#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk3 n SER 2 N 0.00 1.70 -2.28 1.61 7.64 -1.26 -4.68 113.62 116.35 2dk3 n SER 2 Ca 0.00 0.12 -0.30 0.00 1.01 0.00 0.00 58.87 59.70 2dk3 n SER 2 Cb 0.00 -0.43 0.04 0.00 -1.01 0.00 0.00 64.21 62.81 2dk3 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk3 n SER 3 N -3.52 6.11 -3.53 6.43 2.88 -1.26 -4.92 113.62 115.81 2dk3 n SER 3 Ca -0.32 -3.77 -0.23 0.00 -1.33 0.00 0.00 58.87 53.22 2dk3 n SER 3 Cb 0.76 -0.65 0.05 0.00 -0.75 0.00 0.00 64.21 63.63 2dk3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk3 n GLY 4 N -0.73 -0.85 3.68 0.46 0.00 -1.26 -4.85 105.19 101.64 2dk3 n GLY 4 Ca 0.51 0.41 -0.44 0.00 0.00 0.00 0.00 46.02 46.49 2dk3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk3 n SER 5 N -2.98 3.69 -4.78 1.61 7.64 -1.26 -4.95 113.62 112.59 2dk3 n SER 5 Ca -0.14 1.01 -0.34 0.00 1.01 0.00 0.00 58.87 60.40 2dk3 n SER 5 Cb 0.63 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2dk3 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk3 s SER 6 N 2.50 5.77 -0.97 6.43 1.04 -1.26 -4.99 113.70 122.22 2dk3 s SER 6 Ca 0.83 2.03 -0.03 0.00 0.48 0.00 0.00 55.95 59.26 2dk3 s SER 6 Cb -0.57 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.25 2dk3 s SER 6 CO 0.40 -1.18 1.05 0.61 0.98 0.00 0.00 173.24 175.11 2dk3 n GLY 7 N -0.23 4.52 0.14 7.32 0.00 -1.26 -4.82 105.19 110.85 2dk3 n GLY 7 Ca 0.10 -2.64 -0.05 0.00 0.00 0.00 0.00 46.02 43.44 2dk3 n GLY 7 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dk3 h VAL 8 N 3.67 1.47 0.00 1.61 3.04 -2.01 -3.36 116.25 120.66 2dk3 h VAL 8 Ca 0.18 -2.34 0.00 0.00 -1.01 0.00 0.00 66.70 63.53 2dk3 h VAL 8 Cb 0.75 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 2dk3 h VAL 8 CO 1.03 0.68 -1.00 -2.11 -1.01 0.00 0.00 177.57 175.16 2dk3 n ARG 9 N -3.74 0.00 -1.98 4.17 1.85 -1.26 -4.80 116.66 110.89 2dk3 n ARG 9 Ca -0.02 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.43 2dk3 n ARG 9 Cb 0.70 -0.93 -0.00 0.00 -1.05 0.00 0.00 32.46 31.18 2dk3 n ARG 9 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2dk3 n SER 10 N -2.57 7.95 -0.05 2.89 3.41 -1.26 -4.47 113.62 119.52 2dk3 n SER 10 Ca 0.00 -3.12 -0.16 0.00 -0.26 0.00 0.00 58.87 55.33 2dk3 n SER 10 Cb 0.50 -1.37 -0.14 0.00 -0.26 0.00 0.00 64.21 62.94 2dk3 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dk3 n GLN 11 N 1.89 0.69 0.02 4.33 10.64 -1.26 -4.28 117.38 129.41 2dk3 n GLN 11 Ca 0.62 0.19 -0.05 0.00 -1.83 0.00 0.00 57.00 55.93 2dk3 n GLN 11 Cb 0.25 -1.64 0.15 0.00 -0.86 0.00 0.00 30.24 28.14 2dk3 n GLN 11 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 2dk3 h VAL 12 N 0.03 1.30 -0.45 -0.39 3.04 -1.93 -2.83 116.25 115.01 2dk3 