#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nu5 s LEU 2 N 0.00 4.29 0.00 -3.43 1.02 -1.26 -4.99 118.68 114.31 2nu5 s LEU 2 Ca 0.00 1.74 -0.00 0.00 0.02 0.00 0.00 54.13 55.89 2nu5 s LEU 2 Cb 0.00 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.65 2nu5 s LEU 2 CO 0.00 -0.49 0.04 0.35 0.02 0.00 0.00 176.35 176.27 2nu5 n THR 3 N 4.42 0.00 -3.59 5.49 -2.24 -1.26 -5.18 114.28 111.93 2nu5 n THR 3 Ca 0.09 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 2nu5 n THR 3 Cb 0.47 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 2nu5 n THR 3 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2nu5 s HIS 4 N -5.72 -0.36 -0.05 4.78 -3.43 -1.26 -5.16 115.29 104.08 2nu5 s HIS 4 Ca 0.02 0.30 -0.04 0.00 -0.80 0.00 0.00 55.06 54.54 2nu5 s HIS 4 Cb -0.00 0.32 0.02 0.00 -1.43 0.00 0.00 32.58 31.49 2nu5 s HIS 4 CO 0.01 -0.66 0.13 0.50 -2.00 0.00 0.00 174.74 172.72 2nu5 s ARG 5 N -2.81 0.12 -0.15 -0.38 3.52 -1.26 -5.14 118.95 112.84 2nu5 s ARG 5 Ca -0.03 0.24 -0.07 0.00 -0.13 0.00 0.00 55.73 55.73 2nu5 s ARG 5 Cb -0.00 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 2nu5 s ARG 5 CO -0.05 -0.07 0.11 0.21 -0.81 0.00 0.00 175.30 174.69 2nu5 s LYS 6 N 0.48 3.69 -0.00 5.12 2.20 -1.26 -5.10 119.74 124.87 2nu5 s LYS 6 Ca -0.03 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2nu5 s LYS 6 Cb -0.05 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2nu5 s LYS 6 CO -0.02 0.55 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.25 2nu5 s PHE 7 N -0.40 1.93 0.00 4.03 0.40 -1.26 -5.08 117.98 117.60 2nu5 s PHE 7 Ca 0.11 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2nu5 s PHE 7 Cb -0.12 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.19 2nu5 s PHE 7 CO 0.01 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.34 2nu5 n GLY 8 N 2.41 -0.90 0.00 4.36 0.00 -1.26 -5.08 105.19 104.72 2nu5 n GLY 8 Ca -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2nu5 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 9 N 0.00 1.73 0.78 -0.02 0.00 -1.26 -5.04 105.19 101.38 2nu5 n GLY 9 Ca 0.00 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.05 2nu5 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nu5 n SER 10 N -2.46 2.61 -3.41 1.61 3.41 -1.26 -4.99 113.62 109.12 2nu5 n SER 10 Ca 0.00 -1.81 -0.16 0.00 -0.26 0.00 0.00 58.87 56.64 2nu5 n SER 10 Cb 0.00 0.18 0.10 0.00 -0.26 0.00 0.00 64.21 64.23 2nu5 n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nu5 n GLY 11 N 1.37 -0.31 0.00 5.00 0.00 -1.26 -5.02 105.19 104.98 2nu5 n GLY 11 Ca 0.12 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2nu5 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 12 N -0.16 -1.47 3.58 -0.02 0.00 -1.26 -4.93 105.19 100.93 2nu5 n GLY 12 Ca 0.10 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 2nu5 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nu5 s SER 13 N -3.83 4.56 0.42 1.61 0.01 -1.26 -5.09 113.70 110.12 2nu5 s SER 13 Ca 0.00 -0.11 -0.25 0.00 1.31 0.00 0.00 55.95 56.89 2nu5 s SER 13 Cb 0.00 -1.08 -0.10 0.00 0.21 0.00 0.00 66.02 65.05 2nu5 s SER 13 CO 0.00 0.32 1.28 -2.65 0.41 0.00 0.00 173.24 172.59 2nu5 n PRO 14 N 1.87 1.94 -4.16 12.44 -0.02 -1.26 -5.04 135.00 140.78 2nu5 n PRO 14 Ca -0.17 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 61.91 2nu5 n PRO 14 Cb 0.53 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 2nu5 n PRO 14 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2nu5 s PHE 15 N -1.20 0.84 -0.02 6.00 -0.12 -1.26 -4.59 117.98 117.63 2nu5 s PHE 15 Ca 0.61 -1.04 0.07 0.00 -0.05 0.00 0.00 56.93 56.52 2nu5 s PHE 15 Cb -0.51 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.35 2nu5 s PHE 15 CO 0.58 -0.29 -0.22 -1.12 -0.05 0.00 0.00 175.22 174.11 2nu5 s SER 16 N -3.03 3.40 0.51 1.98 0.01 -1.26 -5.02 113.70 110.29 2nu5 s SER 16 Ca 0.15 -0.40 0.27 0.00 1.31 0.00 0.00 55.95 57.27 2nu5 s SER 16 Cb 0.07 -0.50 1.39 0.00 0.21 0.00 0.00 66.02 67.19 2nu5 s SER 16 CO -0.04 0.32 2.05 1.23 0.41 0.00 0.00 173.24 177.21 2nu5 h GLY 17 N 5.29 0.00 -7.22 3.44 0.00 -2.00 -3.39 103.07 99.20 2nu5 h GLY 