#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 2.55 -3.06 2.03 3.72 -1.24 -4.63 117.46 116.83 1b75 n PHE 2 Ca 0.00 0.09 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 1b75 n PHE 2 Cb 0.00 -2.64 -0.01 0.00 -0.94 0.00 0.00 39.48 35.90 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 1.41 5.24 -0.49 4.37 2.01 -1.26 -1.86 115.64 125.05 1b75 s THR 3 Ca 0.78 -2.61 -0.28 0.00 0.31 0.00 0.00 61.69 59.89 1b75 s THR 3 Cb -0.57 -4.79 0.01 0.00 0.01 0.00 0.00 72.50 67.16 1b75 s THR 3 CO 0.36 -1.46 1.47 -0.63 -0.69 0.00 0.00 174.62 173.67 1b75 s ILE 4 N 1.05 3.78 0.03 1.82 1.09 -0.40 -4.90 121.20 123.67 1b75 s ILE 4 Ca 0.36 0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 60.33 1b75 s ILE 4 Cb -0.05 -4.25 -0.07 0.00 -1.06 0.00 0.00 42.46 37.03 1b75 s ILE 4 CO -0.04 -0.93 1.54 0.21 -0.10 0.00 0.00 174.94 175.63 1b75 s ASN 5 N 4.61 6.71 0.26 3.58 3.84 -1.26 -0.91 114.94 131.78 1b75 s ASN 5 Ca 0.59 2.30 -0.03 0.00 0.21 0.00 0.00 52.86 55.93 1b75 s ASN 5 Cb -0.13 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 37.99 1b75 s ASN 5 CO 0.29 -0.82 0.32 0.00 -2.79 0.00 0.00 177.10 174.10 1b75 s ALA 6 N 2.65 0.81 0.11 1.71 0.00 -0.35 -4.65 121.76 122.04 1b75 s ALA 6 Ca 0.69 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 1b75 s ALA 6 Cb -0.36 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1b75 s ALA 6 CO 0.29 -0.71 0.32 -2.00 0.00 0.00 0.00 175.76 173.66 1b75 s GLU 7 N -3.78 0.99 -0.11 0.00 2.56 -1.25 -3.49 118.70 113.61 1b75 s GLU 7 Ca 0.33 -0.82 -0.06 0.00 0.00 0.00 0.00 54.97 54.42 1b75 s GLU 7 Cb 0.03 0.42 -0.23 0.00 2.00 0.00 0.00 34.13 36.34 1b75 s GLU 7 CO 0.15 -0.36 3.27 1.33 -0.56 0.00 0.00 175.26 179.10 1b75 n VAL 8 N -0.16 2.79 -3.64 3.70 0.24 -1.26 -2.97 118.33 117.03 1b75 n VAL 8 Ca -0.15 -1.43 -0.29 0.00 -2.04 0.00 0.00 64.34 60.43 1b75 n VAL 8 Cb 0.63 -1.99 0.05 0.00 -1.47 0.00 0.00 33.84 31.05 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 2.64 -1.47 -3.00 7.34 0.63 -1.26 -4.94 116.66 116.60 1b75 n ARG 9 Ca 0.41 0.51 -0.15 0.00 -0.92 0.00 0.00 57.85 57.69 1b75 n ARG 9 Cb 0.78 -4.35 0.01 0.00 0.45 0.00 0.00 32.46 29.35 1b75 n ARG 9 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1b75 n LYS 10 N -4.09 0.90 -2.66 -0.14 0.00 -1.26 -4.91 118.16 106.01 1b75 n LYS 10 Ca -0.10 -2.70 -0.36 0.00 0.00 0.00 0.00 58.31 55.15 1b75 n LYS 10 Cb 0.60 -1.39 -0.05 0.00 0.00 0.00 0.00 35.03 34.19 1b75 n LYS 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b75 s GLU 11 N -0.96 4.32 2.00 1.64 -1.05 -1.26 -4.81 118.70 118.58 1b75 s GLU 11 Ca 0.33 1.41 0.00 0.00 -0.15 0.00 0.00 54.97 56.56 1b75 s GLU 11 Cb 0.28 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 31.37 1b75 s GLU 11 CO -0.10 0.02 0.00 0.94 0.95 0.00 0.00 175.26 177.07 1b75 n GLN 12 N 0.10 0.00 -2.32 -4.83 0.00 -1.26 -3.02 117.38 106.05 1b75 n GLN 12 Ca 0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.64 1b75 n GLN 12 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.71 1b75 n GLN 12 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1b75 s GLY 13 N -5.35 3.02 0.00 