#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fma s GLU 3 N 0.00 3.90 -0.09 0.00 0.41 -1.26 -4.90 118.70 116.75 1fma s GLU 3 Ca 0.00 1.43 0.03 0.00 -0.41 0.00 0.00 54.97 56.02 1fma s GLU 3 Cb 0.00 -2.24 0.01 0.00 -1.78 0.00 0.00 34.13 30.12 1fma s GLU 3 CO 0.00 -0.36 -0.17 0.99 -0.49 0.00 0.00 175.26 175.23 1fma s THR 4 N -1.86 1.56 -0.25 3.63 2.01 -1.26 -2.40 115.64 117.08 1fma s THR 4 Ca 0.64 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 1fma s THR 4 Cb -0.19 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1fma s THR 4 CO 0.23 0.45 0.07 -0.75 -0.69 0.00 0.00 174.62 173.93 1fma s LYS 5 N 0.60 3.66 -0.12 4.92 2.20 0.10 -4.99 119.74 126.10 1fma s LYS 5 Ca -0.15 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1fma s LYS 5 Cb -0.16 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1fma s LYS 5 CO 0.05 -0.17 -0.16 0.42 -0.36 0.00 0.00 175.35 175.13 1fma s ILE 6 N 1.56 1.59 -0.07 5.43 -1.09 -1.26 -0.40 121.20 126.97 1fma s ILE 6 Ca 0.06 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1fma s ILE 6 Cb -0.15 -1.45 0.02 0.00 -1.58 0.00 0.00 42.46 39.31 1fma s ILE 6 CO 0.03 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 1fma s VAL 7 N 1.03 0.63 -0.12 2.92 1.01 -0.42 -5.00 120.40 120.45 1fma s VAL 7 Ca -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1fma s VAL 7 Cb -0.15 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1fma s VAL 7 CO -0.03 0.27 -0.09 -0.69 0.00 0.00 0.00 175.10 174.56 1fma s VAL 8 N 1.36 1.17 -0.08 2.92 1.01 -1.26 -1.11 120.40 124.41 1fma s VAL 8 Ca -0.04 -0.38 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1fma s VAL 8 Cb -0.13 -1.16 0.13 0.00 0.00 0.00 0.00 36.38 35.22 1fma s VAL 8 CO -0.03 0.39 1.40 -0.83 0.00 0.00 0.00 175.10 176.04 1fma s GLY 9 N 1.63 -0.39 0.44 4.51 0.00 -1.06 -4.99 107.32 107.45 1fma s GLY 9 Ca 0.05 0.66 0.24 0.00 0.00 0.00 0.00 44.72 45.66 1fma s GLY 9 CO -0.09 2.44 1.65 -0.56 0.00 0.00 0.00 173.10 176.54 1fma h PRO 10 N 2.00 0.00 -7.04 2.90 0.13 -1.89 -2.42 132.00 125.68 1fma h PRO 10 Ca -0.29 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 1fma h PRO 10 Cb 1.19 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.43 1fma h PRO 10 CO 0.30 0.05 0.58 -0.65 -0.23 0.00 0.00 178.00 178.04 1fma s GLN 11 N -3.26 3.28 0.70 0.86 1.11 -1.26 -4.70 119.66 116.39 1fma s GLN 11 Ca 0.06 2.11 -0.14 0.00 0.01 0.00 0.00 55.36 57.40 1fma s GLN 11 Cb 0.06 -2.28 0.02 0.00 -1.01 0.00 0.00 33.01 29.80 1fma s GLN 11 CO 0.66 -1.04 1.12 -2.14 0.01 0.00 0.00 175.29 173.90 1fma s PRO 12 N -2.87 2.55 0.32 2.91 0.02 -1.26 -4.90 135.00 131.78 1fma s PRO 12 Ca 0.70 1.39 0.09 0.00 0.02 0.00 0.00 61.00 63.19 1fma s PRO 12 Cb -0.37 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 1fma s PRO 12 CO 0.44 -1.45 -0.09 -0.59 -0.33 0.00 0.00 177.00 174.99 1fma s PHE 13 N -2.43 2.24 -0.12 6.54 -0.12 -1.26 -5.14 117.98 117.69 1fma s PHE 13 Ca 0.66 -0.56 -0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1fma s PHE 13 Cb -0.21 -1.28 0.03 0.00 -0.63 0.00 0.00 43.02 40.94 1fma s PHE 13 CO 0.46 0.48 -0.02 0.45 -0.05 0.00 0.00 175.22 176.53 1fma s SER 14 N -3.55 2.20 0.23 1.98 0.15 -1.26 -5.02 113.70 108.44 1fma s SER 14 Ca 0.31 -0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.52 1fma s SER 14 Cb 0.03 -0.67 0.35 0.00 -1.71 0.00 0.00 66.02 64.02 1fma s SER 14 CO 0.15 -0.19 1.77 0.58 1.20 0.00 0.00 173.24 176.75 1fma h VAL 15 N 6.33 0.83 0.00 4.45 2.07 -2.00 -0.35 116.25 127.57 1fma h VAL 15 Ca -0.23 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1fma h VAL 15 Cb 1.12 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1fma h VAL 15 CO 0.34 0.11 -0.03 1.23 0.02 0.00 0.00 177.57 179.24 1fma h GLY 16 N 0.59 0.00 1.61 2.17 0.00 -2.00 0.21 103.07 105.66 1fma h GLY 16 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.44 1fma h GLY 16 CO -0.28 0.00 -1.27 0.83 0.00 0.00 0.00 176.54 175.82 1fma h GLU 17 N 0.00 0.04 0.00 4.80 5.08 -1.55 -3.37 114.58 119.57 1fma h GLU 17 Ca -0.00 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1fma h GLU 17 Cb 0.08 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1fma h GLU 17 CO 0.00 0.87 -1.47 0.93 -1.00 0.00 0.00 179.01 178.35 1fma h GLU 18 N 0.01 0.00 0.19 2.33 4.39 0.18 -3.41 114.58 118.27 1fma h GLU 18 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1fma h GLU 18 Cb 1.