#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk3 s SER 2 N 0.00 5.01 0.31 1.61 1.04 -1.26 -5.14 113.70 115.27 2dk3 s SER 2 Ca 0.00 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 55.67 2dk3 s SER 2 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2dk3 s SER 2 CO 0.00 -1.41 0.17 -0.55 0.98 0.00 0.00 173.24 172.43 2dk3 s SER 3 N -4.68 1.62 0.05 7.02 0.15 -1.26 -5.12 113.70 111.49 2dk3 s SER 3 Ca 0.62 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2dk3 s SER 3 Cb -0.06 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2dk3 s SER 3 CO 0.40 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2dk3 n GLY 4 N -0.61 -1.78 3.25 9.45 0.00 -1.26 -4.99 105.19 109.25 2dk3 n GLY 4 Ca 0.01 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 2dk3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk3 s SER 5 N -4.33 2.33 -0.25 1.61 0.01 -1.26 -5.14 113.70 106.67 2dk3 s SER 5 Ca 0.00 -0.63 -0.27 0.00 1.31 0.00 0.00 55.95 56.36 2dk3 s SER 5 Cb 0.00 -0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.25 2dk3 s SER 5 CO 0.00 0.06 1.19 -0.55 0.41 0.00 0.00 173.24 174.34 2dk3 s SER 6 N -1.68 -0.24 0.00 2.44 0.15 -1.26 -5.18 113.70 107.92 2dk3 s SER 6 Ca 0.05 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2dk3 s SER 6 Cb -0.10 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2dk3 s SER 6 CO 0.03 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dk3 n GLY 7 N 1.25 -1.03 3.83 9.45 0.00 -1.26 -5.14 105.19 112.28 2dk3 n GLY 7 Ca -0.09 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 2dk3 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dk3 s VAL 8 N -3.00 4.68 0.41 1.61 1.01 -1.26 -4.95 120.40 118.90 2dk3 s VAL 8 Ca 0.00 1.12 0.25 0.00 0.00 0.00 0.00 61.98 63.35 2dk3 s VAL 8 Cb 0.00 -3.81 0.44 0.00 0.00 0.00 0.00 36.38 33.01 2dk3 s VAL 8 CO 0.00 0.22 1.66 0.08 0.00 0.00 0.00 175.10 177.07 2dk3 h ARG 9 N 3.47 0.18 -1.93 2.72 0.11 -2.07 0.20 114.38 117.07 2dk3 h ARG 9 Ca -0.48 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.47 2dk3 h ARG 9 Cb 1.19 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 32.19 2dk3 h ARG 9 CO 0.65 0.12 -0.01 -1.13 0.10 0.00 0.00 179.97 179.70 2dk3 n SER 10 N -4.73 5.54 -0.07 0.08 3.41 -1.26 -4.26 113.62 112.33 2dk3 n SER 10 Ca 0.33 -2.56 -0.08 0.00 -0.26 0.00 0.00 58.87 56.30 2dk3 n SER 10 Cb 1.23 -1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 2dk3 n SER 10 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2dk3 h GLN 11 N 1.66 0.00 -1.01 4.33 3.07 -0.98 -3.36 115.11 118.82 2dk3 h GLN 11 Ca 0.11 0.00 0.24 0.00 0.09 0.00 0.00 58.65 59.09 2dk3 h GLN 11 Cb 1.10 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 28.54 2dk3 h GLN 11 CO 0.21 0.41 0.61 -0.24 0.09 0.00 0.00 178.83 179.91 2dk3 h VAL 12 N -1.00 0.55 -0.85 1.86 3.04 -1.84 0.40 116.25 