#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 5.53 -1.06 1.61 0.01 -1.26 -4.55 113.70 113.97 2dk3 s SER 2 Ca 0.00 -1.34 -0.05 0.00 1.31 0.00 0.00 55.95 55.88 2dk3 s SER 2 Cb 0.00 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.29 2dk3 s SER 2 CO 0.00 -0.45 0.91 -0.24 0.41 0.00 0.00 173.24 173.88 2dk3 n SER 3 N 4.88 -4.24 -4.78 2.44 2.88 -1.26 -4.98 113.62 108.56 2dk3 n SER 3 Ca -0.11 -0.47 -0.38 0.00 -1.33 0.00 0.00 58.87 56.59 2dk3 n SER 3 Cb 0.44 -4.25 -0.06 0.00 -0.75 0.00 0.00 64.21 59.59 2dk3 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk3 s GLY 4 N -3.59 2.84 0.55 0.46 0.00 -1.26 -5.04 107.32 101.28 2dk3 s GLY 4 Ca 0.30 0.49 -0.17 0.00 0.00 0.00 0.00 44.72 45.34 2dk3 s GLY 4 CO 0.60 0.95 1.04 -1.35 0.00 0.00 0.00 173.10 174.34 2dk3 s SER 5 N -1.52 6.08 0.10 1.64 1.04 -1.26 -5.07 113.70 114.72 2dk3 s SER 5 Ca 0.47 1.81 0.10 0.00 0.48 0.00 0.00 55.95 58.81 2dk3 s SER 5 Cb -0.20 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2dk3 s SER 5 CO 0.25 -0.96 -0.25 -0.55 0.98 0.00 0.00 173.24 172.71 2dk3 s SER 6 N -2.59 3.39 -0.20 7.02 0.15 -1.26 -4.94 113.70 115.27 2dk3 s SER 6 Ca 0.64 -0.67 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 2dk3 s SER 6 Cb -0.15 -0.30 0.03 0.00 -1.71 0.00 0.00 66.02 63.89 2dk3 s SER 6 CO 0.31 0.20 0.17 0.61 1.20 0.00 0.00 173.24 175.73 2dk3 n GLY 7 N 1.13 -4.84 0.00 9.45 0.00 -1.26 -4.83 105.19 104.84 2dk3 n GLY 7 Ca -0.17 1.28 0.04 0.00 0.00 0.00 0.00 46.02 47.16 2dk3 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dk3 n VAL 8 N 1.28 0.00 -1.58 1.61 3.14 -1.26 -3.13 118.33 118.40 2dk3 n VAL 8 Ca -0.28 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.16 2dk3 n VAL 8 Cb 0.43 -0.12 0.19 0.00 -1.06 0.00 0.00 33.84 33.28 2dk3 n VAL 8 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2dk3 n ARG 9 N -0.62 1.45 -1.32 1.45 1.85 -1.26 -4.76 116.66 113.45 2dk3 n ARG 9 Ca 0.06 -3.12 -0.34 0.00 -1.00 0.00 0.00 57.85 53.45 2dk3 n ARG 9 Cb 0.03 -1.51 0.08 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.07 7.54 -0.06 2.89 3.41 -1.18 -4.55 113.62 120.59 2dk3 n SER 10 Ca 0.18 -3.78 -0.10 0.00 -0.26 0.00 0.00 58.87 54.91 2dk3 n SER 10 Cb 0.71 -0.97 -0.09 0.00 -0.26 0.00 0.00 64.21 63.59 2dk3 n SER 10 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2dk3 h GLN 11 N 1.95 -0.00 -0.97 4.33 4.15 -1.89 -3.34 115.11 119.34 2dk3 h GLN 11 Ca 0.61 0.00 0.18 0.00 0.77 0.00 0.00 58.65 60.21 2dk3 h GLN 11 Cb 0.90 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.50 2dk3 h GLN 11 CO 1.57 0.70 0.61 -0.24 -1.93 0.00 0.00 178.83 179.54 2dk3 h VAL 12 N -1.00 0.74 -0.28 2.39 3.04 -2.01 0.28 116.25 