#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nt3 s LYS 3 N 0.00 2.22 -0.16 -1.46 -0.14 -1.26 -5.04 119.74 113.90 2nt3 s LYS 3 Ca 0.00 -1.09 -0.05 0.00 -1.36 0.00 0.00 55.97 53.47 2nt3 s LYS 3 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 2nt3 s LYS 3 CO 0.00 -0.48 0.01 0.21 -0.76 0.00 0.00 175.35 174.33 2nt3 s LYS 4 N 1.24 3.75 -0.04 1.68 2.20 -1.26 -1.14 119.74 126.18 2nt3 s LYS 4 Ca -0.04 -0.43 0.07 0.00 -0.36 0.00 0.00 55.97 55.20 2nt3 s LYS 4 Cb -0.18 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2nt3 s LYS 4 CO -0.07 0.30 -0.25 0.42 -0.36 0.00 0.00 175.35 175.38 2nt3 s ILE 5 N 0.26 2.04 -0.20 5.43 1.01 0.42 -0.30 121.20 129.86 2nt3 s ILE 5 Ca 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 2nt3 s ILE 5 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 2nt3 s ILE 5 CO 0.02 0.57 0.00 -0.22 0.00 0.00 0.00 174.94 175.31 2nt3 s LEU 6 N -0.33 3.27 -0.26 2.97 2.96 -0.69 -1.08 118.68 125.53 2nt3 s LEU 6 Ca 0.02 -0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.60 2nt3 s LEU 6 Cb -0.12 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2nt3 s LEU 6 CO 0.02 0.06 0.28 -0.63 -1.32 0.00 0.00 176.35 174.76 2nt3 s ILE 7 N 1.02 5.25 -0.44 6.68 1.01 -0.22 -1.04 121.20 133.46 2nt3 s ILE 7 Ca 0.02 0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.98 2nt3 s ILE 7 Cb -0.14 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.81 2nt3 s ILE 7 CO 0.02 0.23 0.30 -0.69 0.00 0.00 0.00 174.94 174.80 2nt3 s VAL 8 N 1.71 4.14 -0.28 2.92 1.01 0.43 -0.76 120.40 129.56 2nt3 s VAL 8 Ca 0.12 -1.65 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 2nt3 s VAL 8 Cb -0.15 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2nt3 s VAL 8 CO 0.09 -0.66 0.68 -0.70 0.00 0.00 0.00 175.10 174.51 2nt3 s GLU 9 N 1.37 0.69 0.01 2.72 2.56 -0.65 -1.00 118.70 124.40 2nt3 s GLU 9 Ca 0.05 1.24 0.24 0.00 0.00 0.00 0.00 54.97 56.50 2nt3 s GLU 9 Cb -0.25 0.21 0.39 0.00 2.00 0.00 0.00 34.13 36.48 2nt3 s GLU 9 CO 0.00 -0.16 1.33 -1.13 -0.56 0.00 0.00 175.26 174.74 2nt3 n SER 10 N 4.44 0.58 -4.55 -1.70 3.41 -1.26 -3.99 113.62 110.54 2nt3 n SER 10 Ca -0.19 -0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 57.68 2nt3 n SER 10 Cb 0.58 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 2nt3 n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2nt3 s ASP 11 N -3.09 6.21 0.29 4.04 -1.08 -1.26 -4.88 116.67 116.91 2nt3 s ASP 11 Ca 0.10 -0.67 0.07 0.00 -0.52 0.00 0.00 52.55 51.53 2nt3 s ASP 11 Cb 0.17 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.52 2nt3 s ASP 11 CO 0.73 -1.78 1.69 0.71 0.52 0.00 0.00 175.17 177.03 2nt3 h THR 12 N 6.25 1.33 -0.19 1.71 1.35 -1.99 -0.25 112.91 121.11 2nt3 h THR 12 Ca -0.16 -1.60 -0.05 0.00 -0.55 0.00 0.00 66.41 64.06 2nt3 h THR 12 Cb 1.04 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2nt3 h THR 12 CO 1.31 0.47 -0.06 0.00 -0.25 0.00 0.00 175.52 177.00 2nt3 h ALA 13 N 1.38 0.26 -0.48 6.62 0.00 -1.98 -1.65 119.26 123.42 2nt3 h ALA 13 Ca 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2nt3 h ALA 13 Cb 0.86 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2nt3 h ALA 13 CO 0.07 0.05 0.20 1.25 0.00 0.00 0.00 179.25 180.82 2nt3 h LEU 14 N 0.08 0.65 -0.82 0.00 5.85 -1.91 -2.36 115.31 116.80 2nt3 h LEU 14 Ca 0.05 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2nt3 h LEU 14 Cb 0.52 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2nt3 h LEU 14 CO 0.02 0.64 0.53 -1.28 -0.34 0.00 0.00 178.44 178.01 2nt3 h SER 15 N 0.63 0.89 -0.67 1.25 0.87 -0.95 -0.64 113.55 114.94 2nt3 h SER 15 Ca 0.16 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2nt3 h SER 15 Cb 0.18 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2nt3 h SER 15 CO -0.01 0.62 0.16 0.00 -0.53 0.00 0.00 176.83 177.07 2nt3 h ALA 16 N 1.33 0.88 -0.36 6.23 0.00 -1.09 0.11 119.26 126.36 2nt3 h ALA 16 Ca 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2nt3 h ALA 16 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2nt3 h ALA 16 CO -0.10 0.59 0.13 1.15 0.00 0.00 0.00 179.25 181.02 2nt3 h THR 17 N 0.99 1.20 -0.46 0.00 2.02 -0.87 -1.07 112.91 114.71 2nt3 h THR 17 Ca 0.21 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 