#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 6.36 -0.07 1.61 0.15 -1.26 -5.01 113.70 115.48 2da3 s SER 2 Ca 0.00 -0.15 -0.31 0.00 0.70 0.00 0.00 55.95 56.18 2da3 s SER 2 Cb 0.00 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.89 2da3 s SER 2 CO 0.00 -0.73 2.00 -0.24 1.20 0.00 0.00 173.24 175.47 2da3 n SER 3 N 6.23 3.65 -3.74 5.45 2.88 -1.26 -4.91 113.62 121.92 2da3 n SER 3 Ca -0.01 0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 57.95 2da3 n SER 3 Cb 0.48 -1.46 -0.04 0.00 -0.75 0.00 0.00 64.21 62.44 2da3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2da3 n GLY 4 N 4.83 4.97 3.35 0.46 0.00 -1.26 -4.94 105.19 112.60 2da3 n GLY 4 Ca 0.24 -2.72 0.02 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.04 -0.58 0.11 1.61 1.04 -1.26 -5.17 113.70 107.41 2da3 s SER 5 Ca 0.35 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.52 2da3 s SER 5 Cb 0.09 1.63 -0.04 0.00 0.10 0.00 0.00 66.02 67.80 2da3 s SER 5 CO 0.04 -0.11 0.17 -0.44 0.98 0.00 0.00 173.24 173.88 2da3 s SER 6 N 2.53 5.88 0.00 7.02 0.01 -1.26 -4.95 113.70 122.93 2da3 s SER 6 Ca -0.01 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2da3 s SER 6 Cb -0.07 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2da3 s SER 6 CO -0.17 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2da3 n GLY 7 N -0.01 0.57 2.15 3.44 0.00 -1.26 -5.05 105.19 105.02 2da3 n GLY 7 Ca -0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.13 3.69 -0.02 0.00 -1.26 -5.04 105.19 102.44 2da3 n GLY 8 Ca 0.00 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2da3 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2da3 s THR 9 N -3.10 5.14 -0.02 2.61 2.01 -1.26 -4.95 115.64 116.07 2da3 s THR 9 Ca 0.12 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2da3 s THR 9 Cb -0.02 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2da3 s THR 9 CO 0.29 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 2da3 n GLY 10 N 3.51 0.11 0.00 4.40 0.00 -1.26 -5.01 105.19 106.94 2da3 n GLY 10 Ca -0.16 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.04 3.54 -0.02 0.00 -1.26 -5.15 105.19 102.34 2da3 n GLY 11 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.20 0.77 0.35 1.61 2.12 -1.26 -5.16 118.70 118.33 2da3 s GLU 12 Ca 0.00 0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.14 2da3 s GLU 12 Cb 0.00 0.36 -0.09 0.00 0.26 0.00 0.00 34.13 34.66 2da3 s GLU 12 CO 0.00 -0.27 1.03 -1.83 -0.54 0.00 0.00 175.26 173.66 2da3 s GLU 13 N -1.60 4.38 0.15 4.30 -1.05 -1.26 -5.00 118.70 118.62 2da3 s GLU 13 Ca -0.03 1.54 -0.31 0.00 -0.15 0.00 0.00 54.97 56.03 2da3 s GLU 13 Cb -0.00 -2.76 -0.08 0.00 -0.44 0.00 0.00 34.13 30.84 2da3 s GLU 13 CO 0.01 0.05 1.34 -1.25 0.95 0.00 0.00 175.26 176.36 2da3 s PRO 14 N -2.13 4.36 -0.28 -4.83 0.04 -1.26 -5.02 135.00 125.89 2da3 s PRO 14 Ca 0.53 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.42 2da3 s PRO 14 Cb -0.24 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.15 2da3 s PRO 14 CO 