119.42 2dk3 h VAL 12 Ca -0.00 -0.24 0.08 0.00 -1.01 0.00 0.00 66.70 65.53 2dk3 h VAL 12 Cb 0.70 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 2dk3 h VAL 12 CO 0.00 0.13 0.31 -0.07 -1.01 0.00 0.00 177.57 176.93 2dk3 h LEU 13 N 0.70 0.00 -1.23 3.16 3.38 -1.89 0.46 115.31 119.89 2dk3 h LEU 13 Ca 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 2dk3 h LEU 13 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2dk3 h LEU 13 CO -0.30 0.00 -0.08 0.11 0.09 0.00 0.00 178.44 178.26 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -0.57 -2.91 116.57 115.79 2dk3 h LYS 14 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2dk3 h LYS 14 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2dk3 h LYS 14 CO -0.00 0.08 -0.99 0.66 -0.57 0.00 0.00 179.45 178.63 2dk3 n TYR 15 N -3.20 0.00 -1.26 -1.35 4.02 0.15 -4.81 117.16 110.71 2dk3 n TYR 15 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 2dk3 n TYR 15 Cb 0.37 -0.09 -0.09 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.54 0.75 -4.33 -0.72 2.81 -0.36 -4.86 117.12 108.87 2dk3 n MET 16 Ca 0.02 -1.70 -0.26 0.00 -1.81 0.00 0.00 57.70 53.95 2dk3 n MET 16 Cb 0.29 -3.21 -0.10 0.00 -0.71 0.00 0.00 33.22 29.49 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 9.86 3.02 -0.64 2.03 -7.23 -1.26 -3.70 120.40 122.47 2dk3 s VAL 17 Ca 0.69 -1.81 -0.26 0.00 -1.81 0.00 0.00 61.98 58.78 2dk3 s VAL 17 Cb 0.07 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 2dk3 s VAL 17 CO 0.21 -0.16 1.87 -2.16 -0.31 0.00 0.00 175.10 174.54 2dk3 s PRO 18 N -2.95 2.62 0.00 4.82 0.04 -1.25 -2.51 135.00 135.77 2dk3 s PRO 18 Ca 0.25 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2dk3 s PRO 18 Cb -0.08 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2dk3 s PRO 18 CO 0.15 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.80 2dk3 n GLY 19 N 5.81 0.20 3.28 0.56 0.00 0.27 -4.82 105.19 110.49 2dk3 n GLY 19 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 0.89 -2.80 4.61 0.00 -1.04 -4.89 120.51 117.28 2dk3 n ALA 20 Ca 0.00 -1.74 -0.35 0.00 0.00 0.00 0.00 53.44 51.35 2dk3 n ALA 20 Cb 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.29 3.56 0.19 0.00 1.81 -1.26 -2.16 118.95 116.79 2dk3 s ARG 21 Ca 0.52 -0.35 -0.07 0.00 -1.72 0.00 0.00 55.73 54.11 2dk3 s ARG 21 Cb -0.04 -3.05 -0.02 0.00 -0.45 0.00 0.00 34.95 31.39 2dk3 s ARG 21 CO 0.33 0.48 0.27 0.14 -0.68 0.00 0.00 175.30 175.85 2dk3 s VAL 22 N -0.24 0.04 0.36 3.52 -7.23 -1.21 -2.64 120.40 113.00 2dk3 s VAL 22 Ca 0.07 -1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 2dk3 s VAL 22 Cb -0.12 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.77 2dk3 