#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 1.97 -4.79 1.61 2.88 -1.26 -4.97 113.62 109.07 2da3 n SER 2 Ca 0.00 0.14 -0.36 0.00 -1.33 0.00 0.00 58.87 57.31 2da3 n SER 2 Cb 0.00 -0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 62.74 2da3 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2da3 s SER 3 N -7.06 7.28 0.00 -3.46 0.01 -1.26 -4.93 113.70 104.28 2da3 s SER 3 Ca -0.37 1.83 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2da3 s SER 3 Cb 0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2da3 s SER 3 CO 0.55 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2da3 n GLY 4 N 0.41 3.10 2.87 3.44 0.00 -1.26 -5.14 105.19 108.62 2da3 n GLY 4 Ca 0.03 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2da3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2da3 s SER 5 N 0.00 -0.00 -0.08 1.61 1.04 -1.26 -5.05 113.70 109.96 2da3 s SER 5 Ca 0.00 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.42 2da3 s SER 5 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2da3 s SER 5 CO 0.00 -0.01 -0.09 -1.54 0.98 0.00 0.00 173.24 172.58 2da3 n SER 6 N 3.12 1.34 -3.94 7.02 3.41 -1.26 -5.05 113.62 118.26 2da3 n SER 6 Ca -0.13 0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 2da3 n SER 6 Cb 0.60 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 2da3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da3 n GLY 7 N 2.69 -2.21 3.35 5.00 0.00 -1.26 -4.96 105.19 107.81 2da3 n GLY 7 Ca -0.14 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2da3 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2da3 s GLY 8 N -0.91 1.44 0.26 -0.02 0.00 -1.26 -5.11 107.32 101.72 2da3 s GLY 8 Ca 0.55 -1.32 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 2da3 s GLY 8 CO 0.55 -1.23 1.44 -1.08 0.00 0.00 0.00 173.10 172.79 2da3 s THR 9 N -0.87 2.62 0.00 0.90 -1.32 -1.26 -5.02 115.64 110.69 2da3 s THR 9 Ca 0.12 0.52 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 2da3 s THR 9 Cb -0.10 -3.34 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2da3 s THR 9 CO 0.03 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 2da3 n GLY 10 N 2.12 0.86 1.71 6.08 0.00 -1.26 -5.09 105.19 109.62 2da3 n GLY 10 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 5.00 -1.49 2.63 -0.02 0.00 -1.26 -5.07 105.19 104.97 2da3 n GLY 11 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 1.11 -0.10 1.61 2.12 -1.26 -5.09 118.70 115.08 2da3 s GLU 12 Ca 0.00 -1.88 -0.28 0.00 0.36 0.00 0.00 54.97 53.17 2da3 s GLU 12 Cb 0.00 -2.03 0.07 0.00 0.26 0.00 0.00 34.13 32.42 2da3 s GLU 12 CO 0.00 -1.20 0.65 -1.83 -0.54 0.00 0.00 175.26 172.35 2da3 s GLU 13 N 0.45 0.96 -0.45 4.30 -1.05 -1.26 -5.12 118.70 116.54 2da3 s GLU 13 Ca 0.19 0.40 -0.28 0.00 -0.15 0.00 0.00 54.97 55.14 2da3 s GLU 13 Cb -0.21 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 2da3 s GLU 13 CO -0.02 -0.26 1.76 -1.25 0.95 0.00 0.00 175.26 176.44 2da3 s PRO 14 N -0.80 3.11 -0.34 -4.83 0.04 -1.26 -4.96 135.00 125.95 2da3 s PRO 14 Ca -0.08 