU 56 Cb 0.12 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.37 1nu0 s GLU 56 CO 0.81 -0.65 -0.16 0.42 0.95 0.00 0.00 175.26 176.63 1nu0 s ILE 57 N -3.78 2.92 -0.13 1.83 1.01 -0.13 -4.62 121.20 118.30 1nu0 s ILE 57 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1nu0 s ILE 57 Cb -0.03 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1nu0 s ILE 57 CO -0.05 0.58 -0.14 -0.63 0.00 0.00 0.00 174.94 174.71 1nu0 s ILE 58 N -0.61 2.97 -0.09 2.92 1.09 -1.26 -0.48 121.20 125.74 1nu0 s ILE 58 Ca 0.09 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 58.97 1nu0 s ILE 58 Cb -0.11 -2.24 -0.02 0.00 -1.06 0.00 0.00 42.46 39.03 1nu0 s ILE 58 CO 0.01 0.52 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.52 1nu0 s VAL 59 N 0.39 2.80 0.40 2.92 1.01 -0.09 -0.39 120.40 127.43 1nu0 s VAL 59 Ca -0.11 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 1nu0 s VAL 59 Cb -0.16 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1nu0 s VAL 59 CO 0.06 0.55 1.20 -0.83 0.00 0.00 0.00 175.10 176.08 1nu0 s GLY 60 N -0.03 2.89 -0.43 4.51 0.00 -0.87 -1.63 107.32 111.76 1nu0 s GLY 60 Ca -0.04 1.03 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 1nu0 s GLY 60 CO 0.04 1.56 0.29 -2.27 0.00 0.00 0.00 173.10 172.73 1nu0 s LEU 61 N -2.44 5.25 0.23 0.66 2.96 0.54 -4.71 118.68 121.18 1nu0 s LEU 61 Ca 0.56 -1.42 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 1nu0 s LEU 61 Cb -0.32 -2.04 -0.09 0.00 0.50 0.00 0.00 46.19 44.23 1nu0 s LEU 61 CO 0.41 -0.56 1.23 -2.16 -1.32 0.00 0.00 176.35 173.96 1nu0 s PRO 62 N 1.49 4.46 0.08 0.98 0.04 -1.26 -0.54 135.00 140.25 1nu0 s PRO 62 Ca 0.03 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1nu0 s PRO 62 Cb -0.23 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1nu0 s PRO 62 CO 0.04 -0.10 0.05 -0.51 0.04 0.00 0.00 177.00 176.52 1nu0 s LEU 63 N -0.72 2.05 0.00 -3.56 1.43 -0.36 -4.37 118.68 113.15 1nu0 s LEU 63 Ca 0.52 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1nu0 s LEU 63 Cb -0.35 0.46 0.00 0.00 0.03 0.00 0.00 46.19 46.33 1nu0 s LEU 63 CO 0.41 -0.66 0.00 0.59 0.23 0.00 0.00 176.35 176.92 1nu0 n ASN 64 N 0.02 0.00 0.00 2.29 3.02 -0.25 -1.56 115.26 118.79 1nu0 n ASN 64 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1nu0 n ASN 64 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1nu0 n ASN 64 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1nu0 n ASP 66 N 0.00 0.00 0.00 6.41 5.68 -1.26 -4.08 116.55 123.30 1nu0 n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1nu0 n ASP 66 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1nu0 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nu0 n GLY 67 N 0.00 0.86 3.86 6.12 0.00 -1.26 -5.06 105.19 109.71 1nu0 n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 4.64 0.74 2.61 -4.23 -1.26 -4.97 115.64 110.61 1nu0 s THR 68 Ca 0.00 1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.40 1nu0 s THR 68 Cb 0.00 -3.79 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1nu0 s THR 68 CO 0.00 -0.86 1.08 -1.61 -0.54 0.00 0.00 174.62 172.69 1nu0 s GLU 69 N -4.51 2.53 0.36 3.99 2.02 -1.26 -1.09 118.70 120.74 1nu0 s GLU 69 Ca 0.56 0.75 0.04 0.00 0.02 0.00 0.00 54.97 56.34 1nu0 s GLU 69 Cb -0.10 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1nu0 s GLU 69 CO 0.41 -1.34 0.13 1.14 0.02 0.00 0.00 175.26 175.62 