#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 -1.49 -4.88 1.61 3.41 -1.26 -4.90 113.62 106.11 2da3 n SER 2 Ca 0.00 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.06 2da3 n SER 2 Cb 0.00 -1.81 -0.05 0.00 -0.26 0.00 0.00 64.21 62.09 2da3 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2da3 s SER 3 N -3.50 6.53 0.00 4.04 1.04 -1.26 -4.79 113.70 115.76 2da3 s SER 3 Ca 0.65 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2da3 s SER 3 Cb -0.37 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2da3 s SER 3 CO 1.01 0.21 0.00 0.61 0.98 0.00 0.00 173.24 176.05 2da3 n GLY 4 N 0.94 0.92 3.12 7.32 0.00 -1.26 -5.10 105.19 111.14 2da3 n GLY 4 Ca -0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.00 0.39 0.28 1.61 1.04 -1.26 -5.13 113.70 106.63 2da3 s SER 5 Ca 0.00 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.46 2da3 s SER 5 Cb 0.00 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 66.31 2da3 s SER 5 CO 0.00 -0.65 0.06 -0.44 0.98 0.00 0.00 173.24 173.19 2da3 s SER 6 N -2.94 1.78 0.00 7.02 0.01 -1.26 -5.07 113.70 113.24 2da3 s SER 6 Ca 0.11 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2da3 s SER 6 Cb 0.07 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2da3 s SER 6 CO -0.07 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2da3 n GLY 7 N -0.55 0.26 0.22 3.44 0.00 -1.26 -4.93 105.19 102.36 2da3 n GLY 7 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.87 -0.02 0.00 -1.26 -5.04 105.19 102.74 2da3 n GLY 8 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2da3 n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2da3 n THR 9 N -2.40 -3.00 -1.56 2.61 -1.04 -1.26 -4.86 114.28 102.77 2da3 n THR 9 Ca 0.00 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 2da3 n THR 9 Cb 0.40 -3.04 -0.04 0.00 -1.82 0.00 0.00 70.33 65.83 2da3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2da3 n GLY 10 N -1.68 4.56 0.00 3.41 0.00 -1.26 -4.89 105.19 105.33 2da3 n GLY 10 Ca -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 0.62 2.43 3.68 -0.02 0.00 -1.26 -5.12 105.19 105.52 2da3 n GLY 11 Ca 0.50 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 4.38 -0.02 1.61 2.56 -1.26 -5.02 118.70 118.95 2da3 s GLU 12 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 54.97 55.98 2da3 s GLU 12 Cb 0.00 -3.56 0.07 0.00 2.00 0.00 0.00 34.13 32.65 2da3 s GLU 12 CO 0.00 -0.35 0.69 -1.83 -0.56 0.00 0.00 175.26 173.21 2da3 s GLU 13 N 2.17 1.06 -0.03 4.30 4.04 -1.26 -5.14 118.70 123.84 2da3 s GLU 13 Ca 0.46 0.12 -0.30 0.00 0.04 0.00 0.00 54.97 55.28 2da3 s GLU 13 Cb -0.17 0.50 -0.05 0.00 0.02 0.00 0.00 34.13 34.42 2da3 s GLU 13 CO 0.15 -0.36 1.47 -1.25 -1.84 0.00 0.00 175.26 173.43 2da3 s PRO 14 N -1.66 4.24 0.59 -4.83 0.04 -1.26 -5.02 135.00 127.10 2da3 s PRO 14 Ca -0.08 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 2da3 s PRO 14 Cb -0.00 -3.69 0.04 0.00 0.04 0.00 0.00 34.50 30.88 2da3 s PRO 14 CO 0.05 -0.67 0.84 1.14 0.04 