#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da3 s SER 2 N 0.00 5.15 -0.00 1.61 1.04 -1.26 -5.08 113.70 115.16 2da3 s SER 2 Ca 0.00 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 2da3 s SER 2 Cb 0.00 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 2da3 s SER 2 CO 0.00 -1.23 -0.03 -1.54 0.98 0.00 0.00 173.24 171.42 2da3 n SER 3 N -2.14 0.39 0.00 7.02 3.41 -1.26 -5.02 113.62 116.02 2da3 n SER 3 Ca 0.13 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2da3 n SER 3 Cb 0.61 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2da3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da3 n GLY 4 N 2.96 1.29 3.69 5.00 0.00 -1.26 -4.91 105.19 111.96 2da3 n GLY 4 Ca -0.04 -0.02 -0.62 0.00 0.00 0.00 0.00 46.02 45.34 2da3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2da3 n SER 5 N 3.20 1.79 -3.77 1.61 2.88 -1.26 -4.93 113.62 113.13 2da3 n SER 5 Ca 0.00 1.08 -0.13 0.00 -1.33 0.00 0.00 58.87 58.49 2da3 n SER 5 Cb 0.00 -1.02 -0.11 0.00 -0.75 0.00 0.00 64.21 62.33 2da3 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2da3 s SER 6 N 3.61 -0.29 1.35 -3.46 0.01 -1.26 -5.17 113.70 108.50 2da3 s SER 6 Ca 1.03 0.54 -0.22 0.00 1.31 0.00 0.00 55.95 58.61 2da3 s SER 6 Cb -1.27 0.57 0.34 0.00 0.21 0.00 0.00 66.02 65.87 2da3 s SER 6 CO 0.72 -0.14 1.00 -0.83 0.41 0.00 0.00 173.24 174.40 2da3 s GLY 7 N -0.00 1.48 0.00 3.44 0.00 -1.26 -5.06 107.32 105.92 2da3 s GLY 7 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2da3 s GLY 7 CO 0.01 0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.80 2da3 n GLY 8 N 0.52 2.77 3.61 0.20 0.00 -1.26 -5.17 105.19 105.86 2da3 n GLY 8 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 2da3 n GLY 8 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2da3 s THR 9 N 1.85 -0.07 0.06 2.61 -1.32 -1.26 -5.07 115.64 112.44 2da3 s THR 9 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2da3 s THR 9 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2da3 s THR 9 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2da3 n GLY 10 N 3.85 -0.73 1.17 6.08 0.00 -1.26 -5.14 105.19 109.16 2da3 n GLY 10 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2da3 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2da3 n GLY 11 N -1.17 -3.73 3.54 -0.02 0.00 -1.26 -4.90 105.19 97.65 2da3 n GLY 11 Ca 0.00 -0.50 -0.48 0.00 0.00 0.00 0.00 46.02 45.04 2da3 n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2da3 n GLU 12 N 0.45 0.89 -2.51 1.61 4.71 -1.26 -4.93 120.64 119.60 2da3 n GLU 12 Ca 0.00 0.31 -0.32 0.00 -0.01 0.00 0.00 57.16 57.15 2da3 n GLU 12 Cb 0.00 -1.67 -0.03 0.00 -1.01 0.00 0.00 31.44 28.72 2da3 n GLU 12 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2da3 s GLU 13 N -0.80 3.89 -0.01 3.49 0.41 -1.26 -5.01 118.70 119.41 2da3 s GLU 13 Ca 0.69 0.81 -0.30 0.00 -0.41 0.00 0.00 54.97 55.76 2da3 s GLU 13 Cb -0.86 -2.20 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 2da3 s GLU 13 CO 0.55 -0.21 1.46 -1.25 -0.49 0.00 0.00 175.26 175.32 2da3 s PRO 14 N -4.04 4.25 -0.17 0.39 0.04 -1.26 -4.94 135.00 129.27 2da3 s PRO 14 Ca 0.57 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.45 2da3 s PRO 14 Cb -0.10 -3.65 -0.14 0.00 0.04 0.00 0.00 34.50 30.65 2da3 s PRO 14 CO 0.32 -0.65 0.16 1.96 0.04 0.00 0.00 177.00 178.84 2da3 h GLN 15 N 8.18 0.00 -5.71 4.56 4.20 -2.05 -3.44 115.11 120.85 2da3 h GLN 15 Ca -0.38 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 57.92 2da3 h GLN 15 Cb 1.