1.69 0.00 -1.26 -4.26 107.32 101.15 1b75 s GLY 13 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1b75 s GLY 13 CO 0.00 1.65 0.00 1.17 0.00 0.00 0.00 173.10 175.92 1b75 n LYS 14 N 0.92 0.00 0.00 2.90 4.81 -1.26 -4.58 118.16 120.95 1b75 n LYS 14 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1b75 n LYS 14 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 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 0.00 3.38 3.78 3.14 0.00 -1.24 -4.92 105.19 109.33 1b75 n GLY 15 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 3.00 0.22 4.61 0.00 -1.17 -4.96 121.76 123.46 1b75 s ALA 16 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 1b75 s ALA 16 Cb 0.00 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.84 1b75 s ALA 16 CO 0.00 -0.46 0.85 0.45 0.00 0.00 0.00 175.76 176.60 1b75 s SER 17 N -1.50 -0.19 -1.40 0.00 0.15 -1.26 -4.88 113.70 104.61 1b75 s SER 17 Ca 0.62 -0.55 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 1b75 s SER 17 Cb -0.25 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1b75 s SER 17 CO 0.30 -1.14 0.61 0.54 1.20 0.00 0.00 173.24 174.75 1b75 n ARG 18 N -0.48 -4.14 0.02 5.44 1.74 -1.26 -4.64 116.66 113.34 1b75 n ARG 18 Ca -0.05 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1b75 n ARG 18 Cb 0.60 -4.91 0.00 0.00 -1.02 0.00 0.00 32.46 27.13 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 -4.38 0.00 0.24 5.56 0.63 -1.26 -5.00 116.66 112.45 1b75 n ARG 19 Ca -0.25 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.81 1b75 n ARG 19 Cb 0.66 0.00 0.76 0.00 0.45 0.00 0.00 32.46 34.33 1b75 n ARG 19 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1b75 h LEU 20 N 0.00 0.00 -6.27 6.15 8.10 -1.82 -3.33 115.31 118.13 1b75 h LEU 20 Ca 0.00 0.00 -0.68 0.00 0.11 0.00 0.00 57.88 57.31 1b75 h LEU 20 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1b75 h LEU 20 CO 0.00 0.00 2.77 -1.14 -4.11 0.00 0.00 178.44 175.96 1b75 n ARG 21 N -4.19 2.37 0.16 0.17 0.63 -1.26 -3.27 116.66 111.26 1b75 n ARG 21 Ca -0.01 -2.36 0.00 0.00 -0.92 0.00 0.00 57.85 54.56 1b75 n ARG 21 Cb 0.17 -3.18 0.00 0.00 0.45 0.00 0.00 32.46 29.90 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 6.83 0.00 0.02 5.13 0.00 -1.25 -5.09 120.51 126.15 1b75 n ALA 22 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1b75 n ALA 22 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.25 0.00 -1.64 0.00 0.00 -1.20 -5.09 120.51 109.33 1b75 n ALA 23 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1b75 n ALA 23 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.10 5.11 0.41 0.00 2.47 -1.26 -4.39 114.94 116.18 1b75 s ASN 24 Ca 0.00 1.48 0.00 0.00 0.42 0.00 0.00 52.86 54.76 1b75 s ASN 24 Cb 0.00 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1b75 s ASN 24 CO 0.00 -2.30 0.00 0.29 -3.72 0.00 0.00 177.10 171.37 1b75 n LYS 25 N 8.85 -2.51 -3.58 0.43 4.76 -1.26 -4.38 118.16 120.47 1b75 n LYS 25 Ca 0.31 1.99 -0.16 0.00 -2.87 0.00 0.00 58.31 57.58 1b75 n LYS 25 Cb 0.49 -2.65 -0.07 0.00 -1.84 0.00 0.00 35.03 30.97 1b75 n LYS 25 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1b75 