0.00 0.00 177.00 178.40 2da3 s GLN 15 N 2.94 2.44 1.03 4.56 -2.07 -1.26 -5.06 119.66 122.24 2da3 s GLN 15 Ca 0.66 -0.64 -0.22 0.00 -1.82 0.00 0.00 55.36 53.33 2da3 s GLN 15 Cb -0.31 -2.40 -0.04 0.00 -1.09 0.00 0.00 33.01 29.16 2da3 s GLN 15 CO 0.26 -0.86 -0.76 2.89 -1.32 0.00 0.00 175.29 175.50 2da3 n ARG 16 N -2.51 -0.81 -3.39 9.60 1.85 -1.26 -5.03 116.66 115.12 2da3 n ARG 16 Ca 0.08 -0.23 0.02 0.00 -1.00 0.00 0.00 57.85 56.72 2da3 n ARG 16 Cb 0.60 -1.31 -0.03 0.00 -1.05 0.00 0.00 32.46 30.67 2da3 n ARG 16 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2da3 s ASP 17 N -1.40 -1.20 -0.63 2.89 1.01 -1.26 -5.04 116.67 111.04 2da3 s ASP 17 Ca 0.43 1.17 -0.02 0.00 0.71 0.00 0.00 52.55 54.84 2da3 s ASP 17 Cb 0.00 2.18 0.42 0.00 1.01 0.00 0.00 42.92 46.53 2da3 s ASP 17 CO 0.61 -0.23 2.04 2.29 0.21 0.00 0.00 175.17 180.10 2da3 n LYS 18 N 5.42 2.59 -0.02 8.23 2.85 -1.26 -4.30 118.16 131.66 2da3 n LYS 18 Ca -0.07 -3.09 0.05 0.00 -1.05 0.00 0.00 58.31 54.16 2da3 n LYS 18 Cb 0.50 -2.21 -0.15 0.00 -0.65 0.00 0.00 35.03 32.52 2da3 n LYS 18 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2da3 n ARG 19 N -0.75 0.66 -1.56 -1.58 -4.01 -1.26 -4.94 116.66 103.22 2da3 n ARG 19 Ca 0.59 -0.11 -0.53 0.00 -1.04 0.00 0.00 57.85 56.76 2da3 n ARG 19 Cb 0.64 -1.56 -0.07 0.00 -3.04 0.00 0.00 32.46 28.43 2da3 n ARG 19 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2da3 n LEU 20 N -2.45 2.34 -4.97 2.89 4.77 -1.26 -4.94 117.00 113.38 2da3 n LEU 20 Ca -0.11 0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 56.40 2da3 n LEU 20 Cb 0.73 -1.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 2da3 n LEU 20 CO 0.45 -0.53 0.17 -0.13 -1.33 0.00 0.00 177.39 176.02 2da3 s ARG 21 N 4.99 2.50 -0.08 3.23 0.52 -1.26 -4.75 118.95 124.10 2da3 s ARG 21 Ca 1.04 -1.56 -0.08 0.00 -0.52 0.00 0.00 55.73 54.60 2da3 s ARG 21 Cb -0.94 -2.54 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 2da3 s ARG 21 CO 0.56 -0.51 0.33 1.15 0.02 0.00 0.00 175.30 176.85 2da3 h THR 22 N 0.58 0.16 -1.97 0.02 2.02 -1.99 -3.35 112.91 108.39 2da3 h THR 22 Ca -0.36 -0.94 -0.22 0.00 0.77 0.00 0.00 66.41 65.66 2da3 h THR 22 Cb 1.28 0.30 0.12 0.00 -1.74 0.00 0.00 68.15 68.11 2da3 h THR 22 CO 0.48 0.05 -0.25 0.35 0.37 0.00 0.00 175.52 176.52 2da3 n THR 23 N -4.91 0.00 -4.20 3.16 -2.24 -1.26 -4.93 114.28 99.90 2da3 n THR 23 Ca -0.03 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2da3 n THR 23 Cb 0.12 -0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.07 1.09 0.17 2.28 1.01 -1.26 -4.97 121.20 117.44 2da3 s ILE 24 Ca 0.36 -1.69 0.06 0.00 0.00 0.00 0.00 60.65 59.38 2da3 s ILE 24 Cb -0.06 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2da3 s ILE 24 CO 0.33 -0.52 0.11 0.42 0.00 0.00 0.00 174.94 175.28 2da3 s THR 25 N -2.38 4.31 -0.48 2.92 -4.23 -1.26 -5.01 115.64 109.51 2da3 s THR 25 Ca 0.07 -1.19 0.23 0.00 -1.18 0.00 0.00 61.69 59.63 2da3 s THR 25 Cb -0.03 -3.20 0.25 0.00 1.34 0.00 0.00 72.50 70.85 