#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 6.34 -0.22 1.61 0.01 -1.26 -4.97 113.70 115.21 2da3 s SER 2 Ca 0.00 -1.62 -0.08 0.00 1.31 0.00 0.00 55.95 55.56 2da3 s SER 2 Cb 0.00 -2.34 0.10 0.00 0.21 0.00 0.00 66.02 63.99 2da3 s SER 2 CO 0.00 -1.11 0.47 -0.55 0.41 0.00 0.00 173.24 172.46 2da3 s SER 3 N 3.49 -0.46 -0.23 2.44 0.15 -1.26 -5.14 113.70 112.69 2da3 s SER 3 Ca 0.19 1.11 0.01 0.00 0.70 0.00 0.00 55.95 57.96 2da3 s SER 3 Cb -0.17 1.48 0.04 0.00 -1.71 0.00 0.00 66.02 65.66 2da3 s SER 3 CO 0.02 -0.23 -0.13 -0.83 1.20 0.00 0.00 173.24 173.28 2da3 s GLY 4 N 2.54 1.56 0.40 9.45 0.00 -1.26 -5.11 107.32 114.90 2da3 s GLY 4 Ca -0.03 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 2da3 s GLY 4 CO -0.14 0.47 0.71 -0.56 0.00 0.00 0.00 173.10 173.58 2da3 s SER 5 N 1.23 6.39 -0.00 1.64 0.01 -1.26 -5.02 113.70 116.69 2da3 s SER 5 Ca -0.01 0.92 -0.00 0.00 1.31 0.00 0.00 55.95 58.16 2da3 s SER 5 Cb -0.17 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 2da3 s SER 5 CO -0.08 -0.41 -0.00 -0.24 0.41 0.00 0.00 173.24 172.92 2da3 n SER 6 N -1.61 0.56 -3.64 2.44 2.88 -1.26 -5.12 113.62 107.88 2da3 n SER 6 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2da3 n SER 6 Cb 0.55 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2da3 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2da3 s GLY 7 N -4.87 0.09 0.00 0.46 0.00 -1.26 -5.12 107.32 96.62 2da3 s GLY 7 Ca -0.00 3.00 0.00 0.00 0.00 0.00 0.00 44.72 47.72 2da3 s GLY 7 CO 0.00 1.71 0.00 0.61 0.00 0.00 0.00 173.10 175.42 2da3 n GLY 8 N 1.57 0.87 2.97 0.20 0.00 -1.26 -5.06 105.19 104.48 2da3 n GLY 8 Ca -0.10 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.09 0.00 2.61 -1.32 -1.26 -5.13 115.64 111.63 2da3 s THR 9 Ca 0.00 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 2da3 s THR 9 Cb 0.00 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2da3 s THR 9 CO 0.00 0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 2da3 n GLY 10 N 4.30 4.76 2.77 6.08 0.00 -1.26 -4.98 105.19 116.85 2da3 n GLY 10 Ca -0.19 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -0.36 2.85 -0.02 0.00 -1.26 -5.04 105.19 101.36 2da3 n GLY 11 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.52 0.16 0.13 1.61 2.56 -1.26 -5.15 118.70 112.22 2da3 s GLU 12 Ca 0.16 0.44 0.07 0.00 0.00 0.00 0.00 54.97 55.64 2da3 s GLU 12 Cb -0.02 -0.67 -0.04 0.00 2.00 0.00 0.00 34.13 35.40 2da3 s GLU 12 CO 0.53 -0.48 -0.06 -1.21 -0.56 0.00 0.00 175.26 173.48 2da3 s GLU 13 N 2.36 2.23 0.85 4.30 0.41 -1.26 -5.12 118.70 122.45 2da3 s GLU 13 Ca 0.05 -1.07 -0.11 0.00 -0.41 0.00 0.00 54.97 53.43 2da3 s GLU 13 Cb -0.14 -2.32 0.10 0.00 -1.78 0.00 0.00 34.13 29.99 2da3 s GLU 13 CO -0.10 0.49 1.09 -1.25 -0.49 0.00 0.00 175.26 175.00 2da3 s PRO 14 N -2.51 1.67 0.26 0.39 0.04 -1.26 -4.87 135.00 128.71 2da3 s PRO 14 Ca 0.24 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.31 2da3 s PRO 14 Cb -0.10 -1.85 0.75 0.00 0.04 0.00 0.00 34.50 33.34 2da3 s PRO 14 CO 0.16 -2.00 1.21 0.94 0.04 0.00 0.00 177.00 