17 Ca -0.45 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.21 2nu5 h GLY 17 CO 0.48 0.00 0.09 -2.27 0.00 0.00 0.00 176.54 174.84 2nu5 s LEU 18 N -7.25 4.72 -0.12 3.11 2.96 -1.26 -4.89 118.68 115.95 2nu5 s LEU 18 Ca -0.02 -0.65 0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2nu5 s LEU 18 Cb 0.13 -2.57 -0.15 0.00 0.50 0.00 0.00 46.19 44.10 2nu5 s LEU 18 CO 0.59 -0.85 0.03 -1.54 -1.32 0.00 0.00 176.35 173.26 2nu5 n SER 19 N 6.26 2.07 -3.59 3.68 3.41 -1.26 -4.87 113.62 119.32 2nu5 n SER 19 Ca -0.04 -0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 2nu5 n SER 19 Cb 0.47 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 65.12 2nu5 n SER 19 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2nu5 s SER 20 N -4.51 -0.41 -0.01 4.04 1.04 -1.26 -1.40 113.70 111.18 2nu5 s SER 20 Ca -0.06 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.51 2nu5 s SER 20 Cb 0.04 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2nu5 s SER 20 CO 0.49 -0.71 -0.03 -0.63 0.98 0.00 0.00 173.24 173.33 2nu5 s ILE 21 N -2.48 0.31 0.23 -1.02 -1.09 0.06 -0.95 121.20 116.26 2nu5 s ILE 21 Ca -0.05 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2nu5 s ILE 21 Cb -0.01 -0.30 -0.05 0.00 -1.58 0.00 0.00 42.46 40.53 2nu5 s ILE 21 CO -0.02 0.12 0.10 0.00 -1.23 0.00 0.00 174.94 173.91 2nu5 s ALA 22 N 0.26 1.51 0.07 9.38 0.00 -0.41 -0.35 121.76 132.23 2nu5 s ALA 22 Ca -0.02 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.15 2nu5 s ALA 22 Cb -0.06 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 2nu5 s ALA 22 CO -0.00 -0.50 -0.06 0.14 0.00 0.00 0.00 175.76 175.33 2nu5 s VAL 23 N -3.90 0.54 -0.18 0.00 -7.23 -1.26 -0.80 120.40 107.56 2nu5 s VAL 23 Ca 0.38 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 2nu5 s VAL 23 Cb 0.07 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2nu5 s VAL 23 CO 0.13 -0.73 0.11 -0.13 -0.31 0.00 0.00 175.10 174.16 2nu5 s ARG 24 N -3.04 4.00 0.05 4.82 0.52 -0.32 -0.34 118.95 124.64 2nu5 s ARG 24 Ca 0.03 -0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2nu5 s ARG 24 Cb 0.00 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 2nu5 s ARG 24 CO -0.04 0.36 0.15 -1.54 0.02 0.00 0.00 175.30 174.25 2nu5 s SER 25 N 0.17 0.13 0.00 0.23 1.04 -0.17 -0.34 113.70 114.76 2nu5 s SER 25 Ca 0.07 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2nu5 s SER 25 Cb -0.12 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2nu5 s SER 25 CO -0.01 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2nu5 n GLY 26 N 0.50 2.98 0.19 7.32 0.00 -1.26 -0.44 105.19 114.48 2nu5 n GLY 26 Ca -0.18 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.63 2nu5 n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2nu5 h SER 27 N 0.00 0.00 -4.92 1.61 0.02 -1.92 -3.24 113.55 105.10 2nu5 h SER 27 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 2nu5 h SER 27 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 2nu5 h SER 27 CO 0.00 0.29 -0.47 -1.22 -1.14 0.00 0.00 176.83 174.29 2nu5 n TYR 28 N -3.27 0.46 -2.70 3.45 4.01 -1.26 -1.96 117.16 115.88 2nu5 n TYR 28 Ca 0.01 -2.57 -0.43 0.00 -0.16 0.00 0.00 57.90 54.75 2nu5 n TYR 28 Cb 0.56 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 2nu5 n TYR 28 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2nu5 s LEU 29 N 0.00 3.79 0.26 7.72 1.43 0.04 -4.39 118.68 127.53 2nu5 s LEU 29 Ca 0.14 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2nu5 s LEU 29 Cb 0.01 -3.34 0.33 0.00 0.03 0.00 0.00 46.19 43.22 2nu5 s LEU 29 CO 0.10 -1.20 1.61 0.44 0.23 0.00 0.00 176.35 177.53 2nu5 h ASP 30 N 9.21 0.16 -5.00 2.29 5.19 -0.99 -0.88 116.42 126.39 2nu5 h ASP 30 Ca -0.24 -0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.04 2nu5 h ASP 30 Cb 1.07 -0.05 -0.16 0.00 0.18 0.00 0.00 39.33 40.37 2nu5 h ASP 30 CO 1.09 0.70 0.17 0.00 -3.12 0.00 0.00 179.24 178.08 2nu5 s ALA 31 N -3.77 -1.64 0.01 3.45 0.00 -0.99 -1.08 121.76 117.75 2nu5 s ALA 31 Ca -0.03 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.95 2nu5 s ALA 31 Cb 0.12 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2nu5 