s PHE 26 N -4.44 -0.66 0.52 2.13 -0.71 -0.87 -4.56 117.98 109.40 1b75 s PHE 26 Ca 0.00 1.29 -0.18 0.00 -1.04 0.00 0.00 56.93 57.00 1b75 s PHE 26 Cb 0.00 0.34 -0.07 0.00 -1.21 0.00 0.00 43.02 42.08 1b75 s PHE 26 CO 0.00 -0.52 1.03 -1.25 -1.34 0.00 0.00 175.22 173.15 1b75 s PRO 27 N -0.70 3.70 0.15 1.99 0.04 -1.26 -1.24 135.00 137.68 1b75 s PRO 27 Ca -0.08 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 1b75 s PRO 27 Cb -0.02 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1b75 s PRO 27 CO 0.07 -0.50 0.22 0.00 0.04 0.00 0.00 177.00 176.82 1b75 s ALA 28 N -2.22 0.26 0.02 8.56 0.00 -0.34 -4.20 121.76 123.83 1b75 s ALA 28 Ca 0.65 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1b75 s ALA 28 Cb -0.15 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1b75 s ALA 28 CO 0.26 -0.60 -0.12 0.42 0.00 0.00 0.00 175.76 175.73 1b75 s ILE 29 N -3.99 0.91 -0.43 0.00 1.01 -0.63 -0.97 121.20 117.09 1b75 s ILE 29 Ca 0.19 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1b75 s ILE 29 Cb 0.05 -0.80 0.10 0.00 0.01 0.00 0.00 42.46 41.81 1b75 s ILE 29 CO 0.00 0.08 0.27 -0.63 0.00 0.00 0.00 174.94 174.67 1b75 s ILE 30 N -0.59 4.05 0.80 2.92 1.01 -0.67 -1.15 121.20 127.57 1b75 s ILE 30 Ca 0.02 -1.62 -0.12 0.00 0.00 0.00 0.00 60.65 58.93 1b75 s ILE 30 Cb -0.06 -3.57 0.07 0.00 0.01 0.00 0.00 42.46 38.91 1b75 s ILE 30 CO 0.00 -0.61 1.14 -0.31 0.00 0.00 0.00 174.94 175.17 1b75 s TYR 31 N 1.36 2.96 0.00 3.97 1.51 0.19 -3.36 117.35 123.98 1b75 s TYR 31 Ca 0.04 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.99 1b75 s TYR 31 Cb -0.24 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.28 1b75 s TYR 31 CO 0.00 -1.72 0.00 0.41 -1.11 0.00 0.00 175.55 173.13 1b75 n GLY 32 N -2.94 -1.91 0.00 0.71 0.00 -1.26 -3.78 105.19 96.01 1b75 n GLY 32 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.78 -2.07 0.10 -0.02 0.00 -1.26 -4.93 105.19 96.23 1b75 n GLY 33 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 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 0.19 -6.52 1.61 3.64 -2.04 -3.42 116.57 110.04 1b75 h LYS 34 Ca 0.00 -0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.78 1b75 h LYS 34 Cb 0.00 -0.01 0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1b75 h LYS 34 CO 0.00 0.49 1.07 -1.21 -2.27 0.00 0.00 179.45 177.52 1b75 s GLU 35 N -4.80 4.15 0.72 1.90 2.02 -1.26 -4.98 118.70 116.46 1b75 s GLU 35 Ca -0.14 2.53 -0.16 0.00 0.02 0.00 0.00 54.97 57.22 1b75 s GLU 35 Cb 0.05 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.79 1b75 s GLU 35 CO 0.71 -0.80 1.24 0.00 0.02 0.00 0.00 175.26 176.43 1b75 s ALA 36 N 2.48 2.13 -1.16 5.21 0.00 -1.26 -4.31 121.76 124.85 1b75 s ALA 36 Ca 0.78 1.00 -0.22 0.00 0.00 0.00 0.00 51.96 53.51 1b75 s ALA 36 Cb -0.45 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.10 1b75 s ALA 36 CO 0.35 -1.90 1.90 -1.25 0.00 0.00 0.00 175.76 174.86 1b75 s PRO 37 N -3.78 2.70 0.64 0.00 0.04 -1.26 -4.86 135.00 128.48 1b75 s PRO 37 Ca 0.77 -1.15 -0.15 0.00 0.04 0.00 0.00 61.00 60.51 1b75 s PRO 37 Cb -0.32 -5.26 -0.01 0.00 