#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b75 n PHE 2 N 0.00 2.13 -3.06 2.03 3.72 -1.21 -4.71 117.46 116.36 1b75 n PHE 2 Ca 0.00 -0.04 -0.45 0.00 -0.05 0.00 0.00 57.45 56.91 1b75 n PHE 2 Cb 0.00 -2.68 -0.02 0.00 -0.94 0.00 0.00 39.48 35.84 1b75 n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1b75 s THR 3 N 5.83 5.01 -0.33 4.37 2.01 -1.26 -0.78 115.64 130.48 1b75 s THR 3 Ca 0.97 -1.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 1b75 s THR 3 Cb -0.60 -4.67 0.01 0.00 0.01 0.00 0.00 72.50 67.25 1b75 s THR 3 CO 0.46 -1.34 1.24 -0.63 -0.69 0.00 0.00 174.62 173.65 1b75 s ILE 4 N 1.91 4.22 0.06 1.82 1.09 -0.08 -4.95 121.20 125.28 1b75 s ILE 4 Ca 0.27 1.36 -0.31 0.00 -1.10 0.00 0.00 60.65 60.88 1b75 s ILE 4 Cb -0.07 -4.27 -0.07 0.00 -1.06 0.00 0.00 42.46 36.99 1b75 s ILE 4 CO -0.08 -0.55 1.36 0.20 -0.10 0.00 0.00 174.94 175.77 1b75 s ASN 5 N 2.56 6.88 0.27 3.58 -0.87 -1.26 -1.09 114.94 125.01 1b75 s ASN 5 Ca 0.53 2.20 -0.12 0.00 -1.57 0.00 0.00 52.86 53.90 1b75 s ASN 5 Cb -0.14 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.51 1b75 s ASN 5 CO 0.23 -0.65 0.51 0.00 -2.57 0.00 0.00 177.10 174.62 1b75 s ALA 6 N 1.56 -0.15 0.02 0.60 0.00 -1.19 -4.52 121.76 118.08 1b75 s ALA 6 Ca 0.63 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1b75 s ALA 6 Cb -0.34 1.05 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1b75 s ALA 6 CO 0.29 -0.86 0.40 -2.00 0.00 0.00 0.00 175.76 173.58 1b75 s GLU 7 N -3.73 0.85 0.47 0.00 2.12 -1.04 -4.05 118.70 113.33 1b75 s GLU 7 Ca 0.23 -0.27 -0.22 0.00 0.36 0.00 0.00 54.97 55.07 1b75 s GLU 7 Cb -0.01 0.38 -0.09 0.00 0.26 0.00 0.00 34.13 34.66 1b75 s GLU 7 CO 0.11 -0.27 0.89 1.33 -0.54 0.00 0.00 175.26 176.77 1b75 n VAL 8 N 0.77 2.58 -2.19 3.70 0.24 -1.26 -1.14 118.33 121.02 1b75 n VAL 8 Ca -0.19 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.29 1b75 n VAL 8 Cb 0.58 -1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 31.89 1b75 n VAL 8 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1b75 s ARG 9 N -2.11 2.86 -0.12 7.34 3.52 -1.18 -4.54 118.95 124.72 1b75 s ARG 9 Ca 0.66 -0.88 -0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1b75 s ARG 9 Cb -0.52 -5.22 0.03 0.00 -1.56 0.00 0.00 34.95 27.68 1b75 s ARG 9 CO 0.55 -3.25 -0.04 0.15 -0.81 0.00 0.00 175.30 171.89 1b75 s LYS 10 N 6.21 1.23 0.00 5.12 -0.14 -1.26 -5.01 119.74 125.90 1b75 s LYS 10 Ca 0.64 -0.24 -0.19 0.00 -1.36 0.00 0.00 55.97 54.82 1b75 s LYS 10 Cb -0.03 -1.57 0.04 0.00 -1.68 0.00 0.00 37.83 34.59 1b75 s LYS 10 CO 0.03 -0.34 0.42 -1.21 -0.76 0.00 0.00 175.35 173.49 1b75 s GLU 11 N 1.77 0.84 0.00 1.68 0.41 -1.26 -5.01 118.70 117.12 1b75 s GLU 11 Ca 0.04 -0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.41 1b75 s GLU 11 Cb -0.13 0.38 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 1b75 s GLU 11 CO -0.07 -0.26 0.00 0.94 -0.49 0.00 0.00 175.26 175.37 1b75 n GLN 12 N 0.88 0.00 0.00 1.61 0.00 -1.26 -4.11 117.38 114.50 1b75 n GLN 12 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.80 1b75 n GLN 12 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 1b75 n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b75 