s ALA 31 CO 0.78 -0.52 -0.26 -1.50 0.00 0.00 0.00 175.76 174.26 2nu5 s ILE 32 N -2.22 2.11 -0.22 0.00 2.07 -0.18 -1.17 121.20 121.60 2nu5 s ILE 32 Ca -0.06 -1.25 0.02 0.00 -1.41 0.00 0.00 60.65 57.94 2nu5 s ILE 32 Cb -0.00 -1.77 0.04 0.00 0.13 0.00 0.00 42.46 40.85 2nu5 s ILE 32 CO 0.01 0.47 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.72 2nu5 s ILE 33 N -0.71 2.08 -0.21 2.00 1.09 0.02 -0.41 121.20 125.05 2nu5 s ILE 33 Ca 0.11 -1.26 -0.01 0.00 -1.10 0.00 0.00 60.65 58.39 2nu5 s ILE 33 Cb -0.10 -2.04 0.01 0.00 -1.06 0.00 0.00 42.46 39.27 2nu5 s ILE 33 CO 0.01 0.26 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.36 2nu5 s ILE 34 N 1.21 2.72 -1.35 2.92 -1.09 -0.33 -1.28 121.20 124.01 2nu5 s ILE 34 Ca -0.02 -0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 57.57 2nu5 s ILE 34 Cb -0.16 -2.22 0.05 0.00 -1.58 0.00 0.00 42.46 38.54 2nu5 s ILE 34 CO -0.09 0.45 0.48 0.47 -1.23 0.00 0.00 174.94 175.02 2nu5 n ASP 35 N 4.70 -4.45 0.00 3.58 8.00 -0.13 -1.02 116.55 127.24 2nu5 n ASP 35 Ca -0.19 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2nu5 n ASP 35 Cb 0.50 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 2nu5 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nu5 n GLY 36 N -1.24 2.13 3.68 0.44 0.00 -1.26 -4.99 105.19 103.94 2nu5 n GLY 36 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2nu5 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nu5 s VAL 37 N -2.79 5.07 0.04 1.61 1.01 -0.18 -5.02 120.40 120.13 2nu5 s VAL 37 Ca 0.00 1.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.88 2nu5 s VAL 37 Cb 0.00 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2nu5 s VAL 37 CO 0.00 0.19 0.73 -2.28 0.00 0.00 0.00 175.10 173.74 2nu5 s HIS 38 N 1.43 3.73 -0.19 5.22 2.46 -1.26 -1.18 115.29 125.49 2nu5 s HIS 38 Ca 0.29 1.42 -0.02 0.00 0.47 0.00 0.00 55.06 57.22 2nu5 s HIS 38 Cb -0.16 -2.78 0.06 0.00 -0.13 0.00 0.00 32.58 29.57 2nu5 s HIS 38 CO 0.11 0.29 0.02 -1.01 -2.47 0.00 0.00 174.74 171.69 2nu5 s HIS 39 N -0.09 1.18 -2.34 3.88 3.76 0.45 -5.00 115.29 117.12 2nu5 s HIS 39 Ca 0.37 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 2nu5 s HIS 39 Cb -0.20 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.40 2nu5 s HIS 39 CO 0.22 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 173.90 2nu5 n GLY 40 N 5.01 0.73 0.00 -2.22 0.00 -1.26 -1.01 105.19 106.44 2nu5 n GLY 40 Ca -0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2nu5 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 41 N 0.00 1.73 0.69 -0.02 0.00 -0.24 -4.84 105.19 102.50 2nu5 n GLY 41 Ca 0.00 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 44.01 2nu5 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nu5 n SER 42 N -2.20 2.84 -3.75 1.61 3.41 -1.26 -4.56 113.62 109.70 2nu5 n SER 42 Ca 0.00 -1.89 -0.30 0.00 -0.26 0.00 0.00 58.87 56.42 2nu5 n SER 42 Cb 0.00 -0.20 0.27 0.00 -0.26 0.00 0.00 64.21 64.01 2nu5 n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2nu5 s GLY 43 N -1.02 1.48 0.00 5.00 0.00 -1.26 -4.92 107.32 106.60 2nu5 s GLY 43 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2nu5 s GLY 43 CO 0.18 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.08 2nu5 n GLY 44 N 0.61 -0.22 3.42 0.20 0.00 -1.26 -4.48 105.19 103.46 2nu5 n GLY 44 Ca 0.11 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 2nu5 n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nu5 s ASN 45 N -4.00 3.59 -0.12 1.61 0.02 0.41 -4.77 114.94 111.68 2nu5 s ASN 45 Ca 0.00 -0.48 -0.27 0.00 -1.02 0.00 0.00 52.86 51.09 2nu5 s ASN 45 Cb 0.00 -0.51 -0.02 0.00 0.02 0.00 0.00 41.25 40.75 2nu5 s ASN 45 CO 0.00 0.26 0.89 -0.22 0.02 0.00 0.00 177.10 178.05 2nu5 s LEU 46 N -1.36 4.23 0.77 0.60 2.96 -1.26 -1.00 118.68 123.62 2nu5 s LEU 46 Ca 0.14 1.34 -0.11 0.00 -0.22 0.00 0.00 54.13 55.27 2nu5 s LEU 46 Cb -0.10 -3.36 0.05 0.00 0.50 0.00 0.00 46.19 43.28 2nu5 s LEU 46 CO 0.04 -0.38 1.08 -0.94 -1.32 0.00 0.00 176.35 174.84 2nu5 s SER 47 N 1.08 4.76 0.96 3.68 1.04 0.54 -5.01 113.70 120.75 2nu5 s SER 47 Ca 0.43 1.44 