2nt3 h THR 17 Cb 0.37 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2nt3 h THR 17 CO 0.00 0.23 0.05 -0.07 0.37 0.00 0.00 175.52 176.10 2nt3 h LEU 18 N 0.44 0.76 -0.48 2.58 3.38 -0.97 -1.72 115.31 119.29 2nt3 h LEU 18 Ca 0.12 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2nt3 h LEU 18 Cb 0.23 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2nt3 h LEU 18 CO -0.01 0.85 0.16 -0.09 0.09 0.00 0.00 178.44 179.44 2nt3 h ARG 19 N 0.64 0.32 -0.65 1.13 2.43 -0.72 -1.69 114.38 115.84 2nt3 h ARG 19 Ca 0.14 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2nt3 h ARG 19 Cb 0.43 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2nt3 h ARG 19 CO 0.01 0.21 0.24 0.77 -1.51 0.00 0.00 179.97 179.70 2nt3 h SER 20 N 0.33 0.90 -0.42 -3.80 0.02 -0.91 0.72 113.55 110.39 2nt3 h SER 20 Ca 0.23 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2nt3 h SER 20 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2nt3 h SER 20 CO -0.25 0.84 0.23 0.00 -1.14 0.00 0.00 176.83 176.51 2nt3 h ALA 21 N 1.10 0.53 -0.55 3.77 0.00 -1.03 -0.68 119.26 122.40 2nt3 h ALA 21 Ca 0.21 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2nt3 h ALA 21 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2nt3 h ALA 21 CO -0.01 0.06 0.09 -0.07 0.00 0.00 0.00 179.25 179.31 2nt3 h LEU 22 N 0.54 0.88 -0.89 0.00 3.38 -1.09 -2.85 115.31 115.28 2nt3 h LEU 22 Ca 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2nt3 h LEU 22 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2nt3 h LEU 22 CO -0.02 0.92 0.42 -0.33 0.09 0.00 0.00 178.44 179.51 2nt3 h GLU 23 N 0.80 1.22 -0.39 1.13 5.08 -0.64 -1.82 114.58 119.96 2nt3 h GLU 23 Ca 0.17 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nt3 h GLU 23 Cb 0.41 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2nt3 h GLU 23 CO 0.01 0.92 0.25 0.78 -1.00 0.00 0.00 179.01 179.98 2nt3 h GLY 24 N 1.22 0.55 0.38 -3.84 0.00 -0.93 -0.65 103.07 99.80 2nt3 h GLY 24 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2nt3 h GLY 24 CO -0.04 0.20 0.00 -2.13 0.00 0.00 0.00 176.54 174.57 2nt3 n ARG 25 N -4.47 1.21 0.00 4.80 3.00 -0.98 -4.90 116.66 115.32 2nt3 n ARG 25 Ca 0.03 -0.31 0.00 0.00 -0.00 0.00 0.00 57.85 57.56 2nt3 n ARG 25 Cb 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.10 2nt3 n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nt3 n GLY 26 N 0.99 0.71 3.82 5.14 0.00 -0.25 -4.63 105.19 110.97 2nt3 n GLY 26 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2nt3 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nt3 s PHE 27 N -2.00 3.26 -0.13 1.61 0.08 -0.72 -4.75 117.98 115.33 2nt3 s PHE 27 Ca 0.00 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.42 2nt3 s PHE 27 Cb 0.00 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 2nt3 s PHE 27 CO 0.00 -0.47 0.42 0.99 -0.10 0.00 0.00 175.22 176.06 2nt3 s THR 28 N -2.35 5.23 -0.02 0.64 2.01 -0.29 -4.12 115.64 116.73 2nt3 s THR 28 Ca 0.62 0.82 0.03 0.00 0.31 0.00 0.00 61.69 63.47 2nt3 s THR 28 Cb -0.12 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2nt3 s THR 28 CO 0.24 0.34 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 2nt3 s VAL 29 N 0.61 0.79 0.30 3.82 1.01 -1.26 -0.43 120.40 125.23 2nt3 s VAL 29 Ca 0.23 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2nt3 s VAL 29 Cb -0.14 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 2nt3 s VAL 29 CO 0.08 0.24 -0.13 -0.62 0.00 0.00 0.00 175.10 174.67 2nt3 s ASP 30 N 0.08 3.44 0.01 3.32 2.15 -0.24 -4.98 116.67 120.47 2nt3 s ASP 30 Ca -0.01 -1.12 0.02 0.00 0.43 0.00 0.00 52.55 51.87 2nt3 s ASP 30 Cb -0.07 -0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.25 2nt3 s ASP 30 CO 0.00 -0.14 -0.08 -1.61 -0.17 0.00 0.00 175.17 173.18 2nt3 s GLU 31 N -3.60 0.56 -0.03 4.34 2.02 -1.26 -1.05 118.70 119.69 2nt3 s GLU 31 Ca 0.30 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.83 2nt3 s GLU 31 Cb -0.00 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.76 2nt3 s GLU 31 CO 0.14 0.12 0.06 -0.08 0.02 0.00 0.00 175.26 175.53 2nt3 s THR 32 N -0.59 -0.01 -2.33 3.63 -1.32 0.06 -4.95 115.64 110.13 2nt3 s THR 32 Ca -0.01 0.03 0.25 0.00 -1.21 0.00 0.00 61.69 60.75 2nt3 s THR 32 Cb -0.05 -0.10 0.27 0.00 -1.51 0.00 0.00 72.50 71.10 2nt3 s THR 32 CO 0.00 0.01 1.44 0.35 -2.21 0.00 0.00 174.62 174.21 2nt3 n THR 33 N 3.20 0.00 -3.29 5.08 -2.24 -1.26 -1.63 114.28 114.15 2nt3 n THR 33 Ca -0.14 -0.28 -0.46 0.00 -2.27 0.00 0.00 64.05 60.90 2nt3 n THR 33 Cb 0.58 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2nt3 n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nt3 s ASP 34 N -2.23 6.92 0.25 3.42 -1.08 -1.26 -4.61 116.67 118.08 2nt3 s ASP 34 Ca 0.28 -2.91 -0.05 0.00 -0.52 0.00 0.00 52.55 49.34 2nt3 s ASP 34 Cb 0.20 -2.23 0.29 0.00 -1.46 0.00 0.00 42.92 39.72 2nt3 s ASP 34 CO 0.43 -0.53 1.91 1.23 0.52 0.00 0.00 175.17 178.72 2nt3 h GLY 35 N 7.72 1.42 1.01 2.66 0.00 -1.90 -2.45 103.07 111.53 2nt3 h GLY 35 Ca 0.14 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2nt3 h GLY 35 CO 0.86 0.46 0.65 0.07 0.00 0.00 0.00 176.54 178.58 2nt3 h LYS 36 N 1.28 1.26 -0.00 4.80 -0.00 -1.94 -2.18 116.57 119.80 2nt3 h LYS 36 Ca 0.38 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.95 2nt3 h LYS 36 Cb -0.07 -0.28 0.00 0.00 -0.00 0.00 0.00 32.23 31.88 2nt3 h LYS 36 CO -0.10 0.83 -0.14 0.41 -0.00 0.00 0.00 179.45 180.45 2nt3 n GLY 37 N -1.38 -1.25 0.24 0.07 0.00 -1.04 -4.49 105.19 97.34 2nt3 n GLY 37 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 2nt3 n GLY 37 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nt3 h SER 38 N 0.18 0.60 -0.24 1.61 4.64 -0.92 -2.36 113.55 117.05 2nt3 h SER 38 Ca 0.00 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2nt3 h SER 38 Cb 0.43 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2nt3 h SER 38 CO 0.00 0.84 0.07 0.58 -0.87 0.00 0.00 176.83 177.46 2nt3 h VAL 39 N 0.52 1.19 -0.03 0.95 2.07 -1.79 -0.62 116.25 118.54 2nt3 h VAL 39 Ca 0.07 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 2nt3 h VAL 39 Cb 0.72 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2nt3 h VAL 39 CO 0.06 0.20 -0.55 -0.33 0.02 0.00 0.00 177.57 176.96 2nt3 h GLU 40 N 0.22 0.09 -0.37 1.57 4.39 -1.85 -0.71 114.58 117.91 2nt3 h GLU 40 Ca 0.08 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2nt3 h GLU 40 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2nt3 h GLU 40 CO -0.00 0.62 0.23 0.37 -1.16 0.00 0.00 179.01 179.06 2nt3 h GLN 41 N 0.07 0.50 -0.86 2.33 4.15 -1.19 -1.28 115.11 118.83 2nt3 h GLN 41 Ca -0.00 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.38 2nt3 h GLN 41 Cb 1.00 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.54 2nt3 h GLN 41 CO 0.08 0.37 0.57 0.82 -1.93 0.00 0.00 178.83 178.74 2nt3 h ILE 42 N 0.49 1.21 -0.66 2.39 2.04 -0.82 0.14 117.51 122.31 2nt3 h ILE 42 Ca 0.13 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2nt3 h ILE 42 Cb -0.00 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.00 2nt3 h ILE 42 CO -0.03 0.21 0.39 -0.09 0.00 0.00 0.00 178.15 178.63 2nt3 h ARG 43 N 1.15 0.90 -0.09 2.37 2.43 -0.78 -3.15 114.38 117.21 2nt3 h ARG 43 Ca 0.32 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2nt3 h ARG 43 Cb -0.12 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.25 2nt3 h ARG 43 CO -0.07 0.65 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.85 2nt3 h ARG 44 N 0.89 0.23 -2.90 0.20 2.43 -0.75 -3.39 114.38 111.09 2nt3 h ARG 44 Ca 0.23 -0.13 -0.61 0.00 -0.81 0.00 0.00 59.98 58.67 2nt3 h ARG 44 Cb -0.01 0.01 -0.41 0.00 -0.42 0.00 0.00 29.97 29.14 2nt3 h ARG 44 CO -0.04 0.66 -0.67 -3.47 -1.51 0.00 0.00 179.97 174.94 2nt3 n ASP 45 N -4.65 2.19 -4.66 -3.80 2.03 0.46 -5.08 116.55 103.04 2nt3 n ASP 45 Ca -0.07 -3.01 -0.43 0.00 0.52 0.00 0.00 54.79 51.80 2nt3 n ASP 45 Cb 0.33 -0.71 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 2nt3 n ASP 45 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2nt3 s ARG 46 N -1.12 4.21 0.66 -0.67 6.06 -1.19 -4.50 118.95 122.40 2nt3 s ARG 46 Ca 0.27 1.73 -0.06 0.00 -2.50 0.00 0.00 55.73 55.17 2nt3 s ARG 46 Cb -0.02 -3.80 0.05 0.00 0.06 0.00 0.00 34.95 31.23 2nt3 s ARG 46 CO -0.18 -0.75 0.96 -1.25 -2.50 0.00 0.00 175.30 171.59 2nt3 s PRO 47 N 3.62 2.40 0.38 5.12 0.04 -1.26 -4.99 135.00 140.31 2nt3 s PRO 47 Ca 0.58 -0.25 0.21 0.00 0.04 0.00 0.00 61.00 61.58 2nt3 s PRO 47 Cb -0.23 -2.23 0.24 0.00 0.04 