n GLY 13 N 0.00 -1.47 3.72 1.69 0.00 -1.26 -5.06 105.19 102.81 1b75 n GLY 13 Ca 0.00 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 1b75 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b75 s LYS 14 N 0.00 4.53 0.00 1.61 1.02 -1.26 -4.20 119.74 121.44 1b75 s LYS 14 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.17 1b75 s LYS 14 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1b75 s LYS 14 CO 0.00 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1b75 n GLY 15 N 2.70 1.73 0.60 -3.33 0.00 -1.26 -4.92 105.19 100.71 1b75 n GLY 15 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1b75 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b75 n ALA 16 N 0.00 -1.44 -3.64 4.61 0.00 -1.26 -4.95 120.51 113.84 1b75 n ALA 16 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 1b75 n ALA 16 Cb 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 19.45 18.79 1b75 n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1b75 n SER 17 N -2.72 -1.44 -0.91 0.00 2.88 -1.26 -4.93 113.62 105.24 1b75 n SER 17 Ca -0.03 -0.78 0.01 0.00 -1.33 0.00 0.00 58.87 56.75 1b75 n SER 17 Cb 0.26 -4.30 0.21 0.00 -0.75 0.00 0.00 64.21 59.63 1b75 n SER 17 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1b75 n ARG 18 N -4.23 1.97 0.17 -1.46 5.12 -1.26 -4.65 116.66 112.33 1b75 n ARG 18 Ca -0.29 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.56 1b75 n ARG 18 Cb 0.68 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1b75 n ARG 18 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1b75 n ARG 19 N -1.03 0.00 -0.07 5.56 3.00 -1.26 -4.96 116.66 117.91 1b75 n ARG 19 Ca 0.27 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.27 1b75 n ARG 19 Cb 0.92 0.00 0.57 0.00 0.00 0.00 0.00 32.46 33.95 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 0.24 -2.00 6.15 8.10 -1.86 -2.55 115.31 123.39 1b75 h LEU 20 Ca 0.00 0.01 0.47 0.00 0.11 0.00 0.00 57.88 58.47 1b75 h LEU 20 Cb 0.00 -0.04 -0.07 0.00 -0.44 0.00 0.00 40.66 40.11 1b75 h LEU 20 CO 0.00 0.13 1.17 0.08 -4.11 0.00 0.00 178.44 175.72 1b75 h ARG 21 N 0.26 0.00 0.20 0.17 0.11 -1.83 -1.35 114.38 111.94 1b75 h ARG 21 Ca 0.28 -0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.37 1b75 h ARG 21 Cb 0.76 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.82 1b75 h ARG 21 CO -0.06 0.00 -0.23 0.00 0.10 0.00 0.00 179.97 179.78 1b75 h ALA 22 N 1.19 -0.44 0.00 0.08 0.00 -1.76 -3.47 119.26 114.85 1b75 h ALA 22 Ca 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1b75 h ALA 22 Cb 3.11 0.34 0.00 0.00 0.00 0.00 0.00 17.79 21.24 1b75 h ALA 22 CO -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.46 1b75 n ALA 23 N -2.51 0.00 -2.11 0.00 0.00 -0.51 -5.10 120.51 110.28 1b75 n ALA 23 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1b75 n ALA 23 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1b75 n ALA 23 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1b75 s ASN 24 N -2.00 5.60 0.26 0.00 0.01 -1.21 -4.54 114.94 113.07 1b75 s ASN 24 Ca 0.00 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 1b75 s ASN 24 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1b75 s ASN 24 CO 0.00 -2.08 