#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 -0.68 0.11 1.61 0.01 -1.26 -5.18 113.70 108.31 2da3 s SER 2 Ca 0.00 0.90 0.06 0.00 1.31 0.00 0.00 55.95 58.22 2da3 s SER 2 Cb 0.00 0.77 -0.04 0.00 0.21 0.00 0.00 66.02 66.96 2da3 s SER 2 CO 0.00 -0.52 -0.14 -0.44 0.41 0.00 0.00 173.24 172.55 2da3 s SER 3 N -0.80 1.94 -0.13 2.44 0.01 -1.26 -5.03 113.70 110.87 2da3 s SER 3 Ca -0.08 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 2da3 s SER 3 Cb -0.01 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.16 2da3 s SER 3 CO 0.08 -0.13 2.42 0.61 0.41 0.00 0.00 173.24 176.63 2da3 n GLY 4 N 0.70 3.22 4.38 3.44 0.00 -1.26 -4.77 105.19 110.90 2da3 n GLY 4 Ca -0.17 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2da3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2da3 n SER 5 N 1.33 -1.17 -4.91 1.61 7.64 -1.26 -4.89 113.62 111.97 2da3 n SER 5 Ca 0.22 -1.20 -0.29 0.00 1.01 0.00 0.00 58.87 58.61 2da3 n SER 5 Cb 0.61 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 2da3 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2da3 s SER 6 N -3.40 6.43 0.00 6.43 0.01 -1.26 -5.09 113.70 116.82 2da3 s SER 6 Ca 0.63 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2da3 s SER 6 Cb -0.37 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2da3 s SER 6 CO 0.98 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.15 2da3 n GLY 7 N -0.63 1.18 3.39 3.44 0.00 -1.26 -5.10 105.19 106.21 2da3 n GLY 7 Ca -0.03 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.04 -0.05 -0.02 0.00 -1.26 -4.99 107.32 103.04 2da3 s GLY 8 Ca 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 44.72 42.03 2da3 s GLY 8 CO 0.00 1.66 0.08 -1.59 0.00 0.00 0.00 173.10 173.25 2da3 s THR 9 N 2.09 -0.13 0.00 0.90 2.01 -1.26 -5.01 115.64 114.25 2da3 s THR 9 Ca 0.20 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2da3 s THR 9 Cb -0.14 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.19 2da3 s THR 9 CO -0.03 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2da3 n GLY 10 N 5.01 1.24 0.00 4.40 0.00 -1.26 -5.04 105.19 109.54 2da3 n GLY 10 Ca -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.53 3.57 -0.02 0.00 -1.26 -5.05 105.19 101.90 2da3 n GLY 11 Ca 0.00 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 2da3 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2da3 s GLU 12 N -1.39 3.17 0.05 1.61 0.41 -1.26 -4.99 118.70 116.30 2da3 s GLU 12 Ca 0.00 0.65 -0.00 0.00 -0.41 0.00 0.00 54.97 55.21 2da3 s GLU 12 Cb 0.00 -4.19 -0.04 0.00 -1.78 0.00 0.00 34.13 28.12 2da3 s GLU 12 CO 0.00 -2.08 0.20 -1.21 -0.49 0.00 0.00 175.26 171.68 2da3 s GLU 13 N 5.84 3.43 0.07 1.61 2.02 -1.26 -5.07 118.70 125.35 2da3 s GLU 13 Ca 0.60 -0.43 -0.31 0.00 0.02 0.00 0.00 54.97 54.85 2da3 s GLU 13 Cb -0.13 -3.04 -0.07 0.00 0.10 0.00 0.00 34.13 30.99 2da3 s GLU 13 CO 0.26 0.62 1.39 -1.25 0.02 0.00 0.00 175.26 176.29 2da3 s PRO 14 N -2.45 4.31 -0.23 0.39 0.04 -1.26 -5.00 135.00 130.81 2da3 s PRO 14 Ca 0.34 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.21 