2da3 s THR 25 CO 0.01 -0.13 1.71 -0.81 -0.54 0.00 0.00 174.62 174.86 2da3 n PRO 26 N -0.36 0.19 0.03 3.99 -0.04 -1.26 -1.92 135.00 135.63 2da3 n PRO 26 Ca -0.09 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 2da3 n PRO 26 Cb 0.55 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.24 0.64 0.05 0.54 -0.58 -1.26 -4.25 120.64 113.54 2da3 n GLU 27 Ca 0.02 -0.03 -0.20 0.00 -0.42 0.00 0.00 57.16 56.53 2da3 n GLU 27 Cb 0.23 -1.65 -0.14 0.00 -0.57 0.00 0.00 31.44 29.30 2da3 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2da3 h GLN 28 N 0.00 0.30 -0.11 3.49 4.20 -1.83 -3.38 115.11 117.78 2da3 h GLN 28 Ca -0.06 -0.51 0.04 0.00 0.06 0.00 0.00 58.65 58.19 2da3 h GLN 28 Cb 1.15 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 29.06 2da3 h GLN 28 CO 0.01 1.18 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.94 2da3 h LEU 29 N 0.08 -1.04 -0.72 1.46 3.38 -1.57 -2.19 115.31 114.72 2da3 h LEU 29 Ca -0.33 0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2da3 h LEU 29 Cb 2.06 0.43 -0.12 0.00 0.09 0.00 0.00 40.66 43.12 2da3 h LEU 29 CO 0.15 -0.38 -0.25 -0.62 0.09 0.00 0.00 178.44 177.43 2da3 n GLU 30 N -5.42 -0.14 -0.24 1.13 1.02 -1.26 0.21 120.64 115.95 2da3 n GLU 30 Ca -0.04 1.10 -0.04 0.00 -0.02 0.00 0.00 57.16 58.17 2da3 n GLU 30 Cb 0.33 -1.64 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.09 -0.32 -3.67 2.04 -1.61 -0.00 117.51 115.04 2da3 h ILE 31 Ca 0.27 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2da3 h ILE 31 Cb 0.45 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2da3 h ILE 31 CO -0.72 0.15 0.11 -0.07 0.00 0.00 0.00 178.15 177.62 2da3 h LEU 32 N 0.83 0.47 -0.43 1.44 3.38 0.27 -1.11 115.31 120.15 2da3 h LEU 32 Ca 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2da3 h LEU 32 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2da3 h LEU 32 CO -0.10 0.54 0.24 1.88 0.09 0.00 0.00 178.44 181.08 2da3 h TYR 33 N 0.37 0.58 -0.78 1.13 0.05 -0.14 0.17 116.97 118.35 2da3 h TYR 33 Ca 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2da3 h TYR 33 Cb 0.23 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 2da3 h TYR 33 CO 0.00 0.43 0.40 1.96 -1.05 0.00 0.00 178.16 179.91 2da3 h GLN 34 N 0.56 1.11 -0.02 4.88 1.08 -0.89 0.21 115.11 122.06 2da3 h GLN 34 Ca 0.15 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2da3 h GLN 34 Cb 0.04 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 2da3 h GLN 34 CO -0.03 0.85 -0.60 0.87 -0.95 0.00 0.00 178.83 178.97 2da3 h LYS 35 N 1.10 0.06 -0.00 1.46 1.79 -0.88 -3.13 116.57 116.96 2da3 h LYS 35 Ca 0.27 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2da3 h LYS 35 Cb 0.08 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2da3 h LYS 35 CO -0.04 0.64 -0.00 -0.92 -1.08 0.00 0.00 179.45 178.05 2da3 h TYR 36 N 0.04 0.00 -0.99 -1.35 3.20 -0.14 0.26 116.97 118.00 2da3 h TYR 36 Ca -0.01 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.08 2da3 h TYR 36 Cb 1.08 