0.00 0.29 -1.51 0.00 0.00 177.10 173.80 1b75 n LYS 25 N 8.90 -1.41 -3.60 -0.60 5.02 -1.26 -4.46 118.16 120.75 1b75 n LYS 25 Ca 0.19 1.15 -0.15 0.00 -2.02 0.00 0.00 58.31 57.48 1b75 n LYS 25 Cb 0.50 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1b75 n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1b75 s PHE 26 N -3.52 -0.46 0.40 2.13 -0.71 -0.88 -4.39 117.98 110.56 1b75 s PHE 26 Ca 0.00 0.67 -0.20 0.00 -1.04 0.00 0.00 56.93 56.36 1b75 s PHE 26 Cb 0.00 0.31 -0.11 0.00 -1.21 0.00 0.00 43.02 42.02 1b75 s PHE 26 CO 0.00 -0.57 0.91 -1.25 -1.34 0.00 0.00 175.22 172.97 1b75 s PRO 27 N -1.72 4.21 0.15 1.99 0.04 -1.26 -2.96 135.00 135.45 1b75 s PRO 27 Ca -0.09 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.97 1b75 s PRO 27 Cb -0.01 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1b75 s PRO 27 CO 0.04 0.02 0.13 0.00 0.04 0.00 0.00 177.00 177.23 1b75 s ALA 28 N -2.11 0.61 -0.02 8.56 0.00 -0.58 -4.42 121.76 123.80 1b75 s ALA 28 Ca 0.60 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1b75 s ALA 28 Cb -0.10 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1b75 s ALA 28 CO 0.14 -0.54 -0.11 0.42 0.00 0.00 0.00 175.76 175.67 1b75 s ILE 29 N -4.03 0.92 -0.18 0.00 1.01 -0.76 -1.08 121.20 117.08 1b75 s ILE 29 Ca 0.23 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1b75 s ILE 29 Cb 0.06 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1b75 s ILE 29 CO 0.02 0.27 0.13 -0.63 0.00 0.00 0.00 174.94 174.73 1b75 s ILE 30 N -0.09 5.40 0.47 2.92 1.01 -0.38 -1.30 121.20 129.23 1b75 s ILE 30 Ca 0.01 0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1b75 s ILE 30 Cb -0.06 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1b75 s ILE 30 CO 0.00 0.48 0.16 -0.31 0.00 0.00 0.00 174.94 175.28 1b75 s TYR 31 N 0.05 2.20 0.00 3.97 1.51 0.11 -2.06 117.35 123.13 1b75 s TYR 31 Ca 0.09 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1b75 s TYR 31 Cb -0.11 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1b75 s TYR 31 CO -0.01 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 1b75 n GLY 32 N -1.33 -2.21 0.00 0.71 0.00 -1.26 -1.73 105.19 99.37 1b75 n GLY 32 Ca -0.06 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.22 3.00 0.26 -0.02 0.00 -1.26 -4.91 105.19 101.05 1b75 n GLY 33 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.68 1b75 n GLY 33 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1b75 h LYS 34 N 0.00 0.26 -3.95 1.61 1.63 -2.02 -3.44 116.57 110.65 1b75 h LYS 34 Ca 0.00 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 1b75 h LYS 34 Cb 0.00 -0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 31.45 1b75 h LYS 34 CO 0.00 0.17 -0.32 -2.00 -3.45 0.00 0.00 179.45 173.85 1b75 s GLU 35 N -6.07 1.28 0.52 1.90 2.12 -1.26 -5.15 118.70 112.04 1b75 s GLU 35 Ca -0.13 -1.29 -0.21 0.00 0.36 0.00 0.00 54.97 53.70 1b75 s GLU 35 Cb 0.20 0.38 -0.08 0.00 0.26 0.00 0.00 34.13 34.90 1b75 s GLU 35 CO 0.75 -0.48 0.97 0.00 -0.54 0.00 0.00 175.26 175.96 1b75 n ALA 36 N -0.27 0.17 -1.36 6.30 0.00 -1.26 -4.65 120.51 119.43 1b75 n ALA 36 Ca -0.04 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 1b75 n ALA 36 Cb 0.63 -2.09 0.08 