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 2nu5 s SER 47 Cb -0.18 -2.22 0.17 0.00 0.10 0.00 0.00 66.02 63.90 2nu5 s SER 47 CO 0.16 -1.82 1.12 -2.84 0.98 0.00 0.00 173.24 170.84 2nu5 s PRO 48 N -5.10 0.66 -0.03 4.02 0.02 -1.26 -4.65 135.00 128.66 2nu5 s PRO 48 Ca 0.60 1.36 -0.20 0.00 0.02 0.00 0.00 61.00 62.78 2nu5 s PRO 48 Cb -0.14 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 2nu5 s PRO 48 CO 0.55 -2.81 0.57 0.99 -0.33 0.00 0.00 177.00 175.96 2nu5 s THR 49 N -2.63 4.97 -0.27 0.99 2.01 -1.26 -4.63 115.64 114.81 2nu5 s THR 49 Ca 0.67 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.74 2nu5 s THR 49 Cb -0.23 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2nu5 s THR 49 CO 0.59 0.41 0.18 0.12 -0.69 0.00 0.00 174.62 175.23 2nu5 s PHE 50 N -0.08 3.25 -0.20 4.92 2.19 0.53 -4.95 117.98 123.64 2nu5 s PHE 50 Ca 0.30 0.15 -0.03 0.00 0.33 0.00 0.00 56.93 57.68 2nu5 s PHE 50 Cb -0.18 -2.35 -0.01 0.00 -1.31 0.00 0.00 43.02 39.17 2nu5 s PHE 50 CO 0.16 -0.10 -0.06 0.99 1.83 0.00 0.00 175.22 178.04 2nu5 s THR 51 N 1.58 3.39 0.22 0.12 2.01 -1.26 -0.76 115.64 120.95 2nu5 s THR 51 Ca 0.07 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2nu5 s THR 51 Cb -0.15 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.75 2nu5 s THR 51 CO 0.09 0.45 1.24 -0.36 -0.69 0.00 0.00 174.62 175.35 2nu5 s PHE 52 N 1.15 3.33 0.95 4.92 0.08 -0.50 -5.01 117.98 122.91 2nu5 s PHE 52 Ca 0.02 1.38 -0.15 0.00 0.12 0.00 0.00 56.93 58.30 2nu5 s PHE 52 Cb -0.14 -3.51 0.18 0.00 -0.57 0.00 0.00 43.02 38.98 2nu5 s PHE 52 CO -0.01 -1.45 1.25 0.20 -0.10 0.00 0.00 175.22 175.11 2nu5 s GLY 53 N -0.00 1.70 0.19 4.36 0.00 -1.26 -4.93 107.32 107.37 2nu5 s GLY 53 Ca 0.53 -0.99 -0.32 0.00 0.00 0.00 0.00 44.72 43.94 2nu5 s GLY 53 CO 0.40 -0.28 1.74 1.44 0.00 0.00 0.00 173.10 176.39 2nu5 n SER 54 N -3.80 3.94 -0.06 1.64 7.64 -1.26 -2.03 113.62 119.70 2nu5 n SER 54 Ca 0.13 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 61.05 2nu5 n SER 54 Cb 0.60 -1.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2nu5 n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nu5 n GLY 55 N 3.99 0.44 3.63 0.23 0.00 -1.26 -5.01 105.19 107.21 2nu5 n GLY 55 Ca 0.17 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2nu5 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nu5 s GLU 56 N -0.75 3.11 0.13 1.61 2.12 -0.86 -4.92 118.70 119.14 2nu5 s GLU 56 Ca 0.00 -0.45 -0.15 0.00 0.36 0.00 0.00 54.97 54.73 2nu5 s GLU 56 Cb 0.00 -2.80 0.03 0.00 0.26 0.00 0.00 34.13 31.62 2nu5 s GLU 56 CO 0.00 0.59 0.38 1.52 -0.54 0.00 0.00 175.26 177.21 2nu5 s TYR 57 N -0.58 -0.14 -0.01 5.30 -0.85 -1.26 -4.56 117.35 115.25 2nu5 s TYR 57 Ca 0.09 -0.20 -0.30 0.00 -0.52 0.00 0.00 57.07 56.15 2nu5 s TYR 57 Cb -0.12 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.39 2nu5 s TYR 57 CO 0.02 -0.70 1.40 0.42 -1.52 0.00 0.00 175.55 175.17 2nu5 s ILE 58 N -3.82 3.72 -0.10 -3.49 1.01 -1.26 -1.45 121.20 115.82 2nu5 s ILE 58 Ca 0.04 1.10 0.13 0.00 0.00 0.00 0.00 60.65 61.92 2nu5 s ILE 58 Cb 0.02 -3.71 -0.19 0.00 0.01 0.00 0.00 42.46 38.60 2nu5 s ILE 58 CO -0.11 -0.01 0.14 -1.54 0.00 0.00 0.00 174.94 173.42 2nu5 n SER 59 N 5.45 1.64 -3.85 3.58 3.41 -0.31 -1.75 113.62 121.78 2nu5 n SER 59 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 2nu5 n SER 59 Cb 0.44 1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 65.38 2nu5 n SER 59 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2nu5 s ASN 60 N -4.34 -0.06 -0.06 4.04 3.84 -1.00 -1.05 114.94 116.30 2nu5 s ASN 60 Ca -0.06 0.08 -0.09 0.00 0.21 0.00 0.00 52.86 53.00 2nu5 s ASN 60 Cb 0.06 0.22 0.02 0.00 -0.55 0.00 0.00 41.25 40.99 2nu5 s ASN 60 CO 0.58 -0.13 0.23 -0.32 -2.79 0.00 0.00 177.10 174.67 2nu5 s MET 61 N -0.36 0.37 -0.11 0.43 1.75 -0.10 -0.93 119.30 120.35 2nu5 s MET 61 Ca -0.04 0.12 0.02 0.00 -1.25 0.00 0.00 55.69 54.53 2nu5 s MET 61 Cb -0.03 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.82 2nu5 s MET 61 CO 0.00 -0.07 -0.15 0.99 -0.65 0.00 0.00 175.02 175.14 2nu5 s THR 62 N -0.37 1.52 -0.12 10.11 2.01 0.13 -0.85 115.64 128.08 2nu5 