1nu0 s GLN 70 N -5.13 1.78 0.27 1.61 -2.07 -1.26 -4.75 119.66 110.10 1nu0 s GLN 70 Ca 0.59 -2.05 -0.00 0.00 -1.82 0.00 0.00 55.36 52.08 1nu0 s GLN 70 Cb -0.14 -0.47 0.54 0.00 -1.09 0.00 0.00 33.01 31.86 1nu0 s GLN 70 CO 0.54 -0.43 1.77 -1.35 -1.32 0.00 0.00 175.29 174.51 1nu0 h PRO 71 N 1.98 0.65 0.00 9.60 0.11 -1.98 -1.43 132.00 140.94 1nu0 h PRO 71 Ca -0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1nu0 h PRO 71 Cb 1.26 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nu0 h PRO 71 CO 0.57 0.43 -0.07 1.25 -0.21 0.00 0.00 178.00 179.97 1nu0 h LEU 72 N 0.67 0.00 -0.38 2.35 5.85 -1.96 -3.14 115.31 118.71 1nu0 h LEU 72 Ca 0.47 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.21 1nu0 h LEU 72 Cb 0.65 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1nu0 h LEU 72 CO -0.35 0.07 0.21 0.74 -0.34 0.00 0.00 178.44 178.77 1nu0 h THR 73 N 0.00 1.02 -0.73 1.05 2.02 -1.45 -0.46 112.91 114.35 1nu0 h THR 73 Ca -0.00 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1nu0 h THR 73 Cb 0.22 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1nu0 h THR 73 CO 0.01 0.08 0.33 0.00 0.37 0.00 0.00 175.52 176.30 1nu0 h ALA 74 N 1.18 1.19 -0.22 6.16 0.00 -1.69 -1.80 119.26 124.08 1nu0 h ALA 74 Ca 0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1nu0 h ALA 74 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1nu0 h ALA 74 CO -0.08 0.60 -0.42 0.00 0.00 0.00 0.00 179.25 179.35 1nu0 h ARG 75 N 1.05 0.53 -0.59 0.00 3.08 -1.51 -1.98 114.38 114.96 1nu0 h ARG 75 Ca 0.25 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1nu0 h ARG 75 Cb 0.15 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1nu0 h ARG 75 CO -0.03 0.86 0.04 0.00 -1.07 0.00 0.00 179.97 179.77 1nu0 h ALA 76 N 1.11 0.96 -0.62 0.04 0.00 -0.73 -1.03 119.26 118.98 1nu0 h ALA 76 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1nu0 h ALA 76 Cb 0.92 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1nu0 h ALA 76 CO 0.08 0.64 0.28 0.00 0.00 0.00 0.00 179.25 180.25 1nu0 h ARG 77 N 0.92 0.89 -0.82 0.00 3.08 -1.12 -0.67 114.38 116.67 1nu0 h ARG 77 Ca 0.18 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1nu0 h ARG 77 Cb 0.48 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1nu0 h ARG 77 CO 0.02 0.73 0.51 0.87 -1.07 0.00 0.00 179.97 181.03 1nu0 h LYS 78 N 0.85 1.11 -0.23 0.04 1.57 -1.02 -0.67 116.57 118.22 1nu0 h LYS 78 Ca 0.21 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nu0 h LYS 78 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nu0 h LYS 78 CO -0.02 0.77 0.13 0.35 -0.57 0.00 0.00 179.45 180.11 1nu0 h PHE 79 N 1.13 0.31 -0.65 -1.35 3.57 -0.74 0.75 116.94 119.95 1nu0 h PHE 79 Ca 0.30 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1nu0 h PHE 79 Cb -0.07 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1nu0 h PHE 79 CO -0.01 0.26 0.40 0.00 -2.23 0.00 0.00 178.31 176.73 1nu0 h ALA 80 N 1.02 0.85 -0.51 2.41 0.00 -0.87 -1.03 119.26 121.12 1nu0 h ALA 80 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nu0 h ALA 80 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1nu0 h ALA 80 CO -0.01 0.14 0.24 -0.91 0.00 0.00 0.00 179.25 178.71 1nu0 h ASN 81 N 0.78 0.68 -0.36 0.00 2.35 -0.85 -2.17 115.58 116.00 1nu0 h ASN 81 Ca 0.27 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1nu0 h ASN 81 Cb 0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1nu0 