118.41 2dk3 h VAL 12 Ca -0.06 -0.20 0.24 0.00 -1.01 0.00 0.00 66.70 65.68 2dk3 h VAL 12 Cb 0.57 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.73 2dk3 h VAL 12 CO -0.03 0.11 0.61 -0.07 -1.01 0.00 0.00 177.57 177.18 2dk3 h LEU 13 N 0.58 0.02 -1.38 3.16 3.38 -1.87 0.71 115.31 119.91 2dk3 h LEU 13 Ca 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.55 2dk3 h LEU 13 Cb 1.22 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2dk3 h LEU 13 CO -0.45 0.01 -0.26 0.11 0.09 0.00 0.00 178.44 177.94 2dk3 h LYS 14 N 0.02 0.00 0.00 1.13 1.57 -0.36 -2.79 116.57 116.14 2dk3 h LYS 14 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2dk3 h LYS 14 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2dk3 h LYS 14 CO -0.01 0.26 -1.57 0.66 -0.57 0.00 0.00 179.45 178.22 2dk3 n TYR 15 N -3.69 0.15 -1.17 -1.35 4.02 0.22 -4.75 117.16 110.59 2dk3 n TYR 15 Ca -0.01 0.04 -0.32 0.00 -0.01 0.00 0.00 57.90 57.60 2dk3 n TYR 15 Cb 0.38 -0.46 -0.10 0.00 -0.02 0.00 0.00 39.34 39.14 2dk3 n TYR 15 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2dk3 n MET 16 N -2.13 0.45 -4.39 -0.72 2.81 0.15 -4.85 117.12 108.43 2dk3 n MET 16 Ca -0.01 -1.55 -0.26 0.00 -1.81 0.00 0.00 57.70 54.06 2dk3 n MET 16 Cb 0.51 -3.22 -0.11 0.00 -0.71 0.00 0.00 33.22 29.69 2dk3 n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2dk3 s VAL 17 N 10.92 2.62 -0.58 2.03 -7.23 -1.26 -3.97 120.40 122.93 2dk3 s VAL 17 Ca 0.72 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.62 2dk3 s VAL 17 Cb 0.06 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2dk3 s VAL 17 CO 0.24 -0.17 1.85 -2.16 -0.31 0.00 0.00 175.10 174.54 2dk3 s PRO 18 N -2.89 2.70 0.00 4.82 0.04 -1.26 -2.51 135.00 135.91 2dk3 s PRO 18 Ca 0.24 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2dk3 s PRO 18 Cb -0.08 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.10 2dk3 s PRO 18 CO 0.12 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2dk3 n GLY 19 N 5.66 0.17 4.00 0.56 0.00 0.37 -4.83 105.19 111.13 2dk3 n GLY 19 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2dk3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 s ALA 20 N -0.91 4.02 -0.16 4.61 0.00 -1.04 -4.92 121.76 123.36 2dk3 s ALA 20 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 2dk3 s ALA 20 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2dk3 s ALA 20 CO 0.00 -1.13 0.10 1.03 0.00 0.00 0.00 175.76 175.76 2dk3 s ARG 21 N -4.92 3.79 0.13 0.00 1.81 -1.26 -2.62 118.95 115.88 2dk3 s ARG 21 Ca 0.63 -0.25 -0.03 0.00 -1.72 0.00 0.00 55.73 54.36 2dk3 s ARG 21 Cb -0.07 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.17 2dk3 s ARG 21 CO 0.41 0.47 0.11 0.14 -0.68 0.00 0.00 175.30 175.76 2dk3 s VAL 22 N -0.17 0.11 0.15 3.52 -7.23 -1.12 -2.61 120.40 113.05 2dk3 s VAL 22 Ca 0.09 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2dk3 