#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 -0.34 0.45 1.61 0.15 -1.26 -5.17 113.70 109.14 2da3 s SER 2 Ca 0.00 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.35 2da3 s SER 2 Cb 0.00 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2da3 s SER 2 CO 0.00 -0.14 0.05 -0.94 1.20 0.00 0.00 173.24 173.41 2da3 s SER 3 N 0.78 4.08 0.00 5.45 1.04 -1.26 -5.15 113.70 118.64 2da3 s SER 3 Ca -0.05 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2da3 s SER 3 Cb -0.06 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2da3 s SER 3 CO -0.05 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2da3 n GLY 4 N -1.14 1.36 3.31 7.32 0.00 -1.26 -5.10 105.19 109.68 2da3 n GLY 4 Ca -0.09 -0.81 -0.59 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.29 0.98 -4.69 1.61 7.64 -1.26 -4.74 113.62 112.87 2da3 n SER 5 Ca 0.00 0.68 -0.52 0.00 1.01 0.00 0.00 58.87 60.04 2da3 n SER 5 Cb 0.00 -0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 2da3 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2da3 n SER 6 N 7.59 3.02 0.00 6.43 3.41 -1.26 -4.66 113.62 128.15 2da3 n SER 6 Ca 0.51 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 60.14 2da3 n SER 6 Cb -0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 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 4.29 1.73 0.60 5.00 0.00 -1.26 -5.12 105.19 110.43 2da3 n GLY 7 Ca 0.24 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 1.64 -0.76 1.72 -0.02 0.00 -1.26 -5.04 105.19 101.48 2da3 n GLY 8 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.07 2.09 0.00 2.61 5.66 -1.26 -4.92 114.28 118.39 2da3 n THR 9 Ca 0.00 -3.55 0.00 0.00 -3.05 0.00 0.00 64.05 57.45 2da3 n THR 9 Cb 0.00 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 2da3 n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2da3 n GLY 10 N -0.72 3.77 7.00 1.09 0.00 -1.26 -5.10 105.19 109.97 2da3 n GLY 10 Ca 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 3.51 -0.02 0.00 -1.26 -4.78 105.19 102.62 2da3 n GLY 11 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2da3 n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2da3 s GLU 12 N 0.00 2.00 0.02 1.61 -1.05 -1.26 -5.14 118.70 114.89 2da3 s GLU 12 Ca 0.00 -1.06 -0.05 0.00 -0.15 0.00 0.00 54.97 53.72 2da3 s GLU 12 Cb 0.00 -2.21 -0.01 0.00 -0.44 0.00 0.00 34.13 31.47 2da3 s GLU 12 CO 0.00 0.51 0.08 -1.21 0.95 0.00 0.00 175.26 175.59 2da3 s GLU 13 N -1.94 0.49 -0.45 -4.83 2.02 -1.26 -5.11 118.70 107.61 2da3 s GLU 13 Ca 0.18 -0.59 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 2da3 s GLU 13 Cb -0.11 0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 2da3 s GLU 13 CO 0.10 -0.11 1.77 -1.25 0.02 0.00 0.00 175.26 175.78 2da3 s PRO 14 N -1.89 3.09 -0.74 0.39 0.04 -1.26 -4.95 135.00 129.67 2da3 s PRO 14 Ca -0.11 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.76 2da3 s PRO 14 Cb -0.06 -4.25 0.11 0.00 0.04 0.00 0.00 34.50 30.35 2da3 s PRO 14 CO -0.01 -2.16 0.94 1.14 0.04 0.00 0.00 177.00 176.94 2da3 s GLN 15 N 6.10 