0.30 -0.34 0.69 -1.14 0.04 0.00 0.00 177.00 176.55 2da3 s GLN 15 N 0.58 0.74 0.61 4.56 2.00 -1.26 -5.17 119.66 121.72 2da3 s GLN 15 Ca 0.61 1.16 -0.09 0.00 -2.00 0.00 0.00 55.36 55.03 2da3 s GLN 15 Cb -0.36 0.21 -0.02 0.00 0.80 0.00 0.00 33.01 33.64 2da3 s GLN 15 CO 0.34 -0.14 0.98 -0.98 -0.50 0.00 0.00 175.29 174.99 2da3 s ARG 16 N 1.28 3.37 -0.66 1.67 1.70 -1.26 -5.01 118.95 120.03 2da3 s ARG 16 Ca -0.07 0.50 -0.20 0.00 -0.47 0.00 0.00 55.73 55.49 2da3 s ARG 16 Cb -0.05 -2.15 0.10 0.00 -0.57 0.00 0.00 34.95 32.28 2da3 s ARG 16 CO -0.14 -0.60 0.82 -0.51 -1.08 0.00 0.00 175.30 173.79 2da3 s ASP 17 N -4.21 6.25 -0.11 -2.89 1.11 -1.26 -4.88 116.67 110.67 2da3 s ASP 17 Ca 0.54 -1.44 -0.26 0.00 0.18 0.00 0.00 52.55 51.56 2da3 s ASP 17 Cb -0.11 -2.34 -0.27 0.00 1.07 0.00 0.00 42.92 41.27 2da3 s ASP 17 CO 0.51 -1.17 0.79 0.50 1.18 0.00 0.00 175.17 176.97 2da3 h LYS 18 N 9.19 0.10 -6.48 8.23 3.64 -2.01 -3.45 116.57 125.78 2da3 h LYS 18 Ca -0.23 -0.16 -0.53 0.00 -1.27 0.00 0.00 60.65 58.46 2da3 h LYS 18 Cb 1.07 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2da3 h LYS 18 CO 1.11 1.08 0.38 0.50 -2.27 0.00 0.00 179.45 180.25 2da3 s ARG 19 N -2.29 4.60 0.17 1.90 3.52 -1.26 -5.05 118.95 120.54 2da3 s ARG 19 Ca -0.18 1.47 0.01 0.00 -0.13 0.00 0.00 55.73 56.90 2da3 s ARG 19 Cb -0.01 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2da3 s ARG 19 CO 0.73 0.04 0.03 -0.51 -0.81 0.00 0.00 175.30 174.78 2da3 s LEU 20 N 0.59 1.96 0.15 -0.88 1.43 -1.26 -5.03 118.68 115.63 2da3 s LEU 20 Ca 0.50 -1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 2da3 s LEU 20 Cb -0.23 0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.03 2da3 s LEU 20 CO 0.29 -0.63 0.21 -0.60 0.23 0.00 0.00 176.35 175.84 2da3 s ARG 21 N -3.97 1.07 -0.14 1.70 3.52 -1.26 -5.08 118.95 114.79 2da3 s ARG 21 Ca 0.26 -1.26 -0.12 0.00 -0.13 0.00 0.00 55.73 54.48 2da3 s ARG 21 Cb 0.07 0.33 -0.08 0.00 -1.56 0.00 0.00 34.95 33.70 2da3 s ARG 21 CO 0.04 -0.37 0.06 1.79 -0.81 0.00 0.00 175.30 176.02 2da3 h THR 22 N 2.66 0.40 -2.49 4.11 1.35 -2.01 -3.37 112.91 113.56 2da3 h THR 22 Ca -0.33 -1.40 -0.36 0.00 -0.55 0.00 0.00 66.41 63.77 2da3 h THR 22 Cb 1.22 0.86 0.20 0.00 -1.73 0.00 0.00 68.15 68.69 2da3 h THR 22 CO 0.52 0.14 -0.44 0.35 -0.25 0.00 0.00 175.52 175.84 2da3 n THR 23 N -4.62 0.00 -4.42 6.82 -2.24 -1.26 -4.93 114.28 103.63 2da3 n THR 23 Ca -0.11 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 2da3 n THR 23 Cb 0.31 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.18 2.29 0.14 2.28 1.01 -1.26 -4.98 121.20 118.51 2da3 s ILE 24 Ca 0.55 -2.08 0.05 0.00 0.00 0.00 0.00 60.65 59.17 2da3 s ILE 24 Cb -0.12 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2da3 s ILE 24 CO 0.54 -0.19 0.10 0.42 0.00 0.00 0.00 174.94 175.80 2da3 s THR 25 N -1.87 4.37 -0.79 2.92 -4.23 -1.26 -5.00 115.64 109.78 2da3 s THR 25 Ca 0.21 -1.05 0.18 0.00 -1.18 0.00 0.00 61.69 59.86 2da3 s THR 25 Cb -0.07 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.75 