0.04 0.00 0.00 34.50 28.95 1b75 s PRO 37 CO 0.45 -3.67 1.09 -0.48 0.04 0.00 0.00 177.00 174.42 1b75 s LEU 38 N 10.00 3.40 0.12 -3.56 -0.00 -1.21 -4.76 118.68 122.66 1b75 s LEU 38 Ca 0.66 1.90 0.04 0.00 -0.00 0.00 0.00 54.13 56.74 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 0.10 -1.47 0.09 0.00 -0.00 0.00 0.00 176.35 175.07 1b75 s ALA 39 N -2.45 3.53 0.21 1.48 0.00 -1.26 -1.66 121.76 121.61 1b75 s ALA 39 Ca 0.65 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1b75 s ALA 39 Cb -0.18 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1b75 s ALA 39 CO 0.41 0.63 0.24 0.96 0.00 0.00 0.00 175.76 178.00 1b75 s ILE 40 N -1.55 0.00 -0.11 0.00 -4.36 -0.14 -4.38 121.20 110.65 1b75 s ILE 40 Ca 0.30 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1b75 s ILE 40 Cb -0.11 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 1b75 s ILE 40 CO 0.22 0.00 -0.15 -1.61 0.24 0.00 0.00 174.94 173.65 1b75 s GLU 41 N -4.12 3.21 0.26 0.37 0.41 -1.16 -1.20 118.70 116.47 1b75 s GLU 41 Ca 0.34 -0.71 0.10 0.00 -0.41 0.00 0.00 54.97 54.29 1b75 s GLU 41 Cb 0.05 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 1b75 s GLU 41 CO 0.11 0.27 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.57 1b75 s LEU 42 N 0.18 2.98 -0.22 1.80 1.02 -0.37 -3.96 118.68 120.11 1b75 s LEU 42 Ca -0.08 -0.76 -0.16 0.00 0.02 0.00 0.00 54.13 53.15 1b75 s LEU 42 Cb -0.15 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.50 1b75 s LEU 42 CO 0.05 0.03 0.42 -0.62 0.02 0.00 0.00 176.35 176.25 1b75 s ASP 43 N -3.51 6.42 -1.52 2.29 2.15 -1.26 -2.04 116.67 119.20 1b75 s ASP 43 Ca 0.30 0.50 -0.13 0.00 0.43 0.00 0.00 52.55 53.65 1b75 s ASP 43 Cb -0.06 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1b75 s ASP 43 CO 0.18 -0.12 2.50 1.57 -0.17 0.00 0.00 175.17 179.12 1b75 n HIS 44 N 4.74 3.13 0.00 -5.34 -0.00 -1.26 -2.99 115.22 113.50 1b75 n HIS 44 Ca -0.08 -3.02 0.00 0.00 -0.00 0.00 0.00 57.72 54.62 1b75 n HIS 44 Cb 0.51 -2.54 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 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 5.18 0.00 -0.13 0.26 2.03 -1.26 -4.85 116.55 117.78 1b75 n ASP 45 Ca 0.62 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.84 1b75 n ASP 45 Cb 0.33 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.55 -0.05 -0.67 3.64 -2.00 -0.07 116.57 117.97 1b75 h LYS 46 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1b75 h LYS 46 Cb 0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1b75 h LYS 46 CO 0.00 0.43 0.02 0.28 -2.27 0.00 0.00 179.45 177.92 1b75 h VAL 47 N 0.52 1.11 -0.59 2.00 2.07 -1.92 -1.74 116.25 117.70 1b75 h VAL 47 Ca 0.14 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.45 1b75 h VAL 47 Cb 0.04 1.