3.29 -0.30 4.56 0.00 -1.26 -4.95 119.66 127.10 2da3 s GLN 15 Ca 0.72 -1.38 -0.13 0.00 -0.00 0.00 0.00 55.36 54.57 2da3 s GLN 15 Cb -0.17 -4.49 0.14 0.00 0.00 0.00 0.00 33.01 28.49 2da3 s GLN 15 CO 0.28 -1.70 0.79 -0.98 0.00 0.00 0.00 175.29 173.68 2da3 s ARG 16 N 2.98 0.49 -0.41 9.60 1.70 -1.26 -5.13 118.95 126.92 2da3 s ARG 16 Ca 0.23 1.14 -0.15 0.00 -0.47 0.00 0.00 55.73 56.47 2da3 s ARG 16 Cb -0.14 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2da3 s ARG 16 CO 0.01 -0.15 0.31 0.16 -1.08 0.00 0.00 175.30 174.54 2da3 s ASP 17 N 2.47 6.11 -0.23 -2.89 -4.77 -1.26 -4.90 116.67 111.19 2da3 s ASP 17 Ca -0.06 -0.91 -0.03 0.00 -3.30 0.00 0.00 52.55 48.25 2da3 s ASP 17 Cb -0.09 -2.16 -0.13 0.00 -1.09 0.00 0.00 42.92 39.45 2da3 s ASP 17 CO -0.18 -0.46 -0.24 1.17 0.70 0.00 0.00 175.17 176.16 2da3 n LYS 18 N 5.17 0.55 -4.03 2.11 3.00 -1.26 -4.93 118.16 118.77 2da3 n LYS 18 Ca -0.11 0.17 -0.34 0.00 -0.00 0.00 0.00 58.31 58.02 2da3 n LYS 18 Cb 0.47 -1.42 -0.14 0.00 0.00 0.00 0.00 35.03 33.93 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2da3 s ARG 19 N -2.45 3.30 0.05 1.64 6.06 -1.26 -4.98 118.95 121.31 2da3 s ARG 19 Ca -0.32 -0.67 -0.01 0.00 -2.50 0.00 0.00 55.73 52.23 2da3 s ARG 19 Cb 0.10 -2.88 -0.00 0.00 0.06 0.00 0.00 34.95 32.22 2da3 s ARG 19 CO 0.49 -0.16 -0.01 1.28 -2.50 0.00 0.00 175.30 174.40 2da3 n LEU 20 N 4.65 0.71 -3.64 -0.88 4.77 -1.26 -5.15 117.00 116.19 2da3 n LEU 20 Ca -0.19 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 55.89 2da3 n LEU 20 Cb 0.51 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2da3 n LEU 20 CO 0.28 -0.64 1.01 -0.60 -1.33 0.00 0.00 177.39 176.12 2da3 s ARG 21 N -1.64 0.50 -0.28 3.23 3.52 -1.26 -5.05 118.95 117.97 2da3 s ARG 21 Ca -0.01 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.40 2da3 s ARG 21 Cb 0.00 0.17 0.45 0.00 -1.56 0.00 0.00 34.95 34.02 2da3 s ARG 21 CO 0.02 -0.23 1.31 0.25 -0.81 0.00 0.00 175.30 175.83 2da3 n THR 22 N -0.48 2.47 -4.20 4.11 -2.24 -1.26 -4.71 114.28 107.98 2da3 n THR 22 Ca -0.08 -3.47 -0.17 0.00 -2.27 0.00 0.00 64.05 58.07 2da3 n THR 22 Cb 0.62 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 2da3 n THR 22 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2da3 s THR 23 N -3.80 0.00 0.14 4.28 -4.23 -1.26 -5.14 115.64 105.63 2da3 s THR 23 Ca 0.45 -1.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.18 2da3 s THR 23 Cb 0.40 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2da3 s THR 23 CO -0.01 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.25 2da3 s ILE 24 N -3.44 1.71 0.19 2.99 1.01 -1.26 -4.92 121.20 117.48 2da3 s ILE 24 Ca 0.37 -1.78 0.07 0.00 0.00 0.00 0.00 60.65 59.31 2da3 s ILE 24 Cb 0.02 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 2da3 s ILE 24 CO 0.23 -0.26 0.05 0.42 0.00 0.00 0.00 174.94 175.38 2da3 s THR 25 N -1.81 3.96 -0.78 2.92 -4.23 -1.26 -5.01 115.64 109.43 2da3 s THR 25 Ca 0.12 -1.37 0.18 0.00 -1.18 0.00 0.00 61.69 59.44 2da3 s THR 25 Cb -0.07 -3.02 0.17 0.00 1.34 0.00 0.00 