#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fma s VAL 14 N 0.00 5.32 -0.09 -3.33 1.01 -1.26 -5.10 120.40 116.95 3fma s VAL 14 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3fma s VAL 14 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3fma s VAL 14 CO 0.00 0.59 -0.08 -0.70 0.00 0.00 0.00 175.10 174.91 3fma s GLU 15 N -0.91 2.97 0.73 2.72 2.12 -1.26 -5.02 118.70 120.03 3fma s GLU 15 Ca 0.18 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.83 3fma s GLU 15 Cb -0.14 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.64 3fma s GLU 15 CO 0.07 0.53 1.07 -1.12 -0.54 0.00 0.00 175.26 175.28 3fma s SER 16 N -0.46 5.10 -0.02 -1.70 0.01 -1.26 -4.91 113.70 110.44 3fma s SER 16 Ca 0.07 1.58 0.07 0.00 1.31 0.00 0.00 55.95 58.98 3fma s SER 16 Cb -0.12 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 3fma s SER 16 CO 0.02 -1.62 -0.25 -0.44 0.41 0.00 0.00 173.24 171.36 3fma s SER 17 N -3.77 3.16 0.11 2.44 0.01 -1.26 -2.13 113.70 112.26 3fma s SER 17 Ca 0.59 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.47 3fma s SER 17 Cb -0.14 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 3fma s SER 17 CO 0.55 0.32 -0.16 0.26 0.41 0.00 0.00 173.24 174.62 3fma s TRP 18 N -0.61 1.49 0.28 2.43 0.52 0.19 -1.17 118.94 122.07 3fma s TRP 18 Ca 0.10 -0.49 0.08 0.00 0.02 0.00 0.00 56.10 55.81 3fma s TRP 18 Cb -0.10 -0.80 -0.06 0.00 -1.15 0.00 0.00 33.47 31.36 3fma s TRP 18 CO -0.01 0.16 -0.10 1.03 0.02 0.00 0.00 176.95 178.05 3fma s ARG 19 N -2.24 1.57 0.07 4.98 0.52 -0.39 -0.15 118.95 123.30 3fma s ARG 19 Ca 0.06 -1.77 -0.11 0.00 -0.52 0.00 0.00 55.73 53.39 3fma s ARG 19 Cb -0.08 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.09 3fma s ARG 19 CO 0.04 0.12 0.24 1.52 0.02 0.00 0.00 175.30 177.24 3fma s TYR 20 N -2.88 0.02 -0.21 -0.53 -0.85 -0.49 -1.22 117.35 111.19 3fma s TYR 20 Ca 0.29 -0.30 -0.06 0.00 -0.52 0.00 0.00 57.07 56.48 3fma s TYR 20 Cb 0.02 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 3fma s TYR 20 CO 0.12 -0.52 0.02 0.42 -1.52 0.00 0.00 175.55 174.07 3fma s ILE 21 N -3.16 4.05 1.01 -3.49 1.01 -0.67 -0.70 121.20 119.24 3fma s ILE 21 Ca -0.01 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 3fma s ILE 21 Cb 0.01 -2.84 0.24 0.00 0.01 0.00 0.00 42.46 39.88 3fma s ILE 21 CO -0.07 0.41 1.27 -0.90 0.00 0.00 0.00 174.94 175.65 3fma n ASP 22 N 4.36 -0.29 0.15 3.58 5.68 0.24 -4.38 116.55 125.89 3fma n ASP 22 Ca -0.17 -1.41 0.13 0.00 -0.50 0.00 0.00 54.79 52.84 3fma n ASP 22 Cb 0.52 -1.00 0.49 0.00 -1.14 0.00 0.00 41.12 39.99 3fma n ASP 22 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3fma h THR 23 N -1.93 0.00 -0.11 2.12 1.35 -2.00 -1.30 112.91 111.05 3fma h THR 23 Ca -0.42 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3fma h THR 23 Cb 1.18 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3fma h THR 23 CO 0.29 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.56 3fma n GLN 24 N -2.40 1.74 -0.94 4.72 1.13 -1.26 -4.93 117.38 115.45 3fma n GLN 24 Ca 0.03 -1.10 0.00 0.00 -1.94 0.00 0.00 