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 1b75 h VAL 47 CO -0.02 0.09 -0.19 -0.03 0.02 0.00 0.00 177.57 177.44 1b75 h MET 48 N -0.05 -0.04 -0.71 1.57 1.85 -1.61 0.23 114.93 116.16 1b75 h MET 48 Ca 0.02 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1b75 h MET 48 Cb 0.13 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1b75 h MET 48 CO -0.00 -0.03 0.47 -0.91 -0.40 0.00 0.00 176.91 176.04 1b75 h ASN 49 N -0.04 0.82 -0.08 1.39 2.35 -0.81 -1.31 115.58 117.89 1b75 h ASN 49 Ca 0.28 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1b75 h ASN 49 Cb 0.47 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1b75 h ASN 49 CO -0.63 0.60 -0.12 0.24 -1.65 0.00 0.00 177.43 175.86 1b75 h MET 50 N 0.97 0.41 0.38 0.81 2.86 -0.34 -3.33 114.93 116.69 1b75 h MET 50 Ca 0.26 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1b75 h MET 50 Cb -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1b75 h MET 50 CO -0.06 0.54 -0.18 1.96 1.06 0.00 0.00 176.91 180.23 1b75 h GLN 51 N 0.38 -0.49 0.00 1.72 4.20 0.50 -3.42 115.11 118.01 1b75 h GLN 51 Ca 0.07 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1b75 h GLN 51 Cb 0.45 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1b75 h GLN 51 CO 0.03 -0.32 0.00 0.00 -0.67 0.00 0.00 178.83 177.86 1b75 n ALA 52 N -2.49 0.00 -2.36 3.87 0.00 -0.78 -3.66 120.51 115.10 1b75 n ALA 52 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1b75 n ALA 52 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.12 0.00 0.00 -1.26 -4.77 118.16 112.01 1b75 n LYS 53 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 1b75 n LYS 53 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b75 h ALA 54 N 1.64 0.76 0.00 3.14 0.00 -2.01 -3.33 119.26 119.47 1b75 h ALA 54 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1b75 h ALA 54 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1b75 h ALA 54 CO 0.00 0.66 0.00 -1.91 0.00 0.00 0.00 179.25 178.00 1b75 n GLU 55 N -4.10 0.00 -0.22 0.00 2.13 -1.26 -1.67 120.64 115.52 1b75 n GLU 55 Ca -0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1b75 n GLU 55 Cb 0.46 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.10 1b75 n GLU 55 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1b75 h PHE 56 N 0.00 -1.18 0.00 4.31 3.57 -1.67 -2.09 116.94 119.88 1b75 h PHE 56 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1b75 h PHE 56 Cb 0.00 0.58 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1b75 h PHE 56 CO 0.00 -0.26 -0.35 0.10 -2.23 0.00 0.00 178.31 175.58 1b75 h TYR 57 N -0.07 0.00 0.56 0.41 -0.00 -1.61 -3.35 116.97 112.91 1b75 h TYR 57 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.79 1b75 h TYR 57 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.03 1b75 h TYR 57 CO -0.91 0.00 -0.27 0.77 -0.00 0.00 0.00 178.16 177.75 1b75 h SER 58 N 0.00 -0.64 -0.97 0.10 0.02 -1.00 -3.33 113.55 107.73 1b75 h SER 58 Ca 0.00 -0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 60.36 1b75 h SER 58 Cb 0.75 0.17 -0.29 0.00 0.14 0.00 0.00 62.40 63.17 1b75 h SER 58 CO 0.00 -0.36 0.71 -0.62 -1.14 0.00 0.00 176.83 175.42 1b75 n GLU 59 N -5.36 2.35 -0.92 3.45 1.02 -0.96 -5.03 120.64 115.20 1b75 n GLU 59 Ca -0.12 -3.00 0.04 0.00 -0.02 0.00 0.00 57.16 54.06 1b75 n GLU 59 Cb 0.33 -2.18 -0.02 0.00 -0.02 0.00 0.00 31.44 29.56 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 -1.01 -1.30 -4.27 2.62 0.31 -1.25 -4.33 118.33 109.09 1b75 n VAL 60 Ca 0.59 