#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b75 s PHE 2 N 0.00 1.76 -0.68 2.03 0.08 -1.26 -4.76 117.98 115.15 1b75 s PHE 2 Ca 0.00 0.67 0.05 0.00 0.12 0.00 0.00 56.93 57.77 1b75 s PHE 2 Cb 0.00 -3.53 0.17 0.00 -0.57 0.00 0.00 43.02 39.09 1b75 s PHE 2 CO 0.00 -2.88 0.47 0.99 -0.10 0.00 0.00 175.22 173.70 1b75 s THR 3 N -3.29 2.71 -0.34 0.64 2.01 -1.26 -3.28 115.64 112.84 1b75 s THR 3 Ca 0.68 -4.12 -0.25 0.00 0.31 0.00 0.00 61.69 58.31 1b75 s THR 3 Cb -0.12 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.61 1b75 s THR 3 CO 0.54 -1.01 0.86 -0.63 -0.69 0.00 0.00 174.62 173.70 1b75 s ILE 4 N -1.29 4.68 0.33 1.82 1.09 -1.01 -4.93 121.20 121.89 1b75 s ILE 4 Ca 0.25 1.17 -0.27 0.00 -1.10 0.00 0.00 60.65 60.69 1b75 s ILE 4 Cb -0.05 -4.25 -0.09 0.00 -1.06 0.00 0.00 42.46 37.00 1b75 s ILE 4 CO -0.16 -0.41 1.13 0.20 -0.10 0.00 0.00 174.94 175.59 1b75 s ASN 5 N 1.76 6.97 0.11 3.58 0.01 -1.26 -0.96 114.94 125.15 1b75 s ASN 5 Ca 0.35 2.29 -0.18 0.00 -0.71 0.00 0.00 52.86 54.61 1b75 s ASN 5 Cb -0.13 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 38.96 1b75 s ASN 5 CO 0.16 -0.36 0.46 0.00 -1.51 0.00 0.00 177.10 175.85 1b75 s ALA 6 N -1.30 -1.12 0.08 0.60 0.00 -0.64 -4.49 121.76 114.89 1b75 s ALA 6 Ca 0.50 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1b75 s ALA 6 Cb -0.31 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1b75 s ALA 6 CO 0.39 -0.63 0.04 -2.00 0.00 0.00 0.00 175.76 173.56 1b75 s GLU 7 N -3.47 0.74 -1.16 0.00 2.12 -1.26 -2.82 118.70 112.85 1b75 s GLU 7 Ca 0.01 -1.23 -0.13 0.00 0.36 0.00 0.00 54.97 53.98 1b75 s GLU 7 Cb 0.01 0.24 -0.07 0.00 0.26 0.00 0.00 34.13 34.58 1b75 s GLU 7 CO -0.10 -0.18 2.28 1.33 -0.54 0.00 0.00 175.26 178.05 1b75 n VAL 8 N 0.03 2.92 -3.80 3.70 0.24 -1.26 -0.83 118.33 119.32 1b75 n VAL 8 Ca -0.12 -2.09 -0.34 0.00 -2.04 0.00 0.00 64.34 59.75 1b75 n VAL 8 Cb 0.62 -2.40 0.03 0.00 -1.47 0.00 0.00 33.84 30.62 1b75 n VAL 8 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1b75 n ARG 9 N 5.23 -1.23 -3.71 7.34 0.63 -1.26 -4.91 116.66 118.75 1b75 n ARG 9 Ca 0.55 0.37 -0.11 0.00 -0.92 0.00 0.00 57.85 57.73 1b75 n ARG 9 Cb 0.28 -3.82 -0.11 0.00 0.45 0.00 0.00 32.46 29.26 1b75 n ARG 9 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1b75 s LYS 10 N -6.36 0.39 0.50 -0.14 2.36 -1.26 -4.43 119.74 110.80 1b75 s LYS 10 Ca 0.43 0.68 0.06 0.00 -2.55 0.00 0.00 55.97 54.60 1b75 s LYS 10 Cb -0.17 0.04 0.02 0.00 -1.05 0.00 0.00 37.83 36.67 1b75 s LYS 10 CO 0.89 -0.13 0.40 -1.21 1.55 0.00 0.00 175.35 176.85 1b75 s GLU 11 N 1.01 2.32 -0.69 4.03 0.41 -1.26 -4.89 118.70 119.63 1b75 s GLU 11 Ca -0.06 -1.86 -0.26 0.00 -0.41 0.00 0.00 54.97 52.37 1b75 s GLU 11 Cb -0.07 -2.19 -0.05 0.00 -1.78 0.00 0.00 34.13 30.05 1b75 s GLU 11 CO -0.08 -0.48 2.04 -0.65 -0.49 0.00 0.00 175.26 175.59 1b75 s GLN 12 N -4.23 2.40 0.00 1.61 1.11 -1.26 -4.46 119.66 114.83 1b75 s GLN 12 Ca 0.40 0.48 0.00 0.00 0.01 0.00 0.00 55.36 56.25 1b75 s GLN 12 Cb -0.02 -4.65 0.00 0.00 -1.01 0.00 0.00 33.01 27.33 1b75 s GLN 12 CO 0.24 -3.19 0.00 0.41 0.01 0.00 0.00 175.29 172.76 1b75 n GLY 13 N 6.19 -0.33 2.96 3.09 0.00 -1.26 -4.88 105.19 110.95 1b75 n GLY 13 Ca 0.31 