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2da3 h GLN 15 CO 0.92 0.63 1.30 0.50 -0.67 0.00 0.00 178.83 181.52 2da3 s ARG 16 N -2.24 2.24 0.06 1.46 3.52 -1.26 -4.94 118.95 117.79 2da3 s ARG 16 Ca -0.21 0.92 -0.12 0.00 -0.13 0.00 0.00 55.73 56.19 2da3 s ARG 16 Cb 0.03 -4.58 -0.06 0.00 -1.56 0.00 0.00 34.95 28.78 2da3 s ARG 16 CO 0.45 -3.25 0.42 0.16 -0.81 0.00 0.00 175.30 172.27 2da3 s ASP 17 N 10.44 6.72 0.12 -2.12 1.47 -1.26 -5.00 116.67 127.04 2da3 s ASP 17 Ca 0.85 0.89 0.00 0.00 1.18 0.00 0.00 52.55 55.47 2da3 s ASP 17 Cb -0.14 -2.22 0.00 0.00 -0.34 0.00 0.00 42.92 40.22 2da3 s ASP 17 CO 0.20 0.22 0.00 0.29 0.68 0.00 0.00 175.17 176.56 2da3 n LYS 18 N 1.22 0.00 -3.58 2.11 4.76 -1.26 -5.03 118.16 116.38 2da3 n LYS 18 Ca -0.10 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.95 2da3 n LYS 18 Cb 0.52 -0.32 -0.11 0.00 -1.84 0.00 0.00 35.03 33.29 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2da3 s ARG 19 N -1.81 3.68 -0.04 1.97 3.52 -1.26 -5.06 118.95 119.95 2da3 s ARG 19 Ca 0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 2da3 s ARG 19 Cb 0.00 -3.70 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2da3 s ARG 19 CO 0.00 -0.32 0.04 -1.17 -0.81 0.00 0.00 175.30 173.04 2da3 s LEU 20 N 1.72 0.40 0.70 -0.88 1.98 -1.26 -5.13 118.68 116.21 2da3 s LEU 20 Ca 0.06 0.04 -0.17 0.00 -2.89 0.00 0.00 54.13 51.17 2da3 s LEU 20 Cb -0.17 -0.20 -0.11 0.00 0.66 0.00 0.00 46.19 46.38 2da3 s LEU 20 CO 0.10 -0.22 -0.05 0.54 -1.89 0.00 0.00 176.35 174.83 2da3 n ARG 21 N 5.07 0.10 -0.08 1.98 5.12 -1.26 -4.91 116.66 122.69 2da3 n ARG 21 Ca -0.08 0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 55.81 2da3 n ARG 21 Cb 0.50 -1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 2da3 n ARG 21 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2da3 n THR 22 N -2.07 1.44 -0.46 0.55 -2.24 -1.26 -4.54 114.28 105.69 2da3 n THR 22 Ca 0.06 0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.77 2da3 n THR 22 Cb 0.50 -2.35 0.20 0.00 -2.10 0.00 0.00 70.33 66.59 2da3 n THR 22 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2da3 n THR 23 N -4.57 0.00 -4.28 4.28 -2.24 -1.26 -4.92 114.28 101.29 2da3 n THR 23 Ca -0.11 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 2da3 n THR 23 Cb 0.36 -0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 67.82 2da3 n THR 23 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2da3 s ILE 24 N -2.14 3.44 0.17 2.28 1.01 -1.26 -5.00 121.20 119.71 2da3 s ILE 24 Ca 0.51 -1.80 0.07 0.00 0.00 0.00 0.00 60.65 59.43 2da3 s ILE 24 Cb -0.10 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2da3 s ILE 24 CO 0.48 -0.29 0.03 0.42 0.00 0.00 0.00 174.94 175.58 2da3 s THR 25 N -2.13 3.92 -0.63 2.92 -4.23 -1.26 -5.01 115.64 109.22 2da3 s THR 25 Ca 