s THR 62 Ca -0.05 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2nu5 s THR 62 Cb -0.03 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2nu5 s THR 62 CO 0.01 0.44 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.53 2nu5 s ILE 63 N 1.01 2.11 -0.14 1.82 1.01 0.02 -0.92 121.20 126.11 2nu5 s ILE 63 Ca -0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 2nu5 s ILE 63 Cb -0.15 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2nu5 s ILE 63 CO -0.02 0.55 0.21 -0.13 0.00 0.00 0.00 174.94 175.55 2nu5 s ARG 64 N 0.52 3.90 0.07 2.79 0.52 -0.33 -0.48 118.95 125.93 2nu5 s ARG 64 Ca -0.14 -0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 54.85 2nu5 s ARG 64 Cb -0.17 -3.31 0.04 0.00 0.52 0.00 0.00 34.95 32.03 2nu5 s ARG 64 CO 0.05 0.51 0.43 -1.54 0.02 0.00 0.00 175.30 174.76 2nu5 s SER 65 N -0.29 -0.30 0.00 0.23 1.04 -0.37 -0.58 113.70 113.43 2nu5 s SER 65 Ca 0.14 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2nu5 s SER 65 Cb -0.13 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2nu5 s SER 65 CO 0.03 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2nu5 n GLY 66 N 0.30 3.05 0.21 7.32 0.00 -1.26 -0.94 105.19 113.86 2nu5 n GLY 66 Ca -0.18 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.56 2nu5 n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nu5 h ASP 67 N 0.00 0.00 -2.26 1.61 3.32 -2.00 -3.46 116.42 113.63 2nu5 h ASP 67 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2nu5 h ASP 67 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2nu5 h ASP 67 CO 0.00 0.23 -0.50 -0.31 -1.72 0.00 0.00 179.24 176.94 2nu5 s TYR 68 N -3.40 1.77 -0.38 4.55 2.02 -1.26 -4.78 117.35 115.88 2nu5 s TYR 68 Ca 0.03 -1.25 -0.24 0.00 -0.37 0.00 0.00 57.07 55.23 2nu5 s TYR 68 Cb 0.08 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 2nu5 s TYR 68 CO 0.66 -0.20 0.84 0.42 -1.57 0.00 0.00 175.55 175.70 2nu5 s ILE 69 N -3.09 4.67 0.04 2.71 -1.09 -0.03 -4.40 121.20 120.00 2nu5 s ILE 69 Ca 0.16 0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 59.51 2nu5 s ILE 69 Cb 0.01 -4.27 -0.26 0.00 -1.58 0.00 0.00 42.46 36.36 2nu5 s ILE 69 CO 0.11 -0.51 1.00 0.44 -1.23 0.00 0.00 174.94 174.75 2nu5 h ASP 70 N 8.54 0.30 -4.70 3.58 5.19 -1.16 0.17 116.42 128.35 2nu5 h ASP 70 Ca -0.24 -0.38 -0.06 0.00 -0.62 0.00 0.00 57.03 55.73 2nu5 h ASP 70 Cb 1.09 -0.10 -0.20 0.00 0.18 0.00 0.00 39.33 40.30 2nu5 h ASP 70 CO 0.94 1.31 0.15 0.21 -3.12 0.00 0.00 179.24 178.73 2nu5 s ASN 71 N -6.91 -0.66 -0.01 6.45 3.84 -0.95 -0.89 114.94 115.81 2nu5 s ASN 71 Ca -0.05 0.90 0.02 0.00 0.21 0.00 0.00 52.86 53.94 2nu5 s ASN 71 Cb 0.08 0.80 -0.00 0.00 -0.55 0.00 0.00 41.25 41.57 2nu5 s ASN 71 CO 0.85 -0.49 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.97 2nu5 s ILE 72 N -0.72 0.55 0.03 -5.21 1.01 -0.45 -1.19 121.20 115.22 2nu5 s ILE 72 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2nu5 s ILE 72 Cb -0.02 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2nu5 s ILE 72 CO 0.07 0.16 -0.04 -0.55 0.00 0.00 0.00 174.94 174.58 2nu5 s SER 73 N -0.10 0.47 0.17 3.58 0.15 -0.10 -1.25 113.70 116.62 2nu5 s SER 73 Ca 0.02 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.92 2nu5 s SER 73 Cb -0.03 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2nu5 s SER 73 CO -0.00 -0.35 0.35 0.72 1.20 0.00 0.00 173.24 175.17 2nu5 s PHE 74 N -2.03 0.22 0.04 3.44 -0.12 -0.13 -0.69 117.98 118.72 2nu5 s PHE 74 Ca -0.09 -0.59 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 2nu5 s PHE 74 Cb -0.06 0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2nu5 s PHE 74 CO -0.03 -0.77 -0.13 -2.00 -0.05 0.00 0.00 175.22 172.24 2nu5 s GLU 75 N -3.93 0.88 0.43 1.99 2.12 -0.11 -0.70 118.70 119.37 2nu5 s GLU 75 Ca 0.14 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.79 2nu5 s GLU 75 Cb 0.02 -0.87 0.01 0.00 0.26 0.00 0.00 34.13 33.55 2nu5 s GLU 75 CO -0.01 0.21 0.59 0.95 -0.54 0.00 0.00 175.26 176.45 2nu5 s THR 76 N -0.88 3.06 0.37 -1.70 -4.23 0.21 -1.16 115.64 111.31 2nu5 s THR 76 Ca 0.01 -0.96 0.38 0.00 -1.18 0.00 0.00 61.69 59.94 2nu5 s THR 