#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ff0 s GLU 11 N 0.00 2.86 0.15 0.11 2.02 -1.26 -5.05 118.70 117.54 2ff0 s GLU 11 Ca 0.00 -0.65 0.07 0.00 0.02 0.00 0.00 54.97 54.41 2ff0 s GLU 11 Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 2ff0 s GLU 11 CO 0.00 0.59 -0.04 -0.51 0.02 0.00 0.00 175.26 175.32 2ff0 s LEU 12 N -2.11 3.21 0.29 1.80 1.43 -1.26 -1.28 118.68 120.75 2ff0 s LEU 12 Ca 0.26 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 2ff0 s LEU 12 Cb -0.12 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 2ff0 s LEU 12 CO 0.18 0.12 1.38 0.00 0.23 0.00 0.00 176.35 178.26 2ff0 n PRO 14 N 1.63 0.12 0.00 0.00 -0.04 -1.26 -2.25 135.00 133.21 2ff0 n PRO 14 Ca 0.04 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2ff0 n PRO 14 Cb 0.41 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2ff0 n PRO 14 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2ff0 n VAL 15 N -2.01 0.00 0.11 0.52 3.14 -1.26 -4.82 118.33 114.01 2ff0 n VAL 15 Ca 0.02 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.38 2ff0 n VAL 15 Cb 0.16 -0.81 0.22 0.00 -1.06 0.00 0.00 33.84 32.35 2ff0 n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ff0 n GLY 17 N -0.10 0.82 3.90 0.00 0.00 -0.95 -4.31 105.19 104.55 2ff0 n GLY 17 Ca -0.02 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2ff0 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ff0 s ASP 18 N -2.15 5.55 0.12 1.61 1.01 -1.26 -4.38 116.67 117.17 2ff0 s ASP 18 Ca 0.00 0.89 -0.31 0.00 0.71 0.00 0.00 52.55 53.84 2ff0 s ASP 18 Cb 0.00 -1.81 -0.09 0.00 1.01 0.00 0.00 42.92 42.03 2ff0 s ASP 18 CO 0.00 -1.16 1.58 -0.54 0.21 0.00 0.00 175.17 175.25 2ff0 s LYS 19 N -5.13 4.22 0.19 8.23 3.01 -1.26 -0.03 119.74 128.97 2ff0 s LYS 19 Ca 0.55 2.30 -0.30 0.00 -1.01 0.00 0.00 55.97 57.52 2ff0 s LYS 19 Cb -0.11 -3.35 -0.08 0.00 -1.01 0.00 0.00 37.83 33.28 2ff0 s LYS 19 CO 0.48 -0.64 1.07 0.14 0.51 0.00 0.00 175.35 176.91 2ff0 s VAL 20 N 1.77 3.90 -0.81 3.17 -7.23 -0.40 -4.30 120.40 116.49 2ff0 s VAL 20 Ca 0.71 1.70 0.24 0.00 -1.81 0.00 0.00 61.98 62.82 2ff0 s VAL 20 Cb -0.41 -4.08 -0.01 0.00 0.56 0.00 0.00 36.38 32.43 2ff0 s VAL 20 CO 0.31 0.32 1.29 -1.54 -0.31 0.00 0.00 175.10 175.18 2ff0 n SER 21 N 2.14 0.60 0.00 4.85 3.41 -0.29 -4.85 113.62 119.47 2ff0 n SER 21 Ca 0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2ff0 n SER 21 Cb 0.46 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ff0 n GLY 22 N 1.42 0.30 3.62 5.00 0.00 -1.14 -5.03 105.19 109.36 2ff0 n GLY 22 Ca 0.04 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2ff0 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ff0 s TYR 23 N -2.68 2.27 -0.06 1.61 1.51 -1.26 -1.54 117.35 117.21 2ff0 s TYR 23 Ca 0.00 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 2ff0 s TYR 23 Cb 0.00 -4.09 0.02 0.00 -0.11 0.00 0.00 41.96 37.78 2ff0 s TYR 23 CO 0.00 -2.38 -0.03 -1.01 -1.11 0.00 0.00 175.55 171.02 2ff0 s HIS 24 N 5.37 0.79 -1.70 2.71 3.76 0.12 -4.84 115.29 121.50 2ff0 s HIS 24 Ca 0.66 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 2ff0 s HIS 24 Cb -0.19 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.74 