57.00 53.99 3fma n GLN 24 Cb 0.29 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.21 3fma n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fma n GLY 25 N 1.16 0.52 3.78 1.08 0.00 -0.49 -5.03 105.19 106.22 3fma n GLY 25 Ca 0.17 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3fma n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fma s GLN 26 N -0.19 4.55 -0.24 1.61 0.74 -1.26 -4.78 119.66 120.09 3fma s GLN 26 Ca 0.00 1.17 -0.15 0.00 0.05 0.00 0.00 55.36 56.43 3fma s GLN 26 Cb 0.00 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 3fma s GLN 26 CO 0.00 0.49 0.38 0.42 -0.55 0.00 0.00 175.29 176.03 3fma s ILE 27 N -1.28 5.19 0.06 -2.34 1.01 -1.26 -0.60 121.20 121.99 3fma s ILE 27 Ca 0.40 0.62 0.06 0.00 0.00 0.00 0.00 60.65 61.73 3fma s ILE 27 Cb -0.22 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3fma s ILE 27 CO 0.26 0.21 -0.12 -1.00 0.00 0.00 0.00 174.94 174.28 3fma s HIS 28 N 1.66 2.70 -0.17 3.97 3.76 0.13 -4.97 115.29 122.37 3fma s HIS 28 Ca 0.17 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 3fma s HIS 28 Cb -0.15 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.07 3fma s HIS 28 CO 0.09 0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.74 3fma n GLY 29 N 1.16 0.32 3.76 -2.22 0.00 -1.26 -1.40 105.19 105.54 3fma n GLY 29 Ca -0.15 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 3fma n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fma s PRO 30 N -0.07 4.36 0.03 1.61 0.04 -1.26 -5.04 135.00 134.68 3fma s PRO 30 Ca 0.00 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.30 3fma s PRO 30 Cb 0.00 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 3fma s PRO 30 CO 0.00 -0.23 -0.22 -0.06 0.04 0.00 0.00 177.00 176.53 3fma s PHE 31 N -0.61 2.45 0.70 0.56 0.08 0.79 -4.82 117.98 117.12 3fma s PHE 31 Ca 0.53 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 57.12 3fma s PHE 31 Cb -0.39 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3fma s PHE 31 CO 0.47 0.18 1.08 0.95 -0.10 0.00 0.00 175.22 177.80 3fma s THR 32 N -0.85 3.55 0.20 0.64 -4.23 -1.26 0.56 115.64 114.26 3fma s THR 32 Ca 0.13 0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 61.09 3fma s THR 32 Cb -0.10 -3.15 0.21 0.00 1.34 0.00 0.00 72.50 70.80 3fma s THR 32 CO 0.03 -0.57 1.63 0.74 -0.54 0.00 0.00 174.62 175.91 3fma h THR 33 N -0.49 0.40 0.00 3.99 2.02 -1.78 -3.42 112.91 113.63 3fma h THR 33 Ca -0.45 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.34 3fma h THR 33 Cb 1.23 0.40 0.10 0.00 -1.74 0.00 0.00 68.15 68.14 3fma h THR 33 CO 0.54 0.00 1.10 1.67 0.37 0.00 0.00 175.52 179.20 3fma n GLN 34 N -5.41 0.00 0.00 6.66 7.27 -1.26 -4.60 117.38 120.03 3fma n GLN 34 Ca 0.07 -0.70 0.00 0.00 0.07 0.00 0.00 57.00 56.43 3fma n GLN 34 Cb 0.31 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 30.88 3fma n GLN 34 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3fma n SER 37 N 7.22 0.00 -0.13 1.69 2.88 -1.26 -4.69 113.62 119.33 3fma n SER 37 Ca 0.31 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.81 