#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 -4.04 -3.58 1.61 3.41 -1.26 -5.01 113.62 104.74 2dk3 n SER 2 Ca 0.00 0.35 -0.02 0.00 -0.26 0.00 0.00 58.87 58.94 2dk3 n SER 2 Cb 0.00 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 62.95 2dk3 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dk3 s SER 3 N -1.31 -0.77 -0.27 4.04 0.15 -1.26 -5.14 113.70 109.14 2dk3 s SER 3 Ca 0.50 1.14 -0.24 0.00 0.70 0.00 0.00 55.95 58.06 2dk3 s SER 3 Cb -0.26 1.61 -0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2dk3 s SER 3 CO 0.73 -0.17 0.79 -0.83 1.20 0.00 0.00 173.24 174.97 2dk3 s GLY 4 N 2.05 1.74 -0.40 9.45 0.00 -1.26 -5.02 107.32 113.87 2dk3 s GLY 4 Ca -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.24 2dk3 s GLY 4 CO -0.18 1.75 0.26 -0.56 0.00 0.00 0.00 173.10 174.37 2dk3 s SER 5 N 1.47 5.90 0.85 1.64 0.01 -1.26 -5.08 113.70 117.23 2dk3 s SER 5 Ca 0.33 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.46 2dk3 s SER 5 Cb -0.15 -2.08 0.10 0.00 0.21 0.00 0.00 66.02 64.10 2dk3 s SER 5 CO 0.10 -0.44 1.09 -0.94 0.41 0.00 0.00 173.24 173.46 2dk3 s SER 6 N 1.70 3.98 -0.08 2.44 1.04 -1.26 -4.96 113.70 116.57 2dk3 s SER 6 Ca 0.03 1.42 -0.30 0.00 0.48 0.00 0.00 55.95 57.58 2dk3 s SER 6 Cb -0.20 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 2dk3 s SER 6 CO 0.08 -2.31 1.37 -0.83 0.98 0.00 0.00 173.24 172.53 2dk3 s GLY 7 N -3.64 1.76 -0.01 7.32 0.00 -1.26 -5.01 107.32 106.47 2dk3 s GLY 7 Ca 0.62 0.69 0.02 0.00 0.00 0.00 0.00 44.72 46.06 2dk3 s GLY 7 CO 0.56 2.56 -0.07 0.54 0.00 0.00 0.00 173.10 176.68 2dk3 s VAL 8 N 3.08 0.60 0.62 1.40 0.11 -1.26 -5.15 120.40 119.80 2dk3 s VAL 8 Ca 0.61 -0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 59.27 2dk3 s VAL 8 Cb -0.27 -0.52 0.15 0.00 -1.53 0.00 0.00 36.38 34.21 2dk3 s VAL 8 CO 0.22 0.18 0.33 -2.11 -3.33 0.00 0.00 175.10 170.39 2dk3 n ARG 9 N 3.07 -2.16 -3.15 1.54 1.85 -1.26 -4.16 116.66 112.39 2dk3 n ARG 9 Ca -0.15 -0.55 -0.20 0.00 -1.00 0.00 0.00 57.85 55.94 2dk3 n ARG 9 Cb 0.56 -0.84 0.05 0.00 -1.05 0.00 0.00 32.46 31.18 2dk3 n ARG 9 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dk3 n SER 10 N -3.02 -5.70 -0.03 2.89 2.88 -1.26 -4.92 113.62 104.46 2dk3 n SER 10 Ca 0.05 -0.34 -0.15 0.00 -1.33 0.00 0.00 58.87 57.10 2dk3 n SER 10 Cb 0.23 -4.44 -0.09 0.00 -0.75 0.00 0.00 64.21 59.15 2dk3 n SER 10 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2dk3 h GLN 11 N -1.70 0.38 -0.04 -1.46 3.07 -2.02 -3.26 115.11 110.08 2dk3 h GLN 11 Ca -0.48 -0.32 -0.14 0.00 0.09 0.00 0.00 58.65 57.81 2dk3 h GLN 11 Cb 1.32 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.94 2dk3 h GLN 11 CO 0.50 0.96 -0.60 -0.24 0.09 