#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n08 s ALA 0 N 0.00 3.34 0.40 5.41 0.00 -1.26 -4.88 121.76 124.77 3n08 s ALA 0 Ca 0.00 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 3n08 s ALA 0 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3n08 s ALA 0 CO 0.00 -0.88 1.16 -0.12 0.00 0.00 0.00 175.76 175.92 3n08 n MET 1 N 0.23 1.71 -4.17 0.00 1.56 -1.24 -4.79 117.12 110.43 3n08 n MET 1 Ca 0.03 0.61 -0.18 0.00 -0.27 0.00 0.00 57.70 57.89 3n08 n MET 1 Cb 0.42 -2.22 -0.12 0.00 2.15 0.00 0.00 33.22 33.46 3n08 n MET 1 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3n08 s GLN 2 N -2.05 0.82 -0.13 2.12 -1.52 -0.22 -4.63 119.66 114.06 3n08 s GLN 2 Ca 0.61 -0.99 0.01 0.00 -1.95 0.00 0.00 55.36 53.03 3n08 s GLN 2 Cb -0.55 -0.77 0.02 0.00 -0.22 0.00 0.00 33.01 31.49 3n08 s GLN 2 CO 0.58 0.16 -0.13 -1.17 -0.25 0.00 0.00 175.29 174.48 3n08 s LEU 3 N -1.87 1.61 0.26 2.90 2.96 -1.26 -1.30 118.68 121.98 3n08 s LEU 3 Ca -0.01 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3n08 s LEU 3 Cb -0.09 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 3n08 s LEU 3 CO 0.02 -0.04 0.11 0.42 -1.32 0.00 0.00 176.35 175.54 3n08 s THR 4 N 1.34 0.42 -0.01 3.68 -4.23 -0.50 -4.39 115.64 111.95 3n08 s THR 4 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3n08 s THR 4 Cb -0.13 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.13 3n08 s THR 4 CO -0.07 0.00 0.01 -0.55 -0.54 0.00 0.00 174.62 173.47 3n08 s SER 5 N -3.30 0.08 0.00 3.99 0.15 -1.26 -0.43 113.70 112.93 3n08 s SER 5 Ca 0.38 0.01 0.15 0.00 0.70 0.00 0.00 55.95 57.19 3n08 s SER 5 Cb 0.07 -0.05 0.65 0.00 -1.71 0.00 0.00 66.02 64.99 3n08 s SER 5 CO 0.14 -0.07 1.46 0.00 1.20 0.00 0.00 173.24 175.97 3n08 n GLN 6 N 3.66 0.04 0.09 5.44 10.64 -1.26 -2.90 117.38 133.09 3n08 n GLN 6 Ca -0.20 0.23 0.11 0.00 -1.83 0.00 0.00 57.00 55.31 3n08 n GLN 6 Cb 0.55 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.40 3n08 n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3n08 n ALA 7 N -1.46 2.56 -3.61 2.61 0.00 -1.26 -4.96 120.51 114.39 3n08 n ALA 7 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 3n08 n ALA 7 Cb 0.16 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 3n08 n ALA 7 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3n08 s PHE 8 N -3.39 -0.59 0.63 0.00 -0.71 -1.14 -4.55 117.98 108.22 3n08 s PHE 8 Ca -0.02 1.35 -0.05 0.00 -1.04 0.00 0.00 56.93 57.17 3n08 s PHE 8 Cb 0.10 0.35 0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3n08 s PHE 8 CO 0.81 -0.34 0.93 0.45 -1.34 0.00 0.00 175.22 175.73 3n08 s SER 9 N -0.05 5.28 0.09 1.98 0.15 -1.26 -4.03 113.70 115.86 3n08 s SER 9 Ca -0.00 0.54 -0.34 0.00 0.70 0.00 0.00 55.95 56.85 3n08 s SER 9 Cb -0.04 -1.40 -0.14 0.00 -1.71 0.00 0.00 66.02 62.73 3n08 s SER 9 CO -0.01 -1.26 1.62 0.00 1.20 0.00 0.00 173.24 174.79 3n08 n TYR 10 N -2.67 2.19 -0.99 3.44 4.19 -1.26 -1.50 117.16 120.57 3n08 n TYR 10 Ca 0.06 0.26 0.00 0.00 3.31 0.00 0.00 57.90 61.53 3n08 n TYR 10 Cb 0.59 -2.54 0.00 0.00 0.49 0.00 0.00 39.34 37.88 3n08 n TYR 10 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3n08 n GLY 11 N 3.53 0.83 3.98 2.98 0.00 0.64 -4.97 105.19 112.17 3n08 n GLY 11 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3n08 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n08 s ARG 12 N -0.01 3.10 0.21 1.61 1.81 -0.56 -4.63 118.95 120.47 3n08 s ARG 12 Ca 0.00 -0.90 -0.30 0.00 -1.72 0.00 0.00 55.73 52.81 3n08 s ARG 12 Cb 0.00 -2.76 -0.09 0.00 -0.45 0.00 0.00 34.95 31.65 3n08 s ARG 12 CO 0.00 -0.02 1.35 -2.14 -0.68 0.00 0.00 175.30 173.82 3n08 s PRO 13 N -4.26 4.35 0.04 3.54 0.02 -1.26 -1.44 135.00 135.99 3n08 s PRO 13 Ca 0.46 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 3n08 s PRO 13 Cb -0.10 -3.17 -0.06 0.00 0.02 0.00 0.00 34.50 31.19 3n08 s PRO 13 CO 0.33 -0.32 1.33 0.42 -0.33 0.00 0.00 177.00 178.43 3n08 s ILE 14 N 0.17 3.73 0.69 2.83 1.01 0.79 -4.78 121.20 125.64 3n08 s ILE 14 Ca 0.58 1.18 -0.17 0.00 0.00 0.00 0.00 60.65 62.25 3n08 s ILE 14 Cb -0.38 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.34 3n08 s ILE 14 CO 0.39 0.05 1.21 -2.65 0.00 0.00 0.00 174.94 173.93 3n08 n PRO 15 N 4.62 0.79 -0.34 2.79 -0.02 -1.26 -4.86 135.00 136.73 3n08 n PRO 15 Ca 0.11 0.33 0.18 0.00 -2.02 0.00 0.00 63.50 62.11 3n08 n PRO 15 Cb 0.44 -2.45 0.41 0.00 -0.02 0.00 0.00 33.50 31.89 3n08 n PRO 15 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3n08 h LYS 16 N 0.07 0.54 0.00 -0.52 3.64 -1.96 -1.92 116.57 116.42 3n08 h LYS 16 Ca -0.49 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3n08 h LYS 16 Cb 1.33 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3n08 h LYS 16 CO 0.50 0.35 -0.02 1.57 -2.27 0.00 0.00 179.45 179.59 3n08 h LYS 17 N 0.55 0.00 -0.07 1.90 2.10 -1.92 -0.50 116.57 118.63 3n08 h LYS 17 Ca 0.62 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.27 3n08 h LYS 17 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3n08 h LYS 17 CO -0.40 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 177.73 3n08 n TYR 18 N -3.27 0.08 -3.52 0.07 4.01 -0.72 -0.80 117.16 113.00 3n08 n TYR 18 Ca -0.02 -0.04 -0.23 0.00 -0.16 