0.30 -1.33 0.21 0.00 -1.18 0.00 0.00 61.69 59.68 2da3 s THR 25 Cb -0.07 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 71.00 2da3 s THR 25 CO 0.19 -0.11 1.63 -0.81 -0.54 0.00 0.00 174.62 174.98 2da3 n PRO 26 N -0.17 0.14 0.01 3.99 -0.04 -1.26 -1.99 135.00 135.67 2da3 n PRO 26 Ca -0.09 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 2da3 n PRO 26 Cb 0.55 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 2da3 n PRO 26 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2da3 n GLU 27 N -2.02 0.18 -0.10 0.54 1.02 -1.26 -4.35 120.64 114.65 2da3 n GLU 27 Ca 0.02 -0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2da3 n GLU 27 Cb 0.21 -1.54 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 2da3 n GLU 27 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2da3 n GLN 28 N -1.75 0.65 -0.24 3.49 6.02 -0.88 -4.50 117.38 120.17 2da3 n GLN 28 Ca 0.03 0.27 -0.07 0.00 -0.01 0.00 0.00 57.00 57.21 2da3 n GLN 28 Cb 0.40 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 2da3 n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2da3 h LEU 29 N -0.39 -1.46 -0.70 1.08 3.38 -1.60 -1.27 115.31 114.34 2da3 h LEU 29 Ca -0.54 0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.75 2da3 h LEU 29 Cb 1.77 0.68 -0.09 0.00 0.09 0.00 0.00 40.66 43.11 2da3 h LEU 29 CO -0.16 -0.32 -0.38 -0.62 0.09 0.00 0.00 178.44 177.06 2da3 n GLU 30 N -5.41 -0.27 -0.28 1.13 -0.58 -1.26 0.19 120.64 114.16 2da3 n GLU 30 Ca 0.03 1.07 0.03 0.00 -0.42 0.00 0.00 57.16 57.87 2da3 n GLU 30 Cb 0.35 -1.57 0.17 0.00 -0.57 0.00 0.00 31.44 29.82 2da3 n GLU 30 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2da3 h ILE 31 N 0.00 0.85 -0.04 -3.67 2.04 -1.48 0.54 117.51 115.75 2da3 h ILE 31 Ca 0.15 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2da3 h ILE 31 Cb 0.32 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2da3 h ILE 31 CO -0.67 0.13 0.02 -0.07 0.00 0.00 0.00 178.15 177.55 2da3 h LEU 32 N 0.70 0.05 -0.51 1.44 3.38 0.23 -2.04 115.31 118.57 2da3 h LEU 32 Ca 0.40 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2da3 h LEU 32 Cb 0.43 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2da3 h LEU 32 CO -0.28 0.20 0.31 1.88 0.09 0.00 0.00 178.44 180.64 2da3 h TYR 33 N -0.09 0.57 -0.89 1.13 0.05 0.14 0.47 116.97 118.35 2da3 h TYR 33 Ca 0.01 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.86 2da3 h TYR 33 Cb 0.16 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 2da3 h TYR 33 CO -0.02 0.33 0.58 1.96 -1.05 0.00 0.00 178.16 179.96 2da3 h GLN 34 N 0.61 1.03 -0.00 4.88 1.08 -0.80 0.20 115.11 122.11 2da3 h GLN 34 Ca 0.20 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 2da3 h GLN 34 Cb 0.01 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 2da3 h GLN 34 CO -0.09 0.68 -0.77 0.87 -0.95 0.00 0.00 178.83 178.58 2da3 h LYS 35 N 1.06 0.03 0.05 1.46 1.79 -0.69 -3.12 116.57 117.15 2da3 h LYS 35 Ca 0.37 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2da3 h LYS 35 Cb 0.10 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2da3 h LYS 35 CO -0.12 0.78 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.08 