s VAL 22 CO 0.02 -0.19 0.56 0.27 -0.31 0.00 0.00 175.10 175.45 2dk3 s ILE 23 N -4.02 0.00 0.17 -0.62 -4.36 0.86 -1.84 121.20 111.38 2dk3 s ILE 23 Ca 0.23 -1.44 -0.32 0.00 -0.26 0.00 0.00 60.65 58.86 2dk3 s ILE 23 Cb 0.04 -2.73 -0.11 0.00 1.25 0.00 0.00 42.46 40.91 2dk3 s ILE 23 CO 0.04 0.00 1.65 -0.13 0.24 0.00 0.00 174.94 176.74 2dk3 s ARG 24 N -2.78 4.18 0.00 0.37 0.52 -1.26 -1.06 118.95 118.91 2dk3 s ARG 24 Ca 0.27 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 2dk3 s ARG 24 Cb -0.02 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2dk3 s ARG 24 CO 0.19 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.23 2dk3 n GLY 25 N 3.89 1.01 0.11 -3.53 0.00 -0.01 -4.73 105.19 101.93 2dk3 n GLY 25 Ca 0.15 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dk3 n LEU 26 N 0.00 1.71 -1.49 0.99 -0.00 -1.23 -4.41 117.00 112.57 2dk3 n LEU 26 Ca 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 56.01 55.86 2dk3 n LEU 26 Cb 0.00 -0.28 0.03 0.00 -0.00 0.00 0.00 43.42 43.18 2dk3 n LEU 26 CO 0.00 0.71 0.89 0.47 -0.00 0.00 0.00 177.39 179.46 2dk3 n ASP 27 N -2.97 4.45 -4.55 1.45 8.00 -0.98 -4.81 116.55 117.14 2dk3 n ASP 27 Ca -0.36 -2.57 -0.42 0.00 0.71 0.00 0.00 54.79 52.15 2dk3 n ASP 27 Cb 1.01 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.90 2.63 -0.21 1.24 -0.11 -1.26 -4.38 118.94 115.96 2dk3 s TRP 28 Ca 0.15 -0.98 0.00 0.00 1.22 0.00 0.00 56.10 56.49 2dk3 s TRP 28 Cb 0.13 -4.65 0.19 0.00 -1.50 0.00 0.00 33.47 27.63 2dk3 s TRP 28 CO 0.01 -1.87 1.74 1.63 -4.62 0.00 0.00 176.95 173.84 2dk3 n LYS 29 N 8.54 1.53 -4.33 5.86 5.02 -1.26 -4.86 118.16 128.66 2dk3 n LYS 29 Ca 0.33 -1.12 -0.17 0.00 -2.02 0.00 0.00 58.31 55.33 2dk3 n LYS 29 Cb 0.50 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2dk3 s TRP 30 N -1.27 1.57 0.00 2.13 0.52 -1.26 -5.11 118.94 115.51 2dk3 s TRP 30 Ca 0.22 -1.05 0.00 0.00 0.02 0.00 0.00 56.10 55.29 2dk3 s TRP 30 Cb 0.18 -0.93 0.00 0.00 -1.15 0.00 0.00 33.47 31.56 2dk3 s TRP 30 CO 0.01 -0.17 0.00 0.54 0.02 0.00 0.00 176.95 177.35 2dk3 n ARG 31 N -0.45 0.00 -3.58 4.98 5.12 -1.26 -4.95 116.66 116.51 2dk3 n ARG 31 Ca -0.03 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 2dk3 n ARG 31 Cb 0.65 -0.26 -0.11 0.00 -1.16 0.00 0.00 32.46 31.57 2dk3 n ARG 31 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2dk3 s ASP 32 N -2.76 2.85 0.08 0.55 1.47 -1.26 -4.94 116.67 112.65 2dk3 s ASP 32 Ca 0.00 -2.99 -0.05 0.00 1.18 0.00 0.00 52.55 50.69 2dk3 s ASP 32 Cb 0.00 -0.81 -0.25 0.00 -0.34 0.00 0.00 42.92 41.52 2dk3 s ASP 32 CO 0.00 -0.20 1.16 1.56 0.68 0.00 0.00 175.17 178.38 2dk3 h GLN 33 N 6.05 0.31 -1.77 2.11 1.08 -2.01 -3.32 115.11 117.57 2dk3 h GLN 33 Ca 0.15 -0.49 -0.74 0.00 -1.45 0.00 0.00 58.65 56.12 2dk3 h GLN 33 Cb 0.89 0.18 -0.29 0.00 -0.05 0.00 0.00 27.48 28.21 2dk3 h GLN 33 CO 0.45 1.21 0.89 -0.40 -0.95 0.00 0.00 178.83 180.03 2dk3 n ASP 34 N -3.58 7.35 -1.31 1.46 5.68 -1.26 -4.78 116.55 120.11 2dk3 n ASP 34 Ca -0.09 -3.82 0.17 0.00 -0.50 0.00 0.00 54.79 50.55 2dk3 n ASP 34 Cb 1.00 -1.