#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 -3.26 -3.25 2.03 3.72 -1.26 -3.19 117.46 112.25 1b75 n PHE 2 Ca 0.00 1.73 -0.09 0.00 -0.05 0.00 0.00 57.45 59.04 1b75 n PHE 2 Cb 0.00 -2.96 -0.04 0.00 -0.94 0.00 0.00 39.48 35.54 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 -3.28 -0.65 -0.70 4.37 2.01 -1.26 -4.35 115.64 111.78 1b75 s THR 3 Ca 0.00 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 1b75 s THR 3 Cb 0.00 -0.35 0.04 0.00 0.01 0.00 0.00 72.50 72.20 1b75 s THR 3 CO 0.00 -0.31 1.19 -0.63 -0.69 0.00 0.00 174.62 174.18 1b75 s ILE 4 N 1.51 3.89 -1.22 1.82 1.09 -0.71 -4.92 121.20 122.66 1b75 s ILE 4 Ca 0.18 0.28 -0.18 0.00 -1.10 0.00 0.00 60.65 59.83 1b75 s ILE 4 Cb -0.09 -4.84 -0.02 0.00 -1.06 0.00 0.00 42.46 36.46 1b75 s ILE 4 CO -0.05 -1.71 1.98 0.59 -0.10 0.00 0.00 174.94 175.65 1b75 n ASN 5 N 8.88 3.76 -4.90 3.58 4.13 -1.26 -1.04 115.26 128.41 1b75 n ASN 5 Ca 0.02 -2.81 -0.24 0.00 1.68 0.00 0.00 54.58 53.23 1b75 n ASN 5 Cb 0.48 -1.58 0.07 0.00 -1.54 0.00 0.00 39.78 37.21 1b75 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1b75 s ALA 6 N 5.16 3.39 0.03 5.41 0.00 -0.87 -4.81 121.76 130.07 1b75 s ALA 6 Ca 0.55 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1b75 s ALA 6 Cb 0.09 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 1b75 s ALA 6 CO 0.04 -1.18 0.02 -2.00 0.00 0.00 0.00 175.76 172.63 1b75 s GLU 7 N -5.12 0.48 0.46 0.00 2.12 -1.18 -3.19 118.70 112.27 1b75 s GLU 7 Ca 0.60 -0.80 -0.24 0.00 0.36 0.00 0.00 54.97 54.88 1b75 s GLU 7 Cb -0.10 0.18 -0.09 0.00 0.26 0.00 0.00 34.13 34.38 1b75 s GLU 7 CO 0.43 -0.10 1.25 1.33 -0.54 0.00 0.00 175.26 177.63 1b75 n VAL 8 N 0.94 2.83 -1.99 3.70 0.24 -1.26 -1.50 118.33 121.30 1b75 n VAL 8 Ca -0.20 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.27 1b75 n VAL 8 Cb 0.58 -1.53 -0.04 0.00 -1.47 0.00 0.00 33.84 31.38 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 -2.35 2.52 -0.47 7.34 6.06 -1.22 -4.59 118.95 126.24 1b75 s ARG 9 Ca 0.64 0.34 0.07 0.00 -2.50 0.00 0.00 55.73 54.27 1b75 s ARG 9 Cb -0.49 -4.66 0.18 0.00 0.06 0.00 0.00 34.95 30.05 1b75 s ARG 9 CO 0.56 -3.08 0.66 0.21 -2.50 0.00 0.00 175.30 171.15 1b75 s LYS 10 N 7.19 0.96 -1.12 5.12 2.47 -1.26 -5.00 119.74 128.10 1b75 s LYS 10 Ca 0.71 -0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 54.09 1b75 s LYS 10 Cb -0.11 -0.10 -0.06 0.00 -1.46 0.00 0.00 37.83 36.10 1b75 s LYS 10 CO 0.13 -1.28 1.95 -0.85 0.16 0.00 0.00 175.35 175.46 1b75 n GLU 11 N 3.51 2.11 -4.13 4.03 0.00 -1.26 -4.90 120.64 120.01 1b75 n GLU 11 Ca 0.16 -2.45 -0.28 0.00 0.00 0.00 0.00 57.16 54.58 1b75 n GLU 11 Cb 0.55 -3.34 -0.02 0.00 0.00 0.00 0.00 31.44 28.63 1b75 n GLU 11 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1b75 s GLN 12 N 4.96 2.24 0.00 3.44 -1.52 -1.26 -4.74 119.66 122.78 1b75 s GLN 12 Ca 0.58 -2.14 0.00 0.00 -1.95 0.00 0.00 55.36 51.86 1b75 s GLN 12 Cb 0.08 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.93 1b75 s GLN 12 CO 0.08 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.97 1b75 n GLY 13 N -1.64 0.57 3.73 3.09 0.00 -1.26 -4.61 105.19 105.07 1b75 n GLY 13 Ca -0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1b75 