76 Cb -0.08 -3.04 0.38 0.00 1.34 0.00 0.00 72.50 71.11 2nu5 s THR 76 CO 0.01 -0.02 2.15 -0.55 -0.54 0.00 0.00 174.62 175.68 2nu5 h ASN 77 N 0.59 0.00 0.01 3.99 -1.07 -1.58 0.19 115.58 117.70 2nu5 h ASN 77 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.96 2nu5 h ASN 77 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2nu5 h ASN 77 CO 0.47 0.00 -0.02 0.23 0.07 0.00 0.00 177.43 178.18 2nu5 n MET 78 N -2.87 1.56 -0.63 4.14 2.81 -1.26 -4.93 117.12 115.94 2nu5 n MET 78 Ca -0.02 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 2nu5 n MET 78 Cb 0.09 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2nu5 n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2nu5 n GLY 79 N 1.18 0.71 3.83 3.03 0.00 0.66 -5.05 105.19 109.55 2nu5 n GLY 79 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2nu5 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nu5 s ARG 80 N -0.37 4.16 -0.02 1.61 0.52 -1.26 -4.78 118.95 118.82 2nu5 s ARG 80 Ca 0.00 0.95 0.07 0.00 -0.52 0.00 0.00 55.73 56.23 2nu5 s ARG 80 Cb 0.00 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 2nu5 s ARG 80 CO 0.00 0.08 -0.23 1.03 0.02 0.00 0.00 175.30 176.20 2nu5 s ARG 81 N -2.99 2.18 -0.11 3.54 1.81 -1.26 -0.62 118.95 121.50 2nu5 s ARG 81 Ca 0.58 -0.89 0.04 0.00 -1.72 0.00 0.00 55.73 53.73 2nu5 s ARG 81 Cb -0.10 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.27 2nu5 s ARG 81 CO 0.16 0.57 -0.23 0.12 -0.68 0.00 0.00 175.30 175.24 2nu5 s PHE 82 N -0.67 2.59 0.00 -0.53 5.36 0.12 -4.99 117.98 119.86 2nu5 s PHE 82 Ca 0.11 -1.11 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 2nu5 s PHE 82 Cb -0.10 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 2nu5 s PHE 82 CO -0.00 -0.46 0.00 0.41 -1.46 0.00 0.00 175.22 173.71 2nu5 n GLY 83 N 3.65 -0.94 3.74 13.12 0.00 -1.26 -0.96 105.19 122.54 2nu5 n GLY 83 Ca -0.19 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 2nu5 n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nu5 s PRO 84 N 0.00 2.71 -0.02 1.61 0.02 -1.26 -4.87 135.00 133.19 2nu5 s PRO 84 Ca 0.00 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.18 2nu5 s PRO 84 Cb 0.00 -1.96 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 2nu5 s PRO 84 CO 0.00 -1.50 -0.11 0.71 -0.33 0.00 0.00 177.00 175.77 2nu5 s TYR 85 N -1.36 1.09 0.00 6.54 2.02 -0.38 -4.98 117.35 120.27 2nu5 s TYR 85 Ca 0.80 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 2nu5 s TYR 85 Cb -0.39 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 2nu5 s TYR 85 CO 0.42 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.75 2nu5 n GLY 86 N 3.02 0.12 0.00 0.71 0.00 -1.26 -1.35 105.19 106.44 2nu5 n GLY 86 Ca -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2nu5 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 87 N 0.00 4.07 0.91 -0.02 0.00 -0.07 -4.75 105.19 105.33 2nu5 n GLY 87 Ca 0.00 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.93 2nu5 n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nu5 n SER 88 N -1.25 3.34 -3.02 1.61 3.41 -1.26 -4.50 113.62 111.94 2nu5 n SER 88 Ca 0.00 -2.03 -0.16 0.00 -0.26 0.00 0.00 58.87 56.43 2nu5 n SER 88 Cb 0.00 -0.33 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 2nu5 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nu5 n GLY 89 N 0.90 -1.82 7.00 5.00 0.00 -1.26 -4.94 105.19 110.07 2nu5 n GLY 89 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2nu5 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 90 N -0.26 -1.11 3.24 -0.02 0.00 -1.26 -4.54 105.19 101.23 2nu5 n GLY 90 Ca 0.08 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 2nu5 n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nu5 s SER 91 N -4.00 2.32 0.18 1.61 0.01 -0.12 -4.79 113.70 108.91 2nu5 s SER 91 Ca 0.00 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 2nu5 s SER 91 Cb 0.00 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 2nu5 s SER 91 CO 0.00 0.09 0.74 0.00 0.41 0.00 0.00 173.24 174.49 2nu5 s ALA 92 N -0.95 3.44 0.01 1.44 0.00 -1.26 -1.24 121.76 123.20 2nu5 s ALA 92 Ca 0.06 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2nu5 