2da3 h TYR 36 N 0.02 -0.06 -0.97 -1.35 5.03 0.19 0.33 116.97 120.16 2da3 h TYR 36 Ca -0.01 -0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.50 2da3 h TYR 36 Cb 1.35 0.02 -0.11 0.00 1.55 0.00 0.00 36.73 39.54 2da3 h TYR 36 CO 0.00 0.56 0.55 -0.07 -1.32 0.00 0.00 178.16 177.88 2da3 h LEU 37 N -0.76 0.67 0.03 2.82 3.38 -0.73 -0.34 115.31 120.37 2da3 h LEU 37 Ca -0.01 0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.81 2da3 h LEU 37 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2da3 h LEU 37 CO 0.01 0.20 -1.44 0.17 0.09 0.00 0.00 178.44 177.46 2da3 h LEU 38 N 0.66 0.10 -6.44 1.67 8.10 -1.59 -3.44 115.31 114.37 2da3 h LEU 38 Ca 0.57 -0.15 -0.20 0.00 0.11 0.00 0.00 57.88 58.21 2da3 h LEU 38 Cb 0.95 -0.03 -0.30 0.00 -0.44 0.00 0.00 40.66 40.83 2da3 h LEU 38 CO -0.42 1.13 -0.53 -0.62 -4.11 0.00 0.00 178.44 173.89 2da3 s ASP 39 N -6.53 0.59 0.00 0.17 -1.08 0.11 -4.99 116.67 104.95 2da3 s ASP 39 Ca -0.04 -0.16 0.17 0.00 -0.52 0.00 0.00 52.55 51.99 2da3 s ASP 39 Cb 0.08 0.97 0.30 0.00 -1.46 0.00 0.00 42.92 42.81 2da3 s ASP 39 CO 0.83 -0.33 1.22 -1.54 0.52 0.00 0.00 175.17 175.86 2da3 n SER 40 N 5.35 2.93 -2.53 -0.34 3.41 -0.73 -3.50 113.62 118.21 2da3 n SER 40 Ca -0.02 -1.86 -0.18 0.00 -0.26 0.00 0.00 58.87 56.55 2da3 n SER 40 Cb 0.49 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2da3 n SER 40 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2da3 n ASN 41 N 1.03 3.34 -3.91 4.04 3.02 -1.26 -4.95 115.26 116.57 2da3 n ASN 41 Ca 0.14 -3.24 -0.30 0.00 -0.03 0.00 0.00 54.58 51.15 2da3 n ASN 41 Cb 0.48 -0.48 0.23 0.00 -0.61 0.00 0.00 39.78 39.41 2da3 n ASN 41 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2da3 s PRO 42 N -3.41 -1.06 0.24 3.52 0.04 -1.26 -5.08 135.00 127.99 2da3 s PRO 42 Ca 0.39 -0.01 0.11 0.00 0.04 0.00 0.00 61.00 61.53 2da3 s PRO 42 Cb 0.42 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 33.30 2da3 s PRO 42 CO -0.08 -3.62 -0.15 -0.08 0.04 0.00 0.00 177.00 173.12 2da3 s THR 43 N -3.00 2.78 0.23 1.26 -1.32 -1.26 -4.95 115.64 109.39 2da3 s THR 43 Ca 0.70 -2.10 0.04 0.00 -1.21 0.00 0.00 61.69 59.11 2da3 s THR 43 Cb -0.11 -2.43 0.30 0.00 -1.51 0.00 0.00 72.50 68.75 2da3 s THR 43 CO 0.56 -0.29 1.15 -1.14 -2.21 0.00 0.00 174.62 172.69 2da3 n ARG 44 N -0.40 -0.06 0.02 7.08 3.00 -1.26 0.12 116.66 125.17 2da3 n ARG 44 Ca -0.08 1.09 -0.10 0.00 -0.00 0.00 0.00 57.85 58.76 2da3 n ARG 44 Cb 0.58 -1.76 -0.04 0.00 0.00 0.00 0.00 32.46 31.24 2da3 n ARG 44 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2da3 h LYS 45 N 0.00 -0.33 0.71 -0.14 1.63 -2.00 -1.59 116.57 114.86 2da3 h LYS 45 Ca 0.47 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.26 2da3 h LYS 45 Cb 1.03 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2da3 h LYS 45 CO -0.67 -0.22 -0.34 0.52 -3.45 0.00 0.00 179.45 175.29 2da3 h MET 46 N -0.34 -0.92 -1.00 1.90 2.86 0.52 -2.47 114.93 115.48 2da3 h MET 46 Ca 0.09 0.06 0.37 0.00 -2.06 0.00 0.00 59.70 58.16 2da3 h MET 46 Cb 0.47 0.21 -0.17 0.00 0.06 0.00 0.00 31.60 32.17 2da3 h MET 46 CO -0.28 -0.61 0.52 -0.07 1.06 0.00 0.00 176.91 177.53 2da3 h LEU 47 