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 2dk3 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dk3 n GLY 35 N -0.61 -1.92 3.29 6.12 0.00 -1.25 -4.29 105.19 106.53 2dk3 n GLY 35 Ca 0.55 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 2dk3 n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk3 s SER 36 N -6.57 2.53 0.93 1.61 0.01 -1.26 -4.03 113.70 106.92 2dk3 s SER 36 Ca 0.00 -0.73 -0.12 0.00 1.31 0.00 0.00 55.95 56.41 2dk3 s SER 36 Cb 0.00 -0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.24 2dk3 s SER 36 CO 0.00 0.02 1.09 -2.16 0.41 0.00 0.00 173.24 172.61 2dk3 s PRO 37 N -2.15 0.98 1.08 12.44 0.04 -1.26 -5.12 135.00 141.02 2dk3 s PRO 37 Ca 0.08 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.67 2dk3 s PRO 37 Cb -0.09 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.77 2dk3 s PRO 37 CO 0.05 -2.40 -0.02 1.04 0.04 0.00 0.00 177.00 175.70 2dk3 n GLN 38 N -3.98 -1.77 0.00 4.56 1.13 -1.26 -5.01 117.38 111.05 2dk3 n GLN 38 Ca 0.06 -0.51 0.00 0.00 -1.94 0.00 0.00 57.00 54.61 2dk3 n GLN 38 Cb 0.56 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.35 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 2.31 0.99 3.60 1.08 0.00 -1.26 -5.10 105.19 106.80 2dk3 n GLY 39 Ca 0.02 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 1.07 2.40 0.00 1.61 8.01 -1.26 -4.75 118.70 125.77 2dk3 s GLU 40 Ca 0.00 -0.85 0.00 0.00 0.01 0.00 0.00 54.97 54.13 2dk3 s GLU 40 Cb 0.00 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.39 2dk3 s GLU 40 CO 0.00 0.56 0.00 0.41 0.01 0.00 0.00 175.26 176.24 2dk3 n GLY 41 N 1.13 4.09 3.03 -1.39 0.00 -0.77 -4.42 105.19 106.86 2dk3 n GLY 41 Ca -0.14 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 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 0.81 -0.63 0.34 2.61 2.01 -1.23 -3.33 115.64 116.22 2dk3 s THR 42 Ca 0.00 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 2dk3 s THR 42 Cb 0.00 -0.77 -0.13 0.00 0.01 0.00 0.00 72.50 71.61 2dk3 s THR 42 CO 0.00 -0.06 0.95 0.52 -0.69 0.00 0.00 174.62 175.35 2dk3 n VAL 43 N 5.37 2.11 0.00 3.82 0.31 -0.92 -1.20 118.33 127.82 2dk3 n VAL 43 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2dk3 n VAL 43 Cb 0.50 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 -0.13 