2ff0 s HIS 24 CO 0.30 -0.26 0.00 0.66 -0.85 0.00 0.00 174.74 174.59 2ff0 n TYR 25 N 4.44 -0.11 0.00 1.40 4.01 -1.26 -1.83 117.16 123.82 2ff0 n TYR 25 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2ff0 n TYR 25 Cb 0.51 -2.92 0.00 0.00 -0.31 0.00 0.00 39.34 36.62 2ff0 n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ff0 n GLY 26 N -0.96 0.55 3.09 2.72 0.00 -1.26 -0.20 105.19 109.12 2ff0 n GLY 26 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ff0 s LEU 27 N 0.00 2.46 -0.46 0.99 1.43 -0.76 -4.93 118.68 117.41 2ff0 s LEU 27 Ca 0.00 -0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 51.88 2ff0 s LEU 27 Cb 0.00 0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.35 2ff0 s LEU 27 CO 0.00 -0.54 1.71 -0.76 0.23 0.00 0.00 176.35 177.00 2ff0 s LEU 28 N -2.75 3.44 0.13 1.79 2.01 -1.26 0.14 118.68 122.18 2ff0 s LEU 28 Ca 0.05 0.81 -0.01 0.00 0.01 0.00 0.00 54.13 54.99 2ff0 s LEU 28 Cb 0.05 -3.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.06 2ff0 s LEU 28 CO -0.08 -1.88 0.04 0.42 1.01 0.00 0.00 176.35 175.87 2ff0 s THR 29 N 7.25 0.21 0.64 5.49 -4.23 -0.59 -4.39 115.64 120.02 2ff0 s THR 29 Ca 0.70 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2ff0 s THR 29 Cb -0.17 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 71.74 2ff0 s THR 29 CO 0.28 -0.49 0.88 0.00 -0.54 0.00 0.00 174.62 174.75 2ff0 h GLU 31 N -0.16 0.00 -0.28 0.00 4.39 -1.97 -1.85 114.58 114.71 2ff0 h GLU 31 Ca -0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.31 2ff0 h GLU 31 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2ff0 h GLU 31 CO 0.41 0.04 0.01 1.03 -1.16 0.00 0.00 179.01 179.34 2ff0 h SER 32 N 0.00 0.48 0.22 1.42 0.87 -1.94 0.41 113.55 115.00 2ff0 h SER 32 Ca -0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 2ff0 h SER 32 Cb 0.53 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2ff0 h SER 32 CO 0.01 0.66 -0.11 0.00 -0.53 0.00 0.00 176.83 176.86 2ff0 h LYS 34 N -0.49 -0.18 -0.08 0.00 3.64 -1.31 0.27 116.57 118.42 2ff0 h LYS 34 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2ff0 h LYS 34 Cb 0.37 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2ff0 h LYS 34 CO 0.05 -0.12 0.02 0.78 -2.27 0.00 0.00 179.45 177.91 2ff0 h GLY 35 N -0.18 0.15 1.29 5.01 0.00 -0.20 -2.30 103.07 106.83 2ff0 h GLY 35 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2ff0 h GLY 35 CO -0.27 0.09 -0.12 -2.75 0.00 0.00 0.00 176.54 173.50 2ff0 h PHE 36 N -0.09 0.93 -0.27 5.60 3.57 -1.01 -0.85 116.94 124.82 2ff0 h PHE 36 Ca 0.03 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 2ff0 h PHE 36 Cb 0.26 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2ff0 h PHE 36 CO 0.01 0.91 0.17 0.35 -2.23 0.00 0.00 178.31 177.51 2ff0 h PHE 37 N 0.76 0.36 -0.10 0.41 3.57 -0.42 -0.11 116.94 121.41 2ff0 h PHE 37 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2ff0 h PHE 37 Cb 0.62 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2ff0 h PHE 37 CO 0.03 0.27 0.06 0.87 -2.23 0.00 0.00 178.31 177.31 2ff0 h LYS 38 N 0.35 0.14 -0.63 1.11 1.57 -1.23 -0.08 116.57 117.80 2ff0 h LYS 38 Ca 0.10 