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1b75 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b75 s LYS 14 N -1.98 0.24 2.02 1.61 2.36 -1.26 -5.05 119.74 117.69 1b75 s LYS 14 Ca 0.00 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 1b75 s LYS 14 Cb 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 37.83 36.85 1b75 s LYS 14 CO 0.00 -0.04 0.00 0.41 1.55 0.00 0.00 175.35 177.27 1b75 n GLY 15 N 1.95 1.21 3.63 5.54 0.00 -1.26 -4.88 105.19 111.38 1b75 n GLY 15 Ca -0.21 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 1b75 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b75 s ALA 16 N -2.00 -1.81 -1.26 4.61 0.00 -1.26 -4.73 121.76 115.30 1b75 s ALA 16 Ca 0.00 2.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.94 1b75 s ALA 16 Cb 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1b75 s ALA 16 CO 0.00 -0.32 0.99 0.43 0.00 0.00 0.00 175.76 176.85 1b75 n SER 17 N 2.62 -2.84 -2.47 0.00 7.64 -1.26 -4.92 113.62 112.39 1b75 n SER 17 Ca -0.14 -0.64 -0.29 0.00 1.01 0.00 0.00 58.87 58.81 1b75 n SER 17 Cb 0.55 -4.89 0.01 0.00 -1.01 0.00 0.00 64.21 58.88 1b75 n SER 17 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1b75 n ARG 18 N -4.34 3.34 0.00 1.43 1.74 -1.26 -4.65 116.66 112.91 1b75 n ARG 18 Ca -0.22 -4.28 0.00 0.00 -0.77 0.00 0.00 57.85 52.57 1b75 n ARG 18 Cb 0.64 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1b75 n ARG 18 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1b75 n ARG 19 N -0.54 0.00 -0.28 5.56 3.00 -1.26 -4.89 116.66 118.25 1b75 n ARG 19 Ca 0.43 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 58.42 1b75 n ARG 19 Cb 0.65 0.00 0.40 0.00 0.00 0.00 0.00 32.46 33.51 1b75 n ARG 19 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1b75 h LEU 20 N 0.00 0.62 -3.88 6.15 8.10 -1.88 -0.29 115.31 124.14 1b75 h LEU 20 Ca 0.00 0.05 -0.29 0.00 0.11 0.00 0.00 57.88 57.75 1b75 h LEU 20 Cb 0.00 -0.07 -0.11 0.00 -0.44 0.00 0.00 40.66 40.04 1b75 h LEU 20 CO 0.00 0.28 0.12 -1.14 -4.11 0.00 0.00 178.44 173.59 1b75 n ARG 21 N -4.59 1.92 0.00 0.17 0.63 -1.26 -3.64 116.66 109.89 1b75 n ARG 21 Ca 0.19 -1.41 0.00 0.00 -0.92 0.00 0.00 57.85 55.71 1b75 n ARG 21 Cb 0.55 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1b75 n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b75 n ALA 22 N 1.28 0.00 -1.00 5.13 0.00 -0.99 -5.11 120.51 119.82 1b75 n ALA 22 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1b75 n ALA 22 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1b75 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b75 n ALA 23 N -1.93 0.00 -2.79 0.00 0.00 -0.15 -5.05 120.51 110.60 1b75 n ALA 23 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1b75 n ALA 23 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1b75 n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1b75 n ASN 24 N 0.00 -2.48 -4.29 0.00 5.15 -1.26 -5.01 115.26 107.37 1b75 n ASN 24 Ca 0.00 -3.35 -0.16 0.00 -0.60 0.00 0.00 54.58 50.48 1b75 n ASN 24 Cb 0.00 1.63 -0.10 0.00 -0.53 0.00 0.00 39.78 40.78 1b75 n ASN 24 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1b75 s LYS 25 N 0.40 1.37 -0.12 1.20 1.02 -1.25 -2.36 119.74 119.99 1b75 s LYS 25 Ca 0.30 -1.73 -0.24 0.00 0.02 0.00 0.00 55.97 54.32 1b75 s LYS 25 Cb 0.24 -0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1b75 s LYS 25 CO -0.19 -0.31 0.58 -0.59 -0.92 0.00 0.00 175.35 173.91 1b75 s PHE 26 N -3.84 -0.57 0.53 3.18 -0.71 -0.26 -4.72 117.98 111.60 1b75 s PHE 26 Ca 0.38 1.18 -0.18 0.00 -1.04 0.00 0.00 56.93 57.26 1b75 s PHE 26 Cb 0.08 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1b75 s PHE 26 CO 0.13 -0.44 1.05 -1.25 -1.34 0.00 0.00 175.22 173.36 1b75 s PRO 27 N -0.57 3.59 0.16 1.99 0.04 -1.26 -2.10 135.00 136.85 1b75 s PRO 27 Ca -0.07 1.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 1b75 s PRO 27 Cb -0.03 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1b75 s PRO 27 CO 0.05 -0.60 0.05 0.00 0.04 0.00 0.00 177.00 176.55 1b75 s ALA 28 N -2.21 1.08 -0.01 8.56 0.00 -0.36 -4.58 121.76 124.24 1b75 s ALA 28 Ca 0.65 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1b75 s ALA 28 Cb -0.16 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1b75 s ALA 28 CO 0.28 -0.46 -0.16 0.42 0.00 0.00 0.00 175.76 175.85 1b75 s ILE 29 N -3.94 1.24 -0.24 0.00 1.01 -0.76 -1.00 121.20 117.51 1b75 s ILE 29 Ca 0.27 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1b75 s ILE 29 Cb 0.07 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1b75 s ILE 29 CO 0.04 0.33 -0.04 -0.63 0.00 0.00 0.00 174.94 174.65 1b75 s ILE 30 N -0.40 3.19 0.29 2.92 1.01 -0.40 -0.79 121.20 127.02 1b75 s ILE 30 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1b75 s ILE 30 Cb -0.06 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1b75 s ILE 30 CO -0.00 0.28 0.47 -0.31 0.00 0.00 0.00 174.94 175.37 1b75 s TYR 31 N 1.41 3.48 0.00 3.97 1.51 -0.16 -1.07 117.35 126.48 1b75 s TYR 31 Ca 0.03 0.25 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1b75 s TYR 31 Cb -0.16 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1b75 s TYR 31 CO -0.03 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.08 1b75 n GLY 32 N -1.45 0.44 0.00 0.71 0.00 -1.26 -2.03 105.19 101.59 1b75 n GLY 32 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1b75 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b75 n GLY 33 N 4.20 0.00 1.23 -0.02 0.00 -1.26 -4.60 105.19 104.75 1b75 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b75 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b75 n LYS 34 N 0.00 0.00 -2.49 1.61 4.81 -1.26 -5.16 118.16 115.67 1b75 n LYS 34 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1b75 n LYS 34 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 1b75 n LYS 34 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1b75 s GLU 35 N -1.15 2.98 0.42 1.64 2.12 -1.26 -5.04 118.70 118.40 1b75 s GLU 35 Ca 0.00 -0.06 -0.26 0.00 0.36 0.00 0.00 54.97 55.01 1b75 s GLU 35 Cb 0.00 -2.32 -0.10 0.00 0.26 0.00 0.00 34.13 31.97 1b75 s GLU 35 CO 0.00 -0.61 1.28 0.00 -0.54 0.00 0.00 175.26 175.40 1b75 n ALA 36 N -2.49 1.36 -1.68 6.30 0.00 -1.26 -4.72 120.51 118.01 1b75 n ALA 36 Ca 0.04 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1b75 n ALA 36 Cb 0.57 -2.28 0.05 0.00 0.00 0.00 0.00 19.45 17.80 1b75 n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1b75 s PRO 37 N -2.20 2.90 -0.41 0.00 0.04 -1.26 -4.96 135.00 129.10 1b75 s PRO 37 Ca 0.60 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1b75 s PRO 37 Cb -0.51 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1b75 s PRO 37 CO 0.58 -1.07 0.30 -0.51 0.04 0.00 0.00 177.00 176.34 1b75 s LEU 38 N -5.48 5.13 -0.13 -3.56 2.01 -0.23 -4.91 118.68 111.50 1b75 s LEU 38 Ca 0.58 -1.02 -0.28 0.00 0.01 0.00 0.00 54.13 53.42 1b75 s LEU 38 Cb -0.13 -2.13 -0.01 0.00 0.01 0.00 0.00 46.19 43.93 1b75 s LEU 38 CO 0.54 -0.48 0.95 0.00 1.01 0.00 0.00 176.35 178.37 1b75 s ALA 39 N 1.64 3.46 0.15 4.21 0.00 -1.26 -1.27 121.76 128.68 1b75 s ALA 39 Ca 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1b75 s ALA 39 Cb -0.20 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1b75 s ALA 39 CO 0.08 -0.64 0.05 0.96 0.00 0.00 0.00 175.76 176.21 1b75 s ILE 40 N 2.13 0.25 0.62 0.00 -5.25 -0.17 -4.00 121.20 114.78 1b75 s ILE 40 Ca 0.45 -1.94 -0.14 0.00 -0.99 0.00 0.00 60.65 58.03 1b75 s ILE 40 Cb -0.17 -2.12 -0.02 0.00 2.95 0.00 0.00 42.46 43.09 1b75 s ILE 40 CO 0.15 -0.42 1.05 -1.61 -1.79 0.00 0.00 174.94 172.33 1b75 s GLU 41 N -4.02 3.22 -0.14 0.37 0.41 -0.01 -1.23 118.70 117.29 1b75 s GLU 41 Ca 0.26 1.11 -0.12 0.00 -0.41 0.00 0.00 54.97 55.81 1b75 s GLU 41 Cb 0.07 -2.02 0.04 0.00 -1.78 0.00 0.00 34.13 30.44 1b75 s GLU 41 CO 0.03 -0.89 0.36 -1.17 -0.49 0.00 0.00 175.26 173.10 1b75 s LEU 42 N -4.84 0.56 0.92 1.80 2.96 -0.89 -4.14 118.68 115.04 1b75 s LEU 42 Ca 0.61 0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 55.13 1b75 s LEU 42 Cb -0.15 1.21 0.14 0.00 0.50 0.00 0.00 46.19 47.89 1b75 s LEU 42 CO 0.43 -0.13 1.09 -1.81 -1.32 0.00 0.00 176.35 174.61 1b75 s ASP 43 N 0.36 3.30 -0.12 3.68 1.01 -1.26 -1.10 116.67 122.54 1b75 s ASP 43 Ca -0.01 1.45 -0.13 0.00 0.71 0.00 0.00 52.55 54.57 1b75 s ASP 43 Cb -0.03 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1b75 s ASP 43 CO -0.01 -2.75 -0.24 1.57 0.21 0.00 0.00 175.17 173.95 1b75 n HIS 44 N -3.95 0.00 0.34 4.23 -0.00 -1.00 -4.52 115.22 110.33 1b75 n HIS 44 Ca 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.61 1b75 n HIS 44 Cb 0.55 -0.35 -0.09 0.00 -0.00 0.00 0.00 29.99 30.11 1b75 n HIS 44 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 1b75 h ASP 45 N -0.70 -0.73 -0.25 0.26 3.58 -1.97 -2.84 116.42 113.79 1b75 h ASP 45 Ca 0.00 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.51 1b75 h ASP 45 Cb 0.70 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 1b75 h ASP 45 CO 0.00 -0.51 0.06 0.50 -2.88 0.00 0.00 179.24 176.41 1b75 h LYS 46 N -0.84 0.16 0.00 0.28 1.63 -1.90 -1.80 116.57 114.09 1b75 h LYS 46 Ca -0.08 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1b75 h LYS 46 Cb 0.65 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1b75 h LYS 46 CO 0.13 0.11 -0.17 -0.39 -3.45 0.00 0.00 179.45 175.67 1b75 h VAL 47 N 0.16 0.54 -0.92 2.00 -1.51 -1.79 -3.14 116.25 111.59 1b75 h VAL 47 Ca 0.11 -0.84 0.09 0.00 -1.23 0.00 0.00 66.70 64.83 1b75 h VAL 47 Cb 0.10 1.57 -0.07 0.00 -2.13 0.00 0.00 31.29 30.76 1b75 h VAL 47 CO -0.14 0.17 0.59 -0.03 -1.23 0.00 0.00 177.57 176.94 1b75 h MET 48 N 0.00 0.94 -0.85 5.19 -1.53 -1.06 0.86 114.93 118.48 1b75 h MET 48 Ca -0.00 -0.06 0.19 