2da3 s PRO 14 Cb -0.13 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 2da3 s PRO 14 CO 0.27 -0.48 0.62 1.14 0.04 0.00 0.00 177.00 178.59 2da3 s GLN 15 N 1.55 4.16 -0.04 4.56 -2.07 -1.26 -5.05 119.66 121.51 2da3 s GLN 15 Ca 0.64 0.56 0.00 0.00 -1.82 0.00 0.00 55.36 54.74 2da3 s GLN 15 Cb -0.35 -3.61 0.03 0.00 -1.09 0.00 0.00 33.01 27.99 2da3 s GLN 15 CO 0.29 -0.31 -0.01 0.50 -1.32 0.00 0.00 175.29 174.44 2da3 s ARG 16 N 2.17 0.50 0.29 9.60 3.52 -1.26 -5.14 118.95 128.63 2da3 s ARG 16 Ca 0.27 0.04 -0.17 0.00 -0.13 0.00 0.00 55.73 55.75 2da3 s ARG 16 Cb -0.16 -0.68 -0.09 0.00 -1.56 0.00 0.00 34.95 32.47 2da3 s ARG 16 CO 0.09 -0.16 0.74 -0.51 -0.81 0.00 0.00 175.30 174.65 2da3 s ASP 17 N 1.22 6.87 0.00 -2.12 1.01 -1.26 -4.99 116.67 117.39 2da3 s ASP 17 Ca -0.07 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.53 2da3 s ASP 17 Cb -0.13 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2da3 s ASP 17 CO -0.02 -0.14 0.00 0.29 0.21 0.00 0.00 175.17 175.51 2da3 n LYS 18 N -0.04 0.00 -3.25 8.23 5.02 -1.26 -5.07 118.16 121.78 2da3 n LYS 18 Ca 0.02 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 2da3 n LYS 18 Cb 0.52 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 2da3 n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2da3 s ARG 19 N -1.93 3.62 -0.04 1.97 1.70 -1.26 -5.10 118.95 117.91 2da3 s ARG 19 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 2da3 s ARG 19 Cb 0.00 -2.61 0.03 0.00 -0.57 0.00 0.00 34.95 31.80 2da3 s ARG 19 CO 0.00 0.16 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.86 2da3 s LEU 20 N -3.73 1.04 0.23 -1.89 1.02 -1.26 -4.93 118.68 109.15 2da3 s LEU 20 Ca 0.44 -0.06 0.11 0.00 0.02 0.00 0.00 54.13 54.64 2da3 s LEU 20 Cb -0.10 -0.32 -0.05 0.00 0.02 0.00 0.00 46.19 45.74 2da3 s LEU 20 CO 0.32 -0.11 -0.16 -0.13 0.02 0.00 0.00 176.35 176.28 2da3 s ARG 21 N 1.24 1.80 0.02 1.70 1.81 -1.26 -4.93 118.95 119.32 2da3 s ARG 21 Ca -0.07 -1.52 -0.27 0.00 -1.72 0.00 0.00 55.73 52.15 2da3 s ARG 21 Cb -0.13 -1.94 -0.16 0.00 -0.45 0.00 0.00 34.95 32.27 2da3 s ARG 21 CO -0.02 0.38 1.23 1.15 -0.68 0.00 0.00 175.30 177.36 2da3 h THR 22 N 2.65 0.34 -1.86 0.02 2.02 -2.01 -3.36 112.91 110.70 2da3 h THR 22 Ca -0.44 -0.38 -0.20 0.00 0.77 0.00 0.00 66.41 66.16 2da3 h THR 22 Cb 1.23 0.46 0.11 0.00 -1.74 0.00 0.00 68.15 68.21 2da3 h THR 22 CO 0.55 0.05 -0.26 0.35 0.37 0.00 0.00 175.52 176.57 2da3 n THR 23 N -5.30 0.00 -4.27 3.16 -2.24 -1.26 -4.88 114.28 99.49 2da3 n THR 23 Ca -0.11 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 2da3 n THR 23 Cb 0.33 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.06 1.20 0.17 2.28 1.01 -1.26 -4.92 121.20 117.61 2da3 s ILE 24 Ca 0.32 -2.07 0.08 0.00 0.00 0.00 0.00 60.65 58.98 2da3 s ILE 24 Cb -0.05 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2da3 s ILE 24 CO 0.30 -0.65 -0.05 0.42 0.00 0.00 0.00 174.94 174.96 2da3 s THR 25 N -3.31 3.47 -0.98 2.92 -4.23 -1.26 -5.01 115.64 107.24 2da3 s THR 25 Ca 0.19 -1.49 