3fma n SER 37 Cb 0.33 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.82 3fma n SER 37 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3fma h GLN 38 N 0.00 0.05 -0.79 -1.46 4.20 -1.96 0.60 115.11 115.75 3fma h GLN 38 Ca 0.00 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3fma h GLN 38 Cb 0.00 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3fma h GLN 38 CO 0.00 0.03 0.30 -1.49 -0.67 0.00 0.00 178.83 177.00 3fma h TRP 39 N 0.05 1.21 0.24 2.96 6.55 -1.95 0.11 115.95 125.12 3fma h TRP 39 Ca 0.20 -0.10 0.01 0.00 0.95 0.00 0.00 58.89 59.95 3fma h TRP 39 Cb 0.30 -0.36 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 3fma h TRP 39 CO -0.32 0.92 -0.30 -0.92 -1.05 0.00 0.00 178.44 176.77 3fma h TYR 40 N 1.15 -0.82 -0.12 0.49 5.03 -1.80 -2.06 116.97 118.84 3fma h TYR 40 Ca 0.26 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 3fma h TYR 40 Cb 0.23 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 3fma h TYR 40 CO 0.02 -0.43 -0.06 0.82 -1.32 0.00 0.00 178.16 177.19 3fma h ILE 41 N -0.60 1.12 0.00 1.81 2.04 -0.71 0.42 117.51 121.60 3fma h ILE 41 Ca 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3fma h ILE 41 Cb 0.57 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3fma h ILE 41 CO -0.10 0.16 0.00 1.23 0.00 0.00 0.00 178.15 179.44 3fma h GLY 42 N 0.52 0.00 0.00 5.37 0.00 -0.41 -3.47 103.07 105.08 3fma h GLY 42 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3fma h GLY 42 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3fma n GLY 43 N -0.38 0.82 0.10 4.60 0.00 0.14 -4.99 105.19 105.47 3fma n GLY 43 Ca -0.00 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.47 3fma n GLY 43 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fma n TYR 44 N -2.96 0.83 -3.49 1.61 4.01 -0.82 -4.88 117.16 111.45 3fma n TYR 44 Ca 0.00 0.25 -0.37 0.00 -0.16 0.00 0.00 57.90 57.62 3fma n TYR 44 Cb 0.26 -0.92 -0.07 0.00 -0.31 0.00 0.00 39.34 38.30 3fma n TYR 44 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fma s PHE 45 N -3.30 3.44 0.35 -0.72 0.08 -1.26 -5.06 117.98 111.51 3fma s PHE 45 Ca -0.02 0.60 -0.21 0.00 0.12 0.00 0.00 56.93 57.42 3fma s PHE 45 Cb 0.10 -2.40 -0.10 0.00 -0.57 0.00 0.00 43.02 40.05 3fma s PHE 45 CO 0.81 0.17 0.87 0.00 -0.10 0.00 0.00 175.22 176.97 3fma s ALA 46 N 0.71 3.19 0.57 5.36 0.00 -1.26 -4.97 121.76 125.36 3fma s ALA 46 Ca 0.17 0.33 0.40 0.00 0.00 0.00 0.00 51.96 52.85 3fma s ALA 46 Cb -0.14 -3.03 2.13 0.00 0.00 0.00 0.00 23.12 22.08 3fma s ALA 46 CO 0.05 0.21 2.29 0.66 0.00 0.00 0.00 175.76 178.97 3fma h SER 47 N 2.51 0.00 1.18 0.00 4.64 -1.98 -1.40 113.55 118.50 3fma h SER 47 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fma h SER 47 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3fma h SER 47 CO 0.63 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 3fma n THR 48 N -3.26 0.33 -1.76 2.95 -2.24 -1.26 -0.01 114.28 109.03 3fma n THR 48 Ca -0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3fma n THR 48 Cb 0.11 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 