72.50 70.92 2da3 s THR 25 CO 0.05 -0.15 1.56 -0.81 -0.54 0.00 0.00 174.62 174.73 2da3 n PRO 26 N -0.33 0.08 0.01 3.99 -0.04 -1.26 -1.79 135.00 135.66 2da3 n PRO 26 Ca -0.09 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2da3 n PRO 26 Cb 0.56 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.81 0.31 -0.10 0.54 -0.58 -1.26 -4.33 120.64 113.40 2da3 n GLU 27 Ca 0.03 -0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 2da3 n GLU 27 Cb 0.19 -1.56 -0.12 0.00 -0.57 0.00 0.00 31.44 29.38 2da3 n GLU 27 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2da3 n GLN 28 N -1.93 0.66 -0.17 3.49 6.02 -0.88 -4.52 117.38 120.06 2da3 n GLN 28 Ca 0.01 0.23 -0.10 0.00 -0.01 0.00 0.00 57.00 57.13 2da3 n GLN 28 Cb 0.44 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 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 -0.21 -1.58 -0.71 1.08 3.38 -1.56 -1.20 115.31 114.51 2da3 h LEU 29 Ca -0.54 0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.77 2da3 h LEU 29 Cb 1.85 0.69 -0.11 0.00 0.09 0.00 0.00 40.66 43.17 2da3 h LEU 29 CO -0.11 -0.36 -0.29 -0.62 0.09 0.00 0.00 178.44 177.15 2da3 n GLU 30 N -5.40 -0.18 -0.34 1.13 1.02 -1.26 0.23 120.64 115.84 2da3 n GLU 30 Ca -0.00 1.08 -0.01 0.00 -0.02 0.00 0.00 57.16 58.21 2da3 n GLU 30 Cb 0.35 -1.61 0.12 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 1.16 -0.19 -3.67 2.04 -1.47 -0.60 117.51 114.77 2da3 h ILE 31 Ca 0.23 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2da3 h ILE 31 Cb 0.41 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2da3 h ILE 31 CO -0.70 0.21 0.04 -0.07 0.00 0.00 0.00 178.15 177.64 2da3 h LEU 32 N 1.16 0.30 -0.32 1.44 3.38 0.33 -1.90 115.31 119.70 2da3 h LEU 32 Ca 0.37 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2da3 h LEU 32 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2da3 h LEU 32 CO -0.12 0.46 0.21 1.88 0.09 0.00 0.00 178.44 180.96 2da3 h TYR 33 N 0.12 0.39 -0.95 1.13 0.05 -0.07 0.65 116.97 118.29 2da3 h TYR 33 Ca 0.06 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.89 2da3 h TYR 33 Cb 0.28 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.83 2da3 h TYR 33 CO 0.01 0.24 0.61 1.96 -1.05 0.00 0.00 178.16 179.94 2da3 h GLN 34 N 0.42 1.15 0.00 4.88 1.08 -1.05 0.57 115.11 122.16 2da3 h GLN 34 Ca 0.12 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.12 2da3 h GLN 34 Cb -0.04 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 2da3 h GLN 34 CO -0.03 0.76 -0.60 0.87 -0.95 0.00 0.00 178.83 178.88 2da3 h LYS 35 N 1.18 0.00 0.06 1.46 1.79 -0.90 -3.16 116.57 117.01 2da3 h LYS 35 Ca 0.38 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2da3 h LYS 35 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2da3 h LYS 35 CO -0.13 0.60 -0.03 -0.92 -1.08 0.00 0.00 179.45 177.90 2da3 h TYR 36 N 0.00 -0.07 -1.01 -1.35 3.20 0.16 0.21 116.97 118.11 2da3 h TYR 36 Ca -0.01 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.11 2da3 h TYR 36 Cb 1.07 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 2da3 h