h VAL 12 Ca -0.46 -1.51 0.13 0.00 -1.01 0.00 0.00 66.70 63.85 2dk3 h VAL 12 Cb 2.03 1.56 -0.02 0.00 -2.01 0.00 0.00 31.29 32.85 2dk3 h VAL 12 CO 0.03 0.47 0.47 -0.07 -1.01 0.00 0.00 177.57 177.46 2dk3 h LEU 13 N 0.39 0.00 -1.15 3.16 3.38 -1.90 0.56 115.31 119.74 2dk3 h LEU 13 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2dk3 h LEU 13 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2dk3 h LEU 13 CO 0.07 0.00 -0.36 0.11 0.09 0.00 0.00 178.44 178.35 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -1.72 -2.83 116.57 114.73 2dk3 h LYS 14 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2dk3 h LYS 14 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2dk3 h LYS 14 CO -0.00 0.36 -1.12 0.66 -0.57 0.00 0.00 179.45 178.77 2dk3 n TYR 15 N -3.71 0.11 -1.21 -1.35 4.02 0.18 -4.72 117.16 110.48 2dk3 n TYR 15 Ca -0.01 0.03 -0.39 0.00 -0.01 0.00 0.00 57.90 57.53 2dk3 n TYR 15 Cb 0.45 -0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.80 1.06 -4.29 -0.72 2.81 -0.51 -4.86 117.12 108.81 2dk3 n MET 16 Ca 0.02 -1.76 -0.27 0.00 -1.81 0.00 0.00 57.70 53.88 2dk3 n MET 16 Cb 0.41 -3.06 -0.09 0.00 -0.71 0.00 0.00 33.22 29.77 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 7.62 3.18 -0.72 2.03 -7.23 -1.26 -3.73 120.40 120.28 2dk3 s VAL 17 Ca 0.64 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 2dk3 s VAL 17 Cb 0.10 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2dk3 s VAL 17 CO 0.18 -0.10 1.89 -2.16 -0.31 0.00 0.00 175.10 174.60 2dk3 s PRO 18 N -2.80 2.60 0.00 4.82 0.04 -1.26 -2.47 135.00 135.93 2dk3 s PRO 18 Ca 0.25 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2dk3 s PRO 18 Cb -0.09 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.81 2dk3 s PRO 18 CO 0.15 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.63 2dk3 n GLY 19 N 6.13 -0.39 3.42 0.56 0.00 0.29 -4.82 105.19 110.38 2dk3 n GLY 19 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2dk3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 n ALA 20 N 0.00 0.77 -2.79 4.61 0.00 -1.03 -4.89 120.51 117.17 2dk3 n ALA 20 Ca 0.00 -1.80 -0.35 0.00 0.00 0.00 0.00 53.44 51.29 2dk3 n ALA 20 Cb 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 2dk3 n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dk3 s ARG 21 N -4.47 3.47 0.12 0.00 1.81 -1.26 -1.94 118.95 116.68 2dk3 s ARG 21 Ca 0.55 -0.33 -0.09 0.00 -1.72 0.00 0.00 55.73 54.14 2dk3 s ARG 21 Cb -0.04 -3.04 -0.00 0.00 -0.45 0.00 0.00 34.95 31.42 2dk3 s ARG 21 CO 0.36 0.55 0.24 0.14 -0.68 0.00 0.00 175.30 175.91 2dk3 s VAL 22 N -0.43 0.11 0.14 3.52 -7.23 -1.20 -2.91 120.40 112.40 2dk3 s VAL 22 Ca 0.09 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2dk3 