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 2ff0 h LYS 38 Cb 0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2ff0 h LYS 38 CO -0.02 0.16 0.42 0.00 -0.57 0.00 0.00 179.45 179.45 2ff0 h ARG 39 N 0.08 0.39 0.05 3.15 3.08 -0.76 0.25 114.38 120.62 2ff0 h ARG 39 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ff0 h ARG 39 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2ff0 h ARG 39 CO -0.01 0.26 -0.02 1.15 -1.07 0.00 0.00 179.97 180.28 2ff0 h THR 40 N 0.40 0.36 -0.20 2.04 2.02 -0.74 -3.29 112.91 113.50 2ff0 h THR 40 Ca 0.30 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.18 2ff0 h THR 40 Cb 0.62 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2ff0 h THR 40 CO -0.08 0.12 -0.28 0.58 0.37 0.00 0.00 175.52 176.23 2ff0 h VAL 41 N -1.01 1.33 -0.43 3.16 2.07 -0.75 0.37 116.25 120.99 2ff0 h VAL 41 Ca -0.01 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 2ff0 h VAL 41 Cb 0.24 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2ff0 h VAL 41 CO 0.01 0.45 0.04 1.56 0.02 0.00 0.00 177.57 179.65 2ff0 h GLN 42 N 0.21 0.74 -0.06 1.57 4.20 -0.71 -2.10 115.11 118.96 2ff0 h GLN 42 Ca 0.02 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2ff0 h GLN 42 Cb 0.85 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2ff0 h GLN 42 CO 0.06 0.79 0.00 0.09 -0.67 0.00 0.00 178.83 179.11 2ff0 n ASN 43 N -4.44 0.41 -3.67 1.46 3.02 -1.23 -4.88 115.26 105.92 2ff0 n ASN 43 Ca -0.00 -1.72 -0.25 0.00 -0.03 0.00 0.00 54.58 52.58 2ff0 n ASN 43 Cb 0.27 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.47 2ff0 n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ff0 n ASN 44 N -0.41 -5.35 -4.77 6.41 3.02 -0.79 -4.96 115.26 108.41 2ff0 n ASN 44 Ca 0.09 -0.62 -0.38 0.00 -0.03 0.00 0.00 54.58 53.64 2ff0 n ASN 44 Cb 0.10 -4.71 -0.06 0.00 -0.61 0.00 0.00 39.78 34.50 2ff0 n ASN 44 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ff0 s LYS 45 N -6.29 4.60 -0.07 3.52 1.02 0.13 -5.02 119.74 117.63 2ff0 s LYS 45 Ca 0.53 1.47 -0.03 0.00 0.02 0.00 0.00 55.97 57.96 2ff0 s LYS 45 Cb -0.24 -2.95 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2ff0 s LYS 45 CO 0.76 0.27 0.15 -3.38 -0.92 0.00 0.00 175.35 172.23 2ff0 s HIS 46 N -1.44 -0.17 0.45 3.18 -3.43 -1.26 -4.72 115.29 107.90 2ff0 s HIS 46 Ca 0.48 0.51 0.03 0.00 -0.80 0.00 0.00 55.06 55.28 2ff0 s HIS 46 Cb -0.23 -0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 30.77 2ff0 s HIS 46 CO 0.29 -0.19 0.04 0.71 -2.00 0.00 0.00 174.74 173.60 2ff0 s TYR 47 N 1.40 1.96 -0.18 0.38 2.02 -1.26 -5.09 117.35 116.57 2ff0 s TYR 47 Ca -0.07 -1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 55.50 2ff0 s TYR 47 Cb -0.12 -1.48 0.06 0.00 -0.40 0.00 0.00 41.96 40.02 2ff0 s TYR 47 CO -0.06 0.10 0.46 0.99 -1.57 0.00 0.00 175.55 175.47 2ff0 s THR 48 N -2.98 -0.01 -0.04 -0.71 2.01 -1.26 -4.84 115.64 107.80 2ff0 s THR 48 Ca 0.19 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 2ff0 s THR 48 Cb 0.04 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2ff0 s THR 48 CO 0.10 0.02 0.43 0.00 -0.69 0.00 0.00 174.62 174.47 2ff0 h THR 50 N 4.02 0.81 -3.58 0.00 2.02 -2.01 -3.44 112.91 110.72 2ff0 h THR 50 