#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da3 n SER 2 N 0.00 -4.25 -0.30 1.61 2.88 -1.26 -4.88 113.62 107.41 2da3 n SER 2 Ca 0.00 -0.63 0.03 0.00 -1.33 0.00 0.00 58.87 56.94 2da3 n SER 2 Cb 0.00 -4.77 0.18 0.00 -0.75 0.00 0.00 64.21 58.87 2da3 n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2da3 h SER 3 N -2.28 0.72 0.00 -3.46 4.64 -2.07 -3.48 113.55 107.61 2da3 h SER 3 Ca -0.58 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2da3 h SER 3 Cb 1.36 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2da3 h SER 3 CO 0.56 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 2da3 n GLY 4 N -1.32 0.35 3.70 -0.77 0.00 -1.26 -5.04 105.19 100.86 2da3 n GLY 4 Ca 0.14 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2da3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2da3 n SER 5 N 0.00 3.90 0.04 1.61 3.41 -1.26 -4.86 113.62 116.45 2da3 n SER 5 Ca 0.00 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2da3 n SER 5 Cb 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.41 2da3 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2da3 n SER 6 N 4.60 0.32 0.00 4.04 7.64 -1.26 -5.04 113.62 123.92 2da3 n SER 6 Ca 0.17 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2da3 n SER 6 Cb 0.35 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2da3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2da3 n GLY 7 N 2.70 0.53 0.00 0.23 0.00 -1.26 -4.32 105.19 103.06 2da3 n GLY 7 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2da3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2da3 n GLY 8 N 0.00 -0.65 2.13 -0.02 0.00 -1.26 -5.06 105.19 100.33 2da3 n GLY 8 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2da3 n GLY 8 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2da3 n THR 9 N 0.00 2.87 -2.73 2.61 5.66 -1.26 -5.00 114.28 116.43 2da3 n THR 9 Ca 0.00 -3.86 -0.43 0.00 -3.05 0.00 0.00 64.05 56.71 2da3 n THR 9 Cb 0.00 -1.15 -0.03 0.00 -1.55 0.00 0.00 70.33 67.60 2da3 n THR 9 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2da3 s GLY 10 N -3.04 1.40 0.00 1.09 0.00 -1.26 -5.00 107.32 100.51 2da3 s GLY 10 Ca 0.55 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.60 2da3 s GLY 10 CO 0.01 2.20 0.00 0.61 0.00 0.00 0.00 173.10 175.92 2da3 n GLY 11 N 4.91 0.86 2.92 0.20 0.00 -1.26 -5.07 105.19 107.74 2da3 n GLY 11 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2da3 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2da3 s GLU 12 N 0.20 0.70 0.05 1.61 2.12 -1.26 -5.15 118.70 116.98 2da3 s GLU 12 Ca 0.00 -0.14 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 2da3 s GLU 12 Cb 0.00 -0.71 -0.06 0.00 0.26 0.00 0.00 34.13 33.62 2da3 s GLU 12 CO 0.00 -0.01 0.39 -1.83 -0.54 0.00 0.00 175.26 173.27 2da3 s GLU 13 N 0.57 3.78 0.60 4.30 1.03 -1.26 -5.08 118.70 122.64 2da3 s GLU 13 Ca -0.07 0.21 -0.17 0.00 0.03 0.00 0.00 54.97 54.96 2da3 s GLU 13 Cb -0.11 -3.05 -0.03 0.00 -0.80 0.00 0.00 34.13 30.14 2da3 s GLU 13 CO 0.00 0.60 1.12 -1.25 -1.33 0.00 0.00 175.26 174.40 2da3 s PRO 14 N -1.70 3.09 -0.99 -4.83 0.04 -1.26 -4.91 