0.14 0.00 -1.18 0.00 0.00 61.69 59.36 2da3 s THR 25 Cb 0.03 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.27 2da3 s THR 25 CO 0.03 -0.08 1.46 -0.81 -0.54 0.00 0.00 174.62 174.68 2da3 n PRO 26 N 0.05 0.01 0.01 3.99 -0.04 -1.26 -2.04 135.00 135.72 2da3 n PRO 26 Ca -0.11 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2da3 n PRO 26 Cb 0.55 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.52 0.30 -0.10 0.54 1.02 -1.26 -4.40 120.64 115.21 2da3 n GLU 27 Ca 0.03 -0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 2da3 n GLU 27 Cb 0.17 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.90 0.62 -0.38 3.49 6.02 -0.86 -4.49 117.38 119.87 2da3 n GLN 28 Ca 0.01 0.35 -0.08 0.00 -0.01 0.00 0.00 57.00 57.27 2da3 n GLN 28 Cb 0.44 -1.62 -0.06 0.00 1.02 0.00 0.00 30.24 30.02 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 -0.65 -1.90 -0.71 1.08 3.38 -1.65 0.18 115.31 115.05 2da3 h LEU 29 Ca -0.52 0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.86 2da3 h LEU 29 Cb 1.63 0.87 -0.10 0.00 0.09 0.00 0.00 40.66 43.15 2da3 h LEU 29 CO -0.21 -0.27 -0.33 -0.62 0.09 0.00 0.00 178.44 177.11 2da3 n GLU 30 N -5.33 -0.22 -0.27 1.13 1.02 -1.26 0.20 120.64 115.91 2da3 n GLU 30 Ca 0.04 1.08 0.01 0.00 -0.02 0.00 0.00 57.16 58.27 2da3 n GLU 30 Cb 0.31 -1.59 0.14 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 0.92 -0.09 -3.67 2.04 -1.20 -0.29 117.51 115.20 2da3 h ILE 31 Ca 0.20 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2da3 h ILE 31 Cb 0.37 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2da3 h ILE 31 CO -0.69 0.13 0.03 -0.07 0.00 0.00 0.00 178.15 177.55 2da3 h LEU 32 N 0.74 0.14 -0.45 1.44 3.38 0.26 -1.76 115.31 119.07 2da3 h LEU 32 Ca 0.36 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2da3 h LEU 32 Cb 0.31 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2da3 h LEU 32 CO -0.23 0.32 0.19 1.88 0.09 0.00 0.00 178.44 180.69 2da3 h TYR 33 N -0.05 0.35 -0.93 1.13 0.05 0.04 0.21 116.97 117.78 2da3 h TYR 33 Ca 0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2da3 h TYR 33 Cb 0.23 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.84 2da3 h TYR 33 CO 0.00 0.16 0.58 1.96 -1.05 0.00 0.00 178.16 179.82 2da3 h GLN 34 N 0.39 1.24 -0.13 4.88 1.08 -0.98 0.43 115.11 122.02 2da3 h GLN 34 Ca 0.20 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.16 2da3 h GLN 34 Cb 0.15 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2da3 h GLN 34 CO -0.17 0.85 -0.53 0.87 -0.95 0.00 0.00 178.83 178.90 2da3 h LYS 35 N 1.27 0.37 -0.01 1.46 1.79 -0.59 -3.00 116.57 117.86 2da3 h LYS 35 Ca 0.34 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2da3 h LYS 35 Cb -0.10 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2da3 h LYS 35 CO -0.07 0.81 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.18 2da3 h TYR 36 N 0.29 0.04 -0.99 -1.35 3.20 0.01 0.50 116.97 118.67 2da3 h TYR 36 Ca 0.01 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.04 2da3 h TYR 36 Cb 1.02 