Ca -0.48 -0.06 -0.34 0.00 0.77 0.00 0.00 66.41 66.31 2ff0 h THR 50 Cb 1.21 0.84 -0.17 0.00 -1.74 0.00 0.00 68.15 68.29 2ff0 h THR 50 CO 0.66 0.01 -0.73 -1.61 0.37 0.00 0.00 175.52 174.22 2ff0 s GLU 51 N -6.04 0.95 -0.21 6.66 2.02 -1.26 -4.95 118.70 115.88 2ff0 s GLU 51 Ca -0.14 -1.28 -0.10 0.00 0.02 0.00 0.00 54.97 53.47 2ff0 s GLU 51 Cb 0.05 -0.63 0.01 0.00 0.10 0.00 0.00 34.13 33.67 2ff0 s GLU 51 CO 0.64 0.09 0.20 -1.13 0.02 0.00 0.00 175.26 175.09 2ff0 n SER 52 N 0.28 -6.84 0.32 -0.19 3.41 -1.26 -4.82 113.62 104.51 2ff0 n SER 52 Ca -0.14 0.55 0.20 0.00 -0.26 0.00 0.00 58.87 59.22 2ff0 n SER 52 Cb 0.59 -2.87 1.10 0.00 -0.26 0.00 0.00 64.21 62.76 2ff0 n SER 52 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2ff0 h GLN 53 N 3.00 0.00 -3.16 4.33 4.20 -1.92 -3.13 115.11 118.43 2ff0 h GLN 53 Ca -0.12 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.96 2ff0 h GLN 53 Cb 0.85 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.22 2ff0 h GLN 53 CO 0.09 0.01 -0.53 -1.12 -0.67 0.00 0.00 178.83 176.61 2ff0 s SER 54 N -5.51 4.88 1.09 1.46 0.01 -1.26 -4.28 113.70 110.09 2ff0 s SER 54 Ca -0.05 -3.71 -0.18 0.00 1.31 0.00 0.00 55.95 53.32 2ff0 s SER 54 Cb 0.13 -1.67 0.25 0.00 0.21 0.00 0.00 66.02 64.95 2ff0 s SER 54 CO 0.46 -0.12 1.25 0.00 0.41 0.00 0.00 173.24 175.25 2ff0 s LYS 56 N -5.77 3.30 -0.85 0.00 -0.14 -1.26 -4.94 119.74 110.08 2ff0 s LYS 56 Ca 0.74 0.51 -0.25 0.00 -1.36 0.00 0.00 55.97 55.61 2ff0 s LYS 56 Cb -0.05 -4.12 0.02 0.00 -1.68 0.00 0.00 37.83 32.00 2ff0 s LYS 56 CO 0.54 -1.93 1.48 0.42 -0.76 0.00 0.00 175.35 175.10 2ff0 s ILE 57 N 6.11 3.73 0.32 2.17 -1.09 -1.26 -4.63 121.20 126.54 2ff0 s ILE 57 Ca 0.54 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 2ff0 s ILE 57 Cb -0.11 -4.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.00 2ff0 s ILE 57 CO 0.26 -1.70 0.07 0.47 -1.23 0.00 0.00 174.94 172.81 2ff0 n ASP 58 N 10.02 2.62 0.02 3.58 9.92 -1.26 -4.81 116.55 136.64 2ff0 n ASP 58 Ca 0.21 -2.30 -0.01 0.00 -0.53 0.00 0.00 54.79 52.16 2ff0 n ASP 58 Cb 0.50 0.14 0.27 0.00 -0.64 0.00 0.00 41.12 41.40 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2ff0 h LYS 59 N 0.00 0.48 0.03 -1.24 6.56 -1.93 -1.14 116.57 119.33 2ff0 h LYS 59 Ca -0.24 -0.13 -0.24 0.00 -1.06 0.00 0.00 60.65 58.98 2ff0 h LYS 59 Cb 0.78 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.36 2ff0 h LYS 59 CO 0.40 0.58 -1.29 1.79 -2.06 0.00 0.00 179.45 178.88 2ff0 h THR 60 N 0.45 0.95 0.00 -0.16 1.35 -1.95 -3.39 112.91 110.15 2ff0 h THR 60 Ca 0.09 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 2ff0 h THR 60 Cb 0.45 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2ff0 h THR 60 CO 0.02 0.45 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 2ff0 n GLN 61 N -4.27 0.17 0.04 4.72 6.02 -1.20 -1.82 117.38 121.04 2ff0 n GLN 61 Ca -0.30 0.12 0.12 0.00 -0.01 0.00 0.00 57.00 56.92 2ff0 n GLN 61 Cb 0.74 -1.50 0.47 0.00 1.02 0.00 0.00 30.24 30.97 2ff0 n GLN 61 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2ff0 n ARG 62 N -1.38 0.08 -0.04 -1.09 1.85 -0.43 -3.11 116.66 112.54 2ff0 n ARG 62 Ca 0.08 0.17 -0.11 0.00 -1.00 0.00 