0.00 0.00 178.83 179.54 2dk3 h VAL 12 N -0.09 1.40 0.00 1.86 3.04 -1.95 -2.88 116.25 117.63 2dk3 h VAL 12 Ca -0.03 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 2dk3 h VAL 12 Cb 1.04 2.04 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2dk3 h VAL 12 CO 0.08 0.58 0.09 -0.07 -1.01 0.00 0.00 177.57 177.24 2dk3 h LEU 13 N 0.11 0.00 0.00 3.16 3.38 -1.92 0.28 115.31 120.32 2dk3 h LEU 13 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2dk3 h LEU 13 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2dk3 h LEU 13 CO 0.09 0.00 -0.59 0.11 0.09 0.00 0.00 178.44 178.14 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -1.60 -3.27 116.57 114.40 2dk3 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dk3 h LYS 14 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2dk3 h LYS 14 CO 0.00 0.39 -1.43 0.66 -0.57 0.00 0.00 179.45 178.49 2dk3 n TYR 15 N -3.14 0.21 -1.57 -1.35 4.02 0.91 -4.80 117.16 111.45 2dk3 n TYR 15 Ca 0.01 0.06 -0.14 0.00 -0.01 0.00 0.00 57.90 57.82 2dk3 n TYR 15 Cb 0.71 -0.47 -0.11 0.00 -0.02 0.00 0.00 39.34 39.46 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 -2.12 0.22 -4.31 -0.72 2.81 -0.72 -4.86 117.12 107.42 2dk3 n MET 16 Ca -0.01 -1.44 -0.21 0.00 -1.81 0.00 0.00 57.70 54.23 2dk3 n MET 16 Cb 0.49 -3.84 -0.11 0.00 -0.71 0.00 0.00 33.22 29.05 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 16.52 1.71 -0.63 2.03 -7.23 -1.26 -3.78 120.40 127.76 2dk3 s VAL 17 Ca 0.84 -1.85 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 2dk3 s VAL 17 Cb -0.08 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 2dk3 s VAL 17 CO 0.16 -0.32 1.87 -2.16 -0.31 0.00 0.00 175.10 174.34 2dk3 s PRO 18 N -2.70 2.62 0.00 4.82 0.04 -1.25 -2.39 135.00 136.14 2dk3 s PRO 18 Ca 0.14 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2dk3 s PRO 18 Cb -0.06 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2dk3 s PRO 18 CO 0.06 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2dk3 n GLY 19 N 5.76 0.45 4.00 0.56 0.00 0.19 -4.85 105.19 111.30 2dk3 n GLY 19 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.92 3.81 -0.07 4.61 0.00 -1.01 -4.88 121.76 123.30 2dk3 s ALA 20 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.11 2dk3 s ALA 20 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2dk3 s ALA 20 CO 0.00 -1.44 0.10 1.03 0.00 0.00 0.00 175.76 175.46 2dk3 s ARG 21 N -5.11 3.26 0.15 0.00 1.81 -1.26 -1.71 118.95 116.08 2dk3 s ARG 21 Ca 0.66 -0.29 -0.11 0.00 -1.72 0.00 0.00 55.73 54.27 2dk3 s ARG 21 Cb -0.05 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 2dk3 s ARG 21 CO 0.44 0.72 0.31 0.14 -0.68 0.00 0.00 175.30 176.23 2dk3 s VAL 22 N -1.07 0.08 0.12 3.52 -7.23 -0.99 -3.48 120.40 111.35 2dk3 s VAL 22 Ca 0.18 -1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 2dk3 s VAL 22 Cb -0.12 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2dk3 s VAL 22 CO 0.08 -0.35 0.17 0.27 -0.31 0.00 0.00 175.10 174.96 2dk3 s ILE 23 N -3.92 0.12 0.39 -0.62 -4.36 0.71 0.08 121.20 113.60 2dk3 s ILE 23 Ca 0.12 -1.47 -0.26 0.00 -0.26 0.00 0.00 60.65 58.78 2dk3 s ILE 23 Cb 0.03 -1.68 -0.11 0.00 1.25 0.00 0.00 42.46 41.95 2dk3 s ILE 23 CO -0.04 -0.53 1.23 -2.11 0.24 0.00 0.00 174.94 173.74 2dk3 n ARG 24 N -0.10 1.90 0.00 0.37 1.85 -1.26 -0.84 116.66 118.58 2dk3 n ARG 24 Ca -0.10 0.67 0.00 0.00 -1.00 0.00 0.00 57.85 57.42 2dk3 n ARG 24 Cb 0.63 -2.30 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 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 0.86 2.96 0.14 2.89 0.00 0.23 -4.69 105.19 107.58 2dk3 n GLY 25 Ca 0.06 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.90 0.99 3.38 -1.81 -3.19 115.31 111.78 2dk3 h LEU 26 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2dk3 h LEU 26 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 2dk3 h LEU 26 CO 0.00 0.55 0.29 0.47 0.09 0.00 0.00 178.44 179.84 2dk3 n ASP 27 N -3.32 3.57 -4.53 -0.43 9.92 -1.23 -4.78 116.55 115.74 2dk3 n ASP 27 Ca 0.01 -2.71 -0.43 0.00 -0.53 0.00 0.00 54.79 51.13 2dk3 n ASP 27 Cb 0.71 -0.68 -0.01 0.00 -0.64 0.00 0.00 41.12 40.51 2dk3 n ASP 27 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2dk3 s TRP 28 N -1.42 2.96 -0.32 1.24 -0.11 -1.21 -4.59 118.94 115.49 2dk3 s TRP 28 Ca 0.25 -1.58 0.03 0.00 1.22 0.00 0.00 56.10 56.01 2dk3 s TRP 28 Cb 0.21 -4.58 0.30 0.00 -1.50 0.00 0.00 33.47 27.90 2dk3 s TRP 28 CO 0.04 -1.69 1.29 0.36 -4.62 0.00 0.00 176.95 172.33 2dk3 n LYS 29 N 7.56 1.81 -3.48 5.86 -0.00 -1.26 -4.87 118.16 123.78 2dk3 n LYS 29 Ca 0.40 -1.28 -0.18 0.00 -0.00 0.00 0.00 58.31 57.25 2dk3 n LYS 29 Cb 0.46 -1.58 -0.04 0.00 -0.00 0.00 0.00 35.03 33.88 2dk3 n LYS 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 2dk3 n TRP 30 N -0.07 0.61 -3.11 5.58 7.02 -1.26 -5.17 117.44 121.04 2dk3 n TRP 30 Ca 0.22 -1.41 -0.10 0.00 -1.02 0.00 0.00 57.50 55.19 2dk3 n TRP 30 Cb 0.90 -0.17 0.03 0.00 -2.42 0.00 0.00 31.31 29.65 2dk3 n TRP 30 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2dk3 n ARG 31 N -0.69 0.85 -1.80 -0.99 3.00 -1.26 -4.96 116.66 110.80 2dk3 n ARG 31 Ca -0.11 -1.53 -0.20 0.00 -0.01 0.00 0.00 57.85 55.99 2dk3 n ARG 31 Cb 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 32.46 32.66 2dk3 n ARG 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2dk3 s ASP 32 N -2.72 4.19 -0.18 0.55 -4.77 -1.26 -4.61 116.67 107.87 2dk3 s