0.00 0.00 34.50 32.32 2nt3 s PRO 47 CO 0.17 -1.06 1.52 -0.44 0.04 0.00 0.00 177.00 177.23 2nt3 h ASP 48 N -0.43 0.00 -4.40 6.66 3.32 -1.04 -3.47 116.42 117.05 2nt3 h ASP 48 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 2nt3 h ASP 48 Cb 1.30 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.64 2nt3 h ASP 48 CO 0.60 0.13 -0.04 -0.22 -1.72 0.00 0.00 179.24 177.98 2nt3 s LEU 49 N -6.20 -0.06 -0.11 1.55 2.96 -0.99 -4.05 118.68 111.78 2nt3 s LEU 49 Ca 0.06 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 2nt3 s LEU 49 Cb 0.06 1.94 -0.01 0.00 0.50 0.00 0.00 46.19 48.68 2nt3 s LEU 49 CO 0.70 -0.34 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.51 2nt3 s VAL 50 N -0.38 2.61 -0.29 1.68 1.01 -0.32 -1.70 120.40 123.01 2nt3 s VAL 50 Ca -0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2nt3 s VAL 50 Cb -0.03 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2nt3 s VAL 50 CO 0.04 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.16 2nt3 s VAL 51 N 0.24 5.03 -0.18 2.92 1.01 -0.20 -0.94 120.40 128.28 2nt3 s VAL 51 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2nt3 s VAL 51 Cb -0.16 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2nt3 s VAL 51 CO 0.06 0.20 -0.09 -0.22 0.00 0.00 0.00 175.10 175.06 2nt3 s LEU 52 N 1.71 1.97 0.35 3.92 2.96 -0.05 -0.43 118.68 129.11 2nt3 s LEU 52 Ca 0.06 -0.77 -0.26 0.00 -0.22 0.00 0.00 54.13 52.94 2nt3 s LEU 52 Cb -0.16 -1.11 -0.09 0.00 0.50 0.00 0.00 46.19 45.33 2nt3 s LEU 52 CO 0.09 -0.15 1.08 0.00 -1.32 0.00 0.00 176.35 176.05 2nt3 s ALA 53 N 1.49 3.23 0.04 5.97 0.00 -0.17 -1.00 121.76 131.32 2nt3 s ALA 53 Ca 0.00 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 2nt3 s ALA 53 Cb -0.16 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 2nt3 s ALA 53 CO -0.08 -0.23 1.38 0.28 0.00 0.00 0.00 175.76 177.11 2nt3 h VAL 54 N 2.58 1.33 -1.97 0.00 2.07 -1.64 -3.19 116.25 115.43 2nt3 h VAL 54 Ca -0.48 -1.14 -0.76 0.00 0.82 0.00 0.00 66.70 65.14 2nt3 h VAL 54 Cb 1.22 1.80 -0.18 0.00 -1.52 0.00 0.00 31.29 32.60 2nt3 h VAL 54 CO 0.64 0.33 1.55 -0.90 0.02 0.00 0.00 177.57 179.22 2nt3 n ASP 55 N -4.65 5.32 -4.90 0.57 5.75 -1.26 -0.94 116.55 116.44 2nt3 n ASP 55 Ca -0.06 -3.10 -0.29 0.00 -0.01 0.00 0.00 54.79 51.33 2nt3 n ASP 55 Cb 0.30 -1.48 -0.03 0.00 -1.03 0.00 0.00 41.12 38.89 2nt3 n ASP 55 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2nt3 s LEU 56 N 0.01 3.94 0.94 -2.12 1.43 -1.21 -4.74 118.68 116.93 2nt3 s LEU 56 Ca 0.39 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 2nt3 s LEU 56 Cb 0.04 -3.70 0.16 0.00 0.03 0.00 0.00 46.19 42.71 2nt3 s LEU 56 CO 0.01 -0.31 1.09 -0.44 0.23 0.00 0.00 176.35 176.93 2nt3 s SER 57 N -3.32 3.04 -1.42 2.29 0.01 -1.26 -4.04 113.70 109.00 2nt3 s SER 57 Ca 0.46 1.41 -0.02 0.00 1.31 0.00 0.00 55.95 59.11 2nt3 s SER 57 Cb -0.10 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2nt3 s SER 57 CO 0.32 -2.90 0.22 0.00 0.41 0.00 0.00 173.24 171.29 2nt3 n ALA 58 N -4.04 -0.64 -0.98 1.44 0.00 -1.26 -2.88 120.51 112.15 2nt3 n ALA 58 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2nt3 n ALA 58 Cb 0.56 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2nt3 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nt3 n GLY 59 N -1.18 0.41 3.79 0.00 0.00 -1.26 -5.00 105.19 101.96 2nt3 n GLY 59 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2nt3 n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nt3 s GLN 60 N -0.50 4.46 0.10 1.61 -0.21 -1.14 -5.06 119.66 118.91 2nt3 s GLN 60 Ca 0.00 1.20 0.07 0.00 0.02 0.00 0.00 55.36 56.65 2nt3 s GLN 60 Cb 0.00 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.27 2nt3 s GLN 60 CO 0.00 0.24 -0.18 0.54 -2.12 0.00 0.00 175.29 173.78 2nt3 s ASN 61 N -1.73 2.20 0.40 5.90 2.20 -1.26 -3.33 114.94 119.31 2nt3 s ASN 61 Ca 0.51 -0.68 0.13 0.00 -0.94 0.00 0.00 52.86 51.88 2nt3 s ASN 61 Cb -0.16 -0.10 0.83 0.00 -2.00 0.00 0.00 41.25 39.81 2nt3 s ASN 61 CO 0.21 -0.01 1.90 1.23 -2.94 0.00 0.00 177.10 177.49 2nt3 h GLY 62 N 4.08 0.04 1.79 0.45 0.00 -1.02 -1.67 103.07 106.74 2nt3 h GLY 62 Ca -0.44 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 2nt3 h GLY 62 CO 0.41 0.02 -0.21 -0.97 0.00 0.00 