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.19 2da3 h TYR 36 CO 0.03 0.53 0.61 -0.07 -1.64 0.00 0.00 178.16 177.62 2da3 h LEU 37 N -0.47 0.76 0.09 2.82 3.38 -0.96 -1.26 115.31 119.67 2da3 h LEU 37 Ca 0.00 0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 2da3 h LEU 37 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2da3 h LEU 37 CO 0.00 0.31 -1.55 0.17 0.09 0.00 0.00 178.44 177.46 2da3 h LEU 38 N 0.76 0.30 -7.14 1.67 8.10 -1.50 -3.44 115.31 114.07 2da3 h LEU 38 Ca 0.54 -0.45 -0.54 0.00 0.11 0.00 0.00 57.88 57.54 2da3 h LEU 38 Cb 0.84 -0.10 -0.40 0.00 -0.44 0.00 0.00 40.66 40.56 2da3 h LEU 38 CO -0.32 1.38 -0.76 -0.62 -4.11 0.00 0.00 178.44 174.01 2da3 s ASP 39 N -6.83 3.41 0.00 0.17 -1.08 0.17 -4.96 116.67 107.55 2da3 s ASP 39 Ca -0.09 -1.19 0.18 0.00 -0.52 0.00 0.00 52.55 50.94 2da3 s ASP 39 Cb 0.07 -0.64 -0.07 0.00 -1.46 0.00 0.00 42.92 40.82 2da3 s ASP 39 CO 0.84 -0.37 0.87 -1.20 0.52 0.00 0.00 175.17 175.83 2da3 n SER 40 N 5.02 1.43 -2.51 -0.34 7.64 -0.98 -3.81 113.62 120.07 2da3 n SER 40 Ca -0.06 -1.21 -0.17 0.00 1.01 0.00 0.00 58.87 58.43 2da3 n SER 40 Cb 0.44 0.67 0.02 0.00 -1.01 0.00 0.00 64.21 64.33 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 -0.58 3.28 -4.77 6.43 5.03 -1.26 -5.00 115.26 118.39 2da3 n ASN 41 Ca 0.06 -3.18 -0.31 0.00 0.87 0.00 0.00 54.58 52.02 2da3 n ASN 41 Cb 0.35 -0.47 0.08 0.00 -1.02 0.00 0.00 39.78 38.72 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 -3.45 2.34 0.26 3.52 0.04 -1.26 -5.06 135.00 131.39 2da3 s PRO 42 Ca 0.39 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.66 2da3 s PRO 42 Cb 0.41 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 33.01 2da3 s PRO 42 CO -0.06 -1.58 0.41 -0.08 0.04 0.00 0.00 177.00 175.73 2da3 s THR 43 N -2.82 5.21 0.28 1.26 -1.32 -1.26 -4.89 115.64 112.11 2da3 s THR 43 Ca 0.62 -0.73 0.06 0.00 -1.21 0.00 0.00 61.69 60.42 2da3 s THR 43 Cb -0.18 -3.84 0.35 0.00 -1.51 0.00 0.00 72.50 67.33 2da3 s THR 43 CO 0.54 -0.36 1.36 -1.14 -2.21 0.00 0.00 174.62 172.81 2da3 n ARG 44 N -1.36 -0.06 -0.02 7.08 3.00 -1.26 0.55 116.66 124.59 2da3 n ARG 44 Ca -0.07 1.27 -0.10 0.00 -0.00 0.00 0.00 57.85 58.95 2da3 n ARG 44 Cb 0.56 -2.08 -0.04 0.00 0.00 0.00 0.00 32.46 30.90 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 -0.35 0.50 -0.14 1.63 -1.99 -0.35 116.57 115.87 2da3 h LYS 45 Ca 0.58 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.38 2da3 h LYS 45 Cb 1.29 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.99 2da3 h LYS 45 CO -0.78 -0.23 -0.36 0.52 -3.45 0.00 0.00 179.45 175.15 2da3 h MET 46 N -0.36 -0.80 -1.08 1.90 2.86 -0.26 -1.39 114.93 115.80 2da3 h MET 46 Ca 0.11 0.05 0.31 0.00 -2.06 0.00 0.00 59.70 58.11 2da3 h MET 46 Cb 0.54 0.18 -0.12 0.00 0.06 0.00 0.00 31.60 32.26 2da3 h MET 46 CO -0.39 -0.53 0.67 -0.07 1.06 0.00 0.00 176.91 177.65 2da3 h LEU 47 N -0.83 0.46 -0.06 1.22 3.38 -1.07 0.28 115.31 118.68 2da3 h LEU 47 Ca -0.05 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2da3 h LEU 47 Cb 0.70 