s VAL 22 Cb -0.12 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 2dk3 s VAL 22 CO 0.02 -0.48 0.24 0.27 -0.31 0.00 0.00 175.10 174.84 2dk3 s ILE 23 N -3.90 0.09 0.20 -0.62 -4.36 0.94 -0.74 121.20 112.81 2dk3 s ILE 23 Ca 0.10 -1.39 -0.32 0.00 -0.26 0.00 0.00 60.65 58.78 2dk3 s ILE 23 Cb 0.04 -1.75 -0.15 0.00 1.25 0.00 0.00 42.46 41.85 2dk3 s ILE 23 CO -0.06 -0.40 1.21 -2.11 0.24 0.00 0.00 174.94 173.82 2dk3 n ARG 24 N -0.17 1.41 0.00 0.37 1.85 -1.26 -1.41 116.66 117.45 2dk3 n ARG 24 Ca -0.09 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 2dk3 n ARG 24 Cb 0.63 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 2dk3 n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dk3 n GLY 25 N 1.95 1.58 0.01 2.89 0.00 0.15 -4.71 105.19 107.06 2dk3 n GLY 25 Ca 0.13 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.63 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dk3 n LEU 26 N 0.00 0.22 -2.19 0.99 4.77 -1.25 -4.29 117.00 115.25 2dk3 n LEU 26 Ca 0.00 -0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.61 2dk3 n LEU 26 Cb 0.00 -0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 2dk3 n LEU 26 CO 0.00 0.05 1.31 0.47 -1.33 0.00 0.00 177.39 177.89 2dk3 n ASP 27 N -2.10 5.32 -4.10 -1.43 8.00 -1.18 -4.82 116.55 116.24 2dk3 n ASP 27 Ca -0.02 -3.57 -0.43 0.00 0.71 0.00 0.00 54.79 51.48 2dk3 n ASP 27 Cb 0.52 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2dk3 n ASP 27 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2dk3 n TRP 28 N -0.90 3.93 1.97 1.24 -0.00 -1.26 -4.61 117.44 117.81 2dk3 n TRP 28 Ca 0.56 -2.96 0.12 0.00 -0.00 0.00 0.00 57.50 55.22 2dk3 n TRP 28 Cb 1.19 -2.38 0.69 0.00 -0.00 0.00 0.00 31.31 30.81 2dk3 n TRP 28 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 2dk3 n LYS 29 N 6.11 1.03 -3.11 5.87 -0.00 -1.26 -4.83 118.16 121.97 2dk3 n LYS 29 Ca 0.46 -0.04 -0.19 0.00 -0.00 0.00 0.00 58.31 58.53 2dk3 n LYS 29 Cb 0.41 -1.37 0.01 0.00 -0.00 0.00 0.00 35.03 34.07 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2dk3 s TRP 30 N -1.99 2.99 0.77 5.58 0.52 -1.26 -5.11 118.94 120.44 2dk3 s TRP 30 Ca 0.36 -0.17 -0.13 0.00 0.02 0.00 0.00 56.10 56.18 2dk3 s TRP 30 Cb 0.16 -2.29 0.19 0.00 -1.15 0.00 0.00 33.47 30.37 2dk3 s TRP 30 CO 0.27 -0.34 0.85 0.54 0.02 0.00 0.00 176.95 178.29 2dk3 n ARG 31 N -1.90 -1.70 -2.07 4.98 1.74 -1.26 -4.88 116.66 111.57 2dk3 n ARG 31 Ca 0.04 -1.33 -0.40 0.00 -0.77 0.00 0.00 57.85 55.39 2dk3 n ARG 31 Cb 0.59 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.95 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2dk3 n ASP 32 N -3.95 3.95 0.02 0.55 5.68 -1.26 -4.73 116.55 116.81 2dk3 n ASP 32 Ca 0.11 -2.82 -0.13 0.00 -0.50 