TYR 36 CO 0.00 0.49 0.60 -0.07 -1.64 0.00 0.00 178.16 177.54 2da3 h LEU 37 N -0.71 0.65 0.12 2.82 3.38 -0.97 0.00 115.31 120.60 2da3 h LEU 37 Ca -0.01 0.13 -0.31 0.00 0.09 0.00 0.00 57.88 57.78 2da3 h LEU 37 Cb 0.59 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2da3 h LEU 37 CO 0.01 0.10 -1.58 0.17 0.09 0.00 0.00 178.44 177.23 2da3 h LEU 38 N 0.56 0.40 -7.09 1.67 8.10 -1.57 -3.43 115.31 113.94 2da3 h LEU 38 Ca 0.64 -0.58 -0.55 0.00 0.11 0.00 0.00 57.88 57.50 2da3 h LEU 38 Cb 1.27 -0.13 -0.40 0.00 -0.44 0.00 0.00 40.66 40.96 2da3 h LEU 38 CO -0.46 1.48 -0.76 -0.62 -4.11 0.00 0.00 178.44 173.97 2da3 s ASP 39 N -6.98 3.66 0.00 0.17 -1.08 0.74 -4.95 116.67 108.23 2da3 s ASP 39 Ca -0.10 -1.37 0.19 0.00 -0.52 0.00 0.00 52.55 50.75 2da3 s ASP 39 Cb 0.07 -0.68 -0.11 0.00 -1.46 0.00 0.00 42.92 40.74 2da3 s ASP 39 CO 0.85 -0.40 0.86 -1.20 0.52 0.00 0.00 175.17 175.81 2da3 n SER 40 N 4.99 1.31 -2.53 -0.34 7.64 -0.87 -3.86 113.62 119.97 2da3 n SER 40 Ca -0.05 -1.15 -0.17 0.00 1.01 0.00 0.00 58.87 58.51 2da3 n SER 40 Cb 0.43 0.76 0.02 0.00 -1.01 0.00 0.00 64.21 64.41 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 -0.81 3.18 -4.70 6.43 3.02 -1.26 -4.93 115.26 116.19 2da3 n ASN 41 Ca 0.06 -3.15 -0.29 0.00 -0.03 0.00 0.00 54.58 51.16 2da3 n ASN 41 Cb 0.34 -0.47 0.15 0.00 -0.61 0.00 0.00 39.78 39.19 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 -3.43 0.98 0.24 3.52 0.04 -1.26 -5.06 135.00 130.02 2da3 s PRO 42 Ca 0.38 0.73 0.06 0.00 0.04 0.00 0.00 61.00 62.21 2da3 s PRO 42 Cb 0.41 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 33.13 2da3 s PRO 42 CO -0.06 -2.41 0.24 -0.08 0.04 0.00 0.00 177.00 174.74 2da3 s THR 43 N -2.94 4.70 0.30 1.26 -1.32 -1.26 -4.89 115.64 111.49 2da3 s THR 43 Ca 0.64 -1.25 0.08 0.00 -1.21 0.00 0.00 61.69 59.95 2da3 s THR 43 Cb -0.18 -3.53 0.36 0.00 -1.51 0.00 0.00 72.50 67.64 2da3 s THR 43 CO 0.57 -0.32 1.44 0.54 -2.21 0.00 0.00 174.62 174.64 2da3 n ARG 44 N -1.18 -0.07 -0.11 7.08 5.12 -1.26 0.98 116.66 127.23 2da3 n ARG 44 Ca -0.08 1.34 -0.05 0.00 -1.93 0.00 0.00 57.85 57.12 2da3 n ARG 44 Cb 0.57 -2.21 0.01 0.00 -1.16 0.00 0.00 32.46 29.67 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 0.03 0.46 5.56 1.63 -2.00 -1.28 116.57 120.97 2da3 h LYS 45 Ca 0.63 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.41 2da3 h LYS 45 Cb 1.46 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 2da3 h LYS 45 CO -0.81 0.02 -0.22 0.52 -3.45 0.00 0.00 179.45 175.51 2da3 h MET 46 N 0.03 -0.60 -1.35 1.90 2.86 0.25 -2.69 114.93 115.33 2da3 h MET 46 Ca 0.18 0.04 0.39 0.00 -2.06 0.00 0.00 59.70 58.25 2da3 h MET 46 Cb 0.27 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 2da3 h MET 46 CO -0.35 -0.30 1.01 -0.07 1.06 0.00 0.00 176.91 178.25 2da3 h LEU 47 N -0.88 0.00 -0.03 1.22 3.38 -1.02 0.42 115.31 118.40 2da3 h LEU 47 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2da3 h LEU 47 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2da3 h LEU 47 CO 0.10 0.00 -0.30 -0.78 0.09 