0.00 -4.20 2.52 5.66 0.12 0.95 114.28 119.20 2dk3 n THR 44 Ca 0.10 -0.30 -0.14 0.00 -3.05 0.00 0.00 64.05 60.66 2dk3 n THR 44 Cb 0.35 0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 69.96 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 -0.71 0.92 0.05 1.09 0.00 -0.30 -4.66 107.32 103.72 2dk3 s GLY 45 Ca 0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 44.72 43.17 2dk3 s GLY 45 CO 0.00 -1.40 0.72 -0.54 0.00 0.00 0.00 173.10 171.88 2dk3 s GLU 46 N -3.25 4.45 -0.63 2.90 2.02 -1.26 -3.78 118.70 119.15 2dk3 s GLU 46 Ca 0.10 0.98 -0.27 0.00 0.02 0.00 0.00 54.97 55.81 2dk3 s GLU 46 Cb -0.00 -3.34 -0.11 0.00 0.10 0.00 0.00 34.13 30.78 2dk3 s GLU 46 CO -0.00 0.36 2.48 -0.11 0.02 0.00 0.00 175.26 178.01 2dk3 n LEU 47 N 2.55 1.75 -4.56 1.80 7.94 -1.24 -4.54 117.00 120.70 2dk3 n LEU 47 Ca -0.04 -0.41 -0.36 0.00 -1.11 0.00 0.00 56.01 54.09 2dk3 n LEU 47 Cb 0.50 -1.42 -0.11 0.00 0.53 0.00 0.00 43.42 42.92 2dk3 n LEU 47 CO 0.46 -1.44 -0.25 -1.38 -1.11 0.00 0.00 177.39 173.66 2dk3 s HIS 48 N 11.45 3.18 -1.12 1.96 -3.43 0.74 -4.44 115.29 123.64 2dk3 s HIS 48 Ca 1.07 -0.10 -0.03 0.00 -0.80 0.00 0.00 55.06 55.20 2dk3 s HIS 48 Cb -0.43 -2.18 0.02 0.00 -1.43 0.00 0.00 32.58 28.56 2dk3 s HIS 48 CO 0.31 -0.08 0.17 0.09 -2.00 0.00 0.00 174.74 173.23 2dk3 n ASN 49 N 4.26 -3.91 -0.11 7.38 4.13 -1.26 -0.45 115.26 125.31 2dk3 n ASN 49 Ca -0.16 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.11 2dk3 n ASN 49 Cb 0.52 -3.29 0.00 0.00 -1.54 0.00 0.00 39.78 35.47 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 -0.94 0.62 2.82 7.41 0.00 -1.26 -4.33 105.19 109.50 2dk3 n GLY 50 Ca -0.10 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.22 -0.37 -0.02 1.61 0.52 0.40 -2.29 118.94 116.58 2dk3 s TRP 51 Ca 0.00 0.43 0.06 0.00 0.02 0.00 0.00 56.10 56.61 2dk3 s TRP 51 Cb 0.00 -0.26 -0.02 0.00 -1.15 0.00 0.00 33.47 32.04 2dk3 s TRP 51 CO 0.00 -0.57 -0.19 -1.50 0.02 0.00 0.00 176.95 174.71 2dk3 s ILE 52 N 2.37 2.63 0.11 2.03 -1.16 -1.23 -0.18 121.20 125.76 2dk3 s ILE 52 Ca 0.07 -0.95 -0.08 0.00 -0.51 0.00 0.00 60.65 59.17 2dk3 s ILE 52 Cb -0.15 -2.00 -0.06 0.00 0.61 0.00 0.00 42.46 40.86 2dk3 s ILE 52 CO -0.12 0.54 0.40 -1.81 -2.81 0.00 0.00 174.94 171.14 2dk3 s ASP 53 N -0.81 6.58 -0.02 4.50 1.11 -1.25 -1.31 116.67 125.48 2dk3 s ASP 53 Ca 0.11 0.73 -0.00 0.00 0.18 0.00 0.00 52.55 53.57 2dk3 s ASP 53 Cb -0.10 -2.15 0.02 0.00 1.07 0.00 0.00 42.92 41.76 2dk3 s ASP 53 CO 0.01 0.12 0.03 0.54 1.18 0.00 0.00 175.17 177.04 2dk3 s VAL 54 N -1.51 -0.04 -0.60 -1.27 0.11 -0.73 -0.71 120.40 115.66 2dk3 s VAL 54 Ca 0.36 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.43 