#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 1.96 -0.95 2.03 0.40 -1.25 -4.72 117.98 115.44 1b75 s PHE 2 Ca 0.00 -0.08 -0.21 0.00 -0.60 0.00 0.00 56.93 56.04 1b75 s PHE 2 Cb 0.00 -4.16 0.10 0.00 0.51 0.00 0.00 43.02 39.47 1b75 s PHE 2 CO 0.00 -4.88 1.25 0.99 0.70 0.00 0.00 175.22 173.28 1b75 s THR 3 N 3.21 4.39 -0.89 0.64 2.01 -1.26 -1.17 115.64 122.57 1b75 s THR 3 Ca 0.82 -1.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.41 1b75 s THR 3 Cb -0.44 -4.89 0.08 0.00 0.01 0.00 0.00 72.50 67.27 1b75 s THR 3 CO 0.37 -1.68 1.22 -0.63 -0.69 0.00 0.00 174.62 173.21 1b75 s ILE 4 N 3.67 4.29 0.09 1.82 -1.09 -0.27 -4.92 121.20 124.79 1b75 s ILE 4 Ca 0.38 -0.89 -0.31 0.00 -2.23 0.00 0.00 60.65 57.60 1b75 s ILE 4 Cb -0.03 -4.87 -0.08 0.00 -1.58 0.00 0.00 42.46 35.89 1b75 s ILE 4 CO -0.09 -1.68 1.58 0.20 -1.23 0.00 0.00 174.94 173.72 1b75 s ASN 5 N 4.09 6.65 0.17 3.58 -0.87 -1.26 -1.22 114.94 126.09 1b75 s ASN 5 Ca 0.35 2.47 -0.09 0.00 -1.57 0.00 0.00 52.86 54.02 1b75 s ASN 5 Cb -0.06 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.59 1b75 s ASN 5 CO -0.04 -0.83 0.30 0.00 -2.57 0.00 0.00 177.10 173.96 1b75 s ALA 6 N 2.06 0.02 0.28 0.60 0.00 -0.29 -4.80 121.76 119.63 1b75 s ALA 6 Ca 0.71 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.84 1b75 s ALA 6 Cb -0.40 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1b75 s ALA 6 CO 0.31 -0.67 -0.10 -1.21 0.00 0.00 0.00 175.76 174.10 1b75 s GLU 7 N -3.98 1.59 -0.84 0.00 0.41 -1.22 -1.69 118.70 112.98 1b75 s GLU 7 Ca 0.19 -1.79 -0.08 0.00 -0.41 0.00 0.00 54.97 52.88 1b75 s GLU 7 Cb 0.03 -1.34 -0.17 0.00 -1.78 0.00 0.00 34.13 30.88 1b75 s GLU 7 CO 0.01 0.11 3.18 1.33 -0.49 0.00 0.00 175.26 179.41 1b75 n VAL 8 N -0.60 3.57 -3.69 2.63 0.24 -1.26 -2.71 118.33 116.51 1b75 n VAL 8 Ca -0.06 -2.00 -0.22 0.00 -2.04 0.00 0.00 64.34 60.03 1b75 n VAL 8 Cb 0.63 -2.30 0.04 0.00 -1.47 0.00 0.00 33.84 30.73 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 3.11 -5.20 0.12 7.34 0.00 -1.26 -4.92 116.66 115.86 1b75 n ARG 9 Ca 0.60 0.65 -0.02 0.00 -0.00 0.00 0.00 57.85 59.07 1b75 n ARG 9 Cb 0.53 -5.29 0.13 0.00 0.00 0.00 0.00 32.46 27.83 1b75 n ARG 9 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1b75 h LYS 10 N -1.90 0.03 0.00 -0.14 2.10 -1.86 -3.43 116.57 111.36 1b75 h LYS 10 Ca -0.61 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.02 1b75 h LYS 10 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1b75 h LYS 10 CO 0.56 0.68 0.00 0.39 -2.00 0.00 0.00 179.45 179.09 1b75 n GLU 11 N -3.75 0.00 -2.96 0.07 1.02 -1.26 -0.95 120.64 112.80 1b75 n GLU 11 Ca -0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.97 1b75 n GLU 11 Cb 0.66 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1b75 n GLU 11 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1b75 n GLN 12 N 0.00 0.79 0.00 3.49 7.27 -1.26 -4.91 117.38 122.76 1b75 n GLN 12 Ca 0.00 -2.49 0.00 0.00 0.07 0.00 0.00 57.00 54.58 1b75 n GLN 12 Cb 0.00 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.30 1b75 n GLN 12 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b75 