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1fma h GLU 18 CO 0.12 0.46 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.42 1fma h TYR 19 N 0.00 -0.24 -0.70 4.33 3.20 -0.81 -2.60 116.97 120.16 1fma h TYR 19 Ca -0.20 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.80 1fma h TYR 19 Cb 1.79 0.08 -0.13 0.00 1.54 0.00 0.00 36.73 40.01 1fma h TYR 19 CO 0.00 -0.12 -0.22 -1.35 -1.64 0.00 0.00 178.16 174.82 1fma h PRO 20 N -0.29 -0.04 -0.01 1.82 0.11 -1.78 0.54 132.00 132.35 1fma h PRO 20 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1fma h PRO 20 Cb 0.22 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1fma h PRO 20 CO 0.04 -0.03 0.00 2.35 -0.21 0.00 0.00 178.00 180.16 1fma h TRP 21 N -0.04 0.01 -0.99 0.65 7.01 -1.82 -2.20 115.95 118.56 1fma h TRP 21 Ca 0.32 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.37 1fma h TRP 21 Cb 0.54 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.53 1fma h TRP 21 CO -0.60 0.10 0.65 1.25 -2.79 0.00 0.00 178.44 177.05 1fma h LEU 22 N -0.09 1.06 -1.42 0.65 5.85 -0.77 -2.87 115.31 117.72 1fma h LEU 22 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fma h LEU 22 Cb 0.10 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1fma h LEU 22 CO -0.00 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.81 1fma n ALA 23 N -2.37 2.45 -0.06 1.25 0.00 0.04 -4.62 120.51 117.21 1fma n ALA 23 Ca 0.14 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.76 1fma n ALA 23 Cb 0.13 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 1fma n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1fma h GLU 24 N 2.38 0.62 -6.57 0.00 4.81 -1.16 -3.44 114.58 111.22 1fma h GLU 24 Ca 0.00 -0.40 -0.53 0.00 -0.13 0.00 0.00 59.36 58.30 1fma h GLU 24 Cb 0.54 0.05 0.04 0.00 0.63 0.00 0.00 28.75 30.01 1fma h GLU 24 CO 0.00 1.02 0.91 1.03 -0.73 0.00 0.00 179.01 181.24 1fma s ARG 25 N -4.05 4.21 0.46 1.92 0.52 -1.26 -4.90 118.95 115.84 1fma s ARG 25 Ca -0.12 2.36 0.20 0.00 -0.52 0.00 0.00 55.73 57.64 1fma s ARG 25 Cb 0.07 -3.26 1.12 0.00 0.52 0.00 0.00 34.95 33.40 1fma s ARG 25 CO 0.83 -0.64 1.98 -0.44 0.02 0.00 0.00 175.30 177.05 1fma h ASP 26 N 7.18 0.00 0.87 0.23 3.32 -2.01 -1.63 116.42 124.38 1fma h ASP 26 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1fma h ASP 26 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1fma h ASP 26 CO 0.92 0.20 0.00 -1.84 -1.72 0.00 0.00 179.24 176.80 1fma n GLU 27 N -3.94 0.07 -2.81 3.56 0.00 -1.26 -3.79 120.64 112.47 1fma n GLU 27 Ca -0.02 0.19 -0.43 0.00 0.00 0.00 0.00 57.16 56.89 1fma n GLU 27 Cb 0.29 -1.61 0.01 0.00 0.00 0.00 0.00 31.44 30.12 1fma n GLU 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1fma n ASP 28 N -1.74 5.69 0.01 -1.84 8.00 -0.61 -4.29 116.55 121.77 1fma n ASP 28 Ca 0.05 -3.20 0.12 0.00 0.71 0.00 0.00 54.79 52.46 1fma n ASP 28 Cb 0.28 -1.40 0.51 0.00 -0.02 0.00 0.00 41.12 40.50 1fma n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fma n GLY 29 N 2.37 -1.36 2.95 0.44 0.00 -0.99 -4.63 105.19 103.98 1fma n GLY 29 Ca 0.32 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1fma n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fma s ALA 30 N -3.02 1.50 -0.15 4.61 0.00 -0.16 -4.96 121.76 119.60 1fma s ALA 30 Ca 0.11 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1fma s ALA 30 Cb 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1fma s ALA 30 CO 0.45 -0.36 -0.17 0.08 0.00 0.00 0.00 175.76 175.76 1fma s VAL 31 N 1.55 1.76 -0.07 0.00 1.01 -1.26 -1.23 120.40 122.16 1fma s VAL 31 Ca 0.03 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1fma s VAL 31 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1fma s VAL 31 CO -0.08 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.62 1fma s VAL 32 N 1.24 2.49 0.16 2.92 1.01 0.07 -4.99 120.40 123.30 1fma s VAL 32 Ca 0.01 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1fma s VAL 32 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1fma s VAL 32 CO -0.08 0.57 -0.20 0.42 0.00 0.00 0.00 175.10 175.80 1fma s THR 33 N -0.24 1.97 -0.05 3.92 -4.23 -1.26 -0.69 115.64 115.06 1fma s THR 33 Ca -0.00 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1fma s THR 33 Cb -0.13 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.84 1fma s THR 33 CO 0.03 -0.22 -0.05 0.12 -0.54 0.00 0.00 174.62 173.96 1fma s PHE 34 N -1.80 0.83 -0.09 3.99 5.36 0.83 -4.98 117.98 122.12 1fma s PHE 34 Ca 0.16 -0.25 0.04 0.00 -0.96 0.00 0.00 56.93 55.93 1fma s PHE 34 Cb -0.07 -0.71 -0.00 0.00 -0.34 0.00 0.00 43.02 41.90 1fma s PHE 34 CO 0.07 -0.20 -0.24 0.99 -1.46 0.00 0.00 175.22 174.39 1fma s THR 35 N 0.87 2.03 -0.08 0.12 2.01 -1.26 -0.23 115.64 119.10 1fma s THR 35 Ca -0.12 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1fma s THR 35 Cb -0.15 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1fma s THR 35 CO 0.01 0.56 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.50 1fma s GLY 36 N 0.27 1.48 0.23 4.40 0.00 -0.15 -4.99 107.32 108.56 1fma s GLY 36 Ca -0.16 -0.96 0.09 0.00 0.00 0.00 0.00 44.72 43.69 1fma s GLY 36 CO 0.08 -0.50 0.00 0.54 0.00 0.00 0.00 173.10 173.22 1fma s LYS 37 N -0.15 2.35 0.28 2.90 1.02 -1.26 -0.55 119.74 124.32 1fma s LYS 37 Ca -0.01 -1.30 -0.29 0.00 0.02 0.00 0.00 55.97 54.39 1fma s LYS 37 Cb -0.14 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.83 1fma s LYS 37 CO 0.03 0.40 1.37 0.08 -0.92 0.00 0.00 175.35 176.31 1fma s VAL 38 N -2.09 2.72 -0.88 3.17 1.01 0.05 -4.83 120.40 119.54 1fma s VAL 38 Ca 0.30 0.66 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 