135.00 124.43 2da3 s PRO 14 Ca 0.30 1.50 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 2da3 s PRO 14 Cb -0.14 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2da3 s PRO 14 CO 0.17 -1.04 1.89 1.14 0.04 0.00 0.00 177.00 179.19 2da3 s GLN 15 N -3.68 2.69 0.28 4.56 -2.07 -1.26 -4.84 119.66 115.34 2da3 s GLN 15 Ca 0.70 -0.64 -0.21 0.00 -1.82 0.00 0.00 55.36 53.39 2da3 s GLN 15 Cb -0.22 -5.15 0.02 0.00 -1.09 0.00 0.00 33.01 26.57 2da3 s GLN 15 CO 0.34 -3.37 0.74 -0.98 -1.32 0.00 0.00 175.29 170.70 2da3 s ARG 16 N 6.58 1.77 -0.32 9.60 1.70 -1.26 -5.07 118.95 131.95 2da3 s ARG 16 Ca 0.67 -0.99 0.09 0.00 -0.47 0.00 0.00 55.73 55.03 2da3 s ARG 16 Cb -0.04 0.60 0.46 0.00 -0.57 0.00 0.00 34.95 35.39 2da3 s ARG 16 CO 0.02 -0.81 1.15 -0.40 -1.08 0.00 0.00 175.30 174.18 2da3 n ASP 17 N -0.51 4.31 -1.95 -2.89 5.75 -1.26 -4.70 116.55 115.30 2da3 n ASP 17 Ca -0.04 -3.49 -0.15 0.00 -0.01 0.00 0.00 54.79 51.10 2da3 n ASP 17 Cb 0.59 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 2da3 n ASP 17 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2da3 n LYS 18 N -0.61 1.79 -3.63 0.11 5.02 -1.26 -4.76 118.16 114.82 2da3 n LYS 18 Ca 0.37 -1.37 -0.04 0.00 -2.02 0.00 0.00 58.31 55.25 2da3 n LYS 18 Cb 0.87 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2da3 s ARG 19 N -1.15 0.56 -0.26 1.97 6.06 -1.26 -5.14 118.95 119.72 2da3 s ARG 19 Ca 0.35 1.01 -0.02 0.00 -2.50 0.00 0.00 55.73 54.57 2da3 s ARG 19 Cb 0.23 0.19 0.15 0.00 0.06 0.00 0.00 34.95 35.58 2da3 s ARG 19 CO -0.05 -0.13 0.42 -0.51 -2.50 0.00 0.00 175.30 172.54 2da3 s LEU 20 N 1.67 -0.78 0.02 -0.88 1.43 -1.24 -4.24 118.68 114.66 2da3 s LEU 20 Ca -0.09 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2da3 s LEU 20 Cb -0.05 1.28 -0.01 0.00 0.03 0.00 0.00 46.19 47.43 2da3 s LEU 20 CO -0.18 -0.30 0.05 -0.13 0.23 0.00 0.00 176.35 176.02 2da3 s ARG 21 N 2.59 0.47 0.01 1.70 1.81 -1.26 -4.98 118.95 119.29 2da3 s ARG 21 Ca 0.13 -0.66 -0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2da3 s ARG 21 Cb -0.15 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.52 2da3 s ARG 21 CO -0.19 -0.10 1.05 1.15 -0.68 0.00 0.00 175.30 176.52 2da3 h THR 22 N 4.09 0.00 -1.76 0.02 2.02 -1.99 -3.36 112.91 111.93 2da3 h THR 22 Ca -0.32 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 2da3 h THR 22 Cb 1.19 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 67.70 2da3 h THR 22 CO 0.46 0.00 -0.08 0.35 0.37 0.00 0.00 175.52 176.62 2da3 n THR 23 N -2.39 0.00 -4.38 3.16 -2.24 -1.26 -4.83 114.28 102.35 2da3 n THR 23 Ca -0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2da3 n THR 23 Cb 0.05 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.78 2.11 0.18 2.28 1.01 -1.26 -4.95 121.20 118.78 2da3 s ILE 24 Ca 0.29 -1.89 0.06 0.00 0.00 0.00 0.00 60.65 59.11 2da3 s ILE 24 Cb -0.05 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2da3 s ILE 24 CO 0.25 -0.13 0.10 0.42 0.00 0.00 0.00 174.94 175.57 2da3 s THR 25 N -1.61 4.24 -0.65 2.92 -4.23 -1.26 -5.01 115.64 110.04 2da3 s THR 25 Ca 0.16 -1.22 0.20 0.00 -1.18 0.00 0.00 