s ALA 92 Cb -0.09 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 2nu5 s ALA 92 CO 0.02 0.31 -0.06 -0.80 0.00 0.00 0.00 175.76 175.24 2nu5 s ASN 93 N -1.34 0.65 -0.03 0.00 0.01 0.36 -4.98 114.94 109.61 2nu5 s ASN 93 Ca 0.38 -0.20 0.06 0.00 -0.71 0.00 0.00 52.86 52.40 2nu5 s ASN 93 Cb -0.20 -0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.40 2nu5 s ASN 93 CO 0.24 0.00 -0.21 0.42 -1.51 0.00 0.00 177.10 176.03 2nu5 s THR 94 N -0.41 1.71 -0.16 1.60 -4.23 -1.26 -0.80 115.64 112.09 2nu5 s THR 94 Ca -0.01 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 2nu5 s THR 94 Cb -0.04 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2nu5 s THR 94 CO -0.00 0.48 0.09 -0.76 -0.54 0.00 0.00 174.62 173.89 2nu5 s LEU 95 N -0.35 4.03 -0.01 4.79 1.43 -0.03 -4.98 118.68 123.56 2nu5 s LEU 95 Ca 0.04 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 2nu5 s LEU 95 Cb -0.10 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2nu5 s LEU 95 CO 0.00 0.26 -0.11 -0.44 0.23 0.00 0.00 176.35 176.29 2nu5 s SER 96 N -0.14 1.32 -1.13 2.29 0.01 -1.26 -0.92 113.70 113.87 2nu5 s SER 96 Ca 0.08 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 2nu5 s SER 96 Cb -0.12 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2nu5 s SER 96 CO 0.01 0.13 0.95 -3.20 0.41 0.00 0.00 173.24 171.53 2nu5 n ASN 97 N 2.90 -4.21 -4.56 2.44 4.05 -0.23 -4.73 115.26 110.93 2nu5 n ASN 97 Ca -0.15 -0.68 -0.31 0.00 0.45 0.00 0.00 54.58 53.90 2nu5 n ASN 97 Cb 0.56 -5.09 -0.08 0.00 1.23 0.00 0.00 39.78 36.40 2nu5 n ASN 97 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2nu5 s VAL 98 N -3.39 1.03 -0.20 3.44 -7.23 -0.21 -0.92 120.40 112.91 2nu5 s VAL 98 Ca 0.22 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2nu5 s VAL 98 Cb -0.03 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.71 2nu5 s VAL 98 CO 0.74 0.00 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.76 2nu5 s LYS 99 N -3.82 1.19 0.09 4.82 2.20 -0.38 -4.08 119.74 119.76 2nu5 s LYS 99 Ca 0.12 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 2nu5 s LYS 99 Cb 0.02 -2.28 -0.06 0.00 -1.51 0.00 0.00 37.83 34.00 2nu5 s LYS 99 CO 0.07 -0.58 1.20 0.08 -0.36 0.00 0.00 175.35 175.76 2nu5 s VAL 100 N 1.63 3.90 -0.24 4.02 1.01 -0.72 -0.86 120.40 129.14 2nu5 s VAL 100 Ca -0.03 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.38 2nu5 s VAL 100 Cb -0.17 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 2nu5 s VAL 100 CO -0.07 0.14 -0.22 -0.38 0.00 0.00 0.00 175.10 174.57 2nu5 n ILE 101 N 3.57 1.39 -3.63 2.22 2.08 0.79 -4.66 119.36 121.12 2nu5 n ILE 101 Ca 0.08 -0.51 -0.12 0.00 0.56 0.00 0.00 62.75 62.75 2nu5 n ILE 101 Cb 0.46 -1.40 -0.06 0.00 -0.75 0.00 0.00 39.64 37.90 2nu5 n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2nu5 s GLN 102 N -2.48 0.98 -0.21 0.38 2.00 -0.87 -4.56 119.66 114.90 2nu5 s GLN 102 Ca -0.33 -0.42 -0.01 0.00 -2.00 0.00 0.00 55.36 52.60 2nu5 s GLN 102 Cb 0.09 0.44 0.06 0.00 0.80 0.00 0.00 33.01 34.40 2nu5 s GLN 102 CO 0.55 -0.35 -0.01 0.42 -0.50 0.00 0.00 175.29 175.39 2nu5 s ILE 103 N -2.80 0.97 0.55 -2.34 1.01 -1.26 -0.99 121.20 116.33 2nu5 s ILE 103 Ca -0.03 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.86 2nu5 s ILE 103 Cb -0.00 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 41.16 2nu5 s ILE 103 CO -0.05 -0.13 0.39 0.20 0.00 0.00 0.00 174.94 175.36 2nu5 s ASN 104 N 1.66 4.61 0.00 3.58 0.01 -0.46 -4.98 114.94 119.36 2nu5 s ASN 104 Ca -0.03 -1.27 0.00 0.00 -0.71 0.00 0.00 52.86 50.85 2nu5 s ASN 104 Cb -0.18 0.44 0.00 0.00 0.41 0.00 0.00 41.25 41.92 2nu5 s ASN 104 CO -0.07 -1.10 0.00 0.61 -1.51 0.00 0.00 177.10 175.02 2nu5 n GLY 105 N -1.75 -0.80 2.97 0.66 0.00 -1.26 -0.40 105.19 104.61 2nu5 n GLY 105 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 2nu5 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nu5 s SER 106 N -4.00 0.38 0.03 1.61 0.01 -0.57 -4.92 113.70 106.24 2nu5 s SER 106 Ca 0.00 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 2nu5 s SER 106 Cb 0.00 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.30 