1fma s VAL 38 Cb -0.07 -3.42 0.22 0.00 0.00 0.00 0.00 36.38 33.11 1fma s VAL 38 CO 0.19 0.13 0.86 -0.13 0.00 0.00 0.00 175.10 176.15 1fma s ARG 39 N -1.04 3.69 -0.15 2.72 1.81 -1.26 -1.55 118.95 123.17 1fma s ARG 39 Ca 0.54 -2.50 0.02 0.00 -1.72 0.00 0.00 55.73 52.07 1fma s ARG 39 Cb -0.41 -4.50 0.01 0.00 -0.45 0.00 0.00 34.95 29.61 1fma s ARG 39 CO 0.48 -1.34 -0.21 0.08 -0.68 0.00 0.00 175.30 173.63 1fma s VAL 47 N 0.22 2.04 0.06 3.52 1.01 -1.26 -4.72 120.40 121.27 1fma s VAL 47 Ca 0.21 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1fma s VAL 47 Cb -0.09 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1fma s VAL 47 CO -0.09 0.54 -0.26 0.20 0.00 0.00 0.00 175.10 175.50 1fma s ASN 48 N 0.98 3.12 0.42 3.32 0.02 -1.26 -5.07 114.94 116.47 1fma s ASN 48 Ca -0.03 -0.61 -0.24 0.00 -1.02 0.00 0.00 52.86 50.97 1fma s ASN 48 Cb -0.15 -0.27 -0.08 0.00 0.02 0.00 0.00 41.25 40.77 1fma s ASN 48 CO -0.06 0.24 1.09 0.00 0.02 0.00 0.00 177.10 178.39 1fma s ALA 49 N -0.84 3.05 -0.03 0.60 0.00 -1.26 -4.47 121.76 118.81 1fma s ALA 49 Ca 0.12 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1fma s ALA 49 Cb -0.10 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1fma s ALA 49 CO 0.03 -0.36 0.01 -0.51 0.00 0.00 0.00 175.76 174.93 1fma s LEU 50 N -2.77 3.56 -0.10 0.00 1.43 0.15 -1.12 118.68 119.83 1fma s LEU 50 Ca 0.60 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1fma s LEU 50 Cb -0.24 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1fma s LEU 50 CO 0.30 0.31 -0.21 -0.89 0.23 0.00 0.00 176.35 176.09 1fma s THR 51 N -1.02 1.87 -0.49 5.49 2.01 0.20 -0.38 115.64 123.32 1fma s THR 51 Ca 0.18 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1fma s THR 51 Cb -0.11 -1.63 0.07 0.00 0.01 0.00 0.00 72.50 70.83 1fma s THR 51 CO 0.08 0.52 0.50 -0.76 -0.69 0.00 0.00 174.62 174.27 1fma s LEU 52 N 0.44 5.34 0.45 4.42 2.01 -0.45 -0.09 118.68 130.81 1fma s LEU 52 Ca -0.17 -1.16 -0.21 0.00 0.01 0.00 0.00 54.13 52.61 1fma s LEU 52 Cb -0.17 -2.30 -0.10 0.00 0.01 0.00 0.00 46.19 43.63 1fma s LEU 52 CO 0.07 -0.76 0.98 -0.70 1.01 0.00 0.00 176.35 176.95 1fma s GLU 53 N 2.09 4.07 0.20 1.70 2.12 0.58 -3.16 118.70 126.29 1fma s GLU 53 Ca 0.09 1.20 -0.16 0.00 0.36 0.00 0.00 54.97 56.46 1fma s GLU 53 Cb -0.22 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1fma s GLU 53 CO 0.09 -0.18 0.48 -3.38 -0.54 0.00 0.00 175.26 171.73 1fma s HIS 54 N -2.12 0.01 -0.73 5.30 -3.43 -1.26 -0.45 115.29 112.61 1fma s HIS 54 Ca 0.64 -0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 54.38 1fma s HIS 54 Cb -0.12 0.31 0.18 0.00 -1.43 0.00 0.00 32.58 31.52 1fma s HIS 54 CO 0.16 -0.90 0.70 -0.47 -2.00 0.00 0.00 174.74 172.23 1fma s TYR 55 N -3.90 3.52 0.41 0.38 5.04 -0.63 -4.97 117.35 117.19 1fma s TYR 55 Ca 0.12 -1.67 0.07 0.00 -2.44 0.00 0.00 57.07 53.15 1fma s TYR 55 Cb -0.00 -3.86 0.86 0.00 0.35 0.00 0.00 41.96 39.31 1fma s TYR 55 CO -0.01 -1.05 2.05 -1.35 -1.34 0.00 0.00 175.55 173.85 1fma h PRO 56 N 8.28 0.55 0.00 4.97 0.11 -1.99 -1.35 132.00 142.57 1fma h PRO 56 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1fma h PRO 56 Cb 1.06 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1fma h PRO 56 CO 0.89 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 179.45 1fma n GLY 57 N -1.48 -1.13 0.01 -0.55 0.00 -1.26 -3.69 105.19 97.09 1fma n GLY 57 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1fma n GLY 57 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fma n MET 58 N -1.32 2.55 -0.19 1.61 0.00 -0.60 -4.67 117.12 114.50 1fma n MET 58 Ca 0.10 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.70 57.72 1fma n MET 58 Cb 0.21 -1.07 0.02 0.00 0.00 0.00 0.00 33.22 32.38 1fma n MET 58 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1fma h THR 59 N 0.00 1.22 -0.51 1.12 1.35 -1.39 0.19 112.91 114.90 1fma h THR 59 Ca -0.05 -0.71 -0.10 0.00 -0.55 0.00 0.00 66.41 65.00 1fma h THR 59 Cb 0.86 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1fma h THR 59 CO 0.00 0.27 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.12 1fma h GLU 60 N 0.73 0.93 -0.47 4.72 5.08 -1.87 -1.67 114.58 122.03 1fma h GLU 60 Ca 0.18 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1fma h GLU 60 Cb 0.22 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1fma h GLU 60 CO -0.01 0.97 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.72 1fma h LYS 61 N 0.83 0.85 -0.57 2.33 3.64 -1.69 0.70 116.57 122.66 1fma h LYS 61 Ca 0.14 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1fma h LYS 61 Cb 0.62 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1fma h LYS 61 CO 0.04 0.92 0.20 0.00 -2.27 0.00 0.00 179.45 178.34 1fma h ALA 62 N 0.91 0.74 -0.42 5.00 0.00 -0.44 0.45 119.26 125.50 1fma h ALA 62 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1fma h ALA 62 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1fma h ALA 62 CO 0.03 0.39 0.08 -0.07 