0.00 0.00 57.90 57.45 3n08 n TYR 18 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3n08 n TYR 18 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3n08 s SER 19 N -1.88 4.91 0.52 7.72 1.04 -0.21 -4.16 113.70 121.64 3n08 s SER 19 Ca 0.35 -0.98 0.34 0.00 0.48 0.00 0.00 55.95 56.14 3n08 s SER 19 Cb 0.20 0.12 1.63 0.00 0.10 0.00 0.00 66.02 68.07 3n08 s SER 19 CO 0.31 -1.06 2.03 0.00 0.98 0.00 0.00 173.24 175.50 3n08 n GLN 21 N -2.86 0.04 0.00 0.00 6.02 -1.26 -4.82 117.38 114.50 3n08 n GLN 21 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3n08 n GLN 21 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3n08 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n08 n GLY 22 N 1.12 5.65 0.26 1.08 0.00 -0.86 -4.95 105.19 107.49 3n08 n GLY 22 Ca 0.07 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.43 3n08 n GLY 22 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3n08 h VAL 23 N 0.00 0.75 0.00 1.61 3.04 -1.75 -3.46 116.25 116.44 3n08 h VAL 23 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3n08 h VAL 23 Cb 0.00 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3n08 h VAL 23 CO 0.00 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.28 3n08 n GLY 24 N -0.94 0.47 3.87 3.17 0.00 0.02 -5.01 105.19 106.77 3n08 n GLY 24 Ca -0.02 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3n08 n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3n08 s ILE 25 N -2.00 4.40 0.45 -0.61 -4.36 -1.17 -4.55 121.20 113.36 3n08 s ILE 25 Ca 0.00 0.78 -0.24 0.00 -0.26 0.00 0.00 60.65 60.93 3n08 s ILE 25 Cb 0.00 -3.77 -0.08 0.00 1.25 0.00 0.00 42.46 39.87 3n08 s ILE 25 CO 0.00 -1.02 1.26 -0.94 0.24 0.00 0.00 174.94 174.48 3n08 s SER 26 N -4.22 6.09 0.57 4.36 1.04 -1.26 -4.35 113.70 115.92 3n08 s SER 26 Ca 0.56 2.55 -0.15 0.00 0.48 0.00 0.00 55.95 59.38 3n08 s SER 26 Cb -0.11 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 3n08 s SER 26 CO 0.53 -0.99 1.02 -2.16 0.98 0.00 0.00 173.24 172.63 3n08 s PRO 27 N -2.50 3.60 0.39 4.02 0.04 -1.26 -0.88 135.00 138.40 3n08 s PRO 27 Ca 0.62 1.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 3n08 s PRO 27 Cb -0.35 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 3n08 s PRO 27 CO 0.44 -0.57 1.38 -1.25 0.04 0.00 0.00 177.00 177.04 3n08 s PRO 28 N -4.20 4.06 0.02 0.56 0.04 -1.26 -4.56 135.00 129.65 3n08 s PRO 28 Ca 0.61 2.34 0.01 0.00 0.04 0.00 0.00 61.00 64.00 3n08 s PRO 28 Cb -0.13 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3n08 s PRO 28 CO 0.37 -0.48 -0.05 -0.51 0.04 0.00 0.00 177.00 176.36 3n08 s LEU 29 N -2.22 2.13 -0.01 -3.56 1.43 -0.51 -4.31 118.68 111.63 3n08 s LEU 29 Ca 0.54 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3n08 s LEU 29 Cb -0.42 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 3n08 s LEU 29 CO 0.55 -0.10 -0.14 -0.44 0.23 0.00 0.00 176.35 176.46 3n08 s SER 30 N -0.80 1.63 -0.13 2.29 0.01 0.43 -0.41 113.70 116.71 3n08 s SER 30 Ca -0.05 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 3n08 s SER 30 Cb -0.06 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 3n08 s SER 30 CO -0.00 0.17 -0.07 -0.36 0.41 0.00 0.00 173.24 173.39 3n08 s PHE 31 N -0.31 2.95 0.06 2.43 0.08 -0.78 -1.40 117.98 121.00 3n08 s PHE 31 Ca 0.05 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.81 3n08 s PHE 31 Cb -0.05 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3n08 s PHE 31 CO -0.00 -0.02 -0.13 -1.54 -0.10 0.00 0.00 175.22 173.43 3n08 s SER 32 N 0.15 1.51 -1.41 1.36 1.04 -0.42 -4.67 113.70 111.26 3n08 s SER 32 Ca -0.03 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 3n08 s SER 32 Cb -0.14 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 65.98 3n08 s SER 32 CO 0.03 -0.09 1.06 0.47 0.98 0.00 0.00 173.24 175.70 3n08 n ASP 33 N 1.41 -5.05 -4.72 7.02 8.00 -1.26 -1.05 116.55 120.90 3n08 n ASP 33 Ca -0.21 -0.66 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 3n08 n ASP 33 Cb 0.54 -4.54 -0.03 0.00 -0.02 0.00 0.00 41.12 37.08 3n08 n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n08 s VAL 34 N -3.34 3.08 0.54 2.53 1.01 -1.26 -3.59 120.40 119.36 3n08 s VAL 34 Ca 0.52 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 3n08 s VAL 34 Cb -0.25 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3n08 s VAL 34 CO 0.77 0.06 1.36 -2.65 0.00 0.00 0.00 175.10 174.65 3n08 n PRO 35 N 3.91 1.74 -0.16 2.72 -0.02 -1.26 -4.86 135.00 137.06 3n08 n PRO 35 Ca 0.12 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.39 3n08 n PRO 35 Cb 0.41 -2.57 0.50 0.00 -0.02 0.00 0.00 33.50 31.82 3n08 n PRO 35 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3n08 h ARG 36 N 1.51 0.41 0.00 -0.52 2.43 -2.00 -1.44 114.38 114.77 3n08 h ARG 36 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3n08 h ARG 36 Cb 1.30 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3n08 h ARG 36 CO 0.57 0.27 0.00 0.39 -1.51 0.00 0.00 179.97 179.69 3n08 n GLU 37 N -4.48 0.08 -2.11 0.20 4.71 -1.26 -4.83 120.64 112.94 3n08 n GLU 37 Ca 0.14 0.14 -0.41 0.00 -0.01 0.00 0.00 57.16 57.02 3n08 n GLU 37 Cb 0.52 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.43 3n08 n GLU 37 