n GLY 13 N 1.31 2.23 2.82 1.69 0.00 -1.12 -4.49 105.19 107.62 1b75 n GLY 13 Ca 0.15 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1b75 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b75 n LYS 14 N 0.00 3.16 -3.69 1.61 4.81 -1.22 -4.76 118.16 118.06 1b75 n LYS 14 Ca 0.00 -4.72 -0.24 0.00 -0.87 0.00 0.00 58.31 52.48 1b75 n LYS 14 Cb 0.00 -2.21 0.06 0.00 0.02 0.00 0.00 35.03 32.90 1b75 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b75 n GLY 15 N -0.27 -0.45 3.44 3.14 0.00 -0.12 -4.92 105.19 106.01 1b75 n GLY 15 Ca 0.32 0.19 -0.44 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.39 3.81 -0.14 4.61 0.00 -1.26 -4.91 121.76 120.48 1b75 s ALA 16 Ca 0.40 -3.16 -0.06 0.00 0.00 0.00 0.00 51.96 49.14 1b75 s ALA 16 Cb -0.19 -4.01 -0.23 0.00 0.00 0.00 0.00 23.12 18.68 1b75 s ALA 16 CO 0.78 -2.78 3.52 0.45 0.00 0.00 0.00 175.76 177.73 1b75 n SER 17 N 5.67 5.56 -2.67 0.00 2.88 -1.26 -4.29 113.62 119.51 1b75 n SER 17 Ca 0.29 -2.54 -0.09 0.00 -1.33 0.00 0.00 58.87 55.20 1b75 n SER 17 Cb 0.45 -1.41 0.03 0.00 -0.75 0.00 0.00 64.21 62.53 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 2.44 1.38 0.02 -1.46 3.00 -1.26 -4.88 116.66 115.90 1b75 n ARG 18 Ca 0.46 -3.37 0.00 0.00 -0.01 0.00 0.00 57.85 54.93 1b75 n ARG 18 Cb 0.85 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.95 1b75 n ARG 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1b75 n ARG 19 N -0.17 0.00 0.27 5.56 3.00 -1.26 -4.97 116.66 119.08 1b75 n ARG 19 Ca 0.11 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 58.13 1b75 n ARG 19 Cb 0.81 0.00 0.79 0.00 0.00 0.00 0.00 32.46 34.06 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 0.00 -5.93 6.15 8.10 -1.86 -3.36 115.31 118.41 1b75 h LEU 20 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 57.88 57.36 1b75 h LEU 20 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.23 1b75 h LEU 20 CO 0.00 0.00 2.88 0.54 -4.11 0.00 0.00 178.44 177.75 1b75 n ARG 21 N -2.93 2.39 0.13 0.17 1.74 -1.26 -3.38 116.66 113.52 1b75 n ARG 21 Ca -0.00 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 1b75 n ARG 21 Cb 0.22 -2.96 0.00 0.00 -1.02 0.00 0.00 32.46 28.70 1b75 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b75 n ALA 22 N 5.90 0.00 0.00 7.54 0.00 -1.26 -5.06 120.51 127.64 1b75 n ALA 22 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1b75 n ALA 22 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -3.06 0.00 -1.94 0.00 0.00 -1.22 -5.08 120.51 109.22 1b75 n ALA 23 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1b75 n ALA 23 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.45 4.88 0.31 0.00 0.01 -1.26 -4.59 114.94 112.83 1b75 s ASN 24 Ca 0.00 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1b75 s ASN 24 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1b75 s ASN 24 CO 0.00 -2.96 0.00 0.29 -1.51 0.00 0.00 177.10 172.92 1b75 n LYS 25 N 8.87 -1.72 -3.56 -0.60 4.01 -1.26 -4.29 118.16 119.60 1b75 n LYS 25 Ca 0.40 1.37 -0.16 0.00 -0.51 0.00 0.00 58.31 59.42 1b75 n LYS 25 Cb 0.47 -2.03 -0.06 0.00 -0.51 