3fma n THR 48 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3fma s LEU 49 N -3.73 4.40 -0.15 3.22 2.96 -0.53 -4.68 118.68 120.17 3fma s LEU 49 Ca 0.12 2.66 -0.29 0.00 -0.22 0.00 0.00 54.13 56.40 3fma s LEU 49 Cb 0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 3fma s LEU 49 CO 0.55 -0.99 1.21 -1.10 -1.32 0.00 0.00 176.35 174.69 3fma s GLN 50 N 3.25 4.27 0.28 1.98 -0.21 -1.26 -0.36 119.66 127.60 3fma s GLN 50 Ca 0.81 1.61 0.06 0.00 0.02 0.00 0.00 55.36 57.87 3fma s GLN 50 Cb -0.43 -3.69 -0.06 0.00 1.00 0.00 0.00 33.01 29.83 3fma s GLN 50 CO 0.37 -0.63 -0.06 0.96 -2.12 0.00 0.00 175.29 173.81 3fma s ILE 51 N 3.12 1.62 -0.13 1.08 -5.25 0.16 -1.68 121.20 120.13 3fma s ILE 51 Ca 0.53 -2.12 -0.08 0.00 -0.99 0.00 0.00 60.65 57.99 3fma s ILE 51 Cb -0.21 -2.44 0.04 0.00 2.95 0.00 0.00 42.46 42.80 3fma s ILE 51 CO 0.15 -0.30 0.31 -0.55 -1.79 0.00 0.00 174.94 172.76 3fma s SER 52 N -3.44 -0.35 -0.10 4.36 0.15 -0.36 -2.17 113.70 111.80 3fma s SER 52 Ca 0.29 0.65 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 3fma s SER 52 Cb 0.04 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3fma s SER 52 CO 0.12 -0.16 0.79 -0.60 1.20 0.00 0.00 173.24 174.59 3fma s ARG 53 N 0.97 4.40 0.04 5.44 3.00 -1.26 -1.27 118.95 130.27 3fma s ARG 53 Ca -0.07 1.01 -0.30 0.00 -1.00 0.00 0.00 55.73 55.37 3fma s ARG 53 Cb -0.07 -3.50 -0.05 0.00 0.00 0.00 0.00 34.95 31.33 3fma s ARG 53 CO -0.07 -0.11 1.09 -0.51 0.00 0.00 0.00 175.30 175.70 3fma s LEU 54 N 1.39 4.38 -0.52 -0.88 1.43 -0.32 -0.27 118.68 123.88 3fma s LEU 54 Ca 0.40 1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 55.31 3fma s LEU 54 Cb -0.18 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 3fma s LEU 54 CO 0.17 -0.36 1.86 0.61 0.23 0.00 0.00 176.35 178.87 3fma n GLY 55 N 3.00 2.55 0.14 -3.19 0.00 -1.26 -4.48 105.19 101.95 3fma n GLY 55 Ca 0.07 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.49 3fma n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fma h SER 56 N 6.17 0.00 -5.41 1.61 4.64 -1.94 -3.47 113.55 115.15 3fma h SER 56 Ca 0.30 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.45 3fma h SER 56 Cb 0.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.21 3fma h SER 56 CO 1.09 0.54 -0.58 0.42 -0.87 0.00 0.00 176.83 177.43 3fma s THR 57 N -3.12 0.09 0.85 2.95 -4.23 -1.26 -5.16 115.64 105.76 3fma s THR 57 Ca 0.02 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 3fma s THR 57 Cb 0.09 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 72.00 3fma s THR 57 CO 0.74 -0.40 1.10 -2.84 -0.54 0.00 0.00 174.62 172.68 3fma s PRO 58 N -4.04 1.59 -0.07 3.99 0.02 -1.26 -5.03 135.00 130.19 3fma s PRO 58 Ca 0.24 1.11 -0.26 0.00 0.02 0.00 0.00 61.00 62.11 3fma s PRO 58 Cb 0.07 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.82 3fma s PRO 58 CO 0.02 -2.09 0.58 -1.83 -0.33 0.00 0.00 177.00 173.35 3fma s GLU 59 N -4.85 0.91 0.00 5.54 4.04 -1.26 -4.72 118.70 118.36 3fma s GLU 59 Ca 0.63 0.26 0.26 0.00 0.04 0.00 0.00 54.97 56.17 3fma s GLU 59 Cb -0.19 0.43 0.73 