177.35 2da3 n GLN 15 N -3.73 -0.06 -3.74 4.56 7.27 -1.26 -3.96 117.38 116.45 2da3 n GLN 15 Ca 0.08 1.12 -0.35 0.00 0.07 0.00 0.00 57.00 57.92 2da3 n GLN 15 Cb 0.54 -1.86 -0.08 0.00 2.41 0.00 0.00 30.24 31.25 2da3 n GLN 15 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2da3 s ARG 16 N -5.51 4.12 0.96 3.69 3.52 -1.26 -5.07 118.95 119.41 2da3 s ARG 16 Ca -0.09 -0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 2da3 s ARG 16 Cb 0.24 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 2da3 s ARG 16 CO 0.60 0.34 0.10 -0.40 -0.81 0.00 0.00 175.30 175.14 2da3 n ASP 17 N 3.39 -3.05 0.09 -2.12 5.75 -1.25 -4.97 116.55 114.38 2da3 n ASP 17 Ca -0.16 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 2da3 n ASP 17 Cb 0.52 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2da3 n ASP 17 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2da3 n LYS 18 N -0.68 0.00 -4.88 0.11 4.81 -1.26 -4.99 118.16 111.27 2da3 n LYS 18 Ca 0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 2da3 n LYS 18 Cb 0.54 -0.16 -0.17 0.00 0.02 0.00 0.00 35.03 35.27 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2da3 s ARG 19 N -2.00 2.72 0.37 1.64 6.06 -1.26 -4.71 118.95 121.77 2da3 s ARG 19 Ca 0.00 -0.76 0.06 0.00 -2.50 0.00 0.00 55.73 52.54 2da3 s ARG 19 Cb 0.00 -2.13 -0.00 0.00 0.06 0.00 0.00 34.95 32.87 2da3 s ARG 19 CO 0.00 0.08 0.52 -0.51 -2.50 0.00 0.00 175.30 172.89 2da3 s LEU 20 N 0.60 3.85 0.10 -0.88 1.02 -1.26 -5.13 118.68 116.97 2da3 s LEU 20 Ca -0.14 -0.20 0.06 0.00 0.02 0.00 0.00 54.13 53.87 2da3 s LEU 20 Cb -0.17 -2.76 -0.03 0.00 0.02 0.00 0.00 46.19 43.25 2da3 s LEU 20 CO 0.04 -0.56 -0.15 -0.13 0.02 0.00 0.00 176.35 175.58 2da3 s ARG 21 N -4.26 0.94 0.03 1.70 0.52 -1.26 -5.02 118.95 111.59 2da3 s ARG 21 Ca 0.48 -1.10 -0.20 0.00 -0.52 0.00 0.00 55.73 54.40 2da3 s ARG 21 Cb -0.10 -0.92 -0.17 0.00 0.52 0.00 0.00 34.95 34.29 2da3 s ARG 21 CO 0.32 0.19 1.26 0.00 0.02 0.00 0.00 175.30 177.09 2da3 h THR 22 N 3.94 1.38 -2.97 0.02 1.03 -2.00 -3.37 112.91 110.94 2da3 h THR 22 Ca -0.41 -1.62 -0.37 0.00 -0.01 0.00 0.00 66.41 64.00 2da3 h THR 22 Cb 1.19 2.12 0.22 0.00 -1.07 0.00 0.00 68.15 70.61 2da3 h THR 22 CO 0.44 0.48 -0.16 0.42 -0.01 0.00 0.00 175.52 176.69 2da3 s THR 23 N -3.88 1.03 0.12 0.00 -4.23 -1.26 -4.88 115.64 102.54 2da3 s THR 23 Ca -0.14 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.44 2da3 s THR 23 Cb 0.05 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2da3 s THR 23 CO 0.78 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 174.08 2da3 s ILE 24 N -2.16 1.47 0.17 2.99 1.01 -1.26 -4.96 121.20 118.47 2da3 s ILE 24 Ca 0.68 -1.70 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2da3 s ILE 24 Cb -0.12 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2da3 s ILE 24 CO 0.57 -0.33 0.14 0.42 0.00 0.00 0.00 174.94 175.74 2da3 s THR 25 N -1.91 4.45 -0.64 2.92 -4.23 -1.26 -5.00 115.64 109.97 2da3 s THR 25 Ca 0.09 -1.13 0.21 0.00 -1.18 0.00 0.00 61.69 59.68 2da3 s THR 25 Cb -0.06 