0.00 57.85 56.99 2ff0 n ARG 62 Cb 0.20 -1.62 -0.14 0.00 -1.05 0.00 0.00 32.46 29.84 2ff0 n ARG 62 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2ff0 n LYS 63 N -1.77 0.66 0.09 2.89 4.76 -0.75 -4.40 118.16 119.64 2ff0 n LYS 63 Ca 0.05 0.22 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2ff0 n LYS 63 Cb 0.30 -1.71 -0.11 0.00 -1.84 0.00 0.00 35.03 31.67 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2ff0 h ARG 64 N 0.01 0.24 -3.79 1.97 0.11 -1.66 -3.40 114.38 107.86 2ff0 h ARG 64 Ca -0.37 -0.36 -0.67 0.00 0.10 0.00 0.00 59.98 58.67 2ff0 h ARG 64 Cb 2.07 0.13 -0.38 0.00 1.11 0.00 0.00 29.97 32.89 2ff0 h ARG 64 CO 0.06 1.14 -0.54 0.00 0.10 0.00 0.00 179.97 180.74 2ff0 h PRO 66 N 7.04 0.97 -0.27 0.00 0.11 -1.80 -2.09 132.00 135.95 2ff0 h PRO 66 Ca -0.06 -0.33 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 2ff0 h PRO 66 Cb 0.95 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2ff0 h PRO 66 CO 0.67 1.00 0.14 0.35 -0.21 0.00 0.00 178.00 179.95 2ff0 h PHE 67 N 0.87 0.37 -0.41 0.65 3.57 -1.91 0.10 116.94 120.18 2ff0 h PHE 67 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2ff0 h PHE 67 Cb 0.61 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2ff0 h PHE 67 CO 0.04 0.32 0.03 0.00 -2.23 0.00 0.00 178.31 176.47 2ff0 h ARG 69 N 0.62 0.83 0.07 0.00 2.43 -1.02 0.51 114.38 117.81 2ff0 h ARG 69 Ca 0.13 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2ff0 h ARG 69 Cb 0.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ff0 h ARG 69 CO 0.01 0.97 -0.04 0.35 -1.51 0.00 0.00 179.97 179.76 2ff0 h PHE 70 N 0.64 -0.09 -0.99 2.20 3.57 -0.18 -0.77 116.94 121.32 2ff0 h PHE 70 Ca 0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2ff0 h PHE 70 Cb 0.71 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 2ff0 h PHE 70 CO 0.05 -0.02 0.65 1.96 -2.23 0.00 0.00 178.31 178.72 2ff0 h GLN 71 N -0.14 1.17 -0.58 1.11 1.08 -0.65 -1.57 115.11 115.53 2ff0 h GLN 71 Ca -0.01 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2ff0 h GLN 71 Cb 0.12 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 2ff0 h GLN 71 CO 0.02 0.78 0.35 -0.22 -0.95 0.00 0.00 178.83 178.81 2ff0 h LYS 72 N 1.21 0.68 0.39 1.46 1.63 -0.48 0.12 116.57 121.57 2ff0 h LYS 72 Ca 0.41 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 2ff0 h LYS 72 Cb 0.09 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2ff0 h LYS 72 CO -0.15 0.45 -0.23 0.00 -3.45 0.00 0.00 179.45 176.08 2ff0 h LEU 74 N -0.58 1.13 -0.31 0.00 4.07 -1.25 -0.45 115.31 117.92 2ff0 h LEU 74 Ca -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 2ff0 h LEU 74 Cb 0.47 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2ff0 h LEU 74 CO 0.05 0.90 0.10 0.74 -1.08 0.00 0.00 178.44 179.16 2ff0 h THR 75 N 1.26 1.20 0.00 0.22 2.02 -0.46 -2.88 112.91 114.27 2ff0 h THR 75 Ca 0.32 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2ff0 h THR 75 Cb 0.03 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2ff0 h THR 75 CO -0.05 0.21 0.00 -0.37 0.37 0.00 0.00 175.52 175.68 2ff0 h VAL 76 N 0.34 0.00 0.00 3.16 -1.51 -0.62 -3.45 116.25 114.16 2ff0 h VAL 76 Ca 0.10 