0.00 -3.44 0.00 0.00 59.70 56.40 1b75 h MET 48 Cb 0.55 -0.21 -0.12 0.00 -0.55 0.00 0.00 31.60 31.27 1b75 h MET 48 CO 0.02 0.62 0.35 -0.97 0.14 0.00 0.00 176.91 177.07 1b75 h ASN 49 N 0.97 0.28 0.08 1.39 -0.73 -1.64 -1.34 115.58 114.59 1b75 h ASN 49 Ca 0.42 0.14 -0.22 0.00 1.87 0.00 0.00 56.30 58.51 1b75 h ASN 49 Cb 0.33 0.13 0.02 0.00 0.27 0.00 0.00 38.32 39.07 1b75 h ASN 49 CO -0.18 0.03 -0.91 0.24 -0.37 0.00 0.00 177.43 176.24 1b75 h MET 50 N 0.40 0.48 0.06 6.67 2.86 -1.12 -3.38 114.93 120.91 1b75 h MET 50 Ca 0.51 -0.62 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1b75 h MET 50 Cb 0.91 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1b75 h MET 50 CO -0.50 1.25 -0.08 1.96 1.06 0.00 0.00 176.91 180.61 1b75 h GLN 51 N -0.00 -0.14 0.00 1.72 1.08 -0.16 -3.38 115.11 114.23 1b75 h GLN 51 Ca -0.13 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1b75 h GLN 51 Cb 1.63 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1b75 h GLN 51 CO 0.17 -0.09 0.00 0.00 -0.95 0.00 0.00 178.83 177.96 1b75 n ALA 52 N -2.37 0.00 -2.00 3.87 0.00 -0.58 -3.66 120.51 115.77 1b75 n ALA 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1b75 n ALA 52 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1b75 n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b75 n LYS 53 N 0.00 0.00 -0.01 0.00 4.81 -1.26 -4.59 118.16 117.11 1b75 n LYS 53 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1b75 n LYS 53 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b75 h ALA 54 N 1.62 0.72 -1.04 3.14 0.00 -1.98 -3.40 119.26 118.32 1b75 h ALA 54 Ca 0.00 -1.33 0.26 0.00 0.00 0.00 0.00 54.91 53.85 1b75 h ALA 54 Cb 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1b75 h ALA 54 CO 0.00 1.46 0.66 1.49 0.00 0.00 0.00 179.25 182.86 1b75 h GLU 55 N 0.00 0.41 -0.68 0.00 4.57 -1.93 -3.06 114.58 113.90 1b75 h GLU 55 Ca -0.24 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1b75 h GLU 55 Cb 1.93 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 30.35 1b75 h GLU 55 CO 0.08 0.27 -0.40 0.34 -1.18 0.00 0.00 179.01 178.12 1b75 n PHE 56 N -4.66 -0.30 0.09 0.92 7.35 -1.24 -1.60 117.46 118.02 1b75 n PHE 56 Ca 0.26 0.85 -0.15 0.00 -0.76 0.00 0.00 57.45 57.64 1b75 n PHE 56 Cb 0.86 -0.54 -0.14 0.00 0.35 0.00 0.00 39.48 40.02 1b75 n PHE 56 CO 0.00 0.00 0.00 0.10 -0.76 0.00 0.00 176.76 176.10 1b75 h TYR 57 N 0.00 0.42 -0.21 -5.13 -0.00 -1.76 -3.37 116.97 106.93 1b75 h TYR 57 Ca 0.11 -0.31 0.05 0.00 -0.00 0.00 0.00 58.73 58.58 1b75 h TYR 57 Cb 0.28 -0.02 -0.07 0.00 -0.00 0.00 0.00 36.73 36.92 1b75 h TYR 57 CO -0.80 1.27 -0.38 0.77 -0.00 0.00 0.00 178.16 179.02 1b75 h SER 58 N 0.06 -1.21 -0.10 0.10 0.02 -1.31 -2.04 113.55 109.06 1b75 h SER 58 Ca -0.15 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1b75 h SER 58 Cb 1.96 0.51 0.00 0.00 0.14 0.00 0.00 62.40 65.02 1b75 h SER 58 CO 0.18 -0.39 0.00 -1.84 -1.14 0.00 0.00 176.83 173.65 1b75 n GLU 59 N -5.42 1.40 -0.69 3.45 0.28 -1.07 -5.04 120.64 113.54 1b75 n GLU 59 Ca -0.03 -0.60 0.04 0.00 -0.16 0.00 0.00 57.16 56.42 1b75 n GLU 59 Cb 0.35 -1.33 -0.02 0.00 1.43 0.00 0.00 31.44 31.87 1b75 n GLU 59 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1b75 n VAL 