#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 2.24 0.25 1.61 0.01 -1.26 -5.14 113.70 111.40 2dk3 s SER 2 Ca 0.00 -0.44 -0.15 0.00 1.31 0.00 0.00 55.95 56.67 2dk3 s SER 2 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2dk3 s SER 2 CO 0.00 0.17 0.52 -0.55 0.41 0.00 0.00 173.24 173.79 2dk3 s SER 3 N -0.88 -0.13 0.00 2.44 0.15 -1.26 -5.17 113.70 108.84 2dk3 s SER 3 Ca 0.06 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2dk3 s SER 3 Cb -0.08 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2dk3 s SER 3 CO 0.01 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.89 2dk3 n GLY 4 N -0.39 3.46 3.69 9.45 0.00 -1.26 -5.12 105.19 115.02 2dk3 n GLY 4 Ca -0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2dk3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk3 s SER 5 N 2.00 6.67 0.10 1.61 1.04 -1.26 -4.99 113.70 118.86 2dk3 s SER 5 Ca 0.00 2.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 2dk3 s SER 5 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 2dk3 s SER 5 CO 0.00 -0.83 0.46 -0.94 0.98 0.00 0.00 173.24 172.91 2dk3 s SER 6 N 2.09 6.73 0.00 7.02 1.04 -1.26 -5.01 113.70 124.32 2dk3 s SER 6 Ca 0.71 0.92 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2dk3 s SER 6 Cb -0.38 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2dk3 s SER 6 CO 0.31 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2dk3 n GLY 7 N 0.96 -0.70 3.18 7.32 0.00 -1.26 -5.18 105.19 109.50 2dk3 n GLY 7 Ca -0.08 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 2dk3 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk3 s VAL 8 N 0.00 0.04 0.68 1.61 0.11 -1.26 -5.17 120.40 116.41 2dk3 s VAL 8 Ca 0.00 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 58.62 2dk3 s VAL 8 Cb 0.00 -0.48 0.17 0.00 -1.53 0.00 0.00 36.38 34.54 2dk3 s VAL 8 CO 0.00 -0.17 0.62 -2.11 -3.33 0.00 0.00 175.10 170.11 2dk3 n ARG 9 N 2.03 -2.12 -2.65 1.54 1.85 -1.26 -3.93 116.66 112.12 2dk3 n ARG 9 Ca -0.18 -0.99 -0.12 0.00 -1.00 0.00 0.00 57.85 55.56 2dk3 n ARG 9 Cb 0.57 -0.91 -0.00 0.00 -1.05 0.00 0.00 32.46 31.06 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 -4.02 -3.30 -0.07 2.89 3.41 -1.26 -4.83 113.62 106.44 2dk3 n SER 10 Ca 0.09 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 2dk3 n SER 10 Cb 0.33 -2.82 -0.11 0.00 -0.26 0.00 0.00 64.21 61.35 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 -0.20 0.00 -0.94 4.33 4.15 -2.01 -3.34 115.11 117.10 2dk3 h GLN 11 Ca -0.27 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.37 2dk3 h GLN 11 Cb 1.19 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.81 2dk3 h GLN 11 CO 0.32 0.85 0.61 -0.24 -1.93 0.00 0.00 178.83 178.45 2dk3 h VAL 12 N -1.00 0.65 -0.19 2.39 3.04 -1.90 0.34 116.25 119.59 2dk3 h VAL 12 Ca -0.05 -0.15 0.05 0.00 -1.01 0.00 0.00 66.70 65.55 2dk3 h VAL 12 Cb 0.90 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 2dk3 h VAL 12 CO -0.03 0.08 0.27 -0.07 -1.01 0.00 0.00 177.57 176.81 2dk3 h LEU 13 N 0.43 0.00 -1.35 3.16 3.38 -1.92 0.39 115.31 119.40 