61.69 59.65 2da3 s THR 25 Cb -0.08 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.80 2da3 s THR 25 CO 0.08 -0.13 1.62 -0.81 -0.54 0.00 0.00 174.62 174.84 2da3 n PRO 26 N -0.36 0.13 0.03 3.99 -0.04 -1.26 -1.83 135.00 135.66 2da3 n PRO 26 Ca -0.09 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2da3 n PRO 26 Cb 0.55 -1.75 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.99 0.61 -0.06 0.54 1.02 -1.26 -4.38 120.64 115.13 2da3 n GLU 27 Ca 0.02 -0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.87 2da3 n GLU 27 Cb 0.20 -1.62 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 2da3 n GLU 27 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2da3 h GLN 28 N 0.00 0.10 -0.92 3.49 4.20 -1.83 -3.39 115.11 116.76 2da3 h GLN 28 Ca 0.00 -0.18 0.14 0.00 0.06 0.00 0.00 58.65 58.67 2da3 h GLN 28 Cb 0.98 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.68 2da3 h GLN 28 CO 0.00 1.09 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.77 2da3 h LEU 29 N -0.60 -1.49 -0.71 1.46 3.38 -1.57 -0.23 115.31 115.55 2da3 h LEU 29 Ca -0.37 0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2da3 h LEU 29 Cb 1.58 0.75 -0.09 0.00 0.09 0.00 0.00 40.66 42.99 2da3 h LEU 29 CO -0.09 -0.29 -0.37 -0.62 0.09 0.00 0.00 178.44 177.15 2da3 n GLU 30 N -5.44 -0.27 -0.33 1.13 1.02 -1.26 0.22 120.64 115.70 2da3 n GLU 30 Ca 0.08 1.08 0.06 0.00 -0.02 0.00 0.00 57.16 58.35 2da3 n GLU 30 Cb 0.38 -1.59 0.21 0.00 -0.02 0.00 0.00 31.44 30.42 2da3 n GLU 30 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2da3 h ILE 31 N 0.00 0.91 -0.21 -3.67 2.04 -1.27 -0.09 117.51 115.22 2da3 h ILE 31 Ca 0.15 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2da3 h ILE 31 Cb 0.33 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2da3 h ILE 31 CO -0.68 0.16 0.03 -0.07 0.00 0.00 0.00 178.15 177.59 2da3 h LEU 32 N 0.90 0.33 -0.39 1.44 3.38 0.28 -1.85 115.31 119.41 2da3 h LEU 32 Ca 0.46 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2da3 h LEU 32 Cb 0.45 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2da3 h LEU 32 CO -0.26 0.52 0.24 1.88 0.09 0.00 0.00 178.44 180.91 2da3 h TYR 33 N 0.14 0.45 -0.99 1.13 0.05 0.30 0.13 116.97 118.18 2da3 h TYR 33 Ca 0.06 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.86 2da3 h TYR 33 Cb 0.33 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 2da3 h TYR 33 CO 0.02 0.27 0.65 1.96 -1.05 0.00 0.00 178.16 180.01 2da3 h GLN 34 N 0.49 1.31 0.00 4.88 1.08 -0.98 0.98 115.11 122.87 2da3 h GLN 34 Ca 0.15 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2da3 h GLN 34 Cb -0.02 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.10 2da3 h GLN 34 CO -0.05 0.87 -0.38 0.87 -0.95 0.00 0.00 178.83 179.19 2da3 h LYS 35 N 1.34 0.00 0.03 1.46 1.79 -0.84 -3.01 116.57 117.34 2da3 h LYS 35 Ca 0.36 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.78 2da3 h LYS 35 Cb -0.14 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2da3 h LYS 35 CO -0.08 0.38 -0.22 -0.92 -1.08 0.00 0.00 179.45 177.53 2da3 h TYR 36 N 0.00 0.17 -0.82 -1.35 3.20 0.04 -0.07 116.97 118.14 2da3 h TYR 36 Ca -0.00 -0.11 0.15 0.00 3.14 0.00 0.00 58.73 61.91 2da3 h TYR 36 Cb 0.87 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.07 2da3 h TYR 36 CO 0.00 1.03 0.54 -0.07 -1.64 0.00 0.00 178.16 178.02 2da3 h LEU 37 N -0.74 0.48 0.05 2.82 3.38 -0.87 -1.21 115.31 119.22 2da3 h LEU 37 Ca -0.04 0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2da3 h LEU 37 Cb 1.