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 2da3 s PRO 14 Cb -0.02 -4.24 0.02 0.00 0.04 0.00 0.00 34.50 30.30 2da3 s PRO 14 CO 0.07 -2.14 1.03 1.14 0.04 0.00 0.00 177.00 177.15 2da3 s GLN 15 N 6.06 3.98 -0.14 4.56 -2.07 -1.26 -5.00 119.66 125.78 2da3 s GLN 15 Ca 0.72 0.88 -0.04 0.00 -1.82 0.00 0.00 55.36 55.11 2da3 s GLN 15 Cb -0.17 -3.77 0.05 0.00 -1.09 0.00 0.00 33.01 28.03 2da3 s GLN 15 CO 0.29 -0.94 0.06 0.50 -1.32 0.00 0.00 175.29 173.88 2da3 s ARG 16 N 3.64 0.25 -1.37 9.60 3.52 -1.26 -4.85 118.95 128.48 2da3 s ARG 16 Ca 0.43 -0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 55.88 2da3 s ARG 16 Cb -0.12 -1.60 0.02 0.00 -1.56 0.00 0.00 34.95 31.70 2da3 s ARG 16 CO 0.17 -0.57 1.09 -0.25 -0.81 0.00 0.00 175.30 174.94 2da3 n ASP 17 N 5.21 -5.13 -0.08 -2.12 8.00 -1.26 -4.90 116.55 116.27 2da3 n ASP 17 Ca -0.07 -0.62 -0.13 0.00 0.71 0.00 0.00 54.79 54.69 2da3 n ASP 17 Cb 0.49 -4.75 -0.07 0.00 -0.02 0.00 0.00 41.12 36.77 2da3 n ASP 17 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2da3 n LYS 18 N -4.78 0.36 0.32 -1.24 4.81 -1.26 -4.51 118.16 111.86 2da3 n LYS 18 Ca -0.05 0.11 0.19 0.00 -0.87 0.00 0.00 58.31 57.69 2da3 n LYS 18 Cb 0.58 -1.22 1.05 0.00 0.02 0.00 0.00 35.03 35.45 2da3 n LYS 18 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2da3 h ARG 19 N -0.20 0.00 -7.27 1.64 -0.00 -1.96 -3.43 114.38 103.16 2da3 h ARG 19 Ca -0.36 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.15 2da3 h ARG 19 Cb 1.46 0.00 0.18 0.00 -0.00 0.00 0.00 29.97 31.61 2da3 h ARG 19 CO -0.12 0.01 0.16 -0.51 -0.00 0.00 0.00 179.97 179.51 2da3 s LEU 20 N -6.73 1.82 0.03 0.08 1.43 -1.26 -5.06 118.68 108.99 2da3 s LEU 20 Ca -0.04 1.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 2da3 s LEU 20 Cb 0.13 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 2da3 s LEU 20 CO 0.48 -3.28 -0.16 -0.60 0.23 0.00 0.00 176.35 173.02 2da3 s ARG 21 N -4.74 1.06 0.16 1.70 3.52 -1.26 -5.01 118.95 114.38 2da3 s ARG 21 Ca 0.66 -0.77 -0.14 0.00 -0.13 0.00 0.00 55.73 55.35 2da3 s ARG 21 Cb -0.21 -1.09 0.05 0.00 -1.56 0.00 0.00 34.95 32.14 2da3 s ARG 21 CO 0.60 0.27 1.74 1.79 -0.81 0.00 0.00 175.30 178.89 2da3 h THR 22 N 4.51 1.20 -3.66 4.11 1.35 -1.98 -3.39 112.91 115.05 2da3 h THR 22 Ca -0.39 -0.57 -0.42 0.00 -0.55 0.00 0.00 66.41 64.48 2da3 h THR 22 Cb 1.17 0.60 0.18 0.00 -1.73 0.00 0.00 68.15 68.38 2da3 h THR 22 CO 0.44 0.23 0.20 0.42 -0.25 0.00 0.00 175.52 176.56 2da3 s THR 23 N -5.69 1.72 0.21 6.82 -4.23 -1.26 -4.97 115.64 108.23 2da3 s THR 23 Ca -0.13 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.48 2da3 s THR 23 Cb 0.12 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 2da3 s THR 23 CO 0.77 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 174.03 2da3 s ILE 24 N -3.19 2.07 0.18 2.99 1.01 -1.26 -4.95 121.20 118.04 2da3 s ILE 24 Ca 0.71 -2.13 0.07 0.00 0.00 0.00 0.00 60.65 59.30 2da3 s ILE 24 Cb -0.09 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2da3 s ILE 24 CO 0.55 -0.36 0.03 0.42 0.00 0.00 0.00 174.94 175.59 