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3n08 s ALA 38 N -2.89 3.56 -0.21 0.62 0.00 -0.54 -4.59 121.76 117.71 3n08 s ALA 38 Ca 0.12 1.23 0.15 0.00 0.00 0.00 0.00 51.96 53.47 3n08 s ALA 38 Cb 0.13 -3.51 -0.22 0.00 0.00 0.00 0.00 23.12 19.53 3n08 s ALA 38 CO 0.35 -0.64 0.42 1.63 0.00 0.00 0.00 175.76 177.52 3n08 n LYS 39 N 2.07 0.91 -3.63 0.00 4.76 0.43 -4.82 118.16 117.89 3n08 n LYS 39 Ca 0.05 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.29 3n08 n LYS 39 Cb 0.41 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 3n08 n LYS 39 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3n08 s SER 40 N -3.40 -0.37 0.17 4.39 1.04 -1.17 -4.37 113.70 109.99 3n08 s SER 40 Ca -0.03 -0.30 0.11 0.00 0.48 0.00 0.00 55.95 56.21 3n08 s SER 40 Cb 0.10 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3n08 s SER 40 CO 0.63 -1.05 -0.24 -0.76 0.98 0.00 0.00 173.24 172.80 3n08 s LEU 41 N -2.83 2.43 -0.01 2.42 1.43 -0.20 -1.22 118.68 120.69 3n08 s LEU 41 Ca 0.06 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 3n08 s LEU 41 Cb -0.01 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3n08 s LEU 41 CO -0.06 0.14 -0.15 -0.69 0.23 0.00 0.00 176.35 175.82 3n08 s VAL 42 N -1.43 1.17 -0.09 -1.59 1.01 0.21 -1.60 120.40 118.08 3n08 s VAL 42 Ca 0.18 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3n08 s VAL 42 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3n08 s VAL 42 CO 0.09 0.33 -0.20 -0.22 0.00 0.00 0.00 175.10 175.10 3n08 s LEU 43 N -0.36 1.93 -0.09 3.92 2.96 0.34 -0.70 118.68 126.67 3n08 s LEU 43 Ca 0.06 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3n08 s LEU 43 Cb -0.06 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.46 3n08 s LEU 43 CO -0.01 0.12 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 3n08 s ILE 44 N 0.45 1.16 -0.11 6.68 1.01 -0.22 -0.93 121.20 129.24 3n08 s ILE 44 Ca -0.17 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3n08 s ILE 44 Cb -0.17 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3n08 s ILE 44 CO 0.07 0.38 -0.23 -0.69 0.00 0.00 0.00 174.94 174.47 3n08 s VAL 45 N 1.12 2.12 0.12 2.92 1.01 -0.12 -0.51 120.40 127.06 3n08 s VAL 45 Ca -0.06 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 3n08 s VAL 45 Cb -0.14 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3n08 s VAL 45 CO -0.02 0.55 0.31 -1.83 0.00 0.00 0.00 175.10 174.11 3n08 s GLU 46 N 0.48 1.00 -0.29 2.72 -1.05 -0.08 -0.24 118.70 121.24 3n08 s GLU 46 Ca -0.15 -0.88 0.03 0.00 -0.15 0.00 0.00 54.97 53.82 3n08 s GLU 46 Cb -0.17 0.41 0.08 0.00 -0.44 0.00 0.00 34.13 34.01 3n08 s GLU 46 CO 0.06 -0.36 -0.02 0.34 0.95 0.00 0.00 175.26 176.22 3n08 s ASP 47 N -2.85 4.47 0.00 0.83 2.15 0.37 -0.87 116.67 120.77 3n08 s ASP 47 Ca 0.06 -1.70 0.19 0.00 0.43 0.00 0.00 52.55 51.53 3n08 s ASP 47 Cb 0.03 -1.49 0.96 0.00 -0.30 0.00 0.00 42.92 42.13 3n08 s ASP 47 CO -0.10 -0.29 1.64 -0.81 -0.17 0.00 0.00 175.17 175.45 3n08 n PRO 48 N 4.42 1.30 -0.32 4.34 -0.04 -1.26 -1.56 135.00 141.87 3n08 n PRO 48 Ca -0.05 -0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.04 3n08 n PRO 48 Cb 0.42 -1.33 0.23 0.00 -0.04 0.00 0.00 33.50 32.78 3n08 n PRO 48 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3n08 n ASP 49 N -0.34 3.56 -4.74 3.54 8.00 -1.26 -4.70 116.55 120.62 3n08 n ASP 49 Ca 0.15 -2.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.01 3n08 n ASP 49 Cb 0.17 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 3n08 n ASP 49 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3n08 n VAL 50 N 0.69 1.64 -1.68 2.53 3.14 -1.23 -4.85 118.33 118.56 3n08 n VAL 50 Ca 0.18 -0.41 -0.44 0.00 -2.96 0.00 0.00 64.34 60.70 3n08 n VAL 50 Cb 0.60 -1.81 -0.04 0.00 -1.06 0.00 0.00 33.84 31.54 3n08 n VAL 50 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3n08 n PRO 51 N 1.07 2.53 0.20 1.45 -0.04 -1.26 -4.83 135.00 134.12 3n08 n PRO 51 Ca 0.05 0.92 0.14 0.00 -0.04 0.00 0.00 63.50 64.58 3n08 n PRO 51 Cb 0.37 -2.78 0.66 0.00 -0.04 0.00 0.00 33.50 31.71 3n08 n PRO 51 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3n08 h PRO 52 N 8.16 0.00 0.00 0.54 0.13 -1.89 -0.08 132.00 138.86 3n08 h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3n08 h PRO 52 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3n08 h PRO 52 CO 0.94 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.37 3n08 h SER 53 N 0.00 0.00 0.05 1.44 4.64 -1.95 -3.15 113.55 114.57 3n08 h SER 53 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3n08 h SER 53 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 3n08 h SER 53 CO 0.00 0.00 -2.25 0.52 -0.87 0.00 0.00 176.83 174.23 3n08 n VAL 54 N -3.02 1.60 -3.72 0.95 0.31 -0.11 -4.87 118.33 109.46 3n08 n VAL 54 Ca 0.01 -0.56 -0.29 0.00 -0.01 0.00 0.00 64.34 63.49 3n08 n VAL 54 Cb 0.29 -1.60 -0.16 0.00 -0.91 0.00 0.00 33.84 31.46 3n08 n VAL 54 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3n08 s ARG 55 N -2.52 0.67 0.28 5.55 6.06 -0.80 -5.03 118.95 123.14 3n08 s ARG 55 Ca -0.30 -0.65 -0.01 0.00 -2.50 0.00 0.00 55.73 52.26 3n08 s ARG 55 Cb 0.08 -2.01 0.44 0.00 0.06 0.00 0.00 34.95 33.53 3n08 s ARG 55 CO 0.65 -0.78 