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.38 2.32 0.03 0.00 0.04 -1.26 -5.00 135.00 128.75 1b75 s PRO 37 Ca 0.69 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1b75 s PRO 37 Cb -0.48 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1b75 s PRO 37 CO 0.52 -1.65 -0.04 -0.48 0.04 0.00 0.00 177.00 175.40 1b75 s LEU 38 N -5.19 2.31 0.06 -3.56 -0.00 -0.88 -4.98 118.68 106.43 1b75 s LEU 38 Ca 0.70 -0.64 0.01 0.00 -0.00 0.00 0.00 54.13 54.20 1b75 s LEU 38 Cb -0.24 0.09 -0.04 0.00 -0.00 0.00 0.00 46.19 46.00 1b75 s LEU 38 CO 0.45 -0.36 0.17 0.00 -0.00 0.00 0.00 176.35 176.60 1b75 s ALA 39 N -2.08 3.86 0.09 1.48 0.00 -1.26 -1.25 121.76 122.60 1b75 s ALA 39 Ca -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1b75 s ALA 39 Cb -0.05 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1b75 s ALA 39 CO -0.03 0.79 0.07 0.96 0.00 0.00 0.00 175.76 177.55 1b75 s ILE 40 N -1.44 0.16 -0.04 0.00 -4.36 -0.24 -3.09 121.20 112.18 1b75 s ILE 40 Ca 0.32 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 1b75 s ILE 40 Cb -0.13 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 1b75 s ILE 40 CO 0.25 -0.75 -0.02 -1.61 0.24 0.00 0.00 174.94 173.05 1b75 s GLU 41 N -3.94 2.84 0.01 0.37 0.41 -0.30 -1.53 118.70 116.56 1b75 s GLU 41 Ca 0.11 -0.53 -0.16 0.00 -0.41 0.00 0.00 54.97 53.98 1b75 s GLU 41 Cb 0.07 -2.69 0.03 0.00 -1.78 0.00 0.00 34.13 29.75 1b75 s GLU 41 CO -0.07 0.66 0.34 -0.48 -0.49 0.00 0.00 175.26 175.22 1b75 s LEU 42 N -1.16 0.71 0.29 1.80 2.34 -1.15 -2.49 118.68 119.02 1b75 s LEU 42 Ca 0.16 0.02 -0.28 0.00 0.06 0.00 0.00 54.13 54.09 1b75 s LEU 42 Cb -0.11 1.43 -0.09 0.00 -0.56 0.00 0.00 46.19 46.85 1b75 s LEU 42 CO 0.05 -0.54 1.01 -1.81 -1.06 0.00 0.00 176.35 174.01 1b75 s ASP 43 N -1.64 7.32 -1.29 1.48 1.01 -1.26 -2.07 116.67 120.22 1b75 s ASP 43 Ca -0.10 2.04 -0.10 0.00 0.71 0.00 0.00 52.55 55.11 1b75 s ASP 43 Cb -0.03 -2.61 0.16 0.00 1.01 0.00 0.00 42.92 41.45 1b75 s ASP 43 CO 0.01 -0.08 1.90 1.57 0.21 0.00 0.00 175.17 178.78 1b75 n HIS 44 N 0.96 3.00 0.00 4.23 -0.00 -1.26 -4.33 115.22 117.82 1b75 n HIS 44 Ca 0.00 -2.81 0.00 0.00 -0.00 0.00 0.00 57.72 54.91 1b75 n HIS 44 Cb 0.47 -2.00 0.00 0.00 -0.00 0.00 0.00 29.99 28.46 1b75 n HIS 44 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1b75 n ASP 45 N 4.06 0.00 -0.27 0.26 2.03 -1.26 -4.85 116.55 116.52 1b75 n ASP 45 Ca 0.41 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.72 1b75 n ASP 45 Cb 0.37 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.90 1b75 n ASP 45 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1b75 h LYS 46 N 0.00 0.77 -0.64 -0.67 1.57 -2.02 -2.38 116.57 113.20 1b75 h LYS 46 Ca 0.00 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1b75 h LYS 46 Cb 0.00 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.04 1b75 h LYS 46 CO 0.00 0.51 0.15 -0.39 -0.57 0.00 0.00 179.45 179.15 1b75 h VAL 47 N 0.80 0.61 -0.35 0.50 -1.51 -1.94 -2.86 116.25 111.49 1b75 h VAL 47 Ca 0.35 -0.09 0.07 0.00 -1.23 0.00 0.00 66.70 65.80 1b75 h VAL 47 Cb 0.24 0.31 -0.07 0.00 -2.13 0.00 0.00 31.29 29.64 1b75 h VAL 47 CO -0.20 0.05 -0.14 0.24 -1.23 0.00 0.00 177.57 176.29 1b75 h