ASP 32 Ca 0.28 -1.02 -0.14 0.00 -3.30 0.00 0.00 52.55 48.36 2dk3 s ASP 32 Cb -0.02 -2.58 -0.21 0.00 -1.09 0.00 0.00 42.92 39.01 2dk3 s ASP 32 CO 0.18 -3.89 0.22 0.00 0.70 0.00 0.00 175.17 172.38 2dk3 n GLN 33 N 8.38 0.65 -0.24 2.11 1.13 -1.26 -4.29 117.38 123.85 2dk3 n GLN 33 Ca 0.43 0.41 0.03 0.00 -1.94 0.00 0.00 57.00 55.94 2dk3 n GLN 33 Cb 0.46 -1.71 0.16 0.00 0.11 0.00 0.00 30.24 29.26 2dk3 n GLN 33 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2dk3 h ASP 34 N -0.53 0.18 -1.13 1.08 2.03 -1.97 -3.45 116.42 112.64 2dk3 h ASP 34 Ca -0.41 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2dk3 h ASP 34 Cb 1.64 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 40.25 2dk3 h ASP 34 CO -0.10 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 178.79 2dk3 n GLY 35 N -1.32 4.87 3.69 7.15 0.00 -1.26 -3.45 105.19 114.87 2dk3 n GLY 35 Ca 0.12 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 5.09 1.10 1.61 0.01 -1.26 -2.97 113.70 117.27 2dk3 s SER 36 Ca 0.00 -0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.03 2dk3 s SER 36 Cb 0.00 -1.28 0.24 0.00 0.21 0.00 0.00 66.02 65.18 2dk3 s SER 36 CO 0.00 0.23 1.10 -2.16 0.41 0.00 0.00 173.24 172.82 2dk3 s PRO 37 N -1.89 -0.36 -0.35 12.44 0.04 -1.26 -4.98 135.00 138.65 2dk3 s PRO 37 Ca 0.22 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 2dk3 s PRO 37 Cb -0.12 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 2dk3 s PRO 37 CO 0.14 -3.20 1.41 1.04 0.04 0.00 0.00 177.00 176.43 2dk3 n GLN 38 N -4.46 0.00 0.00 4.56 1.13 -1.25 -4.87 117.38 112.49 2dk3 n GLN 38 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2dk3 n GLN 38 Cb 0.58 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.90 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 4.76 4.90 2.99 1.08 0.00 -1.16 -5.09 105.19 112.68 2dk3 n GLY 39 Ca 0.35 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 2.19 0.34 0.22 1.61 2.02 -1.26 -4.88 118.70 118.94 2dk3 s GLU 40 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.40 2dk3 s GLU 40 Cb 0.00 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.30 2dk3 s GLU 40 CO 0.00 -0.03 0.24 0.41 0.02 0.00 0.00 175.26 175.90 2dk3 n GLY 41 N 1.61 2.38 2.79 -1.39 0.00 0.11 -4.61 105.19 106.07 2dk3 n GLY 41 Ca -0.24 -2.19 -0.16 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.68 -0.39 0.41 2.61 2.01 -1.26 -2.34 115.64 116.00 2dk3 s THR 42 Ca 0.19 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.83 2dk3 s THR 42 Cb -0.01 -0.71 -0.11 0.00 0.01 0.00 0.00 72.50 71.68 2dk3 s THR 42 CO 0.12 -0.18 1.09 0.52 -0.69 0.00 0.00 174.62 175.48 2dk3 n VAL 43 N 5.33 2.42 0.00 3.82 0.31 -0.69 -2.20 118.33 127.32 