1.89 1.49 -2.50 0.00 0.00 175.30 176.06 3n08 h GLU 56 N 8.20 1.10 0.00 5.12 4.81 -1.85 -1.44 114.58 130.53 3n08 h GLU 56 Ca -0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3n08 h GLU 56 Cb 1.08 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3n08 h GLU 56 CO 0.39 0.73 0.00 -0.40 -0.73 0.00 0.00 179.01 179.00 3n08 n ASP 57 N -4.49 0.00 -0.73 1.04 5.68 -1.26 -4.90 116.55 111.88 3n08 n ASP 57 Ca 0.15 -0.87 -0.10 0.00 -0.50 0.00 0.00 54.79 53.48 3n08 n ASP 57 Cb 0.19 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 3n08 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n08 n GLY 58 N 0.95 1.11 2.82 6.12 0.00 -0.54 -4.99 105.19 110.66 3n08 n GLY 58 Ca 0.22 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 3n08 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3n08 s LEU 59 N -2.16 -0.07 -0.22 0.99 2.96 -1.26 -4.24 118.68 114.68 3n08 s LEU 59 Ca 0.00 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3n08 s LEU 59 Cb 0.00 0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.95 3n08 s LEU 59 CO 0.00 -0.26 -0.03 0.86 -1.32 0.00 0.00 176.35 175.60 3n08 s TRP 60 N 2.29 2.97 -0.11 5.38 -0.11 -0.60 -4.94 118.94 123.83 3n08 s TRP 60 Ca 0.03 -0.85 -0.26 0.00 1.22 0.00 0.00 56.10 56.24 3n08 s TRP 60 Cb -0.13 -2.11 -0.02 0.00 -1.50 0.00 0.00 33.47 29.71 3n08 s TRP 60 CO -0.07 -0.51 0.86 0.42 -4.62 0.00 0.00 176.95 173.03 3n08 s ILE 61 N 1.45 4.90 -0.09 5.86 1.09 -1.26 -0.48 121.20 132.67 3n08 s ILE 61 Ca 0.05 1.73 0.21 0.00 -1.10 0.00 0.00 60.65 61.54 3n08 s ILE 61 Cb -0.14 -4.18 -0.29 0.00 -1.06 0.00 0.00 42.46 36.79 3n08 s ILE 61 CO -0.02 0.09 0.43 1.41 -0.10 0.00 0.00 174.94 176.75 3n08 n HIS 62 N 4.67 0.09 -3.64 3.97 8.25 0.66 -1.54 115.22 127.69 3n08 n HIS 62 Ca 0.04 0.03 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 3n08 n HIS 62 Cb 0.50 -0.67 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 3n08 n HIS 62 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3n08 s TRP 63 N -3.24 -0.79 -0.08 4.41 -0.00 -1.10 -1.23 118.94 116.92 3n08 s TRP 63 Ca -0.08 1.73 0.01 0.00 -0.00 0.00 0.00 56.10 57.76 3n08 s TRP 63 Cb 0.12 0.42 0.02 0.00 -0.00 0.00 0.00 33.47 34.02 3n08 s TRP 63 CO 0.88 -0.38 -0.08 0.42 -0.00 0.00 0.00 176.95 177.79 3n08 s ILE 64 N 0.89 0.91 -0.03 5.86 1.01 -1.26 -0.94 121.20 127.65 3n08 s ILE 64 Ca -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3n08 s ILE 64 Cb -0.05 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3n08 s ILE 64 CO -0.09 0.33 -0.08 -0.69 0.00 0.00 0.00 174.94 174.40 3n08 s VAL 65 N 1.21 0.73 0.21 2.92 1.01 -0.10 -0.87 120.40 125.50 3n08 s VAL 65 Ca -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3n08 s VAL 65 Cb -0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3n08 s VAL 65 CO -0.02 0.24 0.12 -0.72 0.00 0.00 0.00 175.10 174.72 3n08 s TYR 66 N 0.31 1.21 -1.70 5.22 1.13 0.11 -0.51 117.35 123.12 3n08 s TYR 66 Ca -0.05 -1.34 -0.01 0.00 -1.41 0.00 0.00 57.07 54.27 3n08 s TYR 66 Cb -0.09 -0.61 0.00 0.00 -1.10 0.00 0.00 41.96 40.15 3n08 s TYR 66 CO 0.01 -0.58 0.10 0.09 -2.51 0.00 0.00 175.55 172.66 3n08 n ASN 67 N -0.29 -5.81 -4.76 -0.18 3.02 -1.06 -0.92 115.26 105.24 3n08 n ASN 67 Ca 0.01 -0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.12 3n08 n ASN 67 Cb 0.66 -4.82 0.01 0.00 -0.61 0.00 0.00 39.78 35.02 3n08 n ASN 67 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n08 s LEU 68 N -6.13 4.07 0.35 3.41 1.43 -0.63 -4.61 118.68 116.58 3n08 s LEU 68 Ca 0.05 2.72 -0.29 0.00 -1.03 0.00 0.00 54.13 55.59 3n08 s LEU 68 Cb -0.02 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 3n08 s LEU 68 CO 0.07 -1.14 1.50 -0.24 0.23 0.00 0.00 176.35 176.77 3n08 n SER 69 N -0.33 3.72 0.06 2.29 2.88 -1.26 -1.04 113.62 119.94 3n08 n SER 69 Ca 0.06 1.20 0.09 0.00 -1.33 0.00 0.00 58.87 58.90 3n08 n SER 69 Cb 0.44 -1.60 0.40 0.00 -0.75 0.00 0.00 64.21 62.70 3n08 n SER 69 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3n08 n PRO 70 N 0.94 0.10 -0.63 -1.46 -0.04 -1.26 -1.71 135.00 130.93 3n08 n PRO 70 Ca 0.04 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 3n08 n PRO 70 Cb 0.38 -1.68 0.32 0.00 -0.04 0.00 0.00 33.50 32.48 3n08 n PRO 70 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3n08 n VAL 71 N -1.86 2.46 0.02 0.52 0.24 -1.26 -4.69 118.33 113.76 3n08 n VAL 71 Ca 0.03 -1.66 0.08 0.00 -2.04 0.00 0.00 64.34 60.75 3n08 n VAL 71 Cb 0.20 -0.24 0.50 0.00 -1.47 0.00 0.00 33.84 32.83 3n08 n VAL 71 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3n08 h VAL 72 N 2.76 1.01 0.00 3.34 3.04 -1.70 -3.45 116.25 121.25 3n08 h VAL 72 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 3n08 h VAL 72 Cb 1.66 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 3n08 h VAL 72 CO 0.33 0.07 0.00 -1.20 -1.01 0.00 0.00 177.57 175.76 3n08 n SER 73 N -4.48 0.00 -3.49 3.17 7.64 -1.26 -4.75 113.62 110.45 3n08 n SER 73 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.77 3n08 n SER 73 Cb 0.18 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 3n08 n SER 73 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3n08 s ASN 74 N 0.00 -0.61 -0.21 6.43 2.20 -1.26 -1.87 114.94 