#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 5.90 -0.23 1.61 0.01 -1.26 -5.02 113.70 114.70 2da3 s SER 2 Ca 0.00 -1.76 -0.12 0.00 1.31 0.00 0.00 55.95 55.38 2da3 s SER 2 Cb 0.00 -2.09 0.08 0.00 0.21 0.00 0.00 66.02 64.22 2da3 s SER 2 CO 0.00 -0.72 0.55 -0.94 0.41 0.00 0.00 173.24 172.54 2da3 s SER 3 N 2.90 -0.73 0.00 2.44 1.04 -1.26 -5.09 113.70 113.00 2da3 s SER 3 Ca 0.04 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2da3 s SER 3 Cb -0.27 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.17 2da3 s SER 3 CO 0.02 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2da3 n GLY 4 N 4.63 -2.38 3.49 7.32 0.00 -1.26 -4.95 105.19 112.04 2da3 n GLY 4 Ca -0.18 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -0.13 -4.14 1.61 7.64 -1.26 -4.96 113.62 112.38 2da3 n SER 5 Ca 0.00 1.08 -0.33 0.00 1.01 0.00 0.00 58.87 60.63 2da3 n SER 5 Cb 0.00 -1.13 -0.16 0.00 -1.01 0.00 0.00 64.21 61.91 2da3 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2da3 s SER 6 N -0.81 3.34 0.08 6.43 1.04 -1.26 -5.11 113.70 117.42 2da3 s SER 6 Ca 0.61 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 56.31 2da3 s SER 6 Cb -0.74 -1.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 2da3 s SER 6 CO 0.58 -0.02 0.13 -0.83 0.98 0.00 0.00 173.24 174.08 2da3 s GLY 7 N 1.30 0.27 0.00 7.32 0.00 -1.26 -5.15 107.32 109.80 2da3 s GLY 7 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2da3 s GLY 7 CO -0.11 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 172.61 2da3 n GLY 8 N -0.02 4.17 0.07 0.20 0.00 -1.26 -5.00 105.19 103.35 2da3 n GLY 8 Ca -0.14 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 2da3 n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2da3 h THR 9 N 1.58 1.20 0.00 2.61 2.02 -2.06 -3.50 112.91 114.76 2da3 h THR 9 Ca 0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2da3 h THR 9 Cb 0.00 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2da3 h THR 9 CO 0.00 0.39 0.00 0.61 0.37 0.00 0.00 175.52 176.89 2da3 n GLY 10 N 1.42 -1.59 2.73 2.16 0.00 -1.26 -5.09 105.19 103.56 2da3 n GLY 10 Ca -0.07 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.63 2da3 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2da3 s GLY 11 N 0.00 -1.63 -0.34 -0.02 0.00 -1.26 -5.13 107.32 98.95 2da3 s GLY 11 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.90 2da3 s GLY 11 CO 0.00 4.34 0.08 -0.54 0.00 0.00 0.00 173.10 176.97 2da3 s GLU 12 N 1.80 2.35 0.01 2.90 0.41 -1.26 -4.91 118.70 120.00 2da3 s GLU 12 Ca 0.16 -1.40 -0.14 0.00 -0.41 0.00 0.00 54.97 53.18 2da3 s GLU 12 Cb 0.05 -3.34 0.02 0.00 -1.78 0.00 0.00 34.13 29.08 2da3 s GLU 12 CO -0.14 -0.75 0.31 -1.83 -0.49 0.00 0.00 175.26 172.35 2da3 s GLU 13 N 1.25 0.74 1.06 1.61 -1.05 -1.26 -5.17 118.70 115.88 2da3 s GLU 13 Ca -0.01 -0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 54.32 2da3 s GLU 13 Cb -0.20 0.32 0.22 0.00 -0.44 0.00 0.00 34.13 34.03 2da3 s GLU 13 CO -0.01 -0.22 1.10 -1.25 0.95 0.00 0.00 175.26 175.82 2da3 s PRO 14 N -1.93 -0.10 -0.37 -4.83 0.04 -1.26 -4.93 