2da3 s THR 25 N -2.29 3.88 -0.67 2.92 -4.23 -1.26 -5.01 115.64 108.98 2da3 s THR 25 Ca 0.22 -1.38 0.20 0.00 -1.18 0.00 0.00 61.69 59.54 2da3 s THR 25 Cb -0.05 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 71.02 2da3 s THR 25 CO 0.09 -0.13 1.61 -0.81 -0.54 0.00 0.00 174.62 174.85 2da3 n PRO 26 N -0.24 0.12 0.01 3.99 -0.04 -1.26 -2.09 135.00 135.49 2da3 n PRO 26 Ca -0.09 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 2da3 n PRO 26 Cb 0.55 -1.74 -0.12 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 -1.97 0.65 0.08 0.54 1.02 -1.26 -4.27 120.64 115.43 2da3 n GLU 27 Ca 0.03 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 2da3 n GLU 27 Cb 0.20 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.41 -0.30 3.49 4.20 -1.83 -3.37 115.11 117.70 2da3 h GLN 28 Ca -0.11 -0.70 0.07 0.00 0.06 0.00 0.00 58.65 57.97 2da3 h GLN 28 Cb 1.29 0.26 -0.08 0.00 0.30 0.00 0.00 27.48 29.25 2da3 h GLN 28 CO 0.01 1.33 -0.28 -0.07 -0.67 0.00 0.00 178.83 179.15 2da3 h LEU 29 N 0.11 -0.92 -0.72 1.46 3.38 -1.61 -2.10 115.31 114.90 2da3 h LEU 29 Ca -0.34 0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.89 2da3 h LEU 29 Cb 2.10 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 43.17 2da3 h LEU 29 CO 0.18 -0.30 -0.31 -0.62 0.09 0.00 0.00 178.44 177.48 2da3 n GLU 30 N -5.40 -0.20 -0.30 1.13 1.02 -1.26 0.21 120.64 115.84 2da3 n GLU 30 Ca -0.00 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 2da3 n GLU 30 Cb 0.32 -1.65 0.13 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.05 -0.23 -3.67 2.04 -1.59 -0.45 117.51 114.67 2da3 h ILE 31 Ca 0.22 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2da3 h ILE 31 Cb 0.40 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2da3 h ILE 31 CO -0.71 0.17 0.06 -0.07 0.00 0.00 0.00 178.15 177.61 2da3 h LEU 32 N 0.95 0.34 -0.27 1.44 3.38 0.26 -1.72 115.31 119.70 2da3 h LEU 32 Ca 0.36 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2da3 h LEU 32 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2da3 h LEU 32 CO -0.17 0.46 0.16 1.88 0.09 0.00 0.00 178.44 180.87 2da3 h TYR 33 N 0.19 0.30 -0.63 1.13 0.05 -0.00 0.16 116.97 118.17 2da3 h TYR 33 Ca 0.07 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.87 2da3 h TYR 33 Cb 0.25 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2da3 h TYR 33 CO 0.01 0.18 0.42 1.96 -1.05 0.00 0.00 178.16 179.68 2da3 h GLN 34 N 0.33 0.83 0.00 4.88 1.08 -1.02 0.19 115.11 121.40 2da3 h GLN 34 Ca 0.10 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 2da3 h GLN 34 Cb -0.01 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2da3 h GLN 34 CO -0.04 0.55 -0.38 0.87 -0.95 0.00 0.00 178.83 178.88 2da3 h LYS 35 N 0.85 0.00 0.00 1.46 1.79 -0.72 -3.22 116.57 116.73 2da3 h LYS 35 Ca 0.23 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 2da3 h LYS 35 Cb -0.10 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2da3 h LYS 35 CO -0.05 0.38 -0.12 -0.92 -1.08 0.00 0.00 179.45 177.66 2da3 h TYR 36 N 0.00 0.00 -1.02 -1.35 3.20 0.52 0.05 