119.62 3n08 s ASN 74 Ca 0.00 0.40 -0.04 0.00 -0.94 0.00 0.00 52.86 52.28 3n08 s ASN 74 Cb 0.00 0.56 -0.01 0.00 -2.00 0.00 0.00 41.25 39.80 3n08 s ASN 74 CO 0.00 -0.76 -0.05 -0.76 -2.94 0.00 0.00 177.10 172.59 3n08 s LEU 75 N -1.85 2.90 0.79 3.54 1.43 0.45 -4.99 118.68 120.94 3n08 s LEU 75 Ca -0.06 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3n08 s LEU 75 Cb -0.00 -1.73 0.07 0.00 0.03 0.00 0.00 46.19 44.55 3n08 s LEU 75 CO 0.00 0.01 1.09 0.00 0.23 0.00 0.00 176.35 177.68 3n08 s ALA 76 N 1.32 2.16 0.24 4.21 0.00 -1.26 -1.42 121.76 127.01 3n08 s ALA 76 Ca 0.04 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 3n08 s ALA 76 Cb -0.14 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 3n08 s ALA 76 CO -0.02 -1.82 1.48 -0.85 0.00 0.00 0.00 175.76 174.55 3n08 n GLU 77 N -3.54 2.24 -2.01 0.00 0.28 -1.26 -1.62 120.64 114.73 3n08 n GLU 77 Ca 0.08 0.80 -0.19 0.00 -0.16 0.00 0.00 57.16 57.69 3n08 n GLU 77 Cb 0.54 -2.50 -0.04 0.00 1.43 0.00 0.00 31.44 30.86 3n08 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n08 n GLY 78 N 2.33 0.54 3.76 -1.84 0.00 -0.06 -4.90 105.19 105.02 3n08 n GLY 78 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3n08 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n08 s ALA 79 N -2.77 2.98 0.20 4.61 0.00 -0.64 -4.91 121.76 121.23 3n08 s ALA 79 Ca 0.00 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 3n08 s ALA 79 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3n08 s ALA 79 CO 0.00 -1.22 1.57 -1.14 0.00 0.00 0.00 175.76 174.97 3n08 s GLN 80 N -2.71 4.20 -0.26 0.00 0.74 -1.26 -4.99 119.66 115.38 3n08 s GLN 80 Ca 0.67 2.41 -0.10 0.00 0.05 0.00 0.00 55.36 58.39 3n08 s GLN 80 Cb -0.40 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 3n08 s GLN 80 CO 0.49 -0.60 0.16 0.42 -0.55 0.00 0.00 175.29 175.21 3n08 s ILE 81 N 0.85 5.10 -1.03 -2.34 -1.09 -1.26 -5.00 121.20 116.44 3n08 s ILE 81 Ca 0.68 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 59.17 3n08 s ILE 81 Cb -0.45 -3.41 0.29 0.00 -1.58 0.00 0.00 42.46 37.31 3n08 s ILE 81 CO 0.35 0.29 1.30 0.49 -1.23 0.00 0.00 174.94 176.14 3n08 n PHE 82 N 4.85 3.02 -3.74 3.97 3.72 -1.26 -4.88 117.46 123.13 3n08 n PHE 82 Ca -0.15 -3.07 -0.01 0.00 -0.05 0.00 0.00 57.45 54.18 3n08 n PHE 82 Cb 0.52 -1.24 0.01 0.00 -0.94 0.00 0.00 39.48 37.83 3n08 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n08 n ALA 83 N 1.54 -1.48 -2.78 4.37 0.00 -1.26 -4.59 120.51 116.31 3n08 n ALA 83 Ca 0.26 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.87 3n08 n ALA 83 Cb 0.35 0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 3n08 n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n08 s VAL 84 N -2.25 5.04 -0.11 0.00 1.01 -0.10 -4.96 120.40 119.03 3n08 s VAL 84 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3n08 s VAL 84 Cb -0.01 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3n08 s VAL 84 CO 0.02 0.42 0.18 -1.10 0.00 0.00 0.00 175.10 174.62 3n08 s GLN 85 N 0.59 3.55 0.00 2.72 -0.21 -1.26 -0.71 119.66 124.33 3n08 s GLN 85 Ca 0.05 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.37 3n08 s GLN 85 Cb -0.12 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.68 3n08 s GLN 85 CO 0.01 0.74 0.00 0.41 -2.12 0.00 0.00 175.29 174.33 3n08 n GLY 86 N 2.06 2.56 3.73 3.09 0.00 -0.05 -4.72 105.19 111.86 3n08 n GLY 86 Ca -0.19 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 3n08 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n08 s LEU 87 N 0.00 4.37 0.79 0.99 1.43 0.16 -2.47 118.68 123.96 3n08 s LEU 87 Ca 0.00 1.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.30 3n08 s LEU 87 Cb 0.00 -3.11 0.14 0.00 0.03 0.00 0.00 46.19 43.25 3n08 s LEU 87 CO 0.00 -0.05 1.10 0.54 0.23 0.00 0.00 176.35 178.18 3n08 s ASN 88 N 0.40 4.04 0.43 2.29 2.20 -0.03 -4.56 114.94 119.71 3n08 s ASN 88 Ca 0.37 -0.01 0.28 0.00 -0.94 0.00 0.00 52.86 52.57 3n08 s ASN 88 Cb -0.19 -0.32 0.98 0.00 -2.00 0.00 0.00 41.25 39.72 3n08 s ASN 88 CO 0.20 -2.09 1.82 0.74 -2.94 0.00 0.00 177.10 174.82 3n08 h THR 89 N -0.90 0.00 0.00 0.54 2.02 -1.60 -0.97 112.91 112.00 3n08 h THR 89 Ca -0.40 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3n08 h THR 89 Cb 1.27 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 3n08 h THR 89 CO 0.43 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.32 3n08 n ALA 90 N -2.00 1.64 -0.51 6.16 0.00 -1.26 -4.89 120.51 119.64 3n08 n ALA 90 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3n08 n ALA 90 Cb 0.36 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3n08 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n08 n GLY 91 N -0.06 0.73 3.54 0.00 0.00 -0.37 -5.07 105.19 103.96 3n08 n GLY 91 Ca 0.03 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3n08 n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n08 s GLU 92 N -0.59 1.93 0.27 1.61 0.41 -1.26 -4.88 118.70 116.20 3n08 s GLU 92 Ca 0.00 -1.61 -0.29 0.00 -0.41 0.00 0.00 54.97 52.66 3n08 s GLU 92 Cb 0.00 -1.94 -0.09 0.00 -1.78 0.00 0.00 34.13 30.32 3n08 s GLU 92 CO 0.00 0.35 0.99 0.42 -0.49 0.00 0.00 175.26 176.52 3n08 s ILE 93 N -2.40 3.92 0.00 -1.63 -1.09 -1.26 -0.85 