s VAL 22 Cb -0.12 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2dk3 s VAL 22 CO 0.01 -0.49 0.10 0.27 -0.31 0.00 0.00 175.10 174.68 2dk3 s ILE 23 N -4.00 0.07 0.32 -0.62 -4.36 0.95 -0.13 121.20 113.43 2dk3 s ILE 23 Ca 0.19 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.41 2dk3 s ILE 23 Cb 0.06 -2.16 -0.12 0.00 1.25 0.00 0.00 42.46 41.49 2dk3 s ILE 23 CO -0.01 -0.32 1.34 -2.11 0.24 0.00 0.00 174.94 174.09 2dk3 n ARG 24 N -0.16 2.16 -3.47 0.37 1.85 -1.26 -1.67 116.66 114.48 2dk3 n ARG 24 Ca -0.03 0.76 -0.22 0.00 -1.00 0.00 0.00 57.85 57.36 2dk3 n ARG 24 Cb 0.64 -2.38 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 2dk3 n ARG 24 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2dk3 s GLY 25 N -0.13 2.09 0.43 2.89 0.00 0.32 -4.72 107.32 108.19 2dk3 s GLY 25 Ca 0.58 -1.74 0.17 0.00 0.00 0.00 0.00 44.72 43.73 2dk3 s GLY 25 CO 0.59 -1.75 1.90 1.41 0.00 0.00 0.00 173.10 175.25 2dk3 h LEU 26 N 0.69 0.37 -3.37 0.66 3.38 -1.81 -0.04 115.31 115.18 2dk3 h LEU 26 Ca -0.37 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.35 2dk3 h LEU 26 Cb 1.28 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 2dk3 h LEU 26 CO 0.52 0.17 0.36 0.47 0.09 0.00 0.00 178.44 180.05 2dk3 n ASP 27 N -4.48 6.08 -4.49 -0.43 8.00 -1.21 -4.82 116.55 115.21 2dk3 n ASP 27 Ca 0.16 -2.96 -0.43 0.00 0.71 0.00 0.00 54.79 52.27 2dk3 n ASP 27 Cb 0.61 -1.03 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 2dk3 n ASP 27 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2dk3 s TRP 28 N -1.58 3.07 -0.40 1.24 -0.11 -0.03 -4.34 118.94 116.77 2dk3 s TRP 28 Ca 0.27 -1.52 -0.04 0.00 1.22 0.00 0.00 56.10 56.03 2dk3 s TRP 28 Cb 0.21 -4.43 0.03 0.00 -1.50 0.00 0.00 33.47 27.78 2dk3 s TRP 28 CO 0.00 -1.59 2.85 0.36 -4.62 0.00 0.00 176.95 173.95 2dk3 n LYS 29 N 7.00 2.35 -3.99 5.86 2.85 -1.26 -4.88 118.16 126.08 2dk3 n LYS 29 Ca 0.32 -2.19 -0.10 0.00 -1.05 0.00 0.00 58.31 55.30 2dk3 n LYS 29 Cb 0.47 -2.12 -0.07 0.00 -0.65 0.00 0.00 35.03 32.66 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2dk3 s TRP 30 N -1.43 0.48 0.44 5.58 0.52 -1.26 -5.18 118.94 118.09 2dk3 s TRP 30 Ca 0.59 -0.84 0.00 0.00 0.02 0.00 0.00 56.10 55.87 2dk3 s TRP 30 Cb 0.37 -0.13 0.09 0.00 -1.15 0.00 0.00 33.47 32.65 2dk3 s TRP 30 CO -0.20 -0.68 0.60 0.54 0.02 0.00 0.00 176.95 177.23 2dk3 n ARG 31 N -0.19 0.21 -1.55 4.98 1.74 -1.26 -4.94 116.66 115.65 2dk3 n ARG 31 Ca -0.07 -1.67 -0.29 0.00 -0.77 0.00 0.00 57.85 55.06 2dk3 n ARG 31 Cb 0.63 -0.39 -0.06 0.00 -1.02 0.00 0.00 32.46 31.63 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dk3 n ASP 32 N -2.92 1.87 -0.11 0.55 9.92 -1.26 -4.71 116.55 119.90 2dk3 n ASP 32 Ca 0.10 -0.78 -0.21 0.00 -0.53 0.00 0.00 54.79 53.38 2dk3 n ASP 32 Cb 0.36 -1.53 -0.12 0.00 -0.64 0.00 0.00 41.12 39.19 2dk3 n ASP 32 