0.00 0.00 0.00 179.25 179.68 1fma h LEU 63 N 0.79 0.66 -1.24 0.00 3.38 -1.02 -1.85 115.31 116.03 1fma h LEU 63 Ca 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1fma h LEU 63 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1fma h LEU 63 CO -0.01 0.73 0.17 0.00 0.09 0.00 0.00 178.44 179.42 1fma h ALA 64 N 0.95 1.40 -0.16 1.53 0.00 -0.51 -1.44 119.26 121.02 1fma h ALA 64 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1fma h ALA 64 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1fma h ALA 64 CO 0.01 0.45 -0.38 0.93 0.00 0.00 0.00 179.25 180.25 1fma h GLU 65 N 0.68 0.35 -0.17 0.00 5.08 -0.58 0.20 114.58 120.14 1fma h GLU 65 Ca 0.16 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1fma h GLU 65 Cb 0.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1fma h GLU 65 CO -0.01 0.68 -0.16 0.82 -1.00 0.00 0.00 179.01 179.34 1fma h ILE 66 N 0.30 1.34 -0.39 3.13 2.04 -0.91 -2.11 117.51 120.90 1fma h ILE 66 Ca 0.03 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1fma h ILE 66 Cb 0.81 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1fma h ILE 66 CO 0.06 0.39 0.21 0.58 0.00 0.00 0.00 178.15 179.40 1fma h VAL 67 N 0.07 1.15 -0.99 1.67 2.07 -1.00 0.31 116.25 119.52 1fma h VAL 67 Ca 0.03 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.26 1fma h VAL 67 Cb 0.70 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1fma h VAL 67 CO 0.04 0.16 0.63 0.44 0.02 0.00 0.00 177.57 178.86 1fma h ASP 68 N 0.50 0.96 -0.26 0.57 3.32 -0.50 -0.07 116.42 120.95 1fma h ASP 68 Ca 0.14 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1fma h ASP 68 Cb 0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1fma h ASP 68 CO -0.02 0.55 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.81 1fma h GLU 69 N 1.06 0.56 -0.99 3.56 4.81 -1.05 -2.48 114.58 120.05 1fma h GLU 69 Ca 0.47 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 59.53 1fma h GLU 69 Cb 0.36 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 1fma h GLU 69 CO -0.23 0.83 0.63 0.00 -0.73 0.00 0.00 179.01 179.52 1fma h ALA 70 N 0.71 1.44 0.00 2.92 0.00 -0.13 -1.23 119.26 122.97 1fma h ALA 70 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1fma h ALA 70 Cb 0.69 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1fma h ALA 70 CO 0.04 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 179.46 1fma h ARG 71 N 1.07 0.00 0.00 0.00 3.08 -0.61 -0.15 114.38 117.77 1fma h ARG 71 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1fma h ARG 71 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1fma h ARG 71 CO -0.22 0.15 -0.51 -0.91 -1.07 0.00 0.00 179.97 177.41 1fma h ASN 72 N 0.00 0.00 0.35 7.04 -0.26 -0.83 -3.36 115.58 118.51 1fma h ASN 72 Ca -0.00 -0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.42 1fma h ASN 72 Cb 0.45 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.66 1fma h ASN 72 CO 0.02 0.00 -1.90 0.54 -1.06 0.00 0.00 177.43 175.04 1fma n ARG 73 N -2.87 0.65 -4.04 0.81 1.74 -0.67 -4.97 116.66 107.33 1fma n ARG 73 Ca 0.02 0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1fma n ARG 73 Cb 0.54 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1fma n ARG 73 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1fma s TRP 74 N -2.57 0.49 -0.77 -1.55 0.51 -0.16 -5.09 118.94 109.80 1fma s TRP 74 Ca -0.08 -0.60 -0.24 0.00 -2.12 0.00 0.00 56.10 53.06 1fma s TRP 74 Cb 0.07 -0.31 0.06 0.00 -0.81 0.00 0.00 33.47 32.48 1fma s TRP 74 CO 0.82 -0.17 1.18 -1.25 -0.51 0.00 0.00 176.95 177.02 1fma s PRO 75 N -1.94 3.25 0.15 4.98 0.04 -1.26 -4.32 135.00 135.90 1fma s PRO 75 Ca -0.09 -0.72 0.04 0.00 0.04 0.00 0.00 61.00 60.27 1fma s PRO 75 Cb -0.07 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 1fma s PRO 75 CO -0.02 -2.00 0.15 -0.51 0.04 0.00 0.00 177.00 174.66 1fma s LEU 76 N 4.75 3.91 0.00 -3.56 1.43 -1.26 -4.35 118.68 119.60 1fma s LEU 76 Ca 0.32 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1fma s LEU 76 Cb -0.10 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1fma s LEU 76 CO 0.07 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1fma n GLY 77 N -0.25 0.56 3.77 -3.19 0.00 -0.10 -4.38 105.19 101.61 1fma n GLY 77 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1fma n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fma s ARG 78 N 3.37 3.44 0.00 1.61 0.52 -1.26 -3.49 118.95 123.14 1fma s ARG 78 Ca 0.00 1.72 0.01 0.00 -0.52 0.00 0.00 55.73 56.94 1fma s ARG 78 Cb 0.00 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 1fma s ARG 78 CO 0.00 -0.80 -0.05 0.08 0.02 0.00 0.00 175.30 174.55 1fma s VAL 79 N -1.65 0.37 -0.04 3.52 1.01 -1.01 -2.06 120.40 120.54 1fma s VAL 79 Ca 0.70 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1fma s VAL 79 Cb -0.27 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1fma s VAL 79 CO 0.31 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.43 1fma s THR 80 N -0.33 0.94 -0.09 3.92 2.01 -0.35 -0.72 