121.20 117.90 3n08 s ILE 93 Ca 0.30 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.59 3n08 s ILE 93 Cb -0.06 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 3n08 s ILE 93 CO 0.17 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3n08 n GLY 94 N 1.22 -1.79 3.71 6.18 0.00 -1.03 -4.91 105.19 108.57 3n08 n GLY 94 Ca -0.01 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 3n08 n GLY 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n08 s TYR 95 N 0.00 3.63 -0.12 1.61 5.04 -1.26 -4.49 117.35 121.76 3n08 s TYR 95 Ca 0.00 1.58 0.03 0.00 -2.44 0.00 0.00 57.07 56.24 3n08 s TYR 95 Cb 0.00 -3.05 0.00 0.00 0.35 0.00 0.00 41.96 39.26 3n08 s TYR 95 CO 0.00 -0.00 -0.22 0.00 -1.34 0.00 0.00 175.55 173.99 3n08 s PRO 97 N 0.54 3.09 0.19 0.00 0.04 -1.26 -4.75 135.00 132.84 3n08 s PRO 97 Ca -0.14 1.40 -0.32 0.00 0.04 0.00 0.00 61.00 61.98 3n08 s PRO 97 Cb -0.17 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 3n08 s PRO 97 CO 0.04 -1.02 1.14 -2.30 0.04 0.00 0.00 177.00 174.90 3n08 n PRO 98 N -2.00 1.18 -2.85 0.56 -0.02 -1.26 -4.55 135.00 126.07 3n08 n PRO 98 Ca 0.10 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3n08 n PRO 98 Cb 0.52 -1.90 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3n08 n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n08 s PRO 100 N -0.74 4.34 0.21 0.00 0.04 -1.26 -4.91 135.00 132.68 3n08 s PRO 100 Ca 0.27 1.88 0.19 0.00 0.04 0.00 0.00 61.00 63.39 3n08 s PRO 100 Cb 0.33 -3.44 0.02 0.00 0.04 0.00 0.00 34.50 31.45 3n08 s PRO 100 CO -0.06 -0.43 1.14 -1.00 0.04 0.00 0.00 177.00 176.69 3n08 h PRO 101 N 7.27 0.00 0.00 0.56 0.13 -1.98 -3.41 132.00 134.57 3n08 h PRO 101 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3n08 h PRO 101 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3n08 h PRO 101 CO 0.86 0.20 -1.01 -0.40 -0.23 0.00 0.00 178.00 177.42 3n08 n ASP 102 N -2.93 3.53 -3.84 1.44 5.75 -1.26 -5.04 116.55 114.20 3n08 n ASP 102 Ca -0.02 -0.09 0.03 0.00 -0.01 0.00 0.00 54.79 54.70 3n08 n ASP 102 Cb 0.68 1.14 0.01 0.00 -1.03 0.00 0.00 41.12 41.92 3n08 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n08 s ALA 103 N -2.12 -2.58 -0.13 2.12 0.00 -1.26 -5.13 121.76 112.67 3n08 s ALA 103 Ca -0.01 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 3n08 s ALA 103 Cb 0.02 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 3n08 s ALA 103 CO 0.15 -1.14 1.16 0.21 0.00 0.00 0.00 175.76 176.15 3n08 s LYS 104 N -2.05 4.31 0.17 0.00 2.20 -1.26 -4.69 119.74 118.42 3n08 s LYS 104 Ca 0.27 1.57 0.06 0.00 -0.36 0.00 0.00 55.97 57.52 3n08 s LYS 104 Cb 0.01 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3n08 s LYS 104 CO -0.03 -0.54 0.08 -1.01 -0.36 0.00 0.00 175.35 173.49 3n08 s HIS 105 N 2.74 3.01 -0.17 4.03 3.76 -0.35 -4.94 115.29 123.37 3n08 s HIS 105 Ca 0.52 -0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.26 3n08 s HIS 105 Cb -0.21 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 3n08 s HIS 105 CO 0.16 0.52 0.18 1.03 -0.85 0.00 0.00 174.74 175.78 3n08 s ARG 106 N -3.05 4.05 -0.25 1.40 0.52 -1.26 -1.46 118.95 118.90 3n08 s ARG 106 Ca 0.29 -0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.37 3n08 s ARG 106 Cb -0.10 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 32.02 3n08 s ARG 106 CO 0.21 0.39 -0.05 0.71 0.02 0.00 0.00 175.30 176.59 3n08 s TYR 107 N 0.06 3.05 -0.15 -0.53 2.02 0.52 -4.01 117.35 118.30 3n08 s TYR 107 Ca 0.12 -1.38 -0.13 0.00 -0.37 0.00 0.00 57.07 55.30 3n08 s TYR 107 Cb -0.12 -2.08 -0.05 0.00 -0.40 0.00 0.00 41.96 39.31 3n08 s TYR 107 CO 0.01 -0.68 0.28 0.71 -1.57 0.00 0.00 175.55 174.30 3n08 s TYR 108 N 1.37 3.48 -0.28 2.71 2.02 -0.05 -1.70 117.35 124.90 3n08 s TYR 108 Ca 0.02 0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 57.27 3n08 s TYR 108 Cb -0.16 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 3n08 s TYR 108 CO -0.04 0.29 0.01 -0.06 -1.57 0.00 0.00 175.55 174.18 3n08 s PHE 109 N 0.30 3.13 -0.18 2.71 0.40 0.76 -0.90 117.98 124.21 3n08 s PHE 109 Ca 0.16 -1.35 -0.03 0.00 -0.60 0.00 0.00 56.93 55.11 3n08 s PHE 109 Cb -0.13 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 3n08 s PHE 109 CO 0.04 -0.68 -0.05 0.71 0.70 0.00 0.00 175.22 175.94 3n08 s TYR 110 N 1.39 2.97 -0.10 0.36 2.02 0.34 -0.93 117.35 123.40 3n08 s TYR 110 Ca 0.00 -0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3n08 s TYR 110 Cb -0.17 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 3n08 s TYR 110 CO -0.01 -0.24 -0.01 0.00 -1.57 0.00 0.00 175.55 173.71 3n08 s ALA 111 N 0.78 3.19 -0.07 3.71 0.00 0.07 -1.06 121.76 128.39 3n08 s ALA 111 Ca -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3n08 s ALA 111 Cb -0.15 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3n08 s ALA 111 CO 0.02 0.49 -0.13 0.71 0.00 0.00 0.00 175.76 176.85 3n08 s TYR 112 N -0.57 1.54 -0.09 0.00 2.02 0.12 -0.83 117.35 119.54 3n08 s TYR 112 Ca 0.09 -0.58 -0.17 0.00 -0.37 0.00 0.00 57.07 56.04 3n08 s TYR 112 Cb -0.12 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 3n08 s TYR 112 CO 0.02 -0.29 0.44 0.00 -1.57 0.00 0.00 175.55 174.15 3n08 s ALA 113 N 0.67 3.55 0.17 3.71 0.00 -0.08 -0.62 121.76 129.16 3n08 s ALA 113 Ca -0.14 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 51.69 3n08 s ALA 113 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3n08 s ALA 113 CO 0.04 0.15 -0.11 -0.51 0.00 0.00 0.00 175.76 175.32 3n08 s LEU 114 N 0.10 2.92 -0.04 0.00 1.43 -0.36 -0.44 118.68 122.28 3n08 s LEU 114 Ca 0.24 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3n08 s LEU 114 Cb -0.15 -1.63 0.38 0.00 0.03 0.00 0.00 46.19 44.82 3n08 s LEU 114 CO 0.11 0.12 1.25 -0.90 0.23 0.00 0.00 176.35 177.15 3n08 n ASP 115 N 0.16 2.61 -4.09 2.29 5.75 -0.40 -0.42 116.55 122.45 3n08 n ASP 115 Ca -0.11 -2.18 -0.10 0.00 -0.01 0.00 0.00 54.79 52.39 3n08 n ASP 115 Cb 0.55 -0.38 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 3n08 n ASP 115 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3n08 s VAL 116 N -1.64 0.03 -0.20 2.12 -7.23 -1.26 -4.64 120.40 107.58 3n08 s VAL 116 Ca 0.27 -1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 3n08 s VAL 116 Cb 0.17 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3n08 s VAL 116 CO 0.15 -0.14 0.10 -0.69 -0.31 0.00 0.00 175.10 174.21 3n08 s VAL 117 N -4.07 5.15 0.65 1.32 1.01 -1.26 -3.70 120.40 119.50 3n08 s VAL 117 Ca 0.28 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 3n08 s VAL 117 Cb 0.04 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3n08 s VAL 117 CO 0.07 0.44 0.99 -0.76 0.00 0.00 0.00 175.10 175.85 3n08 s LEU 118 N 0.41 3.05 0.40 3.92 1.43 -1.26 -5.02 118.68 121.61 3n08 s LEU 118 Ca 0.06 0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 53.74 3n08 s LEU 118 Cb -0.12 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.38 3n08 s LEU 118 CO -0.01 -1.24 1.33 -0.55 0.23 0.00 0.00 176.35 176.11 3n08 s SER 119 N -4.35 6.31 -0.45 2.29 0.15 -1.26 -4.95 113.70 111.44 3n08 s SER 119 Ca 0.56 2.72 -0.29 0.00 0.70 0.00 0.00 55.95 59.65 3n08 s SER 119 Cb -0.11 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 3n08 s SER 119 CO 0.48 -0.86 1.40 -0.62 1.20 0.00 0.00 173.24 174.84 3n08 s ASP 120 N -0.64 6.30 0.08 5.45 2.15 -1.26 -5.00 116.67 123.75 3n08 s ASP 120 Ca 0.56 0.68 0.01 0.00 0.43 0.00 0.00 52.55 54.23 3n08 s ASP 120 Cb -0.40 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.64 3n08 s ASP 120 CO 0.51 -1.49 -0.06 -1.61 -0.17 0.00 0.00 175.17 172.36 3n08 s GLU 121 N 5.04 0.72 0.07 4.34 0.41 -1.26 -5.16 118.70 122.87 3n08 s GLU 121 Ca 0.59 -1.21 -0.03 0.00 -0.41 0.00 0.00 54.97 53.91 3n08 s GLU 121 Cb -0.12 -0.10 -0.05 0.00 -1.78 0.00 0.00 34.13 32.08 3n08 s GLU 121 CO 0.31 -0.03 0.26 -1.21 -0.49 0.00 0.00 175.26 174.10 3n08 s GLU 122 N -3.48 3.51 -1.17 1.61 2.02 -1.26 -4.57 118.70 115.36 3n08 s GLU 122 Ca 0.07 -0.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 3n08 s GLU 122 Cb 0.03 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3n08 s GLU 122 CO -0.05 0.58 0.46 0.41 0.02 0.00 0.00 175.26 176.68 3n08 n GLY 123 N 0.40 -0.22 3.70 -1.39 0.00 -1.26 -4.93 105.19 101.49 3n08 n GLY 123 Ca -0.06 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3n08 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n08 s VAL 124 N -3.02 4.27 0.43 1.61 1.01 -1.26 -4.72 120.40 118.73 3n08 s VAL 124 Ca 0.23 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 3n08 s VAL 124 Cb -0.10 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3n08 s VAL 124 CO 0.28 0.07 0.67 0.42 0.00 0.00 0.00 175.10 176.54 3n08 s THR 125 N 1.59 4.40 0.22 3.92 -4.23 -1.26 -0.66 115.64 119.61 3n08 s THR 125 Ca 0.56 -0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 3n08 s THR 125 Cb -0.26 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.12 3n08 s THR 125 CO 0.25 -0.47 1.73 0.50 -0.54 0.00 0.00 174.62 176.09 3n08 h LYS 126 N 0.44 0.35 -0.51 3.99 3.64 -1.96 -1.02 116.57 121.50 3n08 h LYS 126 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3n08 h LYS 126 Cb 1.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3n08 h LYS 126 CO 0.59 0.23 0.27 1.49 -2.27 0.00 0.00 179.45 179.77 3n08 h GLU 127 N 0.36 0.72 -0.65 1.90 4.81 -1.98 -0.09 114.58 119.64 3n08 h GLU 127 Ca 0.33 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3n08 h GLU 127 Cb 0.46 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3n08 h GLU 127 CO -0.36 0.57 0.19 1.96 -0.73 0.00 0.00 179.01 180.64 3n08 h GLN 128 N 0.68 1.02 -0.08 1.92 4.20 -1.84 -1.63 115.11 119.38 3n08 h GLN 128 Ca 0.18 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3n08 h GLN 128 Cb 0.06 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3n08 h GLN 128 CO -0.03 0.90 0.03 1.25 -0.67 0.00 0.00 178.83 180.31 3n08 h LEU 129 N 0.95 0.11 -0.90 1.46 5.85 -0.86 -2.18 115.31 119.74 3n08 h LEU 129 Ca 0.21 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3n08 h LEU 129 Cb 0.31 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3n08 h LEU 129 CO -0.00 0.26 0.09 -0.07 -0.34 0.00 0.00 178.44 178.37 3n08 h LEU 130 N -0.04 0.85 -1.02 2.25 3.38 -0.92 -0.43 115.31 119.38 3n08 h LEU 130 Ca 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3n08 h LEU 130 Cb 0.18 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3n08 h LEU 130 CO -0.00 