0.00 0.02 0.00 0.00 34.13 35.12 3fma s GLU 59 CO 0.57 -0.25 1.55 0.25 -1.84 0.00 0.00 175.26 175.54 3fma n THR 60 N 1.32 0.00 0.07 1.83 -2.24 -0.45 -4.04 114.28 110.77 3fma n THR 60 Ca -0.19 -0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.30 3fma n THR 60 Cb 0.57 0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 3fma n THR 60 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3fma h LEU 61 N 1.10 0.44 -1.46 3.22 5.85 -1.95 -3.49 115.31 119.02 3fma h LEU 61 Ca 0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3fma h LEU 61 Cb 0.51 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3fma h LEU 61 CO 0.00 1.49 0.00 0.61 -0.34 0.00 0.00 178.44 180.20 3fma n GLY 62 N 1.68 0.76 0.00 3.75 0.00 -1.26 -5.04 105.19 105.08 3fma n GLY 62 Ca -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3fma n GLY 62 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fma n ILE 63 N -0.67 0.01 -1.61 -0.61 -5.35 -1.26 -5.05 119.36 104.82 3fma n ILE 63 Ca 0.00 -0.09 -0.57 0.00 -0.27 0.00 0.00 62.75 61.83 3fma n ILE 63 Cb 0.24 1.79 -0.07 0.00 -1.74 0.00 0.00 39.64 39.86 3fma n ILE 63 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fma n ASN 64 N -0.00 1.35 -0.38 7.28 3.02 -1.26 -2.37 115.26 122.90 3fma n ASN 64 Ca 0.00 1.13 -0.05 0.00 -0.03 0.00 0.00 54.58 55.63 3fma n ASN 64 Cb 0.22 -1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 38.29 3fma n ASN 64 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fma n ASP 65 N 3.02 -5.50 -4.94 6.41 8.00 0.62 -4.86 116.55 119.31 3fma n ASP 65 Ca 0.22 0.12 -0.26 0.00 0.71 0.00 0.00 54.79 55.57 3fma n ASP 65 Cb 0.13 -3.62 -0.03 0.00 -0.02 0.00 0.00 41.12 37.58 3fma n ASP 65 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3fma s ILE 66 N -1.35 5.26 -0.28 0.53 -4.36 -1.00 -5.01 121.20 114.99 3fma s ILE 66 Ca 0.00 -0.55 -0.09 0.00 -0.26 0.00 0.00 60.65 59.75 3fma s ILE 66 Cb 0.00 -3.75 -0.03 0.00 1.25 0.00 0.00 42.46 39.93 3fma s ILE 66 CO 0.00 -0.16 0.14 -0.36 0.24 0.00 0.00 174.94 174.80 3fma s PHE 67 N -1.83 3.16 0.09 1.37 0.08 -1.26 -4.30 117.98 115.28 3fma s PHE 67 Ca 0.36 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.23 3fma s PHE 67 Cb -0.11 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 3fma s PHE 67 CO 0.29 -0.29 -0.09 0.96 -0.10 0.00 0.00 175.22 175.99 3fma s ILE 68 N 1.68 0.81 0.63 0.64 -4.36 -0.92 -4.94 121.20 114.75 3fma s ILE 68 Ca 0.06 -1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 58.67 3fma s ILE 68 Cb -0.16 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.23 3fma s ILE 68 CO 0.07 -0.61 1.13 0.42 0.24 0.00 0.00 174.94 176.20 3fma s THR 69 N -2.55 3.11 0.26 8.37 -4.23 -1.26 -0.66 115.64 118.68 3fma s THR 69 Ca 0.04 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.09 3fma s THR 69 Cb -0.02 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.96 3fma s THR 69 CO -0.01 -0.27 1.86 0.25 -0.54 0.00 0.00 174.62 175.91 3fma h LEU 70 N 0.32 0.95 -1.48 4.79 5.85 -0.36 -1.09 115.31 124.28 3fma h LEU 70 Ca -0.48 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3fma