116.97 118.37 2da3 h TYR 36 Ca -0.00 0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.12 2da3 h TYR 36 Cb 1.18 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.33 2da3 h TYR 36 CO 0.00 0.88 0.62 -0.07 -1.64 0.00 0.00 178.16 177.94 2da3 h LEU 37 N -1.00 0.61 0.10 2.82 3.38 -0.79 -0.53 115.31 119.91 2da3 h LEU 37 Ca -0.03 0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 2da3 h LEU 37 Cb 0.87 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2da3 h LEU 37 CO -0.02 0.10 -1.76 0.17 0.09 0.00 0.00 178.44 177.02 2da3 h LEU 38 N 0.53 0.33 -7.06 1.67 8.10 -1.67 -3.44 115.31 113.77 2da3 h LEU 38 Ca 0.63 -0.60 -0.57 0.00 0.11 0.00 0.00 57.88 57.45 2da3 h LEU 38 Cb 1.31 -0.11 -0.40 0.00 -0.44 0.00 0.00 40.66 41.03 2da3 h LEU 38 CO -0.43 1.52 -0.76 -0.62 -4.11 0.00 0.00 178.44 174.04 2da3 s ASP 39 N -6.82 3.90 0.00 0.17 2.15 0.00 -4.95 116.67 111.13 2da3 s ASP 39 Ca -0.13 -1.63 0.20 0.00 0.43 0.00 0.00 52.55 51.42 2da3 s ASP 39 Cb 0.07 -0.76 0.09 0.00 -0.30 0.00 0.00 42.92 42.01 2da3 s ASP 39 CO 0.82 -0.41 1.06 -1.20 -0.17 0.00 0.00 175.17 175.27 2da3 n SER 40 N 4.85 2.30 -2.52 -0.34 7.64 -0.81 -3.78 113.62 120.96 2da3 n SER 40 Ca -0.02 -1.65 -0.14 0.00 1.01 0.00 0.00 58.87 58.07 2da3 n SER 40 Cb 0.42 0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.60 3.04 -4.77 6.43 3.02 -1.26 -4.95 115.26 117.36 2da3 n ASN 41 Ca 0.10 -2.99 -0.32 0.00 -0.03 0.00 0.00 54.58 51.33 2da3 n ASN 41 Cb 0.46 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -3.52 2.65 0.40 3.52 0.04 -1.26 -5.05 135.00 131.78 2da3 s PRO 42 Ca 0.37 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 2da3 s PRO 42 Cb 0.40 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.98 2da3 s PRO 42 CO -0.03 -1.36 0.62 -0.08 0.04 0.00 0.00 177.00 176.18 2da3 s THR 43 N -2.50 4.62 0.33 1.26 -1.32 -1.26 -4.85 115.64 111.92 2da3 s THR 43 Ca 0.65 -0.42 0.09 0.00 -1.21 0.00 0.00 61.69 60.80 2da3 s THR 43 Cb -0.20 -3.70 0.38 0.00 -1.51 0.00 0.00 72.50 67.47 2da3 s THR 43 CO 0.46 -0.49 1.59 0.03 -2.21 0.00 0.00 174.62 173.99 2da3 h ARG 44 N 0.56 0.05 -0.18 7.08 2.47 -1.99 0.34 114.38 122.70 2da3 h ARG 44 Ca -0.48 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.29 2da3 h ARG 44 Cb 1.23 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 2da3 h ARG 44 CO 0.60 0.03 -0.24 -0.22 0.56 0.00 0.00 179.97 180.70 2da3 h LYS 45 N 0.05 -0.27 0.77 0.04 1.63 -2.00 -1.55 116.57 115.24 2da3 h LYS 45 Ca 0.69 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.47 2da3 h LYS 45 Cb 1.59 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 33.29 2da3 h LYS 45 CO -0.82 -0.18 -0.39 0.52 -3.45 0.00 0.00 179.45 175.13 2da3 h MET 46 N -0.28 -1.02 -1.29 1.90 2.86 -0.73 -2.12 114.93 114.25 2da3 h MET 46 Ca 0.12 0.07 0.37 0.00 -2.06 0.00 0.00 59.70 58.20 2da3 h MET 46 Cb 0.45 0.23 -0.05 0.00 0.06 0.00 0.00 31.60 32.29 2da3 h MET 46 CO -0.34 -0.68 1.04 -0.07 1.06 0.00 0.00 176.91 177.92 2da3 h LEU 47 N -1.06 0.00 -0.02 1.22 3.38 -1.11 0.44 115.31 118.15 2da3 h LEU 47 