MET 48 N 0.27 -0.07 -0.16 5.19 2.86 -1.75 0.06 114.93 121.33 1b75 h MET 48 Ca 0.34 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1b75 h MET 48 Cb 0.53 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1b75 h MET 48 CO -0.43 -0.05 0.09 -0.97 1.06 0.00 0.00 176.91 176.62 1b75 h ASN 49 N -0.07 0.20 -0.85 1.22 -1.24 -1.64 -3.10 115.58 110.09 1b75 h ASN 49 Ca 0.17 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1b75 h ASN 49 Cb 0.34 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1b75 h ASN 49 CO -0.40 0.21 0.51 0.24 -1.29 0.00 0.00 177.43 176.70 1b75 h MET 50 N 0.17 1.16 0.45 6.67 2.86 -1.04 -3.30 114.93 121.90 1b75 h MET 50 Ca 0.06 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1b75 h MET 50 Cb 0.05 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1b75 h MET 50 CO -0.01 0.81 -0.22 1.96 1.06 0.00 0.00 176.91 180.51 1b75 h GLN 51 N 1.17 -0.58 -6.38 1.72 4.20 -0.96 -3.44 115.11 110.84 1b75 h GLN 51 Ca 0.31 0.04 -0.48 0.00 0.06 0.00 0.00 58.65 58.58 1b75 h GLN 51 Cb -0.05 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1b75 h GLN 51 CO -0.06 -0.39 -0.84 0.00 -0.67 0.00 0.00 178.83 176.87 1b75 n ALA 52 N -2.51 -1.80 -0.90 3.87 0.00 -1.20 -2.66 120.51 115.32 1b75 n ALA 52 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1b75 n ALA 52 Cb 0.24 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 -4.41 0.00 0.20 0.00 4.81 -1.26 -3.05 118.16 114.45 1b75 n LYS 53 Ca -0.20 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.31 1b75 n LYS 53 Cb 0.63 0.00 0.42 0.00 0.02 0.00 0.00 35.03 36.10 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 -0.90 1.11 -0.01 3.14 0.00 -2.01 -2.51 119.26 118.08 1b75 h ALA 54 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1b75 h ALA 54 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1b75 h ALA 54 CO 0.00 0.40 0.01 0.93 0.00 0.00 0.00 179.25 180.59 1b75 h GLU 55 N 0.00 0.00 -1.99 0.00 3.07 -1.67 -3.17 114.58 110.81 1b75 h GLU 55 Ca -0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 1b75 h GLU 55 Cb 0.74 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.60 1b75 h GLU 55 CO 0.04 0.00 -0.24 0.34 -1.40 0.00 0.00 179.01 177.76 1b75 n PHE 56 N -3.76 0.08 0.12 4.33 7.35 -0.95 -3.15 117.46 121.49 1b75 n PHE 56 Ca -0.03 -1.38 0.00 0.00 -0.76 0.00 0.00 57.45 55.29 1b75 n PHE 56 Cb 0.10 -1.26 0.00 0.00 0.35 0.00 0.00 39.48 38.67 1b75 n PHE 56 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1b75 n TYR 57 N 2.11 -2.53 -0.05 -5.13 4.01 -1.20 -4.73 117.16 109.65 1b75 n TYR 57 Ca 0.30 0.58 -0.13 0.00 -0.16 0.00 0.00 57.90 58.50 1b75 n TYR 57 Cb 0.78 1.36 -0.08 0.00 -0.31 0.00 0.00 39.34 41.09 1b75 n TYR 57 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1b75 h SER 58 N 0.00 0.33 0.65 7.72 0.87 -1.74 -3.25 113.55 118.12 1b75 h SER 58 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1b75 h SER 58 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1b75 h SER 58 CO 0.00 0.76 0.00 -0.62 -0.53 0.00 0.00 176.83 176.44 1b75 n GLU 59 N -4.58 0.07 -0.49 2.24 1.02 -1.19 -4.99 120.64 112.72 1b75 n GLU 59 Ca -0.07 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1b75 n GLU 59 