2dk3 h LEU 13 Ca 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 2dk3 h LEU 13 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dk3 h LEU 13 CO -0.21 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.39 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -0.47 -2.86 116.57 115.94 2dk3 h LYS 14 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dk3 h LYS 14 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2dk3 h LYS 14 CO -0.00 0.04 -0.87 0.66 -0.57 0.00 0.00 179.45 178.71 2dk3 n TYR 15 N -3.16 0.00 -1.68 -1.35 4.02 0.13 -4.84 117.16 110.28 2dk3 n TYR 15 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2dk3 n TYR 15 Cb 0.34 -0.06 -0.09 0.00 -0.02 0.00 0.00 39.34 39.50 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 -1.47 0.76 -4.34 -0.72 2.81 -0.59 -4.86 117.12 108.71 2dk3 n MET 16 Ca 0.02 -1.97 -0.22 0.00 -1.81 0.00 0.00 57.70 53.71 2dk3 n MET 16 Cb 0.26 -3.72 -0.11 0.00 -0.71 0.00 0.00 33.22 28.93 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 13.67 1.88 -0.58 2.03 -7.23 -1.26 -3.62 120.40 125.28 2dk3 s VAL 17 Ca 0.74 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.73 2dk3 s VAL 17 Cb -0.01 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2dk3 s VAL 17 CO 0.18 -0.28 1.84 -2.16 -0.31 0.00 0.00 175.10 174.36 2dk3 s PRO 18 N -2.75 2.72 0.00 4.82 0.04 -1.25 -2.48 135.00 136.10 2dk3 s PRO 18 Ca 0.16 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2dk3 s PRO 18 Cb -0.06 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2dk3 s PRO 18 CO 0.07 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 174.90 2dk3 n GLY 19 N 5.66 0.76 2.06 0.56 0.00 0.32 -4.83 105.19 109.72 2dk3 n GLY 19 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.34 -2.67 4.61 0.00 -1.04 -4.83 120.51 116.25 2dk3 n ALA 20 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.12 2dk3 n ALA 20 Cb 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 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 -4.18 2.93 0.04 0.00 1.81 -1.26 -2.13 118.95 116.17 2dk3 s ARG 21 Ca 0.38 -0.56 -0.13 0.00 -1.72 0.00 0.00 55.73 53.70 2dk3 s ARG 21 Cb -0.02 -2.64 0.02 0.00 -0.45 0.00 0.00 34.95 31.86 2dk3 s ARG 21 CO 0.26 0.57 0.29 0.14 -0.68 0.00 0.00 175.30 175.88 2dk3 s VAL 22 N -0.55 0.08 0.27 3.52 -7.23 -1.22 -2.70 120.40 112.58 2dk3 s VAL 22 Ca 0.08 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 2dk3 s VAL 22 Cb -0.12 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2dk3 s VAL 22 CO 0.02 -0.39 0.13 0.27 -0.31 0.00 0.00 175.10 174.82 2dk3 s ILE 23 N -2.53 0.40 0.30 -0.62 -4.36 0.50 -1.27 121.20 113.61 2dk3 s ILE 23 Ca -0.05 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.06 2dk3 s ILE 23 Cb -0.01 -2.57 -0.14 0.00 1.25 0.00 0.00 42.46 41.00 2dk3 s ILE 23 CO -0.03 0.00 1.06 -2.11 0.24 0.00 0.00 174.94 174.10 2dk3 n ARG 24 N -0.50 1.50 -2.22 0.37 1.85 -1.26 -1.72 116.66 114.68 2dk3 n ARG 24 Ca 0.01 0.53 -0.12 0.00 -1.00 0.00 0.00 57.85 57.26 2dk3 n ARG 24 Cb 0.66 -1.94 0.04 0.00 -1.05 0.00 0.00 32.46 