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2da3 h LEU 47 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2da3 h LEU 47 CO 0.16 0.00 -0.09 -0.78 0.09 0.00 0.00 178.44 177.82 2da3 h ASP 48 N 0.00 0.12 0.76 -0.43 3.58 -0.62 -2.72 116.42 117.11 2da3 h ASP 48 Ca 0.61 -0.64 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2da3 h ASP 48 Cb 2.68 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 43.70 2da3 h ASP 48 CO -0.01 0.74 -0.36 -0.74 -2.88 0.00 0.00 179.24 175.99 2da3 h HIS 49 N -0.50 -0.95 -0.72 0.28 2.76 0.14 -1.97 115.15 114.20 2da3 h HIS 49 Ca -0.00 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.30 2da3 h HIS 49 Cb 0.74 0.31 -0.12 0.00 1.55 0.00 0.00 27.41 29.88 2da3 h HIS 49 CO 0.15 -0.57 -0.01 0.82 -1.30 0.00 0.00 177.93 177.02 2da3 h ILE 50 N -1.16 0.38 0.00 6.26 2.04 -1.35 1.02 117.51 124.70 2da3 h ILE 50 Ca -0.10 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2da3 h ILE 50 Cb 0.80 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2da3 h ILE 50 CO 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 2da3 h ALA 51 N 1.67 1.02 0.06 1.87 0.00 -1.42 0.18 119.26 122.64 2da3 h ALA 51 Ca 0.38 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.00 2da3 h ALA 51 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2da3 h ALA 51 CO -0.63 0.01 -1.45 1.25 0.00 0.00 0.00 179.25 178.43 2da3 h HIS 52 N 0.00 0.24 0.20 0.00 -0.00 0.18 -2.61 115.15 113.16 2da3 h HIS 52 Ca -0.00 -0.18 -0.32 0.00 -0.00 0.00 0.00 60.37 59.88 2da3 h HIS 52 Cb 0.25 -0.01 0.02 0.00 -0.00 0.00 0.00 27.41 27.67 2da3 h HIS 52 CO 0.00 1.21 -1.43 1.05 -0.00 0.00 0.00 177.93 178.76 2da3 h GLU 53 N 0.04 0.42 0.00 5.26 4.11 -0.32 -3.29 114.58 120.80 2da3 h GLU 53 Ca -0.20 -0.71 -0.06 0.00 0.07 0.00 0.00 59.36 58.46 2da3 h GLU 53 Cb 1.96 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.46 2da3 h GLU 53 CO 0.13 1.33 -0.30 0.28 0.07 0.00 0.00 179.01 180.52 2da3 h VAL 54 N 0.11 0.61 -1.71 -1.06 2.07 -1.12 -3.47 116.25 111.67 2da3 h VAL 54 Ca -0.22 -1.51 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 2da3 h VAL 54 Cb 2.09 2.03 0.02 0.00 -1.52 0.00 0.00 31.29 33.91 2da3 h VAL 54 CO 0.24 0.30 -0.16 0.61 0.02 0.00 0.00 177.57 178.58 2da3 n GLY 55 N 0.64 0.44 3.33 2.17 0.00 -1.05 -4.96 105.19 105.76 2da3 n GLY 55 Ca 0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.21 2.37 -0.24 0.99 2.96 -1.01 -4.77 118.68 116.78 2da3 s LEU 56 Ca 0.10 -0.78 -0.41 0.00 -0.22 0.00 0.00 54.13 52.82 2da3 s LEU 56 Cb -0.04 -0.91 -0.17 0.00 0.50 0.00 0.00 46.19 45.57 2da3 s LEU 56 CO 0.12 0.03 1.59 0.29 -1.32 0.00 0.00 176.35 177.07 2da3 n LYS 57 N 0.67 0.84 -0.18 1.98 4.76 -1.26 -4.67 118.16 120.29 2da3 n LYS 57 Ca -0.16 0.31 -0.04 0.00 -2.87 0.00 0.00 58.31 55.54 2da3 n LYS 57 Cb 0.55 -1.93 0.02 0.00 -1.84 0.00 0.00 35.03 31.83 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 5.99 -0.13 -0.34 1.97 3.11 -1.91 -0.47 116.57 124.78 2da3 h LYS 58 Ca -0.47 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.46 2da3 h LYS 