0.00 0.00 178.44 177.55 2da3 h ASP 48 N 0.00 0.32 0.80 -0.43 1.82 -0.98 -2.89 116.42 115.07 2da3 h ASP 48 Ca 0.64 -0.70 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 2da3 h ASP 48 Cb 2.65 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 42.57 2da3 h ASP 48 CO -0.01 0.97 -0.38 -0.74 -1.61 0.00 0.00 179.24 177.47 2da3 h HIS 49 N -0.30 -1.00 -0.72 0.28 2.76 0.09 -1.96 115.15 114.31 2da3 h HIS 49 Ca -0.03 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.28 2da3 h HIS 49 Cb 0.99 0.33 -0.13 0.00 1.55 0.00 0.00 27.41 30.15 2da3 h HIS 49 CO 0.15 -0.61 -0.02 0.82 -1.30 0.00 0.00 177.93 176.98 2da3 h ILE 50 N -1.19 0.37 0.00 6.26 2.04 -1.33 0.92 117.51 124.58 2da3 h ILE 50 Ca -0.11 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2da3 h ILE 50 Cb 0.84 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2da3 h ILE 50 CO 0.18 0.02 -0.06 0.00 0.00 0.00 0.00 178.15 178.29 2da3 h ALA 51 N 1.67 1.23 0.24 1.87 0.00 -1.44 0.10 119.26 122.94 2da3 h ALA 51 Ca 0.38 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.91 2da3 h ALA 51 Cb 0.65 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.47 2da3 h ALA 51 CO -0.64 0.07 -1.46 1.25 0.00 0.00 0.00 179.25 178.47 2da3 h HIS 52 N 0.00 0.94 -0.02 0.00 -0.00 0.16 -1.62 115.15 114.61 2da3 h HIS 52 Ca -0.00 -0.68 -0.22 0.00 -0.00 0.00 0.00 60.37 59.47 2da3 h HIS 52 Cb 0.22 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2da3 h HIS 52 CO 0.00 1.53 -0.89 1.05 -0.00 0.00 0.00 177.93 179.62 2da3 h GLU 53 N 0.14 0.43 0.00 5.26 4.11 -0.53 -3.21 114.58 120.78 2da3 h GLU 53 Ca -0.24 -0.43 -0.14 0.00 0.07 0.00 0.00 59.36 58.62 2da3 h GLU 53 Cb 2.15 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.50 2da3 h GLU 53 CO 0.27 1.09 -0.66 0.28 0.07 0.00 0.00 179.01 180.06 2da3 h VAL 54 N 0.25 1.19 -1.34 -1.06 2.07 -1.10 -3.48 116.25 112.79 2da3 h VAL 54 Ca -0.07 -2.51 -0.04 0.00 0.82 0.00 0.00 66.70 64.89 2da3 h VAL 54 Cb 1.52 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 33.77 2da3 h VAL 54 CO 0.16 0.64 -0.07 0.61 0.02 0.00 0.00 177.57 178.93 2da3 n GLY 55 N 1.05 0.72 3.24 2.17 0.00 -0.67 -4.94 105.19 106.77 2da3 n GLY 55 Ca 0.01 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.52 2.19 -0.50 0.99 2.96 -0.82 -5.05 118.68 116.93 2da3 s LEU 56 Ca 0.05 -0.54 -0.46 0.00 -0.22 0.00 0.00 54.13 52.96 2da3 s LEU 56 Cb -0.02 -0.92 -0.20 0.00 0.50 0.00 0.00 46.19 45.55 2da3 s LEU 56 CO 0.07 0.13 1.76 0.29 -1.32 0.00 0.00 176.35 177.28 2da3 n LYS 57 N 1.73 0.00 -0.31 1.98 4.76 -1.26 -4.67 118.16 120.39 2da3 n LYS 57 Ca -0.18 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.39 2da3 n LYS 57 Cb 0.53 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.48 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 6.20 0.06 0.43 1.97 3.11 -1.91 0.46 116.57 126.89 2da3 h LYS 58 Ca -0.34 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.49 2da3 h LYS 58 Cb 1.38 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.58 2da3 h LYS 58 CO 1.01 0.04 -0.40 -0.09 -2.81 