n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b75 n LYS 14 N 0.00 -1.79 -3.68 1.61 5.02 -1.26 -5.01 118.16 113.06 1b75 n LYS 14 Ca 0.00 0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 1b75 n LYS 14 Cb 0.00 -4.24 -0.09 0.00 -0.02 0.00 0.00 35.03 30.67 1b75 n LYS 14 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1b75 s GLY 15 N -3.67 -0.43 0.78 0.72 0.00 -1.26 -5.17 107.32 98.28 1b75 s GLY 15 Ca 0.37 1.79 -0.11 0.00 0.00 0.00 0.00 44.72 46.77 1b75 s GLY 15 CO 0.86 1.82 1.14 0.00 0.00 0.00 0.00 173.10 176.93 1b75 s ALA 16 N 1.25 2.77 0.10 3.20 0.00 -1.26 -4.58 121.76 123.23 1b75 s ALA 16 Ca -0.08 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 1b75 s ALA 16 Cb -0.06 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.01 1b75 s ALA 16 CO -0.12 -1.53 1.74 1.03 0.00 0.00 0.00 175.76 176.87 1b75 h SER 17 N -0.92 -0.02 0.00 0.00 0.87 -2.03 -3.47 113.55 107.98 1b75 h SER 17 Ca -0.46 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1b75 h SER 17 Cb 1.32 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1b75 h SER 17 CO 0.65 -0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.48 1b75 n ARG 18 N -5.10 0.00 -2.60 2.24 1.74 -1.26 -4.21 116.66 107.47 1b75 n ARG 18 Ca -0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.59 1b75 n ARG 18 Cb 0.04 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.46 1b75 n ARG 18 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1b75 s ARG 19 N 0.00 4.28 0.12 5.56 0.52 -1.26 -4.71 118.95 123.46 1b75 s ARG 19 Ca 0.00 1.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1b75 s ARG 19 Cb 0.00 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.82 1b75 s ARG 19 CO 0.00 -0.60 0.00 -0.11 0.02 0.00 0.00 175.30 174.61 1b75 n LEU 20 N 6.17 -0.88 0.00 2.53 7.94 -1.26 -4.22 117.00 127.29 1b75 n LEU 20 Ca 0.12 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1b75 n LEU 20 Cb 0.46 1.07 0.00 0.00 0.53 0.00 0.00 43.42 45.48 1b75 n LEU 20 CO 0.53 -0.37 0.00 0.54 -1.11 0.00 0.00 177.39 176.98 1b75 n ARG 21 N -2.79 0.00 -2.82 1.96 3.00 -1.26 -1.72 116.66 113.04 1b75 n ARG 21 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.73 1b75 n ARG 21 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.50 1b75 n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b75 n ALA 22 N -0.46 1.93 -2.00 7.54 0.00 -1.26 -4.44 120.51 121.81 1b75 n ALA 22 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1b75 n ALA 22 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.02 0.00 -2.38 0.00 0.00 -0.70 -4.96 120.51 112.46 1b75 n ALA 23 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 1b75 n ALA 23 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 1b75 n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1b75 s ASN 24 N 1.56 5.97 -0.25 0.00 2.47 -1.26 -4.01 114.94 119.43 1b75 s ASN 24 Ca 0.00 -0.87 -0.05 0.00 0.42 0.00 0.00 52.86 52.36 1b75 s ASN 24 Cb 0.00 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 1b75 s ASN 24 CO 0.00 -1.97 0.30 0.29 -3.72 0.00 0.00 177.10 172.00 1b75 n LYS 25 N 9.01 -0.95 -2.54 0.43 5.02 -1.26 -4.05 118.16 123.83 1b75 n LYS 25 Ca 0.27 