0.76 -0.15 0.00 -0.01 0.00 0.00 64.34 65.53 1b75 n VAL 60 Cb 1.31 -1.24 -0.10 0.00 -0.91 0.00 0.00 33.84 32.90 1b75 n VAL 60 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1b75 s LEU 61 N -5.03 2.43 -0.12 7.52 1.43 -0.34 -2.28 118.68 122.30 1b75 s LEU 61 Ca 0.00 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 51.99 1b75 s LEU 61 Cb 0.00 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.95 1b75 s LEU 61 CO 0.00 -0.38 0.20 -0.89 0.23 0.00 0.00 176.35 175.51 1b75 s THR 62 N -3.35 -0.31 -0.34 5.49 2.01 -0.78 -1.50 115.64 116.85 1b75 s THR 62 Ca 0.20 0.25 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 1b75 s THR 62 Cb 0.03 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1b75 s THR 62 CO 0.03 0.08 0.60 -0.63 -0.69 0.00 0.00 174.62 174.01 1b75 s ILE 63 N 2.33 4.93 -0.99 1.82 -1.09 -0.59 -1.28 121.20 126.34 1b75 s ILE 63 Ca 0.03 0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 58.83 1b75 s ILE 63 Cb -0.13 -4.03 0.11 0.00 -1.58 0.00 0.00 42.46 36.83 1b75 s ILE 63 CO -0.08 -0.25 1.27 -0.69 -1.23 0.00 0.00 174.94 173.97 1b75 s VAL 64 N 2.60 4.48 -0.51 2.92 1.01 -0.08 -1.16 120.40 129.65 1b75 s VAL 64 Ca 0.23 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 1b75 s VAL 64 Cb -0.15 -4.89 0.09 0.00 0.00 0.00 0.00 36.38 31.43 1b75 s VAL 64 CO 0.14 -1.67 0.50 0.54 0.00 0.00 0.00 175.10 174.61 1b75 s VAL 65 N 3.36 5.13 -1.17 2.92 0.11 -0.90 -1.21 120.40 128.64 1b75 s VAL 65 Ca 0.38 -1.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.13 1b75 s VAL 65 Cb -0.03 -4.26 -0.01 0.00 -1.53 0.00 0.00 36.38 30.55 1b75 s VAL 65 CO -0.08 -0.77 0.75 -0.67 -3.33 0.00 0.00 175.10 171.00 1b75 n ASP 66 N 5.49 -4.64 0.00 3.54 2.03 -1.23 -2.32 116.55 119.42 1b75 n ASP 66 Ca -0.12 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1b75 n ASP 66 Cb 0.43 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.51 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 -1.72 1.36 3.65 0.27 0.00 -1.26 -4.96 105.19 102.53 1b75 n GLY 67 Ca -0.12 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 4.09 -0.72 1.61 2.20 -0.98 -4.85 119.74 121.09 1b75 s LYS 68 Ca 0.00 2.26 -0.26 0.00 -0.36 0.00 0.00 55.97 57.61 1b75 s LYS 68 Cb 0.00 -4.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.27 1b75 s LYS 68 CO 0.00 -0.97 1.51 -1.21 -0.36 0.00 0.00 175.35 174.32 1b75 s GLU 69 N 4.32 3.00 -0.58 4.03 2.02 -1.26 -2.12 118.70 128.12 1b75 s GLU 69 Ca 0.79 -0.02 -0.24 0.00 0.02 0.00 0.00 54.97 55.53 1b75 s GLU 69 Cb -0.35 -4.36 0.05 0.00 0.10 0.00 0.00 34.13 29.57 1b75 s GLU 69 CO 0.33 -2.40 0.95 0.42 0.02 0.00 0.00 175.26 174.58 1b75 s ILE 70 N 6.97 4.37 0.03 -1.63 -1.09 -0.31 -4.94 121.20 124.60 1b75 s ILE 70 Ca 0.48 0.11 -0.30 0.00 -2.23 0.00 0.00 60.65 58.70 1b75 s ILE 70 Cb -0.09 -4.58 -0.06 0.00 -1.58 0.00 0.00 42.46 36.15 1b75 s ILE 70 CO 0.15 -1.21 1.43 -0.75 -1.23 0.00 0.00 174.94 173.33 1b75 s LYS 71 N 3.98 4.28 0.22 2.79 2.47 -1.26 -1.54 119.74 130.68 1b75 s LYS 71 Ca 0.28 2.02 0.03 0.00 -1.56 0.00 0.00 55.97 56.75 1b75 s LYS 71 Cb -0.14 -3.53 -0.05 0.00 -1.46 0.00 0.00 37.83 