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.70 2da3 s THR 25 CO 0.04 -0.13 1.63 -0.81 -0.54 0.00 0.00 174.62 174.81 2da3 n PRO 26 N -0.41 0.13 0.01 3.99 -0.04 -1.26 -1.94 135.00 135.49 2da3 n PRO 26 Ca -0.08 0.37 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2da3 n PRO 26 Cb 0.55 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.01 0.64 0.06 0.54 1.02 -1.26 -4.35 120.64 115.29 2da3 n GLU 27 Ca 0.02 -0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 2da3 n GLU 27 Cb 0.21 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.36 -0.52 3.49 4.20 -1.83 -3.38 115.11 117.43 2da3 h GLN 28 Ca -0.09 -0.62 0.10 0.00 0.06 0.00 0.00 58.65 58.10 2da3 h GLN 28 Cb 1.23 0.23 -0.11 0.00 0.30 0.00 0.00 27.48 29.13 2da3 h GLN 28 CO 0.01 1.29 -0.31 -0.07 -0.67 0.00 0.00 178.83 179.08 2da3 h LEU 29 N 0.10 -1.05 -0.72 1.46 3.38 -1.58 -1.27 115.31 115.63 2da3 h LEU 29 Ca -0.36 0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2da3 h LEU 29 Cb 2.08 0.52 -0.12 0.00 0.09 0.00 0.00 40.66 43.24 2da3 h LEU 29 CO 0.16 -0.30 -0.26 -0.62 0.09 0.00 0.00 178.44 177.51 2da3 n GLU 30 N -5.43 -0.14 -0.01 1.13 1.02 -1.26 0.12 120.64 116.07 2da3 n GLU 30 Ca 0.03 1.11 -0.10 0.00 -0.02 0.00 0.00 57.16 58.18 2da3 n GLU 30 Cb 0.34 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.88 -0.22 -3.67 2.04 -1.46 0.12 117.51 115.21 2da3 h ILE 31 Ca 0.27 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.16 2da3 h ILE 31 Cb 0.45 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2da3 h ILE 31 CO -0.72 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 177.42 2da3 h LEU 32 N -0.00 0.03 -0.24 1.44 3.38 0.10 -0.52 115.31 119.50 2da3 h LEU 32 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2da3 h LEU 32 Cb 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2da3 h LEU 32 CO -0.12 0.05 0.16 1.88 0.09 0.00 0.00 178.44 180.49 2da3 h TYR 33 N 0.14 0.30 -0.89 1.13 0.05 -0.28 0.34 116.97 117.77 2da3 h TYR 33 Ca 0.10 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.93 2da3 h TYR 33 Cb 0.08 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 2da3 h TYR 33 CO -0.14 0.19 0.58 1.96 -1.05 0.00 0.00 178.16 179.71 2da3 h GLN 34 N 0.32 1.04 -0.01 4.88 1.08 -0.46 0.21 115.11 122.16 2da3 h GLN 34 Ca 0.09 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 2da3 h GLN 34 Cb -0.03 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 2da3 h GLN 34 CO -0.02 0.69 -0.66 0.87 -0.95 0.00 0.00 178.83 178.75 2da3 h LYS 35 N 1.07 0.07 -0.01 1.46 1.79 -0.61 -2.97 116.57 117.36 2da3 h LYS 35 Ca 0.37 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.72 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 0.71 -0.24 -0.92 -1.08 0.00 0.00 179.45 177.79 2da3 h TYR 36 N 0.05 0.27 -0.84 -1.35 5.03 0.23 0.54 116.97 120.90 2da3 h TYR 36 Ca -0.01 -0.14 0.11 0.00 2.58 0.00 0.00 58.73 61.28 2da3 h TYR 36 Cb 1.18 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.37 2da3 h TYR 36 CO 0.01 0.92 0.54 -0.07 -1.32 0.00 0.00 178.16 178.24 2da3 h LEU 37 N -0.46 0.66 0.00 2.82 3.38 -0.68 -1.87 115.31 119.16 2da3 h LEU 37 Ca -0.03 0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2da3 h LEU 37 Cb 0.98 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2da3 h LEU 37 CO 0.05 0.37 -1.77 0.00 0.09 0.00 0.00 178.44 177.18 2da3 n LEU 38 N -4.53 0.84 -3.27 1.67 -0.00 -1.12 -4.84 117.00 105.75 2da3 n LEU 38 Ca 0.15 0.38 -0.05 0.00 -0.00 0.00 0.00 56.01 56.49 2da3 n LEU 38 Cb 0.38 0.17 -0.05 0.00 -0.00 0.00 0.00 43.42 43.93 2da3 n LEU 38 CO 0.31 0.41 0.00 -0.62 -0.00 0.00 0.00 177.39 177.49 2da3 s ASP 39 N -6.06 -0.29 0.00 1.45 -1.08 0.19 -5.00 116.67 105.88 2da3 s ASP 39 Ca -0.05 0.13 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 2da3 s ASP 39 Cb 0.08 1.45 0.17 0.00 -1.46 0.00 0.00 42.92 43.15 2da3 s ASP 39 CO 0.82 -0.31 1.13 -0.24 0.52 0.00 0.00 175.17 177.10 2da3 n SER 40 N 5.38 2.67 -2.24 -0.34 2.88 -0.89 -3.42 113.62 117.67 2da3 n SER 40 Ca -0.00 -1.83 -0.25 0.00 -1.33 0.00 0.00 58.87 55.46 2da3 n SER 40 Cb 0.51 -0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2da3 n SER 40 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2da3 n ASN 41 N 1.12 4.84 -4.77 -3.46 5.03 -1.26 -4.97 115.26 111.78 2da3 n ASN 41 Ca 0.12 -3.74 -0.34 0.00 0.87 0.00 0.00 54.58 51.49 2da3 n ASN 41 Cb 0.50 -0.40 0.03 0.00 -1.02 0.00 0.00 39.78 38.89 2da3 n ASN 41 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2da3 s PRO 42 N -3.57 3.01 0.45 3.52 0.04 -1.26 -5.05 135.00 132.13 2da3 s PRO 42 Ca 0.50 1.47 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2da3 s PRO 42 Cb 0.41 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.98 2da3 s PRO 42 CO -0.07 -1.09 0.66 -0.08 0.04 0.00 0.00 177.00 176.45 2da3 s THR 43 N -2.12 3.80 0.33 1.26 -1.32 -1.26 -4.84 115.64 111.49 2da3 s THR 43 Ca 0.69 -0.60 0.12 0.00 -1.21 0.00 0.00 61.69 60.69 2da3 s THR 43 Cb -0.22 -3.39 0.34 0.00 -1.51 0.00 0.00 72.50 67.72 2da3 s THR 43 CO 0.36 -0.26 1.63 0.03 -2.21 0.00 0.00 174.62 174.17 2da3 h ARG 44 N 0.42 0.18 -0.45 7.08 -0.00 -1.98 0.40 114.38 120.02 2da3 h ARG 44 Ca -0.45 -0.01 0.08 0.00 -0.50 0.00 0.00 59.98 59.10 2da3 h ARG 44 Cb 1.26 -0.04 -0.07 0.00 0.00 0.00 0.00 29.97 31.12 2da3 h ARG 44 CO 0.56 0.12 0.02 -0.22 0.00 0.00 0.00 179.97 180.44 2da3 h LYS 45 N 0.18 0.13 0.35 0.04 1.63 -2.00 -0.65 116.57 116.25 2da3 h LYS 45 Ca 0.71 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.48 2da3 h LYS 45 Cb 1.65 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.25 2da3 h LYS 45 CO -0.69 0.08 -0.17 0.52 -3.45 0.00 0.00 179.45 175.74 2da3 h MET 46 N 0.13 -0.46 -0.97 1.90 2.86 -0.62 -2.51 114.93 115.25 2da3 h MET 46 Ca 0.22 0.03 0.31 0.00 -2.06 0.00 0.00 59.70 58.20 2da3 h MET 46 Cb 0.32 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 31.93 2da3 h MET 46 CO -0.36 -0.14 0.47 -0.07 1.06 0.00 0.00 176.91 177.87 2da3 h LEU 47 N -0.86 0.34 -0.14 1.22 3.38 -1.04 0.48 115.31 118.69 2da3 h LEU 47 Ca -0.05 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2da3 h LEU 47 Cb 0.53 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2da3 