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.26 2da3 h TYR 36 CO 0.01 0.63 0.63 -0.07 -1.64 0.00 0.00 178.16 177.71 2da3 h LEU 37 N -0.62 0.56 0.03 2.82 3.38 -1.01 -0.14 115.31 120.34 2da3 h LEU 37 Ca -0.00 0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.76 2da3 h LEU 37 Cb 0.63 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2da3 h LEU 37 CO 0.00 0.17 -1.61 0.17 0.09 0.00 0.00 178.44 177.26 2da3 h LEU 38 N 0.53 0.10 -7.08 1.67 8.10 -1.55 -3.44 115.31 113.65 2da3 h LEU 38 Ca 0.56 -0.19 -0.55 0.00 0.11 0.00 0.00 57.88 57.81 2da3 h LEU 38 Cb 1.20 -0.03 -0.40 0.00 -0.44 0.00 0.00 40.66 40.98 2da3 h LEU 38 CO -0.30 1.17 -0.76 -0.62 -4.11 0.00 0.00 178.44 173.82 2da3 s ASP 39 N -6.42 3.61 0.00 0.17 -1.08 0.90 -4.95 116.67 108.90 2da3 s ASP 39 Ca -0.07 -1.34 0.18 0.00 -0.52 0.00 0.00 52.55 50.81 2da3 s ASP 39 Cb 0.08 -0.65 -0.08 0.00 -1.46 0.00 0.00 42.92 40.82 2da3 s ASP 39 CO 0.82 -0.40 0.88 -1.20 0.52 0.00 0.00 175.17 175.79 2da3 n SER 40 N 5.02 1.44 -2.53 -0.34 7.64 -0.97 -3.90 113.62 119.97 2da3 n SER 40 Ca -0.05 -1.22 -0.14 0.00 1.01 0.00 0.00 58.87 58.47 2da3 n SER 40 Cb 0.43 0.67 0.03 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 -0.57 2.99 -4.71 6.43 3.02 -1.26 -4.97 115.26 116.19 2da3 n ASN 41 Ca 0.06 -2.99 -0.30 0.00 -0.03 0.00 0.00 54.58 51.33 2da3 n ASN 41 Cb 0.35 -0.46 0.14 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.19 0.29 3.52 0.04 -1.26 -5.07 135.00 130.20 2da3 s PRO 42 Ca 0.37 0.79 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2da3 s PRO 42 Cb 0.40 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 33.10 2da3 s PRO 42 CO -0.03 -2.28 0.13 -0.08 0.04 0.00 0.00 177.00 174.77 2da3 s THR 43 N -2.94 3.65 0.31 1.26 -1.32 -1.26 -4.90 115.64 110.44 2da3 s THR 43 Ca 0.64 -1.65 0.15 0.00 -1.21 0.00 0.00 61.69 59.62 2da3 s THR 43 Cb -0.18 -3.08 0.31 0.00 -1.51 0.00 0.00 72.50 68.04 2da3 s THR 43 CO 0.57 -0.30 1.36 0.54 -2.21 0.00 0.00 174.62 174.58 2da3 n ARG 44 N -1.10 -0.05 -0.20 7.08 3.00 -1.26 0.17 116.66 124.29 2da3 n ARG 44 Ca -0.05 1.21 0.00 0.00 -0.01 0.00 0.00 57.85 59.00 2da3 n ARG 44 Cb 0.59 -2.12 0.11 0.00 0.00 0.00 0.00 32.46 31.04 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 0.40 0.11 5.56 1.63 -1.99 0.15 116.57 122.44 2da3 h LYS 45 Ca 0.70 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.47 2da3 h LYS 45 Cb 1.79 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.33 2da3 h LYS 45 CO -0.69 0.27 -0.05 0.52 -3.45 0.00 0.00 179.45 176.04 2da3 h MET 46 N 0.41 -0.14 -0.53 1.90 2.86 0.14 -2.68 114.93 116.88 2da3 h MET 46 Ca 0.31 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.11 2da3 h MET 46 Cb 0.38 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2da3 h MET 46 CO -0.31 0.35 0.50 -0.07 1.06 0.00 0.00 176.91 178.45 2da3 h LEU 47 N -0.82 0.00 0.06 1.22 3.38 -1.06 0.14 115.31 118.23 2da3 h LEU 47 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2da3 h LEU 47 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2da3 