60 N -0.17 -0.86 -3.99 3.84 0.31 -0.77 -4.88 118.33 111.82 1b75 n VAL 60 Ca 0.14 0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 64.91 1b75 n VAL 60 Cb 0.20 -0.88 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 1b75 n VAL 60 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1b75 s LEU 61 N -4.86 0.56 0.01 7.52 2.34 -0.69 -4.16 118.68 119.39 1b75 s LEU 61 Ca 0.00 -1.25 0.01 0.00 0.06 0.00 0.00 54.13 52.95 1b75 s LEU 61 Cb 0.00 1.93 -0.01 0.00 -0.56 0.00 0.00 46.19 47.55 1b75 s LEU 61 CO 0.00 -1.37 -0.05 -0.89 -1.06 0.00 0.00 176.35 172.98 1b75 s THR 62 N -3.10 0.36 -0.12 5.48 2.01 -1.21 -1.18 115.64 117.89 1b75 s THR 62 Ca 0.24 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1b75 s THR 62 Cb -0.02 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1b75 s THR 62 CO 0.15 -0.02 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.31 1b75 s ILE 63 N -0.39 3.16 -0.78 1.82 1.01 -0.42 -2.40 121.20 123.20 1b75 s ILE 63 Ca -0.01 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1b75 s ILE 63 Cb -0.04 -2.32 0.14 0.00 0.01 0.00 0.00 42.46 40.26 1b75 s ILE 63 CO -0.00 0.54 0.89 -0.69 0.00 0.00 0.00 174.94 175.67 1b75 s VAL 64 N 0.13 4.96 -1.01 2.92 1.01 -0.13 -0.82 120.40 127.46 1b75 s VAL 64 Ca -0.06 -1.55 -0.16 0.00 0.00 0.00 0.00 61.98 60.22 1b75 s VAL 64 Cb -0.15 -4.60 0.16 0.00 0.00 0.00 0.00 36.38 31.80 1b75 s VAL 64 CO 0.04 -1.26 1.18 -0.69 0.00 0.00 0.00 175.10 174.37 1b75 s VAL 65 N 2.12 5.01 -1.15 2.92 1.01 -0.55 -1.62 120.40 128.13 1b75 s VAL 65 Ca 0.21 -2.12 -0.16 0.00 0.00 0.00 0.00 61.98 59.91 1b75 s VAL 65 Cb -0.13 -4.77 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 1b75 s VAL 65 CO -0.03 -1.46 0.78 0.47 0.00 0.00 0.00 175.10 174.86 1b75 n ASP 66 N 5.72 -4.91 -2.58 3.32 8.00 -1.13 -2.70 116.55 122.28 1b75 n ASP 66 Ca 0.27 -0.96 -0.14 0.00 0.71 0.00 0.00 54.79 54.67 1b75 n ASP 66 Cb 0.46 -3.67 0.06 0.00 -0.02 0.00 0.00 41.12 37.95 1b75 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b75 n GLY 67 N -1.63 -0.06 2.68 0.44 0.00 -1.26 -5.03 105.19 100.33 1b75 n GLY 67 Ca -0.12 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1b75 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b75 s LYS 68 N -5.49 0.49 -1.37 1.61 1.02 -1.10 -5.07 119.74 109.84 1b75 s LYS 68 Ca 0.24 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.58 1b75 s LYS 68 Cb -0.10 -1.89 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1b75 s LYS 68 CO 0.48 -0.77 1.99 0.39 -0.92 0.00 0.00 175.35 176.52 1b75 n GLU 69 N 5.08 3.08 -2.41 1.68 4.71 -1.26 -1.49 120.64 130.05 1b75 n GLU 69 Ca -0.07 -3.00 -0.42 0.00 -0.01 0.00 0.00 57.16 53.66 1b75 n GLU 69 Cb 0.46 -3.30 -0.02 0.00 -1.01 0.00 0.00 31.44 27.57 1b75 n GLU 69 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1b75 s ILE 70 N 3.08 3.87 -0.02 -3.67 1.01 0.00 -4.83 121.20 120.64 1b75 s ILE 70 Ca 0.48 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.63 1b75 s ILE 70 Cb 0.09 -4.