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2da3 h LEU 47 CO 0.02 -0.01 -0.04 -0.78 0.09 0.00 0.00 178.44 177.72 2da3 h ASP 48 N 0.35 0.14 0.68 -0.43 3.58 -0.46 -2.39 116.42 117.90 2da3 h ASP 48 Ca 0.68 -0.43 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 2da3 h ASP 48 Cb 1.70 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.72 2da3 h ASP 48 CO -0.42 0.54 -0.33 -0.74 -2.88 0.00 0.00 179.24 175.41 2da3 h HIS 49 N -0.25 -0.85 -0.76 0.28 2.76 0.32 -2.14 115.15 114.50 2da3 h HIS 49 Ca 0.01 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.34 2da3 h HIS 49 Cb 0.49 0.28 -0.12 0.00 1.55 0.00 0.00 27.41 29.61 2da3 h HIS 49 CO 0.07 -0.50 0.11 0.82 -1.30 0.00 0.00 177.93 177.13 2da3 h ILE 50 N -1.05 0.41 0.00 6.26 2.04 -0.70 0.99 117.51 125.46 2da3 h ILE 50 Ca -0.09 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2da3 h ILE 50 Cb 0.73 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2da3 h ILE 50 CO 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 2da3 h ALA 51 N 1.68 1.06 0.13 1.87 0.00 -1.33 -0.31 119.26 122.35 2da3 h ALA 51 Ca 0.43 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.03 2da3 h ALA 51 Cb 0.78 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2da3 h ALA 51 CO -0.60 0.04 -1.38 1.25 0.00 0.00 0.00 179.25 178.56 2da3 h HIS 52 N 0.00 0.48 0.13 0.00 -0.00 0.16 -2.19 115.15 113.74 2da3 h HIS 52 Ca -0.00 -0.35 -0.28 0.00 -0.00 0.00 0.00 60.37 59.74 2da3 h HIS 52 Cb 0.29 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.69 2da3 h HIS 52 CO 0.00 1.33 -1.24 1.05 -0.00 0.00 0.00 177.93 179.07 2da3 h GLU 53 N 0.07 0.36 0.00 5.26 4.11 -0.62 -3.26 114.58 120.50 2da3 h GLU 53 Ca -0.19 -0.56 -0.06 0.00 0.07 0.00 0.00 59.36 58.62 2da3 h GLU 53 Cb 2.00 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.44 2da3 h GLU 53 CO 0.19 1.25 -0.29 0.28 0.07 0.00 0.00 179.01 180.51 2da3 h VAL 54 N 0.12 0.54 -1.90 -1.06 2.07 -1.19 -3.48 116.25 111.35 2da3 h VAL 54 Ca -0.15 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 2da3 h VAL 54 Cb 1.95 2.12 0.03 0.00 -1.52 0.00 0.00 31.29 33.87 2da3 h VAL 54 CO 0.21 0.28 -0.16 0.61 0.02 0.00 0.00 177.57 178.53 2da3 n GLY 55 N 0.89 0.49 3.16 2.17 0.00 -0.91 -4.94 105.19 106.05 2da3 n GLY 55 Ca 0.02 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.35 2.08 -0.37 0.99 2.96 -0.87 -4.83 118.68 116.29 2da3 s LEU 56 Ca 0.12 -0.36 -0.41 0.00 -0.22 0.00 0.00 54.13 53.26 2da3 s LEU 56 Cb -0.05 -0.82 -0.18 0.00 0.50 0.00 0.00 46.19 45.64 2da3 s LEU 56 CO 0.14 0.16 1.34 0.29 -1.32 0.00 0.00 176.35 176.96 2da3 n LYS 57 N 2.39 0.00 -0.28 1.98 4.76 -1.26 -4.65 118.16 121.09 2da3 n LYS 57 Ca -0.16 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.39 2da3 n LYS 57 Cb 0.54 -1.33 0.25 0.00 -1.84 0.00 0.00 35.03 32.65 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 4.13 0.22 0.22 1.97 3.11 -1.91 -0.55 116.57 123.77 2da3 h LYS 58 Ca -0.40 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.43 2da3 h LYS 58 Cb 1.