1.16 -0.34 0.00 -2.02 0.00 0.00 58.31 57.39 1b75 n LYS 25 Cb 0.50 -3.49 -0.04 0.00 -0.02 0.00 0.00 35.03 31.99 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 -2.20 3.05 0.58 2.13 -0.71 -1.18 -4.69 117.98 114.96 1b75 s PHE 26 Ca 0.08 1.57 -0.13 0.00 -1.04 0.00 0.00 56.93 57.41 1b75 s PHE 26 Cb -0.02 -3.03 -0.05 0.00 -1.21 0.00 0.00 43.02 38.71 1b75 s PHE 26 CO 0.36 -0.75 1.02 -1.25 -1.34 0.00 0.00 175.22 173.26 1b75 s PRO 27 N -3.30 3.69 0.13 1.99 0.04 -1.26 -2.08 135.00 134.21 1b75 s PRO 27 Ca 0.66 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1b75 s PRO 27 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1b75 s PRO 27 CO 0.20 -0.49 0.08 0.00 0.04 0.00 0.00 177.00 176.84 1b75 s ALA 28 N -2.92 0.76 0.06 8.56 0.00 -0.43 -4.41 121.76 123.38 1b75 s ALA 28 Ca 0.57 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1b75 s ALA 28 Cb -0.11 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1b75 s ALA 28 CO 0.44 -0.51 -0.15 0.42 0.00 0.00 0.00 175.76 175.97 1b75 s ILE 29 N -4.04 1.16 -0.32 0.00 1.01 -0.61 -1.06 121.20 117.34 1b75 s ILE 29 Ca 0.23 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1b75 s ILE 29 Cb 0.07 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.54 1b75 s ILE 29 CO 0.02 -0.11 0.03 -0.63 0.00 0.00 0.00 174.94 174.24 1b75 s ILE 30 N -1.08 2.59 0.86 2.92 1.01 -0.79 -1.11 121.20 125.60 1b75 s ILE 30 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 60.65 58.62 1b75 s ILE 30 Cb -0.09 -2.69 0.14 0.00 0.01 0.00 0.00 42.46 39.83 1b75 s ILE 30 CO 0.02 -0.36 1.21 -0.31 0.00 0.00 0.00 174.94 175.50 1b75 s TYR 31 N 1.07 2.14 0.00 3.97 1.51 0.03 -3.61 117.35 122.46 1b75 s TYR 31 Ca 0.02 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1b75 s TYR 31 Cb -0.20 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 37.93 1b75 s TYR 31 CO -0.05 -2.16 0.00 0.41 -1.11 0.00 0.00 175.55 172.64 1b75 n GLY 32 N -3.44 0.47 1.82 0.71 0.00 -1.26 -1.48 105.19 101.99 1b75 n GLY 32 Ca 0.12 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.48 3.11 0.00 -0.02 0.00 -1.26 -4.73 105.19 101.82 1b75 n GLY 33 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1b75 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b75 n LYS 34 N 1.53 0.00 -0.45 1.61 5.02 -1.26 -5.18 118.16 119.42 1b75 n LYS 34 Ca 0.23 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1b75 n LYS 34 Cb 0.64 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.63 1b75 n LYS 34 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1b75 n GLU 35 N -0.10 -1.10 -1.84 1.97 4.07 -1.26 -4.90 120.64 117.48 1b75 n GLU 35 Ca 0.00 0.89 -0.35 0.00 -0.06 0.00 0.00 57.16 57.63 1b75 n GLU 35 Cb 0.00 -1.20 0.05 0.00 -0.06 0.00 0.00 31.44 30.23 1b75 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b75 s ALA 36 N -3.76 2.43 -1.15 4.31 0.00 -1.26 -4.79 121.76 117.53 1b75 s ALA 36 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.70 1b75 s ALA 36 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1b75 s ALA 36 CO 0.00 -1.37 1.85 -1.25 0.00 0.00 0.00 175.76 174.99 1b75 s PRO 37 N -3.53 2.93 0.75 0.00 0.04 -1.26 -4.94 135.00 129.00 1b75 s PRO 37 Ca 0.76 -1.21 -0.12 0.00 