#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnl h GLU 6 N 0.00 0.50 -0.09 4.33 4.57 -2.03 0.80 114.58 122.65 1nnl h GLU 6 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1nnl h GLU 6 Cb 0.00 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1nnl h GLU 6 CO 0.00 0.35 0.01 1.25 -1.18 0.00 0.00 179.01 179.44 1nnl h LEU 7 N 0.49 -0.01 -1.24 1.64 5.85 -1.99 -1.77 115.31 118.28 1nnl h LEU 7 Ca 0.13 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1nnl h LEU 7 Cb -0.03 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1nnl h LEU 7 CO -0.03 0.01 0.09 0.03 -0.34 0.00 0.00 178.44 178.20 1nnl h ARG 8 N 0.04 0.62 -0.55 1.25 3.08 -1.83 0.40 114.38 117.39 1nnl h ARG 8 Ca 0.04 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1nnl h ARG 8 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1nnl h ARG 8 CO -0.06 0.57 0.24 -0.22 -1.07 0.00 0.00 179.97 179.43 1nnl h LYS 9 N 0.60 0.82 0.25 0.04 3.64 -0.43 -0.03 116.57 121.46 1nnl h LYS 9 Ca 0.14 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nnl h LYS 9 Cb 0.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1nnl h LYS 9 CO -0.00 0.70 -0.12 1.25 -2.27 0.00 0.00 179.45 179.01 1nnl h LEU 10 N 0.75 -0.29 -0.65 5.20 5.85 -0.79 -2.48 115.31 122.90 1nnl h LEU 10 Ca 0.19 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1nnl h LEU 10 Cb 0.17 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1nnl h LEU 10 CO -0.02 0.02 0.21 0.15 -0.34 0.00 0.00 178.44 178.46 1nnl h PHE 11 N -0.60 0.36 0.00 1.25 3.57 -0.81 -0.77 116.94 119.94 1nnl h PHE 11 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nnl h PHE 11 Cb 0.44 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1nnl h PHE 11 CO 0.01 0.04 0.00 0.66 -2.23 0.00 0.00 178.31 176.79 1nnl n TYR 12 N -5.04 0.82 1.15 0.41 4.02 -0.04 -2.63 117.16 115.85 1nnl n TYR 12 Ca 0.10 0.30 0.13 0.00 -0.01 0.00 0.00 57.90 58.43 1nnl n TYR 12 Cb 0.33 -0.99 0.50 0.00 -0.02 0.00 0.00 39.34 39.16 1nnl n TYR 12 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1nnl n SER 13 N -2.23 0.33 -4.76 7.72 3.41 -0.30 -4.88 113.62 112.91 1nnl n SER 13 Ca 0.03 -0.12 -0.40 0.00 -0.26 0.00 0.00 58.87 58.12 1nnl n SER 13 Cb 0.27 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1nnl n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nnl s ALA 14 N -2.81 3.40 -1.00 7.33 0.00 -1.08 -4.75 121.76 122.86 1nnl s ALA 14 Ca 0.18 0.88 0.18 0.00 0.00 0.00 0.00 51.96 53.21 1nnl s ALA 14 Cb 0.19 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.82 1nnl s ALA 14 CO 0.56 -0.15 0.80 -0.40 0.00 0.00 0.00 175.76 176.57 1nnl n ASP 15 N 1.29 1.01 -3.74 0.00 5.75 -0.48 -4.88 116.55 115.51 1nnl n ASP 15 Ca -0.01 -1.01 -0.12 0.00 -0.01 0.00 0.00 54.79 53.64 1nnl n ASP 15 Cb 0.45 0.91 -0.11 0.00 -1.03 0.00 0.00 41.12 41.34 1nnl n ASP 15 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nnl s ALA 16 N -2.63 -0.84 -0.09 2.12 0.00 -1.15 -1.59 121.76 117.58 1nnl s ALA 16 Ca 0.08 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1nnl s ALA 16 Cb 0.14 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1nnl s ALA 16 CO 0.70 -0.18 -0.09 0.08 0.00 0.00 0.00 175.76 176.26 1nnl s VAL 17 N 0.54 1.04 -0.20 0.00 1.01 0.03 -1.44 120.40 121.38 1nnl s VAL 17 Ca -0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1nnl s VAL 17 Cb -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1nnl s VAL 17 CO -0.03 0.35 0.02 0.00 0.00 0.00 0.00 175.10 175.44 1nnl s PHE 19 N 0.94 3.06 0.55 0.00 0.40 0.22 -0.69 117.98 122.45 1nnl s PHE 19 Ca 0.02 0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.18 1nnl s PHE 19 Cb -0.14 -1.82 -0.06 0.00 0.51 0.00 0.00 43.02 41.51 1nnl s PHE 19 CO 0.02 0.28 1.06 0.34 0.70 0.00 0.00 175.22 177.62 1nnl s ASP 20 N -0.49 5.98 -0.07 1.36 -1.08 -0.38 -1.21 116.67 120.78 1nnl s ASP 20 Ca 0.08 1.89 -0.06 0.00 -0.52 0.00 0.00 52.55 53.93 1nnl s ASP 20 Cb -0.12 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.77 1nnl s ASP 20 CO 0.02 -1.03 -0.12 0.52 0.52 0.00 0.00 175.17 175.08 1nnl n VAL 21 N -1.59 0.69 -1.70 1.11 0.31 -1.21 -3.14 118.33 112.78 1nnl n VAL 21 Ca 0.09 0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 64.35 1nnl n VAL 21 Cb 0.53 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 1nnl n VAL 21 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1nnl s ASP 22 N -4.71 6.47 0.00 4.52 1.01 -1.26 -1.43 116.67 121.27 1nnl s ASP 22 Ca -0.10 2.64 0.00 0.00 0.71 0.00 0.00 52.55 55.80 1nnl s ASP 22 Cb 0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1nnl s ASP 22 CO 0.15 -1.04 0.00 -1.20 0.21 0.00 0.00 175.17 173.29 1nnl n SER 23 N 7.42 0.00 0.00 0.27 7.64 -0.50 -4.82 113.62 123.63 1nnl n SER 23 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1nnl n SER 23 Cb 0.41 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1nnl n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nnl n THR 24 N -2.00 0.00 0.08 0.44 -1.04 -0.71 -4.39 114.28 106.67 1nnl n THR 24 Ca 0.00 0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1nnl n THR 24 Cb 0.00 -0.88 0.12 0.00 -1.82 0.00 0.00 70.33 67.74 1nnl n THR 24 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nnl h VAL 25 N 0.00 1.38 -2.44 12.58 2.07 -1.19 -3.42 116.25 125.23 1nnl h VAL 25 Ca 0.00 -1.97 -0.55 0.00 0.82 0.00 0.00 66.70 65.00 1nnl h VAL 25 Cb 0.00 1.99 -0.14 0.00 -1.52 0.00 0.00 31.29 31.62 1nnl h VAL 25 CO 0.00 0.58 -0.74 0.27 0.02 0.00 0.00 177.57 177.70 1nnl s ILE 26 N -3.77 2.17 0.12 4.57 -4.36 -0.81 -0.92 121.20 118.20 1nnl s ILE 26 Ca -0.04 -2.32 -0.04 0.00 -0.26 0.00 0.00 60.65 57.99 1nnl s ILE 26 Cb 0.12 -2.24 -0.19 0.00 1.25 0.00 0.00 42.46 41.39 1nnl s ILE 26 CO 0.80 -0.45 1.29 0.03 0.24 0.00 0.00 174.94 176.85 1nnl h ARG 27 N 2.35 0.37 0.00 0.37 3.08 -1.41 -1.31 114.38 117.83 1nnl h ARG 27 Ca -0.39 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.20 1nnl h ARG 27 Cb 1.24 0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.43 1nnl h ARG 27 CO 0.62 1.11 0.01 0.39 -1.07 0.00 0.00 179.97 181.03 1nnl n GLU 28 N -3.71 0.47 -4.00 0.04 4.71 -1.26 -4.19 120.64 112.70 1nnl n GLU 28 Ca -0.07 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.16 56.60 1nnl n GLU 28 Cb 0.86 -0.05 -0.16 0.00 -1.01 0.00 0.00 31.44 31.08 1nnl n GLU 28 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1nnl s GLU 29 N -2.66 2.01 0.16 3.49 2.12 -1.26 -2.37 118.70 120.19 1nnl s GLU 29 Ca 0.05 -0.92 -0.29 0.00 0.36 0.00 0.00 54.97 54.16 1nnl s GLU 29 Cb -0.00 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1nnl s GLU 29 CO 0.03 -0.47 1.55 0.78 -0.54 0.00 0.00 175.26 176.61 1nnl h GLY 30 N 7.95 -0.73 1.41 -1.50 0.00 -1.98 -0.02 103.07 108.21 1nnl h GLY 30 Ca -0.26 0.72 0.07 0.00 0.00 0.00 0.00 47.33 47.86 1nnl h GLY 30 CO 0.47 -0.05 0.24 1.19 0.00 0.00 0.00 176.54 178.39 1nnl h ILE 31 N -0.13 0.91 -0.25 2.60 2.10 -1.97 -1.17 117.51 119.61 1nnl h ILE 31 Ca 0.16 -0.06 -0.04 0.00 1.08 0.00 0.00 64.86 66.01 1nnl h ILE 31 Cb 0.50 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 36.94 1nnl h ILE 31 CO -0.83 0.03 0.02 -0.78 -1.08 0.00 0.00 178.15 175.51 1nnl h