h LEU 70 Cb 1.26 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3fma h LEU 70 CO 0.54 0.59 0.41 1.23 -0.34 0.00 0.00 178.44 180.88 3fma h GLY 71 N 1.08 0.79 1.52 3.75 0.00 -0.72 -2.70 103.07 106.78 3fma h GLY 71 Ca 0.42 -0.26 -0.26 0.00 0.00 0.00 0.00 47.33 47.23 3fma h GLY 71 CO -0.19 0.20 -1.14 -2.09 0.00 0.00 0.00 176.54 173.33 3fma h GLU 72 N 0.64 0.40 -0.13 4.80 4.81 -1.55 -2.62 114.58 120.93 3fma h GLU 72 Ca 0.26 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3fma h GLU 72 Cb 0.23 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3fma h GLU 72 CO -0.08 1.21 0.00 -0.11 -0.73 0.00 0.00 179.01 179.30 3fma n LEU 73 N -3.67 0.00 0.00 1.64 7.94 -0.51 -2.11 117.00 120.30 3fma n LEU 73 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3fma n LEU 73 Cb 0.95 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.90 3fma n LEU 73 CO 0.54 0.00 0.00 0.35 -1.11 0.00 0.00 177.39 177.17 3fma n THR 75 N 0.45 0.00 -0.04 1.96 -2.24 -0.99 -2.15 114.28 111.27 3fma n THR 75 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3fma n THR 75 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 3fma n THR 75 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fma h LYS 76 N 0.00 0.78 -0.07 -0.78 1.57 -1.73 -3.28 116.57 113.07 3fma h LYS 76 Ca 0.00 -0.57 -0.17 0.00 -1.87 0.00 0.00 60.65 58.04 3fma h LYS 76 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3fma h LYS 76 CO 0.00 1.19 -0.69 -0.07 -0.57 0.00 0.00 179.45 179.31 3fma h LEU 77 N 0.56 0.38 0.00 2.94 3.38 -1.72 -3.47 115.31 117.39 3fma h LEU 77 Ca -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3fma h LEU 77 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3fma h LEU 77 CO 0.14 0.95 0.00 -0.62 0.09 0.00 0.00 178.44 179.00 3fma n GLU 78 N -3.84 0.00 -3.63 1.13 1.02 -1.24 -4.86 120.64 109.22 3fma n GLU 78 Ca -0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 3fma n GLU 78 Cb 0.68 -3.31 -0.07 0.00 -0.02 0.00 0.00 31.44 28.71 3fma n GLU 78 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3fma s LYS 79 N -0.15 0.72 0.09 3.49 2.20 -1.26 -5.06 119.74 119.76 3fma s LYS 79 Ca 0.00 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.59 3fma s LYS 79 Cb 0.00 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 3fma s LYS 79 CO 0.00 -0.10 -0.11 1.52 -0.36 0.00 0.00 175.35 176.30 3fma s TYR 80 N 0.66 1.06 0.00 4.03 -0.85 -1.26 -5.00 117.35 115.99 3fma s TYR 80 Ca -0.02 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3fma s TYR 80 Cb -0.05 -0.59 0.00 0.00 0.38 0.00 0.00 41.96 41.71 3fma s TYR 80 CO -0.06 0.01 0.00 -3.47 -1.52 0.00 0.00 175.55 170.51 3fma n ASP 81 N 0.80 0.00 -0.04 -0.18 2.03 -1.26 -4.87 116.55 113.04 3fma n ASP 81 Ca -0.18 0.11 -0.04 0.00 0.52 0.00 0.00 54.79 55.20 3fma n ASP 81 Cb 0.57 -0.24 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 3fma n ASP 81 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3fma n THR 82 N -1.66 0.55 -3.57 5.18 -2.24 -1.26 -5.07 114.28 106.21 3fma n THR 82 Ca 0.00 