135.00 121.63 2da3 s PRO 14 Ca -0.09 0.34 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 2da3 s PRO 14 Cb -0.03 -1.69 0.26 0.00 0.04 0.00 0.00 34.50 33.08 2da3 s PRO 14 CO 0.01 -3.05 2.00 0.00 0.04 0.00 0.00 177.00 176.00 2da3 n GLN 15 N -4.36 1.93 0.22 4.56 10.64 -1.26 -4.58 117.38 124.53 2da3 n GLN 15 Ca 0.07 -1.83 -0.15 0.00 -1.83 0.00 0.00 57.00 53.26 2da3 n GLN 15 Cb 0.58 -1.72 -0.08 0.00 -0.86 0.00 0.00 30.24 28.17 2da3 n GLN 15 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2da3 h ARG 16 N 1.52 -0.58 -6.13 2.61 1.12 -2.04 -3.41 114.38 107.47 2da3 h ARG 16 Ca 0.34 0.04 -0.64 0.00 -1.11 0.00 0.00 59.98 58.61 2da3 h ARG 16 Cb 0.94 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 2da3 h ARG 16 CO 0.88 -0.38 1.25 -0.40 -3.11 0.00 0.00 179.97 178.21 2da3 n ASP 17 N -5.38 2.91 -0.08 -3.80 5.68 -1.26 -4.86 116.55 109.76 2da3 n ASP 17 Ca -0.10 0.68 -0.07 0.00 -0.50 0.00 0.00 54.79 54.80 2da3 n ASP 17 Cb 0.28 -1.34 -0.02 0.00 -1.14 0.00 0.00 41.12 38.89 2da3 n ASP 17 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2da3 n LYS 18 N 7.38 0.48 -1.82 0.11 5.02 -1.26 -4.97 118.16 123.10 2da3 n LYS 18 Ca 0.30 0.32 -0.38 0.00 -2.02 0.00 0.00 58.31 56.54 2da3 n LYS 18 Cb 0.28 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.83 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2da3 s ARG 19 N -2.60 3.12 0.26 1.97 3.52 -1.26 -5.03 118.95 118.94 2da3 s ARG 19 Ca -0.23 2.18 -0.04 0.00 -0.13 0.00 0.00 55.73 57.51 2da3 s ARG 19 Cb 0.03 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 2da3 s ARG 19 CO 0.34 -1.19 0.34 -0.51 -0.81 0.00 0.00 175.30 173.47 2da3 s LEU 20 N -3.59 0.93 -0.16 -0.88 1.43 -1.26 -5.12 118.68 110.03 2da3 s LEU 20 Ca 0.72 -1.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2da3 s LEU 20 Cb -0.39 1.09 0.01 0.00 0.03 0.00 0.00 46.19 46.93 2da3 s LEU 20 CO 0.46 -1.07 -0.18 -0.13 0.23 0.00 0.00 176.35 175.66 2da3 s ARG 21 N -3.76 3.09 0.31 1.70 1.81 -1.26 -5.00 118.95 115.83 2da3 s ARG 21 Ca 0.32 -0.80 -0.01 0.00 -1.72 0.00 0.00 55.73 53.52 2da3 s ARG 21 Cb 0.02 -2.58 0.49 0.00 -0.45 0.00 0.00 34.95 32.43 2da3 s ARG 21 CO 0.15 -0.09 1.97 1.79 -0.68 0.00 0.00 175.30 178.44 2da3 h THR 22 N 5.81 1.19 -3.21 0.02 1.35 -2.01 -3.41 112.91 112.65 2da3 h THR 22 Ca -0.38 -0.36 -0.41 0.00 -0.55 0.00 0.00 66.41 64.71 2da3 h THR 22 Cb 1.17 0.04 0.21 0.00 -1.73 0.00 0.00 68.15 67.84 2da3 h THR 22 CO 0.59 0.19 -0.03 0.42 -0.25 0.00 0.00 175.52 176.45 2da3 s THR 23 N -5.88 1.60 0.15 6.82 -4.23 -1.26 -4.92 115.64 107.92 2da3 s THR 23 Ca -0.11 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.48 2da3 s THR 23 Cb 0.18 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 2da3 s THR 23 CO 0.79 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.06 2da3 s ILE 24 N -2.46 1.68 0.17 2.99 1.01 -1.26 -4.95 121.20 118.38 2da3 s ILE 24 Ca 0.69 -1.85 0.06 0.00 0.00 0.00 0.00 60.65 59.55 2da3 s ILE 24 Cb -0.18 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2da3 s ILE 24 CO 0.60 -0.33 0.09 0.42 0.00 0.00 0.00 174.94 