58 Cb 1.34 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 32.53 2da3 h LYS 58 CO 0.91 -0.09 -0.14 -0.09 -2.81 0.00 0.00 179.45 177.23 2da3 h ARG 59 N -0.14 -0.07 -0.93 1.90 9.65 -1.95 0.39 114.38 123.23 2da3 h ARG 59 Ca 0.24 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.22 2da3 h ARG 59 Cb 0.52 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.04 2da3 h ARG 59 CO -0.63 -0.05 0.57 0.28 2.80 0.00 0.00 179.97 182.94 2da3 h VAL 60 N -0.08 0.95 -0.17 0.20 2.07 -1.50 0.19 116.25 117.90 2da3 h VAL 60 Ca 0.17 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 2da3 h VAL 60 Cb 0.34 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2da3 h VAL 60 CO -0.40 0.17 -0.61 0.58 0.02 0.00 0.00 177.57 177.34 2da3 h VAL 61 N 0.95 1.32 -0.46 2.57 2.07 0.21 0.16 116.25 123.08 2da3 h VAL 61 Ca 0.44 -1.88 -0.13 0.00 0.82 0.00 0.00 66.70 65.96 2da3 h VAL 61 Cb 0.37 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2da3 h VAL 61 CO -0.24 0.58 -0.21 -0.61 0.02 0.00 0.00 177.57 177.11 2da3 h GLN 62 N 0.43 0.95 0.15 1.57 4.15 0.77 -3.19 115.11 119.95 2da3 h GLN 62 Ca -0.00 -0.41 -0.31 0.00 0.77 0.00 0.00 58.65 58.69 2da3 h GLN 62 Cb 1.17 -0.03 0.03 0.00 0.21 0.00 0.00 27.48 28.86 2da3 h GLN 62 CO 0.12 1.08 -1.31 0.28 -1.93 0.00 0.00 178.83 177.07 2da3 h VAL 63 N 0.79 1.30 -0.23 2.39 2.07 -0.67 -3.22 116.25 118.68 2da3 h VAL 63 Ca 0.10 -2.56 0.07 0.00 0.82 0.00 0.00 66.70 65.13 2da3 h VAL 63 Cb 0.79 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2da3 h VAL 63 CO 0.07 0.77 0.51 -0.25 0.02 0.00 0.00 177.57 178.69 2da3 h TRP 64 N 0.23 0.00 0.05 1.57 7.01 -0.68 0.10 115.95 124.24 2da3 h TRP 64 Ca -0.20 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.62 2da3 h TRP 64 Cb 1.98 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.03 2da3 h TRP 64 CO 0.11 0.00 -0.90 0.74 -2.79 0.00 0.00 178.44 175.60 2da3 h PHE 65 N 0.00 0.18 -0.18 2.65 -1.00 -1.56 -3.04 116.94 113.99 2da3 h PHE 65 Ca 0.11 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 2da3 h PHE 65 Cb 1.12 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.66 2da3 h PHE 65 CO 0.00 1.35 -0.06 -0.56 -1.61 0.00 0.00 178.31 177.43 2da3 h GLN 66 N -0.73 0.27 -0.16 1.51 3.07 -1.05 -2.18 115.11 115.83 2da3 h GLN 66 Ca -0.22 -0.05 -0.18 0.00 0.09 0.00 0.00 58.65 58.29 2da3 h GLN 66 Cb 1.39 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 28.91 2da3 h GLN 66 CO -0.04 0.35 -0.62 -0.91 0.09 0.00 0.00 178.83 177.70 2da3 h ASN 67 N 0.26 0.83 -0.47 0.06 2.35 -1.03 -2.93 115.58 114.65 2da3 h ASN 67 Ca 0.06 -0.61 -0.04 0.00 -0.55 0.00 0.00 56.30 55.16 2da3 h ASN 67 Cb 0.28 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2da3 h ASN 67 CO 0.01 1.30 0.17 0.74 -1.65 0.00 0.00 177.43 178.00 2da3 h THR 68 N 0.41 1.20 -0.46 2.81 2.02 -1.35 -2.44 112.91 115.10 2da3 h THR 68 Ca -0.03 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 2da3 h THR 68 Cb 1.25 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2da3 h THR 68 CO 0.13 0.26 -0.13 0.03 0.37 0.00 0.00 