0.00 0.00 54.79 51.45 2dk3 n ASP 32 Cb 0.41 -1.64 -0.09 0.00 -1.14 0.00 0.00 41.12 38.66 2dk3 n ASP 32 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2dk3 h GLN 33 N 7.69 -0.05 -0.24 0.11 4.20 -2.03 -3.30 115.11 121.49 2dk3 h GLN 33 Ca 0.43 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.17 2dk3 h GLN 33 Cb 0.80 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.54 2dk3 h GLN 33 CO 1.58 0.30 -0.40 0.22 -0.67 0.00 0.00 178.83 179.87 2dk3 h ASP 34 N -0.40 -1.32 0.00 1.46 3.58 -1.95 -3.38 116.42 114.42 2dk3 h ASP 34 Ca -0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2dk3 h ASP 34 Cb 0.37 0.53 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2dk3 h ASP 34 CO 0.01 -0.31 0.00 0.61 -2.88 0.00 0.00 179.24 176.67 2dk3 n GLY 35 N -1.28 4.09 3.83 -0.78 0.00 -1.24 -0.08 105.19 109.73 2dk3 n GLY 35 Ca -0.03 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 6.95 0.59 1.61 0.15 -1.26 -3.49 113.70 118.25 2dk3 s SER 36 Ca 0.00 1.26 -0.18 0.00 0.70 0.00 0.00 55.95 57.73 2dk3 s SER 36 Cb 0.00 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2dk3 s SER 36 CO 0.00 0.08 1.12 -2.16 1.20 0.00 0.00 173.24 173.48 2dk3 s PRO 37 N -1.91 3.13 -0.40 5.44 0.04 -1.26 -5.03 135.00 135.01 2dk3 s PRO 37 Ca 0.40 1.52 -0.44 0.00 0.04 0.00 0.00 61.00 62.52 2dk3 s PRO 37 Cb -0.16 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 2dk3 s PRO 37 CO 0.20 -1.01 1.69 1.04 0.04 0.00 0.00 177.00 178.96 2dk3 n GLN 38 N -1.76 0.55 0.00 4.56 1.13 -1.23 -4.91 117.38 115.73 2dk3 n GLN 38 Ca 0.11 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 2dk3 n GLN 38 Cb 0.51 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dk3 n GLY 39 N 4.22 2.73 3.13 1.08 0.00 -1.25 -5.10 105.19 110.01 2dk3 n GLY 39 Ca 0.30 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 4.30 0.72 0.00 1.61 2.02 -1.26 -4.84 118.70 121.24 2dk3 s GLU 40 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2dk3 s GLU 40 Cb 0.00 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.63 2dk3 s GLU 40 CO 0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2dk3 n GLY 41 N 1.25 6.16 3.51 -1.39 0.00 0.08 -4.52 105.19 110.28 2dk3 n GLY 41 Ca -0.21 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 1.32 -0.93 0.44 2.61 2.01 -1.26 -3.26 115.64 116.57 2dk3 s THR 42 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 2dk3 s THR 42 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 2dk3 s THR 42 CO 0.00 0.00 1.38 0.52 -0.69 0.00 0.00 174.62 175.83 2dk3 n VAL 43 N 5.40 2.68 0.00 3.82 0.31 -0.82 -1.72 118.33 128.00 2dk3 n VAL 43 Ca -0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 2dk3 n VAL 43 Cb 0.50 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 -0.19 0.00 -4.22 2.52 5.66 0.15 0.10 114.28 118.31 2dk3 n THR 44 Ca 0.06 -0.27 -0.18 0.00 -3.05 0.00 0.00 64.05 60.60 2dk3 n THR 44 Cb 0.41 0.88 -0.11 0.00 -1.55 0.00 0.00 70.33 69.95 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 -0.78 1.01 0.01 1.09 0.00 -0.68 -4.61 107.32 103.37 2dk3 s GLY 45 Ca 0.00 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.25 2dk3 s GLY 45 CO 0.00 -1.23 0.89 -0.54 0.00 0.00 0.00 173.10 172.21 2dk3 s GLU 46 N -2.31 4.55 -0.69 2.90 2.02 -1.26 -3.79 118.70 120.11 2dk3 s GLU 46 Ca 0.05 1.26 -0.27 0.00 0.02 0.00 0.00 54.97 56.03 2dk3 s GLU 46 Cb -0.07 -3.43 -0.13 0.00 0.10 0.00 0.00 34.13 30.60 2dk3 s GLU 46 CO 0.03 0.07 2.51 -0.11 0.02 0.00 0.00 175.26 177.78 2dk3 n LEU 47 N 3.50 1.50 -4.48 1.80 7.94 -1.24 -4.60 117.00 121.41 2dk3 n LEU 47 Ca 0.03 -0.32 -0.38 0.00 -1.11 0.00 0.00 56.01 54.23 2dk3 n LEU 47 Cb 0.51 -1.33 -0.12 0.00 0.53 0.00 0.00 43.42 43.01 2dk3 n LEU 47 CO 0.50 -1.33 -0.20 -1.38 -1.11 0.00 0.00 177.39 173.87 2dk3 s HIS 48 N 10.96 3.17 -1.62 1.96 -3.43 0.31 -4.40 115.29 122.24 2dk3 s HIS 48 Ca 1.12 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.04 2dk3 s HIS 48 Cb -0.57 -2.35 0.00 0.00 -1.43 0.00 0.00 32.58 28.23 2dk3 s HIS 48 CO 0.34 -0.36 0.00 0.09 -2.00 0.00 0.00 174.74 172.81 2dk3 n ASN 49 N 5.00 -5.34 0.00 7.38 4.13 -1.26 -1.38 115.26 123.80 2dk3 n ASN 49 Ca -0.14 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2dk3 n ASN 49 Cb 0.50 -4.48 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 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 -0.91 0.76 2.64 7.41 0.00 -1.26 -4.32 105.19 109.50 2dk3 n GLY 50 Ca -0.22 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 0.10 0.01 1.61 0.52 -0.48 -2.50 118.94 116.20 2dk3 s TRP 51 Ca 0.00 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.00 2dk3 s TRP 51 Cb 0.00 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.67 2dk3 s TRP 51 CO 0.00 -0.52 -0.22 -1.50 0.02 0.00 0.00 176.95 174.73 2dk3 s ILE 52 N 2.18 2.44 0.14 2.03 -1.16 -1.21 -0.53 121.20 125.08 2dk3 s ILE 52 Ca 0.03 -1.13 -0.03 0.00 -0.51 0.00 0.00 60.65 59.01 2dk3 s ILE 52 Cb -0.16 -1.94 -0.05 0.00 0.61 0.00 0.00 42.46 40.92 2dk3 s ILE 52 CO -0.09 0.47 0.35 -1.81 -2.81 0.00 0.00 174.94 171.05 2dk3 s ASP 53 N -0.99 6.45 -0.10 4.50 1.11 -1.25 -2.07 116.67 124.33 2dk3 s ASP 53 Ca 0.12 0.51 -0.04 0.00 0.18 0.00 0.00 52.55 53.32 2dk3 s ASP 53 Cb -0.10 -2.06 0.05 0.00 1.07 0.00 0.00 42.92 41.88 2dk3 s ASP 53 CO 0.02 0.05 0.19 0.54 1.18 0.00 0.00 175.17 177.15 2dk3 s VAL 54 N -1.68 -0.29 -0.78 -1.27 0.11 -1.12 -0.67 120.40 114.69 2dk3 s VAL 54 Ca 0.40 0.32 -0.19 0.00 -2.93 0.00 0.00 61.98 59.57 