32.65 1b75 s LYS 71 CO 0.17 -0.57 0.00 0.14 0.16 0.00 0.00 175.35 175.24 1b75 s VAL 72 N 2.24 0.94 0.00 4.02 -7.23 -0.56 -1.43 120.40 118.37 1b75 s VAL 72 Ca 0.65 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1b75 s VAL 72 Cb -0.33 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1b75 s VAL 72 CO 0.28 -0.35 0.00 1.17 -0.31 0.00 0.00 175.10 175.89 1b75 n LYS 73 N -0.38 2.28 0.00 4.82 3.00 -0.24 -1.19 118.16 126.45 1b75 n LYS 73 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1b75 n LYS 73 Cb 0.64 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.90 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 -1.18 0.00 0.13 3.14 0.00 -1.20 -4.74 120.51 116.67 1b75 n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b75 n ALA 74 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.06 0.00 -4.15 0.00 0.00 -1.00 -4.33 117.38 107.84 1b75 n GLN 75 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.83 1b75 n GLN 75 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.12 1b75 n GLN 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1b75 s ASP 76 N -4.30 1.49 -0.32 1.69 1.01 -1.01 -5.06 116.67 110.17 1b75 s ASP 76 Ca 0.00 -0.60 -0.01 0.00 0.71 0.00 0.00 52.55 52.64 1b75 s ASP 76 Cb 0.00 -0.03 0.11 0.00 1.01 0.00 0.00 42.92 44.01 1b75 s ASP 76 CO 0.00 -0.11 0.13 0.68 0.21 0.00 0.00 175.17 176.08 1b75 s VAL 77 N -1.30 0.60 -1.42 -1.27 -7.23 -1.26 -1.32 120.40 107.19 1b75 s VAL 77 Ca -0.04 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1b75 s VAL 77 Cb -0.10 -1.46 0.06 0.00 0.56 0.00 0.00 36.38 35.44 1b75 s VAL 77 CO 0.02 -0.73 2.25 1.67 -0.31 0.00 0.00 175.10 178.00 1b75 n GLN 78 N 4.80 3.36 -1.61 4.82 -0.06 -0.65 -4.89 117.38 123.15 1b75 n GLN 78 Ca -0.01 -2.89 -0.04 0.00 -2.00 0.00 0.00 57.00 52.06 1b75 n GLN 78 Cb 0.41 -3.05 0.01 0.00 -4.06 0.00 0.00 30.24 23.55 1b75 n GLN 78 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1b75 n ARG 79 N 4.68 1.08 -3.69 3.69 1.85 -1.26 -1.88 116.66 121.13 1b75 n ARG 79 Ca 0.53 -0.64 -0.11 0.00 -1.00 0.00 0.00 57.85 56.63 1b75 n ARG 79 Cb 0.35 -0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.65 1b75 n ARG 79 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1b75 s HIS 80 N -0.03 -0.65 -0.07 2.89 2.46 -1.26 -4.81 115.29 113.81 1b75 s HIS 80 Ca 0.10 1.40 -0.12 0.00 0.47 0.00 0.00 55.06 56.91 1b75 s HIS 80 Cb -0.01 0.30 -0.08 0.00 -0.13 0.00 0.00 32.58 32.66 1b75 s HIS 80 CO 0.06 -0.35 0.44 -1.00 -2.47 0.00 0.00 174.74 171.43 1b75 h PRO 81 N 6.75 -0.20 0.29 2.88 0.13 -1.99 -3.40 132.00 136.45 1b75 h PRO 81 Ca -0.34 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1b75 h PRO 81 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1b75 h PRO 81 CO 0.26 0.03 -0.14 1.88 -0.23 0.00 0.00 178.00 179.80 1b75 h TYR 82 N -1.02 -0.36 -3.72 1.56 0.05 -1.99 -3.41 116.97 108.09 1b75 h TYR 82 Ca -0.02 -0.01 -0.49 0.00 0.05 0.00 0.00 58.73 58.26 1b75 h TYR 82 Cb 0.33 0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.16 1b75 h TYR 82 CO 0.04 -0.22 0.17 -1.59 -1.05 0.00 0.00 178.16 175.52 1b75 s LYS 83 N -3.13 4.25 