2dk3 s VAL 54 Cb -0.13 -0.06 0.15 0.00 -1.53 0.00 0.00 36.38 34.81 2dk3 s VAL 54 CO 0.20 0.06 0.52 -0.89 -3.33 0.00 0.00 175.10 171.66 2dk3 s THR 55 N 0.71 4.94 0.73 5.04 2.01 -0.34 -3.01 115.64 125.71 2dk3 s THR 55 Ca -0.06 -1.93 -0.14 0.00 0.31 0.00 0.00 61.69 59.88 2dk3 s THR 55 Cb -0.08 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.31 2dk3 s THR 55 CO -0.02 -0.89 1.13 0.26 -0.69 0.00 0.00 174.62 174.42 2dk3 s TRP 56 N 1.05 2.36 0.05 4.92 0.52 -0.35 -3.55 118.94 123.93 2dk3 s TRP 56 Ca 0.09 1.59 -0.25 0.00 0.02 0.00 0.00 56.10 57.55 2dk3 s TRP 56 Cb -0.23 -3.24 -0.17 0.00 -1.15 0.00 0.00 33.47 28.68 2dk3 s TRP 56 CO -0.01 -2.07 1.55 0.22 0.02 0.00 0.00 176.95 176.66 2dk3 h ASP 57 N -0.50 -0.08 -0.89 2.95 3.58 -1.89 -3.02 116.42 116.58 2dk3 h ASP 57 Ca -0.46 -0.15 0.25 0.00 0.42 0.00 0.00 57.03 57.08 2dk3 h ASP 57 Cb 1.26 0.02 -0.17 0.00 1.72 0.00 0.00 39.33 42.16 2dk3 h ASP 57 CO 0.51 0.11 0.02 0.00 -2.88 0.00 0.00 179.24 177.00 2dk3 n ALA 58 N -2.22 0.46 0.00 -0.78 0.00 -1.26 -4.73 120.51 111.97 2dk3 n ALA 58 Ca -0.08 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.31 2dk3 n ALA 58 Cb 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2dk3 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk3 n GLY 59 N -1.44 0.15 3.64 0.00 0.00 -1.14 -4.94 105.19 101.46 2dk3 n GLY 59 Ca 0.21 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2dk3 n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dk3 s GLY 60 N 0.00 -0.30 -0.07 -0.02 0.00 -1.24 -5.01 107.32 100.68 2dk3 s GLY 60 Ca 0.00 2.65 0.02 0.00 0.00 0.00 0.00 44.72 47.39 2dk3 s GLY 60 CO 0.00 2.20 -0.11 -1.35 0.00 0.00 0.00 173.10 173.83 2dk3 s SER 61 N 0.95 1.72 0.18 1.64 1.04 -1.26 -1.21 113.70 116.77 2dk3 s SER 61 Ca -0.04 -0.29 -0.23 0.00 0.48 0.00 0.00 55.95 55.87 2dk3 s SER 61 Cb -0.05 -0.80 0.05 0.00 0.10 0.00 0.00 66.02 65.33 2dk3 s SER 61 CO -0.11 0.02 0.77 0.20 0.98 0.00 0.00 173.24 175.10 2dk3 s ASN 62 N 0.71 -0.33 -0.12 7.02 -0.87 -1.16 -4.96 114.94 115.24 2dk3 s ASN 62 Ca -0.14 -0.34 -0.15 0.00 -1.57 0.00 0.00 52.86 50.67 2dk3 s ASN 62 Cb -0.16 0.60 -0.05 0.00 -0.02 0.00 0.00 41.25 41.62 2dk3 s ASN 62 CO 0.03 -1.06 0.37 -0.55 -2.57 0.00 0.00 177.10 173.32 2dk3 s SER 63 N -2.83 6.58 -0.08 -1.22 0.15 -1.26 -1.77 113.70 113.28 2dk3 s SER 63 Ca 0.08 0.69 0.02 0.00 0.70 0.00 0.00 55.95 57.44 2dk3 s SER 63 Cb -0.03 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 2dk3 s SER 63 CO -0.01 0.12 -0.12 -0.31 1.20 0.00 0.00 173.24 174.11 2dk3 s TYR 64 N 0.19 2.78 -0.26 3.44 1.51 -0.43 -4.91 117.35 119.67 2dk3 s TYR 64 Ca 0.21 -0.28 -0.32 0.00 -1.01 0.00 0.00 57.07 55.67 2dk3 s