0.04 0.00 0.00 61.00 60.47 1b75 s PRO 37 Cb -0.30 -5.29 0.05 0.00 0.04 0.00 0.00 34.50 29.00 1b75 s PRO 37 CO 0.37 -3.35 1.11 -0.48 0.04 0.00 0.00 177.00 174.69 1b75 s LEU 38 N 8.84 3.14 0.11 -3.56 -0.00 -1.24 -4.70 118.68 121.27 1b75 s LEU 38 Ca 0.64 1.97 0.05 0.00 -0.00 0.00 0.00 54.13 56.78 1b75 s LEU 38 Cb -0.01 -4.54 -0.04 0.00 -0.00 0.00 0.00 46.19 41.60 1b75 s LEU 38 CO 0.08 -2.07 0.03 0.00 -0.00 0.00 0.00 176.35 174.39 1b75 s ALA 39 N -2.62 3.37 0.23 1.48 0.00 -1.26 -1.88 121.76 121.07 1b75 s ALA 39 Ca 0.65 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1b75 s ALA 39 Cb -0.20 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1b75 s ALA 39 CO 0.51 0.67 0.15 0.96 0.00 0.00 0.00 175.76 178.04 1b75 s ILE 40 N -1.42 0.07 -0.09 0.00 -4.36 -0.22 -3.41 121.20 111.76 1b75 s ILE 40 Ca 0.27 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1b75 s ILE 40 Cb -0.11 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 1b75 s ILE 40 CO 0.20 0.00 -0.06 -1.83 0.24 0.00 0.00 174.94 173.49 1b75 s GLU 41 N -4.03 2.99 0.29 0.37 -1.05 -0.56 -1.31 118.70 115.41 1b75 s GLU 41 Ca 0.39 -0.53 0.10 0.00 -0.15 0.00 0.00 54.97 54.78 1b75 s GLU 41 Cb 0.06 -2.69 -0.05 0.00 -0.44 0.00 0.00 34.13 31.02 1b75 s GLU 41 CO 0.15 0.57 -0.04 -0.51 0.95 0.00 0.00 175.26 176.37 1b75 s LEU 42 N -0.54 2.98 0.00 1.83 1.02 -0.88 -3.13 118.68 119.96 1b75 s LEU 42 Ca 0.08 -0.85 -0.09 0.00 0.02 0.00 0.00 54.13 53.29 1b75 s LEU 42 Cb -0.12 -1.45 0.13 0.00 0.02 0.00 0.00 46.19 44.77 1b75 s LEU 42 CO 0.02 -0.07 0.62 -0.90 0.02 0.00 0.00 176.35 176.04 1b75 n ASP 43 N -0.85 -0.55 -3.15 2.29 5.75 -1.26 -3.09 116.55 115.68 1b75 n ASP 43 Ca -0.05 -1.09 -0.18 0.00 -0.01 0.00 0.00 54.79 53.46 1b75 n ASP 43 Cb 0.60 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 1b75 n ASP 43 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1b75 n HIS 44 N -3.21 -0.21 0.13 2.11 -0.00 -1.26 -4.38 115.22 108.40 1b75 n HIS 44 Ca 0.08 -3.61 0.00 0.00 0.46 0.00 0.00 57.72 54.65 1b75 n HIS 44 Cb 0.29 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 1b75 n HIS 44 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1b75 n ASP 45 N 0.54 -2.30 -0.24 0.26 2.03 -1.26 -4.95 116.55 110.61 1b75 n ASP 45 Ca 0.23 0.51 -0.07 0.00 0.52 0.00 0.00 54.79 55.98 1b75 n ASP 45 Cb 0.64 2.35 0.04 0.00 -0.72 0.00 0.00 41.12 43.43 1b75 n ASP 45 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1b75 h LYS 46 N 0.00 1.07 -1.00 -0.67 3.64 -2.00 -2.91 116.57 114.70 1b75 h LYS 46 Ca 0.00 -0.24 0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1b75 h LYS 46 Cb 0.00 -0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.59 1b75 h LYS 46 CO 0.00 0.94 0.64 -0.24 -2.27 0.00 0.00 179.45 178.52 1b75 h VAL 47 N 1.00 0.97 -0.40 2.00 3.04 -1.93 -0.55 116.25 120.39 1b75 h VAL 47 Ca 0.22 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1b75 h VAL 47 Cb 0.33 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.43 1b75 h VAL 47 CO -0.00 0.19 0.16 -0.03 -1.01 0.00 0.00 177.57 176.88 1b75 h MET 48 N 1.05 0.61 -0.37 4.17 1.85 -1.88 0.17 114.93 120.52 1b75 h MET 48 Ca 0.48 -0.11 -0.02 0.00 -0.61 0.00 0.00 59.70 59.44 