115.64 121.03 1fma s THR 80 Ca -0.01 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1fma s THR 80 Cb -0.03 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1fma s THR 80 CO -0.00 0.30 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.47 1fma s VAL 81 N 0.42 0.88 -0.07 3.82 1.01 0.47 -0.39 120.40 126.54 1fma s VAL 81 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1fma s VAL 81 Cb -0.12 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1fma s VAL 81 CO 0.02 0.33 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 1fma s ILE 82 N 1.43 1.42 -0.06 2.22 1.01 0.43 -1.30 121.20 126.35 1fma s ILE 82 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1fma s ILE 82 Cb -0.13 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.10 1fma s ILE 82 CO -0.04 0.42 -0.04 -2.28 0.00 0.00 0.00 174.94 172.99 1fma s HIS 83 N 0.51 0.87 0.65 3.97 2.46 -0.27 -0.83 115.29 122.64 1fma s HIS 83 Ca -0.15 -0.28 -0.11 0.00 0.47 0.00 0.00 55.06 54.99 1fma s HIS 83 Cb -0.16 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 31.47 1fma s HIS 83 CO 0.05 -0.27 1.05 1.03 -2.47 0.00 0.00 174.74 174.13 1fma s ARG 84 N 1.24 3.36 0.38 2.88 0.52 0.16 -2.56 118.95 124.93 1fma s ARG 84 Ca -0.06 0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 1fma s ARG 84 Cb -0.14 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1fma s ARG 84 CO -0.02 -0.72 0.14 0.96 0.02 0.00 0.00 175.30 175.68 1fma s ILE 85 N -3.24 0.56 0.00 1.52 -4.36 -0.91 -4.81 121.20 109.97 1fma s ILE 85 Ca 0.56 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1fma s ILE 85 Cb -0.11 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1fma s ILE 85 CO 0.53 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.32 1fma n GLY 86 N -0.81 -1.80 3.71 6.27 0.00 -1.19 -4.25 105.19 107.12 1fma n GLY 86 Ca -0.03 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1fma n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fma s GLU 87 N 0.00 4.38 0.15 1.61 2.12 -1.26 -1.34 118.70 124.36 1fma s GLU 87 Ca 0.00 0.68 0.02 0.00 0.36 0.00 0.00 54.97 56.03 1fma s GLU 87 Cb 0.00 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1fma s GLU 87 CO 0.00 0.08 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.27 1fma s LEU 88 N 0.81 2.23 0.13 2.70 1.43 0.49 -4.98 118.68 121.49 1fma s LEU 88 Ca 0.32 -1.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1fma s LEU 88 Cb -0.16 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 1fma s LEU 88 CO 0.14 -0.53 -0.18 0.26 0.23 0.00 0.00 176.35 176.27 1fma s TRP 89 N -3.64 1.67 0.06 0.29 0.52 -1.26 -0.68 118.94 115.90 1fma s TRP 89 Ca 0.20 -0.47 -0.38 0.00 0.02 0.00 0.00 56.10 55.48 1fma s TRP 89 Cb 0.06 -0.88 -0.18 0.00 -1.15 0.00 0.00 33.47 31.32 1fma s TRP 89 CO 0.01 0.23 1.22 -2.30 0.02 0.00 0.00 176.95 176.13 1fma n PRO 90 N 0.69 0.71 0.00 4.98 -0.02 -1.26 -0.36 135.00 139.74 1fma n PRO 90 Ca -0.16 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1fma n PRO 90 Cb 0.56 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1fma n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fma n GLY 91 N 2.11 3.28 3.77 -1.23 0.00 -0.60 -4.94 105.19 107.58 1fma n GLY 91 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1fma n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fma s ASP 92 N -0.11 6.54 -0.09 1.61 1.01 0.51 -4.73 116.67 121.42 1fma s ASP 92 Ca 0.00 2.28 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 1fma s ASP 92 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1fma s ASP 92 CO 0.00 -0.66 1.01 -1.61 0.21 0.00 0.00 175.17 174.13 1fma s GLU 93 N -2.36 4.44 -0.18 8.23 2.02 -1.26 -0.77 118.70 128.82 1fma s GLU 93 Ca 0.58 1.41 0.09 0.00 0.02 0.00 0.00 54.97 57.07 1fma s GLU 93 Cb -0.29 -3.53 -0.17 0.00 0.10 0.00 0.00 34.13 30.24 1fma s GLU 93 CO 0.36 -0.28 -0.04 1.51 0.02 0.00 0.00 175.26 176.83 1fma n ILE 94 N 4.45 1.14 -3.84 -1.63 3.06 0.29 -4.87 119.36 117.96 1fma n ILE 94 Ca 0.08 -0.59 -0.12 0.00 -2.50 0.00 0.00 62.75 59.62 1fma n ILE 94 Cb 0.49 -0.84 -0.12 0.00 0.54 0.00 0.00 39.64 39.70 1fma n ILE 94 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1fma s VAL 95 N -2.40 0.02 -0.04 9.51 0.11 -0.93 -0.67 120.40 126.00 1fma s VAL 95 Ca -0.16 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1fma s VAL 95 Cb 0.06 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1fma s VAL 95 CO 0.59 -0.09 -0.06 0.12 -3.33 0.00 0.00 175.10 172.33 1fma s PHE 96 N -0.25 0.82 -0.08 1.54 5.36 -0.01 -0.98 117.98 124.38 1fma s PHE 96 Ca -0.03 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.72 1fma s PHE 96 Cb -0.02 -0.68 0.01 0.00 -0.34 0.00 0.00 43.02 41.99 1fma s PHE 96 CO 0.00 -0.18 -0.12 0.08 -1.46 0.00 0.00 175.22 173.54 1fma s VAL 97 N 0.74 1.20 -0.10 3.12 1.01 0.69 -0.43 120.40 126.63 1fma s VAL 97 Ca -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1fma s VAL 97 Cb -0.13 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1fma s VAL 97 CO 