h LEU 47 CO 0.08 -0.18 -0.02 -0.78 0.09 0.00 0.00 178.44 177.63 2da3 h ASP 48 N 0.25 0.26 0.77 -0.43 1.82 -1.08 -1.97 116.42 116.05 2da3 h ASP 48 Ca 0.70 -0.34 -0.04 0.00 -0.39 0.00 0.00 57.03 56.96 2da3 h ASP 48 Cb 1.58 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 41.53 2da3 h ASP 48 CO -0.65 0.54 -0.37 -0.74 -1.61 0.00 0.00 179.24 176.42 2da3 h HIS 49 N -0.02 -0.95 -0.79 0.28 2.76 -0.03 -1.92 115.15 114.47 2da3 h HIS 49 Ca 0.04 -0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.37 2da3 h HIS 49 Cb 0.42 0.32 -0.13 0.00 1.55 0.00 0.00 27.41 29.57 2da3 h HIS 49 CO 0.04 -0.58 0.15 0.82 -1.30 0.00 0.00 177.93 177.06 2da3 h ILE 50 N -1.24 0.40 0.00 6.26 2.04 -0.33 1.00 117.51 125.63 2da3 h ILE 50 Ca -0.11 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2da3 h ILE 50 Cb 0.80 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2da3 h ILE 50 CO 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 178.15 178.29 2da3 h ALA 51 N 1.69 1.10 0.22 1.87 0.00 -1.32 0.01 119.26 122.83 2da3 h ALA 51 Ca 0.46 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.98 2da3 h ALA 51 Cb 0.84 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.65 2da3 h ALA 51 CO -0.60 0.08 -1.50 1.25 0.00 0.00 0.00 179.25 178.48 2da3 h HIS 52 N 0.00 0.83 0.04 0.00 -0.00 0.18 -1.89 115.15 114.31 2da3 h HIS 52 Ca -0.00 -0.61 -0.24 0.00 -0.00 0.00 0.00 60.37 59.52 2da3 h HIS 52 Cb 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2da3 h HIS 52 CO 0.00 1.53 -1.03 1.05 -0.00 0.00 0.00 177.93 179.48 2da3 h GLU 53 N 0.12 0.39 0.00 5.26 4.11 -0.69 -3.22 114.58 120.54 2da3 h GLU 53 Ca -0.25 -0.47 -0.10 0.00 0.07 0.00 0.00 59.36 58.61 2da3 h GLU 53 Cb 2.12 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.50 2da3 h GLU 53 CO 0.24 1.14 -0.50 0.28 0.07 0.00 0.00 179.01 180.25 2da3 h VAL 54 N 0.20 0.95 -1.32 -1.06 2.07 -1.12 -3.48 116.25 112.49 2da3 h VAL 54 Ca -0.10 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 2da3 h VAL 54 Cb 1.68 2.25 0.01 0.00 -1.52 0.00 0.00 31.29 33.71 2da3 h VAL 54 CO 0.18 0.49 -0.06 0.61 0.02 0.00 0.00 177.57 178.80 2da3 n GLY 55 N 0.81 0.78 3.13 2.17 0.00 -0.87 -4.96 105.19 106.26 2da3 n GLY 55 Ca 0.01 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.46 2.07 -0.26 0.99 2.96 -0.77 -4.83 118.68 117.38 2da3 s LEU 56 Ca 0.05 -0.33 -0.40 0.00 -0.22 0.00 0.00 54.13 53.23 2da3 s LEU 56 Cb -0.02 -0.74 -0.18 0.00 0.50 0.00 0.00 46.19 45.75 2da3 s LEU 56 CO 0.06 0.15 1.25 0.29 -1.32 0.00 0.00 176.35 176.77 2da3 n LYS 57 N 2.47 0.00 -0.28 1.98 5.02 -1.26 -4.63 118.16 121.46 2da3 n LYS 57 Ca -0.15 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.22 2da3 n LYS 57 Cb 0.55 -1.37 0.20 0.00 -0.02 0.00 0.00 35.03 34.39 2da3 n LYS 57 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2da3 h LYS 58 N 3.77 0.10 0.82 1.97 3.11 -1.91 -0.31 116.57 124.13 2da3 h LYS 58 Ca -0.43 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.37 2da3 h LYS 58 Cb 1.27 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 