h ASN 81 CO -0.11 0.62 0.09 0.03 -1.65 0.00 0.00 177.43 176.41 1nu0 h ARG 82 N 0.68 0.66 -0.65 0.81 3.08 -0.30 0.31 114.38 118.98 1nu0 h ARG 82 Ca 0.18 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1nu0 h ARG 82 Cb 0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1nu0 h ARG 82 CO -0.02 0.61 0.09 0.82 -1.07 0.00 0.00 179.97 180.40 1nu0 h ILE 83 N 0.64 1.26 -0.43 2.04 2.04 -0.90 -0.31 117.51 121.86 1nu0 h ILE 83 Ca 0.14 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.82 1nu0 h ILE 83 Cb 0.26 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1nu0 h ILE 83 CO -0.00 0.39 -0.21 -0.74 0.00 0.00 0.00 178.15 177.59 1nu0 h HIS 84 N 1.01 1.04 -0.45 1.37 2.76 -0.95 -1.56 115.15 118.36 1nu0 h HIS 84 Ca 0.19 -0.26 -0.14 0.00 -2.20 0.00 0.00 60.37 57.96 1nu0 h HIS 84 Cb 0.46 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1nu0 h HIS 84 CO 0.03 1.05 -0.28 0.78 -1.30 0.00 0.00 177.93 178.22 1nu0 h GLY 85 N 0.73 1.07 1.87 5.26 0.00 -0.74 0.17 103.07 111.43 1nu0 h GLY 85 Ca 0.10 -1.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.25 1nu0 h GLY 85 CO 0.06 0.91 -0.78 3.21 0.00 0.00 0.00 176.54 179.94 1nu0 h ARG 86 N 0.83 0.12 0.00 4.80 3.08 -1.01 -3.39 114.38 118.81 1nu0 h ARG 86 Ca 0.09 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1nu0 h ARG 86 Cb 0.86 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1nu0 h ARG 86 CO 0.08 0.84 -0.63 1.19 -1.07 0.00 0.00 179.97 180.37 1nu0 n PHE 87 N -3.69 0.00 -0.28 3.04 3.72 -0.59 -5.02 117.46 114.64 1nu0 n PHE 87 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1nu0 n PHE 87 Cb 0.74 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 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 1.92 1.99 3.78 1.37 0.00 0.60 -5.02 105.19 109.84 1nu0 n GLY 88 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.12 3.40 0.14 1.61 0.11 -1.26 -4.97 120.40 116.31 1nu0 s VAL 89 Ca 0.00 0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 59.60 1nu0 s VAL 89 Cb 0.00 -3.34 -0.08 0.00 -1.53 0.00 0.00 36.38 31.44 1nu0 s VAL 89 CO 0.00 -0.21 1.29 -0.70 -3.33 0.00 0.00 175.10 172.15 1nu0 s GLU 90 N -3.34 4.40 -0.11 1.54 2.56 -1.26 -4.56 118.70 117.94 1nu0 s GLU 90 Ca 0.70 1.97 0.03 0.00 0.00 0.00 0.00 54.97 57.67 1nu0 s GLU 90 Cb -0.21 -3.25 0.01 0.00 2.00 0.00 0.00 34.13 32.68 1nu0 s GLU 90 CO 0.26 -0.27 -0.20 0.08 -0.56 0.00 0.00 175.26 174.56 1nu0 s VAL 91 N 0.55 1.82 0.04 3.70 1.01 -1.26 -0.95 120.40 125.30 1nu0 s VAL 91 Ca 0.59 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1nu0 s VAL 91 Cb -0.34 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1nu0 s VAL 91 CO 0.34 0.50 -0.20 -0.54 0.00 0.00 0.00 175.10 175.21 1nu0 s LYS 92 N 0.62 2.04 0.09 2.72 -0.14 0.37 -4.97 119.74 120.47 1nu0 s LYS 92 Ca -0.13 -0.99 -0.04 0.00 -1.36 0.00 0.00 55.97 53.45 1nu0 s LYS 92 Cb -0.16 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 33.78 1nu0 s LYS 92 CO 0.04 0.54 0.31 -0.51 -0.76 0.00 0.00 175.35 174.96 1nu0 s LEU 93 N -1.34 4.32 -0.03 3.17 1.43 -1.26 -0.91 118.68 124.05 1nu0 s LEU 93 Ca 0.14 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1nu0 s LEU 93 Cb -0.10 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.09 1nu0 s LEU 93 CO 0.04 0.14 0.02 -2.28 0.23 0.00 0.00 176.35 174.50 1nu0 s HIS 94 N -1.52 0.17 0.30 0.29 2.46 -0.64 -4.90 115.29 111.44 1nu0 s HIS 94 Ca 0.36 0.08 -0.29 0.00 0.47 0.00 0.00 55.06 55.67 1nu0 s HIS 94 Cb -0.13 -0.35 -0.13 0.00 -0.13 0.00 0.00 32.58 31.85 1nu0 s HIS 94 CO 0.23 -0.12 1.32 -0.25 -2.47 0.00 0.00 174.74 173.46 1nu0 n ASP 95 N 4.27 2.71 -3.58 9.88 8.00 -1.26 -0.34 116.55 136.23 1nu0 n ASP 95 Ca -0.25 1.18 -0.29 0.00 0.71 0.00 0.00 54.79 56.15 1nu0 n ASP 95 Cb 0.50 -1.