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 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 -0.32 0.00 -4.23 2.52 5.66 -0.19 0.53 114.28 118.25 2dk3 n THR 44 Ca 0.08 -0.31 -0.15 0.00 -3.05 0.00 0.00 64.05 60.62 2dk3 n THR 44 Cb 0.38 0.98 -0.10 0.00 -1.55 0.00 0.00 70.33 70.04 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 -0.64 1.04 -0.17 1.09 0.00 -0.72 -4.62 107.32 103.30 2dk3 s GLY 45 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 44.72 43.13 2dk3 s GLY 45 CO 0.00 -1.46 0.66 -0.54 0.00 0.00 0.00 173.10 171.77 2dk3 s GLU 46 N -3.22 4.27 -0.50 2.90 2.02 -1.26 -3.76 118.70 119.14 2dk3 s GLU 46 Ca 0.12 0.71 -0.37 0.00 0.02 0.00 0.00 54.97 55.45 2dk3 s GLU 46 Cb -0.01 -3.55 -0.15 0.00 0.10 0.00 0.00 34.13 30.52 2dk3 s GLU 46 CO 0.01 -0.18 2.26 -0.11 0.02 0.00 0.00 175.26 177.26 2dk3 n LEU 47 N 4.79 1.36 -4.33 1.80 7.94 -1.25 -4.69 117.00 122.63 2dk3 n LEU 47 Ca -0.01 0.43 -0.34 0.00 -1.11 0.00 0.00 56.01 54.98 2dk3 n LEU 47 Cb 0.50 -1.10 -0.14 0.00 0.53 0.00 0.00 43.42 43.21 2dk3 n LEU 47 CO 0.45 -0.79 -0.41 -1.38 -1.11 0.00 0.00 177.39 174.15 2dk3 s HIS 48 N 7.35 2.92 -1.32 1.96 -3.43 0.19 -4.57 115.29 118.39 2dk3 s HIS 48 Ca 1.17 -0.85 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 2dk3 s HIS 48 Cb -1.12 -2.02 0.00 0.00 -1.43 0.00 0.00 32.58 28.02 2dk3 s HIS 48 CO 0.54 -0.44 0.00 0.09 -2.00 0.00 0.00 174.74 172.93 2dk3 n ASN 49 N 4.37 -4.13 -0.09 7.38 3.02 -1.26 -0.84 115.26 123.71 2dk3 n ASN 49 Ca -0.18 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2dk3 n ASN 49 Cb 0.51 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 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 -0.64 0.98 2.75 7.41 0.00 -1.26 -4.29 105.19 110.14 2dk3 n GLY 50 Ca -0.16 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.19 -0.30 -0.05 1.61 0.52 -0.02 -2.38 118.94 116.14 2dk3 s TRP 51 Ca 0.00 0.20 0.04 0.00 0.02 0.00 0.00 56.10 56.36 2dk3 s TRP 51 Cb 0.00 -0.36 -0.03 0.00 -1.15 0.00 0.00 33.47 31.93 2dk3 s TRP 51 CO 0.00 -0.63 -0.15 -1.50 0.02 0.00 0.00 176.95 174.69 2dk3 s ILE 52 N 2.33 3.03 0.13 2.03 -1.16 -1.22 -0.63 121.20 125.71 2dk3 s ILE 52 Ca 0.07 -0.73 -0.09 0.00 -0.51 0.00 0.00 60.65 59.39 2dk3 s ILE 52 Cb -0.16 -2.18 -0.06 0.00 0.61 0.00 0.00 42.46 40.67 2dk3 s ILE 52 CO -0.14 0.59 0.44 -1.81 -2.81 0.00 0.00 174.94 171.21 2dk3 s ASP 53 N -0.71 6.62 -0.08 4.50 1.11 -1.26 -1.86 116.67 125.00 2dk3 s ASP 53 Ca 0.11 0.80 -0.03 0.00 0.18 0.00 0.00 52.55 53.60 2dk3 s ASP 53 Cb -0.11 -2.18 0.04 0.00 1.07 0.00 0.00 42.92 41.75 2dk3 s ASP 53 CO 0.01 0.09 0.18 0.54 1.18 0.00 0.00 175.17 177.16 2dk3 s VAL 54 N -1.54 -0.13 -0.64 -1.27 0.11 -1.00 -1.02 