#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ff7 n ASP 1 N 0.00 0.94 -4.76 6.12 9.92 -1.26 -5.05 116.55 122.45 3ff7 n ASP 1 Ca 0.00 -2.46 -0.40 0.00 -0.53 0.00 0.00 54.79 51.41 3ff7 n ASP 1 Cb 0.00 -0.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.13 3ff7 n ASP 1 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 3ff7 s TRP 2 N -1.00 3.40 -0.25 1.24 0.52 -1.26 -0.85 118.94 120.74 3ff7 s TRP 2 Ca 0.19 1.63 0.01 0.00 0.02 0.00 0.00 56.10 57.95 3ff7 s TRP 2 Cb 0.19 -3.34 0.07 0.00 -1.15 0.00 0.00 33.47 29.24 3ff7 s TRP 2 CO -0.04 -0.85 -0.03 0.08 0.02 0.00 0.00 176.95 176.13 3ff7 s VAL 3 N -1.24 1.48 -0.28 4.03 1.01 0.25 -4.94 120.40 120.72 3ff7 s VAL 3 Ca 0.48 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3ff7 s VAL 3 Cb -0.32 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.29 3ff7 s VAL 3 CO 0.41 -0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.68 3ff7 s ILE 4 N 1.40 2.97 0.94 2.22 -1.09 -1.26 -2.92 121.20 123.47 3ff7 s ILE 4 Ca -0.03 -1.24 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 3ff7 s ILE 4 Cb -0.19 -2.63 0.16 0.00 -1.58 0.00 0.00 42.46 38.22 3ff7 s ILE 4 CO -0.08 0.01 1.09 -2.84 -1.23 0.00 0.00 174.94 171.89 3ff7 s PRO 5 N 1.28 0.87 0.00 2.79 0.02 -1.26 -4.96 135.00 133.75 3ff7 s PRO 5 Ca -0.03 0.75 -0.30 0.00 0.02 0.00 0.00 61.00 61.43 3ff7 s PRO 5 Cb -0.19 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 3ff7 s PRO 5 CO -0.02 -2.49 1.28 -1.25 -0.33 0.00 0.00 177.00 174.19 3ff7 s PRO 6 N -4.91 4.35 -0.22 5.54 0.04 -1.26 -4.99 135.00 133.54 3ff7 s PRO 6 Ca 0.64 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 3ff7 s PRO 6 Cb -0.19 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 3ff7 s PRO 6 CO 0.58 -0.44 0.01 0.42 0.04 0.00 0.00 177.00 177.60 3ff7 s ILE 7 N 1.93 3.90 -0.02 0.56 1.01 -1.26 -4.95 121.20 122.37 3ff7 s ILE 7 Ca 0.60 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3ff7 s ILE 7 Cb -0.29 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.41 3ff7 s ILE 7 CO 0.26 0.39 -0.02 -0.55 0.00 0.00 0.00 174.94 175.02 3ff7 s SER 8 N 1.37 0.49 0.45 3.58 0.15 -1.26 -4.87 113.70 113.61 3ff7 s SER 8 Ca 0.05 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 3ff7 s SER 8 Cb -0.15 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 63.88 3ff7 s SER 8 CO 0.01 -0.05 1.21 -0.76 1.20 0.00 0.00 173.24 174.85 3ff7 s LEU 9 N 0.69 4.06 0.00 3.45 1.43 -1.26 -5.03 118.68 122.02 3ff7 s LEU 9 Ca -0.07 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 3ff7 s LEU 9 Cb -0.11 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.96 3ff7 s LEU 9 CO -0.01 -0.95 0.00 -0.81 0.23 0.00 0.00 176.35 174.81 3ff7 n PRO 10 N -0.35 0.00 -2.69 1.29 -0.04 -1.26 -5.00 135.00 126.95 3ff7 n PRO 10 Ca 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 3ff7 n PRO 10 Cb 0.47 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.98 3ff7 n PRO 10 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ff7 n GLU 11 N 0.00 0.26 0.00 0.54 1.02 -1.26 -5.08 120.64 116.12 3ff7 n GLU 11 Ca 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 3ff7 n GLU 11 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 3ff7 n GLU 11 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3ff7 n ASN 12 N 1.97 0.00 0.00 1.62 2.04 -1.26 -5.23 115.26 114.40 3ff7 n ASN 12 Ca 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.21 