0.00 176.54 175.79 2nt3 h TYR 63 N 0.03 0.28 -0.35 5.60 0.05 -1.83 -0.02 116.97 120.73 2nt3 h TYR 63 Ca 0.00 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 2nt3 h TYR 63 Cb 0.50 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 2nt3 h TYR 63 CO 0.00 0.46 -0.33 -0.07 -1.05 0.00 0.00 178.16 177.17 2nt3 h LEU 64 N 0.24 0.91 -0.64 3.88 3.38 -1.72 -1.12 115.31 120.24 2nt3 h LEU 64 Ca 0.04 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 2nt3 h LEU 64 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2nt3 h LEU 64 CO 0.03 1.18 0.22 0.40 0.09 0.00 0.00 178.44 180.37 2nt3 h ILE 65 N 0.65 1.24 -0.64 1.22 1.08 -1.23 -1.05 117.51 118.78 2nt3 h ILE 65 Ca 0.06 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.77 2nt3 h ILE 65 Cb 0.92 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 2nt3 h ILE 65 CO 0.08 0.31 0.37 0.00 -0.69 0.00 0.00 178.15 178.22 2nt3 h GLY 67 N 0.69 1.18 1.00 0.00 0.00 -0.69 0.57 103.07 105.82 2nt3 h GLY 67 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2nt3 h GLY 67 CO -0.15 0.62 0.30 0.50 0.00 0.00 0.00 176.54 177.81 2nt3 h LYS 68 N 1.06 0.63 -0.44 4.80 1.57 -0.42 -0.36 116.57 123.41 2nt3 h LYS 68 Ca 0.24 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2nt3 h LYS 68 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2nt3 h LYS 68 CO -0.02 0.43 0.20 -0.07 -0.57 0.00 0.00 179.45 179.43 2nt3 h LEU 69 N 0.63 0.58 -0.00 2.94 3.38 -0.84 -2.81 115.31 119.20 2nt3 h LEU 69 Ca 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2nt3 h LEU 69 Cb -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2nt3 h LEU 69 CO -0.03 0.56 -0.01 0.29 0.09 0.00 0.00 178.44 179.34 2nt3 n LYS 70 N -4.65 0.06 0.00 1.13 4.76 0.15 -2.38 118.16 117.24 2nt3 n LYS 70 Ca 0.01 -0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.56 2nt3 n LYS 70 Cb 0.12 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 31.90 2nt3 n LYS 70 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2nt3 n LYS 71 N -1.47 0.05 -3.17 1.97 5.02 -0.17 -4.76 118.16 115.63 2nt3 n LYS 71 Ca 0.08 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 2nt3 n LYS 71 Cb 0.33 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2nt3 n LYS 71 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2nt3 s ASP 72 N -2.98 6.68 0.48 4.39 -1.08 -1.00 -4.95 116.67 118.22 2nt3 s ASP 72 Ca 0.10 0.82 0.16 0.00 -0.52 0.00 0.00 52.55 53.12 2nt3 s ASP 72 Cb 0.17 -2.33 1.15 0.00 -1.46 0.00 0.00 42.92 40.45 2nt3 s ASP 72 CO 0.77 -0.20 2.06 -0.78 0.52 0.00 0.00 175.17 177.54 2nt3 h ASP 73 N 7.30 0.00 0.61 -0.34 1.82 -1.90 -0.44 116.42 123.47 2nt3 h ASP 73 Ca -0.34 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.04 2nt3 h ASP 73 Cb 1.16 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.12 2nt3 h ASP 73 CO 0.76 0.11 -1.54 0.44 -1.61 0.00 0.00 179.24 177.40 2nt3 h ASP 74 N 0.00 0.00 0.00 2.28 3.32 -1.92 -3.39 116.42 116.70 2nt3 h ASP 74 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nt3 h ASP 74 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2nt3 h ASP 74 CO 0.01 0.94 -0.96 0.18 -1.72 0.00 0.00 179.24 177.70 2nt3 n LEU 75 N -3.08 0.78 0.24 1.55 4.77 -0.90 -4.51 117.00 115.85 2nt3 n LEU 75 Ca -0.13 -0.45 0.17 0.00 -0.03 0.00 0.00 56.01 55.56 2nt3 n LEU 75 Cb 1.00 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.83 2nt3 n LEU 75 CO 0.45 0.20 0.98 0.07 -1.33 0.00 0.00 177.39 177.76 2nt3 h LYS 76 N 0.00 0.00 0.00 3.23 2.10 -0.87 -2.08 116.57 118.95 2nt3 h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nt3 h LYS 76 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2nt3 h LYS 76 CO 0.00 0.00 -0.01 0.09 -2.00 0.00 0.00 179.45 177.53 2nt3 n ASN 77 N -2.80 0.06 -4.66 7.07 3.02 -1.26 -4.74 115.26 111.94 2nt3 n ASN 77 Ca 0.00 0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 54.61 2nt3 n ASN 77 Cb 0.21 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 2nt3 n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2nt3 s VAL 78 N -3.01 3.99 0.44 2.41 1.01 -0.78 -4.97 120.40 119.49 2nt3 s VAL 78 Ca 0.14 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.08 2nt3 s VAL 78 Cb 0.19 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2nt3 