175.72 2da3 s THR 25 N -2.03 4.20 -0.77 2.92 -4.23 -1.26 -5.01 115.64 109.46 2da3 s THR 25 Ca 0.13 -1.22 0.18 0.00 -1.18 0.00 0.00 61.69 59.61 2da3 s THR 25 Cb -0.06 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.82 2da3 s THR 25 CO 0.05 -0.12 1.57 -0.81 -0.54 0.00 0.00 174.62 174.77 2da3 n PRO 26 N -0.29 0.09 -0.01 3.99 -0.04 -1.26 -2.01 135.00 135.46 2da3 n PRO 26 Ca -0.09 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.73 2da3 n PRO 26 Cb 0.55 -1.66 -0.13 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 -1.82 0.65 0.08 0.54 1.02 -1.26 -4.32 120.64 115.53 2da3 n GLU 27 Ca 0.03 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 2da3 n GLU 27 Cb 0.19 -1.63 -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 -0.41 3.49 4.20 -1.85 -3.37 115.11 117.59 2da3 h GLN 28 Ca -0.18 -0.70 0.08 0.00 0.06 0.00 0.00 58.65 57.91 2da3 h GLN 28 Cb 1.47 0.26 -0.09 0.00 0.30 0.00 0.00 27.48 29.42 2da3 h GLN 28 CO 0.02 1.33 -0.33 -0.07 -0.67 0.00 0.00 178.83 179.10 2da3 h LEU 29 N 0.11 -1.11 -0.70 1.46 3.38 -1.60 -2.04 115.31 114.81 2da3 h LEU 29 Ca -0.33 0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2da3 h LEU 29 Cb 2.11 0.52 -0.09 0.00 0.09 0.00 0.00 40.66 43.28 2da3 h LEU 29 CO 0.19 -0.32 -0.37 -0.62 0.09 0.00 0.00 178.44 177.40 2da3 n GLU 30 N -5.42 -0.27 -0.24 1.13 -0.58 -1.26 0.18 120.64 114.18 2da3 n GLU 30 Ca 0.01 1.07 0.02 0.00 -0.42 0.00 0.00 57.16 57.83 2da3 n GLU 30 Cb 0.34 -1.57 0.14 0.00 -0.57 0.00 0.00 31.44 29.78 2da3 n GLU 30 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2da3 h ILE 31 N 0.00 0.83 -0.28 -3.67 2.04 -1.58 0.20 117.51 115.05 2da3 h ILE 31 Ca 0.15 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2da3 h ILE 31 Cb 0.33 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2da3 h ILE 31 CO -0.67 0.11 0.12 -0.07 0.00 0.00 0.00 178.15 177.64 2da3 h LEU 32 N 0.58 0.37 -0.23 1.44 3.38 0.20 -1.30 115.31 119.76 2da3 h LEU 32 Ca 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2da3 h LEU 32 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2da3 h LEU 32 CO -0.28 0.41 0.10 1.88 0.09 0.00 0.00 178.44 180.64 2da3 h TYR 33 N 0.31 0.34 -0.73 1.13 0.05 0.32 -0.68 116.97 117.71 2da3 h TYR 33 Ca 0.09 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.89 2da3 h TYR 33 Cb 0.14 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2da3 h TYR 33 CO -0.01 0.35 0.48 1.96 -1.05 0.00 0.00 178.16 179.89 2da3 h GLN 34 N 0.23 0.83 -0.03 4.88 1.08 -0.53 0.67 115.11 122.25 2da3 h GLN 34 Ca 0.08 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.07 2da3 h GLN 34 Cb 0.15 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2da3 h GLN 34 CO -0.01 0.55 -0.70 0.87 -0.95 0.00 0.00 178.83 178.59 2da3 h LYS 35 N 0.86 0.18 -0.02 1.46 1.79 -0.90 -3.14 116.57 116.79 2da3 h LYS 35 Ca 0.29 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 2da3 h LYS 35 Cb 0.09 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2da3 h LYS 35 CO -0.09 0.81 -0.08 -0.92 -1.08 0.00 0.00 179.45 178.09 2da3 h TYR 36 N 0.12 0.12 -1.00 -1.35 3.20 -0.03 0.26 116.97 118.30 2da3 h TYR 36 Ca -0.02 -0.05 0.21 0.00 3.14 0.00 0.00 58.73 62.01 2da3 h TYR 36 Cb 1.25 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 39.40 2da3 h TYR 36 CO 0.02 0.72 0.62 -0.07 -1.64 0.00 0.00 178.16 177.80 2da3 h LEU 37 N -0.51 0.67 0.13 2.82 3.38 -0.97 -1.19 115.31 119.63 2da3 h LEU 37 Ca -0.00 0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.73 2da3 h LEU 37 Cb 0.72 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2da3 h LEU 37 CO 0.02 0.21 -1.71 0.17 0.09 0.00 0.00 178.44 177.22 2da3 h LEU 38 N 0.64 0.41 -6.95 1.67 8.10 -1.56 -3.44 115.31 114.18 2da3 h LEU 38 Ca 0.58 -0.67 -0.50 0.00 0.11 0.00 0.00 57.88 57.39 2da3 h LEU 38 Cb 1.07 -0.13 -0.40 0.00 -0.44 0.00 0.00 40.66 40.75 2da3 h LEU 38 CO -0.35 1.58 -0.76 -0.62 -4.11 0.00 0.00 178.44 174.17 2da3 s ASP 39 N -6.98 2.98 0.00 0.17 2.15 0.92 -4.97 116.67 110.94 2da3 s ASP 39 Ca -0.13 -0.97 0.17 0.00 0.43 0.00 0.00 52.55 52.05 2da3 s ASP 39 Cb 0.07 -0.34 0.27 0.00 -0.30 0.00 0.00 42.92 42.62 2da3 s ASP 39 CO 0.83 -0.39 1.19 -1.20 -0.17 0.00 0.00 175.17 175.44 2da3 n SER 40 N 5.23 2.86 -2.57 -0.34 7.64 -0.91 -3.71 113.62 121.82 2da3 n SER 40 Ca -0.06 -1.84 -0.17 0.00 1.01 0.00 0.00 58.87 57.81 2da3 n SER 40 Cb 0.45 -0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 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 1.03 2.94 -2.91 6.43 5.03 -1.26 -5.00 115.26 121.52 2da3 n ASN 41 Ca 0.13 -3.15 -0.11 0.00 0.87 0.00 0.00 54.58 52.33 2da3 n ASN 41 Cb 0.47 -0.49 0.10 0.00 -1.02 0.00 0.00 39.78 38.84 2da3 n ASN 41 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2da3 n PRO 42 N -0.28 -1.83 -4.20 3.52 -0.04 -1.26 -5.10 135.00 125.81 2da3 n PRO 42 Ca 0.23 -0.66 -0.12 0.00 -0.04 0.00 0.00 63.50 62.90 2da3 n PRO 42 Cb 0.76 -0.62 -0.10 0.00 -0.04 0.00 0.00 33.50 33.49 2da3 n PRO 42 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2da3 s THR 43 N -1.75 0.72 0.28 0.52 -1.32 -1.26 -4.97 115.64 107.85 2da3 s THR 43 Ca 0.27 -1.96 0.13 0.00 -1.21 0.00 0.00 61.69 58.92 2da3 s THR 43 Cb -0.03 -1.84 0.29 0.00 -1.51 0.00 0.00 72.50 69.42 2da3 s THR 43 CO 0.21 -0.73 1.24 0.54 -2.21 0.00 0.00 174.62 173.66 2da3 n ARG 44 N -0.12 -0.05 0.01 7.08 5.12 -1.26 0.16 116.66 127.61 2da3 n ARG 44 Ca -0.10 1.11 -0.10 0.00 -1.93 0.00 0.00 57.85 56.82 2da3 n ARG 44 Cb 0.62 -1.93 -0.05 0.00 -1.16 0.00 0.00 32.46 29.93 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 0.34 5.56 1.63 -1.99 -1.42 116.57 120.66 2da3 h LYS 45 Ca 0.62 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.41 2da3 h LYS 45 Cb 1.58 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 2da3 h LYS 45 CO -0.64 -0.02 -0.17 0.52 -3.45 0.00 0.00 179.45 175.70 2da3 h MET 46 N -0.03 -0.45 -1.19 1.90 2.86 0.12 -2.30 114.93 115.84 2da3 h MET 46 Ca 0.04 0.03 0.35 0.00 -2.06 0.00 0.00 59.70 58.06 2da3 h MET 46 Cb 0.09 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 2da3 h MET 46 CO -0.09 -0.13 0.91 -0.07 1.06 0.00 0.00 176.91 178.59 2da3 h LEU 47 N -0.83 0.00 0.07 1.22 3.38 -1.02 0.36 115.31 118.50 2da3 h LEU 47 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2da3 h LEU 47 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.29 2da3 h LEU 47 CO 0.08 0.00 -0.64 -0.78 0.09 0.00 0.00 178.44 177.19 2da3 h ASP 48 N 0.00 0.44 0.42 -0.43 3.58 -1.09 -2.96 116.42 116.37 2da3 h ASP 48 Ca 0.57 -0.88 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 2da3 h ASP 48 Cb 2.37 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 43.29 2da3 h ASP 48 CO -0.01 1.27 -0.20 -0.74 -2.88 0.00 0.00 179.24 176.69 2da3 h HIS 49 N -0.34 -0.52 -0.41 0.28 2.76 0.15 -1.77 115.15 115.29 2da3 h HIS 49 Ca -0.10 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.14 2da3 h HIS 49 Cb 1.44 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 30.49 2da3 h HIS 49 CO 0.19 -0.22 -0.16 0.82 -1.30 0.00 0.00 177.93 177.26 2da3 h ILE 50 N -0.81 0.48 0.00 6.26 2.04 -0.95 0.33 117.51 124.86 2da3 h ILE 50 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2da3 h ILE 50 Cb 0.54 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2da3 h ILE 50 CO 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.22 2da3 h ALA 51 N 1.26 1.16 0.01 1.87 0.00 -1.52 -0.52 119.26 121.52 2da3 h ALA 51 Ca 0.20 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 2da3 h ALA 51 Cb 0.38 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2da3 h ALA 51 CO -0.46 0.04 -1.03 1.25 0.00 0.00 0.00 179.25 179.04 2da3 h HIS 52 N 0.00 0.94 0.12 0.00 6.17 0.54 -1.30 115.15 121.61 2da3 h HIS 52 Ca -0.00 -0.51 -0.29 0.00 0.71 0.00 0.00 60.37 60.28 2da3 h HIS 52 Cb 0.16 -0.10 0.02 0.00 2.52 0.00 0.00 27.41 30.01 2da3 h HIS 52 CO 0.00 1.35 -1.22 1.05 0.71 0.00 0.00 177.93 179.81 2da3 h GLU 53 N 0.35 0.51 0.00 5.26 4.11 -0.57 -3.26 114.58 120.99 2da3 h GLU 53 Ca -0.12 -0.71 -0.10 0.00 0.07 0.00 0.00 59.36 58.50 2da3 h GLU 53 Cb 1.68 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 2da3 h GLU 53 CO 0.20 1.31 -0.48 0.28 0.07 0.00 0.00 179.01 180.39 2da3 h VAL 54 N 0.22 1.05 -1.79 -1.06 2.07 -1.21 -3.48 116.25 112.06 2da3 h VAL 54 Ca -0.17 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.44 2da3 h VAL 54 Cb 1.90 2.08 0.02 0.00 -1.52 0.00 0.00 31.29 33.77 2da3 h VAL 54 CO 0.22 0.47 -0.12 0.61 0.02 0.00 0.00 177.57 178.77 2da3 n GLY 55 N 0.40 0.64 3.19 2.17 0.00 -0.54 -4.98 105.19 106.07 2da3 n GLY 55 Ca -0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.09 2.06 -0.41 0.99 2.96 -0.92 -4.94 118.68 116.34 2da3 s LEU 56 Ca 0.10 -0.37 -0.37 0.00 -0.22 0.00 0.00 54.13 53.27 2da3 s LEU 56 Cb -0.04 -0.95 -0.16 0.00 0.50 0.00 0.00 46.19 45.54 2da3 s LEU 56 CO 0.12 0.21 1.51 0.29 -1.32 0.00 0.00 176.35 177.17 2da3 n LYS 57 N 2.48 0.00 -0.36 1.98 4.76 -1.26 -4.68 118.16 121.08 2da3 n LYS 57 Ca -0.15 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.36 2da3 n LYS 57 Cb 0.54 -1.22 0.16 0.00 -1.84 0.00 0.00 35.03 32.67 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 4.62 -0.09 0.05 1.97 0.00 -1.26 -0.17 118.16 123.28 2da3 n LYS 58 Ca 0.35 1.54 -0.12 0.00 0.00 0.00 0.00 