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2da3 h LEU 37 CO 0.04 0.24 -1.65 0.17 0.09 0.00 0.00 178.44 177.33 2da3 h LEU 38 N 0.50 0.15 -6.74 1.67 8.10 -1.60 -3.45 115.31 113.94 2da3 h LEU 38 Ca 0.41 -0.27 -0.37 0.00 0.11 0.00 0.00 57.88 57.76 2da3 h LEU 38 Cb 0.85 -0.05 -0.36 0.00 -0.44 0.00 0.00 40.66 40.66 2da3 h LEU 38 CO -0.15 1.24 -0.67 -1.81 -4.11 0.00 0.00 178.44 172.94 2da3 s ASP 39 N -6.50 1.90 0.00 0.17 1.01 -0.04 -4.98 116.67 108.23 2da3 s ASP 39 Ca -0.08 -0.57 0.20 0.00 0.71 0.00 0.00 52.55 52.81 2da3 s ASP 39 Cb 0.08 0.24 0.12 0.00 1.01 0.00 0.00 42.92 44.36 2da3 s ASP 39 CO 0.82 -0.36 1.10 -1.20 0.21 0.00 0.00 175.17 175.74 2da3 n SER 40 N 5.30 2.49 -2.52 0.27 7.64 -0.96 -3.80 113.62 122.04 2da3 n SER 40 Ca -0.05 -1.74 -0.19 0.00 1.01 0.00 0.00 58.87 57.90 2da3 n SER 40 Cb 0.47 0.11 0.02 0.00 -1.01 0.00 0.00 64.21 63.80 2da3 n SER 40 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2da3 n ASN 41 N 0.86 3.40 -3.33 6.43 5.03 -1.26 -4.99 115.26 121.41 2da3 n ASN 41 Ca 0.11 -3.26 -0.23 0.00 0.87 0.00 0.00 54.58 52.07 2da3 n ASN 41 Cb 0.48 -0.47 0.20 0.00 -1.02 0.00 0.00 39.78 38.97 2da3 n ASN 41 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2da3 n PRO 42 N -0.37 -2.69 -4.34 3.52 -0.04 -1.26 -5.09 135.00 124.73 2da3 n PRO 42 Ca 0.27 -1.37 -0.17 0.00 -0.04 0.00 0.00 63.50 62.19 2da3 n PRO 42 Cb 0.76 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.83 2da3 n PRO 42 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2da3 s THR 43 N -2.55 1.07 0.34 0.52 -1.32 -1.26 -4.96 115.64 107.48 2da3 s THR 43 Ca 0.56 -2.04 0.18 0.00 -1.21 0.00 0.00 61.69 59.18 2da3 s THR 43 Cb -0.05 -2.36 0.33 0.00 -1.51 0.00 0.00 72.50 68.90 2da3 s THR 43 CO 0.43 -0.31 1.47 0.54 -2.21 0.00 0.00 174.62 174.53 2da3 n ARG 44 N -0.43 -0.06 0.01 7.08 3.00 -1.26 0.10 116.66 125.11 2da3 n ARG 44 Ca -0.05 1.29 -0.10 0.00 -0.01 0.00 0.00 57.85 58.97 2da3 n ARG 44 Cb 0.64 -2.30 -0.05 0.00 0.00 0.00 0.00 32.46 30.75 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 -0.03 -0.05 5.56 1.63 -1.99 0.26 116.57 121.96 2da3 h LYS 45 Ca 0.78 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.56 2da3 h LYS 45 Cb 2.03 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.67 2da3 h LYS 45 CO -0.73 -0.02 -0.04 0.52 -3.45 0.00 0.00 179.45 175.74 2da3 h MET 46 N -0.03 0.10 -0.72 1.90 2.86 0.31 -2.15 114.93 117.21 2da3 h MET 46 Ca 0.04 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2da3 h MET 46 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2da3 h MET 46 CO -0.10 0.54 0.47 -0.07 1.06 0.00 0.00 176.91 178.81 2da3 h LEU 47 N -0.33 0.55 -0.04 1.22 3.38 -0.74 0.25 115.31 119.60 