3ff7 n ASN 12 Cb 0.67 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.92 3ff7 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ff7 n GLY 15 N 0.00 -0.61 3.81 4.83 0.00 -1.26 -4.68 105.19 107.29 3ff7 n GLY 15 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3ff7 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ff7 s PRO 16 N -2.00 2.80 0.00 1.61 0.04 -1.26 -5.06 135.00 131.13 3ff7 s PRO 16 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3ff7 s PRO 16 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3ff7 s PRO 16 CO 0.00 -1.20 0.06 -0.06 0.04 0.00 0.00 177.00 175.84 3ff7 s PHE 17 N -3.03 3.22 0.59 0.56 0.08 -1.26 -3.85 117.98 114.30 3ff7 s PHE 17 Ca 0.59 0.17 -0.20 0.00 0.12 0.00 0.00 56.93 57.60 3ff7 s PHE 17 Cb -0.14 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 3ff7 s PHE 17 CO 0.55 0.53 1.34 -2.14 -0.10 0.00 0.00 175.22 175.39 3ff7 s PRO 18 N -1.71 2.89 -0.12 0.24 0.02 -1.26 -5.03 135.00 130.03 3ff7 s PRO 18 Ca 0.22 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.44 3ff7 s PRO 18 Cb -0.12 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 3ff7 s PRO 18 CO 0.13 -1.37 -0.20 0.21 -0.33 0.00 0.00 177.00 175.44 3ff7 s LYS 19 N -3.10 3.16 0.25 5.54 2.47 0.00 -4.96 119.74 123.10 3ff7 s LYS 19 Ca 0.76 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 54.07 3ff7 s LYS 19 Cb -0.40 -2.45 -0.09 0.00 -1.46 0.00 0.00 37.83 33.44 3ff7 s LYS 19 CO 0.45 0.15 1.26 -0.80 0.16 0.00 0.00 175.35 176.57 3ff7 s ASN 20 N 0.44 6.95 0.00 1.43 0.02 -1.26 -1.19 114.94 121.34 3ff7 s ASN 20 Ca -0.14 2.44 0.00 0.00 -1.02 0.00 0.00 52.86 54.14 3ff7 s ASN 20 Cb -0.17 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.48 3ff7 s ASN 20 CO 0.06 -0.44 0.00 0.18 0.02 0.00 0.00 177.10 176.92 3ff7 n LEU 21 N 1.82 0.00 -3.92 0.60 4.77 0.49 -4.90 117.00 115.86 3ff7 n LEU 21 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 3ff7 n LEU 21 Cb 0.43 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 3ff7 n LEU 21 CO 0.57 -0.27 -0.01 0.68 -1.33 0.00 0.00 177.39 177.03 3ff7 s VAL 22 N -0.55 0.08 -0.26 4.08 -7.23 -1.23 -5.01 120.40 110.28 3ff7 s VAL 22 Ca 0.00 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 3ff7 s VAL 22 Cb 0.00 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3ff7 s VAL 22 CO 0.00 -0.34 0.12 -1.58 -0.31 0.00 0.00 175.10 172.98 3ff7 s GLN 23 N -3.94 3.77 0.22 4.82 0.74 -1.26 -0.82 119.66 123.19 3ff7 s GLN 23 Ca 0.14 -0.42 -0.04 0.00 0.05 0.00 0.00 55.36 55.10 3ff7 s GLN 23 Cb 0.03 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 3ff7 s GLN 23 CO -0.02 -0.19 0.46 0.42 -0.55 0.00 0.00 175.29 175.40 3ff7 s ILE 24 N 1.67 5.11 0.18 -2.34 1.01 -0.02 -4.60 121.20 122.22 3ff7 s ILE 24 Ca 0.07 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 3ff7 s ILE 24 Cb -0.15 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.68 3ff7 s ILE 24 CO 0.07 -0.18 0.62 -1.59 0.00 0.00 0.00 174.94 173.86 3ff7 s LYS 25 N -3.23 1.35 -0.09 2.79 -2.85 -1.15 -4.39 119.74 112.17 3ff7 s LYS 25 Ca 0.41 -0.55 0.04 0.00 -1.00 0.00 0.00 55.97 54.88 3ff7 s LYS 25 Cb -0.11 0.59 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 3ff7 s LYS 25 CO 0.28 -0.60 -0.21 0.45 0.10 0.00 0.00 175.35 175.38 3ff7 s SER 26 N -2.77 3.40 0.00 0.03 0.15 -1.26 -0.58 113.70 112.67 3ff7 s SER 26 Ca 0.03 -0.45 0.13 0.00 0.70 0.00 