0.00 0.00 179.45 177.20 2da3 h ARG 59 N 0.06 -0.81 -0.98 1.90 9.65 -1.94 0.37 114.38 122.64 2da3 h ARG 59 Ca 0.55 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.67 2da3 h ARG 59 Cb 1.09 0.18 -0.09 0.00 -1.39 0.00 0.00 29.97 29.76 2da3 h ARG 59 CO -0.82 -0.54 0.61 0.28 2.80 0.00 0.00 179.97 182.31 2da3 h VAL 60 N -0.84 0.71 -0.08 0.20 2.07 -1.32 0.21 116.25 117.21 2da3 h VAL 60 Ca -0.04 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.07 2da3 h VAL 60 Cb 0.74 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2da3 h VAL 60 CO -0.05 0.12 -0.73 0.58 0.02 0.00 0.00 177.57 177.52 2da3 h VAL 61 N 0.68 1.38 -0.19 2.57 2.07 -0.55 0.29 116.25 122.50 2da3 h VAL 61 Ca 0.55 -2.14 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 2da3 h VAL 61 Cb 0.96 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2da3 h VAL 61 CO -0.31 0.64 -0.18 -0.61 0.02 0.00 0.00 177.57 177.12 2da3 h GLN 62 N 0.27 0.46 -0.09 1.57 4.15 0.22 -3.18 115.11 118.51 2da3 h GLN 62 Ca -0.03 -0.24 -0.13 0.00 0.77 0.00 0.00 58.65 59.02 2da3 h GLN 62 Cb 1.30 0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.00 2da3 h GLN 62 CO 0.12 0.81 -0.46 0.28 -1.93 0.00 0.00 178.83 177.66 2da3 h VAL 63 N 0.13 1.38 -1.04 2.39 2.07 -0.76 -3.22 116.25 117.21 2da3 h VAL 63 Ca 0.03 -1.81 0.34 0.00 0.82 0.00 0.00 66.70 66.08 2da3 h VAL 63 Cb 0.72 2.24 -0.15 0.00 -1.52 0.00 0.00 31.29 32.59 2da3 h VAL 63 CO 0.05 0.54 0.60 -0.25 0.02 0.00 0.00 177.57 178.53 2da3 h TRP 64 N 0.04 0.87 -0.45 1.57 7.01 -1.00 0.55 115.95 124.55 2da3 h TRP 64 Ca -0.03 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 2da3 h TRP 64 Cb 1.11 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 2da3 h TRP 64 CO 0.12 -0.18 0.02 0.74 -2.79 0.00 0.00 178.44 176.35 2da3 h PHE 65 N 0.28 0.84 -0.46 2.65 -1.00 -1.56 -2.66 116.94 115.04 2da3 h PHE 65 Ca 0.74 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 61.39 2da3 h PHE 65 Cb 1.79 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 41.11 2da3 h PHE 65 CO -0.01 0.81 0.30 1.96 -1.61 0.00 0.00 178.31 179.76 2da3 h GLN 66 N 0.63 0.60 -0.77 1.51 4.20 0.01 -1.52 115.11 119.77 2da3 h GLN 66 Ca 0.13 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.85 2da3 h GLN 66 Cb 0.46 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 2da3 h GLN 66 CO 0.02 0.39 0.47 -0.91 -0.67 0.00 0.00 178.83 178.14 2da3 h ASN 67 N 0.61 0.76 0.27 1.46 2.35 -1.19 -0.39 115.58 119.46 2da3 h ASN 67 Ca 0.17 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2da3 h ASN 67 Cb -0.06 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.16 2da3 h ASN 67 CO -0.04 0.51 -0.13 0.74 -1.65 0.00 0.00 177.43 176.86 2da3 h THR 68 N 0.90 0.77 -0.22 2.81 2.02 -1.09 0.13 112.91 118.22 2da3 h THR 68 Ca 0.32 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 67.25 2da3 h THR 68 Cb 0.09 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2da3 h THR 68 CO -0.14 0.06 -0.06 0.03 0.37 0.00 0.00 175.52 175.78 2da3 h ARG 69 N -0.52 -0.01 -0.47 6.66 3.08 -1.05 0.16 114.38 