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1b75 s ILE 70 CO -0.02 -1.04 1.30 -0.54 0.00 0.00 0.00 174.94 174.64 1b75 s LYS 71 N 5.23 4.32 0.11 2.79 1.02 -1.26 -1.31 119.74 130.65 1b75 s LYS 71 Ca 0.54 1.83 0.05 0.00 0.02 0.00 0.00 55.97 58.41 1b75 s LYS 71 Cb -0.11 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1b75 s LYS 71 CO 0.28 -0.49 -0.13 0.14 -0.92 0.00 0.00 175.35 174.22 1b75 s VAL 72 N 2.19 1.23 -0.23 3.17 -7.23 -0.33 -1.54 120.40 117.67 1b75 s VAL 72 Ca 0.60 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1b75 s VAL 72 Cb -0.28 -1.45 -0.12 0.00 0.56 0.00 0.00 36.38 35.08 1b75 s VAL 72 CO 0.25 -0.42 -0.24 1.17 -0.31 0.00 0.00 175.10 175.54 1b75 n LYS 73 N 0.62 0.53 -0.06 4.82 4.81 -0.08 -1.71 118.16 127.09 1b75 n LYS 73 Ca -0.16 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1b75 n LYS 73 Cb 0.57 -1.39 -0.00 0.00 0.02 0.00 0.00 35.03 34.22 1b75 n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b75 n ALA 74 N -3.55 -0.33 -0.94 3.14 0.00 -1.02 -4.48 120.51 113.33 1b75 n ALA 74 Ca -0.42 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1b75 n ALA 74 Cb 0.88 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1b75 n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b75 n GLN 75 N -1.85 0.00 -2.52 0.00 1.13 -1.24 -4.80 117.38 108.09 1b75 n GLN 75 Ca -0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1b75 n GLN 75 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.37 1b75 n GLN 75 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1b75 n ASP 76 N -1.10 4.86 -4.47 1.08 2.03 -1.25 -4.86 116.55 112.84 1b75 n ASP 76 Ca 0.00 -2.92 -0.44 0.00 0.52 0.00 0.00 54.79 51.95 1b75 n ASP 76 Cb 0.00 -1.72 -0.01 0.00 -0.72 0.00 0.00 41.12 38.66 1b75 n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1b75 s VAL 77 N 3.83 4.73 -1.57 5.18 1.01 -1.26 -1.88 120.40 130.44 1b75 s VAL 77 Ca 0.52 -1.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.48 1b75 s VAL 77 Cb 0.04 -4.88 -0.05 0.00 0.00 0.00 0.00 36.38 31.49 1b75 s VAL 77 CO 0.05 -1.62 2.87 1.67 0.00 0.00 0.00 175.10 178.07 1b75 n GLN 78 N 6.54 3.87 -2.59 2.72 7.27 -1.13 -4.91 117.38 129.15 1b75 n GLN 78 Ca 0.31 -2.43 -0.24 0.00 0.07 0.00 0.00 57.00 54.72 1b75 n GLN 78 Cb 0.47 -2.77 0.04 0.00 2.41 0.00 0.00 30.24 30.39 1b75 n GLN 78 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1b75 s ARG 79 N 1.56 2.69 -0.10 3.69 1.04 -1.26 -3.05 118.95 123.52 1b75 s ARG 79 Ca 0.67 -0.44 -0.01 0.00 -1.04 0.00 0.00 55.73 54.92 1b75 s ARG 79 Cb 0.18 -2.40 0.03 0.00 -2.04 0.00 0.00 34.95 30.72 1b75 s ARG 79 CO -0.07 -0.70 -0.04 -1.58 -0.04 0.00 0.00 175.30 172.87 1b75 s HIS 80 N -2.86 1.17 0.78 5.89 2.46 -1.26 -4.87 115.29 116.60 1b75 s HIS 80 Ca 0.55 -0.53 -0.12 0.00 0.47 0.00 0.00 55.06 55.43 1b75 s HIS 80 Cb -0.10 -1.07 0.06 0.00 -0.13 0.00 0.00 32.58 31.34 1b75 s HIS 80 CO 0.41 -0.45 1.15 -1.25 -2.47 0.00 0.00 174.74 172.13 1b75 s PRO 81 N 1.81 2.21 0.00 2.88 0.04 -1.26 -4.01 135.00 136.67 1b75 s PRO 81 Ca 0.05 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1b75 s PRO 81 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1b75 s PRO 81 CO -0.07 -1.43 0.00 0.66 0.04 0.00 0.00 177.00 176.20 1b75 n TYR 82 N -3.22 0.00 -4.33 0.56 4.01 -1.26 -4.64 117.16 108.28 1b75 n TYR 82 Ca 0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.48 1b75 n TYR 82 Cb 0.60 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.50 1b75 n