Cb 0.36 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1b75 n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1b75 n VAL 60 N -1.76 -1.92 -4.13 2.62 0.31 -1.23 -4.41 118.33 107.81 1b75 n VAL 60 Ca 0.03 0.66 -0.09 0.00 -0.01 0.00 0.00 64.34 64.93 1b75 n VAL 60 Cb 0.21 -0.95 -0.10 0.00 -0.91 0.00 0.00 33.84 32.09 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 -2.83 2.49 -0.08 7.52 2.34 -1.18 -1.53 118.68 125.41 1b75 s LEU 61 Ca 0.00 -0.98 -0.05 0.00 0.06 0.00 0.00 54.13 53.15 1b75 s LEU 61 Cb 0.00 0.03 0.03 0.00 -0.56 0.00 0.00 46.19 45.69 1b75 s LEU 61 CO 0.00 -0.51 0.20 -0.89 -1.06 0.00 0.00 176.35 174.09 1b75 s THR 62 N -3.64 -0.02 -0.17 5.48 2.01 0.04 -1.12 115.64 118.22 1b75 s THR 62 Ca 0.09 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1b75 s THR 62 Cb 0.06 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1b75 s THR 62 CO -0.06 0.03 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.22 1b75 s ILE 63 N 0.68 3.69 -1.13 1.82 1.01 -0.43 -0.90 121.20 125.96 1b75 s ILE 63 Ca -0.05 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1b75 s ILE 63 Cb -0.06 -2.63 0.09 0.00 0.01 0.00 0.00 42.46 39.87 1b75 s ILE 63 CO -0.04 0.48 1.49 -0.69 0.00 0.00 0.00 174.94 176.18 1b75 s VAL 64 N 0.64 4.27 -1.17 2.92 1.01 -0.25 -0.86 120.40 126.96 1b75 s VAL 64 Ca -0.03 -1.54 -0.18 0.00 0.00 0.00 0.00 61.98 60.23 1b75 s VAL 64 Cb -0.15 -5.04 0.11 0.00 0.00 0.00 0.00 36.38 31.30 1b75 s VAL 64 CO 0.02 -1.86 1.51 -0.69 0.00 0.00 0.00 175.10 174.09 1b75 s VAL 65 N 3.88 4.45 -1.12 2.92 1.01 -0.23 -3.20 120.40 128.11 1b75 s VAL 65 Ca 0.46 -1.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 1b75 s VAL 65 Cb 0.00 -5.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1b75 s VAL 65 CO -0.03 -1.82 0.86 0.47 0.00 0.00 0.00 175.10 174.59 1b75 n ASP 66 N 7.37 -5.20 -2.27 3.32 9.92 -1.26 -2.88 116.55 125.57 1b75 n ASP 66 Ca 0.39 -0.81 -0.14 0.00 -0.53 0.00 0.00 54.79 53.70 1b75 n ASP 66 Cb 0.46 -4.49 0.04 0.00 -0.64 0.00 0.00 41.12 36.50 1b75 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b75 n GLY 67 N -1.41 0.08 2.65 0.44 0.00 -1.26 -5.04 105.19 100.65 1b75 n GLY 67 Ca -0.12 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.73 0.06 -1.07 1.61 1.02 -1.14 -5.09 119.74 109.40 1b75 s LYS 68 Ca 0.33 0.09 -0.22 0.00 0.02 0.00 0.00 55.97 56.19 1b75 s LYS 68 Cb -0.15 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1b75 s LYS 68 CO 0.41 -0.52 1.70 -1.21 -0.92 0.00 0.00 175.35 174.82 1b75 s GLU 69 N 2.13 3.26 -0.75 1.68 2.02 -1.26 -1.07 118.70 124.71 1b75 s GLU 69 Ca 0.03 -1.10 -0.26 0.00 0.02 0.00 0.00 54.97 53.67 1b75 s GLU 69 Cb -0.14 -5.31 0.04 0.00 0.10 0.00 0.00 34.13 28.82 1b75 s GLU 69 CO -0.06 -2.76 1.23 0.42 0.02 0.00 0.00 175.26 174.10 1b75 s ILE 70 N 6.96 3.88 0.22 -1.63 -1.09 -0.04 -4.87 121.20 124.62 1b75 s ILE 70 Ca 0.57 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.80 1b75 s ILE 70 Cb -0.01 -4.88 -0.10 0.00 -1.58 0.00 0.00 42.46 35.89 1b75 s ILE 70 CO -0.01 -1.78 1.43 -0.54 -1.23 0.00 0.00 174.94 172.81 1b75 s LYS 71 N 5.27 4.29 0.23 2.79 3.01 -1.26 -1.31 119.74 132.76 1b75 s LYS 71 Ca 0.33 2.24 0.00 0.00 -1.01 