58.31 60.08 2da3 n LYS 58 Cb -0.04 -2.33 -0.05 0.00 0.00 0.00 0.00 35.03 32.61 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 -0.45 -0.91 1.64 9.65 -1.93 0.42 114.38 122.79 2da3 h ARG 59 Ca 0.50 0.03 0.17 0.00 -1.10 0.00 0.00 59.98 59.58 2da3 h ARG 59 Cb 0.81 0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 29.39 2da3 h ARG 59 CO -1.01 -0.30 0.49 0.28 2.80 0.00 0.00 179.97 182.23 2da3 h VAL 60 N -0.47 0.69 -0.21 0.20 2.07 -0.89 0.79 116.25 118.43 2da3 h VAL 60 Ca 0.06 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 2da3 h VAL 60 Cb 0.56 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2da3 h VAL 60 CO -0.28 0.12 -0.57 0.58 0.02 0.00 0.00 177.57 177.44 2da3 h VAL 61 N 0.65 1.31 0.25 2.57 2.07 -0.33 -0.49 116.25 122.28 2da3 h VAL 61 Ca 0.51 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2da3 h VAL 61 Cb 0.78 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2da3 h VAL 61 CO -0.39 0.57 -0.12 -0.61 0.02 0.00 0.00 177.57 177.04 2da3 h GLN 62 N 0.50 -0.33 -0.11 1.57 4.15 0.17 -3.17 115.11 117.90 2da3 h GLN 62 Ca 0.00 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2da3 h GLN 62 Cb 1.15 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 2da3 h GLN 62 CO 0.11 -0.10 -0.01 0.28 -1.93 0.00 0.00 178.83 177.19 2da3 h VAL 63 N -0.51 1.26 -1.98 2.39 2.07 -0.99 -2.90 116.25 115.59 2da3 h VAL 63 Ca -0.03 -0.84 0.57 0.00 0.82 0.00 0.00 66.70 67.22 2da3 h VAL 63 Cb 0.38 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 2da3 h VAL 63 CO 0.06 0.24 1.43 1.87 0.02 0.00 0.00 177.57 181.19 2da3 n TRP 64 N -4.80 0.00 -0.06 1.57 -0.00 -0.19 0.86 117.44 114.82 2da3 n TRP 64 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.30 2da3 n TRP 64 Cb 0.21 -0.49 -0.13 0.00 -0.00 0.00 0.00 31.31 30.90 2da3 n TRP 64 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2da3 h PHE 65 N 0.00 0.01 -0.13 5.87 -1.00 -1.48 -2.90 116.94 117.30 2da3 h PHE 65 Ca 0.94 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.74 2da3 h PHE 65 Cb 3.79 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 43.35 2da3 h PHE 65 CO 0.00 0.92 0.09 -0.56 -1.61 0.00 0.00 178.31 177.15 2da3 h GLN 66 N -0.91 0.08 -0.15 1.51 3.07 0.47 -2.01 115.11 117.16 2da3 h GLN 66 Ca -0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.59 2da3 h GLN 66 Cb 0.93 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.47 2da3 h GLN 66 CO 0.00 0.05 -0.46 -0.91 0.09 0.00 0.00 178.83 177.61 2da3 h ASN 67 N 0.08 0.67 -0.35 0.06 2.35 -1.06 -3.14 115.58 114.19 2da3 h ASN 67 Ca 0.06 -0.59 0.02 0.00 -0.55 0.00 0.00 56.30 55.24 2da3 h ASN 67 Cb 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2da3 h ASN 67 CO -0.01 1.14 0.18 0.74 -1.65 0.00 0.00 177.43 177.84 2da3 h THR 68 N 0.23 0.99 0.10 2.81 2.02 -1.16 -2.71 112.91 115.19 2da3 h THR 68 Ca -0.01 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2da3 h THR 68 Cb 1.08 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 2da3 h THR 68 CO 0.10 0.07 -0.44 0.03 0.37 0.00 0.00 175.52 175.65 2da3 h ARG 69 N 0.37 -0.63 -1.06 6.66 3.08 -1.49 0.53 114.38 121.83 2da3 h ARG 69 Ca 0.15 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.52 2da3 h ARG 69 Cb 0.05 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 2da3 h ARG 69 CO -0.09 -0.42 0.72 0.00 -1.07 0.00 0.00 179.97 179.10 2da3 h ALA 70 N -0.21 2.53 -0.06 0.04 0.00 -1.47 0.83 119.26 120.91 2da3 h ALA 70 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2da3 h ALA 70 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2da3 h ALA 70 CO -0.26 -0.90 -0.25 0.00 0.00 0.00 0.00 179.25 177.83 2da3 h ARG 71 N 0.25 0.28 -0.78 0.00 3.08 -0.79 -0.26 114.38 116.16 2da3 h ARG 71 Ca 0.57 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.41 2da3 h ARG 71 Cb 1.73 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.78 2da3 h ARG 71 CO -0.19 0.86 0.51 0.93 -1.07 0.00 0.00 179.97 181.01 2da3 h GLU 72 N -0.24 1.02 -0.19 0.04 4.39 0.12 -2.73 114.58 116.99 2da3 h GLU 72 Ca -0.01 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.41 2da3 h GLU 72 Cb 0.90 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2da3 h GLU 72 CO 0.05 0.68 -0.72 0.07 -1.16 0.00 0.00 179.01 177.93 2da3 h ARG 73 N 1.05 0.82 -0.93 2.33 0.11 -1.05 -3.29 114.38 113.43 2da3 h ARG 73 Ca 0.28 -0.63 0.15 0.00 0.10 0.00 0.00 59.98 59.88 2da3 h ARG 73 Cb -0.12 0.12 -0.15 0.00 1.11 0.00 0.00 29.97 30.93 2da3 h ARG 73 CO -0.06 1.24 -0.37 -0.22 0.10 0.00 0.00 179.97 180.66 2da3 h LYS 74 N 0.57 -0.03 -5.48 0.08 3.64 -0.72 -3.37 116.57 111.26 2da3 h LYS 74 Ca -0.04 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.70 2da3 h LYS 74 Cb 1.35 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 33.00 2da3 h LYS 74 CO 0.15 -0.02 -0.61 0.45 -2.27 0.00 0.00 179.45 177.15 2da3 s SER 75 N -5.32 5.23 0.54 4.20 0.15 -1.19 -5.09 113.70 112.23 2da3 s SER 75 Ca -0.14 0.03 -0.21 0.00 0.70 0.00 0.00 55.95 56.33 2da3 s SER 75 Cb 0.20 -1.77 -0.05 0.00 -1.71 0.00 0.00 66.02 62.69 2da3 s SER 75 CO 0.71 0.23 1.25 -0.83 1.20 0.00 0.00 173.24 175.81 2da3 s GLY 76 N -0.01 2.80 0.41 9.45 0.00 -1.26 -4.84 107.32 113.87 2da3 s GLY 76 Ca 0.03 1.10 -0.25 0.00 0.00 0.00 0.00 44.72 45.61 2da3 s GLY 76 CO 0.02 1.56 1.19 2.56 0.00 0.00 0.00 173.10 178.42 2da3 s PRO 77 N -3.02 4.01 1.02 2.90 0.04 -1.26 -4.96 135.00 133.72 2da3 s PRO 77 Ca 0.72 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 2da3 s PRO 77 Cb -0.33 -2.66 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 2da3 s PRO 77 CO 0.38 -0.37 -0.94 0.43 0.04 0.00 0.00 177.00 176.54 2da3 n SER 78 N 0.02 -3.68 -3.85 6.66 7.64 -1.26 -1.95 113.62 117.20 2da3 n SER 78 Ca 0.05 0.06 -0.31 0.00 1.01 0.00 0.00 58.87 59.67 2da3 n SER 78 Cb 0.46 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 2da3 n SER 78 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2da3 n SER 79 N 2.27 -0.93 0.00 6.43 3.41 -1.26 -5.32 113.62 118.23 2da3 n SER 79 Ca -0.01 -0.96 0.09 0.00 -0.26 0.00 0.00 58.87 57.72 2da3 n SER 79 Cb 0.66 -1.23 0.51 0.00 -0.26 0.00 0.00 64.21 63.90 2da3 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49