h LEU 47 CO 0.03 0.00 -0.59 -0.78 0.09 0.00 0.00 178.44 177.19 2da3 h ASP 48 N 0.00 0.42 0.41 -0.43 3.58 -0.68 -2.99 116.42 116.74 2da3 h ASP 48 Ca 0.25 -0.86 -0.02 0.00 0.42 0.00 0.00 57.03 56.83 2da3 h ASP 48 Cb 1.25 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2da3 h ASP 48 CO -0.00 1.23 -0.20 -0.74 -2.88 0.00 0.00 179.24 176.65 2da3 h HIS 49 N -0.33 -0.52 -0.80 0.28 2.76 -0.65 -2.44 115.15 113.46 2da3 h HIS 49 Ca -0.09 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.25 2da3 h HIS 49 Cb 1.37 0.17 -0.12 0.00 1.55 0.00 0.00 27.41 30.39 2da3 h HIS 49 CO 0.18 -0.19 0.25 0.82 -1.30 0.00 0.00 177.93 177.69 2da3 h ILE 50 N -0.93 0.50 0.00 6.26 2.04 -0.98 0.76 117.51 125.16 2da3 h ILE 50 Ca -0.06 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2da3 h ILE 50 Cb 0.56 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2da3 h ILE 50 CO 0.09 0.06 -0.10 0.00 0.00 0.00 0.00 178.15 178.20 2da3 h ALA 51 N 1.65 1.13 0.12 1.87 0.00 -1.52 -0.00 119.26 122.50 2da3 h ALA 51 Ca 0.47 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 55.01 2da3 h ALA 51 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2da3 h ALA 51 CO -0.52 0.12 -1.28 1.25 0.00 0.00 0.00 179.25 178.82 2da3 h HIS 52 N 0.00 0.47 0.09 0.00 -0.00 0.97 -1.80 115.15 114.88 2da3 h HIS 52 Ca -0.00 -0.34 -0.26 0.00 -0.00 0.00 0.00 60.37 59.77 2da3 h HIS 52 Cb 0.41 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2da3 h HIS 52 CO 0.00 1.28 -1.23 1.05 -0.00 0.00 0.00 177.93 179.03 2da3 h GLU 53 N 0.07 0.19 0.00 5.26 4.11 -0.70 -3.28 114.58 120.23 2da3 h GLU 53 Ca -0.15 -0.32 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 2da3 h GLU 53 Cb 1.97 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 2da3 h GLU 53 CO 0.19 1.13 -0.50 0.28 0.07 0.00 0.00 179.01 180.18 2da3 h VAL 54 N 0.05 0.81 -1.30 -1.06 2.07 -1.11 -3.48 116.25 112.24 2da3 h VAL 54 Ca -0.12 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.20 2da3 h VAL 54 Cb 1.93 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 34.10 2da3 h VAL 54 CO 0.18 0.46 -0.08 0.61 0.02 0.00 0.00 177.57 178.76 2da3 n GLY 55 N 1.22 0.67 3.18 2.17 0.00 -0.75 -4.95 105.19 106.74 2da3 n GLY 55 Ca 0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.51 2.07 -0.28 0.99 2.96 -0.79 -4.68 118.68 117.44 2da3 s LEU 56 Ca 0.05 -0.37 -0.42 0.00 -0.22 0.00 0.00 54.13 53.18 2da3 s LEU 56 Cb -0.02 -0.88 -0.19 0.00 0.50 0.00 0.00 46.19 45.60 2da3 s LEU 56 CO 0.07 0.19 1.31 0.29 -1.32 0.00 0.00 176.35 176.88 2da3 n LYS 57 N 2.43 0.00 -0.27 1.98 5.02 -1.26 -4.64 118.16 121.42 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 0.54 -1.42 0.21 0.00 -0.02 0.00 0.00 35.03 34.34 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 3.96 0.17 0.42 1.97 3.11 -1.89 -0.12 116.57 124.19 2da3 h LYS 58 Ca -0.45 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.38 2da3 h LYS 58 Cb 1.