0.01 0.38 -0.13 -0.83 0.00 0.00 0.00 175.10 174.53 1fma s GLY 98 N 0.82 0.93 0.03 4.51 0.00 0.48 -0.12 107.32 113.97 1fma s GLY 98 Ca -0.11 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.02 1fma s GLY 98 CO 0.02 0.36 -0.08 0.14 0.00 0.00 0.00 173.10 173.54 1fma s VAL 99 N 1.10 0.57 0.18 1.40 1.01 0.14 -1.21 120.40 123.59 1fma s VAL 99 Ca -0.05 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1fma s VAL 99 Cb -0.14 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1fma s VAL 99 CO -0.02 -0.15 -0.13 0.42 0.00 0.00 0.00 175.10 175.21 1fma s THR 100 N -0.86 1.53 0.17 3.92 -4.23 -0.87 -0.75 115.64 114.54 1fma s THR 100 Ca -0.04 -2.14 -0.24 0.00 -1.18 0.00 0.00 61.69 58.09 1fma s THR 100 Cb -0.07 -1.95 0.06 0.00 1.34 0.00 0.00 72.50 71.88 1fma s THR 100 CO 0.00 -0.63 0.95 -0.94 -0.54 0.00 0.00 174.62 173.46 1fma s SER 101 N -3.22 -0.16 0.31 3.99 1.04 -0.37 -0.92 113.70 114.38 1fma s SER 101 Ca 0.20 -0.45 0.12 0.00 0.48 0.00 0.00 55.95 56.29 1fma s SER 101 Cb 0.00 0.51 0.50 0.00 0.10 0.00 0.00 66.02 67.13 1fma s SER 101 CO 0.05 -0.95 1.69 0.00 0.98 0.00 0.00 173.24 175.01 1fma h ALA 102 N 2.00 1.11 -3.62 5.32 0.00 -1.76 -0.30 119.26 122.01 1fma h ALA 102 Ca -0.24 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 53.69 1fma h ALA 102 Cb 1.23 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 1fma h ALA 102 CO 0.26 0.65 -0.81 -1.58 0.00 0.00 0.00 179.25 177.78 1fma s HIS 103 N -3.80 1.54 0.35 0.00 5.65 -1.26 -4.31 115.29 113.47 1fma s HIS 103 Ca -0.02 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 54.89 1fma s HIS 103 Cb 0.13 -0.86 0.63 0.00 -1.18 0.00 0.00 32.58 31.30 1fma s HIS 103 CO 0.75 0.13 1.99 0.07 -0.65 0.00 0.00 174.74 177.03 1fma h ARG 104 N 4.29 0.79 -0.81 2.88 0.11 -1.92 -2.60 114.38 117.12 1fma h ARG 104 Ca -0.43 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 1fma h ARG 104 Cb 1.18 -0.17 -0.04 0.00 1.11 0.00 0.00 29.97 32.05 1fma h ARG 104 CO 0.40 0.55 0.47 0.66 0.10 0.00 0.00 179.97 182.16 1fma h SER 105 N 0.81 0.98 -0.30 0.08 4.64 -1.99 0.63 113.55 118.40 1fma h SER 105 Ca 0.21 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 1fma h SER 105 Cb -0.04 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 1fma h SER 105 CO -0.04 0.77 -0.40 0.28 -0.87 0.00 0.00 176.83 176.57 1fma h SER 106 N 1.11 0.88 -0.24 4.97 0.02 -1.88 -0.59 113.55 117.81 1fma h SER 106 Ca 0.29 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1fma h SER 106 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1fma h SER 106 CO -0.05 1.20 0.04 0.00 -1.14 0.00 0.00 176.83 176.88 1fma h ALA 107 N 0.70 0.33 -0.39 3.77 0.00 -1.13 -0.57 119.26 121.96 1fma h ALA 107 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1fma h ALA 107 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1fma h ALA 107 CO 0.09 0.00 0.08 0.74 0.00 0.00 0.00 179.25 180.17 1fma h PHE 108 N 0.21 0.68 -0.58 0.00 0.05 -0.74 -1.65 116.94 114.90 1fma h PHE 108 Ca 0.07 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 61.71 1fma h PHE 108 Cb 0.32 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 38.06 1fma h PHE 108 CO 0.02 0.66 0.10 0.93 -0.18 0.00 0.00 178.31 179.84 1fma h GLU 109 N 0.49 0.97 -0.29 1.51 5.08 -1.01 -1.47 114.58 119.86 1fma h GLU 109 Ca 0.12 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1fma h GLU 109 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1fma h GLU 109 CO 0.00 0.91 -0.40 0.00 -1.00 0.00 0.00 179.01 178.53 1fma h ALA 110 N 1.01 0.75 -0.35 3.43 0.00 -1.06 0.30 119.26 123.34 1fma h ALA 110 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fma h ALA 110 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1fma h ALA 110 CO 0.01 0.66 0.22 0.78 0.00 0.00 0.00 179.25 180.92 1fma h GLY 111 N 0.96 0.50 0.99 0.00 0.00 -1.03 -0.22 103.07 104.28 1fma h GLY 111 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1fma h GLY 111 CO 0.08 0.19 0.21 1.46 0.00 0.00 0.00 176.54 178.49 1fma h GLN 112 N 0.46 0.44 -0.17 4.80 4.20 -0.87 -1.63 115.11 122.34 1fma h GLN 112 Ca 0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1fma h GLN 112 Cb -0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1fma h GLN 112 CO -0.03 0.31 0.08 0.35 -0.67 0.00 0.00 178.83 178.88 1fma h PHE 113 N 0.44 0.24 -0.72 2.96 3.57 -0.80 0.84 116.94 123.47 1fma h PHE 113 Ca 0.12 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1fma h PHE 113 Cb -0.03 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1fma h PHE 113 CO -0.05 0.26 0.45 0.82 -2.23 0.00 0.00 178.31 177.57 1fma h ILE 114 N 0.15 1.09 -0.38 1.41 2.04 -0.88 -0.36 117.51 120.58 1fma h ILE 114 Ca 0.06 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1fma h ILE 114 Cb 0.11 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1fma h ILE 114 CO -0.01 0.16 0.05 0.24 0.00 0.00 0.00 178.15 178.59 1fma h MET 115 N 0.87 0.64 -0.57 2.37 2.86 -1.02 0.11 114.93 120.20 1fma h MET 115 Ca 0.29 