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dk3 n GLN 33 N 8.78 0.65 -0.94 -1.24 6.02 -1.26 -4.40 117.38 124.99 2dk3 n GLN 33 Ca 0.43 0.20 -0.17 0.00 -0.01 0.00 0.00 57.00 57.45 2dk3 n GLN 33 Cb 0.46 -1.55 0.02 0.00 1.02 0.00 0.00 30.24 30.19 2dk3 n GLN 33 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dk3 n ASP 34 N -3.50 6.42 0.00 1.08 2.03 -1.26 -4.52 116.55 116.80 2dk3 n ASP 34 Ca -0.45 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 51.81 2dk3 n ASP 34 Cb 0.97 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2dk3 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dk3 n GLY 35 N 0.47 0.56 2.92 0.27 0.00 -1.26 -2.97 105.19 105.17 2dk3 n GLY 35 Ca 0.31 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 2dk3 n GLY 35 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk3 s SER 36 N -1.19 2.86 0.81 1.61 0.15 -1.26 -1.00 113.70 115.68 2dk3 s SER 36 Ca 0.00 -0.66 -0.11 0.00 0.70 0.00 0.00 55.95 55.88 2dk3 s SER 36 Cb 0.00 -0.98 0.08 0.00 -1.71 0.00 0.00 66.02 63.41 2dk3 s SER 36 CO 0.00 -0.16 1.09 -2.16 1.20 0.00 0.00 173.24 173.21 2dk3 s PRO 37 N 1.59 1.94 -0.24 5.44 0.04 -1.26 -5.06 135.00 137.45 2dk3 s PRO 37 Ca 0.01 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 2dk3 s PRO 37 Cb -0.15 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2dk3 s PRO 37 CO -0.08 -1.84 1.75 1.14 0.04 0.00 0.00 177.00 178.01 2dk3 s GLN 38 N -4.91 3.61 0.00 4.56 -2.07 -0.17 -4.96 119.66 115.72 2dk3 s GLN 38 Ca 0.62 1.67 0.00 0.00 -1.82 0.00 0.00 55.36 55.83 2dk3 s GLN 38 Cb -0.17 -4.12 0.00 0.00 -1.09 0.00 0.00 33.01 27.62 2dk3 s GLN 38 CO 0.56 -1.53 0.00 0.41 -1.32 0.00 0.00 175.29 173.42 2dk3 n GLY 39 N 5.00 0.86 3.51 2.60 0.00 -1.16 -4.99 105.19 111.02 2dk3 n GLY 39 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2dk3 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk3 s GLU 40 N 0.23 2.00 0.00 1.61 8.01 -1.26 -4.61 118.70 124.68 2dk3 s GLU 40 Ca 0.00 -1.06 0.00 0.00 0.01 0.00 0.00 54.97 53.92 2dk3 s GLU 40 Cb 0.00 -2.21 0.00 0.00 -4.31 0.00 0.00 34.13 27.61 2dk3 s GLU 40 CO 0.00 0.51 0.00 0.41 0.01 0.00 0.00 175.26 176.19 2dk3 n GLY 41 N 0.99 2.53 2.94 -1.39 0.00 0.81 -4.50 105.19 106.57 2dk3 n GLY 41 Ca -0.15 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 2dk3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk3 s THR 42 N 1.09 -0.62 0.29 2.61 2.01 -1.25 -2.81 115.64 116.97 2dk3 s THR 42 Ca 0.00 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2dk3 s THR 42 Cb 0.00 -0.81 -0.13 0.00 0.01 0.00 0.00 72.50 71.57 2dk3 s THR 42 CO 0.00 -0.11 1.34 0.52 -0.69 0.00 0.00 174.62 175.68 2dk3 n VAL 43 N 5.37 1.52 -0.12 3.82 0.31 -1.08 -0.93 118.33 127.22 2dk3 n VAL 43 Ca -0.04 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2dk3 n VAL 43 Cb 0.50 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2dk3 