120.40 114.91 2dk3 s VAL 54 Ca 0.38 0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 59.52 2dk3 s VAL 54 Cb -0.13 -0.29 0.16 0.00 -1.53 0.00 0.00 36.38 34.59 2dk3 s VAL 54 CO 0.20 0.10 0.58 -0.89 -3.33 0.00 0.00 175.10 171.76 2dk3 s THR 55 N 1.58 5.22 0.74 5.04 2.01 -0.93 -2.98 115.64 126.31 2dk3 s THR 55 Ca -0.05 -1.94 -0.15 0.00 0.31 0.00 0.00 61.69 59.86 2dk3 s THR 55 Cb -0.12 -4.30 0.05 0.00 0.01 0.00 0.00 72.50 68.14 2dk3 s THR 55 CO -0.07 -0.92 1.19 0.26 -0.69 0.00 0.00 174.62 174.40 2dk3 s TRP 56 N 0.98 2.07 0.26 4.92 0.52 -1.25 -4.14 118.94 122.29 2dk3 s TRP 56 Ca 0.09 1.61 -0.05 0.00 0.02 0.00 0.00 56.10 57.77 2dk3 s TRP 56 Cb -0.22 -3.43 0.30 0.00 -1.15 0.00 0.00 33.47 28.96 2dk3 s TRP 56 CO -0.02 -2.55 1.90 0.22 0.02 0.00 0.00 176.95 176.52 2dk3 h ASP 57 N -0.41 1.07 -0.81 2.95 3.58 -1.82 -2.67 116.42 118.31 2dk3 h ASP 57 Ca -0.47 -0.07 0.20 0.00 0.42 0.00 0.00 57.03 57.11 2dk3 h ASP 57 Cb 1.29 -0.27 -0.13 0.00 1.72 0.00 0.00 39.33 41.94 2dk3 h ASP 57 CO 0.49 0.83 0.15 0.00 -2.88 0.00 0.00 179.24 177.83 2dk3 h ALA 58 N 1.36 1.05 0.00 -0.78 0.00 -1.85 -3.46 119.26 115.57 2dk3 h ALA 58 Ca 0.32 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2dk3 h ALA 58 Cb -0.04 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2dk3 h ALA 58 CO -0.06 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.18 2dk3 n GLY 59 N -1.39 1.50 0.00 0.00 0.00 -1.01 -5.13 105.19 99.17 2dk3 n GLY 59 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.60 3.88 -0.02 0.00 -1.26 -5.01 105.19 103.38 2dk3 n GLY 60 Ca 0.00 0.49 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 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 6.57 -0.01 1.61 1.04 -1.26 -3.92 113.70 117.73 2dk3 s SER 61 Ca 0.00 0.78 -0.29 0.00 0.48 0.00 0.00 55.95 56.91 2dk3 s SER 61 Cb 0.00 -2.17 0.10 0.00 0.10 0.00 0.00 66.02 64.06 2dk3 s SER 61 CO 0.00 0.00 0.91 0.21 0.98 0.00 0.00 173.24 175.34 2dk3 s ASN 62 N -2.34 -0.35 -0.05 7.02 2.47 -1.16 -4.96 114.94 115.57 2dk3 s ASN 62 Ca 0.44 -0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.49 2dk3 s ASN 62 Cb -0.12 0.37 -0.04 0.00 -1.45 0.00 0.00 41.25 40.01 2dk3 s ASN 62 CO 0.22 -0.60 0.63 -0.44 -3.72 0.00 0.00 177.10 173.18 2dk3 s SER 63 N -2.47 6.93 0.03 -4.21 0.01 -1.26 -2.36 113.70 110.37 2dk3 s SER 63 Ca 0.05 1.12 0.07 0.00 1.31 0.00 0.00 55.95 58.50 2dk3 s SER 63 Cb -0.01 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2dk3 s SER 63 CO -0.09 -0.02 -0.18 -0.31 0.41 0.00 0.00 173.24 173.06 2dk3 s TYR 64 N 0.41 2.56 -0.22 2.43 1.51 -0.78 -4.95 117.35 118.31 2dk3 s TYR 64 Ca 0.33 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.85 2dk3 s TYR 64 Cb -0.17 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2dk3 s TYR 64 CO 0.16 0.24 1.88 1.03 -1.11 0.00 0.00 175.55 177.75 2dk3 s ARG 65 N -1.36 3.53 -0.17 -0.62 0.52 -1.26 -3.41 118.95 116.18 2dk3 s ARG 65 Ca 0.14 1.82 0.14 0.00 -0.52 0.00 0.00 55.73 57.31 2dk3 s ARG 65 Cb -0.10 -4.19 0.39 0.00 0.52 0.00 0.00 34.95 31.57 2dk3 s ARG 65 CO 0.05 -1.63 1.20 -1.33 0.02 0.00 0.00 175.30 173.60 2dk3 n MET 66 N 8.17 1.30 0.00 3.54 2.81 -1.11 -0.59 117.12 131.24 2dk3 n MET 66 Ca 0.23 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.13 2dk3 n MET 66 Cb 0.45 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 -0.92 0.94 0.35 3.03 0.00 -1.17 -4.78 105.19 102.64 2dk3 n GLY 67 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 0.80 -0.09 4.61 0.00 -1.66 0.14 119.26 123.06 2dk3 h ALA 68 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2dk3 h ALA 68 Cb 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2dk3 h ALA 68 CO 0.00 -0.44 -0.18 0.39 0.00 0.00 0.00 179.25 179.02 2dk3 n GLU 69 N -5.58 1.70 -2.53 0.00 1.02 -1.26 -4.95 120.64 109.04 2dk3 n GLU 69 Ca 0.18 -2.96 -0.12 0.00 -0.02 0.00 0.00 57.16 54.23 2dk3 n GLU 69 Cb 0.57 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.16 -0.04 2.83 0.62 0.00 0.48 -5.02 105.19 102.91 2dk3 n GLY 70 Ca 0.21 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.98 1.08 -0.72 1.61 -0.14 -1.26 -4.92 119.74 110.41 2dk3 s LYS 71 Ca 0.11 -0.30 -0.20 0.00 -1.36 0.00 0.00 55.97 54.22 2dk3 s LYS 71 Cb -0.05 -1.71 0.10 0.00 -1.68 0.00 0.00 37.83 34.49 2dk3 s LYS 71 CO 0.14 -0.42 0.92 -0.06 -0.76 0.00 0.00 175.35 175.17 2dk3 s PHE 72 N 1.78 2.93 0.09 3.18 0.08 -1.26 -3.05 117.98 121.73 2dk3 s PHE 72 Ca 0.02 -0.95 -0.02 0.00 0.12 0.00 0.00 56.93 56.11 2dk3 s PHE 72 Cb -0.14 -4.19 -0.26 0.00 -0.57 0.00 0.00 43.02 37.86 2dk3 s PHE 72 CO -0.07 -1.48 1.18 -0.44 -0.10 0.00 0.00 175.22 174.31 2dk3 h ASP 73 N 9.20 0.33 -2.08 1.36 3.32 -1.10 -3.27 116.42 124.17 2dk3 h ASP 73 Ca -0.16 -0.35 -0.51 0.00 0.02 0.00 0.00 57.03 56.04 2dk3 h ASP 73 Cb 1.06 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 2dk3 h ASP 73 CO 1.12 1.27 -0.51 -0.76 -1.72 0.00 0.00 179.24 178.63 2dk3 s LEU 74 N -7.07 3.67 0.38 1.55 1.43 -1.26 0.74 118.68 118.12 2dk3 s LEU 74 Ca -0.03 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2dk3 s LEU 74 Cb 0.08 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 44.11 2dk3 s LEU 74 CO 0.87 -0.14 0.72 -1.59 0.23 0.00 0.00 176.35 176.44 2dk3 s LYS 75 N -3.87 2.19 0.44 1.70 -2.85 -0.02 -4.68 119.74 112.64 2dk3 s LYS 75 Ca 0.35 -1.54 -0.23 0.00 -1.00 0.00 0.00 55.97 53.55 2dk3 s LYS 75 Cb -0.07 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.21 