2da3 s THR 25 CO 0.10 -0.04 1.56 -0.81 -0.54 0.00 0.00 174.62 174.89 2da3 n PRO 26 N -0.09 0.08 0.00 3.99 -0.04 -1.26 -2.24 135.00 135.45 2da3 n PRO 26 Ca -0.09 0.33 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2da3 n PRO 26 Cb 0.54 -1.65 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.80 0.65 0.04 0.54 1.02 -1.26 -4.32 120.64 115.51 2da3 n GLU 27 Ca 0.03 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 2da3 n GLU 27 Cb 0.19 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.31 -0.45 3.49 4.20 -1.83 -3.37 115.11 117.46 2da3 h GLN 28 Ca -0.11 -0.53 0.08 0.00 0.06 0.00 0.00 58.65 58.16 2da3 h GLN 28 Cb 1.27 0.20 -0.10 0.00 0.30 0.00 0.00 27.48 29.15 2da3 h GLN 28 CO 0.01 1.25 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.95 2da3 h LEU 29 N -0.21 -1.33 -0.70 1.46 3.38 -1.65 -1.62 115.31 114.63 2da3 h LEU 29 Ca -0.27 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2da3 h LEU 29 Cb 1.83 0.60 -0.10 0.00 0.09 0.00 0.00 40.66 43.08 2da3 h LEU 29 CO 0.12 -0.35 -0.32 -0.62 0.09 0.00 0.00 178.44 177.36 2da3 n GLU 30 N -5.42 -0.22 -0.22 1.13 1.02 -1.26 0.18 120.64 115.86 2da3 n GLU 30 Ca 0.01 1.07 -0.01 0.00 -0.02 0.00 0.00 57.16 58.21 2da3 n GLU 30 Cb 0.35 -1.59 0.10 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.09 -3.67 2.04 -1.50 0.37 117.51 115.57 2da3 h ILE 31 Ca 0.20 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2da3 h ILE 31 Cb 0.37 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2da3 h ILE 31 CO -0.68 0.11 0.05 -0.07 0.00 0.00 0.00 178.15 177.55 2da3 h LEU 32 N 0.59 0.11 -0.15 1.44 3.38 0.21 -1.81 115.31 119.08 2da3 h LEU 32 Ca 0.30 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2da3 h LEU 32 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2da3 h LEU 32 CO -0.21 0.18 0.05 1.88 0.09 0.00 0.00 178.44 180.43 2da3 h TYR 33 N 0.03 0.08 -0.89 1.13 0.05 -0.05 0.13 116.97 117.45 2da3 h TYR 33 Ca 0.03 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.92 2da3 h TYR 33 Cb 0.10 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 37.76 2da3 h TYR 33 CO -0.04 0.04 0.58 1.96 -1.05 0.00 0.00 178.16 179.65 2da3 h GLN 34 N 0.12 0.86 -0.02 4.88 1.08 -0.83 0.16 115.11 121.35 2da3 h GLN 34 Ca 0.07 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 2da3 h GLN 34 Cb 0.04 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2da3 h GLN 34 CO -0.07 0.57 -0.69 0.87 -0.95 0.00 0.00 178.83 178.56 2da3 h LYS 35 N 0.88 0.11 0.05 1.46 1.79 -0.71 -3.12 116.57 117.04 2da3 h LYS 35 Ca 0.41 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2da3 h LYS 35 Cb 0.41 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2da3 h LYS 35 CO -0.18 0.75 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.00 2da3 h TYR 36 N 0.08 -0.06 -1.00 -1.35 5.03 0.67 0.48 116.97 120.82 2da3 h TYR 36 Ca -0.01 -0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.52 2da3 h TYR 36 Cb 1.22 0.02 -0.10 0.00 1.55 0.00 0.00 36.73 39.42 2da3 h TYR 36 CO 0.01 0.54 