175.52 176.19 2da3 h ARG 69 N 0.75 0.85 -0.16 6.66 3.08 -1.40 0.68 114.38 124.85 2da3 h ARG 69 Ca 0.18 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 2da3 h ARG 69 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2da3 h ARG 69 CO -0.01 0.93 -0.24 0.00 -1.07 0.00 0.00 179.97 179.58 2da3 h ALA 70 N 1.09 1.30 0.00 0.04 0.00 -1.26 -1.89 119.26 118.54 2da3 h ALA 70 Ca 0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 2da3 h ALA 70 Cb 0.64 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2da3 h ALA 70 CO 0.04 0.47 -1.66 2.89 0.00 0.00 0.00 179.25 181.00 2da3 n ARG 71 N -4.16 0.63 0.22 0.00 1.85 -0.96 -3.89 116.66 110.34 2da3 n ARG 71 Ca -0.01 0.28 0.09 0.00 -1.00 0.00 0.00 57.85 57.21 2da3 n ARG 71 Cb 0.36 -1.79 0.45 0.00 -1.05 0.00 0.00 32.46 30.42 2da3 n ARG 71 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2da3 h GLU 72 N 0.00 0.00 0.01 2.89 4.39 0.53 -2.88 114.58 119.52 2da3 h GLU 72 Ca -0.26 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.24 2da3 h GLU 72 Cb 1.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.55 2da3 h GLU 72 CO 0.07 0.26 -0.90 0.07 -1.16 0.00 0.00 179.01 177.35 2da3 h ARG 73 N 0.00 0.06 -6.68 2.33 0.11 -1.47 -3.45 114.38 105.28 2da3 h ARG 73 Ca -0.00 -0.08 -0.54 0.00 0.10 0.00 0.00 59.98 59.46 2da3 h ARG 73 Cb 0.75 0.02 0.07 0.00 1.11 0.00 0.00 29.97 31.93 2da3 h ARG 73 CO 0.03 0.91 0.88 1.63 0.10 0.00 0.00 179.97 183.53 2da3 n LYS 74 N -3.54 2.56 0.40 0.08 4.01 -1.09 -4.92 118.16 115.67 2da3 n LYS 74 Ca -0.02 0.92 -0.19 0.00 -0.51 0.00 0.00 58.31 58.51 2da3 n LYS 74 Cb 0.84 -2.70 -0.10 0.00 -0.51 0.00 0.00 35.03 32.56 2da3 n LYS 74 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2da3 h SER 75 N 5.52 -1.22 -3.58 4.39 0.02 -1.88 -3.42 113.55 113.39 2da3 h SER 75 Ca -0.45 0.07 -0.52 0.00 -0.84 0.00 0.00 61.79 60.05 2da3 h SER 75 Cb 1.23 0.36 -0.02 0.00 0.14 0.00 0.00 62.40 64.11 2da3 h SER 75 CO 0.86 -0.72 0.33 -0.83 -1.14 0.00 0.00 176.83 175.33 2da3 s GLY 76 N -2.00 3.00 0.00 -3.77 0.00 -1.26 -4.92 107.32 98.36 2da3 s GLY 76 Ca -0.18 0.55 0.14 0.00 0.00 0.00 0.00 44.72 45.23 2da3 s GLY 76 CO 0.57 1.37 1.27 -1.55 0.00 0.00 0.00 173.10 174.76 2da3 n PRO 77 N 2.57 0.48 -1.99 2.90 -0.04 -1.26 -4.61 135.00 133.05 2da3 n PRO 77 Ca 0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 2da3 n PRO 77 Cb 0.49 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2da3 n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2da3 s SER 78 N -1.96 4.92 -0.13 3.54 1.04 -1.26 -4.70 113.70 115.15 2da3 s SER 78 Ca 0.22 -0.92 -0.19 0.00 0.48 0.00 0.00 55.95 55.53 2da3 s SER 78 Cb 0.10 -2.57 -0.25 0.00 0.10 0.00 0.00 66.02 63.40 2da3 s SER 78 CO 0.17 -3.04 0.51 0.28 0.98 0.00 0.00 173.24 172.14 2da3 h SER 79 N 10.95 0.25 0.00 7.02 0.02 -1.98 -3.52 113.55 126.29 2da3 h SER 79 Ca 0.12 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 2da3 h SER 79 Cb 0.98 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2da3 h SER 79 CO 1.19 1.51 0.00 0.61 -1.14 0.00 0.00 176.83 178.99