0.00 55.95 56.35 3ff7 s SER 26 Cb -0.02 -1.21 0.67 0.00 -1.71 0.00 0.00 66.02 63.76 3ff7 s SER 26 CO -0.10 0.21 1.28 0.59 1.20 0.00 0.00 173.24 176.42 3ff7 n ASN 27 N 3.20 0.00 0.14 5.45 5.03 -0.03 -1.18 115.26 127.87 3ff7 n ASN 27 Ca -0.18 -0.05 0.12 0.00 0.87 0.00 0.00 54.58 55.34 3ff7 n ASN 27 Cb 0.52 -0.20 0.52 0.00 -1.02 0.00 0.00 39.78 39.61 3ff7 n ASN 27 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ff7 n LYS 28 N -1.20 0.18 0.00 3.52 4.76 -1.26 -1.62 118.16 122.54 3ff7 n LYS 28 Ca 0.07 0.49 0.04 0.00 -2.87 0.00 0.00 58.31 56.05 3ff7 n LYS 28 Cb 0.08 -1.90 0.21 0.00 -1.84 0.00 0.00 35.03 31.58 3ff7 n LYS 28 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3ff7 n ASP 29 N -2.24 0.00 0.23 4.39 5.68 -0.32 -1.14 116.55 123.15 3ff7 n ASP 29 Ca 0.01 0.41 0.13 0.00 -0.50 0.00 0.00 54.79 54.84 3ff7 n ASP 29 Cb 0.16 -0.45 0.34 0.00 -1.14 0.00 0.00 41.12 40.04 3ff7 n ASP 29 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3ff7 h LYS 30 N 0.00 0.00 0.00 0.11 1.57 -1.56 -3.27 116.57 113.43 3ff7 h LYS 30 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3ff7 h LYS 30 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ff7 h LYS 30 CO 0.00 0.06 -1.95 0.39 -0.57 0.00 0.00 179.45 177.39 3ff7 n GLU 31 N -3.13 0.65 -3.65 3.15 1.02 -0.29 -5.06 120.64 113.33 3ff7 n GLU 31 Ca 0.02 -0.16 -0.01 0.00 -0.02 0.00 0.00 57.16 57.00 3ff7 n GLU 31 Cb 0.47 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 3ff7 n GLU 31 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ff7 s GLY 32 N -4.40 -0.36 0.14 0.62 0.00 -1.10 -5.13 107.32 97.10 3ff7 s GLY 32 Ca -0.07 0.63 -0.31 0.00 0.00 0.00 0.00 44.72 44.97 3ff7 s GLY 32 CO 0.81 0.13 1.43 1.25 0.00 0.00 0.00 173.10 176.72 3ff7 s LYS 33 N -2.67 4.30 -0.00 2.90 2.36 -1.26 -4.13 119.74 121.24 3ff7 s LYS 33 Ca 0.13 2.16 0.07 0.00 -2.55 0.00 0.00 55.97 55.78 3ff7 s LYS 33 Cb 0.03 -3.21 -0.02 0.00 -1.05 0.00 0.00 37.83 33.57 3ff7 s LYS 33 CO -0.03 -0.46 -0.23 0.08 1.55 0.00 0.00 175.35 176.26 3ff7 s VAL 34 N 0.98 2.33 -0.10 4.02 1.01 -1.26 -4.23 120.40 123.14 3ff7 s VAL 34 Ca 0.65 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3ff7 s VAL 34 Cb -0.39 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3ff7 s VAL 34 CO 0.32 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.38 3ff7 s PHE 35 N -0.71 2.65 0.09 5.22 0.08 0.66 -4.73 117.98 121.24 3ff7 s PHE 35 Ca 0.11 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.47 3ff7 s PHE 35 Cb -0.10 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 3ff7 s PHE 35 CO 0.01 -0.23 0.09 0.71 -0.10 0.00 0.00 175.22 175.70 3ff7 s TYR 36 N 0.13 3.21 0.15 0.36 2.02 0.23 -1.74 117.35 121.71 3ff7 s TYR 36 Ca -0.09 0.08 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 3ff7 s TYR 36 Cb -0.16 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3ff7 s TYR 36 CO 0.06 0.53 0.42 -1.54 -1.57 0.00 0.00 175.55 173.45 3ff7 s SER 37 N -2.46 -0.20 0.02 2.29 1.04 -1.03 -4.13 113.70 109.23 3ff7 s SER 37 Ca 0.30 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3ff7 s SER 37 Cb -0.12 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3ff7 s SER 37 CO 0.22 -0.92 -0.05 0.27 0.98 0.00 0.00 173.24 173.74 3ff7 s ILE 38 N -3.85 0.35 0.23 -1.02 -4.36 -1.26 -0.65 121.20 110.65 3ff7 s ILE 38 Ca 0.07 -0.71 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 3ff7 