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.03 1nu0 n ASP 95 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1nu0 s GLU 96 N -1.31 1.09 0.19 -1.24 2.12 0.30 -4.74 118.70 115.11 1nu0 s GLU 96 Ca 0.60 -1.97 -0.24 0.00 0.36 0.00 0.00 54.97 53.72 1nu0 s GLU 96 Cb -0.60 -1.91 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 1nu0 s GLU 96 CO 0.57 -1.25 0.78 1.03 -0.54 0.00 0.00 175.26 175.86 1nu0 s ARG 97 N 0.31 4.51 0.50 4.30 0.52 -1.26 -1.23 118.95 126.61 1nu0 s ARG 97 Ca 0.22 1.12 -0.23 0.00 -0.52 0.00 0.00 55.73 56.32 1nu0 s ARG 97 Cb -0.15 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.10 1nu0 s ARG 97 CO -0.06 0.52 1.30 -0.51 0.02 0.00 0.00 175.30 176.57 1nu0 s LEU 98 N -1.35 3.94 0.12 2.53 1.43 -0.60 -4.93 118.68 119.82 1nu0 s LEU 98 Ca 0.38 2.63 -0.05 0.00 -1.03 0.00 0.00 54.13 56.05 1nu0 s LEU 98 Cb -0.22 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 1nu0 s LEU 98 CO 0.25 -1.30 0.14 -0.94 0.23 0.00 0.00 176.35 174.73 1nu0 s SER 99 N -1.04 0.21 -0.07 2.29 1.04 -1.26 -4.84 113.70 110.04 1nu0 s SER 99 Ca 0.67 -0.95 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 1nu0 s SER 99 Cb -0.37 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1nu0 s SER 99 CO 0.44 -0.76 1.05 -0.89 0.98 0.00 0.00 173.24 174.06 1nu0 s THR 100 N -3.96 4.66 -0.21 2.02 2.01 -1.26 -5.02 115.64 113.88 1nu0 s THR 100 Ca 0.15 1.93 -0.27 0.00 0.31 0.00 0.00 61.69 63.82 1nu0 s THR 100 Cb 0.06 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 1nu0 s THR 100 CO -0.03 0.03 0.91 -0.69 -0.69 0.00 0.00 174.62 174.15 1nu0 s VAL 101 N 1.83 4.79 0.63 3.82 1.01 -1.26 -5.01 120.40 126.22 1nu0 s VAL 101 Ca 0.51 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 64.10 1nu0 s VAL 101 Cb -0.20 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1nu0 s VAL 101 CO 0.21 -0.08 1.08 -1.83 0.00 0.00 0.00 175.10 174.47 1nu0 s GLU 102 N 2.76 3.09 0.32 2.72 -1.05 -1.26 -5.36 118.70 119.92 1nu0 s GLU 102 Ca 0.39 1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 56.18 1nu0 s GLU 102 Cb -0.16 -2.00 -0.11 0.00 -0.44 0.00 0.00 34.13 31.43 1nu0 s GLU 102 CO 0.09 -1.00 1.52 0.00 0.95 0.00 0.00 175.26 176.81 1nu0 s ALA 103 N -2.46 3.65 0.00 -0.84 0.00 -1.26 -5.34 121.76 115.52 1nu0 s ALA 103 Ca 0.64 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1nu0 s ALA 103 Cb -0.18 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1nu0 s ALA 103 CO 0.40 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1nu0 n GLY 110 N 1.41 0.69 0.00 0.00 0.00 -1.26 -5.33 105.19 100.70 1nu0 n GLY 110 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1nu0 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nu0 n GLY 111 N -0.01 1.02 3.61 -0.02 0.00 -1.26 -5.09 105.19 103.44 1nu0 n GLY 111 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1nu0 n GLY 111 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1nu0 n TYR 112 N -0.46 1.14 -3.77 1.61 4.11 -1.26 -5.06 