ASP 32 N 0.18 0.42 -0.78 2.19 -0.00 -1.46 -1.51 116.42 115.46 1nnl h ASP 32 Ca 0.16 -0.29 -0.04 0.00 -0.00 0.00 0.00 57.03 56.86 1nnl h ASP 32 Cb 0.41 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 39.59 1nnl h ASP 32 CO -0.02 0.60 0.34 -0.33 -0.00 0.00 0.00 179.24 179.82 1nnl h GLU 33 N 0.22 1.15 -0.47 0.28 4.39 -0.56 -2.16 114.58 117.41 1nnl h GLU 33 Ca 0.07 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1nnl h GLU 33 Cb 0.38 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1nnl h GLU 33 CO 0.01 0.91 0.08 1.25 -1.16 0.00 0.00 179.01 180.10 1nnl h LEU 34 N 1.11 0.69 -0.88 1.33 5.85 -1.14 -1.71 115.31 120.57 1nnl h LEU 34 Ca 0.26 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1nnl h LEU 34 Cb 0.18 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1nnl h LEU 34 CO -0.03 0.71 0.12 0.00 -0.34 0.00 0.00 178.44 178.90 1nnl h ALA 35 N 1.38 1.08 -0.12 1.25 0.00 -0.75 -2.27 119.26 119.83 1nnl h ALA 35 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nnl h ALA 35 Cb 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nnl h ALA 35 CO 0.00 0.60 -0.03 0.87 0.00 0.00 0.00 179.25 180.69 1nnl h LYS 36 N 0.91 0.23 0.00 0.00 1.57 -0.80 0.29 116.57 118.77 1nnl h LYS 36 Ca 0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1nnl h LYS 36 Cb 0.36 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1nnl h LYS 36 CO 0.00 0.54 -0.05 0.97 -0.57 0.00 0.00 179.45 180.35 1nnl h ILE 37 N -0.09 0.87 -0.01 1.86 6.09 -1.23 -0.20 117.51 124.80 1nnl h ILE 37 Ca 0.03 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1nnl h ILE 37 Cb 0.46 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.85 1nnl h ILE 37 CO 0.01 0.05 -0.26 0.00 -3.07 0.00 0.00 178.15 174.88 1nnl n GLY 39 N 1.34 0.05 0.79 0.00 0.00 -0.09 -4.97 105.19 102.31 1nnl n GLY 39 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1nnl n GLY 39 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nnl n VAL 40 N -2.76 0.02 -0.09 1.61 0.24 -0.01 -4.88 118.33 112.45 1nnl n VAL 40 Ca -0.13 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 1nnl n VAL 40 Cb 0.58 0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 1nnl n VAL 40 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1nnl h GLU 41 N 0.29 0.42 -0.52 7.34 5.08 -1.88 0.99 114.58 126.30 1nnl h GLU 41 Ca -0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1nnl h GLU 41 Cb 1.54 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 1nnl h GLU 41 CO 0.03 0.36 0.31 0.38 -1.00 0.00 0.00 179.01 179.08 1nnl h ASP 42 N 0.37 0.64 0.98 1.42 2.03 -1.93 -1.64 116.42 118.28 1nnl h ASP 42 Ca 0.11 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1nnl h ASP 42 Cb 0.06 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 1nnl h ASP 42 CO -0.02 0.52 0.00 0.00 -1.03 0.00 0.00 179.24 178.71 1nnl n ALA 43 N -2.28 1.86 -1.78 4.15 0.00 -1.09 -5.28 120.51 116.09 1nnl n ALA 43 Ca 0.03 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1nnl n ALA 43 Cb 0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 1nnl n ALA 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nnl s VAL 44 N -3.26 3.72 0.00 0.00 0.11 0.32 -5.12 120.40 116.17 1nnl s VAL 44 Ca 0.06 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 1nnl s VAL 44 Cb 0.10 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1nnl s VAL 44 CO 0.46 0.01 0.00 -2.65 -3.33 0.00 0.00 175.10 169.59 1nnl n PRO 57 N -0.06 0.00 -0.04 1.54 -0.02 -1.26 -4.98 135.00 130.18 1nnl n PRO 57 Ca 0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.41 1nnl n PRO 57 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 1nnl n PRO 57 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1nnl h PHE 58 N 0.00 0.26 -0.52 6.00 3.57 -1.92 -2.15 116.94 122.19 1nnl h PHE 58 Ca 0.00 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1nnl h PHE 58 Cb 0.00 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1nnl h PHE 58 CO 0.00 0.49 0.30 -0.22 -2.23 0.00 0.00 178.31 176.65 1nnl h LYS 59 N -0.04 0.57 -0.72 1.11 3.64 -1.89 0.69 116.57 119.93 1nnl h LYS 59 Ca 0.04 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1nnl h LYS 59 Cb 0.40 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1nnl h LYS 59 CO 0.01 0.38 0.21 0.00 -2.27 0.00 0.00 179.45 177.78 1nnl h ALA 60 N 1.24 0.94 -0.30 5.00 0.00 -1.88 -1.61 119.26 122.66 1nnl h ALA 60 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nnl h ALA 60 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nnl h ALA 60 CO -0.11 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.84 1nnl h ALA 61 N 1.11 0.40 -0.39 0.00 0.00 -0.88 -2.10 119.26 117.40 1nnl h ALA 61 Ca 0.23 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nnl h ALA 61 Cb 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1nnl h ALA 61 CO -0.00 0.07 0.18 1.25 0.00 0.00 0.00 179.25 180.74 1nnl h LEU 62 N 0.32 0.24 -0.50 0.00 5.85 -0.66 -1.06 115.31 119.51 1nnl h LEU 62 Ca 0.09 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1nnl h LEU 62 Cb 0.31 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1nnl h LEU 62 CO 0.00 0.18 0.31 0.74 -0.34 0.00 0.00 178.44 179.33 1nnl h THR 63 N 0.37 1.08 0.06 1.05 2.02 -1.19 -1.38 112.91 114.92 1nnl h THR 63 Ca 0.17 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1nnl h THR 63 Cb 0.10 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1nnl h THR 63 CO -0.14 0.11 -0.09 -0.33 0.37 0.00 0.00 175.52 175.45 1nnl h GLU 64 N 0.62 -0.18 -0.39 6.66 5.08 -0.89 0.11 114.58 125.60 1nnl h GLU 64 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1nnl h GLU 64 Cb -0.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1nnl h GLU 64 CO -0.07 -0.12 0.22 0.00 -1.00 0.00 0.00 179.01 178.04 1nnl h ARG 65 N -0.18 0.43 0.00 2.33 3.08 -1.01 -2.05 114.38 116.99 1nnl h ARG 65 Ca 0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1nnl h ARG 65 Cb 0.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1nnl h ARG 65 CO -0.04 0.29 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.78 1nnl h LEU 66 N 0.45 0.00 -1.23 3.04 3.38 -1.11 -2.11 115.31 117.72 1nnl h LEU 66 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1nnl h LEU 66 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1nnl h LEU 66 CO -0.09 0.29 -0.07 0.00 0.09 0.00 0.00 178.44 178.66 1nnl h ALA 67 N 1.71 1.37 0.17 1.53 0.00 -0.05 0.69 119.26 124.69 1nnl h ALA 67 Ca -0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 1nnl h ALA 67 Cb 0.70 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1nnl h ALA 67 CO 0.04 0.43 -1.57 1.25 0.00 0.00 0.00 179.25 179.40 1nnl h LEU 68 N 0.42 0.58 -0.00 0.00 5.85 -1.22 -3.37 115.31 117.57 1nnl h LEU 68 Ca 0.09 -0.75 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 1nnl h LEU 68 Cb 0.39 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1nnl h LEU 68 CO 0.02 1.61 -0.00 0.40 -0.34 0.00 0.00 178.44 180.13 1nnl h ILE 69 N 0.10 1.55 -6.62 4.05 2.04 -1.15 -3.48 117.51 114.00 1nnl h ILE 69 Ca -0.27 -1.63 -0.53 0.00 1.00 0.00 0.00 64.86 63.44 1nnl h ILE 69 Cb 2.08 2.66 0.02 0.00 -0.74 0.00 0.00 36.82 40.84 1nnl h ILE 69 CO 0.20 0.42 -0.98 0.00 0.00 0.00 0.00 178.15 177.80 1nnl n GLN 70 N -4.76 -0.83 -2.18 2.37 6.02 0.24 -4.86 117.38 113.38 1nnl n GLN 70 Ca -0.09 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 1nnl n GLN 70 Cb 0.34 -3.34 -0.03 0.00 1.02 0.00 0.00 30.24 28.24 1nnl n GLN 70 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nnl s PRO 71 N -6.78 4.34 0.53 -1.09 0.04 -1.26 -4.55 135.00 126.22 1nnl s PRO 71 Ca 0.44 2.07 -0.04 0.00 0.04 0.00 0.00 61.00 63.51 1nnl s PRO 71 Cb -0.21 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1nnl s PRO 71 CO 0.92 -0.37 0.82 -1.54 0.04 0.00 0.00 177.00 176.87 1nnl s SER 72 N 0.82 5.84 0.30 6.66 1.04 -1.26 -3.55 113.70 123.55 1nnl s SER 72 Ca 0.62 0.68 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 1nnl s SER 72 Cb -0.37 -1.83 0.46 0.00 0.10 0.00 0.00 66.02 64.39 1nnl s SER 72 CO 0.33 -0.84 1.96 -0.09 0.98 0.00 0.00 173.24 175.58 1nnl h ARG 73 N 0.07 1.04 -0.85 4.02 2.43 -1.30 -1.65 114.38 118.14 1nnl h ARG 73 Ca -0.46 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.60 1nnl h ARG 73 Cb 1.24 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 1nnl h ARG 73 CO 0.60 0.70 0.40 0.93 -1.51 0.00 0.00 179.97 181.10 1nnl h GLU 74 N 1.06 1.23 -0.50 0.20 3.07 -1.94 -0.06 114.58 117.65 1nnl h GLU 74 Ca 0.28 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 1nnl h GLU 74 Cb -0.09 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.58 1nnl h GLU 74 CO -0.06 0.95 -0.13 1.96 -1.40 0.00 0.00 179.01 180.33 1nnl h GLN 75 N 1.21 0.95 -0.52 2.33 4.20 -1.74 0.37 115.11 121.90 1nnl h GLN 75 Ca 0.29 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1nnl h GLN 75 Cb 0.13 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1nnl h GLN 75 CO -0.04 1.02 -0.11 0.28 -0.67 0.00 0.00 178.83 179.31 1nnl h VAL 76 N 0.84 1.27 -0.85 -0.54 2.07 -0.97 -1.01 116.25 117.06 1nnl h VAL 76 Ca 0.13 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1nnl h VAL 76 Cb 0.68 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1nnl h VAL 76 CO 0.05 0.44 0.43 -0.61 0.02 0.00 0.00 177.57 177.90 1nnl h GLN 77 N 0.88 1.20 -0.09 1.57 4.15 -0.67 -1.92 115.11 120.23 1nnl h GLN 77 Ca 0.14 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1nnl h GLN 77 Cb 0.66 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1nnl h GLN 77 CO 0.05 0.91 0.05 0.00 -1.93 0.00 0.00 178.83 177.90 1nnl h ARG 78 N 1.20 0.12 -0.20 1.69 3.08 -0.43 -1.68 114.38 118.16 1nnl h ARG 78 Ca 0.29 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.38 1nnl h ARG 78 Cb 0.08 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1nnl h ARG 78 CO -0.04 0.17 -0.17 1.25 -1.07 0.00 0.00 179.97 180.10 1nnl h LEU 79 N 0.04 -0.55 -0.47 3.04 5.85 -0.83 0.75 115.31 123.14 1nnl h LEU 79 Ca 0.03 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1nnl h LEU 79 Cb 0.08 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1nnl h LEU 79 CO -0.00 -0.21 0.23 0.40 -0.34 0.00 0.00 178.44 178.52 1nnl h ILE 80 N -0.18 0.96 0.19 4.05 2.04 -1.21 0.29 117.51 123.64 1nnl h ILE 80 Ca 0.12 -0.16 -0.31 0.00 1.00 0.00 0.00 64.86 65.51 1nnl h ILE 80 Cb 0.36 0.45 0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1nnl h ILE 80 CO -0.31 0.08 -1.33 0.00 0.00 0.00 0.00 178.15 176.60 1nnl h ALA 81 N 1.26 -0.09 0.13 1.87 0.00 -0.88 -3.34 119.26 118.20 1nnl h ALA 81 Ca 0.21 -0.81 -0.34 0.00 0.00 0.00 0.00 54.91 53.97 1nnl h ALA 81 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nnl h ALA 81 CO -0.15 0.66 -1.78 0.93 0.00 0.00 0.00 179.25 178.91 1nnl h GLU 82 N 0.16 0.27 -2.19 0.00 5.08 0.54 -3.42 114.58 115.03 1nnl h GLU 82 Ca -0.22 -0.46 -0.56 0.00 -1.00 0.00 0.00 59.36 57.12 1nnl h GLU 82 Cb 2.02 0.17 -0.41 0.00 0.50 0.00 0.00 28.75 31.03 1nnl h GLU 82 CO 0.25 1.14 -0.81 1.04 -1.00 0.00 0.00 179.01 179.63 1nnl n GLN 83 N -3.46 2.42 -1.85 2.33 1.13 0.10 -5.04 117.38 113.02 1nnl n GLN 83 Ca -0.24 -4.36 -0.37 0.00 -1.94 0.00 0.00 57.00 50.08 1nnl n GLN 83 Cb 1.06 -2.05 0.04 0.00 0.11 0.00 0.00 30.24 29.40 1nnl n GLN 83 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nnl s PRO 84 N -2.97 3.01 0.73 -1.09 0.04 -1.23 -4.73 135.00 128.75 1nnl s PRO 84 Ca 0.45 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 63.46 1nnl s PRO 84 Cb 0.28 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.75 1nnl s PRO 84 CO -0.11 -1.25 1.09 -1.25 0.04 0.00 0.00 177.00 175.52 1nnl s PRO 85 N -3.08 2.54 -0.27 0.56 0.04 -1.26 -5.01 135.00 128.51 1nnl s PRO 85 Ca 0.75 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 1nnl s PRO 85 Cb -0.37 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1nnl s PRO 85 CO 0.42 -1.43 0.29 -1.01 0.04 0.00 0.00 177.00 175.31 1nnl s HIS 86 N -2.79 3.24 0.29 0.56 3.76 -1.26 -5.01 115.29 114.08 1nnl s HIS 86 Ca 0.62 0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 55.53 1nnl s HIS 86 Cb -0.17 -2.48 -0.10 0.00 1.11 0.00 0.00 32.58 30.94 1nnl s HIS 86 CO 0.52 -0.18 1.27 -0.51 -0.85 0.00 0.00 174.74 174.99 1nnl s LEU 87 N 1.88 4.45 0.34 0.89 1.43 -1.26 -1.08 118.68 125.33 1nnl s LEU 87 Ca 0.12 2.54 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 1nnl s LEU 87 Cb -0.16 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.32 1nnl s LEU 87 CO 0.10 -0.46 1.44 -0.89 0.23 0.00 0.00 176.35 176.77 1nnl s THR 88 N -0.81 2.31 0.27 5.49 2.01 -0.10 -4.80 115.64 120.02 1nnl s THR 88 Ca 0.50 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1nnl s THR 88 Cb -0.38 -3.19 -0.13 0.00 0.01 0.00 0.00 72.50 68.81 1nnl s THR 88 CO 0.47 0.07 1.32 -2.65 -0.69 0.00 0.00 174.62 173.14 1nnl n PRO 89 N 0.92 1.94 0.00 4.92 -0.02 -1.26 -2.04 135.00 139.46 1nnl n PRO 89 Ca 0.02 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1nnl n PRO 89 Cb 0.40 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1nnl n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nnl n GLY 90 N 1.68 2.99 0.22 -1.23 0.00 -1.26 -4.50 105.19 103.09 1nnl n GLY 90 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1nnl n GLY 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nnl h ILE 91 N 0.00 1.29 -0.24 -0.61 6.09 -1.77 -0.86 117.51 121.41 1nnl h ILE 91 Ca 0.00 -1.47 -0.01 0.00 -1.37 0.00 0.00 64.86 62.02 1nnl h ILE 91 Cb 0.00 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 1nnl h ILE 91 CO 0.00 0.46 0.12 0.03 -3.07 0.00 0.00 178.15 175.69 1nnl h ARG 92 N 0.40 0.34 -0.49 2.19 3.08 -1.91 -0.40 114.38 117.59 1nnl h ARG 92 Ca 0.04 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1nnl h ARG 92 Cb 0.81 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1nnl h ARG 92 CO 0.07 0.34 -0.16 1.49 -1.07 0.00 0.00 179.97 180.63 1nnl h GLU 93 N 0.26 0.96 -0.20 0.04 4.81 -1.93 -1.48 114.58 117.04 1nnl h GLU 93 Ca 0.08 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1nnl h GLU 93 Cb 0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1nnl h GLU 93 CO -0.01 1.04 0.07 1.25 -0.73 0.00 0.00 179.01 180.63 1nnl h LEU 94 N 0.85 0.29 -0.98 1.64 5.85 -0.95 -0.98 115.31 121.03 1nnl h LEU 94 Ca 0.12 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1nnl h LEU 94 Cb 0.72 