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1fma h MET 115 Cb 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1fma h MET 115 CO -0.11 0.71 0.21 -0.44 1.06 0.00 0.00 176.91 178.34 1fma h ASP 116 N 0.48 0.80 0.46 1.22 3.32 -0.26 -0.57 116.42 121.88 1fma h ASP 116 Ca 0.12 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 1fma h ASP 116 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1fma h ASP 116 CO 0.01 0.77 -0.72 1.88 -1.72 0.00 0.00 179.24 179.46 1fma h TYR 117 N 0.79 0.30 -0.87 4.55 0.99 -0.98 -2.93 116.97 118.81 1fma h TYR 117 Ca 0.19 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 1fma h TYR 117 Cb 0.23 -0.05 -0.04 0.00 1.00 0.00 0.00 36.73 37.88 1fma h TYR 117 CO 0.01 0.87 0.51 1.25 -0.00 0.00 0.00 178.16 180.80 1fma h LEU 118 N 0.15 1.06 -0.58 3.88 6.46 -0.24 0.25 115.31 126.30 1fma h LEU 118 Ca -0.02 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1fma h LEU 118 Cb 1.28 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1fma h LEU 118 CO 0.11 0.83 0.00 0.11 -0.62 0.00 0.00 178.44 178.87 1fma h LYS 119 N 1.21 0.00 0.00 1.25 1.57 -1.05 -2.26 116.57 117.29 1fma h LYS 119 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1fma h LYS 119 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1fma h LYS 119 CO -0.06 0.00 -0.23 0.25 -0.57 0.00 0.00 179.45 178.84 1fma n THR 120 N -2.41 0.00 0.00 -0.16 -2.24 -0.90 -4.86 114.28 103.70 1fma n THR 120 Ca 0.03 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1fma n THR 120 Cb 0.31 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1fma n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fma n ARG 121 N -1.12 2.03 -2.84 -0.78 1.74 0.82 -5.02 116.66 111.49 1fma n ARG 121 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1fma n ARG 121 Cb 0.04 -0.84 -0.04 0.00 -1.02 0.00 0.00 32.46 30.61 1fma n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fma s ALA 122 N -1.39 3.29 -1.22 7.54 0.00 -0.86 -4.93 121.76 124.20 1fma s ALA 122 Ca 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 1fma s ALA 122 Cb 0.00 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1fma s ALA 122 CO 0.00 -0.28 1.67 -1.25 0.00 0.00 0.00 175.76 175.90 1fma s PRO 123 N 1.18 3.83 0.01 0.00 0.04 -1.26 -4.87 135.00 133.93 1fma s PRO 123 Ca 0.45 -1.72 0.04 0.00 0.04 0.00 0.00 61.00 59.81 1fma s PRO 123 Cb -0.19 -5.48 -0.01 0.00 0.04 0.00 0.00 34.50 28.86 1fma s PRO 123 CO 0.22 -2.31 -0.13 -0.06 0.04 0.00 0.00 177.00 174.76 1fma s PHE 124 N 4.68 1.17 -0.04 0.56 0.40 -1.26 -1.60 117.98 121.88 1fma s PHE 124 Ca 0.52 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 1fma s PHE 124 Cb 0.03 -0.72 0.03 0.00 0.51 0.00 0.00 43.02 42.86 1fma s PHE 124 CO 0.03 0.00 -0.01 -1.58 0.70 0.00 0.00 175.22 174.37 1fma s TRP 125 N -0.55 0.49 -0.02 0.36 0.51 0.40 -4.97 118.94 115.16 1fma s TRP 125 Ca 0.03 -0.07 -0.22 0.00 -2.12 0.00 0.00 56.10 53.72 1fma s TRP 125 Cb -0.06 -0.56 -0.05 0.00 -0.81 0.00 0.00 33.47 31.98 1fma s TRP 125 CO 0.00 -0.19 0.63 0.15 -0.51 0.00 0.00 176.95 177.03 1fma s LYS 126 N 1.27 4.37 -0.01 4.98 1.02 -1.26 -0.31 119.74 129.80 1fma s LYS 126 Ca -0.06 0.79 0.08 0.00 0.02 0.00 0.00 55.97 56.80 1fma s LYS 126 Cb -0.13 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1fma s LYS 126 CO -0.02 0.28 -0.24 -0.98 -0.92 0.00 0.00 175.35 173.47 1fma s ARG 127 N 0.08 1.90 -0.17 1.68 1.70 0.88 -1.53 118.95 123.49 1fma s ARG 127 Ca 0.33 -0.89 -0.06 0.00 -0.47 0.00 0.00 55.73 54.64 1fma s ARG 127 Cb -0.18 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.29 1fma s ARG 127 CO 0.18 0.51 0.02 -2.00 -1.08 0.00 0.00 175.30 172.93 1fma s GLU 128 N -0.66 3.84 -1.02 3.89 2.12 0.50 0.58 118.70 127.95 1fma s GLU 128 Ca 0.09 -0.41 -0.15 0.00 0.36 0.00 0.00 54.97 54.86 1fma s GLU 128 Cb -0.09 -3.09 0.18 0.00 0.26 0.00 0.00 34.13 31.38 1fma s GLU 128 CO -0.00 0.28 1.16 0.00 -0.54 0.00 0.00 175.26 176.15 1fma s ALA 129 N 0.32 3.85 0.67 6.30 0.00 -0.28 -0.77 121.76 131.85 1fma s ALA 129 Ca 0.01 -3.18 -0.06 0.00 0.00 0.00 0.00 51.96 48.73 1fma s ALA 129 Cb -0.13 -3.92 0.04 0.00 0.00 0.00 0.00 23.12 19.11 1fma s ALA 129 CO 0.01 -2.70 0.98 0.95 0.00 0.00 0.00 175.76 175.00 1fma s THR 130 N 1.43 2.74 0.52 0.00 -4.23 -0.66 -4.15 115.64 111.29 1fma s THR 130 Ca 0.33 -0.17 0.21 0.00 -1.18 0.00 0.00 61.69 60.89 1fma s THR 130 Cb -0.06 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 70.97 1fma s THR 130 CO -0.06 -0.16 2.06 -0.65 -0.54 0.00 0.00 174.62 175.26 1fma h PRO 131 N -0.47 0.01 -0.44 3.99 0.11 -1.98 -1.57 132.00 131.65 1fma h PRO 131 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fma h PRO 131 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1fma h PRO 131 CO 0.60 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.49 1fma n GLU 132 N -4.45 2.47 0.00 1.05 4.07 -1.26 -5.05 120.64 117.47 1fma n GLU 132 Ca 0.05 -2.23 0.00 0.00 -0.06 0.00 0.00 57.16 54.91 1fma n GLU 132 Cb 0.39 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 