0.87 0.48 -0.33 0.09 0.00 0.00 178.44 179.54 3n08 h GLU 131 N 0.85 1.16 0.00 1.13 5.08 -1.14 -2.40 114.58 119.27 3n08 h GLU 131 Ca 0.18 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3n08 h GLU 131 Cb 0.38 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3n08 h GLU 131 CO 0.01 0.84 -0.73 0.00 -1.00 0.00 0.00 179.01 178.12 3n08 h ALA 132 N 1.35 0.79 0.00 3.43 0.00 -0.76 -3.25 119.26 120.81 3n08 h ALA 132 Ca 0.30 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3n08 h ALA 132 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3n08 h ALA 132 CO -0.05 0.91 -0.46 0.52 0.00 0.00 0.00 179.25 180.17 3n08 h MET 133 N 0.00 0.00 -6.58 0.00 2.86 -0.62 -3.45 114.93 107.14 3n08 h MET 133 Ca -0.01 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.09 3n08 h MET 133 Cb 1.30 0.00 0.06 0.00 0.06 0.00 0.00 31.60 33.02 3n08 h MET 133 CO 0.10 0.46 0.95 -3.47 1.06 0.00 0.00 176.91 176.01 3n08 n ASP 134 N -3.59 3.69 0.00 1.22 2.03 -0.99 -0.60 116.55 118.32 3n08 n ASP 134 Ca -0.00 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.37 3n08 n ASP 134 Cb 0.56 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 3n08 n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3n08 n GLY 135 N 3.82 0.75 0.00 0.27 0.00 -1.26 -4.89 105.19 103.88 3n08 n GLY 135 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3n08 n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n08 n HIS 136 N -2.00 0.00 -2.57 1.61 8.25 0.24 -5.01 115.22 115.74 3n08 n HIS 136 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3n08 n HIS 136 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3n08 n HIS 136 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n08 s ILE 137 N -0.45 4.47 -0.05 1.59 1.01 -1.19 -1.27 121.20 125.31 3n08 s ILE 137 Ca 0.00 1.77 0.01 0.00 0.00 0.00 0.00 60.65 62.43 3n08 s ILE 137 Cb 0.00 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3n08 s ILE 137 CO 0.00 0.09 0.11 2.30 0.00 0.00 0.00 174.94 177.44 3n08 n ILE 138 N 4.16 0.00 -3.47 2.92 -5.35 0.41 -4.94 119.36 113.09 3n08 n ILE 138 Ca 0.08 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 3n08 n ILE 138 Cb 0.48 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.35 3n08 n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n08 s ALA 139 N -0.91 -1.69 0.00 -1.28 0.00 -1.17 -4.96 121.76 111.75 3n08 s ALA 139 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3n08 s ALA 139 Cb 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3n08 s ALA 139 CO 0.03 -0.60 -0.03 0.99 0.00 0.00 0.00 175.76 176.15 3n08 s THR 140 N -2.64 0.22 0.04 0.00 2.01 -1.26 -0.91 115.64 113.10 3n08 s THR 140 Ca -0.03 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3n08 s THR 140 Cb -0.01 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 3n08 s THR 140 CO -0.04 -0.03 -0.04 0.00 -0.69 0.00 0.00 174.62 173.82 3n08 s ALA 141 N -0.31 0.38 -0.03 7.40 0.00 -0.01 -4.75 121.76 124.43 3n08 s ALA 141 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3n08 s ALA 141 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3n08 s ALA 141 CO -0.00 -0.17 -0.11 -2.00 0.00 0.00 0.00 175.76 173.48 3n08 s GLU 142 N -2.17 1.20 0.05 0.00 2.12 -1.26 -0.75 118.70 117.89 3n08 s GLU 142 Ca -0.08 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 54.94 3n08 s GLU 142 Cb -0.05 -1.09 -0.02 0.00 0.26 0.00 0.00 34.13 33.23 3n08 s GLU 142 CO -0.03 0.13 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.48 3n08 s LEU 143 N 0.21 2.18 0.01 2.70 2.96 -0.10 -4.66 118.68 121.97 3n08 s LEU 143 Ca -0.04 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 3n08 s LEU 143 Cb -0.10 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 3n08 s LEU 143 CO 0.01 0.09 -0.07 -0.32 -1.32 0.00 0.00 176.35 174.74 3n08 s MET 144 N -1.24 0.57 0.06 1.98 -2.45 -1.26 -0.17 119.30 116.80 3n08 s MET 144 Ca 0.05 -0.36 -0.00 0.00 -1.25 0.00 0.00 55.69 54.12 3n08 s MET 144 Cb -0.09 -0.52 -0.04 0.00 1.25 0.00 0.00 34.83 35.43 3n08 s MET 144 CO 0.02 0.14 -0.04 0.20 1.05 0.00 0.00 175.02 176.38 3n08 s GLY 145 N -0.46 0.55 0.27 2.11 0.00 -0.69 -0.26 107.32 108.84 3n08 s GLY 145 Ca 0.00 -1.25 0.08 0.00 0.00 0.00 0.00 44.72 43.56 3n08 s GLY 145 CO -0.00 -1.35 0.15 -0.51 0.00 0.00 0.00 173.10 171.39 3n08 s THR 146 N -3.83 3.97 -0.05 0.90 -4.23 -0.52 -0.36 115.64 111.52 3n08 s THR 146 Ca 0.08 -1.56 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 3n08 s THR 146 Cb 0.07 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.73 3n08 s THR 146 CO -0.09 -0.32 0.14 -0.47 -0.54 0.00 0.00 174.62 173.34 3n08 s TYR 147 N -2.23 -0.16 -0.08 3.99 5.04 -0.53 -0.15 117.35 123.24 3n08 s TYR 147 Ca 0.34 0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 55.32 3n08 s TYR 147 Cb -0.07 0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.34 3n08 s TYR 147 CO 0.24 -0.08 0.17 -2.00 -1.34 0.00 0.00 175.55 172.54 3n08 s GLU 148 N 0.07 0.09 0.00 4.97 2.12 -1.26 -1.21 118.70 123.48 3n08 s GLU 148 Ca -0.00 0.47 0.15 0.00 0.36 0.00 0.00 54.97 55.95 3n08 s GLU 148 Cb -0.01 -0.19 0.89 0.00 0.26 0.00 0.00 34.13 35.08 3n08 s GLU 148 CO 0.00 -0.21 1.31 1.63 -0.54 0.00 0.00 175.26 177.44