2da3 h LYS 58 CO 0.76 0.07 -0.44 -0.09 -2.81 0.00 0.00 179.45 176.94 2da3 h ARG 59 N 0.10 -1.12 -1.06 1.90 9.65 -1.95 0.26 114.38 122.17 2da3 h ARG 59 Ca 0.47 0.08 0.28 0.00 -1.10 0.00 0.00 59.98 59.70 2da3 h ARG 59 Cb 0.87 0.25 -0.09 0.00 -1.39 0.00 0.00 29.97 29.61 2da3 h ARG 59 CO -0.71 -0.75 0.69 0.28 2.80 0.00 0.00 179.97 182.28 2da3 h VAL 60 N -1.16 0.50 0.04 0.20 2.07 -1.59 0.21 116.25 116.51 2da3 h VAL 60 Ca -0.11 -0.11 -0.23 0.00 0.82 0.00 0.00 66.70 67.06 2da3 h VAL 60 Cb 0.91 0.14 0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2da3 h VAL 60 CO 0.15 0.06 -0.93 0.58 0.02 0.00 0.00 177.57 177.45 2da3 h VAL 61 N 0.33 1.34 0.37 2.57 2.07 -0.65 -2.31 116.25 119.97 2da3 h VAL 61 Ca 0.59 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2da3 h VAL 61 Cb 1.63 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 2da3 h VAL 61 CO -0.26 0.68 -0.18 -0.61 0.02 0.00 0.00 177.57 177.22 2da3 h GLN 62 N 0.15 -0.48 -0.65 1.57 4.15 0.21 -3.14 115.11 116.91 2da3 h GLN 62 Ca -0.13 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.34 2da3 h GLN 62 Cb 1.62 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.39 2da3 h GLN 62 CO 0.18 -0.22 0.43 0.28 -1.93 0.00 0.00 178.83 177.57 2da3 h VAL 63 N -0.68 1.15 -1.01 2.39 2.07 -0.85 -1.89 116.25 117.43 2da3 h VAL 63 Ca -0.05 -0.30 0.29 0.00 0.82 0.00 0.00 66.70 67.46 2da3 h VAL 63 Cb 0.48 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2da3 h VAL 63 CO 0.08 0.16 1.02 -0.25 0.02 0.00 0.00 177.57 178.60 2da3 h TRP 64 N 0.87 0.00 0.00 1.57 7.01 -1.36 0.31 115.95 124.35 2da3 h TRP 64 Ca 0.24 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 2da3 h TRP 64 Cb -0.08 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 2da3 h TRP 64 CO -0.03 0.00 -0.31 0.74 -2.79 0.00 0.00 178.44 176.05 2da3 h PHE 65 N 0.00 0.00 -0.06 2.65 -1.00 -1.37 -2.92 116.94 114.23 2da3 h PHE 65 Ca 0.48 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.28 2da3 h PHE 65 Cb 2.51 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.07 2da3 h PHE 65 CO 0.00 1.00 0.06 -0.56 -1.61 0.00 0.00 178.31 177.20 2da3 h GLN 66 N -1.00 0.00 0.08 1.51 3.07 -0.48 -0.72 115.11 117.58 2da3 h GLN 66 Ca -0.08 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.47 2da3 h GLN 66 Cb 0.97 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.55 2da3 h GLN 66 CO -0.05 0.00 -0.78 -0.91 0.09 0.00 0.00 178.83 177.18 2da3 h ASN 67 N 0.00 0.54 -0.43 0.06 2.35 -1.02 -3.16 115.58 113.93 2da3 h ASN 67 Ca 0.03 -0.86 -0.07 0.00 -0.55 0.00 0.00 56.30 54.85 2da3 h ASN 67 Cb 0.15 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2da3 h ASN 67 CO -0.00 1.35 0.01 0.74 -1.65 0.00 0.00 177.43 177.88 2da3 h THR 68 N -0.18 1.24 -0.65 2.81 2.02 -1.18 -2.71 112.91 114.27 2da3 h THR 68 Ca -0.12 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 2da3 h THR 68 Cb 1.54 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 2da3 h THR 68 CO 0.15 0.36 0.33 0.03 0.37 0.00 0.00 175.52 176.76 2da3 h ARG 69 N 0.77 0.90 -0.57 6.66 3.08 -1.24 