0.62 -0.07 -1.32 0.00 0.00 178.16 177.94 2da3 h LEU 37 N -0.73 0.61 0.05 2.82 3.38 -0.83 -0.57 115.31 120.04 2da3 h LEU 37 Ca -0.01 0.10 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 2da3 h LEU 37 Cb 0.62 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2da3 h LEU 37 CO 0.01 0.16 -1.72 0.17 0.09 0.00 0.00 178.44 177.15 2da3 h LEU 38 N 0.57 0.17 -6.44 1.67 8.10 -1.57 -3.45 115.31 114.36 2da3 h LEU 38 Ca 0.59 -0.34 -0.20 0.00 0.11 0.00 0.00 57.88 58.04 2da3 h LEU 38 Cb 1.20 -0.06 -0.30 0.00 -0.44 0.00 0.00 40.66 41.06 2da3 h LEU 38 CO -0.35 1.30 -0.53 -0.62 -4.11 0.00 0.00 178.44 174.12 2da3 s ASP 39 N -6.51 0.60 0.00 0.17 -1.08 0.17 -4.99 116.67 105.03 2da3 s ASP 39 Ca -0.10 -0.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.93 2da3 s ASP 39 Cb 0.08 0.97 0.26 0.00 -1.46 0.00 0.00 42.92 42.77 2da3 s ASP 39 CO 0.81 -0.33 1.16 -1.54 0.52 0.00 0.00 175.17 175.79 2da3 n SER 40 N 5.35 2.77 -2.45 -0.34 3.41 -0.83 -3.48 113.62 118.06 2da3 n SER 40 Ca -0.02 -1.81 -0.20 0.00 -0.26 0.00 0.00 58.87 56.58 2da3 n SER 40 Cb 0.49 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.92 3.79 -4.74 4.04 3.02 -1.26 -4.97 115.26 116.05 2da3 n ASN 41 Ca 0.13 -3.35 -0.30 0.00 -0.03 0.00 0.00 54.58 51.02 2da3 n ASN 41 Cb 0.44 -0.45 0.12 0.00 -0.61 0.00 0.00 39.78 39.28 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 -3.50 1.72 0.19 3.52 0.04 -1.26 -5.06 135.00 130.66 2da3 s PRO 42 Ca 0.42 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2da3 s PRO 42 Cb 0.41 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 33.06 2da3 s PRO 42 CO -0.08 -1.96 0.31 -0.08 0.04 0.00 0.00 177.00 175.24 2da3 s THR 43 N -2.92 5.26 0.30 1.26 -1.32 -1.26 -4.89 115.64 112.08 2da3 s THR 43 Ca 0.62 -0.84 0.12 0.00 -1.21 0.00 0.00 61.69 60.39 2da3 s THR 43 Cb -0.18 -3.78 0.32 0.00 -1.51 0.00 0.00 72.50 67.36 2da3 s THR 43 CO 0.56 -0.20 1.36 0.54 -2.21 0.00 0.00 174.62 174.68 2da3 n ARG 44 N -0.94 -0.06 0.03 7.08 5.12 -1.26 0.88 116.66 127.52 2da3 n ARG 44 Ca -0.08 1.23 -0.10 0.00 -1.93 0.00 0.00 57.85 56.97 2da3 n ARG 44 Cb 0.55 -2.12 -0.04 0.00 -1.16 0.00 0.00 32.46 29.70 2da3 n ARG 44 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2da3 h LYS 45 N 0.00 -0.29 0.84 5.56 1.63 -2.01 -2.45 116.57 119.84 2da3 h LYS 45 Ca 0.66 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.44 2da3 h LYS 45 Cb 1.65 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 33.35 2da3 h LYS 45 CO -0.72 -0.19 -0.41 0.52 -3.45 0.00 0.00 179.45 175.20 2da3 h MET 46 N -0.30 -1.09 -1.81 1.90 2.86 0.12 -2.34 114.93 114.26 2da3 h MET 46 Ca 0.08 0.07 0.55 0.00 -2.06 0.00 0.00 59.70 58.34 2da3 h MET 46 Cb 0.41 0.25 -0.10 0.00 0.06 0.00 0.00 31.60 32.22 2da3 h MET 46 CO -0.23 -0.73 1.27 1.28 1.06 0.00 0.00 176.91 179.56 2da3 n LEU 47 N -5.58 0.06 -0.03 1.22 4.77 -0.79 0.12 117.00 116.78 2da3 n LEU 47 Ca -0.15 1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 2da3 n LEU 47 Cb 0.45 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 