s VAL 78 CO 0.54 -0.10 1.34 -2.84 0.00 0.00 0.00 175.10 174.04 2nt3 s PRO 79 N 3.57 3.76 -0.09 2.72 0.02 -1.26 -4.87 135.00 138.86 2nt3 s PRO 79 Ca 0.62 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.90 2nt3 s PRO 79 Cb -0.27 -2.64 0.01 0.00 0.02 0.00 0.00 34.50 31.63 2nt3 s PRO 79 CO 0.21 -0.69 -0.16 0.42 -0.33 0.00 0.00 177.00 176.45 2nt3 s ILE 80 N -1.27 1.47 -0.29 2.83 1.01 -1.26 -1.18 121.20 122.52 2nt3 s ILE 80 Ca 0.60 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 2nt3 s ILE 80 Cb -0.40 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2nt3 s ILE 80 CO 0.50 0.43 0.03 -0.69 0.00 0.00 0.00 174.94 175.22 2nt3 s VAL 81 N 0.66 3.53 0.26 2.92 1.01 -0.11 -2.00 120.40 126.67 2nt3 s VAL 81 Ca -0.14 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2nt3 s VAL 81 Cb -0.16 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 2nt3 s VAL 81 CO 0.04 0.07 1.06 -0.63 0.00 0.00 0.00 175.10 175.63 2nt3 s ILE 82 N 1.41 3.65 -0.13 2.22 -1.09 -0.36 -0.87 121.20 126.03 2nt3 s ILE 82 Ca 0.01 1.65 0.03 0.00 -2.23 0.00 0.00 60.65 60.10 2nt3 s ILE 82 Cb -0.18 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 2nt3 s ILE 82 CO 0.00 0.39 -0.22 0.27 -1.23 0.00 0.00 174.94 174.15 2nt3 s ILE 83 N -1.12 2.02 -1.23 2.92 -4.36 -0.17 -0.19 121.20 119.07 2nt3 s ILE 83 Ca 0.44 -0.96 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 2nt3 s ILE 83 Cb -0.30 -1.78 0.00 0.00 1.25 0.00 0.00 42.46 41.62 2nt3 s ILE 83 CO 0.39 0.54 0.00 0.61 0.24 0.00 0.00 174.94 176.72 2nt3 n GLY 84 N 4.03 -0.74 3.69 6.27 0.00 -1.04 -1.58 105.19 115.82 2nt3 n GLY 84 Ca -0.20 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2nt3 n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nt3 s ASN 85 N -4.00 6.96 0.08 1.61 3.84 -1.26 -1.05 114.94 121.11 2nt3 s ASN 85 Ca 0.00 1.97 0.13 0.00 0.21 0.00 0.00 52.86 55.16 2nt3 s ASN 85 Cb 0.00 -2.56 0.57 0.00 -0.55 0.00 0.00 41.25 38.71 2nt3 s ASN 85 CO 0.00 -0.64 1.40 -0.81 -2.79 0.00 0.00 177.10 174.26 2nt3 n PRO 86 N 5.20 0.05 0.18 0.43 -0.04 -1.26 -2.06 135.00 137.50 2nt3 n PRO 86 Ca 0.12 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2nt3 n PRO 86 Cb 0.45 -1.61 0.62 0.00 -0.04 0.00 0.00 33.50 32.92 2nt3 n PRO 86 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nt3 h ASP 87 N 0.00 0.00 -0.01 3.54 3.32 -2.00 -1.73 116.42 119.54 2nt3 h ASP 87 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nt3 h ASP 87 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2nt3 h ASP 87 CO 0.00 0.00 -0.78 0.61 -1.72 0.00 0.00 179.24 177.35 2nt3 n GLY 88 N -1.27 -0.56 0.24 2.75 0.00 -0.88 -4.67 105.19 100.80 2nt3 n GLY 88 Ca -0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 2nt3 n GLY 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2nt3 h PHE 89 N 1.02 1.02 -0.55 1.61 0.04 -1.49 -1.91 116.94 116.67 2nt3 h PHE 89 Ca 0.00 -0.33 -0.03 0.00 2.80 0.00 0.00 57.97 60.41 2nt3 h PHE 89 Cb 0.61 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2nt3 h PHE 89 CO 0.00 1.13 0.22 0.00 -0.60 0.00 0.00 178.31 179.06 2nt3 h ALA 90 N 0.72 0.72 -0.94 2.45 0.00 -1.83 -1.68 119.26 118.70 2nt3 h ALA 90 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2nt3 h ALA 90 Cb 0.99 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2nt3 h ALA 90 CO 0.09 0.34 0.56 1.96 0.00 0.00 0.00 179.25 182.20 2nt3 h GLN 91 N 0.76 1.29 -0.11 0.00 1.08 -1.83 -2.60 115.11 113.70 2nt3 h GLN 91 Ca 0.18 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2nt3 h GLN 91 Cb 0.21 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2nt3 h GLN 91 CO -0.01 0.91 -0.18 1.25 -0.95 0.00 0.00 178.83 179.84 2nt3 h HIS 92 N 1.30 0.19 0.00 2.96 2.76 -0.83 -1.42 115.15 120.11 2nt3 h HIS 92 Ca 0.34 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2nt3 h HIS 92 Cb -0.04 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2nt3 h HIS 92 CO 0.01 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 176.99 2nt3 h ARG 93 N 0.17 0.00 0.00 5.26 3.08 -0.91 -2.05 114.38 119.92 2nt3 h ARG 93 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2nt3 h ARG 93 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2nt3 h ARG 93 CO 0.03 0.00 -0.22 1.63 -1.07 0.00 0.00 