2dk3 s VAL 54 Cb -0.12 -0.34 0.12 0.00 -1.53 0.00 0.00 36.38 34.50 2dk3 s VAL 54 CO 0.26 0.13 0.98 -0.89 -3.33 0.00 0.00 175.10 172.25 2dk3 s THR 55 N 2.25 4.70 0.38 5.04 2.01 -0.70 -3.30 115.64 126.02 2dk3 s THR 55 Ca 0.02 -1.20 -0.28 0.00 0.31 0.00 0.00 61.69 60.54 2dk3 s THR 55 Cb -0.12 -4.68 -0.11 0.00 0.01 0.00 0.00 72.50 67.61 2dk3 s THR 55 CO -0.07 -1.39 1.48 0.26 -0.69 0.00 0.00 174.62 174.21 2dk3 s TRP 56 N 2.89 2.59 0.25 4.92 0.52 0.35 -4.19 118.94 126.27 2dk3 s TRP 56 Ca 0.25 1.18 0.05 0.00 0.02 0.00 0.00 56.10 57.60 2dk3 s TRP 56 Cb -0.12 -4.01 0.31 0.00 -1.15 0.00 0.00 33.47 28.50 2dk3 s TRP 56 CO -0.01 -2.96 1.60 0.22 0.02 0.00 0.00 176.95 175.82 2dk3 h ASP 57 N 2.96 0.25 0.27 2.95 1.82 -1.85 -3.24 116.42 119.57 2dk3 h ASP 57 Ca -0.51 -0.13 -0.34 0.00 -0.39 0.00 0.00 57.03 55.66 2dk3 h ASP 57 Cb 1.24 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 2dk3 h ASP 57 CO 0.64 0.76 -1.76 0.00 -1.61 0.00 0.00 179.24 177.27 2dk3 h ALA 58 N 1.25 0.31 -3.00 -0.78 0.00 -1.88 -3.48 119.26 111.68 2dk3 h ALA 58 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 2dk3 h ALA 58 Cb 1.03 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2dk3 h ALA 58 CO 0.09 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.92 2dk3 n GLY 59 N 1.82 2.26 0.00 0.00 0.00 0.89 -4.85 105.19 105.31 2dk3 n GLY 59 Ca -0.24 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 5.00 3.29 3.09 -0.02 0.00 -1.26 -4.60 105.19 110.70 2dk3 n GLY 60 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2dk3 n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk3 s SER 61 N 0.71 1.00 -0.07 1.61 0.15 -1.26 0.13 113.70 115.97 2dk3 s SER 61 Ca 0.00 -0.64 -0.31 0.00 0.70 0.00 0.00 55.95 55.70 2dk3 s SER 61 Cb 0.00 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 64.46 2dk3 s SER 61 CO 0.00 -0.24 0.99 0.21 1.20 0.00 0.00 173.24 175.40 2dk3 s ASN 62 N -1.87 -0.30 -0.08 5.45 3.04 -1.21 -4.97 114.94 115.00 2dk3 s ASN 62 Ca -0.05 0.04 -0.22 0.00 0.04 0.00 0.00 52.86 52.67 2dk3 s ASN 62 Cb -0.07 0.31 -0.04 0.00 -1.54 0.00 0.00 41.25 39.91 2dk3 s ASN 62 CO -0.00 -0.49 0.64 -0.94 -3.04 0.00 0.00 177.10 173.26 2dk3 s SER 63 N -2.27 6.91 0.05 -4.21 1.04 -1.26 -2.81 113.70 111.15 2dk3 s SER 63 Ca 0.06 1.09 0.09 0.00 0.48 0.00 0.00 55.95 57.66 2dk3 s SER 63 Cb -0.01 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2dk3 s SER 63 CO -0.07 -0.08 -0.25 -0.31 0.98 0.00 0.00 173.24 173.52 2dk3 s TYR 64 N 0.71 2.37 0.01 5.02 1.51 -0.88 -4.97 117.35 121.12 2dk3 s TYR 64 Ca 0.34 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 2dk3 s TYR 64 Cb -0.17 -1.40 -0.06 0.00 -0.11 0.00 0.00 41.96 40.22 2dk3 s TYR 64 CO 0.16 0.17 1.53 1.03 -1.11 0.00 0.00 175.55 177.32 2dk3 s ARG 65 N -1.34 4.23 -0.12 -0.62 0.52 -1.26 -3.32 118.95 117.05 2dk3 s ARG 65 Ca 0.12 2.12 0.20 0.00 -0.52 0.00 0.00 55.73 57.65 2dk3 s ARG 65 Cb -0.10 -3.67 0.44 0.00 0.52 0.00 0.00 34.95 32.14 2dk3 s ARG 65 CO 0.03 -0.68 1.18 -1.33 0.02 0.00 0.00 175.30 174.51 2dk3 n MET 66 N 5.83 0.96 0.00 3.54 2.81 -1.04 -0.21 117.12 129.01 2dk3 n MET 66 Ca 0.15 -2.