0.00 0.00 35.03 32.90 1b75 n LYS 25 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1b75 s PHE 26 N -3.35 -0.52 0.28 2.13 -0.12 -0.24 -4.69 117.98 111.47 1b75 s PHE 26 Ca 0.00 0.76 -0.29 0.00 -0.05 0.00 0.00 56.93 57.35 1b75 s PHE 26 Cb 0.00 0.36 -0.09 0.00 -0.63 0.00 0.00 43.02 42.66 1b75 s PHE 26 CO 0.00 -0.61 1.01 -1.25 -0.05 0.00 0.00 175.22 174.32 1b75 s PRO 27 N -1.76 4.70 0.18 1.99 0.04 -1.26 -1.77 135.00 137.11 1b75 s PRO 27 Ca -0.09 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1b75 s PRO 27 Cb -0.01 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1b75 s PRO 27 CO 0.04 0.33 -0.13 0.00 0.04 0.00 0.00 177.00 177.29 1b75 s ALA 28 N -1.26 1.78 -0.00 8.56 0.00 -0.37 -4.49 121.76 125.98 1b75 s ALA 28 Ca 0.45 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.86 1b75 s ALA 28 Cb -0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1b75 s ALA 28 CO 0.34 -0.00 -0.16 0.42 0.00 0.00 0.00 175.76 176.36 1b75 s ILE 29 N -3.12 1.26 -0.24 0.00 1.01 -0.38 -0.93 121.20 118.80 1b75 s ILE 29 Ca 0.20 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1b75 s ILE 29 Cb 0.01 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1b75 s ILE 29 CO 0.04 0.29 0.05 -0.63 0.00 0.00 0.00 174.94 174.70 1b75 s ILE 30 N -0.47 4.23 0.34 2.92 1.01 -0.32 -0.71 121.20 128.20 1b75 s ILE 30 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1b75 s ILE 30 Cb -0.06 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1b75 s ILE 30 CO -0.00 0.36 0.50 -0.31 0.00 0.00 0.00 174.94 175.49 1b75 s TYR 31 N 1.45 3.23 -0.28 3.97 1.51 -0.08 -2.25 117.35 124.91 1b75 s TYR 31 Ca 0.05 -0.04 -0.29 0.00 -1.01 0.00 0.00 57.07 55.79 1b75 s TYR 31 Cb -0.15 -1.98 0.19 0.00 -0.11 0.00 0.00 41.96 39.91 1b75 s TYR 31 CO 0.03 0.01 1.33 0.20 -1.11 0.00 0.00 175.55 176.01 1b75 s GLY 32 N -4.14 0.09 -1.35 0.71 0.00 -1.26 -1.83 107.32 99.54 1b75 s GLY 32 Ca 0.43 2.84 -0.15 0.00 0.00 0.00 0.00 44.72 47.84 1b75 s GLY 32 CO 0.33 1.20 2.24 0.61 0.00 0.00 0.00 173.10 177.47 1b75 n GLY 33 N 0.66 4.08 1.98 0.20 0.00 -1.26 -3.49 105.19 107.37 1b75 n GLY 33 Ca -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 6.01 0.00 -4.05 1.61 4.81 -1.26 -5.17 118.16 120.11 1b75 n LYS 34 Ca 0.54 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.86 1b75 n LYS 34 Cb 0.37 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.37 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 -2.00 1.63 0.58 1.64 2.12 -1.23 -5.15 118.70 116.29 1b75 s GLU 35 Ca 0.00 -1.48 -0.20 0.00 0.36 0.00 0.00 54.97 53.65 1b75 s GLU 35 Cb 0.00 0.44 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1b75 s GLU 35 CO 0.00 -0.66 1.29 0.00 -0.54 0.00 0.00 175.26 175.35 1b75 s ALA 36 N -3.69 2.63 0.54 6.30 0.00 -1.26 -4.46 121.76 121.82 1b75 s ALA 36 Ca 0.27 1.20 -0.21 0.00 0.00 0.00 0.00 51.96 53.23 1b75 s ALA 36 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1b75 s ALA 36 CO 0.13 -1.35 1.21 -1.25 0.00 0.00 0.00 175.76 174.50 1b75 s PRO 37 N -3.13 3.29 0.07 0.00 0.04 -1.26 -4.92 135.00 129.10 1b75 s PRO 37 Ca 0.76 