2da3 h LEU 47 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2da3 h LEU 47 Cb 0.52 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2da3 h LEU 47 CO 0.01 0.33 -0.04 -0.78 0.09 0.00 0.00 178.44 178.05 2da3 h ASP 48 N 0.61 0.11 0.41 -0.43 3.58 -0.42 -2.37 116.42 117.91 2da3 h ASP 48 Ca 0.33 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2da3 h ASP 48 Cb 0.47 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2da3 h ASP 48 CO -0.11 0.59 -0.20 -0.74 -2.88 0.00 0.00 179.24 175.90 2da3 h HIS 49 N -0.37 -0.51 -0.56 0.28 2.76 -0.77 -1.93 115.15 114.05 2da3 h HIS 49 Ca 0.01 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 2da3 h HIS 49 Cb 0.56 0.17 -0.10 0.00 1.55 0.00 0.00 27.41 29.58 2da3 h HIS 49 CO 0.10 -0.22 -0.08 0.82 -1.30 0.00 0.00 177.93 177.24 2da3 h ILE 50 N -0.74 0.48 0.00 6.26 2.04 -0.64 0.53 117.51 125.44 2da3 h ILE 50 Ca -0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2da3 h ILE 50 Cb 0.52 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2da3 h ILE 50 CO 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.20 2da3 h ALA 51 N 1.54 1.14 0.15 1.87 0.00 -1.38 -0.06 119.26 122.53 2da3 h ALA 51 Ca 0.28 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 2da3 h ALA 51 Cb 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2da3 h ALA 51 CO -0.54 0.06 -1.29 1.25 0.00 0.00 0.00 179.25 178.73 2da3 h HIS 52 N 0.00 0.64 0.14 0.00 -0.00 0.80 -1.61 115.15 115.12 2da3 h HIS 52 Ca -0.00 -0.46 -0.28 0.00 -0.00 0.00 0.00 60.37 59.63 2da3 h HIS 52 Cb 0.25 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 27.65 2da3 h HIS 52 CO 0.00 1.35 -1.25 1.05 -0.00 0.00 0.00 177.93 179.08 2da3 h GLU 53 N 0.11 0.38 0.00 5.26 4.11 -0.46 -3.28 114.58 120.70 2da3 h GLU 53 Ca -0.16 -0.60 -0.12 0.00 0.07 0.00 0.00 59.36 58.55 2da3 h GLU 53 Cb 2.00 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.45 2da3 h GLU 53 CO 0.22 1.27 -0.59 0.28 0.07 0.00 0.00 179.01 180.25 2da3 h VAL 54 N 0.13 1.12 -0.60 -1.06 2.07 -1.13 -3.43 116.25 113.35 2da3 h VAL 54 Ca -0.16 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2da3 h VAL 54 Cb 1.95 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 2da3 h VAL 54 CO 0.22 0.58 0.00 0.61 0.02 0.00 0.00 177.57 179.00 2da3 n GLY 55 N 0.88 0.75 3.16 2.17 0.00 -0.68 -4.97 105.19 106.50 2da3 n GLY 55 Ca 0.01 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.60 1.99 -0.42 0.99 2.96 -0.73 -3.63 118.68 119.24 2da3 s LEU 56 Ca 0.00 -0.34 -0.40 0.00 -0.22 0.00 0.00 54.13 53.18 2da3 s LEU 56 Cb 0.00 -0.95 -0.17 0.00 0.50 0.00 0.00 46.19 45.58 2da3 s LEU 56 CO 0.00 0.19 1.38 0.29 -1.32 0.00 0.00 176.35 176.89 2da3 n LYS 57 N 2.84 0.00 -0.32 1.98 4.01 -1.26 -4.63 118.16 120.78 2da3 n LYS 57 Ca -0.16 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.74 2da3 n LYS 57 Cb 0.53 -1.27 0.21 0.00 -0.51 0.00 0.00 35.03 34.00 2da3 n LYS 57 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2da3 h LYS 58 N 4.42 0.03 0.40 1.97 3.11 -1.89 0.53 116.57 125.14 2da3 h LYS 58 Ca -0.35 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.48 2da3 h LYS 58 Cb 1.