1fma n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fma n GLY 133 N 1.50 1.61 3.76 8.31 0.00 -0.59 -5.04 105.19 114.74 1fma n GLY 133 Ca 0.20 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 1fma n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fma s ASP 134 N 0.00 7.17 -0.03 1.61 1.01 -1.26 -1.65 116.67 123.53 1fma s ASP 134 Ca 0.00 2.21 0.01 0.00 0.71 0.00 0.00 52.55 55.48 1fma s ASP 134 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.33 1fma s ASP 134 CO 0.00 -0.21 -0.04 -0.60 0.21 0.00 0.00 175.17 174.53 1fma s ARG 135 N -1.66 0.57 0.09 8.23 3.52 0.05 -4.94 118.95 124.82 1fma s ARG 135 Ca 0.47 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.66 1fma s ARG 135 Cb -0.30 -0.61 -0.06 0.00 -1.56 0.00 0.00 34.95 32.43 1fma s ARG 135 CO 0.38 -0.01 1.15 -1.58 -0.81 0.00 0.00 175.30 174.42 1fma s TRP 136 N 0.53 3.50 0.33 5.12 0.52 -1.26 -0.37 118.94 127.31 1fma s TRP 136 Ca -0.06 1.43 -0.29 0.00 0.02 0.00 0.00 56.10 57.20 1fma s TRP 136 Cb -0.10 -3.35 -0.10 0.00 -1.15 0.00 0.00 33.47 28.77 1fma s TRP 136 CO -0.00 -0.96 1.26 0.08 0.02 0.00 0.00 176.95 177.35 1fma s VAL 137 N 0.67 2.87 0.22 4.03 1.01 -0.58 -4.92 120.40 123.69 1fma s VAL 137 Ca 0.55 0.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.12 1fma s VAL 137 Cb -0.29 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1fma s VAL 137 CO 0.31 0.20 0.88 -0.70 0.00 0.00 0.00 175.10 175.79 1fma s GLU 138 N -1.77 4.74 0.47 2.72 2.56 -1.26 -4.83 118.70 121.33 1fma s GLU 138 Ca 0.49 1.36 -0.22 0.00 0.00 0.00 0.00 54.97 56.60 1fma s GLU 138 Cb -0.38 -3.24 -0.07 0.00 2.00 0.00 0.00 34.13 32.43 1fma s GLU 138 CO 0.50 0.52 1.15 0.00 -0.56 0.00 0.00 175.26 176.87 1fma s ALA 139 N -1.20 2.93 -0.19 6.30 0.00 -1.26 -5.01 121.76 123.32 1fma s ALA 139 Ca 0.40 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 53.15 1fma s ALA 139 Cb -0.25 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1fma s ALA 139 CO 0.30 -0.63 0.12 1.03 0.00 0.00 0.00 175.76 176.57 1fma s ARG 140 N -2.81 4.10 0.54 0.00 0.52 -1.26 -4.98 118.95 115.06 1fma s ARG 140 Ca 0.65 -0.24 0.21 0.00 -0.52 0.00 0.00 55.73 55.83 1fma s ARG 140 Cb -0.27 -3.36 1.45 0.00 0.52 0.00 0.00 34.95 33.29 1fma s ARG 140 CO 0.32 0.33 2.17 1.49 0.02 0.00 0.00 175.30 179.63 1fma h GLU 141 N 6.55 0.00 -0.11 3.54 4.57 -2.00 -1.31 114.58 125.82 1fma h GLU 141 Ca -0.41 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.72 1fma h GLU 141 Cb 1.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1fma h GLU 141 CO 0.74 0.02 -0.16 0.66 -1.18 0.00 0.00 179.01 179.09 1fma h SER 142 N 0.00 0.16 -0.13 1.04 4.64 -1.99 -0.44 113.55 116.83 1fma h SER 142 Ca -0.00 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1fma h SER 142 Cb 0.04 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1fma h SER 142 CO 0.00 0.34 -0.44 0.44 -0.87 0.00 0.00 176.83 176.30 1fma h ASP 143 N 0.16 0.73 -0.39 4.97 3.32 -1.64 -0.93 116.42 122.64 1fma h ASP 143 Ca 0.03 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1fma h ASP 143 Cb 0.38 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1fma h ASP 143 CO 0.02 1.06 0.16 1.56 -1.72 0.00 0.00 179.24 180.33 1fma h GLN 144 N 0.55 0.58 -0.60 3.56 1.08 -1.14 0.24 115.11 119.38 1fma h GLN 144 Ca 0.04 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1fma h GLN 144 Cb 0.98 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 1fma h GLN 144 CO 0.09 0.54 0.16 1.96 -0.95 0.00 0.00 178.83 180.64 1fma h GLN 145 N 0.48 0.94 -0.84 1.46 1.08 -1.00 -1.02 115.11 116.20 1fma h GLN 145 Ca 0.13 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1fma h GLN 145 Cb 0.18 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 1fma h GLN 145 CO -0.01 0.86 0.46 0.00 -0.95 0.00 0.00 178.83 179.19 1fma h ALA 146 N 1.04 1.23 -0.26 3.87 0.00 -0.86 -2.48 119.26 121.80 1fma h ALA 146 Ca 0.19 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1fma h ALA 146 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1fma h ALA 146 CO -0.00 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.40 1fma h ALA 147 N 1.33 0.67 0.00 0.00 0.00 -0.54 -3.14 119.26 117.58 1fma h ALA 147 Ca 0.30 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1fma h ALA 147 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1fma h ALA 147 CO -0.05 0.67 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 1fma h LYS 148 N 0.55 0.00 0.00 0.00 1.57 -0.76 -2.60 116.57 115.33 1fma h LYS 148 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1fma h LYS 148 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1fma h LYS 148 CO 0.10 0.05 -0.08 0.07 -0.57 0.00 0.00 179.45 179.01 1fma h ARG 149 N 0.00 0.00 0.00 3.15 0.11 -1.43 -3.51 114.38 112.70 1fma h ARG 149 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1fma h ARG 149 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1fma h ARG 149 CO 0.01 0.08 0.00 0.91 0.10 0.00 0.00 179.97 181.07