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.69 1b75 s PRO 37 Cb -0.37 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1b75 s PRO 37 CO 0.41 -0.96 -0.10 -0.48 0.04 0.00 0.00 177.00 175.92 1b75 s LEU 38 N -3.61 2.34 0.16 -3.56 -0.00 -0.96 -4.98 118.68 108.07 1b75 s LEU 38 Ca 0.72 -0.71 0.04 0.00 -0.00 0.00 0.00 54.13 54.18 1b75 s LEU 38 Cb -0.31 -0.28 -0.04 0.00 -0.00 0.00 0.00 46.19 45.57 1b75 s LEU 38 CO 0.35 -0.23 0.19 0.00 -0.00 0.00 0.00 176.35 176.67 1b75 s ALA 39 N -1.98 3.72 0.08 1.48 0.00 -1.26 -1.18 121.76 122.61 1b75 s ALA 39 Ca -0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1b75 s ALA 39 Cb -0.06 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.55 1b75 s ALA 39 CO 0.00 0.52 0.26 0.96 0.00 0.00 0.00 175.76 177.50 1b75 s ILE 40 N -1.74 0.11 -0.04 0.00 -4.36 -0.11 -4.13 121.20 110.93 1b75 s ILE 40 Ca 0.32 -0.91 -0.24 0.00 -0.26 0.00 0.00 60.65 59.57 1b75 s ILE 40 Cb -0.10 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 1b75 s ILE 40 CO 0.25 -0.50 0.71 -1.61 0.24 0.00 0.00 174.94 174.03 1b75 s GLU 41 N -3.33 4.44 -0.04 0.37 0.41 -1.10 -1.24 118.70 118.22 1b75 s GLU 41 Ca 0.01 0.92 0.07 0.00 -0.41 0.00 0.00 54.97 55.55 1b75 s GLU 41 Cb 0.02 -3.43 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1b75 s GLU 41 CO -0.08 0.12 -0.25 -0.51 -0.49 0.00 0.00 175.26 174.05 1b75 s LEU 42 N 0.60 2.11 1.15 1.80 1.02 -0.73 -3.40 118.68 121.23 1b75 s LEU 42 Ca 0.38 -0.47 -0.18 0.00 0.02 0.00 0.00 54.13 53.88 1b75 s LEU 42 Cb -0.18 -1.37 0.26 0.00 0.02 0.00 0.00 46.19 44.92 1b75 s LEU 42 CO 0.19 0.29 1.11 -1.81 0.02 0.00 0.00 176.35 176.15 1b75 s ASP 43 N -0.42 1.34 -0.54 2.29 1.01 -1.26 -1.08 116.67 118.01 1b75 s ASP 43 Ca 0.04 0.73 0.06 0.00 0.71 0.00 0.00 52.55 54.09 1b75 s ASP 43 Cb -0.12 -1.05 0.32 0.00 1.01 0.00 0.00 42.92 43.09 1b75 s ASP 43 CO 0.01 -3.87 0.86 1.57 0.21 0.00 0.00 175.17 173.95 1b75 n HIS 44 N -4.61 3.15 0.00 4.23 -0.00 -1.26 -4.65 115.22 112.08 1b75 n HIS 44 Ca 0.11 -3.97 0.00 0.00 -0.00 0.00 0.00 57.72 53.86 1b75 n HIS 44 Cb 0.59 -0.48 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 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 0.08 0.00 -0.24 0.26 2.03 -1.26 -4.89 116.55 112.53 1b75 n ASP 45 Ca 0.29 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.60 1b75 n ASP 45 Cb 0.45 0.38 0.11 0.00 -0.72 0.00 0.00 41.12 41.34 1b75 n ASP 45 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1b75 h LYS 46 N 0.00 0.66 -0.08 -0.67 2.10 -2.01 -1.78 116.57 114.78 1b75 h LYS 46 Ca 0.00 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 1b75 h LYS 46 Cb 0.00 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.17 1b75 h LYS 46 CO 0.00 0.44 -0.36 -0.39 -2.00 0.00 0.00 179.45 177.14 1b75 h VAL 47 N 0.68 1.28 -0.15 0.07 -1.51 -1.93 -2.27 116.25 112.41 1b75 h VAL 47 Ca 0.32 -1.34 -0.01 0.00 -1.23 0.00 0.00 66.70 64.44 1b75 h VAL 47 Cb 0.24 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1b75 h VAL 47 CO -0.21 0.40 0.07 -0.03 -1.23 0.00 0.00 177.57 176.57 1b75 h MET 48 N 0.15 0.22 -0.12 5.19 1.85 -1.66 0.02 114.93 120.57 1b75 h