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.36 2da3 h LYS 58 CO 0.83 0.02 -0.45 -0.09 -2.81 0.00 0.00 179.45 176.95 2da3 h ARG 59 N 0.03 -0.84 -0.87 1.90 9.65 -1.93 0.54 114.38 122.85 2da3 h ARG 59 Ca 0.52 0.06 0.20 0.00 -1.10 0.00 0.00 59.98 59.65 2da3 h ARG 59 Cb 0.96 0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 29.67 2da3 h ARG 59 CO -0.89 -0.56 0.58 0.28 2.80 0.00 0.00 179.97 182.18 2da3 h VAL 60 N -0.88 0.69 0.04 0.20 2.07 -1.30 0.17 116.25 117.24 2da3 h VAL 60 Ca -0.04 -0.13 -0.24 0.00 0.82 0.00 0.00 66.70 67.11 2da3 h VAL 60 Cb 0.79 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2da3 h VAL 60 CO -0.09 0.07 -1.03 0.58 0.02 0.00 0.00 177.57 177.11 2da3 h VAL 61 N 0.38 1.41 0.13 2.57 2.07 -0.21 -2.21 116.25 120.39 2da3 h VAL 61 Ca 0.44 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 2da3 h VAL 61 Cb 1.14 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2da3 h VAL 61 CO -0.15 0.76 -0.06 -0.61 0.02 0.00 0.00 177.57 177.53 2da3 h GLN 62 N 0.21 -0.17 -0.13 1.57 4.15 0.23 -3.27 115.11 117.70 2da3 h GLN 62 Ca -0.10 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 2da3 h GLN 62 Cb 1.69 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.41 2da3 h GLN 62 CO 0.18 0.24 0.07 0.28 -1.93 0.00 0.00 178.83 177.66 2da3 h VAL 63 N -0.64 1.10 -1.06 2.39 2.07 -0.90 -2.31 116.25 116.90 2da3 h VAL 63 Ca -0.02 -0.28 0.31 0.00 0.82 0.00 0.00 66.70 67.53 2da3 h VAL 63 Cb 0.49 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2da3 h VAL 63 CO 0.03 0.09 1.12 -0.25 0.02 0.00 0.00 177.57 178.58 2da3 h TRP 64 N 0.10 0.00 0.00 1.57 7.01 -1.47 0.50 115.95 123.66 2da3 h TRP 64 Ca 0.04 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 2da3 h TRP 64 Cb 0.09 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2da3 h TRP 64 CO -0.04 0.00 -0.11 0.74 -2.79 0.00 0.00 178.44 176.25 2da3 h PHE 65 N 0.00 0.00 -0.08 2.65 -1.00 -1.47 -2.92 116.94 114.12 2da3 h PHE 65 Ca 0.50 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.31 2da3 h PHE 65 Cb 2.73 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.29 2da3 h PHE 65 CO 0.00 0.93 0.07 -0.56 -1.61 0.00 0.00 178.31 177.14 2da3 h GLN 66 N -1.00 0.00 -0.01 1.51 3.07 -0.05 -2.05 115.11 116.58 2da3 h GLN 66 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.58 2da3 h GLN 66 Cb 0.92 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.49 2da3 h GLN 66 CO -0.02 0.00 -0.51 -0.91 0.09 0.00 0.00 178.83 177.49 2da3 h ASN 67 N 0.00 0.47 -0.52 0.06 2.35 -1.17 -3.16 115.58 113.61 2da3 h ASN 67 Ca 0.04 -0.74 0.04 0.00 -0.55 0.00 0.00 56.30 55.09 2da3 h ASN 67 Cb 0.17 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 2da3 h ASN 67 CO -0.00 1.15 0.27 0.74 -1.65 0.00 0.00 177.43 177.94 2da3 h THR 68 N -0.16 0.97 -0.27 2.81 2.02 -1.18 -2.43 112.91 114.66 2da3 h THR 68 Ca -0.06 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 66.99 2da3 h THR 68 Cb 1.22 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2da3 h THR 68 CO 0.10 0.10 -0.05 0.03 0.37 0.00 0.00 175.52 176.06 