0.00 0.00 55.97 57.54 1b75 s LYS 71 Cb -0.09 -3.14 -0.04 0.00 -1.01 0.00 0.00 37.83 33.54 1b75 s LYS 71 CO 0.11 -0.41 0.12 0.14 0.51 0.00 0.00 175.35 175.82 1b75 s VAL 72 N 0.23 0.24 0.00 3.17 -7.23 -0.28 -1.30 120.40 115.24 1b75 s VAL 72 Ca 0.60 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1b75 s VAL 72 Cb -0.41 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1b75 s VAL 72 CO 0.40 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.48 1b75 n LYS 73 N -0.36 0.00 -0.38 4.82 4.76 -0.32 -3.10 118.16 123.58 1b75 n LYS 73 Ca 0.01 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1b75 n LYS 73 Cb 0.66 -0.77 -0.01 0.00 -1.84 0.00 0.00 35.03 33.06 1b75 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b75 n ALA 74 N -2.20 -0.93 -1.02 7.82 0.00 -1.23 -4.27 120.51 118.68 1b75 n ALA 74 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1b75 n ALA 74 Cb 0.32 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.27 0.00 -2.52 0.00 1.13 -0.96 -4.75 117.38 108.02 1b75 n GLN 75 Ca -0.01 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.61 1b75 n GLN 75 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.51 1b75 n GLN 75 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1b75 n ASP 76 N -0.97 4.92 -4.55 1.08 9.92 -1.24 -4.93 116.55 120.78 1b75 n ASP 76 Ca 0.00 -2.98 -0.41 0.00 -0.53 0.00 0.00 54.79 50.87 1b75 n ASP 76 Cb 0.00 -1.60 -0.03 0.00 -0.64 0.00 0.00 41.12 38.85 1b75 n ASP 76 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1b75 s VAL 77 N 2.03 3.69 -1.44 2.53 1.01 -1.26 -2.71 120.40 124.25 1b75 s VAL 77 Ca 0.45 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 1b75 s VAL 77 Cb 0.05 -4.83 0.05 0.00 0.00 0.00 0.00 36.38 31.65 1b75 s VAL 77 CO 0.01 -1.77 2.49 0.00 0.00 0.00 0.00 175.10 175.83 1b75 n GLN 78 N 9.35 3.97 -3.53 2.72 1.13 -1.03 -4.91 117.38 125.08 1b75 n GLN 78 Ca 0.05 -2.95 -0.38 0.00 -1.94 0.00 0.00 57.00 51.78 1b75 n GLN 78 Cb 0.49 -2.80 -0.10 0.00 0.11 0.00 0.00 30.24 27.94 1b75 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1b75 s ARG 79 N 0.67 3.95 -0.33 -1.09 3.00 -1.26 -2.76 118.95 121.13 1b75 s ARG 79 Ca 0.57 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.73 54.79 1b75 s ARG 79 Cb 0.17 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.45 1b75 s ARG 79 CO -0.07 -0.22 1.35 -1.58 0.00 0.00 0.00 175.30 174.78 1b75 s HIS 80 N 1.86 2.57 0.04 5.12 5.65 -1.06 -4.94 115.29 124.52 1b75 s HIS 80 Ca 0.09 0.79 -0.26 0.00 0.25 0.00 0.00 55.06 55.94 1b75 s HIS 80 Cb -0.16 -4.05 -0.17 0.00 -1.18 0.00 0.00 32.58 27.02 1b75 s HIS 80 CO 0.11 -1.86 1.49 -1.00 -0.65 0.00 0.00 174.74 172.83 1b75 h PRO 81 N 9.81 -0.24 -6.35 2.88 0.13 -1.97 -3.39 132.00 132.87 1b75 h PRO 81 Ca -0.27 0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.33 1b75 h PRO 81 Cb 1.10 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1b75 h PRO 81 CO 1.05 -0.01 1.15 0.71 -0.23 0.00 0.00 178.00 180.67 1b75 s TYR 82 N -5.35 2.16 0.18 1.56 2.02 -1.26 -4.72 117.35 111.93 1b75 s TYR 82 Ca -0.15 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1b75 s TYR 82 Cb 0.04 -4.31 0.00 0.00 -0.40 0.00 0.00 41.96 37.28 1b75 s TYR 82 CO 0.62 -2.13 0.00 1.63 -1.57 0.00 0.00 175.55 174.10 1b75 n LYS 83 N 8.65 -1.46 -2.20 -0.62 5.02 -1.26 -4.85 118.16 121.44 1b75 n LYS 83 Ca 0.15 1.10 -0.43 0.00 -2.02 0.00 0.00 58.31 57.11 1b75 n LYS 83 Cb 0.49 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1b75 n LYS 83 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b75 s PRO 84 N -5.00 3.70 -0.30 1.97 0.04 -1.26 -4.69 135.00 129.46 1b75 s PRO 84 Ca 0.00 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.48 1b75 s PRO 84 Cb 0.00 -4.03 0.18 0.00 0.04 0.00 0.00 34.50 30.69 1b75 s PRO 84 CO 0.00 -1.41 0.49 0.21 0.04 0.00 0.00 177.00 176.33 1b75 s LYS 85 N 4.79 0.50 -0.62 4.56 2.47 -1.26 -5.06 119.74 125.12 1b75 s LYS 85 Ca 0.68 0.21 -0.20 0.00 -1.56 0.00 0.00 55.97 55.09 1b75 s LYS 85 Cb -0.21 -0.10 0.09 0.00 -1.46 0.00 0.00 37.83 36.16 1b75 s LYS 85 CO 0.29 -1.06 0.81 -1.17 0.16 0.00 0.00 175.35 174.39 1b75 s LEU 86 N 2.55 4.99 -0.05 5.43 2.96 -1.26 -2.58 118.68 130.72 1b75 s LEU 86 Ca 0.11 -1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 52.50 1b75 s LEU 86 Cb -0.11 -2.35 -0.20 0.00 0.50 0.00 0.00 46.19 44.03 1b75 s LEU 86 CO -0.26 -1.25 1.07 1.56 -1.32 0.00 0.00 176.35 176.16 1b75 h GLN 87 N 9.33 -0.07 -2.82 1.98 1.08 -1.92 -3.48 115.11 119.22 1b75 h GLN 87 Ca -0.29 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1b75 h GLN 87 Cb 1.08 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.40 1b75 h GLN 87 CO 1.13 0.49 0.28 -1.58 -0.95 0.00 0.00 178.83 178.20 1b75 s HIS 88 N -3.69 -0.46 -0.06 2.96 2.46 -1.25 -4.77 115.29 110.48 1b75 s HIS 88 Ca -0.15 0.24 -0.00 0.00 0.47 0.00 0.00 55.06 55.62 1b75 s HIS 88 Cb 0.01 0.57 0.03 0.00 -0.13 0.00 0.00 32.58 33.05 1b75 s HIS 88 CO 0.62 -0.81 -0.02 0.42 -2.47 0.00 0.00 174.74 172.48 1b75 s ILE 89 N -3.61 0.49 -1.02 0.89 -1.09 -1.26 -2.47 121.20 113.14 1b75 s ILE 89 Ca 0.03 -0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.31 1b75 s ILE 89 Cb -0.01 -0.58 0.23 0.00 -1.58 0.00 0.00 42.46 40.52 1b75 s ILE 89 CO -0.10 0.25 1.05 -1.81 -1.23 0.00 0.00 174.94 173.10 1b75 s ASP 90 N 1.48 7.05 0.55 3.58 1.11 -1.10 -1.83 116.67 127.52 1b75 s ASP 90 Ca -0.02 -3.09 -0.19 0.00 0.18 0.00 0.00 52.55 49.43 1b75 s ASP 90 Cb -0.13 -2.25 -0.06 0.00 1.07 0.00 0.00 42.92 41.55 1b75 s ASP 90 CO -0.03 -0.51 1.11 -0.36 1.18 0.00 0.00 175.17 176.56 1b75 s PHE 91 N -0.09 2.72 -0.04 4.23 0.08 -0.42 -2.26 117.98 122.20 1b75 s PHE 91 Ca 0.28 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.91 1b75 s PHE 91 Cb -0.09 -3.23 0.01 0.00 -0.57 0.00 0.00 43.02 39.14 1b75 s PHE 91 CO -0.07 -1.46 -0.11 0.54 -0.10 0.00 0.00 175.22 174.01 1b75 s VAL 92 N -1.89 1.01 0.23 -0.44 0.11 -1.26 -0.71 120.40 117.44 1b75 s VAL 92 Ca 0.71 -0.45 -0.31 0.00 -2.93 0.00 0.00 61.98 59.00 1b75 s VAL 92 Cb -0.22 -0.91 -0.11 0.00 -1.53 0.00 0.00 36.38 33.61 1b75 s VAL 92 CO 0.28 0.31 1.65 -0.13 -3.33 0.00 0.00 175.10 173.88 1b75 s ARG 93 N 0.40 4.14 0.00 1.54 0.52 -0.71 -1.17 118.95 123.68 1b75 s ARG 93 Ca -0.08 2.55 0.16 0.00 -0.52 0.00 0.00 55.73 57.83 1b75 s ARG 93 Cb -0.12 -3.07 0.93 0.00 0.52 0.00 0.00 34.95 33.21 1b75 s ARG 93 CO 0.02 -0.68 1.34 0.00 0.02 0.00 0.00 175.30 176.01