MET 48 Ca 0.02 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1b75 h MET 48 Cb 0.70 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1b75 h MET 48 CO 0.05 0.28 0.07 -0.91 -0.40 0.00 0.00 176.91 176.00 1b75 h ASN 49 N 0.11 0.11 -0.11 1.39 2.35 -1.37 -2.22 115.58 115.85 1b75 h ASN 49 Ca 0.05 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1b75 h ASN 49 Cb 0.13 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1b75 h ASN 49 CO -0.01 0.08 0.02 0.24 -1.65 0.00 0.00 177.43 176.12 1b75 h MET 50 N 0.14 0.06 -0.00 0.81 2.86 -1.22 -3.31 114.93 114.27 1b75 h MET 50 Ca 0.05 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1b75 h MET 50 Cb -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1b75 h MET 50 CO -0.03 0.04 -0.03 -0.56 1.06 0.00 0.00 176.91 177.40 1b75 h GLN 51 N 0.06 0.02 0.00 1.72 -0.00 -0.96 -3.43 115.11 112.53 1b75 h GLN 51 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1b75 h GLN 51 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1b75 h GLN 51 CO -0.06 0.71 0.00 0.00 -0.00 0.00 0.00 178.83 179.48 1b75 n ALA 52 N -2.46 0.00 -2.00 0.06 0.00 -0.84 -3.87 120.51 111.40 1b75 n ALA 52 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1b75 n ALA 52 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.06 0.00 4.81 -1.26 -4.50 118.16 117.15 1b75 n LYS 53 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1b75 n LYS 53 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b75 n ALA 54 N -3.00 1.72 -0.38 3.14 0.00 -1.26 -4.63 120.51 116.10 1b75 n ALA 54 Ca 0.00 -0.73 0.34 0.00 0.00 0.00 0.00 53.44 53.05 1b75 n ALA 54 Cb 0.00 0.03 0.61 0.00 0.00 0.00 0.00 19.45 20.08 1b75 n ALA 54 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b75 h GLU 55 N 0.00 0.07 -0.92 0.00 4.81 -1.97 -1.74 114.58 114.83 1b75 h GLU 55 Ca -0.30 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1b75 h GLU 55 Cb 1.67 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.91 1b75 h GLU 55 CO 0.01 0.05 -0.48 0.34 -0.73 0.00 0.00 179.01 178.20 1b75 n PHE 56 N -4.97 -0.27 0.00 0.92 7.35 -1.25 -1.11 117.46 118.13 1b75 n PHE 56 Ca 0.37 1.14 0.05 0.00 -0.76 0.00 0.00 57.45 58.26 1b75 n PHE 56 Cb 1.33 -0.66 0.24 0.00 0.35 0.00 0.00 39.48 40.75 1b75 n PHE 56 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1b75 n TYR 57 N -5.21 1.12 1.01 -5.13 0.18 -0.65 -3.86 117.16 104.62 1b75 n TYR 57 Ca 0.04 -0.42 0.11 0.00 1.88 0.00 0.00 57.90 59.51 1b75 n TYR 57 Cb 0.28 -0.26 -0.02 0.00 -0.38 0.00 0.00 39.34 38.96 1b75 n TYR 57 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1b75 n SER 58 N 0.54 1.75 0.00 9.48 7.64 -0.27 -4.58 113.62 128.19 1b75 n SER 58 Ca 0.17 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1b75 n SER 58 Cb 0.72 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 1b75 n SER 58 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1b75 n GLU 59 N -0.41 0.00 -0.36 1.43 0.28 -1.24 -5.10 120.64 115.24 1b75 n GLU 59 Ca 0.08 -0.12 0.01 0.00 -0.16 0.00 0.00 57.16 56.97 1b75 n GLU 59 Cb 0.43 -0.48 -0.00 0.00 1.43 0.00 0.00 31.44 32.82 1b75 n GLU 59 