#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk4 s SER 2 N 0.00 0.22 0.34 1.61 0.01 -1.26 -5.07 113.70 109.54 2dk4 s SER 2 Ca 0.00 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2dk4 s SER 2 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2dk4 s SER 2 CO 0.00 -0.79 0.00 -0.24 0.41 0.00 0.00 173.24 172.62 2dk4 n SER 3 N -0.16 -1.76 -3.57 2.44 2.88 -1.26 -5.15 113.62 107.04 2dk4 n SER 3 Ca -0.04 0.61 -0.12 0.00 -1.33 0.00 0.00 58.87 57.99 2dk4 n SER 3 Cb 0.64 1.78 -0.06 0.00 -0.75 0.00 0.00 64.21 65.82 2dk4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk4 s GLY 4 N -3.72 -0.34 -0.42 0.46 0.00 -1.26 -5.12 107.32 96.93 2dk4 s GLY 4 Ca 0.00 1.92 0.04 0.00 0.00 0.00 0.00 44.72 46.68 2dk4 s GLY 4 CO 0.00 1.10 0.42 -0.56 0.00 0.00 0.00 173.10 174.06 2dk4 s SER 5 N -0.97 0.88 0.43 1.64 0.01 -1.26 -4.94 113.70 109.48 2dk4 s SER 5 Ca -0.03 -2.30 0.00 0.00 1.31 0.00 0.00 55.95 54.93 2dk4 s SER 5 Cb -0.01 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2dk4 s SER 5 CO 0.03 -0.18 0.00 -0.24 0.41 0.00 0.00 173.24 173.26 2dk4 n SER 6 N 3.36 -3.47 0.00 2.44 2.88 -1.26 -5.18 113.62 112.39 2dk4 n SER 6 Ca 0.21 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2dk4 n SER 6 Cb 0.48 3.27 0.00 0.00 -0.75 0.00 0.00 64.21 67.21 2dk4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk4 n GLY 7 N -0.99 2.78 2.06 0.46 0.00 -1.26 -5.10 105.19 103.15 2dk4 n GLY 7 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2dk4 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dk4 n THR 8 N 0.68 0.00 -2.92 2.61 -1.04 -1.26 -5.11 114.28 107.25 2dk4 n THR 8 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2dk4 n THR 8 Cb 0.00 -0.32 0.01 0.00 -1.82 0.00 0.00 70.33 68.20 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2dk4 n SER 9 N -3.41 -7.71 -3.56 8.00 2.88 -1.26 -5.05 113.62 103.51 2dk4 n SER 9 Ca 0.00 0.48 -0.06 0.00 -1.33 0.00 0.00 58.87 57.96 2dk4 n SER 9 Cb 0.00 -5.01 -0.02 0.00 -0.75 0.00 0.00 64.21 58.43 2dk4 n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk4 s SER 10 N -2.47 -0.28 0.05 -3.46 0.15 -1.26 -5.13 113.70 101.30 2dk4 s SER 10 Ca 0.26 -0.08 -0.38 0.00 0.70 0.00 0.00 55.95 56.45 2dk4 s SER 10 Cb -0.07 0.35 -0.18 0.00 -1.71 0.00 0.00 66.02 64.41 2dk4 s SER 10 CO 0.78 -0.59 1.17 0.59 1.20 0.00 0.00 173.24 176.38 2dk4 n ASN 11 N -0.27 0.68 0.02 5.45 3.02 -1.26 -4.86 115.26 118.04 2dk4 n ASN 11 Ca -0.07 1.14 -0.19 0.00 -0.03 0.00 0.00 54.58 55.43 2dk4 n ASN 11 Cb 0.61 -1.04 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 2dk4 n ASN 11 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2dk4 h PRO 12 N 3.58 0.74 -7.08 3.52 0.13 -1.99 -3.46 132.00 127.44 2dk4 h PRO 12 Ca -0.49 -0.72 -0.61 0.00 -0.87 0.00 0.00 66.00 63.31 2dk4 h PRO 12 Cb 1.39 0.18 -0.32 0.00 0.13 0.00 0.00 31.00 32.39 2dk4 h PRO 12 CO 0.70 1.30 -0.91 1.55 -0.23 0.00 0.00 178.00 180.42 2dk4 n VAL 13 N -3.89 -0.46 -3.64 1.56 3.14 -1.26 -4.88 118.33 108.91 2dk4 n VAL 13 Ca -0.10 -0.10 -0.04 0.00 -2.96 0.00 0.00 64.34 61.14 2dk4 n VAL 13 Cb 0.83 -0.87 -0.06 0.00 -1.06 0.00 0.00 33.84 32.68 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2dk4 s LEU 14 N -7.27 -1.00 0.18 6.55 1.98 -1.26 -5.14 118.68 112.73 2dk4 s LEU 14 Ca 0.65 1.49 0.00 0.00 -2.89 0.00 0.00 54.13 53.39 2dk4 s LEU 14 Cb -0.38 2.31 0.00 0.00 0.66 0.00 0.00 46.19 48.78 2dk4 s LEU 14 CO 1.00 -0.22 0.00 1.21 -1.89 0.00 0.00 176.35 176.45 2dk4 n GLU 15 N 4.76 -0.99 -3.46 1.98 4.07 -1.26 -4.98 120.64 120.76 2dk4 n GLU 15 Ca -0.16 0.81 -0.18 0.00 -0.06 0.00 0.00 57.16 57.56 2dk4 n GLU 15 Cb 0.55 -1.13 -0.12 0.00 -0.06 0.00 0.00 31.44 30.68 2dk4 n GLU 15 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dk4 s LEU 16 N -4.80 -0.12 0.30 4.31 1.43 -1.26 -5.07 118.68 113.48 2dk4 s LEU 16 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2dk4 s LEU 16 Cb 0.00 0.39 0.00 0.00 0.03 0.00 0.00 