s ILE 38 Cb 0.01 -0.40 -0.05 0.00 1.25 0.00 0.00 42.46 43.27 3ff7 s ILE 38 CO -0.07 -0.24 0.05 0.42 0.24 0.00 0.00 174.94 175.33 3ff7 s THR 39 N -0.93 0.73 0.00 8.37 -4.23 -0.29 -4.53 115.64 114.76 3ff7 s THR 39 Ca -0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3ff7 s THR 39 Cb -0.07 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3ff7 s THR 39 CO -0.00 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3ff7 n GLY 40 N -0.41 1.60 3.71 3.99 0.00 -1.26 -0.57 105.19 112.24 3ff7 n GLY 40 Ca -0.03 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3ff7 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ff7 s GLN 41 N -1.59 4.17 0.00 1.61 -2.07 -1.22 -0.41 119.66 120.15 3ff7 s GLN 41 Ca 0.00 2.47 0.00 0.00 -1.82 0.00 0.00 55.36 56.01 3ff7 s GLN 41 Cb 0.00 -3.28 0.00 0.00 -1.09 0.00 0.00 33.01 28.64 3ff7 s GLN 41 CO 0.00 -0.71 0.00 0.41 -1.32 0.00 0.00 175.29 173.67 3ff7 n GLY 42 N 3.95 2.92 0.00 2.60 0.00 -0.72 -4.26 105.19 109.69 3ff7 n GLY 42 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ff7 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ff7 n ALA 43 N -1.38 0.62 1.02 4.61 0.00 0.46 -0.19 120.51 125.64 3ff7 n ALA 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3ff7 n ALA 43 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3ff7 n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ff7 n ASP 44 N -0.16 1.79 -4.37 0.00 5.75 -0.93 -0.44 116.55 118.18 3ff7 n ASP 44 Ca 0.00 -1.38 -0.29 0.00 -0.01 0.00 0.00 54.79 53.12 3ff7 n ASP 44 Cb 0.00 0.52 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 3ff7 n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ff7 s THR 45 N -2.56 2.17 0.03 2.12 -4.23 -1.06 -4.89 115.64 107.22 3ff7 s THR 45 Ca 0.17 -1.65 -0.37 0.00 -1.18 0.00 0.00 61.69 58.66 3ff7 s THR 45 Cb 0.18 -1.91 -0.17 0.00 1.34 0.00 0.00 72.50 71.94 3ff7 s THR 45 CO 0.61 0.13 1.37 -2.65 -0.54 0.00 0.00 174.62 173.55 3ff7 n PRO 46 N 1.12 1.05 -2.50 3.99 -0.02 -1.26 -1.76 135.00 135.62 3ff7 n PRO 46 Ca -0.18 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 3ff7 n PRO 46 Cb 0.53 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3ff7 n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ff7 s PRO 47 N 0.83 4.37 0.33 0.52 0.04 -1.26 -4.44 135.00 135.38 3ff7 s PRO 47 Ca 0.87 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 63.26 3ff7 s PRO 47 Cb -1.00 -3.55 -0.09 0.00 0.04 0.00 0.00 34.50 29.90 3ff7 s PRO 47 CO 0.50 -0.42 1.02 0.08 0.04 0.00 0.00 177.00 178.22 3ff7 s VAL 48 N 2.17 3.82 -1.18 -0.36 1.01 -1.19 -1.75 120.40 122.92 3ff7 s VAL 48 Ca 0.54 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.12 3ff7 s VAL 48 Cb -0.23 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3ff7 s VAL 48 CO 0.21 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3ff7 n GLY 49 N 0.79 1.16 0.31 4.51 0.00 0.41 -4.87 105.19 107.50 3ff7 n GLY 49 Ca 0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 3ff7 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ff7 h VAL 50 N 0.00 1.25 -4.36 1.61 2.07 -0.71 -3.43 116.25 112.68 3ff7 h VAL 50 Ca -0.23 -0.97 -0.68 0.00 0.82 0.00 0.00 66.70 65.64 3ff7 h VAL 50 Cb 0.95 0.66 -0.27 0.00 -1.52 0.00 0.00 31.29 31.11 3ff7 h VAL 50 CO 0.33 0.36 -0.88 -0.36 0.02 0.00 0.00 177.57 177.04 3ff7 s PHE 51 N -5.19 2.26 0.05 1.57 0.08 0.30 -0.77 117.98 116.27 3ff7 s PHE 51 Ca -0.11 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.53 3ff7 s PHE 51 Cb 0.15 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3ff7 s PHE 51 CO 0.83 0.08 -0.04 0.96 -0.10 0.00 0.00 175.22 176.95 3ff7 s ILE 52 N -0.75 0.30 -0.04 0.64 -4.36 -0.66 -4.46 121.20 111.87 3ff7 s ILE 52 Ca 0.11 -1.49 0.04 0.00 -0.26 0.00 0.00 60.65 59.05 3ff7 s ILE 52 Cb -0.10 -1.08 -0.00 0.00 1.25 0.00 0.00 42.46 42.53 3ff7 s ILE 52 CO 0.01 -0.77 -0.16 -0.51 0.24 0.00 0.00 174.94 173.76 3ff7 s ILE 53 N -2.88 1.30 -0.19 8.37 2.07 -1.26 -0.34 121.20 128.27 3ff7 s ILE 53 Ca -0.01 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.29 3ff7 s ILE 53 Cb 0.00 -1.12 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 3ff7 s ILE 53 CO -0.05 0.38 1.60 -1.61 -1.91 0.00 0.00 174.94 173.35 3ff7 s GLU 54 N -0.00 3.88 0.32 3.50 2.02 -0.20 -4.87 118.70 123.35 3ff7 s GLU 54 Ca -0.02 1.74 0.08 0.00 0.02 0.00 0.00 54.97 56.80 3ff7 s GLU 54 Cb -0.10 -4.01 0.83 0.00 0.10 0.00 0.00 34.13 30.95 3ff7 s GLU 54 CO 0.01 -1.19 1.75 -0.09 0.02 0.00 0.00 175.26 175.76 3ff7 h ARG 55 N 10.40 0.64 0.00 1.61 9.65 -1.92 0.77 114.38 135.53 3ff7 h ARG 55 Ca -0.34 -0.04 -0.31 0.00 -1.10 0.00 0.00 59.98 58.19 3ff7 h ARG 55 Cb 1.15 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 29.54 3ff7 h ARG 55 CO 0.99 0.42 -1.91 0.39 2.80 0.00 0.00 179.97 182.67 3ff7 n GLU 56 N -4.82 0.65 -0.01 0.20 1.02 -1.26 0.77 120.64 117.19 3ff7 n GLU 56 Ca 0.25 0.20 0.02 0.00 -0.02 0.00 0.00 57.16 57.61 3ff7 n GLU 56 Cb 0.68 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 30.26 3ff7 n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ff7 n THR 57 N -2.94 0.82 -0.81 2.62 -2.24 -1.13 -4.90 114.28 105.70 3ff7 n THR 57 Ca -0.21 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3ff7 n THR 57 Cb 1.07 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3ff7 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ff7 n GLY 58 N 1.44 0.72 3.64 3.38 0.00 0.25 -4.66 105.19 109.96 3ff7 n GLY 58 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3ff7 n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ff7 s TRP 59 N -2.67 2.14 -0.01 1.61 0.52 -1.25 -0.84 118.94 118.43 3ff7 s TRP 59 Ca 0.00 0.50 -0.23 0.00 0.02 0.00 0.00 56.10 56.39 3ff7 s TRP 59 Cb 0.00 -3.92 -0.05 0.00 -1.15 0.00 0.00 33.47 28.35 3ff7 s TRP 59 CO 0.00 -3.05 0.70 -1.17 0.02 0.00 0.00 176.95 173.46 3ff7 s LEU 60 N 4.79 4.39 0.06 2.99 2.96 -0.00 -1.03 118.68 132.83 3ff7 s LEU 60 Ca 0.70 1.28 0.04 0.00 -0.22 0.00 0.00 54.13 55.94 3ff7 s LEU 60 Cb -0.27 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 3ff7 s LEU 60 CO 0.28 -0.02 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.63 3ff7 s LYS 61 N 0.29 0.73 -0.15 1.98 1.02 0.54 -0.38 119.74 123.76 3ff7 s LYS 61 Ca 0.37 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 3ff7 s LYS 61 Cb -0.19 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 3ff7 s LYS 61 CO 0.20 0.15 0.08 0.54 -0.92 0.00 0.00 175.35 175.39 3ff7 s VAL 62 N -1.22 4.95 -1.96 3.17 0.11 -0.33 -1.65 120.40 123.47 3ff7 s VAL 62 Ca -0.04 0.01 0.23 0.00 -2.93 0.00 0.00 61.98 59.25 3ff7 s VAL 62 Cb -0.09 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 3ff7 s VAL 62 CO 0.01 0.53 1.10 0.35 -3.33 0.00 0.00 175.10 173.77 3ff7 n THR 63 N 2.81 0.00 -3.48 5.04 -2.24 0.05 -0.82 114.28 115.63 3ff7 n THR 63 Ca -0.18 