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1b75 n VAL 60 N 0.00 -0.61 -4.11 3.84 3.14 -1.25 -4.52 118.33 114.81 1b75 n VAL 60 Ca 0.00 0.32 -0.11 0.00 -2.96 0.00 0.00 64.34 61.59 1b75 n VAL 60 Cb 0.31 -0.53 -0.08 0.00 -1.06 0.00 0.00 33.84 32.48 1b75 n VAL 60 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1b75 s LEU 61 N -3.70 1.01 -0.06 6.55 2.34 -0.78 -1.85 118.68 122.19 1b75 s LEU 61 Ca 0.00 -1.19 -0.03 0.00 0.06 0.00 0.00 54.13 52.98 1b75 s LEU 61 Cb 0.00 0.81 0.04 0.00 -0.56 0.00 0.00 46.19 46.47 1b75 s LEU 61 CO 0.00 -0.90 0.09 -0.89 -1.06 0.00 0.00 176.35 173.59 1b75 s THR 62 N -4.09 -0.16 -0.26 5.48 2.01 -0.31 -1.17 115.64 117.14 1b75 s THR 62 Ca 0.30 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.50 1b75 s THR 62 Cb 0.05 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1b75 s THR 62 CO 0.08 0.15 0.49 -0.63 -0.69 0.00 0.00 174.62 174.02 1b75 s ILE 63 N 2.21 5.09 -1.02 1.82 1.01 -0.12 -1.11 121.20 129.08 1b75 s ILE 63 Ca 0.04 0.83 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 1b75 s ILE 63 Cb -0.12 -3.80 0.10 0.00 0.01 0.00 0.00 42.46 38.65 1b75 s ILE 63 CO -0.04 0.10 1.31 -0.69 0.00 0.00 0.00 174.94 175.62 1b75 s VAL 64 N 2.25 4.45 -1.48 2.92 1.01 -0.35 -0.85 120.40 128.35 1b75 s VAL 64 Ca 0.20 -1.46 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 1b75 s VAL 64 Cb -0.16 -4.92 0.02 0.00 0.00 0.00 0.00 36.38 31.32 1b75 s VAL 64 CO 0.09 -1.70 2.52 1.33 0.00 0.00 0.00 175.10 177.34 1b75 n VAL 65 N 5.92 4.25 -2.86 2.92 0.24 -0.69 -1.14 118.33 126.96 1b75 n VAL 65 Ca 0.30 -3.24 -0.07 0.00 -2.04 0.00 0.00 64.34 59.29 1b75 n VAL 65 Cb 0.49 -2.49 0.01 0.00 -1.47 0.00 0.00 33.84 30.38 1b75 n VAL 65 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1b75 n ASP 66 N 4.00 -7.80 0.00 -1.34 2.03 -0.68 -4.19 116.55 108.57 1b75 n ASP 66 Ca 0.63 0.79 0.00 0.00 0.52 0.00 0.00 54.79 56.74 1b75 n ASP 66 Cb 0.29 -5.03 0.00 0.00 -0.72 0.00 0.00 41.12 35.67 1b75 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b75 n GLY 67 N 0.10 2.05 3.63 0.27 0.00 -1.26 -4.97 105.19 105.01 1b75 n GLY 67 Ca 0.06 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 3.67 -1.22 1.61 1.02 -1.26 -4.92 119.74 118.64 1b75 s LYS 68 Ca 0.00 2.00 -0.19 0.00 0.02 0.00 0.00 55.97 57.80 1b75 s LYS 68 Cb 0.00 -4.17 0.08 0.00 -0.52 0.00 0.00 37.83 33.21 1b75 s LYS 68 CO 0.00 -1.47 1.64 -1.21 -0.92 0.00 0.00 175.35 173.39 1b75 s GLU 69 N 5.15 3.90 -0.54 1.68 2.02 -1.26 -1.71 118.70 127.95 1b75 s GLU 69 Ca 0.84 -1.85 -0.27 0.00 0.02 0.00 0.00 54.97 53.71 1b75 s GLU 69 Cb -0.32 -5.45 0.03 0.00 0.10 0.00 0.00 34.13 28.50 1b75 s GLU 69 CO 0.34 -2.20 1.10 0.42 0.02 0.00 0.00 175.26 174.94 1b75 s ILE 70 N 4.15 4.18 0.13 -1.63 1.01 -0.03 -4.85 121.20 124.16 1b75 s ILE 70 Ca 0.51 0.82 -0.31 0.00 0.00 0.00 0.00 60.65 61.67 1b75 s ILE 70 Cb 0.02 -4.63 -0.08 0.00 0.01 0.00 0.00 42.46 37.78 1b75 s ILE 70 CO 0.03 -1.17 1.39 -1.59 0.00 0.00 0.00 174.94 173.60 1b75 s LYS 71 N 4.51 4.32 0.04 2.79 -2.85 -1.26 -0.94 119.74 126.35 1b75 s LYS 71 Ca 0.41 2.09 0.01 0.00 -1.00 0.00 0.00 55.97 57.48 1b75 s LYS 71 Cb -0.09 -3.24 -0.02 0.00 -2.06 0.00 0.00 37.83 32.42 1b75 s LYS 71 CO 0.26 -0.42 -0.06 0.14 0.10 0.00 0.00 175.35 175.36 1b75 s VAL 72 N 0.98 0.40 -0.17 1.79 -7.23 -0.32 -2.01 120.40 113.84 1b75 s VAL 72 Ca 0.64 -1.