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.38 2da3 h LYS 58 CO 0.82 0.15 -0.30 -0.09 -2.81 0.00 0.00 179.45 177.21 2da3 h ARG 59 N 0.23 -0.56 -0.97 1.90 9.65 -1.95 0.50 114.38 123.18 2da3 h ARG 59 Ca 0.51 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.55 2da3 h ARG 59 Cb 0.97 0.13 -0.08 0.00 -1.39 0.00 0.00 29.97 29.59 2da3 h ARG 59 CO -0.61 -0.38 0.61 0.28 2.80 0.00 0.00 179.97 182.68 2da3 h VAL 60 N -0.58 0.89 -0.11 0.20 2.07 -1.49 0.19 116.25 117.41 2da3 h VAL 60 Ca 0.01 -0.31 -0.18 0.00 0.82 0.00 0.00 66.70 67.03 2da3 h VAL 60 Cb 0.57 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2da3 h VAL 60 CO -0.11 0.16 -0.69 0.58 0.02 0.00 0.00 177.57 177.53 2da3 h VAL 61 N 0.90 1.36 -0.07 2.57 2.07 -0.57 -0.50 116.25 122.00 2da3 h VAL 61 Ca 0.49 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2da3 h VAL 61 Cb 0.57 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2da3 h VAL 61 CO -0.25 0.62 -0.05 -0.61 0.02 0.00 0.00 177.57 177.30 2da3 h GLN 62 N 0.33 0.16 -0.34 1.57 4.15 0.15 -3.21 115.11 117.91 2da3 h GLN 62 Ca -0.02 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 2da3 h GLN 62 Cb 1.27 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2da3 h GLN 62 CO 0.12 0.56 -0.22 0.28 -1.93 0.00 0.00 178.83 177.65 2da3 h VAL 63 N -0.25 1.29 -0.68 2.39 2.07 -0.76 -2.87 116.25 117.44 2da3 h VAL 63 Ca 0.01 -1.36 0.20 0.00 0.82 0.00 0.00 66.70 66.37 2da3 h VAL 63 Cb 0.52 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2da3 h VAL 63 CO 0.01 0.44 0.72 -0.25 0.02 0.00 0.00 177.57 178.52 2da3 h TRP 64 N 0.53 0.00 0.00 1.57 7.01 -1.13 0.14 115.95 124.08 2da3 h TRP 64 Ca 0.07 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.02 2da3 h TRP 64 Cb 0.77 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.82 2da3 h TRP 64 CO 0.06 0.00 -0.30 0.74 -2.79 0.00 0.00 178.44 176.15 2da3 h PHE 65 N 0.00 0.00 -0.39 2.65 -1.00 -1.51 -3.00 116.94 113.69 2da3 h PHE 65 Ca 0.32 0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.14 2da3 h PHE 65 Cb 1.76 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.30 2da3 h PHE 65 CO 0.00 0.93 0.26 -0.56 -1.61 0.00 0.00 178.31 177.33 2da3 h GLN 66 N -1.00 0.37 -0.06 1.51 3.07 -0.98 -2.20 115.11 115.82 2da3 h GLN 66 Ca -0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.61 2da3 h GLN 66 Cb 0.92 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 2da3 h GLN 66 CO -0.05 0.24 -0.08 -0.91 0.09 0.00 0.00 178.83 178.13 2da3 h ASN 67 N 0.38 0.17 -0.27 0.06 2.35 -0.93 -2.97 115.58 114.36 2da3 h ASN 67 Ca 0.16 -0.52 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 2da3 h ASN 67 Cb 0.16 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 2da3 h ASN 67 CO -0.04 0.65 -0.08 0.74 -1.65 0.00 0.00 177.43 177.06 2da3 h THR 68 N -0.32 0.71 -0.49 2.81 2.02 -1.29 -2.22 112.91 114.14 2da3 h THR 68 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2da3 h THR 68 Cb 0.61 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 2da3 h THR 68 CO 0.02 0.00 0.06 0.03 0.37 0.00 0.00 175.52 176.00 2da3 h ARG 69 