122.23 2da3 h ARG 69 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2da3 h ARG 69 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2da3 h ARG 69 CO 0.06 -0.01 0.25 0.00 -1.07 0.00 0.00 179.97 179.21 2da3 h ALA 70 N 1.21 0.60 0.01 0.04 0.00 -1.04 -3.00 119.26 117.08 2da3 h ALA 70 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2da3 h ALA 70 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2da3 h ALA 70 CO -0.23 0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.14 2da3 h ARG 71 N 0.61 -0.01 -1.09 0.00 3.08 -0.25 -2.37 114.38 114.35 2da3 h ARG 71 Ca 0.16 0.00 0.32 0.00 0.07 0.00 0.00 59.98 60.54 2da3 h ARG 71 Cb 0.05 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.98 2da3 h ARG 71 CO -0.03 0.01 0.68 0.93 -1.07 0.00 0.00 179.97 180.49 2da3 h GLU 72 N -0.02 0.31 -0.30 0.04 4.39 -0.56 0.38 114.58 118.81 2da3 h GLU 72 Ca -0.00 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 2da3 h GLU 72 Cb 0.02 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2da3 h GLU 72 CO 0.00 0.20 -0.22 0.00 -1.16 0.00 0.00 179.01 177.84 2da3 h ARG 73 N 0.32 0.68 -0.65 2.33 3.08 -1.32 -3.16 114.38 115.66 2da3 h ARG 73 Ca 0.70 -0.33 0.09 0.00 0.07 0.00 0.00 59.98 60.51 2da3 h ARG 73 Cb 1.79 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.77 2da3 h ARG 73 CO -0.44 0.93 0.29 -0.22 -1.07 0.00 0.00 179.97 179.46 2da3 h LYS 74 N 0.44 0.49 -3.37 0.04 3.11 0.01 -3.41 116.57 113.89 2da3 h LYS 74 Ca 0.06 -0.03 -0.32 0.00 -2.81 0.00 0.00 60.65 57.55 2da3 h LYS 74 Cb 0.77 -0.11 -0.36 0.00 -1.00 0.00 0.00 32.23 31.53 2da3 h LYS 74 CO 0.06 0.32 -0.71 0.45 -2.81 0.00 0.00 179.45 176.76 2da3 s SER 75 N -5.44 0.54 0.36 4.20 0.15 -0.86 -5.13 113.70 107.52 2da3 s SER 75 Ca -0.13 0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 2da3 s SER 75 Cb 0.17 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2da3 s SER 75 CO 0.75 -0.19 0.51 -0.83 1.20 0.00 0.00 173.24 174.69 2da3 s GLY 76 N 1.64 1.48 -0.18 9.45 0.00 -1.24 -4.51 107.32 113.96 2da3 s GLY 76 Ca -0.02 -1.50 -0.29 0.00 0.00 0.00 0.00 44.72 42.90 2da3 s GLY 76 CO -0.04 -0.96 1.58 2.56 0.00 0.00 0.00 173.10 176.25 2da3 s PRO 77 N -2.86 3.93 0.27 2.90 0.04 -1.26 -4.98 135.00 133.03 2da3 s PRO 77 Ca 0.30 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2da3 s PRO 77 Cb -0.01 -3.99 -0.09 0.00 0.04 0.00 0.00 34.50 30.44 2da3 s PRO 77 CO 0.21 -1.13 1.20 -1.12 0.04 0.00 0.00 177.00 176.20 2da3 s SER 78 N 3.78 7.04 0.25 6.66 0.01 -1.26 -5.04 113.70 125.15 2da3 s SER 78 Ca 0.70 2.41 0.07 0.00 1.31 0.00 0.00 55.95 60.44 2da3 s SER 78 Cb -0.26 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.29 2da3 s SER 78 CO 0.28 -0.34 -0.10 -0.44 0.41 0.00 0.00 173.24 173.04 2da3 s SER 79 N -0.46 2.75 0.00 2.44 0.01 -1.26 -5.35 113.70 111.83 2da3 s SER 79 Ca 0.49 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2da3 s SER 79 Cb -0.35 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2da3 s SER 79 CO 0.44 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.44