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1nnl h LEU 94 CO 0.05 0.41 0.02 0.58 -0.34 0.00 0.00 178.44 179.16 1nnl h VAL 95 N 0.16 1.23 -0.53 1.05 2.07 -1.05 -1.01 116.25 118.18 1nnl h VAL 95 Ca 0.07 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1nnl h VAL 95 Cb 0.22 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1nnl h VAL 95 CO -0.00 0.33 0.34 0.28 0.02 0.00 0.00 177.57 178.54 1nnl h SER 96 N 0.71 0.62 -0.50 0.57 0.02 -0.95 0.19 113.55 114.21 1nnl h SER 96 Ca 0.14 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1nnl h SER 96 Cb 0.41 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1nnl h SER 96 CO 0.02 0.46 -0.04 0.03 -1.14 0.00 0.00 176.83 176.16 1nnl h ARG 97 N 0.72 0.95 -0.38 3.45 3.08 -0.79 -1.07 114.38 120.34 1nnl h ARG 97 Ca 0.19 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1nnl h ARG 97 Cb -0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1nnl h ARG 97 CO -0.04 0.96 0.12 -0.07 -1.07 0.00 0.00 179.97 179.87 1nnl h LEU 98 N 0.87 0.55 -1.02 3.04 3.38 -0.75 -2.48 115.31 118.91 1nnl h LEU 98 Ca 0.15 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1nnl h LEU 98 Cb 0.56 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1nnl h LEU 98 CO 0.03 0.61 -0.35 1.56 0.09 0.00 0.00 178.44 180.38 1nnl h GLN 99 N 0.46 0.26 0.00 1.13 4.20 -0.80 -0.13 115.11 120.23 1nnl h GLN 99 Ca 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1nnl h GLN 99 Cb 0.25 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1nnl h GLN 99 CO -0.00 0.58 -0.08 0.93 -0.67 0.00 0.00 178.83 179.59 1nnl h GLU 100 N 0.23 0.00 -0.69 1.46 5.08 -0.96 -1.14 114.58 118.56 1nnl h GLU 100 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1nnl h GLU 100 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1nnl h GLU 100 CO 0.06 0.08 0.00 0.54 -1.00 0.00 0.00 179.01 178.68 1nnl n ARG 101 N -3.27 2.59 -1.71 2.33 1.74 -0.80 -4.95 116.66 112.59 1nnl n ARG 101 Ca -0.00 -2.47 -0.18 0.00 -0.77 0.00 0.00 57.85 54.43 1nnl n ARG 101 Cb 0.29 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1nnl n ARG 101 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nnl n ASN 102 N 1.52 -5.13 -4.72 0.55 5.15 -0.43 -4.98 115.26 107.22 1nnl n ASN 102 Ca 0.23 0.32 -0.42 0.00 -0.60 0.00 0.00 54.58 54.12 1nnl n ASN 102 Cb 0.58 -4.18 -0.03 0.00 -0.53 0.00 0.00 39.78 35.61 1nnl n ASN 102 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1nnl s VAL 103 N -2.71 4.32 -0.06 3.44 1.01 -0.13 -4.98 120.40 121.29 1nnl s VAL 103 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1nnl s VAL 103 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1nnl s VAL 103 CO 0.00 0.18 1.09 -1.10 0.00 0.00 0.00 175.10 175.27 1nnl s GLN 104 N 0.68 4.41 -0.13 2.72 -1.52 -0.62 -4.29 119.66 120.91 1nnl s GLN 104 Ca 0.54 1.53 -0.02 0.00 -1.95 0.00 0.00 55.36 55.45 1nnl s GLN 104 Cb -0.26 -3.53 -0.03 0.00 -0.22 0.00 0.00 33.01 28.98 1nnl s GLN 104 CO 0.30 -0.34 -0.06 0.08 -0.25 0.00 0.00 175.29 175.02 1nnl s VAL 105 N 1.93 3.67 0.14 1.09 1.01 -1.26 -0.79 120.40 126.19 1nnl s VAL 105 Ca 0.52 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1nnl s VAL 105 Cb -0.22 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1nnl s VAL 105 CO 0.21 0.52 -0.17 -0.36 0.00 0.00 0.00 175.10 175.30 1nnl s PHE 106 N 0.10 1.67 -0.10 5.22 0.40 -0.39 -4.85 117.98 120.02 1nnl s PHE 106 Ca -0.02 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 55.86 1nnl s PHE 106 Cb -0.14 -0.86 -0.00 0.00 0.51 0.00 0.00 43.02 42.53 1nnl s PHE 106 CO 0.03 0.24 -0.23 -0.51 0.70 0.00 0.00 175.22 175.46 1nnl s LEU 107 N -2.45 2.14 -0.07 -0.37 1.43 -0.58 -0.61 118.68 118.17 1nnl s LEU 107 Ca 0.12 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1nnl s LEU 107 Cb -0.06 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1nnl s LEU 107 CO 0.05 0.16 -0.13 -0.63 0.23 0.00 0.00 176.35 176.03 1nnl s ILE 108 N 0.36 1.17 -0.00 -0.59 1.01 -0.35 -0.87 121.20 121.93 1nnl s ILE 108 Ca -0.18 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1nnl s ILE 108 Cb -0.18 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.25 1nnl s ILE 108 CO 0.08 0.36 0.35 -0.55 0.00 0.00 0.00 174.94 175.19 1nnl s SER 109 N 0.64 -0.23 0.00 3.58 0.15 -0.31 -3.34 113.70 114.19 1nnl s SER 109 Ca -0.15 0.09 0.24 0.00 0.70 0.00 0.00 55.95 56.84 1nnl s SER 109 Cb -0.16 0.35 1.06 0.00 -1.71 0.00 0.00 66.02 65.57 1nnl s SER 109 CO 0.04 -0.51 1.73 0.61 1.20 0.00 0.00 173.24 176.31 1nnl n GLY 110 N 1.05 -0.19 0.00 9.45 0.00 -1.26 -3.96 105.19 110.28 1nnl n GLY 110 Ca -0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1nnl n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnl n GLY 111 N 1.07 -0.17 3.41 -0.02 0.00 -1.26 -4.63 105.19 103.59 1nnl n GLY 111 Ca 0.18 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1nnl n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nnl s PHE 112 N 0.09 2.63 0.26 1.61 0.08 -1.26 -0.71 117.98 120.67 1nnl s PHE 112 Ca 0.00 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 1nnl s PHE 112 Cb 0.00 -1.63 0.52 0.00 -0.57 0.00 0.00 43.02 41.34 1nnl s PHE 112 CO 0.00 0.06 1.73 -0.09 -0.10 0.00 0.00 175.22 176.81 1nnl h ARG 113 N 5.61 0.44 -0.93 0.44 2.43 -0.86 0.98 114.38 122.49 1nnl h ARG 113 Ca -0.42 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 58.85 1nnl h ARG 113 Cb 1.16 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.53 1nnl h ARG 113 CO 0.50 0.29 0.59 0.66 -1.51 0.00 0.00 179.97 180.51 1nnl h SER 114 N 0.45 0.78 0.07 -3.80 4.64 -1.96 0.24 113.55 113.97 1nnl h SER 114 Ca 0.45 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.63 1nnl h SER 114 Cb 0.71 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1nnl h SER 114 CO -0.43 0.42 -0.90 0.40 -0.87 0.00 0.00 176.83 175.45 1nnl h ILE 115 N 0.84 1.29 -0.24 0.95 2.04 -1.65 -3.36 117.51 117.39 1nnl h ILE 115 Ca 0.46 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 1nnl h ILE 115 Cb 0.57 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1nnl h ILE 115 CO -0.22 0.60 -0.01 0.58 0.00 0.00 0.00 178.15 179.10 1nnl h VAL 116 N -0.65 1.15 0.00 1.67 2.07 -0.60 -2.07 116.25 117.83 1nnl h VAL 116 Ca -0.21 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1nnl h VAL 116 Cb 1.44 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1nnl h VAL 116 CO 0.00 0.20 -0.16 -0.33 0.02 0.00 0.00 177.57 177.31 1nnl h GLU 117 N 0.34 0.00 -0.08 1.57 5.08 -0.68 0.86 114.58 121.68 1nnl h GLU 117 Ca 0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1nnl h GLU 117 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1nnl h GLU 117 CO 0.01 0.16 -0.70 0.45 -1.00 0.00 0.00 179.01 177.92 1nnl h HIS 118 N 0.00 0.48 -0.31 4.33 3.86 -1.52 -0.30 115.15 121.69 1nnl h HIS 118 Ca -0.00 -0.21 -0.12 0.00 -1.16 0.00 0.00 60.37 58.89 1nnl h HIS 118 Cb 0.32 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1nnl h HIS 118 CO 0.00 0.94 -0.26 0.28 0.86 0.00 0.00 177.93 179.75 1nnl h VAL 119 N 0.25 1.30 -0.48 2.45 2.07 -1.26 -2.75 116.25 117.81 1nnl h VAL 119 Ca -0.02 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1nnl h VAL 119 Cb 1.26 