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.50 2da3 h LYS 58 CO 0.80 0.11 -0.35 -0.09 -2.81 0.00 0.00 179.45 177.11 2da3 h ARG 59 N 0.18 -0.75 -0.94 1.90 9.65 -1.93 0.47 114.38 122.95 2da3 h ARG 59 Ca 0.47 0.05 0.15 0.00 -1.10 0.00 0.00 59.98 59.55 2da3 h ARG 59 Cb 0.87 0.17 -0.08 0.00 -1.39 0.00 0.00 29.97 29.54 2da3 h ARG 59 CO -0.63 -0.50 0.60 0.28 2.80 0.00 0.00 179.97 182.52 2da3 h VAL 60 N -0.77 0.82 -0.08 0.20 2.07 -1.56 0.12 116.25 117.04 2da3 h VAL 60 Ca -0.04 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 2da3 h VAL 60 Cb 0.67 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2da3 h VAL 60 CO -0.02 0.14 -0.76 0.58 0.02 0.00 0.00 177.57 177.53 2da3 h VAL 61 N 0.76 1.37 -0.06 2.57 2.07 -0.52 -0.66 116.25 121.78 2da3 h VAL 61 Ca 0.49 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 2da3 h VAL 61 Cb 0.73 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2da3 h VAL 61 CO -0.25 0.65 -0.02 -0.61 0.02 0.00 0.00 177.57 177.36 2da3 h GLN 62 N 0.31 0.12 -0.16 1.57 4.15 0.17 -3.22 115.11 118.04 2da3 h GLN 62 Ca -0.04 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2da3 h GLN 62 Cb 1.34 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.03 2da3 h GLN 62 CO 0.13 0.48 -0.11 0.28 -1.93 0.00 0.00 178.83 177.68 2da3 h VAL 63 N -0.24 1.33 -1.34 2.39 2.07 -0.92 -2.98 116.25 116.55 2da3 h VAL 63 Ca 0.01 -1.21 0.39 0.00 0.82 0.00 0.00 66.70 66.71 2da3 h VAL 63 Cb 0.44 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 2da3 h VAL 63 CO 0.01 0.36 1.13 -0.25 0.02 0.00 0.00 177.57 178.83 2da3 h TRP 64 N 0.01 0.00 0.02 1.57 7.01 -1.17 0.54 115.95 123.94 2da3 h TRP 64 Ca 0.03 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2da3 h TRP 64 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 2da3 h TRP 64 CO 0.07 0.00 -0.15 0.74 -2.79 0.00 0.00 178.44 176.31 2da3 h PHE 65 N 0.00 0.11 -0.11 2.65 -1.00 -1.53 -2.72 116.94 114.33 2da3 h PHE 65 Ca 0.64 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 61.29 2da3 h PHE 65 Cb 2.89 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 42.43 2da3 h PHE 65 CO 0.00 1.02 -0.16 -0.56 -1.61 0.00 0.00 178.31 177.01 2da3 h GLN 66 N -0.84 0.18 -0.10 1.51 3.07 -0.10 -2.50 115.11 116.33 2da3 h GLN 66 Ca -0.02 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.60 2da3 h GLN 66 Cb 1.08 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.62 2da3 h GLN 66 CO 0.03 0.34 -0.21 -0.91 0.09 0.00 0.00 178.83 178.17 2da3 h ASN 67 N 0.17 0.36 -0.96 0.06 2.35 -0.69 -3.06 115.58 113.80 2da3 h ASN 67 Ca 0.03 -0.56 0.05 0.00 -0.55 0.00 0.00 56.30 55.28 2da3 h ASN 67 Cb 0.38 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 2da3 h ASN 67 CO 0.02 0.85 0.62 0.74 -1.65 0.00 0.00 177.43 178.02 2da3 h THR 68 N -0.12 1.11 -0.16 2.81 2.02 -1.28 -2.15 112.91 115.14 2da3 h THR 68 Ca 0.00 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2da3 h THR 68 Cb 0.79 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2da3 h THR 68 CO 0.05 0.21 0.03 0.03 0.37 0.00 0.00 175.52 