2da3 n LEU 47 CO 0.39 -1.16 0.52 -0.78 -1.33 0.00 0.00 177.39 175.03 2da3 h ASP 48 N 0.00 0.14 0.68 -1.43 3.58 -0.94 -2.52 116.42 115.93 2da3 h ASP 48 Ca 0.93 -0.65 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 2da3 h ASP 48 Cb 3.52 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 44.54 2da3 h ASP 48 CO -0.15 0.77 -0.33 -0.74 -2.88 0.00 0.00 179.24 175.91 2da3 h HIS 49 N -0.48 -0.85 -0.51 0.28 2.76 0.12 -0.84 115.15 115.63 2da3 h HIS 49 Ca -0.01 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2da3 h HIS 49 Cb 0.76 0.28 -0.10 0.00 1.55 0.00 0.00 27.41 29.91 2da3 h HIS 49 CO 0.15 -0.50 -0.10 0.82 -1.30 0.00 0.00 177.93 177.00 2da3 h ILE 50 N -1.03 0.51 0.00 6.26 2.04 -1.22 0.43 117.51 124.49 2da3 h ILE 50 Ca -0.09 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2da3 h ILE 50 Cb 0.73 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2da3 h ILE 50 CO 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.25 2da3 h ALA 51 N 1.50 1.15 0.16 1.87 0.00 -1.40 -0.05 119.26 122.49 2da3 h ALA 51 Ca 0.25 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 2da3 h ALA 51 Cb 0.39 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2da3 h ALA 51 CO -0.51 0.07 -1.29 1.25 0.00 0.00 0.00 179.25 178.77 2da3 h HIS 52 N 0.00 0.65 0.16 0.00 -0.00 0.13 -2.16 115.15 113.93 2da3 h HIS 52 Ca -0.00 -0.47 -0.30 0.00 -0.00 0.00 0.00 60.37 59.60 2da3 h HIS 52 Cb 0.27 -0.03 0.03 0.00 -0.00 0.00 0.00 27.41 27.68 2da3 h HIS 52 CO 0.00 1.36 -1.30 1.05 -0.00 0.00 0.00 177.93 179.03 2da3 h GLU 53 N 0.11 0.50 0.00 5.26 4.11 -0.43 -3.26 114.58 120.87 2da3 h GLU 53 Ca -0.17 -0.75 -0.08 0.00 0.07 0.00 0.00 59.36 58.43 2da3 h GLU 53 Cb 2.00 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 31.51 2da3 h GLU 53 CO 0.22 1.34 -0.37 0.28 0.07 0.00 0.00 179.01 180.56 2da3 h VAL 54 N 0.18 0.80 -2.26 -1.06 2.07 -1.13 -3.47 116.25 111.38 2da3 h VAL 54 Ca -0.19 -1.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.64 2da3 h VAL 54 Cb 1.99 2.00 0.04 0.00 -1.52 0.00 0.00 31.29 33.80 2da3 h VAL 54 CO 0.24 0.36 -0.18 0.61 0.02 0.00 0.00 177.57 178.61 2da3 n GLY 55 N 0.43 0.53 3.16 2.17 0.00 -0.85 -4.95 105.19 105.67 2da3 n GLY 55 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.68 2.02 -0.37 0.99 2.96 -0.97 -4.85 118.68 115.78 2da3 s LEU 56 Ca 0.15 -0.31 -0.33 0.00 -0.22 0.00 0.00 54.13 53.43 2da3 s LEU 56 Cb -0.07 -0.88 -0.14 0.00 0.50 0.00 0.00 46.19 45.60 2da3 s LEU 56 CO 0.19 0.21 1.51 0.29 -1.32 0.00 0.00 176.35 177.22 2da3 n LYS 57 N 2.69 0.00 -0.32 1.98 4.76 -1.26 -4.66 118.16 121.35 2da3 n LYS 57 Ca -0.15 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.34 2da3 n LYS 57 Cb 0.54 -1.11 0.12 0.00 -1.84 0.00 0.00 35.03 32.75 2da3 n LYS 57 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2da3 n LYS 58 N 5.06 -0.08 -0.01 1.97 0.00 -1.26 0.35 118.16 124.19 2da3 n LYS 58 Ca 0.37 1.40 -0.10 0.00 0.00 0.00 0.00 58.31 59.99 2da3 n LYS 58 Cb -0.03 -2.09 -0.03 0.00 0.00 0.00 0.00 35.03 