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1nnl h VAL 119 CO 0.12 0.46 0.31 0.00 0.02 0.00 0.00 177.57 178.48 1nnl h ALA 120 N 0.73 0.62 -0.87 1.67 0.00 -0.71 -2.57 119.26 118.13 1nnl h ALA 120 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nnl h ALA 120 Cb 0.82 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1nnl h ALA 120 CO 0.07 0.07 0.57 0.66 0.00 0.00 0.00 179.25 180.62 1nnl h SER 121 N 0.65 0.94 0.79 0.00 4.64 -0.98 -0.05 113.55 119.54 1nnl h SER 121 Ca 0.18 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1nnl h SER 121 Cb -0.06 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1nnl h SER 121 CO -0.04 0.65 -0.03 0.11 -0.87 0.00 0.00 176.83 176.65 1nnl h LYS 122 N 1.09 0.00 -0.40 4.77 1.57 -1.16 -2.57 116.57 119.87 1nnl h LYS 122 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1nnl h LYS 122 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nnl h LYS 122 CO -0.10 0.03 0.00 1.28 -0.57 0.00 0.00 179.45 180.10 1nnl n LEU 123 N -3.17 3.12 -2.41 2.94 4.77 -0.23 -4.97 117.00 117.06 1nnl n LEU 123 Ca -0.00 -1.77 -0.21 0.00 -0.03 0.00 0.00 56.01 54.00 1nnl n LEU 123 Cb 0.27 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1nnl n LEU 123 CO 0.27 0.74 -0.26 0.59 -1.33 0.00 0.00 177.39 177.40 1nnl n ASN 124 N 0.96 -5.91 -4.60 -1.43 3.02 -0.30 -4.88 115.26 102.13 1nnl n ASN 124 Ca 0.15 -0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1nnl n ASN 124 Cb 0.48 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 34.65 1nnl n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nnl s ILE 125 N -3.04 5.14 0.65 2.41 1.01 -0.20 -5.01 121.20 122.16 1nnl s ILE 125 Ca 0.00 0.60 -0.18 0.00 0.00 0.00 0.00 60.65 61.08 1nnl s ILE 125 Cb -0.00 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1nnl s ILE 125 CO 0.01 0.11 1.28 -2.16 0.00 0.00 0.00 174.94 174.18 1nnl s PRO 126 N 2.14 2.57 0.59 2.79 0.04 -1.26 -4.21 135.00 137.65 1nnl s PRO 126 Ca 0.16 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.51 1nnl s PRO 126 Cb -0.16 -1.85 1.76 0.00 0.04 0.00 0.00 34.50 34.29 1nnl s PRO 126 CO 0.10 -1.57 2.22 0.00 0.04 0.00 0.00 177.00 177.79 1nnl h ALA 127 N 0.52 1.61 0.00 8.56 0.00 -1.95 0.84 119.26 128.84 1nnl h ALA 127 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nnl h ALA 127 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nnl h ALA 127 CO 0.53 -0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.51 1nnl h THR 128 N 0.00 0.00 -0.68 0.00 1.35 -2.01 -2.25 112.91 109.32 1nnl h THR 128 Ca 0.02 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1nnl h THR 128 Cb 0.10 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1nnl h THR 128 CO -0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 1nnl n ASN 129 N -2.96 4.14 -4.50 5.36 4.13 0.29 -4.89 115.26 116.82 1nnl n ASN 129 Ca -0.01 -2.14 -0.34 0.00 1.68 0.00 0.00 54.58 53.77 1nnl n ASN 129 Cb 0.19 -0.50 -0.12 0.00 -1.54 0.00 0.00 39.78 37.81 1nnl n ASN 129 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1nnl s VAL 130 N -1.27 4.00 -0.20 2.41 1.01 -0.85 -1.52 120.40 123.99 1nnl s VAL 130 Ca 0.48 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1nnl s VAL 130 Cb 0.27 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1nnl s VAL 130 CO 0.29 0.47 -0.09 -0.36 0.00 0.00 0.00 175.10 175.42 1nnl s PHE 131 N 0.51 2.28 0.37 5.22 0.40 -0.04 -4.98 117.98 121.73 1nnl s PHE 131 Ca -0.02 -1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 54.67 1nnl s PHE 131 Cb -0.14 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.86 1nnl s PHE 131 CO 0.02 -0.72 0.70 0.00 0.70 0.00 0.00 175.22 175.92 1nnl s ALA 132 N 1.44 -0.31 0.60 5.36 0.00 -1.26 -1.16 121.76 126.43 1nnl s ALA 132 Ca -0.01 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1nnl s ALA 132 Cb -0.16 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1nnl s ALA 132 CO -0.08 -0.93 1.02 -0.80 0.00 0.00 0.00 175.76 174.97 1nnl s ASN 133 N -3.11 6.30 -0.16 0.00 0.01 0.11 -4.67 114.94 113.42 1nnl s ASN 133 Ca 0.20 1.44 0.01 0.00 -0.71 0.00 0.00 52.86 53.79 1nnl s ASN 133 Cb -0.04 -2.47 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1nnl s ASN 133 CO 0.14 -0.81 -0.16 -0.13 -1.51 0.00 0.00 177.10 174.62 1nnl s ARG 134 N -4.96 2.57 0.47 -0.60 0.52 -1.26 -0.21 118.95 115.47 1nnl s ARG 134 Ca 0.56 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.89 1nnl s ARG 134 Cb -0.11 -2.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 1nnl s ARG 134 CO 0.50 -0.23 1.01 -0.51 0.02 0.00 0.00 175.30 176.09 1nnl s LEU 135 N 1.41 3.87 0.09 2.53 1.43 -1.26 -0.87 118.68 125.87 1nnl s LEU 135 Ca 0.05 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.07 1nnl s LEU 135 Cb -0.13 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 1nnl s LEU 135 CO -0.12 -0.65 -0.14 -0.54 0.23 0.00 0.00 176.35 175.14 1nnl s LYS 136 N -3.24 2.03 0.02 1.70 1.02 0.75 -4.86 119.74 117.16 1nnl s LYS 136 Ca 0.65 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1nnl s LYS 136 Cb -0.14 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1nnl s LYS 136 CO 0.18 0.51 -0.03 -0.06 -0.92 0.00 0.00 175.35 175.03 1nnl s PHE 137 N -1.13 0.28 0.88 3.18 0.08 -1.26 -0.38 117.98 119.62 1nnl s PHE 137 Ca 0.19 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.69 1nnl s PHE 137 Cb -0.11 -0.19 0.13 0.00 -0.57 0.00 0.00 43.02 42.29 1nnl s PHE 137 CO 0.11 -0.14 1.23 0.71 -0.10 0.00 0.00 175.22 177.04 1nnl s TYR 138 N -1.14 2.35 0.28 0.36 2.02 0.31 -4.81 117.35 116.71 1nnl s TYR 138 Ca -0.12 0.58 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 1nnl s TYR 138 Cb -0.08 -3.74 0.63 0.00 -0.40 0.00 0.00 41.96 38.37 1nnl s TYR 138 CO -0.01 -2.19 1.75 0.35 -1.57 0.00 0.00 175.55 173.88 1nnl h PHE 139 N -1.34 0.82 0.00 2.71 3.57 -2.02 0.16 116.94 120.84 1nnl h PHE 139 Ca -0.46 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1nnl h PHE 139 Cb 1.29 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1nnl h PHE 139 CO -0.32 0.15 0.00 0.27 -2.23 0.00 0.00 178.31 176.18 1nnl n ASN 140 N -4.88 0.00 0.00 0.41 0.23 -1.26 -4.89 115.26 104.87 1nnl n ASN 140 Ca 0.20 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 1nnl n ASN 140 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1nnl n ASN 140 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nnl n GLY 141 N 0.86 1.35 3.75 4.83 0.00 0.56 -4.94 105.19 111.59 1nnl n GLY 141 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1nnl n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnl s GLU 142 N -0.82 3.13 0.14 1.61 2.02 -1.26 -0.80 118.70 122.72 1nnl s GLU 142 Ca 0.00 2.23 -0.34 0.00 0.02 0.00 0.00 54.97 56.88 1nnl s GLU 142 Cb 0.00 -2.25 -0.14 0.00 0.10 0.00 0.00 34.13 31.84 1nnl s GLU 142 CO 0.00 -1.20 1.56 0.98 0.02 0.00 0.00 175.26 176.63 1nnl n TYR 143 N -1.04 2.19 -0.23 1.61 9.36 -1.23 -0.53 117.16 127.29 1nnl n TYR 143 Ca 0.10 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1nnl n TYR 143 Cb 0.45 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1nnl n TYR 143 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nnl n ALA 144 N 3.44 1.81 0.00 2.98 