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.30 2dk3 n MET 66 Cb 0.42 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 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 -0.21 1.23 0.37 3.03 0.00 -1.13 -4.85 105.19 103.63 2dk3 n GLY 67 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 2dk3 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 n ALA 68 N 0.00 -0.38 -1.35 4.61 0.00 -1.17 -0.46 120.51 121.75 2dk3 n ALA 68 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 53.44 54.24 2dk3 n ALA 68 Cb 0.00 -0.24 0.21 0.00 0.00 0.00 0.00 19.45 19.42 2dk3 n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dk3 n GLU 69 N -5.21 2.05 -2.67 0.00 1.02 -1.26 -4.93 120.64 109.64 2dk3 n GLU 69 Ca 0.05 -3.11 -0.15 0.00 -0.02 0.00 0.00 57.16 53.93 2dk3 n GLU 69 Cb 0.29 -1.83 0.02 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.02 -0.14 2.91 0.62 0.00 0.39 -5.01 105.19 102.95 2dk3 n GLY 70 Ca 0.32 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.19 1.46 -0.58 1.61 -0.14 -1.26 -4.92 119.74 110.72 2dk3 s LYS 71 Ca 0.16 -0.25 -0.18 0.00 -1.36 0.00 0.00 55.97 54.35 2dk3 s LYS 71 Cb -0.07 -1.49 0.12 0.00 -1.68 0.00 0.00 37.83 34.70 2dk3 s LYS 71 CO 0.20 -0.22 0.63 -0.06 -0.76 0.00 0.00 175.35 175.14 2dk3 s PHE 72 N 1.56 3.13 -0.01 3.18 0.08 -1.26 -2.76 117.98 121.90 2dk3 s PHE 72 Ca 0.02 -1.14 0.11 0.00 0.12 0.00 0.00 56.93 56.04 2dk3 s PHE 72 Cb -0.13 -3.93 -0.17 0.00 -0.57 0.00 0.00 43.02 38.23 2dk3 s PHE 72 CO -0.06 -1.18 1.03 -0.44 -0.10 0.00 0.00 175.22 174.47 2dk3 h ASP 73 N 9.01 0.00 -1.96 1.36 5.19 -0.84 -3.11 116.42 126.06 2dk3 h ASP 73 Ca -0.28 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.59 2dk3 h ASP 73 Cb 1.09 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.52 2dk3 h ASP 73 CO 1.06 0.86 -0.55 -0.76 -3.12 0.00 0.00 179.24 176.74 2dk3 s LEU 74 N -6.33 3.30 0.22 1.55 1.43 -1.26 0.34 118.68 117.93 2dk3 s LEU 74 Ca -0.01 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.16 2dk3 s LEU 74 Cb 0.09 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2dk3 s LEU 74 CO 0.81 -0.23 0.71 -1.59 0.23 0.00 0.00 176.35 176.28 2dk3 s LYS 75 N -3.82 1.54 0.53 1.70 -2.85 -0.50 -4.61 119.74 111.72 2dk3 s LYS 75 Ca 0.36 -0.77 -0.21 0.00 -1.00 0.00 0.00 55.97 54.35 2dk3 s LYS 75 