N -0.97 0.36 -0.11 1.22 3.38 -1.10 0.56 115.31 118.65 2da3 h LEU 47 Ca -0.10 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2da3 h LEU 47 Cb 0.74 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2da3 h LEU 47 CO 0.16 -0.30 0.01 -0.78 0.09 0.00 0.00 178.44 177.62 2da3 h ASP 48 N 0.14 0.19 0.76 -0.43 1.82 -0.94 -1.91 116.42 116.04 2da3 h ASP 48 Ca 0.78 -0.28 -0.04 0.00 -0.39 0.00 0.00 57.03 57.10 2da3 h ASP 48 Cb 1.94 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 41.90 2da3 h ASP 48 CO -0.71 0.42 -0.36 -0.74 -1.61 0.00 0.00 179.24 176.24 2da3 h HIS 49 N -0.06 -0.95 -0.68 0.28 2.76 0.41 -1.77 115.15 115.14 2da3 h HIS 49 Ca 0.03 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.33 2da3 h HIS 49 Cb 0.32 0.31 -0.12 0.00 1.55 0.00 0.00 27.41 29.47 2da3 h HIS 49 CO 0.02 -0.57 -0.05 0.82 -1.30 0.00 0.00 177.93 176.85 2da3 h ILE 50 N -1.16 0.38 0.00 6.26 2.04 -0.80 0.87 117.51 125.10 2da3 h ILE 50 Ca -0.10 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2da3 h ILE 50 Cb 0.80 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2da3 h ILE 50 CO 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 178.15 178.29 2da3 h ALA 51 N 1.65 1.13 0.22 1.87 0.00 -1.29 -0.33 119.26 122.50 2da3 h ALA 51 Ca 0.35 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.90 2da3 h ALA 51 Cb 0.59 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.40 2da3 h ALA 51 CO -0.63 0.05 -1.45 1.25 0.00 0.00 0.00 179.25 178.48 2da3 h HIS 52 N 0.00 0.83 0.01 0.00 -0.00 0.16 -1.88 115.15 114.27 2da3 h HIS 52 Ca -0.00 -0.61 -0.23 0.00 -0.00 0.00 0.00 60.37 59.53 2da3 h HIS 52 Cb 0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2da3 h HIS 52 CO 0.00 1.50 -0.96 1.05 -0.00 0.00 0.00 177.93 179.52 2da3 h GLU 53 N 0.12 0.39 0.00 5.26 4.11 -0.53 -3.21 114.58 120.73 2da3 h GLU 53 Ca -0.23 -0.43 -0.11 0.00 0.07 0.00 0.00 59.36 58.65 2da3 h GLU 53 Cb 2.12 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.48 2da3 h GLU 53 CO 0.25 1.11 -0.53 0.28 0.07 0.00 0.00 179.01 180.19 2da3 h VAL 54 N 0.21 1.01 -0.63 -1.06 2.07 -1.18 -3.48 116.25 113.19 2da3 h VAL 54 Ca -0.08 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 2da3 h VAL 54 Cb 1.60 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 2da3 h VAL 54 CO 0.16 0.52 -0.01 0.61 0.02 0.00 0.00 177.57 178.87 2da3 n GLY 55 N 0.84 0.66 3.17 2.17 0.00 -0.84 -4.91 105.19 106.28 2da3 n GLY 55 Ca 0.01 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2da3 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2da3 s LEU 56 N -0.69 2.10 -0.21 0.99 2.96 -0.77 -4.99 118.68 118.08 2da3 s LEU 56 Ca 0.01 -0.39 -0.39 0.00 -0.22 0.00 0.00 54.13 53.14 2da3 s LEU 56 Cb -0.00 -0.80 -0.18 0.00 0.50 0.00 0.00 46.19 45.70 2da3 s LEU 56 CO 0.01 0.14 1.18 0.29 -1.32 0.00 0.00 176.35 176.65 2da3 n LYS 57 N 2.26 0.00 -0.30 1.98 4.76 -1.26 -4.60 118.16 120.99 2da3 n LYS 57 Ca -0.16 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.38 2da3 n LYS 57 Cb 0.54 -1.33 0.27 0.00 -1.84 0.00 0.00 35.03 32.66 2da3 n LYS 57 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2da3 h LYS 58 N 3.51 0.50 