n VAL 43 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2dk3 n THR 44 N 1.06 0.00 -4.20 2.52 5.66 0.04 0.14 114.28 119.51 2dk3 n THR 44 Ca 0.08 -0.31 -0.17 0.00 -3.05 0.00 0.00 64.05 60.60 2dk3 n THR 44 Cb 0.34 1.12 -0.11 0.00 -1.55 0.00 0.00 70.33 70.12 2dk3 n THR 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2dk3 s GLY 45 N -0.43 0.93 0.11 1.09 0.00 -0.81 -4.68 107.32 103.54 2dk3 s GLY 45 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.27 2dk3 s GLY 45 CO 0.00 -1.20 1.00 -0.54 0.00 0.00 0.00 173.10 172.36 2dk3 s GLU 46 N -2.33 4.66 -0.52 2.90 8.01 -1.26 -3.83 118.70 126.33 2dk3 s GLU 46 Ca 0.04 1.51 -0.26 0.00 0.01 0.00 0.00 54.97 56.26 2dk3 s GLU 46 Cb -0.06 -3.37 -0.06 0.00 -4.31 0.00 0.00 34.13 26.33 2dk3 s GLU 46 CO 0.02 0.15 2.29 -1.17 0.01 0.00 0.00 175.26 176.56 2dk3 s LEU 47 N 0.07 3.38 -0.16 1.80 2.96 -1.25 -4.52 118.68 120.95 2dk3 s LEU 47 Ca 0.48 0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 55.25 2dk3 s LEU 47 Cb -0.24 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 2dk3 s LEU 47 CO 0.30 -2.77 0.03 -1.38 -1.32 0.00 0.00 176.35 171.21 2dk3 s HIS 48 N 11.53 3.18 -0.93 5.38 -3.43 0.40 -4.44 115.29 126.98 2dk3 s HIS 48 Ca 0.91 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 55.15 2dk3 s HIS 48 Cb -0.16 -2.00 0.00 0.00 -1.43 0.00 0.00 32.58 28.99 2dk3 s HIS 48 CO 0.25 0.15 0.00 0.09 -2.00 0.00 0.00 174.74 173.23 2dk3 n ASN 49 N 3.32 -3.03 -0.21 7.38 4.13 -1.26 -0.11 115.26 125.49 2dk3 n ASN 49 Ca -0.17 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2dk3 n ASN 49 Cb 0.53 -2.74 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 2dk3 n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dk3 n GLY 50 N -0.51 0.92 2.90 7.41 0.00 -1.26 -4.29 105.19 110.36 2dk3 n GLY 50 Ca -0.11 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2dk3 n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dk3 s TRP 51 N -2.42 -0.45 0.00 1.61 0.52 0.84 -2.67 118.94 116.38 2dk3 s TRP 51 Ca 0.00 0.69 0.07 0.00 0.02 0.00 0.00 56.10 56.88 2dk3 s TRP 51 Cb 0.00 -0.14 -0.02 0.00 -1.15 0.00 0.00 33.47 32.16 2dk3 s TRP 51 CO 0.00 -0.51 -0.22 -1.50 0.02 0.00 0.00 176.95 174.74 2dk3 s ILE 52 N 2.41 1.72 0.21 2.03 -1.16 -1.23 -0.45 121.20 124.74 2dk3 s ILE 52 Ca 0.05 -1.03 -0.08 0.00 -0.51 0.00 0.00 60.65 59.08 2dk3 s ILE 52 Cb -0.14 -1.45 -0.07 0.00 0.61 0.00 0.00 42.46 41.41 2dk3 s ILE 52 CO -0.11 0.40 0.50 -1.81 -2.81 0.00 0.00 174.94 171.11 2dk3 s ASP 53 N -0.74 6.58 -0.09 4.50 1.11 -1.25 -1.65 116.67 125.12 2dk3 s ASP 53 Ca 0.08 0.82 -0.04 0.00 0.18 0.00 0.00 52.55 53.60 2dk3 s ASP 53 Cb -0.09 -2.19 0.05 0.00 1.07 0.00 0.00 42.92 41.77 2dk3 s ASP 53 CO 0.00 -0.04 0.20 0.54 1.18 0.00 0.00 175.17 177.04 2dk3 s VAL 54 N -1.79 -0.22 -0.57 -1.27 0.11 -0.87 -0.78 120.40 115.01 