1b75 h MET 48 Cb 0.39 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 1b75 h MET 48 CO -0.23 0.57 0.17 -0.91 -0.40 0.00 0.00 176.91 176.11 1b75 h ASN 49 N 0.51 0.50 0.36 1.39 2.35 -1.33 -2.79 115.58 116.57 1b75 h ASN 49 Ca 0.13 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1b75 h ASN 49 Cb 0.20 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1b75 h ASN 49 CO -0.01 0.50 -0.42 0.24 -1.65 0.00 0.00 177.43 176.09 1b75 h MET 50 N 0.46 0.08 0.00 0.81 2.86 -1.00 -3.36 114.93 114.79 1b75 h MET 50 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1b75 h MET 50 Cb 0.14 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1b75 h MET 50 CO -0.01 0.49 0.00 1.04 1.06 0.00 0.00 176.91 179.48 1b75 n GLN 51 N -4.03 0.00 0.00 1.72 1.13 0.59 -4.68 117.38 112.10 1b75 n GLN 51 Ca -0.02 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1b75 n GLN 51 Cb 0.46 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 29.84 1b75 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b75 n ALA 52 N -0.66 0.00 -0.34 -1.58 0.00 -1.18 -3.65 120.51 113.09 1b75 n ALA 52 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1b75 n ALA 52 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1b75 n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1b75 n LYS 53 N -0.27 -0.88 0.00 0.00 4.01 -1.26 -4.85 118.16 114.91 1b75 n LYS 53 Ca 0.00 0.69 0.00 0.00 -0.51 0.00 0.00 58.31 58.49 1b75 n LYS 53 Cb 0.00 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.64 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1b75 n ALA 54 N -1.91 0.00 -0.30 7.82 0.00 -1.26 -4.38 120.51 120.47 1b75 n ALA 54 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1b75 n ALA 54 Cb 0.12 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.84 1b75 n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1b75 h GLU 55 N 0.00 0.50 -0.34 0.00 5.08 -1.89 -2.19 114.58 115.75 1b75 h GLU 55 Ca 0.00 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1b75 h GLU 55 Cb 0.00 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.05 1b75 h GLU 55 CO 0.00 0.33 -0.29 0.35 -1.00 0.00 0.00 179.01 178.40 1b75 h PHE 56 N 0.51 -0.78 -2.32 4.33 3.57 -1.76 -2.14 116.94 118.35 1b75 h PHE 56 Ca 0.52 0.05 -0.80 0.00 3.53 0.00 0.00 57.97 61.27 1b75 h PHE 56 Cb 0.89 0.39 -0.26 0.00 2.79 0.00 0.00 35.95 39.76 1b75 h PHE 56 CO -0.11 -0.36 1.09 2.48 -2.23 0.00 0.00 178.31 179.18 1b75 n TYR 57 N -5.40 2.63 0.09 0.41 4.11 -0.83 -4.43 117.16 113.75 1b75 n TYR 57 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 57.90 55.32 1b75 n TYR 57 Cb 0.32 -1.27 0.00 0.00 -0.00 0.00 0.00 39.34 38.39 1b75 n TYR 57 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1b75 n SER 58 N 0.45 -0.24 -1.22 9.48 7.64 -0.81 -4.94 113.62 123.98 1b75 n SER 58 Ca 0.43 0.33 0.05 0.00 1.01 0.00 0.00 58.87 60.68 1b75 n SER 58 Cb 0.28 0.38 0.23 0.00 -1.01 0.00 0.00 64.21 64.08 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 -3.11 3.04 -0.81 1.43 0.28 -1.20 -5.03 120.64 115.24 1b75 n GLU 59 Ca 0.00 -1.78 0.10 0.00 -0.16 0.00 0.00 57.16 55.31 1b75 n GLU 59 Cb 0.00 -1.84 -0.05 0.00 1.43 0.00 0.00 31.44 30.98 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 