N -0.01 0.18 -0.98 6.66 3.08 -1.47 -0.94 114.38 120.91 2da3 h ARG 69 Ca 0.13 -0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.48 2da3 h ARG 69 Cb 0.21 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.07 2da3 h ARG 69 CO -0.29 0.12 0.48 0.00 -1.07 0.00 0.00 179.97 179.21 2da3 h ALA 70 N 1.40 1.80 0.15 0.04 0.00 -1.23 0.18 119.26 121.60 2da3 h ALA 70 Ca 0.25 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2da3 h ALA 70 Cb 0.35 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2da3 h ALA 70 CO -0.35 -0.58 -0.07 0.00 0.00 0.00 0.00 179.25 178.25 2da3 h ARG 71 N 0.26 -0.19 -0.83 0.00 3.08 -1.13 -2.49 114.38 113.08 2da3 h ARG 71 Ca 0.70 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.93 2da3 h ARG 71 Cb 1.58 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.57 2da3 h ARG 71 CO -0.64 0.26 0.37 0.93 -1.07 0.00 0.00 179.97 179.81 2da3 h GLU 72 N -0.79 0.47 0.00 0.04 4.39 -0.56 0.52 114.58 118.64 2da3 h GLU 72 Ca -0.02 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2da3 h GLU 72 Cb 0.53 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2da3 h GLU 72 CO 0.03 0.31 -0.07 0.07 -1.16 0.00 0.00 179.01 178.19 2da3 h ARG 73 N 0.48 0.00 -1.93 2.33 0.11 -0.78 -3.21 114.38 111.38 2da3 h ARG 73 Ca 0.47 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.37 2da3 h ARG 73 Cb 0.77 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.78 2da3 h ARG 73 CO -0.43 0.07 -0.03 1.17 0.10 0.00 0.00 179.97 180.85 2da3 n LYS 74 N -3.20 1.69 -0.02 0.08 3.00 0.18 -4.33 118.16 115.56 2da3 n LYS 74 Ca 0.01 -0.93 -0.16 0.00 -0.00 0.00 0.00 58.31 57.22 2da3 n LYS 74 Cb 0.35 -1.62 -0.13 0.00 0.00 0.00 0.00 35.03 33.63 2da3 n LYS 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2da3 h SER 75 N 2.10 0.20 0.00 3.14 0.02 -1.67 -3.44 113.55 113.89 2da3 h SER 75 Ca 0.17 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2da3 h SER 75 Cb 1.14 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2da3 h SER 75 CO 0.32 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 2da3 n GLY 76 N 1.48 0.20 3.70 -3.77 0.00 -1.26 -4.82 105.19 100.72 2da3 n GLY 76 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 4.29 0.29 1.61 0.04 -1.26 -5.02 135.00 134.94 2da3 s PRO 77 Ca 0.00 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2da3 s PRO 77 Cb 0.00 -3.49 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 2da3 s PRO 77 CO 0.00 -0.55 0.05 -1.54 0.04 0.00 0.00 177.00 175.00 2da3 s SER 78 N 1.74 2.03 -0.40 6.66 1.04 -1.26 -4.82 113.70 118.68 2da3 s SER 78 Ca 0.65 -1.34 -0.34 0.00 0.48 0.00 0.00 55.95 55.41 2da3 s SER 78 Cb -0.34 -0.02 -0.15 0.00 0.10 0.00 0.00 66.02 65.62 2da3 s SER 78 CO 0.28 -0.60 1.66 -0.24 0.98 0.00 0.00 173.24 175.32 2da3 n SER 79 N -0.58 0.57 0.00 7.02 2.88 -1.26 -5.21 113.62 117.04 2da3 n SER 79 Ca -0.02 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2da3 n SER 79 Cb 0.66 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2da3 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42