2dk3 s VAL 54 Ca 0.46 0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 59.60 2dk3 s VAL 54 Cb -0.11 -0.33 0.12 0.00 -1.53 0.00 0.00 36.38 34.52 2dk3 s VAL 54 CO 0.22 0.11 0.61 -0.89 -3.33 0.00 0.00 175.10 171.83 2dk3 s THR 55 N 1.92 5.01 0.38 5.04 2.01 -0.11 -3.32 115.64 126.57 2dk3 s THR 55 Ca -0.02 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 2dk3 s THR 55 Cb -0.12 -4.42 -0.09 0.00 0.01 0.00 0.00 72.50 67.88 2dk3 s THR 55 CO -0.07 -1.01 1.22 0.26 -0.69 0.00 0.00 174.62 174.33 2dk3 s TRP 56 N 2.16 3.03 0.11 4.92 0.52 0.37 -3.74 118.94 126.31 2dk3 s TRP 56 Ca 0.08 1.51 -0.21 0.00 0.02 0.00 0.00 56.10 57.49 2dk3 s TRP 56 Cb -0.27 -3.51 -0.09 0.00 -1.15 0.00 0.00 33.47 28.46 2dk3 s TRP 56 CO 0.04 -1.56 1.72 0.22 0.02 0.00 0.00 176.95 177.40 2dk3 h ASP 57 N 2.85 -0.08 -0.99 2.95 1.82 -1.87 -2.49 116.42 118.61 2dk3 h ASP 57 Ca -0.49 0.03 0.32 0.00 -0.39 0.00 0.00 57.03 56.50 2dk3 h ASP 57 Cb 1.23 0.06 -0.18 0.00 0.68 0.00 0.00 39.33 41.12 2dk3 h ASP 57 CO 0.63 -0.02 0.22 0.00 -1.61 0.00 0.00 179.24 178.46 2dk3 h ALA 58 N 1.10 1.52 0.00 -0.78 0.00 -1.88 -3.44 119.26 115.78 2dk3 h ALA 58 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dk3 h ALA 58 Cb 0.07 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dk3 h ALA 58 CO -0.10 -0.69 0.00 0.41 0.00 0.00 0.00 179.25 178.87 2dk3 n GLY 59 N -1.41 1.75 0.00 0.00 0.00 -0.94 -4.91 105.19 99.69 2dk3 n GLY 59 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2dk3 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dk3 n GLY 60 N 0.00 4.02 3.11 -0.02 0.00 -1.23 -4.92 105.19 106.15 2dk3 n GLY 60 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 2dk3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk3 s SER 61 N 0.00 -0.27 0.16 1.61 1.04 -1.26 -0.48 113.70 114.49 2dk3 s SER 61 Ca 0.00 0.53 -0.24 0.00 0.48 0.00 0.00 55.95 56.72 2dk3 s SER 61 Cb 0.00 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.68 2dk3 s SER 61 CO 0.00 -0.12 1.01 0.20 0.98 0.00 0.00 173.24 175.30 2dk3 s ASN 62 N 0.61 -0.10 -0.03 7.02 -0.87 -1.21 -4.96 114.94 115.40 2dk3 s ASN 62 Ca -0.04 -0.49 -0.17 0.00 -1.57 0.00 0.00 52.86 50.59 2dk3 s ASN 62 Cb -0.05 0.48 -0.05 0.00 -0.02 0.00 0.00 41.25 41.60 2dk3 s ASN 62 CO -0.04 -0.91 0.47 -0.94 -2.57 0.00 0.00 177.10 173.12 2dk3 s SER 63 N -3.10 6.82 -0.04 -1.22 1.04 -1.26 -2.05 113.70 113.89 2dk3 s SER 63 Ca 0.16 0.97 0.06 0.00 0.48 0.00 0.00 55.95 57.62 2dk3 s SER 63 Cb -0.01 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 2dk3 s SER 63 CO 0.03 0.19 -0.22 -0.31 0.98 0.00 0.00 173.24 173.91 2dk3 s TYR 64 N -0.41 2.10 0.02 5.02 1.51 -0.66 -4.94 117.35 119.98 2dk3 s TYR 64 Ca 0.26 -0.55 -0.32 0.00 -1.01 0.00 0.00 57.07 55.45 2dk3 s TYR 64 Cb -0.17 -1.38 -0.11 0.00 -0.11 0.00 0.00 41.96 40.20 2dk3 s TYR 64 CO 0.13 -0.14 1.89 0.54 -1.11 0.00 0.00 175.55 176.86 2dk3 n ARG 65 N 2.86 2.56 -1.53 -0.62 1.74 -1.26 -3.47 116.66 116.94 2dk3 n ARG 65 Ca -0.17 0.94 0.01 0.00 -0.77 0.00 0.00 57.85 57.85 2dk3 n ARG 65 Cb 0.52 -2.83 0.08 0.00 -1.02 0.00 0.00 32.46 29.21 2dk3 n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dk3 n MET 66 N 6.58 1.14 0.00 5.56 2.81 -1.09 -0.52 117.12 131.60 2dk3 n MET 66 Ca 0.20 -2.87 0.00 0.00 -1.81 0.00 0.00 57.70 53.23 2dk3 n MET 66 Cb 0.35 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 2dk3 n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dk3 n GLY 67 N -0.28 0.98 0.41 3.03 0.00 -1.08 -4.85 105.19 103.40 2dk3 n GLY 67 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2dk3 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 h ALA 68 N 0.00 -0.37 -0.27 4.61 0.00 -1.71 -0.86 119.26 120.66 2dk3 h ALA 68 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2dk3 h ALA 68 Cb 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2dk3 h ALA 68 CO 0.00 -0.88 -0.01 0.39 0.00 0.00 0.00 179.25 178.75 2dk3 n GLU 69 N -5.32 2.51 -1.99 0.00 1.02 -1.26 -4.93 120.64 110.68 2dk3 n GLU 69 Ca 0.04 -2.91 -0.04 0.00 -0.02 0.00 0.00 57.16 54.23 2dk3 n GLU 69 Cb 0.30 -1.82 -0.00 0.00 -0.02 0.00 0.00 31.44 29.90 2dk3 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dk3 n GLY 70 N -0.75 0.25 3.05 0.62 0.00 -0.33 -5.04 105.19 103.00 2dk3 n GLY 70 Ca 0.24 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2dk3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk3 s LYS 71 N -4.03 2.31 -0.62 1.61 -0.14 -1.26 -4.91 119.74 112.71 2dk3 s LYS 71 Ca 0.00 -0.58 -0.16 0.00 -1.36 0.00 0.00 55.97 53.87 2dk3 s LYS 71 Cb 0.00 -2.01 0.15 0.00 -1.68 0.00 0.00 37.83 34.29 2dk3 s LYS 71 CO 0.00 -0.12 0.58 -0.06 -0.76 0.00 0.00 175.35 174.99 2dk3 s PHE 72 N 1.15 3.36 0.10 3.18 0.08 -1.26 -2.64 117.98 121.95 2dk3 s PHE 72 Ca -0.03 -1.44 0.01 0.00 0.12 0.00 0.00 56.93 55.59 2dk3 s PHE 72 Cb -0.14 -3.82 -0.23 0.00 -0.57 0.00 0.00 43.02 38.26 2dk3 s PHE 72 CO -0.05 -1.03 1.22 -0.44 -0.10 0.00 0.00 175.22 174.81 2dk3 h ASP 73 N 8.64 0.25 -1.72 1.36 5.19 -1.00 -3.19 116.42 125.95 2dk3 h ASP 73 Ca -0.20 -0.26 -0.52 0.00 -0.62 0.00 0.00 57.03 55.43 2dk3 h ASP 73 Cb 1.08 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 2dk3 h ASP 73 CO 0.98 1.19 -0.45 -0.76 -3.12 0.00 0.00 179.24 177.07 2dk3 s LEU 74 N -7.01 3.38 0.17 1.55 1.43 -1.26 0.12 118.68 117.06 2dk3 s LEU 74 Ca -0.02 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.12 2dk3 s LEU 74 Cb 0.08 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.42 2dk3 s LEU 74 CO 0.85 -0.46 0.81 -1.59 0.23 0.00 0.00 176.35 176.20 2dk3 s LYS 75 N -3.99 1.36 0.52 1.70 -2.85 -0.67 -4.65 119.74 111.15 2dk3 s LYS 75 Ca 0.42 -0.69 -0.22 0.00 -1.00 0.00 0.00 55.97 54.48 2dk3 s LYS 75 Cb -0.03 