0.00 0.48 -4.74 120.51 124.49 1nnl n ALA 144 Ca 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1nnl n ALA 144 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1nnl n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnl n GLY 145 N -0.42 -0.02 3.31 0.00 0.00 -1.23 -4.80 105.19 102.03 1nnl n GLY 145 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1nnl n GLY 145 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nnl s PHE 146 N 0.00 -0.14 -0.67 1.61 -0.71 -1.26 -0.18 117.98 116.63 1nnl s PHE 146 Ca 0.00 -0.19 -0.26 0.00 -1.04 0.00 0.00 56.93 55.43 1nnl s PHE 146 Cb 0.00 0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 1nnl s PHE 146 CO 0.00 -0.69 1.81 0.34 -1.34 0.00 0.00 175.22 175.34 1nnl s ASP 147 N -2.82 5.35 0.00 1.98 2.15 -0.05 -4.83 116.67 118.46 1nnl s ASP 147 Ca 0.04 0.11 0.23 0.00 0.43 0.00 0.00 52.55 53.36 1nnl s ASP 147 Cb 0.02 -2.54 1.38 0.00 -0.30 0.00 0.00 42.92 41.49 1nnl s ASP 147 CO -0.11 -2.36 1.77 -0.62 -0.17 0.00 0.00 175.17 173.67 1nnl n GLU 148 N 9.16 0.71 0.00 4.34 1.02 -1.26 -2.78 120.64 131.83 1nnl n GLU 148 Ca 0.21 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1nnl n GLU 148 Cb 0.51 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.63 1nnl n GLU 148 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1nnl n THR 149 N -1.02 0.00 -2.32 2.62 -2.24 -1.26 -4.88 114.28 105.19 1nnl n THR 149 Ca 0.17 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1nnl n THR 149 Cb 0.09 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1nnl n THR 149 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nnl s GLN 150 N -2.73 4.51 0.35 -0.78 -1.52 -1.12 -4.92 119.66 113.47 1nnl s GLN 150 Ca 0.17 1.98 0.05 0.00 -1.95 0.00 0.00 55.36 55.61 1nnl s GLN 150 Cb 0.18 -3.15 0.72 0.00 -0.22 0.00 0.00 33.01 30.54 1nnl s GLN 150 CO 0.64 0.03 1.95 -1.35 -0.25 0.00 0.00 175.29 176.30 1nnl h PRO 151 N 3.77 0.76 0.00 2.91 0.11 -1.91 -0.45 132.00 137.20 1nnl h PRO 151 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1nnl h PRO 151 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nnl h PRO 151 CO 0.67 0.51 0.00 0.25 -0.21 0.00 0.00 178.00 179.22 1nnl n THR 152 N -4.48 0.22 1.05 -1.15 -2.24 -1.26 -2.54 114.28 103.88 1nnl n THR 152 Ca 0.11 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1nnl n THR 152 Cb 0.23 -0.76 0.33 0.00 -2.10 0.00 0.00 70.33 68.03 1nnl n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nnl n ALA 153 N -1.14 3.31 -2.49 6.98 0.00 -0.18 -4.69 120.51 122.31 1nnl n ALA 153 Ca 0.12 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1nnl n ALA 153 Cb 0.10 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 1nnl n ALA 153 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nnl s GLU 154 N -2.91 1.69 0.43 0.00 2.02 -1.05 -3.37 118.70 115.51 1nnl s GLU 154 Ca 0.14 -1.88 -0.25 0.00 0.02 0.00 0.00 54.97 53.00 1nnl s GLU 154 Cb 0.18 -1.35 -0.08 0.00 0.10 0.00 0.00 34.13 32.98 1nnl s GLU 154 CO 0.64 0.04 1.36 -1.54 0.02 0.00 0.00 175.26 175.78 1nnl s SER 155 N -3.53 6.07 -0.29 -0.19 1.04 -1.26 -2.28 113.70 113.26 1nnl s SER 155 Ca 0.32 2.77 0.00 0.00 0.48 0.00 0.00 55.95 59.51 1nnl s SER 155 Cb 0.05 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1nnl s SER 155 CO 0.14 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1nnl n GLY 156 N 0.62 0.60 0.36 7.32 0.00 -1.26 -4.94 105.19 107.89 1nnl n GLY 156 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.49 1nnl n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nnl h GLY 157 N 0.00 1.14 0.97 -0.02 0.00 -1.57 -2.07 103.07 101.52 1nnl h GLY 157 Ca -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1nnl h GLY 157 CO 0.08 0.32 0.23 0.50 0.00 0.00 0.00 176.54 177.67 1nnl h LYS 158 N 0.97 0.73 -0.63 4.80 1.57 -1.87 -0.68 116.57 121.45 1nnl h LYS 158 Ca 0.33 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1nnl h LYS 158 Cb 0.09 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1nnl h LYS 158 CO -0.10 0.62 0.13 0.78 -0.57 0.00 0.00 179.45 180.30 1nnl h GLY 159 N 0.67 1.09 1.09 3.86 0.00 -1.76 -1.89 103.07 106.12 1nnl h GLY 159 Ca 0.17 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1nnl h GLY 159 CO -0.02 0.64 0.29 0.50 0.00 0.00 0.00 176.54 177.95 1nnl h LYS 160 N 0.96 1.15 -0.46 4.80 1.57 -0.98 -0.14 116.57 123.48 1nnl h LYS 160 Ca 0.20 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1nnl h LYS 160 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1nnl h LYS 160 CO 0.01 0.94 0.17 0.28 -0.57 0.00 0.00 179.45 180.28 1nnl h VAL 161 N 1.12 1.21 -0.49 0.50 2.07 -0.80 -1.49 116.25 118.37 1nnl h VAL 161 Ca 0.25 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1nnl h VAL 161 Cb 0.23 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1nnl h VAL 161 CO -0.02 0.24 0.03 0.40 0.02 0.00 0.00 177.57 178.25 1nnl h ILE 162 N 0.60 1.24 -0.47 4.57 2.04 -0.97 -0.66 117.51 123.85 1nnl h ILE 162 Ca 0.15 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1nnl h ILE 162 Cb 0.21 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1nnl h ILE 162 CO -0.01 0.34 0.26 0.50 0.00 0.00 0.00 178.15 179.24 1nnl h LYS 163 N 0.74 0.66 -0.80 2.37 3.64 -0.70 -0.36 116.57 122.13 1nnl h LYS 163 Ca 0.15 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1nnl h LYS 163 Cb 0.41 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1nnl h LYS 163 CO 0.01 0.52 0.41 -0.07 -2.27 0.00 0.00 179.45 178.06 1nnl h LEU 164 N 0.63 1.03 -0.74 5.20 3.38 -0.76 -1.17 115.31 122.87 1nnl h LEU 164 Ca 0.17 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1nnl h LEU 164 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1nnl h LEU 164 CO -0.03 0.86 0.19 -0.07 0.09 0.00 0.00 178.44 179.48 1nnl h LEU 165 N 1.13 1.08 -0.74 1.67 3.38 -0.69 -0.87 115.31 120.26 1nnl h LEU 165 Ca 0.28 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1nnl h LEU 165 Cb 0.08 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1nnl h LEU 165 CO -0.04 1.03 0.07 0.11 0.09 0.00 0.00 178.44 179.70 1nnl h LYS 166 N 1.09 1.03 0.00 1.13 1.57 -0.69 -0.03 116.57 120.67 1nnl h LYS 166 Ca 0.23 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1nnl h LYS 166 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1nnl h LYS 166 CO -0.00 0.96 -0.43 0.93 -0.57 0.00 0.00 179.45 180.35 1nnl h GLU 167 N 0.96 0.00 0.10 3.15 5.08 -0.87 0.15 114.58 123.16 1nnl h GLU 167 Ca 0.19 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.25 1nnl h GLU 167 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1nnl h GLU 167 CO 0.02 0.43 -1.59 -0.22 -1.00 0.00 0.00 179.01 176.64 1nnl h LYS 168 N 0.00 0.22 -0.00 2.33 3.64 -0.91 -3.41 116.57 118.43 1nnl h LYS 168 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1nnl h LYS 168 Cb 0.98 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1nnl h LYS 168 CO 0.06 1.18 -0.50 1.19 -2.27 0.00 0.00 179.45 179.10 1nnl n PHE 169 N -3.85 0.00 -3.79 1.91 3.72 -0.05 -5.02 117.46 110.38 1nnl n PHE 169 Ca -0.28 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.84 1nnl n PHE 169 Cb 0.92 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.50 