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2ff0 h VAL 76 Cb 0.23 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2ff0 h VAL 76 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2ff0 n GLY 77 N -0.02 1.37 3.68 5.19 0.00 -1.03 -5.05 105.19 109.34 2ff0 n GLY 77 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ff0 n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ff0 s MET 78 N 0.00 4.33 -0.09 1.61 1.00 -0.21 -4.69 119.30 121.25 2ff0 s MET 78 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 55.69 57.09 2ff0 s MET 78 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 34.83 31.20 2ff0 s MET 78 CO 0.00 -0.50 1.39 1.03 0.00 0.00 0.00 175.02 176.94 2ff0 s ARG 79 N 2.43 4.24 0.24 2.03 1.81 0.72 -4.40 118.95 126.02 2ff0 s ARG 79 Ca 0.56 1.87 0.11 0.00 -1.72 0.00 0.00 55.73 56.55 2ff0 s ARG 79 Cb -0.25 -3.77 0.21 0.00 -0.45 0.00 0.00 34.95 30.69 2ff0 s ARG 79 CO 0.21 -0.70 1.52 1.25 -0.68 0.00 0.00 175.30 176.90 2ff0 h LEU 80 N 9.45 0.00 -0.64 2.53 5.85 -1.93 -2.90 115.31 127.68 2ff0 h LEU 80 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2ff0 h LEU 80 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2ff0 h LEU 80 CO 0.94 0.70 0.00 -1.84 -0.34 0.00 0.00 178.44 177.90 2ff0 n GLU 81 N -3.60 0.17 0.00 1.25 0.28 -1.26 -2.21 120.64 115.27 2ff0 n GLU 81 Ca -0.01 0.41 0.14 0.00 -0.16 0.00 0.00 57.16 57.54 2ff0 n GLU 81 Cb 0.71 -1.83 0.64 0.00 1.43 0.00 0.00 31.44 32.38 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ff0 n ALA 82 N -1.74 2.34 -2.64 -1.84 0.00 -1.09 -4.61 120.51 110.93 2ff0 n ALA 82 Ca 0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2ff0 n ALA 82 Cb 0.22 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 2ff0 n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ff0 s VAL 83 N -2.92 3.96 -1.31 0.00 1.01 -0.94 -4.91 120.40 115.29 2ff0 s VAL 83 Ca 0.16 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 2ff0 s VAL 83 Cb 0.19 -4.89 0.05 0.00 0.00 0.00 0.00 36.38 31.73 2ff0 s VAL 83 CO 0.51 -1.77 1.85 -1.14 0.00 0.00 0.00 175.10 174.55 2ff0 n ARG 84 N 8.73 2.99 0.16 2.72 3.00 -1.26 -4.72 116.66 128.27 2ff0 n ARG 84 Ca 0.09 -3.07 0.12 0.00 -0.00 0.00 0.00 57.85 54.99 2ff0 n ARG 84 Cb 0.49 -3.47 0.57 0.00 0.00 0.00 0.00 32.46 30.05 2ff0 n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ff0 h ALA 85 N 7.45 1.00 -1.94 5.13 0.00 -1.93 -3.22 119.26 125.75 2ff0 h ALA 85 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2ff0 h ALA 85 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ff0 h ALA 85 CO 1.53 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 177.31 2ff0 n ASP 86 N -2.31 0.00 0.00 0.00 2.03 -1.26 -4.98 116.55 110.03 2ff0 n ASP 86 Ca 0.00 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2ff0 n ASP 86 Cb 0.14 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2ff0 n ARG 87 N -1.19 0.00 -1.58 -0.67 3.00 -1.22 -5.12 116.66 109.88 2ff0 n ARG 87 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.85 57.35 2ff0 n ARG 87 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 2ff0 n ARG 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2ff0 n MET 88 N 0.00 1.53 0.17 -0.14 