30.17 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 1.13 1.90 0.19 2.89 0.00 0.21 -4.58 105.19 106.93 2dk3 n GLY 25 Ca 0.09 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.98 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk3 h LEU 26 N 0.00 0.00 -3.10 0.99 3.38 -1.81 -2.91 115.31 111.86 2dk3 h LEU 26 Ca -0.17 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.51 2dk3 h LEU 26 Cb 0.78 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 2dk3 h LEU 26 CO 0.24 0.37 0.36 0.47 0.09 0.00 0.00 178.44 179.97 2dk3 n ASP 27 N -3.57 3.51 -4.56 -0.43 8.00 -1.23 -4.85 116.55 113.42 2dk3 n ASP 27 Ca -0.00 -2.89 -0.41 0.00 0.71 0.00 0.00 54.79 52.20 2dk3 n ASP 27 Cb 0.49 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.81 2.44 -2.27 1.24 -0.11 -1.10 -4.65 118.94 112.67 2dk3 s TRP 28 Ca 0.31 -0.55 0.24 0.00 1.22 0.00 0.00 56.10 57.32 2dk3 s TRP 28 Cb 0.26 -4.67 0.22 0.00 -1.50 0.00 0.00 33.47 27.78 2dk3 s TRP 28 CO 0.06 -1.99 1.24 0.36 -4.62 0.00 0.00 176.95 172.00 2dk3 n LYS 29 N 9.07 1.47 -3.09 5.86 -0.00 -1.26 -4.95 118.16 125.26 2dk3 n LYS 29 Ca 0.22 -1.16 -0.24 0.00 -0.00 0.00 0.00 58.31 57.13 2dk3 n LYS 29 Cb 0.50 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 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 -2.33 3.38 0.60 5.58 0.52 -1.26 -5.10 118.94 120.33 2dk3 s TRP 30 Ca 0.23 0.36 -0.10 0.00 0.02 0.00 0.00 56.10 56.61 2dk3 s TRP 30 Cb 0.19 -2.15 0.15 0.00 -1.15 0.00 0.00 33.47 30.51 2dk3 s TRP 30 CO 0.48 -0.16 0.65 0.54 0.02 0.00 0.00 176.95 178.48 2dk3 n ARG 31 N -1.99 -1.52 -2.19 4.98 5.12 -1.26 -4.87 116.66 114.93 2dk3 n ARG 31 Ca -0.01 -1.02 -0.31 0.00 -1.93 0.00 0.00 57.85 54.58 2dk3 n ARG 31 Cb 0.57 -0.82 -0.05 0.00 -1.16 0.00 0.00 32.46 31.00 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dk3 s ASP 32 N -3.33 5.49 0.19 0.55 1.01 -1.26 -4.74 116.67 114.58 2dk3 s ASP 32 Ca 0.39 -1.52 -0.06 0.00 0.71 0.00 0.00 52.55 52.07 2dk3 s ASP 32 Cb -0.03 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.42 2dk3 s ASP 32 CO 0.29 -2.53 1.54 1.56 0.21 0.00 0.00 175.17 176.24 2dk3 h GLN 33 N 9.78 0.75 -1.58 8.23 7.50 -2.01 -3.05 115.11 134.72 2dk3 h GLN 33 Ca 0.22 -0.38 -0.26 0.00 0.50 0.00 0.00 58.65 58.73 2dk3 h GLN 33 Cb 0.95 0.01 -0.11 0.00 0.05 0.00 0.00 27.48 28.38 2dk3 h GLN 33 CO 1.28 1.00 0.33 -0.40 -1.50 0.00 0.00 178.83 179.54 2dk3 n ASP 34 N -4.04 6.07 -1.31 1.46 5.75 -1.26 -4.84 116.55 118.37 2dk3 n ASP 34 Ca -0.02 -2.92 0.18 0.00 -0.01 0.00 0.00 54.79 52.02 2dk3 n ASP 34 Cb 0.53 -1.04 -0.05 0.00 -1.03 0.00 0.00 41.12 39.53 2dk3 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dk3 n GLY 35 N 0.53 -1.75 3.19 6.12 0.00 -1.15 -4.42 105.19 107.70 2dk3 n GLY 35 Ca 0.24 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 1.48 0.90 1.61 0.01 -1.26 -4.23 113.70 105.64 2dk3 s SER 36 Ca 0.00 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.25 2dk3 s SER 36 Cb 0.00 0.02 0.13 0.00 0.21 0.00 0.00 66.02 66.38 2dk3 s SER 36 CO 0.00 -0.32 1.09 -2.16 0.41 0.00 0.00 173.24 