117.16 113.48 1nu0 n TYR 112 Ca 0.00 0.55 -0.13 0.00 -0.00 0.00 0.00 57.90 58.32 1nu0 n TYR 112 Cb 0.00 -2.22 -0.13 0.00 -0.00 0.00 0.00 39.34 36.98 1nu0 n TYR 112 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1nu0 s ARG 114 N -2.06 0.15 0.05 -3.48 0.52 -1.26 -5.16 118.95 107.71 1nu0 s ARG 114 Ca 0.64 0.36 0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1nu0 s ARG 114 Cb -0.55 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.82 1nu0 s ARG 114 CO 0.56 -0.12 -0.11 0.00 0.02 0.00 0.00 175.30 175.65 1nu0 s ALA 115 N 0.82 0.89 1.04 2.13 0.00 -1.26 -5.15 121.76 120.24 1nu0 s ALA 115 Ca -0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1nu0 s ALA 115 Cb -0.08 -0.04 0.22 0.00 0.00 0.00 0.00 23.12 23.22 1nu0 s ALA 115 CO -0.04 0.09 1.08 -0.51 0.00 0.00 0.00 175.76 176.37 1nu0 s LEU 116 N -1.58 1.78 0.63 0.00 1.43 -1.26 -4.93 118.68 114.74 1nu0 s LEU 116 Ca -0.05 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 1nu0 s LEU 116 Cb -0.10 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 1nu0 s LEU 116 CO 0.01 -3.66 1.18 0.54 0.23 0.00 0.00 176.35 174.65 1nu0 s ASN 117 N -2.62 5.02 0.29 2.29 4.22 -1.26 -4.70 114.94 118.18 1nu0 s ASN 117 Ca 0.67 2.28 0.04 0.00 -2.14 0.00 0.00 52.86 53.72 1nu0 s ASN 117 Cb -0.24 -2.59 0.75 0.00 1.28 0.00 0.00 41.25 40.45 1nu0 s ASN 117 CO 0.61 -1.70 1.69 0.50 -2.04 0.00 0.00 177.10 176.16 1nu0 h LYS 118 N 0.51 0.36 -0.95 3.55 3.64 -1.99 -1.27 116.57 120.43 1nu0 h LYS 118 Ca -0.49 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1nu0 h LYS 118 Cb 1.28 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1nu0 h LYS 118 CO 0.54 0.24 0.62 0.78 -2.27 0.00 0.00 179.45 179.36 1nu0 h GLY 119 N 0.37 1.34 1.83 5.01 0.00 -1.96 0.34 103.07 110.01 1nu0 h GLY 119 Ca 0.57 -0.51 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 1nu0 h GLY 119 CO -0.55 0.50 -1.08 0.50 0.00 0.00 0.00 176.54 175.91 1nu0 h LYS 120 N 1.29 0.13 -0.85 4.80 1.57 -1.49 -0.51 116.57 121.50 1nu0 h LYS 120 Ca 0.35 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1nu0 h LYS 120 Cb -0.13 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1nu0 h LYS 120 CO -0.07 1.08 0.48 0.28 -0.57 0.00 0.00 179.45 180.65 1nu0 h VAL 121 N 0.04 1.24 0.00 0.50 2.07 -0.84 -1.03 116.25 118.23 1nu0 h VAL 121 Ca -0.06 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1nu0 h VAL 121 Cb 1.82 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1nu0 h VAL 121 CO 0.16 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.48 1nu0 n ASP 122 N -4.35 0.14 -1.13 0.57 8.00 0.07 -1.50 116.55 118.35 1nu0 n ASP 122 Ca 0.09 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.24 1nu0 n ASP 122 Cb 0.08 -0.57 0.26 0.00 -0.02 0.00 0.00 41.12 40.87 1nu0 n ASP 122 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nu0 n SER 123 N -1.67 3.58 -0.29 -2.24 7.64 -0.40 -4.33 113.62 115.91 1nu0 n SER 123 Ca 0.02 -1.98 0.04 0.00 1.01 0.00 0.00 58.87 57.96 1nu0 n SER 123 Cb 0.12 -0.37 0.25 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.75 1.52 -0.05 -0.43 0.00 -1.18 -1.19 119.26 121.69 1nu0 h ALA 124 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1nu0 h ALA 124 Cb 0.92 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nu0 h ALA 124 CO 0.00 0.35 -0.40 0.77 0.00 0.00 0.00 179.25 179.97 1nu0 h SER 125 N 1.01 0.10 -0.41 0.00 0.02 -1.83 -1.77 113.55 110.67 1nu0 h SER 125 Ca 0.38 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1nu0 h SER 125 Cb 0.19 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1nu0 h SER 125 CO -0.14 0.50 -0.19 0.00 -1.14 0.00 0.00 176.83 175.86 1nu0 h ALA 126 N 1.51 0.81 -0.62 3.77 0.00 -1.55 -0.08 119.26 123.11 1nu0 h ALA 126 Ca 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1nu0 h ALA 126 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1nu0 h ALA 126 CO 0.06 0.65 0.30 0.28 0.00 0.00 0.00 179.25 180.54 1nu0 h VAL 127 N 0.79 1.21 -0.69 0.00 2.07 -1.00 -1.57 116.25 117.06 1nu0 h VAL 127 Ca 0.11 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1nu0 h VAL 127 Cb 0.73 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1nu0 h VAL 127 CO 0.06 0.24 0.36 0.40 0.02 0.00 0.00 177.57 178.65 1nu0 h ILE 128 N 0.84 1.22 -0.39 4.57 2.04 -0.87 0.51 117.51 125.44 1nu0 h ILE 128 Ca 0.21 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1nu0 h ILE 128 Cb 0.11 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1nu0 h ILE 128 CO -0.03 0.25 0.18 0.40 0.00 0.00 0.00 178.15 178.95 1nu0 h ILE 129 N 0.95 0.95 -0.26 -0.67 2.04 -0.78 -0.23 117.51 119.52 1nu0 h ILE 129 Ca 0.24 -0.13 -0.17 0.00 1.00 0.00 0.00 64.86 65.80 1nu0 h ILE 129 Cb 0.08 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1nu0 h ILE 129 CO -0.03 0.07 -0.52 0.25 0.00 0.00 0.00 178.15 177.91 1nu0 h LEU 130 N 0.36 0.90 -0.77 1.44 5.85 -0.80 -0.32 115.31 121.97 1nu0 h LEU 130 Ca 0.17 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1nu0 h LEU 130 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1nu0 h LEU 130 CO -0.13 1.28 0.34 -0.33 -0.34 0.00 0.00 178.44 179.26 1nu0 h GLU 131 N 0.56 1.13 -0.19 1.25 5.08 -0.82 -2.80 114.58 118.80 1nu0 h GLU 131 Ca 0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1nu0 h GLU 131 Cb 1.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1nu0 h GLU 131 CO 0.12 0.90 0.11 1.03 -1.00 0.00 0.00 179.01 180.17 1nu0 h SER 132 N 1.10 0.22 0.00 1.42 0.87 -0.82 0.25 113.55 116.59 1nu0 h SER 132 Ca 0.26 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1nu0 h SER 132 Cb 0.16 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1nu0 h SER 132 CO -0.03 0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.49 1nu0 n TYR 133 N -4.92 0.00 0.00 2.24 9.36 -0.15 -1.09 117.16 122.59 1nu0 n TYR 133 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1nu0 n TYR 133 Cb 0.05 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 1nu0 n TYR 133 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1nu0 n GLU 135 N 0.34 0.00 0.00 2.98 1.02 0.86 -1.87 120.64 123.97 1nu0 n GLU 135 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1nu0 n GLU 135 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 31.44 32.12 1nu0 n GLU 135 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nu0 n GLN 136 N 0.00 0.69 -1.49 3.49 6.02 -0.25 -4.88 117.38 120.95 1nu0 n GLN 136 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1nu0 n GLN 136 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 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 0.57 0.57 0.92 1.08 0.00 -1.19 -5.22 105.19 101.92 1nu0 n GLY 137 Ca 0.17 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1nu0 n GLY 137 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60