0.54 1.97 3.11 -1.90 -0.96 116.57 123.34 2da3 h LYS 58 Ca -0.42 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.36 2da3 h LYS 58 Cb 1.25 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2da3 h LYS 58 CO 0.72 0.33 -0.28 -0.09 -2.81 0.00 0.00 179.45 177.32 2da3 h ARG 59 N 0.52 -0.73 -0.88 1.90 9.65 -1.94 0.40 114.38 123.30 2da3 h ARG 59 Ca 0.51 0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.60 2da3 h ARG 59 Cb 0.85 0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 29.53 2da3 h ARG 59 CO -0.44 -0.48 0.57 0.28 2.80 0.00 0.00 179.97 182.69 2da3 h VAL 60 N -0.75 0.80 -0.03 0.20 2.07 -1.67 0.45 116.25 117.31 2da3 h VAL 60 Ca -0.07 -0.21 -0.26 0.00 0.82 0.00 0.00 66.70 66.98 2da3 h VAL 60 Cb 0.59 0.13 0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2da3 h VAL 60 CO 0.10 0.11 -1.00 0.58 0.02 0.00 0.00 177.57 177.38 2da3 h VAL 61 N 0.61 1.28 -0.39 2.57 2.07 -0.80 -1.72 116.25 119.86 2da3 h VAL 61 Ca 0.45 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 2da3 h VAL 61 Cb 0.82 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 2da3 h VAL 61 CO -0.20 0.68 0.17 -0.61 0.02 0.00 0.00 177.57 177.64 2da3 h GLN 62 N 0.42 0.58 -0.26 1.57 4.15 0.11 -3.06 115.11 118.62 2da3 h GLN 62 Ca -0.12 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.09 2da3 h GLN 62 Cb 1.65 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.24 2da3 h GLN 62 CO 0.20 0.53 -0.30 0.28 -1.93 0.00 0.00 178.83 177.61 2da3 h VAL 63 N 0.49 1.31 -0.94 2.39 2.07 -1.04 -2.99 116.25 117.54 2da3 h VAL 63 Ca 0.13 -1.47 0.27 0.00 0.82 0.00 0.00 66.70 66.45 2da3 h VAL 63 Cb 0.15 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2da3 h VAL 63 CO -0.01 0.47 0.90 -0.25 0.02 0.00 0.00 177.57 178.70 2da3 h TRP 64 N 0.39 0.00 0.00 1.57 7.01 -1.20 0.20 115.95 123.91 2da3 h TRP 64 Ca 0.04 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2da3 h TRP 64 Cb 0.87 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.92 2da3 h TRP 64 CO 0.08 0.00 -0.13 0.74 -2.79 0.00 0.00 178.44 176.34 2da3 h PHE 65 N 0.00 0.00 -0.05 2.65 -1.00 -1.49 -3.10 116.94 113.95 2da3 h PHE 65 Ca 0.45 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.24 2da3 h PHE 65 Cb 2.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.81 2da3 h PHE 65 CO 0.00 0.95 0.04 -0.56 -1.61 0.00 0.00 178.31 177.13 2da3 h GLN 66 N -1.00 0.00 -0.25 1.51 3.07 -0.73 -1.52 115.11 116.18 2da3 h GLN 66 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.51 2da3 h GLN 66 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 2da3 h GLN 66 CO -0.02 0.00 -0.61 -0.91 0.09 0.00 0.00 178.83 177.38 2da3 h ASN 67 N 0.00 0.96 0.19 0.06 2.35 -1.01 -3.06 115.58 115.07 2da3 h ASN 67 Ca 0.02 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.22 2da3 h ASN 67 Cb 0.10 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2da3 h ASN 67 CO -0.00 1.35 -0.09 0.74 -1.65 0.00 0.00 177.43 177.78 2da3 h THR 68 N 0.63 0.92 -0.79 2.81 2.02 -1.23 -3.04 112.91 114.23 2da3 h THR 68 Ca -0.00 -0.77 0.19 0.00 0.77 0.00 0.00 66.41 66.59 2da3 h THR 68 Cb 1.23 1.36 -0.13 0.00 -1.74 0.00 0.00 68.15 68.86 2da3 