2dk3 s LYS 75 CO 0.25 -1.00 1.13 -0.51 0.10 0.00 0.00 175.35 175.32 2dk3 s LEU 76 N -3.12 4.07 0.64 2.77 1.43 -1.26 -0.21 118.68 123.00 2dk3 s LEU 76 Ca 0.19 2.23 -0.14 0.00 -1.03 0.00 0.00 54.13 55.39 2dk3 s LEU 76 Cb -0.04 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 41.96 2dk3 s LEU 76 CO 0.14 -0.77 1.06 0.00 0.23 0.00 0.00 176.35 177.01 2dk3 s ALA 77 N -1.56 2.68 -1.11 4.21 0.00 -1.23 -4.33 121.76 120.42 2dk3 s ALA 77 Ca 0.61 0.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 2dk3 s ALA 77 Cb -0.27 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 2dk3 s ALA 77 CO 0.33 -1.03 1.94 -1.25 0.00 0.00 0.00 175.76 175.75 2dk3 s PRO 78 N -4.46 2.51 0.00 0.00 0.04 -1.26 -2.49 135.00 129.34 2dk3 s PRO 78 Ca 0.62 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2dk3 s PRO 78 Cb -0.16 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2dk3 s PRO 78 CO 0.44 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 174.07 2dk3 n GLY 79 N 6.09 1.56 3.19 0.56 0.00 -1.26 -5.14 105.19 110.19 2dk3 n GLY 79 Ca 0.44 0.00 -0.32 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 -1.56 2.52 -0.14 1.61 6.14 -1.04 -5.03 117.35 119.85 2dk3 s TYR 80 Ca 0.00 -1.10 -0.15 0.00 0.64 0.00 0.00 57.07 56.47 2dk3 s TYR 80 Cb 0.00 -1.70 -0.05 0.00 0.42 0.00 0.00 41.96 40.63 2dk3 s TYR 80 CO 0.00 -0.46 -0.28 0.43 0.64 0.00 0.00 175.55 175.88 2dk3 n SER 81 N 3.69 1.57 0.00 4.32 7.64 -1.26 -4.81 113.62 124.76 2dk3 n SER 81 Ca -0.19 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2dk3 n SER 81 Cb 0.53 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2dk3 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk3 n GLY 82 N 1.47 -0.44 3.77 0.23 0.00 -1.26 -5.07 105.19 103.90 2dk3 n GLY 82 Ca -0.11 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 4.30 -0.34 1.61 0.04 -1.26 -5.02 135.00 132.33 2dk3 s PRO 83 Ca 0.00 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 2dk3 s PRO 83 Cb 0.00 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.65 2dk3 s PRO 83 CO 0.00 -0.15 0.09 0.45 0.04 0.00 0.00 177.00 177.42 2dk3 s SER 84 N -0.80 5.12 0.14 6.66 0.15 -1.26 -5.09 113.70 118.63 2dk3 s SER 84 Ca 0.51 -1.42 -0.30 0.00 0.70 0.00 0.00 55.95 55.44 2dk3 s SER 84 Cb -0.35 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.10 2dk3 s SER 84 CO 0.45 -0.36 1.15 -0.55 1.20 0.00 0.00 173.24 175.14 2dk3 s SER 85 N 1.46 7.16 0.00 5.45 0.15 -1.26 -5.34 113.70 121.33 2dk3 s SER 85 Ca -0.01 2.11 0.00 0.00 0.70 0.00 0.00 55.95 58.75 2dk3 s SER 85 Cb -0.21 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2dk3 s SER 85 CO -0.01 -0.34 0.20 0.61 1.20 0.00 0.00 173.24 174.91