1.56 -1.26 -4.82 117.12 114.16 2ff0 n MET 88 Ca 0.00 0.50 0.13 0.00 -0.27 0.00 0.00 57.70 58.06 2ff0 n MET 88 Cb 0.00 -2.54 0.58 0.00 2.15 0.00 0.00 33.22 33.41 2ff0 n MET 88 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2ff0 h ARG 89 N 10.83 0.00 -4.04 2.12 3.08 -2.00 -3.32 114.38 121.04 2ff0 h ARG 89 Ca -0.38 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 58.95 2ff0 h ARG 89 Cb 1.30 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 2ff0 h ARG 89 CO 0.98 0.00 3.06 0.41 -1.07 0.00 0.00 179.97 183.35 2ff0 n GLY 90 N -0.33 4.37 0.85 0.04 0.00 -1.26 -4.74 105.19 104.12 2ff0 n GLY 90 Ca 0.01 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.42 2ff0 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ff0 n GLY 91 N 4.09 1.92 3.55 -0.02 0.00 -1.25 -4.78 105.19 108.70 2ff0 n GLY 91 Ca 0.51 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 2ff0 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ff0 s ARG 92 N -0.91 3.43 0.00 1.61 0.52 -1.26 -4.87 118.95 117.46 2ff0 s ARG 92 Ca 0.07 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 2ff0 s ARG 92 Cb 0.05 -4.03 0.00 0.00 0.52 0.00 0.00 34.95 31.50 2ff0 s ARG 92 CO 0.02 -1.57 0.00 0.09 0.02 0.00 0.00 175.30 173.86 2ff0 n ASN 93 N 7.92 0.00 0.18 0.23 3.02 -1.26 -4.86 115.26 120.49 2ff0 n ASN 93 Ca 0.05 -0.64 0.12 0.00 -0.03 0.00 0.00 54.58 54.08 2ff0 n ASN 93 Cb 0.48 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.29 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ff0 h LYS 94 N 0.00 0.00 -0.63 3.52 5.09 -1.99 0.19 116.57 122.76 2ff0 h LYS 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2ff0 h LYS 94 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2ff0 h LYS 94 CO 0.00 0.00 0.00 1.97 -2.09 0.00 0.00 179.45 179.33 2ff0 n PHE 95 N -2.32 0.91 -0.20 0.07 -1.74 -1.26 -4.50 117.46 108.42 2ff0 n PHE 95 Ca -0.02 -0.43 0.01 0.00 -0.56 0.00 0.00 57.45 56.45 2ff0 n PHE 95 Cb 0.04 -0.03 0.10 0.00 1.52 0.00 0.00 39.48 41.11 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2ff0 h GLY 96 N 4.60 0.70 0.85 4.97 0.00 -0.95 -1.93 103.07 111.32 2ff0 h GLY 96 Ca 0.00 0.03 0.15 0.00 0.00 0.00 0.00 47.33 47.51 2ff0 h GLY 96 CO 0.03 -0.16 0.43 -2.55 0.00 0.00 0.00 176.54 174.29 2ff0 h PRO 97 N 0.18 0.00 0.00 4.80 0.11 -1.83 -2.53 132.00 132.72 2ff0 h PRO 97 Ca 0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 2ff0 h PRO 97 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2ff0 h PRO 97 CO -0.47 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.17 2ff0 h MET 98 N 0.00 0.00 0.66 1.05 -0.00 -1.69 -1.41 114.93 113.54 2ff0 h MET 98 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.91 2ff0 h MET 98 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 2ff0 h MET 98 CO -0.00 0.15 -0.33 1.88 -0.00 0.00 0.00 176.91 178.61 2ff0 h TYR 99 N 0.00 -0.87 0.00 -0.10 0.05 -1.60 0.29 116.97 114.74 2ff0 h TYR 99 Ca -0.00 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 2ff0 h TYR 99 Cb 0.28 0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 2ff0 h TYR 99 CO 0.00 -0.53 -0.65 1.57 -1.05 0.00 0.00 178.16 177.49 2ff0 h LYS 100 N -0.91 0.00 