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 36.19 2dk3 s LYS 75 CO 0.25 -0.61 1.32 -0.51 0.10 0.00 0.00 175.35 175.90 2dk3 s LEU 76 N -2.84 3.90 0.66 2.77 1.43 -1.26 -0.03 118.68 123.31 2dk3 s LEU 76 Ca 0.09 2.68 -0.13 0.00 -1.03 0.00 0.00 54.13 55.74 2dk3 s LEU 76 Cb -0.03 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 41.94 2dk3 s LEU 76 CO -0.00 -1.41 1.07 0.00 0.23 0.00 0.00 176.35 176.24 2dk3 s ALA 77 N -1.34 2.62 -0.97 4.21 0.00 -1.07 -4.39 121.76 120.82 2dk3 s ALA 77 Ca 0.69 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 2dk3 s ALA 77 Cb -0.38 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 2dk3 s ALA 77 CO 0.46 -1.12 1.94 -1.25 0.00 0.00 0.00 175.76 175.79 2dk3 s PRO 78 N -4.49 2.54 0.00 0.00 0.04 -1.26 -2.71 135.00 129.12 2dk3 s PRO 78 Ca 0.62 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.17 2dk3 s PRO 78 Cb -0.16 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2dk3 s PRO 78 CO 0.46 -3.52 0.00 0.41 0.04 0.00 0.00 177.00 174.39 2dk3 n GLY 79 N 6.61 1.45 3.31 0.56 0.00 -1.26 -5.14 105.19 110.72 2dk3 n GLY 79 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 2dk3 n GLY 79 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2dk3 s TYR 80 N -2.00 2.06 0.01 1.61 6.14 -1.10 -5.14 117.35 118.93 2dk3 s TYR 80 Ca 0.00 -0.39 0.05 0.00 0.64 0.00 0.00 57.07 57.36 2dk3 s TYR 80 Cb 0.00 -1.20 -0.02 0.00 0.42 0.00 0.00 41.96 41.16 2dk3 s TYR 80 CO 0.00 0.15 -0.15 -1.12 0.64 0.00 0.00 175.55 175.08 2dk3 s SER 81 N -1.41 1.72 0.67 4.32 0.01 -1.26 -4.89 113.70 112.86 2dk3 s SER 81 Ca 0.10 -0.36 -0.15 0.00 1.31 0.00 0.00 55.95 56.85 2dk3 s SER 81 Cb -0.10 -0.15 -0.13 0.00 0.21 0.00 0.00 66.02 65.85 2dk3 s SER 81 CO 0.03 0.11 -0.44 0.61 0.41 0.00 0.00 173.24 173.97 2dk3 n GLY 82 N 2.32 -3.43 3.70 3.44 0.00 -1.26 -4.79 105.19 105.16 2dk3 n GLY 82 Ca -0.16 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2dk3 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk3 s PRO 83 N -1.33 4.29 -0.54 1.61 0.04 -1.26 -4.98 135.00 132.84 2dk3 s PRO 83 Ca 0.40 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 2dk3 s PRO 83 Cb -0.27 -3.47 0.04 0.00 0.04 0.00 0.00 34.50 30.84 2dk3 s PRO 83 CO 0.64 -0.54 0.91 0.45 0.04 0.00 0.00 177.00 178.50 2dk3 s SER 84 N 1.67 6.35 0.62 6.66 0.15 -1.26 -5.03 113.70 122.85 2dk3 s SER 84 Ca 0.65 -0.35 -0.14 0.00 0.70 0.00 0.00 55.95 56.81 2dk3 s SER 84 Cb -0.34 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.52 2dk3 s SER 84 CO 0.28 -1.18 1.05 -0.55 1.20 0.00 0.00 173.24 174.04 2dk3 s SER 85 N 2.76 5.80 0.00 5.45 0.15 -1.26 -5.31 113.70 121.29 2dk3 s SER 85 Ca 0.30 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.64 2dk3 s SER 85 Cb -0.13 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2dk3 s SER 85 CO 0.19 -1.15 0.15 0.61 1.20 0.00 0.00 173.24 174.24