h THR 68 CO 0.13 0.17 0.09 0.03 0.37 0.00 0.00 175.52 176.31 2da3 h ARG 69 N -0.65 0.15 -0.80 6.66 2.47 -1.40 0.47 114.38 121.28 2da3 h ARG 69 Ca -0.03 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.74 2da3 h ARG 69 Cb 0.47 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.71 2da3 h ARG 69 CO 0.04 0.10 0.52 0.00 0.56 0.00 0.00 179.97 181.19 2da3 h ALA 70 N 1.71 1.60 0.10 0.04 0.00 -1.53 -0.14 119.26 121.04 2da3 h ALA 70 Ca 0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2da3 h ALA 70 Cb 0.82 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2da3 h ALA 70 CO -0.64 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 178.85 2da3 h ARG 71 N 0.90 -0.13 -0.62 0.00 3.08 -0.03 -0.53 114.38 117.05 2da3 h ARG 71 Ca 0.34 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.47 2da3 h ARG 71 Cb 0.18 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 2da3 h ARG 71 CO -0.11 0.33 0.31 0.93 -1.07 0.00 0.00 179.97 180.36 2da3 h GLU 72 N -0.66 0.54 -0.46 0.04 4.39 -0.77 -2.14 114.58 115.52 2da3 h GLU 72 Ca -0.01 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2da3 h GLU 72 Cb 0.52 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2da3 h GLU 72 CO 0.02 0.36 -0.17 0.07 -1.16 0.00 0.00 179.01 178.13 2da3 h ARG 73 N 0.56 0.93 -6.16 2.33 0.11 -1.07 -3.45 114.38 107.62 2da3 h ARG 73 Ca 0.29 -0.38 -0.56 0.00 0.10 0.00 0.00 59.98 59.43 2da3 h ARG 73 Cb 0.26 -0.04 0.21 0.00 1.11 0.00 0.00 29.97 31.51 2da3 h ARG 73 CO -0.22 1.04 -1.36 1.17 0.10 0.00 0.00 179.97 180.70 2da3 n LYS 74 N -4.19 0.01 -1.86 0.08 4.81 -0.21 -4.96 118.16 111.85 2da3 n LYS 74 Ca -0.00 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.15 2da3 n LYS 74 Cb 0.43 -1.19 0.20 0.00 0.02 0.00 0.00 35.03 34.48 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2da3 s SER 75 N -1.16 2.84 -0.13 3.14 1.04 -1.26 -5.00 113.70 113.18 2da3 s SER 75 Ca 0.49 0.27 -0.10 0.00 0.48 0.00 0.00 55.95 57.09 2da3 s SER 75 Cb -0.29 -0.30 0.04 0.00 0.10 0.00 0.00 66.02 65.58 2da3 s SER 75 CO 0.74 -2.90 0.33 -0.83 0.98 0.00 0.00 173.24 171.55 2da3 s GLY 76 N -4.83 -0.24 0.00 7.32 0.00 -1.26 -5.01 107.32 103.29 2da3 s GLY 76 Ca 0.74 1.08 0.12 0.00 0.00 0.00 0.00 44.72 46.67 2da3 s GLY 76 CO 0.53 1.09 1.17 -1.55 0.00 0.00 0.00 173.10 174.35 2da3 n PRO 77 N 3.48 0.49 -0.27 2.90 -0.04 -1.26 -4.07 135.00 136.22 2da3 n PRO 77 Ca -0.18 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.30 2da3 n PRO 77 Cb 0.56 -1.40 0.06 0.00 -0.04 0.00 0.00 33.50 32.68 2da3 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2da3 n SER 78 N -0.90 -0.39 -3.95 3.54 2.88 -1.26 -4.76 113.62 108.78 2da3 n SER 78 Ca 0.09 1.27 -0.27 0.00 -1.33 0.00 0.00 58.87 58.63 2da3 n SER 78 Cb 0.04 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 2da3 n SER 78 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2da3 n SER 79 N -5.12 -1.57 0.00 -3.46 2.88 -1.26 -5.36 113.62 99.74 2da3 n SER 79 Ca 0.09 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2da3 n SER 79 Cb 0.32 -3.29 0.00 0.00 -0.75 0.00 0.00 64.21 60.49 2da3 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42