0.44 -0.47 -4.27 3.84 3.14 -1.26 -4.87 118.33 114.88 1b75 n VAL 60 Ca 0.16 0.51 -0.15 0.00 -2.96 0.00 0.00 64.34 61.90 1b75 n VAL 60 Cb 0.72 -0.78 -0.10 0.00 -1.06 0.00 0.00 33.84 32.62 1b75 n VAL 60 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1b75 s LEU 61 N -5.89 2.01 -0.06 6.55 1.02 0.02 -4.65 118.68 117.68 1b75 s LEU 61 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 54.13 52.93 1b75 s LEU 61 Cb 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 46.19 46.17 1b75 s LEU 61 CO 0.00 -0.60 -0.03 -0.89 0.02 0.00 0.00 176.35 174.85 1b75 s THR 62 N -3.65 0.54 -0.29 5.49 2.01 -1.19 -1.38 115.64 117.17 1b75 s THR 62 Ca 0.28 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1b75 s THR 62 Cb 0.06 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1b75 s THR 62 CO 0.07 0.25 0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 1b75 s ILE 63 N 1.31 5.06 -0.92 1.82 1.01 -0.35 -1.74 121.20 127.39 1b75 s ILE 63 Ca -0.05 -0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 1b75 s ILE 63 Cb -0.14 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 38.95 1b75 s ILE 63 CO -0.02 0.18 1.25 -0.69 0.00 0.00 0.00 174.94 175.65 1b75 s VAL 64 N 1.71 4.28 -1.01 2.92 1.01 -0.21 -0.96 120.40 128.14 1b75 s VAL 64 Ca 0.06 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 1b75 s VAL 64 Cb -0.16 -4.89 0.09 0.00 0.00 0.00 0.00 36.38 31.42 1b75 s VAL 64 CO 0.09 -1.70 1.33 -0.69 0.00 0.00 0.00 175.10 174.13 1b75 s VAL 65 N 3.99 4.36 0.00 2.92 1.01 -0.52 -2.04 120.40 130.12 1b75 s VAL 65 Ca 0.37 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1b75 s VAL 65 Cb -0.05 -4.94 0.00 0.00 0.00 0.00 0.00 36.38 31.40 1b75 s VAL 65 CO -0.05 -1.74 0.00 -0.67 0.00 0.00 0.00 175.10 172.64 1b75 n ASP 66 N 7.61 0.00 -2.73 3.32 2.03 -1.19 -2.29 116.55 123.30 1b75 n ASP 66 Ca 0.30 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.52 1b75 n ASP 66 Cb 0.49 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.00 1.69 2.94 0.27 0.00 -1.26 -5.05 105.19 103.78 1b75 n GLY 67 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1b75 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b75 s LYS 68 N -2.30 0.30 -1.22 1.61 2.20 -0.97 -5.09 119.74 114.27 1b75 s LYS 68 Ca 0.27 0.57 -0.19 0.00 -0.36 0.00 0.00 55.97 56.27 1b75 s LYS 68 Cb 0.43 -0.45 0.08 0.00 -1.51 0.00 0.00 37.83 36.38 1b75 s LYS 68 CO -0.00 -0.55 1.62 -1.21 -0.36 0.00 0.00 175.35 174.85 1b75 s GLU 69 N 2.50 3.90 -0.53 4.03 2.02 -1.26 -1.44 118.70 127.93 1b75 s GLU 69 Ca 0.09 -1.87 -0.28 0.00 0.02 0.00 0.00 54.97 52.92 1b75 s GLU 69 Cb -0.15 -5.42 0.02 0.00 0.10 0.00 0.00 34.13 28.68 1b75 s GLU 69 CO -0.14 -2.18 1.31 0.42 0.02 0.00 0.00 175.26 174.70 1b75 s ILE 70 N 4.03 3.93 0.04 -1.63 1.01 -0.14 -4.84 121.20 123.60 1b75 s ILE 70 Ca 0.50 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.70 1b75 s ILE 70 Cb 0.02 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1b75 s ILE 70 CO 0.03 -1.13 1.19 -0.54 0.00 0.00 0.00 174.94 174.49 1b75 s LYS 71 N 5.11 4.42 0.20 2.79 1.02 -1.26 -1.21 119.74 130.82 1b75 s LYS 71 Ca 0.51 1.74 0.02 0.00 0.02 0.00 0.00 55.97 58.25 1b75 s LYS 