172.27 2dk3 s PRO 37 N -3.22 1.23 0.14 12.44 0.04 -1.26 -5.05 135.00 139.32 2dk3 s PRO 37 Ca 0.09 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 2dk3 s PRO 37 Cb -0.00 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 2dk3 s PRO 37 CO -0.01 -2.26 0.39 0.00 0.04 0.00 0.00 177.00 175.17 2dk3 n GLN 38 N -3.89 0.00 -4.20 4.56 10.64 -1.26 -4.96 117.38 118.27 2dk3 n GLN 38 Ca 0.07 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.11 2dk3 n GLN 38 Cb 0.55 -0.74 -0.09 0.00 -0.86 0.00 0.00 30.24 29.10 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dk3 s GLY 39 N -0.69 1.56 0.32 2.61 0.00 -1.26 -5.13 107.32 104.73 2dk3 s GLY 39 Ca 0.47 -1.71 -0.10 0.00 0.00 0.00 0.00 44.72 43.38 2dk3 s GLY 39 CO 0.41 -1.34 0.67 -0.54 0.00 0.00 0.00 173.10 172.30 2dk3 s GLU 40 N -3.96 3.81 0.00 2.90 8.01 -1.26 -4.72 118.70 123.49 2dk3 s GLU 40 Ca 0.38 0.39 0.00 0.00 0.01 0.00 0.00 54.97 55.75 2dk3 s GLU 40 Cb 0.05 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 2dk3 s GLU 40 CO 0.15 0.14 0.00 0.41 0.01 0.00 0.00 175.26 175.97 2dk3 n GLY 41 N -0.74 4.03 2.84 -1.39 0.00 -0.39 -4.08 105.19 105.45 2dk3 n GLY 41 Ca 0.02 -2.20 -0.13 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 -0.86 -0.47 0.34 2.61 2.01 -1.24 -3.43 115.64 114.60 2dk3 s THR 42 Ca 0.00 -0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 2dk3 s THR 42 Cb -0.00 -0.76 -0.13 0.00 0.01 0.00 0.00 72.50 71.62 2dk3 s THR 42 CO 0.00 -0.17 1.17 0.52 -0.69 0.00 0.00 174.62 175.45 2dk3 n VAL 43 N 5.34 2.07 0.00 3.82 0.31 -0.90 -1.45 118.33 127.51 2dk3 n VAL 43 Ca -0.04 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2dk3 n VAL 43 Cb 0.50 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 -4.34 2.52 5.66 -0.81 0.12 114.28 117.62 2dk3 n THR 44 Ca 0.07 -0.12 -0.21 0.00 -3.05 0.00 0.00 64.05 60.74 2dk3 n THR 44 Cb 0.35 0.58 -0.11 0.00 -1.55 0.00 0.00 70.33 69.60 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 -1.20 1.42 0.05 1.09 0.00 -0.91 -4.61 107.32 103.16 2dk3 s GLY 45 Ca 0.00 -1.56 -0.22 0.00 0.00 0.00 0.00 44.72 42.94 2dk3 s GLY 45 CO 0.00 -1.63 0.66 -0.54 0.00 0.00 0.00 173.10 171.59 2dk3 s GLU 46 N -3.10 4.37 -0.44 2.90 2.02 -1.26 -3.80 118.70 119.40 2dk3 s GLU 46 Ca 0.18 0.88 -0.28 0.00 0.02 0.00 0.00 54.97 55.78 2dk3 s GLU 46 Cb -0.04 -3.31 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 2dk3 s GLU 46 CO 0.07 0.45 2.37 -0.11 0.02 0.00 0.00 175.26 178.05 2dk3 n LEU 47 N 2.31 2.39 -4.38 1.80 7.94 -1.24 -4.58 117.00 121.24 2dk3 n LEU 47 Ca -0.06 -0.17 -0.34 0.00 -1.11 0.00 0.00 56.01 54.33 2dk3 n LEU 47 Cb 0.50 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 42.82 2dk3 n LEU 47 CO 0.44 -1.18 -0.41 -1.38 -1.11 0.00 0.00 177.39 173.75 2dk3 s HIS 48 N 10.43 2.90 -1.34 1.96 -3.43 0.73 -4.56 115.29 121.98 2dk3 s HIS 48 Ca 1.03 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2dk3 s HIS 48 Cb -0.38 -1.94 0.00 0.00 -1.43 0.00 0.00 32.58 28.83 2dk3 s HIS 48 CO 0.33 -0.27 0.00 0.09 -2.00 0.00 0.00 174.74 172.89 2dk3 n ASN 49 N 3.89 -4.56 -0.12 7.38 3.02 -1.26 -0.91 115.26 122.70 2dk3 n ASN 49 Ca -0.18 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2dk3 n ASN 49 Cb 0.52 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 2dk3 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dk3 n GLY 50 N -0.82 0.61 2.95 7.41 0.00 -1.26 -4.35 105.19 109.72 2dk3 n GLY 50 Ca -0.18 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.23 -0.41 0.01 1.61 0.52 -0.09 -2.38 118.94 115.97 2dk3 s TRP 51 Ca 0.00 0.81 0.07 0.00 0.02 0.00 0.00 56.10 57.00 2dk3 s TRP 51 Cb 0.00 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.20 2dk3 s TRP 51 CO 0.00 -0.42 -0.22 -1.50 0.02 0.00 0.00 176.95 174.82 2dk3 s ILE 52 N 2.41 1.77 0.20 2.03 -1.16 -1.22 -0.19 121.20 125.03 2dk3 s ILE 52 Ca 0.03 -1.09 -0.02 0.00 -0.51 0.00 0.00 60.65 59.06 2dk3 s ILE 52 Cb -0.13 -1.50 -0.05 0.00 0.61 0.00 0.00 42.46 41.40 2dk3 s ILE 52 CO -0.10 0.38 0.40 -1.81 -2.81 0.00 0.00 174.94 171.00 2dk3 s ASP 53 N -0.84 6.41 -0.15 4.50 1.11 -1.26 -1.92 116.67 124.53 2dk3 s ASP 53 Ca 0.09 0.47 -0.08 0.00 0.18 0.00 0.00 52.55 53.20 2dk3 s ASP 53 Cb -0.09 -2.04 0.05 0.00 1.07 0.00 0.00 42.92 41.92 2dk3 s ASP 53 CO 0.00 -0.04 0.36 0.54 1.18 0.00 0.00 175.17 177.22 2dk3 s VAL 54 N -1.84 -0.03 -0.73 -1.27 0.11 -1.07 -1.93 120.40 113.65 2dk3 s VAL 54 Ca 0.39 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.40 2dk3 s VAL 54 Cb -0.11 -0.54 0.18 0.00 -1.53 0.00 0.00 36.38 34.37 2dk3 s VAL 54 CO 0.28 0.04 0.70 -0.89 -3.33 0.00 0.00 175.10 171.91 2dk3 s THR 55 N 1.32 5.36 1.00 5.04 2.01 -0.53 -2.95 115.64 126.88 2dk3 s THR 55 Ca -0.09 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 59.81 2dk3 s THR 55 Cb -0.09 -4.45 0.19 0.00 0.01 0.00 0.00 72.50 68.16 2dk3 s THR 55 CO -0.11 -1.02 1.09 0.79 -0.69 0.00 0.00 174.62 174.67 2dk3 n TRP 56 N 4.74 0.18 -0.05 4.92 7.02 -0.72 -3.62 117.44 129.91 2dk3 n TRP 56 Ca 0.04 0.23 -0.14 0.00 -1.02 0.00 0.00 57.50 56.62 2dk3 n TRP 56 Cb 0.45 -1.91 -0.08 0.00 -2.42 0.00 0.00 31.31 27.35 2dk3 n TRP 56 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 2dk3 h ASP 57 N -2.13 0.41 -0.93 -0.99 1.82 -1.88 -3.20 116.42 109.52 2dk3 h ASP 57 Ca -0.49 -0.54 0.37 0.00 -0.39 0.00 0.00 57.03 55.99 2dk3 h ASP 57 Cb 1.29 -0.12 -0.17 0.00 0.68 0.00 0.00 39.33 41.01 2dk3 h ASP 57 CO 0.43 0.87 0.42 0.00 -1.61 0.00 0.00 179.24 179.35 2dk3 n ALA 58 N -2.45 0.88 0.00 -0.78 0.00 -1.26 -4.73 120.51 112.17 2dk3 n ALA 58 Ca -0.07 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.33 2dk3 n ALA 58 Cb 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.28 0.47 0.00 0.00 0.00 -1.21 -4.95 105.19 98.22 2dk3 n GLY 59 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.00 3.23 -0.02 0.00 -1.25 -5.03 105.19 104.12 2dk3 n GLY 60 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.26 0.14 1.61 0.15 -1.26 -1.76 113.70 114.83 2dk3 s SER 61 Ca 0.00 -0.53 -0.25 0.00 0.70 0.00 0.00 55.95 55.87 2dk3 s SER 61 Cb 0.00 -0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 2dk3 s SER 61 CO 0.00 0.11 