179.97 180.33 2nt3 n LYS 94 N -2.46 0.26 -2.63 0.04 5.02 -0.53 -4.89 118.16 112.96 2nt3 n LYS 94 Ca -0.01 0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 56.10 2nt3 n LYS 94 Cb 0.10 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2nt3 n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nt3 s LEU 95 N -4.35 3.96 0.20 -0.35 1.43 -0.77 -4.96 118.68 113.84 2nt3 s LEU 95 Ca 0.09 1.88 -0.10 0.00 -1.03 0.00 0.00 54.13 54.97 2nt3 s LEU 95 Cb 0.13 -4.45 0.19 0.00 0.03 0.00 0.00 46.19 42.10 2nt3 s LEU 95 CO 0.64 -0.57 1.82 0.11 0.23 0.00 0.00 176.35 178.58 2nt3 h LYS 96 N 1.94 0.72 -4.54 1.70 1.57 -1.90 -3.37 116.57 112.68 2nt3 h LYS 96 Ca -0.49 -0.04 -0.70 0.00 -1.87 0.00 0.00 60.65 57.55 2nt3 h LYS 96 Cb 1.21 -0.16 -0.31 0.00 0.08 0.00 0.00 32.23 33.05 2nt3 h LYS 96 CO 0.61 0.48 -0.55 0.00 -0.57 0.00 0.00 179.45 179.41 2nt3 s ALA 97 N -6.11 3.14 0.04 3.86 0.00 -1.26 -5.07 121.76 116.36 2nt3 s ALA 97 Ca -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 51.96 49.65 2nt3 s ALA 97 Cb 0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2nt3 s ALA 97 CO 0.76 -1.59 0.06 -3.38 0.00 0.00 0.00 175.76 171.61 2nt3 s HIS 98 N 1.31 0.26 0.64 0.00 -3.43 -1.26 -4.62 115.29 108.20 2nt3 s HIS 98 Ca 0.02 -0.60 -0.18 0.00 -0.80 0.00 0.00 55.06 53.50 2nt3 s HIS 98 Cb -0.22 -0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 30.73 2nt3 s HIS 98 CO -0.00 -0.34 1.29 0.00 -2.00 0.00 0.00 174.74 173.69 2nt3 n ALA 99 N 0.77 1.16 -0.19 -1.38 0.00 -1.26 -4.92 120.51 114.69 2nt3 n ALA 99 Ca -0.19 0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 2nt3 n ALA 99 Cb 0.58 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 17.73 2nt3 n ALA 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2nt3 h ASP 100 N 0.59 0.68 -5.32 0.00 3.45 -1.78 -3.46 116.42 110.58 2nt3 h ASP 100 Ca -0.51 -0.11 -0.13 0.00 0.43 0.00 0.00 57.03 56.70 2nt3 h ASP 100 Cb 1.34 -0.17 -0.13 0.00 -0.56 0.00 0.00 39.33 39.80 2nt3 h ASP 100 CO 0.53 0.60 -0.45 -1.61 -1.57 0.00 0.00 179.24 176.74 2nt3 s GLU 101 N -5.77 1.06 -0.08 3.56 2.02 -0.93 -5.04 118.70 113.51 2nt3 s GLU 101 Ca -0.13 -1.27 -0.05 0.00 0.02 0.00 0.00 54.97 53.54 2nt3 s GLU 101 Cb 0.12 0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.71 2nt3 s GLU 101 CO 0.77 -0.36 0.19 0.00 0.02 0.00 0.00 175.26 175.88 2nt3 s ALA 102 N -4.00 -0.42 -0.06 5.21 0.00 -1.26 -1.22 121.76 120.02 2nt3 s ALA 102 Ca 0.20 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.93 2nt3 s ALA 102 Cb 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2nt3 s ALA 102 CO 0.00 -0.14 -0.22 0.08 0.00 0.00 0.00 175.76 175.48 2nt3 s VAL 103 N 0.82 1.85 0.40 0.00 1.01 0.74 -4.94 120.40 120.27 2nt3 s VAL 103 Ca -0.06 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2nt3 s VAL 103 Cb -0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 2nt3 s VAL 103 CO -0.05 0.52 1.20 0.00 0.00 0.00 0.00 175.10 176.77 2nt3 s ALA 104 N -0.05 3.19 0.16 5.51 0.00 -1.26 -2.49 121.76 126.82 2nt3 s ALA 104 Ca -0.05 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 2nt3 s ALA 104 Cb -0.13 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 2nt3 s ALA 104 CO 0.04 -0.58 0.59 0.15 0.00 0.00 0.00 175.76 175.96 2nt3 s LYS 105 N -2.24 4.06 0.31 0.00 1.02 -0.22 -3.34 119.74 119.32 2nt3 s LYS 105 Ca 0.56 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.86 2nt3 s LYS 105 Cb -0.32 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 33.95 2nt3 s LYS 105 CO 0.41 0.47 1.33 -1.25 -0.92 0.00 0.00 175.35 175.39 2nt3 s PRO 106 N -1.92 4.34 -0.02 -1.68 0.04 -1.26 -4.77 135.00 129.74 2nt3 s PRO 106 Ca 0.39 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 2nt3 s PRO 106 Cb -0.16 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2nt3 s PRO 106 CO 0.20 -0.23 1.13 0.08 0.04 0.00 0.00 177.00 178.21 2nt3 s VAL 107 N -0.83 4.39 -0.62 -0.36 1.01 -1.21 -4.97 120.40 117.81 2nt3 s VAL 107 Ca 0.51 1.