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 3ff7 n THR 63 Cb 0.53 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 3ff7 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ff7 s GLU 64 N -2.52 1.28 0.33 -0.78 -1.05 -1.26 -4.60 118.70 110.11 3ff7 s GLU 64 Ca 0.18 -0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.17 3ff7 s GLU 64 Cb 0.18 0.57 -0.11 0.00 -0.44 0.00 0.00 34.13 34.33 3ff7 s GLU 64 CO 0.59 -0.56 1.52 -1.25 0.95 0.00 0.00 175.26 176.51 3ff7 s PRO 65 N -3.77 4.14 0.00 -4.83 0.04 -1.26 -4.84 135.00 124.47 3ff7 s PRO 65 Ca 0.02 2.54 0.21 0.00 0.04 0.00 0.00 61.00 63.81 3ff7 s PRO 65 Cb -0.01 -3.00 1.03 0.00 0.04 0.00 0.00 34.50 32.55 3ff7 s PRO 65 CO -0.11 -0.55 1.68 1.28 0.04 0.00 0.00 177.00 179.34 3ff7 n LEU 66 N 1.28 0.00 0.01 -3.56 4.77 -1.26 -2.39 117.00 115.85 3ff7 n LEU 66 Ca 0.04 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 3ff7 n LEU 66 Cb 0.39 -0.35 0.37 0.00 -2.33 0.00 0.00 43.42 41.49 3ff7 n LEU 66 CO 0.63 -0.10 0.77 -0.90 -1.33 0.00 0.00 177.39 176.47 3ff7 n ASP 67 N -1.35 0.08 0.10 -1.43 5.75 -1.26 -1.48 116.55 116.96 3ff7 n ASP 67 Ca 0.09 0.52 0.13 0.00 -0.01 0.00 0.00 54.79 55.51 3ff7 n ASP 67 Cb 0.19 -0.54 0.38 0.00 -1.03 0.00 0.00 41.12 40.13 3ff7 n ASP 67 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ff7 n ARG 68 N -1.59 0.27 -4.09 0.11 1.74 -1.00 -4.86 116.66 107.25 3ff7 n ARG 68 Ca 0.04 0.21 -0.23 0.00 -0.77 0.00 0.00 57.85 57.10 3ff7 n ARG 68 Cb 0.20 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 3ff7 n ARG 68 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ff7 s GLU 69 N -3.11 2.34 -0.06 5.56 0.41 -0.55 -5.07 118.70 118.23 3ff7 s GLU 69 Ca 0.10 -1.61 0.09 0.00 -0.41 0.00 0.00 54.97 53.14 3ff7 s GLU 69 Cb 0.12 -2.14 0.13 0.00 -1.78 0.00 0.00 34.13 30.47 3ff7 s GLU 69 CO 0.61 0.06 1.03 0.54 -0.49 0.00 0.00 175.26 177.00 3ff7 n ARG 70 N -1.18 0.94 -4.05 1.61 5.12 -1.26 -5.02 116.66 112.83 3ff7 n ARG 70 Ca -0.02 -1.75 -0.31 0.00 -1.93 0.00 0.00 57.85 53.84 3ff7 n ARG 70 Cb 0.62 -1.02 -0.06 0.00 -1.16 0.00 0.00 32.46 30.83 3ff7 n ARG 70 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3ff7 s ILE 71 N -1.45 4.62 0.14 0.55 -4.36 -1.26 -5.03 121.20 114.40 3ff7 s ILE 71 Ca 0.15 -0.69 -0.10 0.00 -0.26 0.00 0.00 60.65 59.74 3ff7 s ILE 71 Cb 0.13 -3.21 -0.07 0.00 1.25 0.00 0.00 42.46 40.56 3ff7 s ILE 71 CO 0.01 0.16 1.44 0.00 0.24 0.00 0.00 174.94 176.79 3ff7 h ALA 72 N 3.39 0.53 -2.53 2.27 0.00 -1.96 -3.45 119.26 117.51 3ff7 h ALA 72 Ca -0.47 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 53.83 3ff7 h ALA 72 Cb 1.16 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.69 3ff7 h ALA 72 CO 0.66 0.68 -0.57 0.95 0.00 0.00 0.00 179.25 180.97 3ff7 s THR 73 N -4.23 0.16 -0.13 0.00 -4.23 -1.26 -1.06 115.64 104.89 3ff7 s THR 73 Ca -0.11 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3ff7 s THR 73 Cb 0.11 -1.05 0.01 0.00 1.34 0.00 0.00 72.50 72.91 3ff7 s THR 73 CO 0.88 -0.71 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.75 3ff7 s TYR 74 N -3.00 2.35 -0.42 3.99 1.51 0.77 -4.96 117.35 117.59 3ff7 s TYR 74 Ca -0.02 -1.15 -0.11 0.00 -1.01 0.00 0.00 57.07 54.78 3ff7 s TYR 74 Cb 0.01 -1.63 0.06 0.00 -0.11 0.00 0.00 41.96 40.29 3ff7 s TYR 74 CO -0.06 -0.55 0.28 0.99 -1.11 0.00 0.00 175.55 175.10 3ff7 s THR 75 N 0.89 4.60 0.32 -0.71 2.01 -1.26 -0.62 115.64 