1nnl n PHE 169 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1nnl n HIS 170 N -1.19 -2.46 -1.74 1.38 8.25 0.04 -4.91 115.22 114.59 1nnl n HIS 170 Ca 0.02 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 1nnl n HIS 170 Cb 0.18 -4.38 -0.01 0.00 1.12 0.00 0.00 29.99 26.90 1nnl n HIS 170 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1nnl n PHE 171 N -4.75 2.72 0.10 4.41 3.72 -1.26 -4.91 117.46 117.49 1nnl n PHE 171 Ca -0.00 0.45 0.04 0.00 -0.05 0.00 0.00 57.45 57.89 1nnl n PHE 171 Cb 0.55 -2.50 -0.00 0.00 -0.94 0.00 0.00 39.48 36.58 1nnl n PHE 171 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1nnl h LYS 172 N 3.15 0.00 -1.85 -1.08 2.10 -1.96 -3.43 116.57 113.51 1nnl h LYS 172 Ca -0.48 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.83 1nnl h LYS 172 Cb 1.25 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.29 1nnl h LYS 172 CO 0.66 0.30 -0.66 0.21 -2.00 0.00 0.00 179.45 177.96 1nnl s LYS 173 N -3.03 0.65 -0.24 0.07 2.47 -1.26 -5.01 119.74 113.39 1nnl s LYS 173 Ca 0.01 -0.77 -0.09 0.00 -1.56 0.00 0.00 55.97 53.57 1nnl s LYS 173 Cb 0.08 -0.63 -0.04 0.00 -1.46 0.00 0.00 37.83 35.78 1nnl s LYS 173 CO 0.77 -1.19 0.11 -1.50 0.16 0.00 0.00 175.35 173.70 1nnl s ILE 174 N 1.51 4.79 -0.06 5.43 2.07 -1.26 -1.38 121.20 132.30 1nnl s ILE 174 Ca 0.17 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 1nnl s ILE 174 Cb -0.14 -3.23 -0.03 0.00 0.13 0.00 0.00 42.46 39.19 1nnl s ILE 174 CO -0.05 0.35 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.65 1nnl s ILE 175 N 1.30 3.84 -0.14 2.00 1.01 -0.52 -0.19 121.20 128.50 1nnl s ILE 175 Ca 0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1nnl s ILE 175 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1nnl s ILE 175 CO 0.05 0.57 0.03 -0.32 0.00 0.00 0.00 174.94 175.27 1nnl s MET 176 N -0.92 3.56 -0.12 2.79 -2.45 -0.55 -0.45 119.30 121.17 1nnl s MET 176 Ca 0.13 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.21 1nnl s MET 176 Cb -0.11 -3.03 0.02 0.00 1.25 0.00 0.00 34.83 32.96 1nnl s MET 176 CO 0.03 0.45 -0.12 0.42 1.05 0.00 0.00 175.02 176.84 1nnl s ILE 177 N -0.16 1.38 0.21 10.11 1.01 0.13 -1.04 121.20 132.84 1nnl s ILE 177 Ca 0.06 -0.53 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 1nnl s ILE 177 Cb -0.12 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.10 1nnl s ILE 177 CO 0.02 0.42 0.90 -0.83 0.00 0.00 0.00 174.94 175.45 1nnl s GLY 178 N 1.38 -0.09 0.02 6.18 0.00 -1.04 -1.25 107.32 112.52 1nnl s GLY 178 Ca 0.01 -0.13 0.21 0.00 0.00 0.00 0.00 44.72 44.81 1nnl s GLY 178 CO -0.07 0.28 0.61 2.09 0.00 0.00 0.00 173.10 176.01 1nnl n ASP 179 N -0.67 0.30 -4.24 1.64 3.85 -1.26 -0.61 116.55 115.56 1nnl n ASP 179 Ca -0.05 0.12 -0.23 0.00 -0.71 0.00 0.00 54.79 53.91 1nnl n ASP 179 Cb 0.60 1.31 -0.02 0.00 -1.35 0.00 0.00 41.12 41.65 1nnl n ASP 179 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nnl n GLY 180 N 1.31 3.18 0.37 6.12 0.00 -1.26 -4.47 105.19 110.44 1nnl n GLY 180 Ca -0.07 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1nnl n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnl h ALA 181 N 0.91 1.35 0.00 4.61 0.00 -1.97 -1.38 119.26 122.78 1nnl h ALA 181 Ca -0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1nnl h ALA 181 Cb 1.03 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nnl h ALA 181 CO 0.49 0.56 -0.10 1.79 0.00 0.00 0.00 179.25 182.00 1nnl h THR 182 N 1.27 0.97 0.03 0.00 1.35 -1.97 0.48 112.91 115.03 1nnl h THR 182 Ca 0.39 -0.35 -0.17 0.00 -0.55 0.00 0.00 66.41 65.73 1nnl h THR 182 Cb -0.02 1.19 0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1nnl h THR 182 CO -0.12 0.10 -0.68 0.44 -0.25 0.00 0.00 175.52 175.02 1nnl h ASP 183 N 0.00 0.55 -0.34 5.36 3.32 -1.66 -3.05 116.42 120.60 1nnl h ASP 183 Ca -0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 57.03 56.22 1nnl h ASP 183 Cb 0.19 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1nnl h ASP 183 CO 0.01 1.28 0.11 -0.03 -1.72 0.00 0.00 179.24 178.89 1nnl h MET 184 N -0.11 0.61 0.00 3.56 4.05 -0.91 -1.28 114.93 120.85 1nnl h MET 184 Ca -0.09 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1nnl h MET 184 Cb 1.40 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1nnl h MET 184 CO 0.13 0.56 0.00 0.39 0.23 0.00 0.00 176.91 178.22 1nnl n GLU 185 N -4.33 0.34 -0.00 0.39 1.02 0.12 -2.48 120.64 115.69 1nnl n GLU 185 Ca 0.03 0.07 0.15 0.00 -0.02 0.00 0.00 57.16 57.38 1nnl n GLU 185 Cb 0.19 -1.50 0.75 0.00 -0.02 0.00 0.00 31.44 30.86 1nnl n GLU 185 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnl n ALA 186 N -1.27 2.64 -3.92 0.62 0.00 -0.48 -4.55 120.51 113.55 1nnl n ALA 186 Ca 0.11 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1nnl n ALA 186 Cb 0.17 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 1nnl n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nnl s PRO 188 N 1.30 0.96 0.00 0.00 0.04 -1.26 -4.89 135.00 131.15 1nnl s PRO 188 Ca 0.02 0.56 0.20 0.00 0.04 0.00 0.00 61.00 61.82 1nnl s PRO 188 Cb -0.19 -1.80 0.85 0.00 0.04 0.00 0.00 34.50 33.41 1nnl s PRO 188 CO -0.11 -2.38 1.63 -0.35 0.04 0.00 0.00 177.00 175.84 1nnl n PRO 189 N -3.94 0.01 -1.27 0.56 -0.04 -0.90 -4.94 135.00 124.48 1nnl n PRO 189 Ca 0.06 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.34 1nnl n PRO 189 Cb 0.57 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.64 1nnl n PRO 189 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nnl s ALA 190 N -2.99 1.99 -0.43 0.55 0.00 0.15 -4.91 121.76 116.11 1nnl s ALA 190 Ca 0.10 0.80 0.23 0.00 0.00 0.00 0.00 51.96 53.09 1nnl s ALA 190 Cb 0.13 -3.46 0.29 0.00 0.00 0.00 0.00 23.12 20.08 1nnl s ALA 190 CO 0.36 -2.06 1.42 -0.44 0.00 0.00 0.00 175.76 175.04 1nnl h ASP 191 N -0.66 0.00 -4.94 0.00 3.32 -0.90 -3.42 116.42 109.81 1nnl h ASP 191 Ca -0.46 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1nnl h ASP 191 Cb 1.29 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.71 1nnl h ASP 191 CO 0.48 0.01 0.25 0.00 -1.72 0.00 0.00 179.24 178.26 1nnl s ALA 192 N -3.24 -1.64 -0.02 3.45 0.00 -1.22 -5.00 121.76 114.08 1nnl s ALA 192 Ca 0.05 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1nnl s ALA 192 Cb 0.08 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1nnl s ALA 192 CO 0.70 -0.73 -0.07 0.12 0.00 0.00 0.00 175.76 175.79 1nnl s PHE 193 N -3.46 0.80 -0.20 0.00 5.36 -1.26 -1.48 117.98 117.73 1nnl s PHE 193 Ca 0.01 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1nnl s PHE 193 Cb -0.01 -0.58 0.04 0.00 -0.34 0.00 0.00 43.02 42.13 1nnl s PHE 193 CO -0.11 -0.09 -0.12 0.42 -1.46 0.00 0.00 175.22 173.87 1nnl s ILE 194 N 0.24 1.73 0.43 3.12 1.01 -0.20 -4.10 121.20 123.42 1nnl s ILE 194 Ca -0.03 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 1nnl s ILE 194 Cb -0.08 -1.77 -0.09 0.00 0.01 0.00 0.00 42.46 40.53 1nnl s ILE 194 CO 0.00 0.21 1.02 -0.83 0.00 0.00 0.00 174.94 175.34 1nnl s GLY 195 N 1.36 2.61 -0.12 6.18 0.00 -0.18 -2.50 107.32 114.67 1nnl s GLY 195 Ca -0.01 0.61 -0.00 0.00 0.00 0.00 0.00 44.72 45.32 1nnl s GLY 195 CO -0.09 0.98 -0.10 -0.12 0.00 0.00 0.00 