0.82 0.21 1.20 0.00 0.00 173.24 175.58 2dk3 s ASN 62 N -1.29 -0.32 0.05 5.45 3.84 -1.15 -4.95 114.94 116.56 2dk3 s ASN 62 Ca 0.06 -0.26 -0.21 0.00 0.21 0.00 0.00 52.86 52.66 2dk3 s ASN 62 Cb -0.09 0.53 -0.06 0.00 -0.55 0.00 0.00 41.25 41.08 2dk3 s ASN 62 CO 0.02 -0.93 0.61 -0.94 -2.79 0.00 0.00 177.10 173.07 2dk3 s SER 63 N -2.78 7.07 -0.01 -4.21 1.04 -1.26 -2.59 113.70 110.96 2dk3 s SER 63 Ca 0.08 1.27 0.06 0.00 0.48 0.00 0.00 55.95 57.84 2dk3 s SER 63 Cb -0.02 -2.38 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 2dk3 s SER 63 CO -0.03 0.20 -0.19 -0.31 0.98 0.00 0.00 173.24 173.89 2dk3 s TYR 64 N -0.74 1.73 -0.00 5.02 2.02 -0.81 -4.97 117.35 119.60 2dk3 s TYR 64 Ca 0.31 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 2dk3 s TYR 64 Cb -0.19 -1.11 -0.08 0.00 -0.40 0.00 0.00 41.96 40.18 2dk3 s TYR 64 CO 0.19 -0.03 1.93 1.03 -1.57 0.00 0.00 175.55 177.11 2dk3 s ARG 65 N -0.48 4.07 -0.15 -0.62 0.52 -1.26 -3.39 118.95 117.63 2dk3 s ARG 65 Ca 0.07 2.49 0.16 0.00 -0.52 0.00 0.00 55.73 57.93 2dk3 s ARG 65 Cb -0.07 -4.15 0.43 0.00 0.52 0.00 0.00 34.95 31.68 2dk3 s ARG 65 CO -0.01 -1.03 1.20 -1.33 0.02 0.00 0.00 175.30 174.15 2dk3 n MET 66 N 7.57 1.29 0.00 3.54 2.81 -1.00 -0.50 117.12 130.83 2dk3 n MET 66 Ca 0.20 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.10 2dk3 n MET 66 Cb 0.42 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 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 -0.55 1.12 0.33 3.03 0.00 -1.18 -4.81 105.19 103.14 2dk3 n GLY 67 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.40 -0.08 4.61 0.00 -1.05 -0.37 120.51 124.03 2dk3 n ALA 68 Ca 0.00 1.02 0.02 0.00 0.00 0.00 0.00 53.44 54.48 2dk3 n ALA 68 Cb 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 -5.45 2.93 -1.36 0.00 1.02 -1.26 -4.97 120.64 111.55 2dk3 n GLU 69 Ca 0.20 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 2dk3 n GLU 69 Cb 0.65 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.28 0.80 2.87 0.62 0.00 0.50 -5.06 105.19 104.63 2dk3 n GLY 70 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.97 1.32 -0.61 1.61 -0.14 -1.26 -4.90 119.74 112.79 2dk3 s LYS 71 Ca 0.00 -0.26 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 2dk3 s LYS 71 Cb 0.00 -1.60 0.09 0.00 -1.68 0.00 0.00 37.83 34.64 2dk3 s LYS 71 CO 0.00 -0.33 0.78 -0.06 -0.76 0.00 0.00 175.35 174.99 2dk3 s PHE 72 N 1.74 2.89 -0.21 3.18 0.08 -1.26 -3.10 117.98 121.31 2dk3 s PHE 72 Ca 0.04 -0.80 0.17 0.00 0.12 0.00 0.00 56.93 56.46 2dk3 s PHE 72 Cb -0.13 -4.08 0.08 0.00 -0.57 0.00 0.00 43.02 38.31 2dk3 s PHE 72 CO -0.08 -1.40 1.35 -0.44 -0.10 0.00 0.00 175.22 174.56 2dk3 h ASP 73 N 9.30 0.00 -3.16 1.36 5.19 -1.06 -3.27 116.42 124.78 2dk3 h ASP 73 Ca -0.29 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.48 2dk3 h ASP 73 Cb 1.08 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.44 2dk3 h ASP 73 CO 1.12 0.39 -0.74 -0.76 -3.12 0.00 0.00 179.24 176.13 2dk3 s LEU 74 N -6.23 2.90 0.18 1.55 1.43 -1.26 0.66 118.68 117.92 2dk3 s LEU 74 Ca 0.03 