TYR 64 Cb -0.14 -1.72 -0.08 0.00 -0.11 0.00 0.00 41.96 39.91 2dk3 s TYR 64 CO 0.08 0.08 2.18 0.54 -1.11 0.00 0.00 175.55 177.32 2dk3 n ARG 65 N 2.71 1.60 -1.44 -0.62 1.74 -1.26 -3.52 116.66 115.87 2dk3 n ARG 65 Ca -0.18 0.46 -0.08 0.00 -0.77 0.00 0.00 57.85 57.28 2dk3 n ARG 65 Cb 0.52 -2.85 0.10 0.00 -1.02 0.00 0.00 32.46 29.22 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 8.33 2.46 0.00 5.56 2.81 -1.04 -0.87 117.12 134.36 2dk3 n MET 66 Ca 0.34 -3.65 0.00 0.00 -1.81 0.00 0.00 57.70 52.58 2dk3 n MET 66 Cb 0.34 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.81 1.30 0.36 3.03 0.00 -0.91 -4.82 105.19 103.34 2dk3 n GLY 67 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.39 -1.41 4.61 0.00 -0.97 -0.37 120.51 121.99 2dk3 n ALA 68 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 53.44 54.20 2dk3 n ALA 68 Cb 0.00 -0.23 0.20 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 -5.20 1.95 -2.62 0.00 1.02 -1.26 -4.92 120.64 109.61 2dk3 n GLU 69 Ca 0.05 -3.15 -0.15 0.00 -0.02 0.00 0.00 57.16 53.89 2dk3 n GLU 69 Cb 0.28 -1.85 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.08 -0.15 3.00 0.62 0.00 0.50 -5.01 105.19 103.06 2dk3 n GLY 70 Ca 0.35 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.13 1.49 -0.57 1.61 -0.14 -1.26 -4.92 119.74 110.82 2dk3 s LYS 71 Ca 0.14 -0.35 -0.11 0.00 -1.36 0.00 0.00 55.97 54.29 2dk3 s LYS 71 Cb -0.06 -1.27 0.15 0.00 -1.68 0.00 0.00 37.83 34.96 2dk3 s LYS 71 CO 0.18 0.02 0.47 -0.06 -0.76 0.00 0.00 175.35 175.19 2dk3 s PHE 72 N 0.65 3.45 0.09 3.18 0.08 -1.25 -2.15 117.98 122.04 2dk3 s PHE 72 Ca -0.13 -1.89 -0.02 0.00 0.12 0.00 0.00 56.93 55.01 2dk3 s PHE 72 Cb -0.15 -3.58 -0.26 0.00 -0.57 0.00 0.00 43.02 38.47 2dk3 s PHE 72 CO 0.03 -0.98 1.18 -0.44 -0.10 0.00 0.00 175.22 174.91 2dk3 h ASP 73 N 8.23 0.34 -1.97 1.36 5.19 -1.21 -2.61 116.42 125.75 2dk3 h ASP 73 Ca -0.14 -0.36 -0.51 0.00 -0.62 0.00 0.00 57.03 55.40 2dk3 h ASP 73 Cb 1.06 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 2dk3 h ASP 73 CO 0.86 1.27 -0.50 -0.76 -3.12 0.00 0.00 179.24 176.99 2dk3 s LEU 74 N -7.09 3.57 0.30 1.55 1.43 -1.26 -0.83 118.68 116.34 2dk3 s LEU 74 Ca -0.03 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 2dk3 s LEU 74 Cb 0.08 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2dk3 s LEU 74 CO 0.87 -0.23 0.63 -1.59 0.23 0.00 0.00 176.35 176.25 2dk3 s LYS 75 N -3.90 1.81 0.56 1.70 -2.85 -0.23 -4.59 119.74 112.24 2dk3 s LYS 75 Ca 0.37 -1.25 -0.20 0.00 -1.00 0.00 0.00 55.97 53.90 2dk3 s LYS 75 Cb -0.06 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2dk3 s LYS 75 CO 0.25 -0.80 1.19 -0.51 0.10 0.00 0.00 175.35 