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 1b75 s VAL 72 Cb -0.37 -0.58 -0.22 0.00 0.56 0.00 0.00 36.38 35.77 1b75 s VAL 72 CO 0.31 -0.46 0.17 1.17 -0.31 0.00 0.00 175.10 175.98 1b75 n LYS 73 N 1.39 0.70 -0.60 4.82 4.81 -0.08 -1.86 118.16 127.34 1b75 n LYS 73 Ca -0.22 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1b75 n LYS 73 Cb 0.55 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.94 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 -3.19 -1.62 -0.68 3.14 0.00 -1.23 -4.44 120.51 112.50 1b75 n ALA 74 Ca -0.37 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1b75 n ALA 74 Cb 0.98 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.04 0.00 -2.64 0.00 1.13 -1.26 -4.82 117.38 108.76 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 0.01 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.36 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 -1.48 4.98 -4.59 1.08 2.03 -1.25 -4.94 116.55 112.38 1b75 n ASP 76 Ca 0.00 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 51.95 1b75 n ASP 76 Cb 0.00 -1.70 -0.05 0.00 -0.72 0.00 0.00 41.12 38.65 1b75 n ASP 76 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1b75 s VAL 77 N 3.47 4.69 -1.41 5.18 -7.23 -1.26 -1.64 120.40 122.20 1b75 s VAL 77 Ca 0.51 0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 61.52 1b75 s VAL 77 Cb 0.03 -4.25 0.07 0.00 0.56 0.00 0.00 36.38 32.79 1b75 s VAL 77 CO 0.05 -0.47 2.26 1.67 -0.31 0.00 0.00 175.10 178.30 1b75 n GLN 78 N 6.52 3.50 -4.35 4.82 -0.06 -0.25 -4.90 117.38 122.65 1b75 n GLN 78 Ca 0.04 -2.96 -0.25 0.00 -2.00 0.00 0.00 57.00 51.83 1b75 n GLN 78 Cb 0.48 -2.99 -0.09 0.00 -4.06 0.00 0.00 30.24 23.58 1b75 n GLN 78 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 1b75 s ARG 79 N 1.48 1.97 -0.09 3.69 1.04 -1.26 -2.12 118.95 123.66 1b75 s ARG 79 Ca 0.49 -1.45 -0.01 0.00 -1.04 0.00 0.00 55.73 53.72 1b75 s ARG 79 Cb 0.14 -2.03 0.03 0.00 -2.04 0.00 0.00 34.95 31.04 1b75 s ARG 79 CO -0.05 0.39 -0.04 -1.58 -0.04 0.00 0.00 175.30 173.98 1b75 s HIS 80 N -2.05 1.06 0.89 5.89 2.46 -1.26 -5.03 115.29 117.25 1b75 s HIS 80 Ca 0.27 -0.45 -0.13 0.00 0.47 0.00 0.00 55.06 55.23 1b75 s HIS 80 Cb -0.07 -1.01 0.13 0.00 -0.13 0.00 0.00 32.58 31.50 1b75 s HIS 80 CO 0.16 -0.42 1.17 -1.25 -2.47 0.00 0.00 174.74 171.93 1b75 s PRO 81 N 1.85 1.27 0.00 2.88 0.04 -1.26 -4.21 135.00 135.57 1b75 s PRO 81 Ca 0.05 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1b75 s PRO 81 Cb -0.12 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1b75 s PRO 81 CO -0.07 -2.08 0.00 0.66 0.04 0.00 0.00 177.00 175.56 1b75 n TYR 82 N -3.65 0.00 -3.29 0.56 4.01 -1.26 -4.74 117.16 108.78 1b75 n TYR 82 Ca 0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 1b75 n TYR 82 Cb 0.60 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 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 4.00 -0.51 -0.72 -2.85 -1.26 -5.03 119.74 113.36 1b75 s LYS 83 Ca 0.00 0.17 -0.28 0.00 -1.00 0.00 0.00 55.97 54.86 1b75 s LYS 83 Cb 0.00 -3.