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 2dk3 s LEU 74 Cb 0.07 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2dk3 s LEU 74 CO 0.75 0.12 0.32 -1.59 0.23 0.00 0.00 176.35 176.17 2dk3 s LYS 75 N -2.68 1.24 0.46 1.70 -2.85 -0.70 -4.75 119.74 112.17 2dk3 s LYS 75 Ca 0.23 -1.21 -0.25 0.00 -1.00 0.00 0.00 55.97 53.74 2dk3 s LYS 75 Cb -0.09 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 35.99 2dk3 s LYS 75 CO 0.14 -0.47 1.38 -0.51 0.10 0.00 0.00 175.35 176.00 2dk3 s LEU 76 N -2.99 4.08 0.76 2.77 1.43 -1.26 -0.37 118.68 123.10 2dk3 s LEU 76 Ca 0.20 2.82 -0.14 0.00 -1.03 0.00 0.00 54.13 55.98 2dk3 s LEU 76 Cb 0.03 -4.00 0.06 0.00 0.03 0.00 0.00 46.19 42.30 2dk3 s LEU 76 CO 0.03 -1.18 1.20 0.00 0.23 0.00 0.00 176.35 176.63 2dk3 s ALA 77 N -1.24 2.01 -1.09 4.21 0.00 -1.10 -4.44 121.76 120.11 2dk3 s ALA 77 Ca 0.62 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.20 2dk3 s ALA 77 Cb -0.42 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 2dk3 s ALA 77 CO 0.53 -2.04 1.94 -1.25 0.00 0.00 0.00 175.76 174.94 2dk3 s PRO 78 N -4.03 2.51 0.00 0.00 0.04 -1.26 -1.97 135.00 130.29 2dk3 s PRO 78 Ca 0.73 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2dk3 s PRO 78 Cb -0.29 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2dk3 s PRO 78 CO 0.48 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 174.14 2dk3 n GLY 79 N 6.17 0.41 3.77 0.56 0.00 -1.26 -5.12 105.19 109.71 2dk3 n GLY 79 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.38 3.74 -0.06 1.61 6.14 -0.83 -5.07 117.35 121.51 2dk3 s TYR 80 Ca 0.00 1.33 0.05 0.00 0.64 0.00 0.00 57.07 59.09 2dk3 s TYR 80 Cb 0.00 -2.66 -0.00 0.00 0.42 0.00 0.00 41.96 39.72 2dk3 s TYR 80 CO 0.00 0.39 -0.20 -1.12 0.64 0.00 0.00 175.55 175.26 2dk3 s SER 81 N -0.43 2.51 0.59 4.32 0.01 -1.26 -4.80 113.70 114.64 2dk3 s SER 81 Ca 0.33 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 57.03 2dk3 s SER 81 Cb -0.20 -0.78 -0.12 0.00 0.21 0.00 0.00 66.02 65.13 2dk3 s SER 81 CO 0.20 0.17 -0.36 0.61 0.41 0.00 0.00 173.24 174.27 2dk3 n GLY 82 N 3.18 -3.12 3.66 3.44 0.00 -1.26 -4.77 105.19 106.33 2dk3 n GLY 82 Ca -0.18 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.18 4.20 0.27 1.61 0.04 -1.26 -4.95 135.00 133.73 2dk3 s PRO 83 Ca 0.39 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 2dk3 s PRO 83 Cb -0.28 -3.90 -0.14 0.00 0.04 0.00 0.00 34.50 30.23 2dk3 s PRO 83 CO 0.59 -0.79 1.18 0.45 0.04 0.00 0.00 177.00 178.47 2dk3 n SER 84 N 6.88 1.92 -0.08 6.66 2.88 -1.26 -4.94 113.62 125.69 2dk3 n SER 84 Ca 0.16 1.17 -0.10 0.00 -1.33 0.00 0.00 58.87 58.77 2dk3 n SER 84 Cb 0.43 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 62.52 2dk3 n SER 84 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dk3 n SER 85 N 1.46 1.84 0.00 -3.46 7.64 -1.26 -5.31 113.62 114.53 2dk3 n SER 85 Ca 0.10 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2dk3 n SER 85 Cb 0.31 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2dk3 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64