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.93 2nt3 s VAL 107 Cb -0.40 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 31.91 2nt3 s VAL 107 CO 0.50 0.07 1.35 -0.62 0.00 0.00 0.00 175.10 176.39 2nt3 s ASP 108 N 1.21 6.16 0.22 3.32 -1.08 -1.26 -4.91 116.67 120.33 2nt3 s ASP 108 Ca 0.55 0.02 -0.10 0.00 -0.52 0.00 0.00 52.55 52.50 2nt3 s ASP 108 Cb -0.24 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 38.84 2nt3 s ASP 108 CO 0.25 -1.74 1.88 0.00 0.52 0.00 0.00 175.17 176.08 2nt3 h ALA 109 N 10.62 1.01 -0.85 3.66 0.00 -1.98 -1.08 119.26 130.63 2nt3 h ALA 109 Ca -0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2nt3 h ALA 109 Cb 1.07 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2nt3 h ALA 109 CO 1.21 0.43 0.42 -0.44 0.00 0.00 0.00 179.25 180.88 2nt3 h ASP 110 N 1.08 1.11 -0.06 0.00 3.32 -2.00 -0.90 116.42 118.98 2nt3 h ASP 110 Ca 0.29 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2nt3 h ASP 110 Cb -0.11 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 2nt3 h ASP 110 CO -0.06 0.93 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.40 2nt3 h GLN 111 N 1.22 0.57 -0.49 3.56 5.75 -1.80 -1.49 115.11 122.43 2nt3 h GLN 111 Ca 0.29 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2nt3 h GLN 111 Cb 0.11 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2nt3 h GLN 111 CO -0.04 0.86 0.26 1.25 -2.65 0.00 0.00 178.83 178.51 2nt3 h LEU 112 N 0.48 0.61 -0.72 -2.39 5.85 -0.73 -1.22 115.31 117.20 2nt3 h LEU 112 Ca 0.05 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2nt3 h LEU 112 Cb 0.88 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2nt3 h LEU 112 CO 0.08 0.54 0.43 0.58 -0.34 0.00 0.00 178.44 179.73 2nt3 h VAL 113 N 0.64 1.04 -0.92 1.05 2.07 -0.90 -1.22 116.25 118.02 2nt3 h VAL 113 Ca 0.17 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2nt3 h VAL 113 Cb 0.06 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2nt3 h VAL 113 CO -0.03 0.15 0.57 -0.33 0.02 0.00 0.00 177.57 177.95 2nt3 h GLU 114 N 0.82 1.24 -0.54 1.57 4.39 -0.73 -1.43 114.58 119.91 2nt3 h GLU 114 Ca 0.30 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 2nt3 h GLU 114 Cb 0.10 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2nt3 h GLU 114 CO -0.14 0.86 -0.05 0.00 -1.16 0.00 0.00 179.01 178.51 2nt3 h ARG 115 N 1.26 0.97 -0.38 2.33 2.47 -0.72 -0.82 114.38 119.50 2nt3 h ARG 115 Ca 0.33 -0.32 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2nt3 h ARG 115 Cb -0.07 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.13 2nt3 h ARG 115 CO -0.06 0.98 0.17 0.00 0.56 0.00 0.00 179.97 181.62 2nt3 h ALA 116 N 1.05 0.47 -0.72 0.04 0.00 -0.88 0.10 119.26 119.32 2nt3 h ALA 116 Ca 0.15 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2nt3 h ALA 116 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2nt3 h ALA 116 CO 0.04 -0.21 0.19 0.78 0.00 0.00 0.00 179.25 180.04 2nt3 h GLY 117 N 0.35 1.23 1.41 0.00 0.00 -1.06 -1.13 103.07 103.87 2nt3 h GLY 117 Ca 0.17 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 2nt3 h GLY 117 CO -0.14 0.71 -0.04 0.00 0.00 0.00 0.00 176.54 177.07 2nt3 h ALA 118 N 1.09 1.13 0.13 3.60 0.00 -0.82 0.62 119.26 125.01 2nt3 h ALA 118 Ca 0.23 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2nt3 h ALA 118 Cb 0.36 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.00 2nt3 h ALA 118 CO 0.00 0.55 -1.10 -0.07 0.00 0.00 0.00 179.25 178.63 2nt3 h LEU 119 N 0.67 0.75 -0.66 0.00 3.38 -0.39 -3.40 115.31 115.66 2nt3 h LEU 119 Ca 0.13 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2nt3 h LEU 119 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nt3 h LEU 119 CO 0.02 1.53 0.00 2.30 0.09 0.00 0.00 178.44 182.38 2nt3 n ILE 120 N -3.91 0.00 0.00 1.22 -5.35 -0.48 -5.05 119.36 105.78 2nt3 n ILE 120 Ca -0.14 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2nt3 n ILE 120 Cb 0.93 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.92 2nt3 n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nt3 n GLY 121 N 0.22 0.45 3.74 3.28 0.00 0.21 -4.95 105.19 108.13 2nt3 n GLY 121 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2nt3 n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nt3 s PHE 122 N -1.50 3.39 -2.00 1.61 0.08 -1.24 -4.64 117.98 113.67 2nt3 s PHE 122 Ca 0.00 1.41 0.19 0.00 0.12 0.00 0.00 56.93 58.65 2nt3 s PHE 122 Cb 0.00 -3.47 1.16 0.00 -0.57 0.00 0.00 43.02 40.14 2nt3 s PHE 122 CO 0.00 -1.32 1.55 -0.35 -0.10 0.00 0.00 175.22 175.00