32.88 2da3 n LYS 58 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2da3 h ARG 59 N 0.00 -0.31 -0.99 1.64 9.65 -1.94 0.30 114.38 122.73 2da3 h ARG 59 Ca 0.43 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.47 2da3 h ARG 59 Cb 0.65 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.21 2da3 h ARG 59 CO -0.92 -0.20 0.61 0.28 2.80 0.00 0.00 179.97 182.54 2da3 h VAL 60 N -0.32 0.84 -0.20 0.20 2.07 -0.43 0.22 116.25 118.64 2da3 h VAL 60 Ca 0.11 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 2da3 h VAL 60 Cb 0.48 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2da3 h VAL 60 CO -0.33 0.16 -0.55 0.58 0.02 0.00 0.00 177.57 177.45 2da3 h VAL 61 N 0.90 1.32 -0.13 2.57 2.07 -0.25 -0.02 116.25 122.70 2da3 h VAL 61 Ca 0.52 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 2da3 h VAL 61 Cb 0.63 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2da3 h VAL 61 CO -0.31 0.56 -0.08 -0.61 0.02 0.00 0.00 177.57 177.16 2da3 h GLN 62 N 0.46 0.29 -0.19 1.57 4.15 0.11 -3.20 115.11 118.30 2da3 h GLN 62 Ca 0.01 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 2da3 h GLN 62 Cb 1.11 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 2da3 h GLN 62 CO 0.11 0.64 -0.13 0.28 -1.93 0.00 0.00 178.83 177.79 2da3 h VAL 63 N -0.07 1.32 -0.97 2.39 2.07 -0.67 -3.14 116.25 117.18 2da3 h VAL 63 Ca 0.03 -1.24 0.33 0.00 0.82 0.00 0.00 66.70 66.64 2da3 h VAL 63 Cb 0.56 1.70 -0.17 0.00 -1.52 0.00 0.00 31.29 31.87 2da3 h VAL 63 CO 0.02 0.37 0.36 -0.25 0.02 0.00 0.00 177.57 178.10 2da3 h TRP 64 N 0.11 0.55 -0.56 1.57 7.01 -1.04 0.82 115.95 124.40 2da3 h TRP 64 Ca 0.04 0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.02 2da3 h TRP 64 Cb 0.64 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 2da3 h TRP 64 CO 0.07 -0.35 0.09 0.74 -2.79 0.00 0.00 178.44 176.21 2da3 h PHE 65 N 0.12 0.99 -0.77 2.65 -1.00 -1.54 -2.15 116.94 115.24 2da3 h PHE 65 Ca 0.70 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 61.36 2da3 h PHE 65 Cb 1.65 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 40.90 2da3 h PHE 65 CO -0.18 0.87 0.50 1.96 -1.61 0.00 0.00 178.31 179.85 2da3 h GLN 66 N 0.83 0.98 -0.26 1.51 4.20 0.60 -1.04 115.11 121.94 2da3 h GLN 66 Ca 0.17 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2da3 h GLN 66 Cb 0.41 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2da3 h GLN 66 CO 0.01 0.65 0.06 -0.91 -0.67 0.00 0.00 178.83 177.97 2da3 h ASN 67 N 1.01 0.39 0.06 1.46 2.35 -1.08 -0.71 115.58 119.06 2da3 h ASN 67 Ca 0.29 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2da3 h ASN 67 Cb -0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2da3 h ASN 67 CO -0.08 0.52 -0.09 0.74 -1.65 0.00 0.00 177.43 176.88 2da3 h THR 68 N 0.24 0.79 0.49 2.81 2.02 -1.08 -1.45 112.91 116.73 2da3 h THR 68 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2da3 h THR 68 Cb 0.29 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2da3 h THR 68 CO 0.00 0.00 -0.24 0.03 0.37 0.00 0.00 175.52 175.68 