175.58 2dk3 s LEU 76 N -3.02 3.75 0.56 2.77 1.43 -1.26 -0.10 118.68 122.81 2dk3 s LEU 76 Ca 0.18 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 55.47 2dk3 s LEU 76 Cb -0.03 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 2dk3 s LEU 76 CO 0.10 -1.40 1.01 0.00 0.23 0.00 0.00 176.35 176.29 2dk3 s ALA 77 N -1.61 2.96 -1.04 4.21 0.00 -1.08 -4.32 121.76 120.87 2dk3 s ALA 77 Ca 0.74 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 2dk3 s ALA 77 Cb -0.29 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2dk3 s ALA 77 CO 0.33 -0.50 1.94 -1.25 0.00 0.00 0.00 175.76 176.27 2dk3 s PRO 78 N -4.27 2.52 0.00 0.00 0.04 -1.26 -2.29 135.00 129.74 2dk3 s PRO 78 Ca 0.60 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2dk3 s PRO 78 Cb -0.12 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2dk3 s PRO 78 CO 0.37 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 174.13 2dk3 n GLY 79 N 6.33 1.60 0.07 0.56 0.00 -1.26 -5.06 105.19 107.42 2dk3 n GLY 79 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 2dk3 n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2dk3 n TYR 80 N 0.00 0.91 -4.23 1.61 9.36 -0.97 -4.98 117.16 118.86 2dk3 n TYR 80 Ca 0.00 0.40 -0.36 0.00 3.32 0.00 0.00 57.90 61.26 2dk3 n TYR 80 Cb 0.00 -0.77 -0.06 0.00 -0.63 0.00 0.00 39.34 37.88 2dk3 n TYR 80 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dk3 n SER 81 N -4.61 -0.64 -0.53 2.98 2.88 -1.26 -4.48 113.62 107.97 2dk3 n SER 81 Ca -0.08 -1.28 0.03 0.00 -1.33 0.00 0.00 58.87 56.22 2dk3 n SER 81 Cb 0.28 -1.67 -0.02 0.00 -0.75 0.00 0.00 64.21 62.05 2dk3 n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk3 n GLY 82 N -2.42 -3.05 3.72 0.46 0.00 -1.26 -4.96 105.19 97.68 2dk3 n GLY 82 Ca -0.26 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.93 1.31 -0.92 1.61 0.04 -1.26 -5.00 135.00 126.84 2dk3 s PRO 83 Ca 0.00 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 61.85 2dk3 s PRO 83 Cb 0.00 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.95 2dk3 s PRO 83 CO 0.00 -2.21 0.82 0.45 0.04 0.00 0.00 177.00 176.10 2dk3 s SER 84 N -3.42 6.16 -1.06 6.66 0.15 -1.26 -5.00 113.70 115.93 2dk3 s SER 84 Ca 0.63 -3.71 -0.23 0.00 0.70 0.00 0.00 55.95 53.34 2dk3 s SER 84 Cb -0.18 -1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 2dk3 s SER 84 CO 0.57 -0.19 1.88 -0.55 1.20 0.00 0.00 173.24 176.15 2dk3 s SER 85 N 0.04 5.35 0.00 5.45 0.15 -1.26 -5.33 113.70 118.10 2dk3 s SER 85 Ca 0.28 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2dk3 s SER 85 Cb -0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dk3 s SER 85 CO -0.12 -2.65 0.00 0.61 1.20 0.00 0.00 173.24 172.28