2nu5 s SER 106 CO 0.00 -0.16 0.35 0.00 0.41 0.00 0.00 173.24 173.84 2nu5 s ALA 107 N -0.95 -0.85 0.00 1.44 0.00 -1.26 -1.45 121.76 118.69 2nu5 s ALA 107 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2nu5 s ALA 107 Cb -0.07 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2nu5 s ALA 107 CO -0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2nu5 n GLY 108 N 0.69 2.81 0.15 0.00 0.00 -1.26 -4.85 105.19 102.73 2nu5 n GLY 108 Ca -0.19 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.51 2nu5 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nu5 h ASP 109 N 0.00 0.00 -1.91 1.61 3.32 -1.90 -3.11 116.42 114.44 2nu5 h ASP 109 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2nu5 h ASP 109 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2nu5 h ASP 109 CO 0.00 0.55 -0.53 -0.31 -1.72 0.00 0.00 179.24 177.23 2nu5 s TYR 110 N -3.55 1.87 -0.52 4.55 2.02 -1.26 -1.75 117.35 118.72 2nu5 s TYR 110 Ca -0.01 -1.09 -0.25 0.00 -0.37 0.00 0.00 57.07 55.35 2nu5 s TYR 110 Cb 0.12 -1.39 0.03 0.00 -0.40 0.00 0.00 41.96 40.32 2nu5 s TYR 110 CO 0.74 -0.02 0.97 -1.17 -1.57 0.00 0.00 175.55 174.50 2nu5 s LEU 111 N -3.72 3.97 0.05 -1.29 2.96 -0.34 -4.50 118.68 115.82 2nu5 s LEU 111 Ca 0.18 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.83 2nu5 s LEU 111 Cb 0.03 -3.03 -0.21 0.00 0.50 0.00 0.00 46.19 43.48 2nu5 s LEU 111 CO 0.10 -1.19 1.19 0.44 -1.32 0.00 0.00 176.35 175.56 2nu5 h ASP 112 N 9.25 0.75 -5.03 3.68 5.19 -1.56 -0.05 116.42 128.64 2nu5 h ASP 112 Ca -0.25 -0.71 -0.06 0.00 -0.62 0.00 0.00 57.03 55.39 2nu5 h ASP 112 Cb 1.07 -0.23 -0.15 0.00 0.18 0.00 0.00 39.33 40.20 2nu5 h ASP 112 CO 1.08 1.35 0.00 -0.94 -3.12 0.00 0.00 179.24 177.61 2nu5 s SER 113 N -6.98 -0.38 -0.02 6.45 1.04 -0.92 -3.59 113.70 109.30 2nu5 s SER 113 Ca -0.12 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.39 2nu5 s SER 113 Cb 0.06 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2nu5 s SER 113 CO 0.87 -0.75 -0.15 -0.76 0.98 0.00 0.00 173.24 173.42 2nu5 s LEU 114 N -2.20 2.01 -0.33 2.42 1.43 -1.26 -1.51 118.68 119.24 2nu5 s LEU 114 Ca -0.03 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2nu5 s LEU 114 Cb -0.00 -0.81 0.08 0.00 0.03 0.00 0.00 46.19 45.49 2nu5 s LEU 114 CO -0.05 0.18 0.03 -1.81 0.23 0.00 0.00 176.35 174.94 2nu5 s ASP 115 N -0.30 4.82 -0.25 2.29 1.01 0.47 -4.92 116.67 119.79 2nu5 s ASP 115 Ca 0.05 -1.76 -0.10 0.00 0.71 0.00 0.00 52.55 51.45 2nu5 s ASP 115 Cb -0.07 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 2nu5 s ASP 115 CO -0.00 -0.34 0.14 -0.63 0.21 0.00 0.00 175.17 174.55 2nu5 s ILE 116 N 1.07 5.08 -0.14 0.77 -1.09 -1.26 -1.35 121.20 124.28 2nu5 s ILE 116 Ca 0.02 0.09 -0.07 0.00 -2.23 0.00 0.00 60.65 58.46 2nu5 s ILE 116 Cb -0.20 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2nu5 s ILE 116 CO -0.05 0.32 0.11 -0.31 -1.23 0.00 0.00 174.94 173.78 2nu5 s TYR 117 N 1.34 3.46 0.19 3.97 1.51 -0.16 -5.00 117.35 122.66 2nu5 s TYR 117 Ca 0.07 0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 56.30 2nu5 s TYR 117 Cb -0.15 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.77 2nu5 s TYR 117 CO 0.06 0.54 0.63 1.52 -1.11 0.00 0.00 175.55 177.19 2nu5 s TYR 118 N -0.55 -0.42 -0.16 2.71 1.13 -1.26 -0.15 117.35 118.64 2nu5 s TYR 118 Ca 0.12 0.14 -0.12 0.00 -1.41 0.00 0.00 57.07 55.79 2nu5 s TYR 118 Cb -0.12 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 2nu5 s TYR 118 CO 0.02 -0.96 0.24 -1.21 -2.51 0.00 0.00 175.55 171.13 2nu5 s GLU 119 N -3.80 4.15 -0.24 -3.49 2.02 -0.04 -4.90 118.70 112.40 2nu5 s GLU 119 Ca 0.04 -0.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.88 2nu5 s GLU 119 Cb -0.02 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2nu5 s GLU 119 CO -0.07 0.32 0.35 -1.14 0.02 0.00 0.00 175.26 174.74 2nu5 s GLN 120 N 0.23 4.09 0.00 1.61 2.00 -1.26 -1.25 119.66 125.08 2nu5 s GLN 120 Ca 0.14 0.06 0.14 0.00 -2.00 0.00 0.00 55.36 53.70 2nu5 s GLN 120 Cb -0.12 -3.59 0.11 0.00 0.80 0.00 0.00 33.01 30.21 2nu5 s GLN 120 CO 0.03 -0.12 0.94 0.66 -0.50 0.00 0.00 175.29 176.30