Cb -0.04 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2dk3 s LYS 75 CO 0.22 -0.70 1.28 -0.51 0.10 0.00 0.00 175.35 175.75 2dk3 s LEU 76 N -2.85 3.85 0.66 2.77 1.43 -1.26 -0.04 118.68 123.24 2dk3 s LEU 76 Ca 0.08 2.58 -0.14 0.00 -1.03 0.00 0.00 54.13 55.62 2dk3 s LEU 76 Cb -0.04 -4.33 -0.00 0.00 0.03 0.00 0.00 46.19 41.85 2dk3 s LEU 76 CO -0.00 -1.42 1.09 0.00 0.23 0.00 0.00 176.35 176.25 2dk3 s ALA 77 N -1.41 2.54 -0.97 4.21 0.00 -1.15 -4.45 121.76 120.53 2dk3 s ALA 77 Ca 0.71 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 2dk3 s ALA 77 Cb -0.36 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 2dk3 s ALA 77 CO 0.42 -1.19 1.94 -1.25 0.00 0.00 0.00 175.76 175.68 2dk3 s PRO 78 N -4.25 2.54 0.00 0.00 0.04 -1.26 -2.66 135.00 129.42 2dk3 s PRO 78 Ca 0.65 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2dk3 s PRO 78 Cb -0.18 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.25 2dk3 s PRO 78 CO 0.43 -3.52 0.00 0.41 0.04 0.00 0.00 177.00 174.36 2dk3 n GLY 79 N 6.61 1.59 3.37 0.56 0.00 -1.26 -5.14 105.19 110.92 2dk3 n GLY 79 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 2.31 -0.01 1.61 6.14 -1.09 -5.14 117.35 119.17 2dk3 s TYR 80 Ca 0.00 -0.39 0.03 0.00 0.64 0.00 0.00 57.07 57.35 2dk3 s TYR 80 Cb 0.00 -1.30 -0.01 0.00 0.42 0.00 0.00 41.96 41.07 2dk3 s TYR 80 CO 0.00 0.26 -0.11 -1.12 0.64 0.00 0.00 175.55 175.22 2dk3 s SER 81 N -1.75 1.31 0.96 4.32 0.01 -1.26 -4.90 113.70 112.40 2dk3 s SER 81 Ca 0.13 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.02 2dk3 s SER 81 Cb -0.10 -0.17 -0.13 0.00 0.21 0.00 0.00 66.02 65.83 2dk3 s SER 81 CO 0.04 0.13 -0.65 0.61 0.41 0.00 0.00 173.24 173.78 2dk3 n GLY 82 N 2.86 -4.34 3.69 3.44 0.00 -1.26 -4.92 105.19 104.65 2dk3 n GLY 82 Ca -0.14 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.08 0.66 -0.54 1.61 0.04 -1.26 -4.97 135.00 128.45 2dk3 s PRO 83 Ca 0.43 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.83 2dk3 s PRO 83 Cb -0.20 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.62 2dk3 s PRO 83 CO 0.80 -2.60 0.93 -1.54 0.04 0.00 0.00 177.00 174.64 2dk3 s SER 84 N -3.45 6.35 -0.38 6.66 1.04 -1.26 -5.00 113.70 117.66 2dk3 s SER 84 Ca 0.65 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 2dk3 s SER 84 Cb -0.18 -2.43 0.09 0.00 0.10 0.00 0.00 66.02 63.59 2dk3 s SER 84 CO 0.57 -1.21 0.15 -0.44 0.98 0.00 0.00 173.24 173.30 2dk3 s SER 85 N 2.80 5.20 0.00 7.02 0.01 -1.26 -5.35 113.70 122.11 2dk3 s SER 85 Ca 0.31 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2dk3 s SER 85 Cb -0.12 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2dk3 s SER 85 CO 0.20 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.99