2da3 h ARG 69 N 0.53 0.02 -0.85 6.66 3.08 -1.51 0.26 114.38 122.57 2da3 h ARG 69 Ca 0.22 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.38 2da3 h ARG 69 Cb 0.12 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.09 2da3 h ARG 69 CO -0.15 0.01 0.48 0.00 -1.07 0.00 0.00 179.97 179.24 2da3 h ALA 70 N 1.26 1.23 -0.24 0.04 0.00 -1.43 0.14 119.26 120.26 2da3 h ALA 70 Ca 0.13 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2da3 h ALA 70 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2da3 h ALA 70 CO -0.26 0.07 -0.38 0.00 0.00 0.00 0.00 179.25 178.67 2da3 h ARG 71 N 0.77 0.69 -0.78 0.00 3.08 -0.87 -1.29 114.38 115.98 2da3 h ARG 71 Ca 0.42 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2da3 h ARG 71 Cb 0.43 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 2da3 h ARG 71 CO -0.27 1.03 0.41 0.93 -1.07 0.00 0.00 179.97 181.00 2da3 h GLU 72 N 0.41 1.10 -0.27 0.04 4.39 0.26 -2.86 114.58 117.64 2da3 h GLU 72 Ca 0.02 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 2da3 h GLU 72 Cb 0.97 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2da3 h GLU 72 CO 0.09 0.83 -0.42 0.07 -1.16 0.00 0.00 179.01 178.41 2da3 h ARG 73 N 1.08 0.77 -5.25 2.33 0.11 -0.73 -3.44 114.38 109.25 2da3 h ARG 73 Ca 0.27 -0.46 -0.64 0.00 0.10 0.00 0.00 59.98 59.25 2da3 h ARG 73 Cb 0.07 0.04 -0.05 0.00 1.11 0.00 0.00 29.97 31.14 2da3 h ARG 73 CO -0.04 1.09 1.33 1.63 0.10 0.00 0.00 179.97 184.08 2da3 n LYS 74 N -4.14 0.00 -2.77 0.08 5.02 -0.49 -4.83 118.16 111.03 2da3 n LYS 74 Ca -0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 2da3 n LYS 74 Cb 0.56 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2da3 n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2da3 s SER 75 N 6.32 7.02 0.15 4.39 0.15 -1.26 -5.01 113.70 125.47 2da3 s SER 75 Ca 1.15 1.27 0.01 0.00 0.70 0.00 0.00 55.95 59.08 2da3 s SER 75 Cb -1.31 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 60.45 2da3 s SER 75 CO 0.56 -0.55 0.00 -0.83 1.20 0.00 0.00 173.24 173.62 2da3 s GLY 76 N 1.21 1.11 1.12 9.45 0.00 -1.26 -5.16 107.32 113.79 2da3 s GLY 76 Ca 0.41 -1.53 -0.16 0.00 0.00 0.00 0.00 44.72 43.44 2da3 s GLY 76 CO 0.09 -1.48 1.10 2.56 0.00 0.00 0.00 173.10 175.37 2da3 s PRO 77 N -3.93 -0.55 0.10 2.90 0.04 -1.26 -5.04 135.00 127.26 2da3 s PRO 77 Ca 0.22 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2da3 s PRO 77 Cb 0.06 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2da3 s PRO 77 CO 0.02 -3.31 0.00 0.43 0.04 0.00 0.00 177.00 174.18 2da3 n SER 78 N -4.52 0.43 -4.56 6.66 7.64 -1.26 -4.99 113.62 113.01 2da3 n SER 78 Ca 0.09 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 2da3 n SER 78 Cb 0.59 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2da3 n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2da3 s SER 79 N -5.42 6.37 0.00 6.43 0.01 -1.26 -5.38 113.70 114.45 2da3 s SER 79 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2da3 s SER 79 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2da3 s SER 79 CO 0.00 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.74