71 Cb -0.10 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1b75 s LYS 71 CO 0.27 -0.29 0.04 0.14 -0.92 0.00 0.00 175.35 174.59 1b75 s VAL 72 N 1.31 0.62 0.00 3.17 -7.23 -0.48 -1.44 120.40 116.35 1b75 s VAL 72 Ca 0.58 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1b75 s VAL 72 Cb -0.28 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1b75 s VAL 72 CO 0.28 -0.29 0.71 1.17 -0.31 0.00 0.00 175.10 176.65 1b75 n LYS 73 N -0.32 1.15 -1.64 4.82 0.00 -0.18 -0.80 118.16 121.19 1b75 n LYS 73 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 58.31 57.32 1b75 n LYS 73 Cb 0.64 -0.91 0.00 0.00 0.00 0.00 0.00 35.03 34.77 1b75 n LYS 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b75 n ALA 74 N -0.25 -2.37 -1.79 3.14 0.00 -1.26 -4.62 120.51 113.37 1b75 n ALA 74 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1b75 n ALA 74 Cb 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1b75 n ALA 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1b75 n GLN 75 N 1.23 0.00 -1.47 0.00 0.00 -0.08 -4.73 117.38 112.32 1b75 n GLN 75 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 1b75 n GLN 75 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 1b75 n GLN 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1b75 n ASP 76 N 0.00 8.18 -4.70 1.69 8.00 -1.18 -4.94 116.55 123.61 1b75 n ASP 76 Ca 0.00 -2.70 -0.42 0.00 0.71 0.00 0.00 54.79 52.38 1b75 n ASP 76 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.54 1b75 n ASP 76 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1b75 s VAL 77 N 1.69 3.73 -0.31 2.53 -7.23 -1.25 -4.05 120.40 115.52 1b75 s VAL 77 Ca 0.65 1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 61.85 1b75 s VAL 77 Cb 0.18 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 1b75 s VAL 77 CO -0.07 0.03 0.28 -1.58 -0.31 0.00 0.00 175.10 173.46 1b75 s GLN 78 N 1.94 3.75 0.54 4.82 0.74 -0.73 -4.95 119.66 125.77 1b75 s GLN 78 Ca 0.62 -0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.73 1b75 s GLN 78 Cb -0.31 -3.73 0.03 0.00 1.10 0.00 0.00 33.01 30.09 1b75 s GLN 78 CO 0.27 -0.35 0.36 1.03 -0.55 0.00 0.00 175.29 176.04 1b75 s ARG 79 N 1.88 2.25 -0.27 1.67 3.00 -1.26 -4.23 118.95 122.00 1b75 s ARG 79 Ca 0.10 -2.05 -0.04 0.00 0.00 0.00 0.00 55.73 53.74 1b75 s ARG 79 Cb -0.16 -2.04 0.15 0.00 0.00 0.00 0.00 34.95 32.89 1b75 s ARG 79 CO 0.11 -0.57 0.51 -1.58 0.00 0.00 0.00 175.30 173.76 1b75 s HIS 80 N -2.77 -1.20 -0.09 -0.53 2.46 -1.26 -4.97 115.29 106.93 1b75 s HIS 80 Ca 0.31 1.49 -0.24 0.00 0.47 0.00 0.00 55.06 57.09 1b75 s HIS 80 Cb -0.02 0.39 -0.20 0.00 -0.13 0.00 0.00 32.58 32.62 1b75 s HIS 80 CO 0.19 -0.74 0.86 -1.00 -2.47 0.00 0.00 174.74 171.58 1b75 h PRO 81 N 8.08 -0.05 -0.60 2.88 0.13 -2.01 -3.36 132.00 137.07 1b75 h PRO 81 Ca -0.20 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.02 1b75 h PRO 81 Cb 1.14 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1b75 h PRO 81 CO 0.22 0.61 0.23 1.88 -0.23 0.00 0.00 178.00 180.72 1b75 h TYR 82 N -0.84 0.41 -3.36 1.56 0.05 -2.00 -3.37 116.97 109.41 1b75 h TYR 82 Ca -0.01 0.03 -0.60 0.00 0.05 0.00 0.00 58.73 58.20 1b75 h TYR 82 Cb 0.69 -0.09 -0.33 0.00 1.01 