0.36 4.88 2.10 -1.71 -1.63 116.57 119.65 2ff0 h LYS 100 Ca -0.09 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2ff0 h LYS 100 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2ff0 h LYS 100 CO 0.14 0.65 -0.17 -0.09 -2.00 0.00 0.00 179.45 177.98 2ff0 h ARG 101 N 0.00 -0.46 -0.92 0.07 2.43 -1.08 -0.46 114.38 113.96 2ff0 h ARG 101 Ca -0.01 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2ff0 h ARG 101 Cb 1.17 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 2ff0 h ARG 101 CO 0.09 -0.17 0.55 0.22 -1.51 0.00 0.00 179.97 179.14 2ff0 h ASP 102 N -0.75 1.10 -0.68 -3.80 3.58 -0.43 -1.41 116.42 114.03 2ff0 h ASP 102 Ca -0.05 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2ff0 h ASP 102 Cb 0.51 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2ff0 h ASP 102 CO 0.08 0.85 0.33 -0.09 -2.88 0.00 0.00 179.24 177.54 2ff0 h ARG 103 N 1.26 0.98 -0.03 0.28 2.43 -1.24 0.49 114.38 118.56 2ff0 h ARG 103 Ca 0.33 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2ff0 h ARG 103 Cb -0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2ff0 h ARG 103 CO -0.06 0.77 -0.51 0.00 -1.51 0.00 0.00 179.97 178.66 2ff0 h ALA 104 N 1.16 1.08 0.13 2.80 0.00 -0.55 -0.85 119.26 123.04 2ff0 h ALA 104 Ca 0.24 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2ff0 h ALA 104 Cb 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ff0 h ALA 104 CO -0.03 0.65 -0.97 -0.07 0.00 0.00 0.00 179.25 178.83 2ff0 h LEU 105 N 0.07 0.44 0.00 0.00 3.38 -0.89 -1.51 115.31 116.81 2ff0 h LEU 105 Ca -0.00 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 2ff0 h LEU 105 Cb 0.93 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2ff0 h LEU 105 CO 0.07 1.45 -0.00 0.50 0.09 0.00 0.00 178.44 180.55 2ff0 h LYS 106 N -0.36 -0.00 0.00 1.13 3.64 0.01 -3.35 116.57 117.63 2ff0 h LYS 106 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2ff0 h LYS 106 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 2ff0 h LYS 106 CO 0.13 0.02 -0.08 1.96 -2.27 0.00 0.00 179.45 179.21 2ff0 h GLN 107 N -0.03 0.00 -0.30 1.90 1.08 -1.31 -3.47 115.11 112.97 2ff0 h GLN 107 Ca -0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2ff0 h GLN 107 Cb 0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 2ff0 h GLN 107 CO 0.00 0.00 -0.12 0.94 -0.95 0.00 0.00 178.83 178.70 2ff0 n GLN 108 N -3.01 -1.57 -2.17 1.46 7.27 -0.57 -4.95 117.38 113.84 2ff0 n GLN 108 Ca -0.01 0.68 -0.39 0.00 0.07 0.00 0.00 57.00 57.35 2ff0 n GLN 108 Cb 0.04 -4.97 -0.01 0.00 2.41 0.00 0.00 30.24 27.71 2ff0 n GLN 108 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2ff0 s LYS 109 N -2.37 3.98 0.58 3.69 0.00 -1.26 -5.02 119.74 119.33 2ff0 s LYS 109 Ca 0.00 1.99 0.01 0.00 0.00 0.00 0.00 55.97 57.97 2ff0 s LYS 109 Cb 0.00 -2.69 0.05 0.00 0.00 0.00 0.00 37.83 35.18 2ff0 s LYS 109 CO 0.00 -0.43 0.81 0.15 0.00 0.00 0.00 175.35 175.88 2ff0 s LYS 110 N -2.29 2.42 0.00 1.78 1.02 -1.26 -5.15 119.74 116.25 2ff0 s LYS 110 Ca 0.58 -0.83 0.21 0.00 0.02 0.00 0.00 55.97 55.95 2ff0 s LYS 110 Cb -0.34 -2.46 0.17 0.00 -0.52 0.00 0.00 37.83 34.68 2ff0 s LYS 110 CO 0.43 -0.83 1.18 0.00 -0.92 0.00 0.00 175.35 175.22