0.47 4.88 -2.85 -1.26 -5.08 119.74 117.02 1b75 s LYS 83 Ca -0.06 0.93 -0.20 0.00 -1.00 0.00 0.00 55.97 55.65 1b75 s LYS 83 Cb 0.01 -2.69 -0.09 0.00 -2.06 0.00 0.00 37.83 32.99 1b75 s LYS 83 CO 0.17 0.27 0.98 -1.25 0.10 0.00 0.00 175.35 175.63 1b75 s PRO 84 N -2.35 4.02 0.24 1.78 0.04 -1.26 -4.54 135.00 132.93 1b75 s PRO 84 Ca 0.49 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1b75 s PRO 84 Cb -0.15 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1b75 s PRO 84 CO 0.20 -0.22 0.00 1.17 0.04 0.00 0.00 177.00 178.19 1b75 n LYS 85 N -0.94 0.00 -3.09 4.56 3.00 -1.26 -4.99 118.16 115.43 1b75 n LYS 85 Ca 0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.20 1b75 n LYS 85 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.58 1b75 n LYS 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1b75 n LEU 86 N -2.98 -6.03 -0.04 3.14 4.77 -1.26 -4.95 117.00 109.65 1b75 n LEU 86 Ca 0.00 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1b75 n LEU 86 Cb 0.00 -2.79 -0.08 0.00 -2.33 0.00 0.00 43.42 38.22 1b75 n LEU 86 CO 0.00 -1.49 0.59 1.56 -1.33 0.00 0.00 177.39 176.71 1b75 h GLN 87 N 1.91 0.26 -2.87 3.23 4.20 -1.73 -3.47 115.11 116.64 1b75 h GLN 87 Ca -0.20 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.37 1b75 h GLN 87 Cb 1.14 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.81 1b75 h GLN 87 CO 0.22 0.70 0.26 -1.58 -0.67 0.00 0.00 178.83 177.76 1b75 s HIS 88 N -4.18 -0.47 -0.01 2.96 5.04 -1.21 -4.64 115.29 112.79 1b75 s HIS 88 Ca -0.15 0.25 0.01 0.00 -1.54 0.00 0.00 55.06 53.64 1b75 s HIS 88 Cb 0.04 0.57 0.00 0.00 0.04 0.00 0.00 32.58 33.23 1b75 s HIS 88 CO 0.74 -0.84 -0.05 0.42 -2.34 0.00 0.00 174.74 172.68 1b75 s ILE 89 N -3.66 0.38 -0.49 0.89 -1.09 -1.26 -1.64 121.20 114.33 1b75 s ILE 89 Ca 0.03 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1b75 s ILE 89 Cb -0.01 -0.34 0.12 0.00 -1.58 0.00 0.00 42.46 40.65 1b75 s ILE 89 CO -0.10 0.12 0.22 -1.81 -1.23 0.00 0.00 174.94 172.14 1b75 s ASP 90 N 0.03 4.40 0.41 3.58 1.11 -0.43 -1.61 116.67 124.15 1b75 s ASP 90 Ca 0.00 -2.87 -0.13 0.00 0.18 0.00 0.00 52.55 49.74 1b75 s ASP 90 Cb -0.04 -1.64 -0.07 0.00 1.07 0.00 0.00 42.92 42.24 1b75 s ASP 90 CO -0.00 -0.26 0.80 -0.36 1.18 0.00 0.00 175.17 176.53 1b75 s PHE 91 N -0.09 3.44 -0.00 4.23 0.08 -0.30 -2.37 117.98 122.98 1b75 s PHE 91 Ca 0.16 1.16 0.03 0.00 0.12 0.00 0.00 56.93 58.40 1b75 s PHE 91 Cb -0.25 -2.53 -0.01 0.00 -0.57 0.00 0.00 43.02 39.67 1b75 s PHE 91 CO -0.01 -0.11 -0.09 0.08 -0.10 0.00 0.00 175.22 174.98 1b75 s VAL 92 N -2.33 0.72 0.42 -0.44 1.01 -1.26 -0.63 120.40 117.88 1b75 s VAL 92 Ca 0.53 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 1b75 s VAL 92 Cb -0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 1b75 s VAL 92 CO 0.28 0.17 1.30 -0.13 0.00 0.00 0.00 175.10 176.73 1b75 s ARG 93 N -0.30 3.90 0.00 2.72 3.00 -1.25 -1.08 118.95 125.94 1b75 s ARG 93 Ca 0.03 2.15 0.24 0.00 0.00 0.00 0.00 55.73 58.15 1b75 s ARG 93 Cb -0.04 -2.71 1.42 0.00 0.00 0.00 0.00 34.95 33.63 1b75 s ARG 93 CO -0.00 -0.55 1.79 0.00 0.00 0.00 0.00 175.30 176.54