176.21 2da3 h ARG 69 N 1.16 0.09 0.04 6.66 3.08 -1.46 0.99 114.38 124.94 2da3 h ARG 69 Ca 0.40 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.46 2da3 h ARG 69 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2da3 h ARG 69 CO -0.15 0.06 -0.12 0.00 -1.07 0.00 0.00 179.97 178.69 2da3 h ALA 70 N 1.12 -0.17 0.00 0.04 0.00 -1.34 -2.03 119.26 116.88 2da3 h ALA 70 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2da3 h ALA 70 Cb 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2da3 h ALA 70 CO -0.10 -0.62 -0.36 0.07 0.00 0.00 0.00 179.25 178.24 2da3 h ARG 71 N -0.22 0.00 -0.18 0.00 0.11 -1.20 -2.82 114.38 110.06 2da3 h ARG 71 Ca 0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.06 2da3 h ARG 71 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2da3 h ARG 71 CO -0.09 0.36 -0.11 0.93 0.10 0.00 0.00 179.97 181.17 2da3 h GLU 72 N 0.00 0.28 -0.17 0.08 4.39 0.17 -2.82 114.58 116.52 2da3 h GLU 72 Ca -0.00 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2da3 h GLU 72 Cb 0.77 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2da3 h GLU 72 CO 0.05 0.40 -0.50 0.00 -1.16 0.00 0.00 179.01 177.80 2da3 h ARG 73 N 0.27 0.63 -6.00 2.33 3.08 -1.13 -3.45 114.38 110.11 2da3 h ARG 73 Ca 0.06 -0.46 -0.76 0.00 0.07 0.00 0.00 59.98 58.90 2da3 h ARG 73 Cb 0.36 0.08 0.07 0.00 0.08 0.00 0.00 29.97 30.56 2da3 h ARG 73 CO 0.02 1.08 -0.10 1.17 -1.07 0.00 0.00 179.97 181.06 2da3 n LYS 74 N -4.18 0.01 -3.46 0.04 4.81 -1.07 -4.90 118.16 109.42 2da3 n LYS 74 Ca -0.07 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.99 2da3 n LYS 74 Cb 0.59 -1.36 -0.09 0.00 0.02 0.00 0.00 35.03 34.19 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2da3 s SER 75 N -0.28 6.25 1.06 3.14 0.01 -1.26 -5.05 113.70 117.57 2da3 s SER 75 Ca 0.83 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 58.23 2da3 s SER 75 Cb -1.17 -2.19 0.22 0.00 0.21 0.00 0.00 66.02 63.09 2da3 s SER 75 CO 0.57 -0.10 1.12 -0.83 0.41 0.00 0.00 173.24 174.41 2da3 s GLY 76 N 1.39 1.59 0.00 3.44 0.00 -1.26 -4.89 107.32 107.58 2da3 s GLY 76 Ca 0.14 -0.67 0.15 0.00 0.00 0.00 0.00 44.72 44.35 2da3 s GLY 76 CO 0.09 0.05 1.33 -1.55 0.00 0.00 0.00 173.10 173.01 2da3 n PRO 77 N -4.29 0.49 -3.98 2.90 -0.04 -1.26 -4.74 135.00 124.08 2da3 n PRO 77 Ca 0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2da3 n PRO 77 Cb 0.59 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.99 6.22 -0.60 3.54 1.04 -1.26 -5.08 113.70 115.57 2da3 s SER 78 Ca 0.23 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.75 2da3 s SER 78 Cb 0.11 -1.81 0.15 0.00 0.10 0.00 0.00 66.02 64.56 2da3 s SER 78 CO 0.18 -0.04 0.36 -0.44 0.98 0.00 0.00 173.24 174.28 2da3 s SER 79 N -3.77 4.56 0.00 7.02 0.01 -1.26 -5.11 113.70 115.15 2da3 s SER 79 Ca 0.34 -3.32 0.00 0.00 1.31 0.00 0.00 55.95 54.28 2da3 s SER 79 Cb -0.09 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2da3 s SER 79 CO 0.28 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.36