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.10 1b75 s LYS 83 CO 0.00 -0.36 1.55 -1.25 0.10 0.00 0.00 175.35 175.40 1b75 s PRO 84 N 2.23 3.23 -0.47 1.78 0.04 -1.26 -4.69 135.00 135.87 1b75 s PRO 84 Ca 0.19 0.72 0.06 0.00 0.04 0.00 0.00 61.00 62.01 1b75 s PRO 84 Cb -0.16 -4.17 0.23 0.00 0.04 0.00 0.00 34.50 30.45 1b75 s PRO 84 CO 0.10 -2.00 0.77 1.17 0.04 0.00 0.00 177.00 177.08 1b75 n LYS 85 N 8.62 0.71 -2.37 4.56 3.00 -1.26 -5.09 118.16 126.33 1b75 n LYS 85 Ca 0.16 -2.12 -0.36 0.00 -0.00 0.00 0.00 58.31 55.99 1b75 n LYS 85 Cb 0.49 -1.43 -0.02 0.00 0.00 0.00 0.00 35.03 34.07 1b75 n LYS 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1b75 s LEU 86 N -0.55 4.00 -0.05 3.14 1.43 -1.26 -4.24 118.68 121.16 1b75 s LEU 86 Ca 0.32 2.18 -0.04 0.00 -1.03 0.00 0.00 54.13 55.56 1b75 s LEU 86 Cb 0.18 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1b75 s LEU 86 CO -0.19 -0.82 -0.09 0.00 0.23 0.00 0.00 176.35 175.48 1b75 n GLN 87 N -0.51 0.14 -3.51 1.70 1.13 -0.90 -5.05 117.38 110.37 1b75 n GLN 87 Ca 0.07 0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 55.11 1b75 n GLN 87 Cb 0.49 -0.74 -0.02 0.00 0.11 0.00 0.00 30.24 30.09 1b75 n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1b75 s HIS 88 N -2.15 -0.37 -0.03 1.08 5.04 -1.24 -4.72 115.29 112.91 1b75 s HIS 88 Ca -0.09 0.20 0.02 0.00 -1.54 0.00 0.00 55.06 53.64 1b75 s HIS 88 Cb 0.03 0.55 0.01 0.00 0.04 0.00 0.00 32.58 33.22 1b75 s HIS 88 CO 0.12 -0.65 -0.06 0.42 -2.34 0.00 0.00 174.74 172.23 1b75 s ILE 89 N -3.29 0.58 -0.94 0.89 1.09 -1.26 -1.09 121.20 117.17 1b75 s ILE 89 Ca 0.05 -0.22 -0.07 0.00 -1.10 0.00 0.00 60.65 59.31 1b75 s ILE 89 Cb -0.01 -0.55 0.24 0.00 -1.06 0.00 0.00 42.46 41.08 1b75 s ILE 89 CO -0.09 0.20 0.88 -1.81 -0.10 0.00 0.00 174.94 174.02 1b75 s ASP 90 N 0.43 6.60 0.76 3.58 1.11 -0.65 -1.25 116.67 127.25 1b75 s ASP 90 Ca -0.06 -3.39 -0.12 0.00 0.18 0.00 0.00 52.55 49.16 1b75 s ASP 90 Cb -0.10 -2.08 0.06 0.00 1.07 0.00 0.00 42.92 41.87 1b75 s ASP 90 CO 0.00 -0.32 1.12 -0.36 1.18 0.00 0.00 175.17 176.80 1b75 s PHE 91 N -0.90 2.35 -0.02 4.23 0.08 0.12 -3.90 117.98 119.93 1b75 s PHE 91 Ca 0.26 1.60 0.03 0.00 0.12 0.00 0.00 56.93 58.94 1b75 s PHE 91 Cb -0.10 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 1b75 s PHE 91 CO -0.09 -2.06 -0.10 0.14 -0.10 0.00 0.00 175.22 173.01 1b75 s VAL 92 N -2.58 0.85 0.24 -0.44 -7.23 -1.26 -0.90 120.40 109.08 1b75 s VAL 92 Ca 0.65 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 60.11 1b75 s VAL 92 Cb -0.21 -0.74 -0.14 0.00 0.56 0.00 0.00 36.38 35.85 1b75 s VAL 92 CO 0.51 0.26 1.23 0.54 -0.31 0.00 0.00 175.10 177.33 1b75 n ARG 93 N 3.17 1.63 0.00 4.82 5.12 -0.76 -0.90 116.66 129.74 1b75 n ARG 93 Ca -0.17 0.58 0.14 0.00 -1.93 0.00 0.00 57.85 56.46 1b75 n ARG 93 Cb 0.55 -2.11 0.49 0.00 -1.16 0.00 0.00 32.46 30.23 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70