0.00 0.00 36.73 38.00 1b75 h TYR 82 CO 0.17 0.11 -0.85 0.15 -1.05 0.00 0.00 178.16 176.69 1b75 s LYS 83 N -6.09 2.42 -1.21 4.88 1.02 -1.26 -5.07 119.74 114.43 1b75 s LYS 83 Ca -0.13 -0.66 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 1b75 s LYS 83 Cb 0.17 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1b75 s LYS 83 CO 0.74 0.09 1.81 -1.25 -0.92 0.00 0.00 175.35 175.83 1b75 s PRO 84 N 0.54 3.23 -0.02 -1.68 0.04 -1.26 -4.62 135.00 131.24 1b75 s PRO 84 Ca -0.16 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.40 1b75 s PRO 84 Cb -0.17 -5.37 0.03 0.00 0.04 0.00 0.00 34.50 29.03 1b75 s PRO 84 CO 0.06 -3.06 0.02 0.21 0.04 0.00 0.00 177.00 174.27 1b75 s LYS 85 N 5.41 0.02 0.52 4.56 2.20 -1.26 -5.09 119.74 126.10 1b75 s LYS 85 Ca 0.61 0.16 -0.09 0.00 -0.36 0.00 0.00 55.97 56.28 1b75 s LYS 85 Cb 0.01 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.01 1b75 s LYS 85 CO 0.08 -0.15 0.89 -0.51 -0.36 0.00 0.00 175.35 175.30 1b75 s LEU 86 N 0.99 3.51 0.12 5.43 2.01 -1.26 -4.19 118.68 125.29 1b75 s LEU 86 Ca -0.09 1.18 0.00 0.00 0.01 0.00 0.00 54.13 55.24 1b75 s LEU 86 Cb -0.12 -4.16 0.00 0.00 0.01 0.00 0.00 46.19 41.92 1b75 s LEU 86 CO -0.03 -0.66 0.00 0.00 1.01 0.00 0.00 176.35 176.67 1b75 n GLN 87 N -2.26 0.00 -3.56 1.70 1.13 -1.26 -4.86 117.38 108.26 1b75 n GLN 87 Ca 0.03 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.95 1b75 n GLN 87 Cb 0.54 -0.21 -0.05 0.00 0.11 0.00 0.00 30.24 30.63 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 -1.68 -0.47 -0.13 1.08 2.46 -1.26 -4.80 115.29 110.50 1b75 s HIS 88 Ca 0.00 0.59 -0.00 0.00 0.47 0.00 0.00 55.06 56.11 1b75 s HIS 88 Cb 0.00 0.36 0.03 0.00 -0.13 0.00 0.00 32.58 32.84 1b75 s HIS 88 CO 0.00 -0.64 -0.07 0.42 -2.47 0.00 0.00 174.74 171.98 1b75 s ILE 89 N -2.21 1.05 -0.38 0.89 -1.09 -1.26 -1.78 121.20 116.42 1b75 s ILE 89 Ca -0.07 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 57.93 1b75 s ILE 89 Cb -0.01 -1.11 0.08 0.00 -1.58 0.00 0.00 42.46 39.84 1b75 s ILE 89 CO 0.00 0.31 0.17 -1.81 -1.23 0.00 0.00 174.94 172.38 1b75 s ASP 90 N 1.69 5.30 0.49 3.58 1.11 -1.26 -1.57 116.67 126.02 1b75 s ASP 90 Ca 0.04 -1.63 -0.04 0.00 0.18 0.00 0.00 52.55 51.10 1b75 s ASP 90 Cb -0.13 -1.86 -0.02 0.00 1.07 0.00 0.00 42.92 41.98 1b75 s ASP 90 CO -0.08 -0.46 0.77 -0.36 1.18 0.00 0.00 175.17 176.22 1b75 s PHE 91 N 1.27 3.41 -0.07 4.23 0.08 -0.27 -0.90 117.98 125.73 1b75 s PHE 91 Ca 0.03 0.61 0.01 0.00 0.12 0.00 0.00 56.93 57.70 1b75 s PHE 91 Cb -0.22 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 1b75 s PHE 91 CO -0.01 -0.40 -0.08 0.54 -0.10 0.00 0.00 175.22 175.17 1b75 s VAL 92 N -2.74 0.89 0.19 -0.44 0.11 -1.26 -0.79 120.40 116.37 1b75 s VAL 92 Ca 0.49 -0.28 -0.32 0.00 -2.93 0.00 0.00 61.98 58.93 1b75 s VAL 92 Cb -0.10 -0.87 -0.12 0.00 -1.53 0.00 0.00 36.38 33.75 1b75 s VAL 92 CO 0.43 0.32 1.73 0.54 -3.33 0.00 0.00 175.10 174.78 1b75 n ARG 93 N 4.29 2.72 0.00 1.54 1.74 -0.55 -1.01 116.66 125.39 1b75 n ARG 93 Ca -0.19 0.98 0.14 0.00 -0.77 0.00 0.00 57.85 58.01 1b75 n ARG 93 Cb 0.51 -2.83 0.82 0.00 -1.02 0.00 0.00 32.46 29.94 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11