2da3 h ARG 69 N -0.18 -0.64 -0.88 6.66 3.08 -1.17 0.21 114.38 121.46 2da3 h ARG 69 Ca 0.02 0.04 0.21 0.00 0.07 0.00 0.00 59.98 60.32 2da3 h ARG 69 Cb 0.19 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.26 2da3 h ARG 69 CO -0.05 -0.43 0.37 0.00 -1.07 0.00 0.00 179.97 178.79 2da3 h ALA 70 N -0.15 1.39 -0.02 0.04 0.00 -1.04 0.25 119.26 119.72 2da3 h ALA 70 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2da3 h ALA 70 Cb 0.52 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2da3 h ALA 70 CO 0.11 -0.34 -0.06 0.00 0.00 0.00 0.00 179.25 178.95 2da3 h ARG 71 N 0.38 0.09 -0.95 0.00 3.08 -0.96 -2.50 114.38 113.51 2da3 h ARG 71 Ca 0.55 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.65 2da3 h ARG 71 Cb 1.03 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.00 2da3 h ARG 71 CO -0.53 0.67 0.58 0.93 -1.07 0.00 0.00 179.97 180.55 2da3 h GLU 72 N -0.48 0.90 -0.16 0.04 4.39 0.61 -0.36 114.58 119.51 2da3 h GLU 72 Ca -0.00 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 2da3 h GLU 72 Cb 0.67 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2da3 h GLU 72 CO 0.01 0.59 -0.39 0.07 -1.16 0.00 0.00 179.01 178.13 2da3 h ARG 73 N 0.92 0.36 -5.83 2.33 0.11 -0.58 -3.42 114.38 108.29 2da3 h ARG 73 Ca 0.47 -0.17 -0.50 0.00 0.10 0.00 0.00 59.98 59.88 2da3 h ARG 73 Cb 0.48 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2da3 h ARG 73 CO -0.27 0.70 1.52 0.15 0.10 0.00 0.00 179.97 182.17 2da3 s LYS 74 N -4.20 2.52 0.34 0.08 1.02 -0.15 -4.91 119.74 114.43 2da3 s LYS 74 Ca -0.06 1.36 -0.28 0.00 0.02 0.00 0.00 55.97 57.02 2da3 s LYS 74 Cb 0.13 -4.47 -0.12 0.00 -0.52 0.00 0.00 37.83 32.85 2da3 s LYS 74 CO 0.79 -2.81 1.26 0.43 -0.92 0.00 0.00 175.35 174.10 2da3 n SER 75 N 13.94 2.62 0.00 2.83 7.64 -1.26 -4.93 113.62 134.47 2da3 n SER 75 Ca 0.31 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.39 2da3 n SER 75 Cb 0.52 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2da3 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2da3 n GLY 76 N 0.81 4.41 3.72 0.23 0.00 -1.26 -5.11 105.19 107.98 2da3 n GLY 76 Ca 0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.34 4.34 -0.37 1.61 0.04 -1.26 -5.00 135.00 131.02 2da3 s PRO 77 Ca 0.00 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 2da3 s PRO 77 Cb 0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2da3 s PRO 77 CO 0.00 -0.39 0.25 0.45 0.04 0.00 0.00 177.00 177.36 2da3 s SER 78 N 0.97 6.00 0.13 6.66 0.15 -1.26 -5.07 113.70 121.28 2da3 s SER 78 Ca 0.63 -0.67 -0.26 0.00 0.70 0.00 0.00 55.95 56.35 2da3 s SER 78 Cb -0.36 -2.12 -0.07 0.00 -1.71 0.00 0.00 66.02 61.76 2da3 s SER 78 CO 0.31 -0.33 0.79 -0.94 1.20 0.00 0.00 173.24 174.27 2da3 s SER 79 N 1.68 7.35 0.00 5.45 1.04 -1.26 -5.34 113.70 122.62 2da3 s SER 79 Ca 0.05 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2da3 s SER 79 Cb -0.18 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2da3 s SER 79 CO 0.10 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.06