173.10 173.77 1nnl s PHE 196 N -1.84 1.74 -0.14 1.90 5.36 0.22 -0.97 117.98 124.23 1nnl s PHE 196 Ca 0.61 -0.91 0.18 0.00 -0.96 0.00 0.00 56.93 55.85 1nnl s PHE 196 Cb -0.18 -1.36 0.31 0.00 -0.34 0.00 0.00 43.02 41.46 1nnl s PHE 196 CO 0.22 -0.56 1.17 0.41 -1.46 0.00 0.00 175.22 175.00 1nnl n GLY 197 N 4.83 4.92 0.31 13.12 0.00 0.20 -4.03 105.19 124.54 1nnl n GLY 197 Ca -0.14 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1nnl n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nnl h GLY 198 N 0.18 0.53 0.00 -0.02 0.00 -1.72 -3.27 103.07 98.78 1nnl h GLY 198 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 47.33 46.88 1nnl h GLY 198 CO 0.00 0.19 -1.62 0.70 0.00 0.00 0.00 176.54 175.82 1nnl n ASN 199 N -4.48 1.90 -3.79 0.19 3.02 -1.26 -4.98 115.26 105.87 1nnl n ASN 199 Ca 0.03 0.41 -0.13 0.00 -0.03 0.00 0.00 54.58 54.86 1nnl n ASN 199 Cb 0.08 -0.87 -0.14 0.00 -0.61 0.00 0.00 39.78 38.25 1nnl n ASN 199 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nnl s VAL 200 N -2.48 -0.02 -0.27 2.41 1.01 -1.23 -5.13 120.40 114.69 1nnl s VAL 200 Ca -0.31 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 1nnl s VAL 200 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1nnl s VAL 200 CO 0.48 0.04 0.63 -0.63 0.00 0.00 0.00 175.10 175.61 1nnl s ILE 201 N 0.61 4.97 -0.50 2.22 1.01 -1.25 -4.45 121.20 123.81 1nnl s ILE 201 Ca -0.04 1.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.50 1nnl s ILE 201 Cb -0.06 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.54 1nnl s ILE 201 CO -0.03 -0.01 0.51 -0.13 0.00 0.00 0.00 174.94 175.28 1nnl s ARG 202 N 2.53 3.04 0.34 2.79 0.52 -1.26 -4.95 118.95 121.95 1nnl s ARG 202 Ca 0.26 -1.22 0.09 0.00 -0.52 0.00 0.00 55.73 54.34 1nnl s ARG 202 Cb -0.15 -4.15 0.82 0.00 0.52 0.00 0.00 34.95 31.99 1nnl s ARG 202 CO 0.09 -1.16 1.82 0.37 0.02 0.00 0.00 175.30 176.44 1nnl h GLN 203 N 8.89 0.67 -0.51 3.54 5.75 -1.94 -0.99 115.11 130.51 1nnl h GLN 203 Ca -0.28 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.17 1nnl h GLN 203 Cb 1.10 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 1nnl h GLN 203 CO 0.94 0.44 0.27 -0.56 -2.65 0.00 0.00 178.83 177.28 1nnl h GLN 204 N 0.69 0.69 -0.04 1.69 3.07 -1.97 0.63 115.11 119.87 1nnl h GLN 204 Ca 0.52 -0.07 -0.08 0.00 0.09 0.00 0.00 58.65 59.11 1nnl h GLN 204 Cb 0.90 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1nnl h GLN 204 CO -0.28 0.52 -0.28 0.28 0.09 0.00 0.00 178.83 179.16 1nnl h VAL 205 N 0.70 1.47 -1.00 1.86 2.07 -1.53 -2.86 116.25 116.96 1nnl h VAL 205 Ca 0.18 -1.78 0.06 0.00 0.82 0.00 0.00 66.70 65.98 1nnl h VAL 205 Cb 0.03 2.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 1nnl h VAL 205 CO -0.03 0.50 0.65 0.50 0.02 0.00 0.00 177.57 179.21 1nnl h LYS 206 N -0.31 1.16 0.00 1.57 3.64 -0.94 0.20 116.57 121.90 1nnl h LYS 206 Ca -0.02 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 1nnl h LYS 206 Cb 0.96 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1nnl h LYS 206 CO 0.06 0.77 -0.42 -0.44 -2.27 0.00 0.00 179.45 177.15 1nnl h ASP 207 N 1.20 0.00 0.00 4.20 3.32 -0.93 -3.35 116.42 120.86 1nnl h ASP 207 Ca 0.42 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 1nnl h ASP 207 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1nnl h ASP 207 CO -0.16 0.42 -1.68 0.59 -1.72 0.00 0.00 179.24 176.69 1nnl n ASN 208 N -3.46 1.83 -4.77 6.45 3.02 -0.93 -5.00 115.26 112.40 1nnl n ASN 208 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1nnl n ASN 208 Cb 0.57 1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 41.20 1nnl n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nnl s ALA 209 N -2.84 3.08 0.15 5.41 0.00 0.67 -4.93 121.76 123.30 1nnl s ALA 209 Ca -0.05 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1nnl s ALA 209 Cb 0.08 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1nnl s ALA 209 CO 0.57 -0.62 1.34 0.87 0.00 0.00 0.00 175.76 177.93 1nnl h LYS 210 N 2.38 0.19 -5.29 0.00 1.57 -1.89 -3.44 116.57 110.09 1nnl h LYS 210 Ca -0.49 -0.22 -0.58 0.00 -1.87 0.00 0.00 60.65 57.48 1nnl h LYS 210 Cb 1.24 0.07 -0.32 0.00 0.08 0.00 0.00 32.23 33.30 1nnl h LYS 210 CO 0.61 0.98 -0.84 -1.58 -0.57 0.00 0.00 179.45 178.05 1nnl s TRP 211 N -3.11 1.86 -0.18 -1.35 0.52 -1.26 -5.10 118.94 110.32 1nnl s TRP 211 Ca -0.03 -0.58 -0.12 0.00 0.02 0.00 0.00 56.10 55.39 1nnl s TRP 211 Cb 0.10 -1.25 0.06 0.00 -1.15 0.00 0.00 33.47 31.22 1nnl s TRP 211 CO 0.83 -0.21 0.46 -0.47 0.02 0.00 0.00 176.95 177.58 1nnl s TYR 212 N 0.13 -0.62 0.14 -1.98 5.04 -1.26 -1.01 117.35 117.78 1nnl s TYR 212 Ca -0.07 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 55.96 1nnl s TYR 212 Cb -0.13 0.28 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 1nnl s TYR 212 CO 0.03 -0.33 -0.08 0.96 -1.34 0.00 0.00 175.55 174.79 1nnl s ILE 213 N 1.07 1.00 0.00 3.14 -4.36 -0.15 -4.93 121.20 116.97 1nnl s ILE 213 Ca -0.07 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1nnl s ILE 213 Cb -0.06 -1.84 0.00 0.00 1.25 0.00 0.00 42.46 41.80 1nnl s ILE 213 CO -0.09 -0.74 0.52 0.35 0.24 0.00 0.00 174.94 175.21 1nnl n THR 214 N -0.17 0.16 -3.69 8.37 -2.24 -1.26 -0.63 114.28 114.82 1nnl n THR 214 Ca -0.10 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.06 1nnl n THR 214 Cb 0.61 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 1nnl n THR 214 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nnl s ASP 215 N -0.16 -0.27 0.64 3.42 -1.08 -1.26 -3.32 116.67 114.64 1nnl s ASP 215 Ca 0.00 0.80 0.41 0.00 -0.52 0.00 0.00 52.55 53.24 1nnl s ASP 215 Cb 0.00 0.83 2.20 0.00 -1.46 0.00 0.00 42.92 44.49 1nnl s ASP 215 CO 0.00 -0.20 2.30 -0.26 0.52 0.00 0.00 175.17 177.53 1nnl h PHE 216 N 7.57 0.00 -0.53 -5.34 0.04 -1.92 -1.99 116.94 114.77 1nnl h PHE 216 Ca -0.29 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.51 1nnl h PHE 216 Cb 1.15 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 1nnl h PHE 216 CO 0.29 0.01 0.35 -0.24 -0.60 0.00 0.00 178.31 178.12 1nnl h VAL 217 N 0.00 1.05 -0.26 -0.55 3.04 -1.88 -1.24 116.25 116.42 1nnl h VAL 217 Ca -0.00 -0.20 0.08 0.00 -1.01 0.00 0.00 66.70 65.56 1nnl h VAL 217 Cb 0.07 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1nnl h VAL 217 CO 0.00 0.11 0.26 -0.08 -1.01 0.00 0.00 177.57 176.85 1nnl h GLU 218 N 0.59 0.00 0.00 4.17 4.81 -1.79 0.60 114.58 122.96 1nnl h GLU 218 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1nnl h GLU 218 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1nnl h GLU 218 CO -0.06 0.00 -0.69 -0.07 -0.73 0.00 0.00 179.01 177.46 1nnl h LEU 219 N 0.00 0.00 -5.49 1.64 3.38 -1.42 -3.39 115.31 110.03 1nnl h LEU 219 Ca 0.12 -0.09 -0.65 0.00 0.09 0.00 0.00 57.88 57.35 1nnl h LEU 219 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1nnl h LEU 219 CO -0.00 0.04 3.39 0.18 0.09 0.00 0.00 178.44 182.14 1nnl n LEU 220 N -2.48 7.42 -0.41 1.67 4.77 0.21 -4.98 117.00 123.20 1nnl n LEU 220 Ca 0.02 -4.05 0.14 0.00 -0.03 0.00 0.00 56.01 52.10 1nnl n LEU 220 Cb 0.50 -1.52 0.59 0.00 -2.33 0.00 0.00 43.42 40.66 1nnl n LEU 220 CO 0.37 1.43 0.91 0.61 -1.33 0.00 0.00 177.39 179.38