TYR 82 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1b75 s LYS 83 N 0.00 3.60 0.48 -0.72 0.00 -1.26 -5.12 119.74 116.72 1b75 s LYS 83 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 55.97 55.23 1b75 s LYS 83 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 37.83 34.82 1b75 s LYS 83 CO 0.00 0.15 0.99 -1.25 0.00 0.00 0.00 175.35 175.24 1b75 s PRO 84 N 0.60 3.98 0.27 1.78 0.04 -1.26 -4.65 135.00 135.77 1b75 s PRO 84 Ca -0.03 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1b75 s PRO 84 Cb -0.14 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1b75 s PRO 84 CO 0.03 -0.25 0.00 1.63 0.04 0.00 0.00 177.00 178.45 1b75 n LYS 85 N -1.14 0.00 -3.52 4.56 4.76 -1.26 -4.97 118.16 116.59 1b75 n LYS 85 Ca 0.07 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 1b75 n LYS 85 Cb 0.54 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.76 1b75 n LYS 85 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1b75 n LEU 86 N -3.40 -3.87 0.29 -0.35 4.77 -1.26 -4.93 117.00 108.25 1b75 n LEU 86 Ca 0.00 -0.81 -0.16 0.00 -0.03 0.00 0.00 56.01 55.00 1b75 n LEU 86 Cb 0.00 -2.61 -0.08 0.00 -2.33 0.00 0.00 43.42 38.40 1b75 n LEU 86 CO 0.00 0.15 0.65 1.56 -1.33 0.00 0.00 177.39 178.43 1b75 h GLN 87 N -1.24 -0.67 -2.62 3.23 1.08 -1.93 -3.47 115.11 109.50 1b75 h GLN 87 Ca -0.55 0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 56.64 1b75 h GLN 87 Cb 1.30 0.15 -0.17 0.00 -0.05 0.00 0.00 27.48 28.72 1b75 h GLN 87 CO 0.43 -0.42 0.08 -1.58 -0.95 0.00 0.00 178.83 176.39 1b75 s HIS 88 N -5.78 -0.48 -0.11 2.96 2.46 -1.26 -4.91 115.29 108.17 1b75 s HIS 88 Ca -0.16 0.61 -0.01 0.00 0.47 0.00 0.00 55.06 55.97 1b75 s HIS 88 Cb 0.03 0.37 0.03 0.00 -0.13 0.00 0.00 32.58 32.88 1b75 s HIS 88 CO 0.60 -0.64 -0.07 0.42 -2.47 0.00 0.00 174.74 172.59 1b75 s ILE 89 N -2.22 0.94 -0.86 0.89 -1.09 -1.26 -2.83 121.20 114.77 1b75 s ILE 89 Ca -0.06 -0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 1b75 s ILE 89 Cb -0.01 -0.97 0.22 0.00 -1.58 0.00 0.00 42.46 40.12 1b75 s ILE 89 CO 0.00 0.35 0.78 -1.81 -1.23 0.00 0.00 174.94 173.04 1b75 s ASP 90 N 1.74 6.49 0.71 3.58 1.11 -0.79 -1.83 116.67 127.68 1b75 s ASP 90 Ca 0.05 -3.07 -0.13 0.00 0.18 0.00 0.00 52.55 49.58 1b75 s ASP 90 Cb -0.13 -2.10 0.02 0.00 1.07 0.00 0.00 42.92 41.79 1b75 s ASP 90 CO -0.08 -0.42 1.10 -0.36 1.18 0.00 0.00 175.17 176.60 1b75 s PHE 91 N -0.41 2.62 -0.04 4.23 0.08 0.03 -3.59 117.98 120.90 1b75 s PHE 91 Ca 0.22 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 58.80 1b75 s PHE 91 Cb -0.12 -3.10 0.03 0.00 -0.57 0.00 0.00 43.02 39.26 1b75 s PHE 91 CO -0.08 -1.72 0.08 0.08 -0.10 0.00 0.00 175.22 173.49 1b75 s VAL 92 N -2.61 -0.04 0.21 -0.44 1.01 -1.26 -0.99 120.40 116.28 1b75 s VAL 92 Ca 0.64 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1b75 s VAL 92 Cb -0.19 -0.15 -0.16 0.00 0.00 0.00 0.00 36.38 35.88 1b75 s VAL 92 CO 0.48 0.07 0.80 0.54 0.00 0.00 0.00 175.10 176.99 1b75 n ARG 93 N 3.99 0.59 0.00 2.72 5.12 -0.86 -0.90 116.66 127.33 1b75 n ARG 93 Ca -0.25 0.21 0.07 0.00 -1.93 0.00 0.00 57.85 55.96 1b75 n ARG 93 Cb 0.52 -1.43 0.44 0.00 -1.16 0.00 0.00 32.46 30.83 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70