120.87 3ff7 s THR 75 Ca -0.07 -1.15 0.07 0.00 0.31 0.00 0.00 61.69 60.85 3ff7 s THR 75 Cb -0.15 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 3ff7 s THR 75 CO -0.02 -0.44 0.39 -0.76 -0.69 0.00 0.00 174.62 173.10 3ff7 s LEU 76 N 1.52 3.88 -0.07 4.42 1.43 -0.01 -3.46 118.68 126.39 3ff7 s LEU 76 Ca 0.03 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3ff7 s LEU 76 Cb -0.22 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.45 3ff7 s LEU 76 CO 0.05 -0.35 -0.03 -0.36 0.23 0.00 0.00 176.35 175.88 3ff7 s PHE 77 N -2.19 0.89 0.07 0.29 0.40 0.27 0.34 117.98 118.04 3ff7 s PHE 77 Ca 0.42 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 56.39 3ff7 s PHE 77 Cb -0.08 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.55 3ff7 s PHE 77 CO 0.29 -0.32 0.31 -1.54 0.70 0.00 0.00 175.22 174.66 3ff7 s SER 78 N 1.50 6.48 0.07 1.36 1.04 0.21 -1.13 113.70 123.23 3ff7 s SER 78 Ca -0.01 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.02 3ff7 s SER 78 Cb -0.13 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 3ff7 s SER 78 CO -0.04 0.16 -0.18 -1.00 0.98 0.00 0.00 173.24 173.16 3ff7 s HIS 79 N -1.47 1.56 -0.05 5.02 3.76 0.18 -1.47 115.29 122.81 3ff7 s HIS 79 Ca 0.34 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 3ff7 s HIS 79 Cb -0.13 -0.89 0.03 0.00 1.11 0.00 0.00 32.58 32.70 3ff7 s HIS 79 CO 0.21 0.11 0.01 0.00 -0.85 0.00 0.00 174.74 174.22 3ff7 s ALA 80 N -1.02 0.48 0.17 -1.40 0.00 -1.26 -2.46 121.76 116.27 3ff7 s ALA 80 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.04 3ff7 s ALA 80 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3ff7 s ALA 80 CO 0.03 -0.33 0.03 0.14 0.00 0.00 0.00 175.76 175.62 3ff7 s VAL 81 N 1.68 0.48 0.70 0.00 -7.23 -0.71 -0.57 120.40 114.75 3ff7 s VAL 81 Ca -0.00 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 3ff7 s VAL 81 Cb -0.13 -2.14 0.13 0.00 0.56 0.00 0.00 36.38 34.80 3ff7 s VAL 81 CO -0.03 -0.43 0.96 -1.54 -0.31 0.00 0.00 175.10 173.75 3ff7 n SER 82 N -0.21 1.66 -0.25 4.85 3.41 -0.52 -0.25 113.62 122.31 3ff7 n SER 82 Ca -0.06 -2.31 0.03 0.00 -0.26 0.00 0.00 58.87 56.27 3ff7 n SER 82 Cb 0.64 -0.59 0.12 0.00 -0.26 0.00 0.00 64.21 64.12 3ff7 n SER 82 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ff7 h SER 83 N -0.37 -0.52 0.30 4.04 0.02 -1.90 0.89 113.55 116.01 3ff7 h SER 83 Ca -0.32 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3ff7 h SER 83 Cb 1.27 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.21 3ff7 h SER 83 CO 0.38 -0.21 0.00 -0.46 -1.14 0.00 0.00 176.83 175.39 3ff7 n ASN 84 N -5.42 0.00 0.00 3.07 2.04 -1.26 -4.84 115.26 108.85 3ff7 n ASN 84 Ca 0.12 0.24 0.00 0.00 -0.44 0.00 0.00 54.58 54.49 3ff7 n ASN 84 Cb 0.42 -0.36 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 3ff7 n ASN 84 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ff7 n GLY 85 N -0.21 0.68 3.73 4.83 0.00 0.31 -5.05 105.19 109.47 3ff7 n GLY 85 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ff7 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ff7 s ASN 86 N -2.84 7.16 0.24 1.61 0.01 -1.26 -4.73 114.94 115.14 3ff7 s ASN 86 Ca 0.00 2.08 -0.30 0.00 -0.71 0.00 0.00 52.86 53.93 3ff7 s ASN 86 Cb 0.00 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 3ff7 s ASN 86 CO 0.00 -0.35 1.35 0.00 -1.51 0.00 0.00 177.10 176.59 3ff7 s ALA 87 N 0.33 3.55 -1.61 0.60 0.00 -1.26 -1.44 121.76 121.94 3ff7 s ALA 87 Ca 0.54 1.20 0.16 0.00 0.00 0.00 0.00 51.96 53.85 3ff7 s ALA 87 Cb -0.30 -3.50 0.31 0.00 0.00 0.00 0.00 23.12 19.63 3ff7 s ALA 87 CO 0.33 -0.61 1.22 1.33 0.00 0.00 0.00 175.76 178.02 3ff7 n VAL 88 N 2.24 0.59 -3.58 0.00 0.24 0.26 -4.91 118.33 113.17 3ff7 n VAL 88 Ca 0.05 -0.79 -0.11 0.00 -2.04 0.00 0.00 64.34 61.45 3ff7 n VAL 88 Cb 0.42 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 3ff7 n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3ff7 s GLU 89 N -1.14 1.34 0.39 7.34 0.41 -1.24 -4.93 118.70 120.87 3ff7 s GLU 89 Ca 0.27 -0.66 -0.09 0.00 -0.41 0.00 0.00 54.97 54.07 3ff7 s GLU 89 Cb 0.16 0.56 -0.06 0.00 -1.78 0.00 0.00 34.13 33.01 3ff7 s GLU 89 CO 0.22 -0.58 0.74 -0.51 -0.49 0.00 0.00 175.26 174.63 3ff7 s ASP 90 N -2.81 6.50 0.46 -0.19 1.01 -1.26 -4.65 116.67 115.73 3ff7 s ASP 90 Ca 0.04 1.06 -0.25 0.00 0.71 0.00 0.00 52.55 54.12 3ff7 s ASP 90 Cb -0.01 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 3ff7 s ASP 90 CO -0.08 -0.37 1.43 -2.84 0.21 0.00 0.00 175.17 173.52 3ff7 s PRO 91 N -3.82 3.65 -0.17 8.23 0.02 -1.26 -4.87 135.00 136.78 3ff7 s PRO 91 Ca 0.50 2.43 -0.04 0.00 0.02 0.00 0.00 61.00 63.91 3ff7 s PRO 91 Cb -0.10 -2.64 -0.02 0.00 0.02 0.00 0.00 34.50 31.75 3ff7 s PRO 91 CO 0.31 -0.85 -0.03 1.41 -0.33 0.00 0.00 177.00 177.51 3ff7 s MET 92 N -2.47 3.61 0.11 5.54 1.75 -0.54 -4.90 119.30 122.40 3ff7 s MET 92 Ca 0.61 -0.54 -0.30 0.00 -1.25 0.00 0.00 55.69 54.21 3ff7 s MET 92 Cb -0.44 -2.95 -0.06 0.00 2.84 0.00 0.00 34.83 34.22 3ff7 s MET 92 CO 0.56 0.14 1.07 -2.00 -0.65 0.00 0.00 175.02 174.14 3ff7 s GLU 93 N 0.64 4.58 -0.22 4.11 2.12 -1.26 -0.62 118.70 128.05 3ff7 s GLU 93 Ca -0.02 1.62 -0.00 0.00 0.36 0.00 0.00 54.97 56.92 3ff7 s GLU 93 Cb -0.14 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 30.96 3ff7 s GLU 93 CO 0.02 0.03 -0.03 0.42 -0.54 0.00 0.00 175.26 175.17 3ff7 s ILE 94 N 0.25 1.18 -0.20 -3.70 1.01 0.15 -4.96 121.20 114.93 3ff7 s ILE 94 Ca 0.51 -0.98 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 3ff7 s ILE 94 Cb -0.27 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3ff7 s ILE 94 CO 0.32 -0.12 0.52 -0.22 0.00 0.00 0.00 174.94 175.44 3ff7 s LEU 95 N 1.56 4.14 -0.19 2.97 2.96 -1.26 -0.83 118.68 128.03 3ff7 s LEU 95 Ca -0.04 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3ff7 s LEU 95 Cb -0.18 -2.72 0.01 0.00 0.50 0.00 0.00 46.19 43.80 3ff7 s LEU 95 CO -0.07 -0.19 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.00 3ff7 s ILE 96 N 1.70 2.64 -0.16 6.68 1.01 0.21 -4.96 121.20 128.32 3ff7 s ILE 96 Ca 0.24 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3ff7 s ILE 96 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3ff7 s ILE 96 CO 0.10 0.50 0.10 -0.89 0.00 0.00 0.00 174.94 174.75 3ff7 s THR 97 N 1.22 5.19 -0.01 2.92 2.01 -1.26 -0.16 115.64 125.56 3ff7 s THR 97 Ca 0.03 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 3ff7 s THR 97 Cb -0.14 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3ff7 s THR 97 CO -0.06 0.52 0.61 -0.69 -0.69 0.00 0.00 174.62 174.31 3ff7 s VAL 98 N -0.24 4.91 -1.54 3.82 1.01 -0.23 -4.67 120.40 123.46 3ff7 s VAL 98 Ca 0.10 1.28 0.12 0.00 0.00 0.00 0.00 61.98 63.49 3ff7 s VAL 98 Cb -0.12 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.41 3ff7 s VAL 98 CO 0.01 0.40 0.89 0.35 0.00 0.00 0.00 175.10 176.75