0.24 114.38 124.22 2da3 h ARG 69 Ca 0.15 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2da3 h ARG 69 Cb 0.45 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2da3 h ARG 69 CO 0.02 0.68 0.24 0.00 -1.07 0.00 0.00 179.97 179.85 2da3 h ALA 70 N 1.46 0.74 -0.01 0.04 0.00 -1.45 0.20 119.26 120.24 2da3 h ALA 70 Ca 0.23 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2da3 h ALA 70 Cb 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.64 2da3 h ALA 70 CO -0.03 0.34 -0.84 0.07 0.00 0.00 0.00 179.25 178.79 2da3 h ARG 71 N 0.78 0.59 -0.74 0.00 0.11 -1.34 -2.47 114.38 111.31 2da3 h ARG 71 Ca 0.19 -0.62 -0.06 0.00 0.10 0.00 0.00 59.98 59.59 2da3 h ARG 71 Cb 0.18 0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 2da3 h ARG 71 CO -0.02 1.23 0.21 0.93 0.10 0.00 0.00 179.97 182.42 2da3 h GLU 72 N 0.19 1.16 -0.23 0.08 4.39 -0.46 -2.77 114.58 116.95 2da3 h GLU 72 Ca -0.10 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 59.21 2da3 h GLU 72 Cb 1.51 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2da3 h GLU 72 CO 0.17 1.00 -0.40 0.07 -1.16 0.00 0.00 179.01 178.68 2da3 h ARG 73 N 1.11 0.53 -5.54 2.33 0.11 -0.67 -3.42 114.38 108.84 2da3 h ARG 73 Ca 0.24 -0.27 -0.48 0.00 0.10 0.00 0.00 59.98 59.57 2da3 h ARG 73 Cb 0.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2da3 h ARG 73 CO -0.00 0.85 1.64 1.63 0.10 0.00 0.00 179.97 184.18 2da3 n LYS 74 N -4.03 0.91 -2.47 0.08 5.02 -0.93 -4.93 118.16 111.82 2da3 n LYS 74 Ca -0.02 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 2da3 n LYS 74 Cb 0.51 -3.06 0.04 0.00 -0.02 0.00 0.00 35.03 32.50 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2da3 s SER 75 N 11.29 5.32 0.00 4.39 1.04 -1.26 -4.89 113.70 129.58 2da3 s SER 75 Ca 1.05 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.89 2da3 s SER 75 Cb -0.40 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.41 2da3 s SER 75 CO 0.31 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2da3 n GLY 76 N -2.56 -1.51 3.55 7.32 0.00 -1.26 -4.83 105.19 105.89 2da3 n GLY 76 Ca 0.06 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 2da3 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da3 s PRO 77 N 0.00 2.62 0.39 1.61 0.04 -1.26 -4.96 135.00 133.43 2da3 s PRO 77 Ca 0.00 0.55 0.08 0.00 0.04 0.00 0.00 61.00 61.66 2da3 s PRO 77 Cb 0.00 -4.44 -0.07 0.00 0.04 0.00 0.00 34.50 30.03 2da3 s PRO 77 CO 0.00 -2.78 -0.03 -1.54 0.04 0.00 0.00 177.00 172.69 2da3 s SER 78 N 8.11 3.82 -0.15 6.66 1.04 -1.26 -5.09 113.70 126.83 2da3 s SER 78 Ca 0.67 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 2da3 s SER 78 Cb -0.12 -0.38 -0.07 0.00 0.10 0.00 0.00 66.02 65.54 2da3 s SER 78 CO 0.19 -0.37 -0.04 -1.28 0.98 0.00 0.00 173.24 172.73 2da3 h SER 79 N 1.86 0.00 0.00 7.02 0.87 -1.98 -3.55 113.55 117.77 2da3 h SER 79 Ca -0.43 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2da3 h SER 79 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2da3 h SER 79 CO 0.77 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 178.60