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3fma n THR 82 Cb 0.00 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.51 3fma n THR 82 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fma s ASP 83 N -3.99 -0.45 0.48 3.42 1.47 -1.26 -4.79 116.67 111.54 3fma s ASP 83 Ca -0.04 0.52 0.16 0.00 1.18 0.00 0.00 52.55 54.37 3fma s ASP 83 Cb 0.03 0.41 1.13 0.00 -0.34 0.00 0.00 42.92 44.15 3fma s ASP 83 CO 0.36 -0.40 2.05 1.55 0.68 0.00 0.00 175.17 179.42 3fma h PRO 84 N 2.79 0.00 -0.01 2.11 0.13 -1.96 -2.73 132.00 132.33 3fma h PRO 84 Ca -0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3fma h PRO 84 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3fma h PRO 84 CO 0.32 0.12 -0.01 0.74 -0.23 0.00 0.00 178.00 178.94 3fma h PHE 85 N 0.00 0.03 -0.73 1.56 0.04 -1.98 -0.04 116.94 115.82 3fma h PHE 85 Ca -0.00 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3fma h PHE 85 Cb 0.21 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3fma h PHE 85 CO 0.00 0.44 0.23 1.15 -0.60 0.00 0.00 178.31 179.53 3fma h THR 86 N -0.38 1.26 -0.15 -1.55 2.02 -1.85 -2.66 112.91 109.59 3fma h THR 86 Ca 0.00 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3fma h THR 86 Cb 0.43 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3fma h THR 86 CO 0.00 0.35 0.09 0.74 0.37 0.00 0.00 175.52 177.08 3fma h THR 87 N 1.08 1.07 0.05 3.16 2.02 -1.42 -1.23 112.91 117.65 3fma h THR 87 Ca 0.24 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3fma h THR 87 Cb 0.30 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3fma h THR 87 CO -0.01 0.07 -0.38 0.15 0.37 0.00 0.00 175.52 175.72 3fma h PHE 88 N 0.17 -1.06 -0.99 3.16 3.57 -0.86 0.17 116.94 121.09 3fma h PHE 88 Ca 0.05 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3fma h PHE 88 Cb 0.03 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 3fma h PHE 88 CO -0.05 -0.47 0.65 -0.44 -2.23 0.00 0.00 178.31 175.77 3fma h ASP 89 N -0.57 1.09 0.01 0.41 5.19 -1.35 0.59 116.42 121.79 3fma h ASP 89 Ca 0.04 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3fma h ASP 89 Cb 0.63 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3fma h ASP 89 CO -0.27 0.74 -0.00 0.50 -3.12 0.00 0.00 179.24 177.09 3fma h LYS 90 N 1.26 -0.01 0.00 3.56 1.63 -0.79 -3.21 116.57 119.01 3fma h LYS 90 Ca 0.39 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 60.03 3fma h LYS 90 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 3fma h LYS 90 CO -0.12 0.22 -1.28 -0.07 -3.45 0.00 0.00 179.45 174.74 3fma h LEU 91 N -0.24 0.00 -0.25 5.20 3.38 -0.35 -3.42 115.31 119.64 3fma h LEU 91 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fma h LEU 91 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fma h LEU 91 CO 0.00 0.60 0.00 1.41 0.09 0.00 0.00 178.44 180.54 3fma n HIS 92 N -2.96 0.00 1.34 1.13 8.25 0.20 -4.92 115.22 118.26 3fma n HIS 92 Ca -0.08 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.51 3fma n HIS 92 Cb 0.84 0.00 0.39 0.00 1.12 0.00 0.00 29.99 32.33 3fma n HIS 92 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26