46.19 46.61 2dk4 s LEU 16 CO 0.00 -0.36 0.00 -0.62 0.23 0.00 0.00 176.35 175.60 2dk4 n GLU 17 N 5.31 -4.67 -0.30 1.70 4.71 -1.26 -5.10 120.64 121.04 2dk4 n GLU 17 Ca -0.04 3.37 0.00 0.00 -0.01 0.00 0.00 57.16 60.47 2dk4 n GLU 17 Cb 0.48 -3.67 0.00 0.00 -1.01 0.00 0.00 31.44 27.24 2dk4 n GLU 17 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2dk4 n LEU 18 N 0.70 0.00 -2.51 -4.62 4.77 -1.26 -5.00 117.00 109.08 2dk4 n LEU 18 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2dk4 n LEU 18 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2dk4 n LEU 18 CO 0.00 0.00 1.50 0.00 -1.33 0.00 0.00 177.39 177.56 2dk4 n ALA 19 N -3.00 6.26 -3.64 -1.18 0.00 -1.26 -4.74 120.51 112.95 2dk4 n ALA 19 Ca 0.00 -3.24 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 2dk4 n ALA 19 Cb 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.38 2dk4 n ALA 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2dk4 s GLU 20 N -2.81 0.62 0.00 0.00 2.56 -1.26 -4.81 118.70 113.01 2dk4 s GLU 20 Ca 0.54 -1.09 0.10 0.00 0.00 0.00 0.00 54.97 54.51 2dk4 s GLU 20 Cb 0.40 -1.70 0.22 0.00 2.00 0.00 0.00 34.13 35.05 2dk4 s GLU 20 CO -0.22 -1.05 1.12 -0.85 -0.56 0.00 0.00 175.26 173.69 2dk4 n GLU 21 N 4.65 2.23 0.00 4.30 0.28 -1.26 -5.01 120.64 125.83 2dk4 n GLU 21 Ca 0.01 -1.75 0.00 0.00 -0.16 0.00 0.00 57.16 55.25 2dk4 n GLU 21 Cb 0.40 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 32.05 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2dk4 n LYS 22 N 0.44 -0.09 -1.35 3.44 4.81 -1.26 -4.86 118.16 119.29 2dk4 n LYS 22 Ca 0.09 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.69 2dk4 n LYS 22 Cb 0.36 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.34 2dk4 n LYS 22 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dk4 n LEU 23 N 0.00 -0.88 0.00 3.14 4.77 -1.26 -4.91 117.00 117.85 2dk4 n LEU 23 Ca 0.00 2.05 0.00 0.00 -0.03 0.00 0.00 56.01 58.03 2dk4 n LEU 23 Cb 0.00 -3.37 0.00 0.00 -2.33 0.00 0.00 43.42 37.72 2dk4 n LEU 23 CO 0.00 -2.14 0.00 -0.81 -1.33 0.00 0.00 177.39 173.11 2dk4 n PRO 24 N -4.17 -0.08 -1.48 3.23 -0.04 -1.26 -4.80 135.00 126.41 2dk4 n PRO 24 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 2dk4 n PRO 24 Cb 0.63 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.99 2dk4 n PRO 24 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2dk4 n MET 25 N -0.90 0.50 -0.04 0.54 1.56 -1.26 -4.74 117.12 112.78 2dk4 n MET 25 Ca 0.00 0.06 -0.15 0.00 -0.27 0.00 0.00 57.70 57.34 2dk4 n MET 25 Cb 0.00 -2.22 -0.14 0.00 2.15 0.00 0.00 33.22 33.01 2dk4 n MET 25 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2dk4 n THR 26 N 7.48 1.63 -3.78 1.12 -2.24 -1.26 -4.82 114.28 112.41 2dk4 n THR 26 Ca 0.52 -0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 2dk4 n THR 26 Cb 0.20 -1.27 -0.13 0.00 -2.10 0.00 0.00 70.33 67.03 2dk4 n THR 26 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dk4 s LEU 27 N -6.42 3.49 0.89 3.22 1.43 -1.26 -5.02 118.68 115.00 2dk4 s LEU 27 Ca -0.16 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2dk4 s LEU 27 Cb 0.07 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.54 2dk4 s LEU 27 CO 0.77 -0.08 1.11 -0.44 0.23 0.00 0.00 176.35 177.94 2dk4 s SER 28 N 1.56 3.66 0.21 2.29 0.01 -1.26 -4.56 113.70 115.61 2dk4 s SER 28 Ca 0.05 1.18 -0.20 0.00 1.31 0.00 0.00 55.95 58.29 2dk4 s SER 28 Cb -0.16 -1.83 0.18 0.00 0.21 0.00 0.00 66.02 64.42 2dk4 s SER 28 CO 0.02 -2.48 1.53 -2.11 0.41 0.00 0.00 173.24 170.61 2dk4 n ARG 29 N -3.75 -0.27 -0.16 12.44 -4.01 -1.26 0.86 116.66 120.51 2dk4 n ARG 29 Ca 0.06 1.51 -0.05 0.00 -1.04 0.00 0.00 57.85 58.34 2dk4 n ARG 29 Cb 0.57 -2.24 0.04 0.00 -3.04 0.00 0.00 32.46 27.79 2dk4 n ARG 29 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 2dk4 h GLN 30 N 0.00 0.52 0.00 2.89 4.15 -1.97 1.50 115.11 122.20 2dk4 h GLN 30 Ca 0.31 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 2dk4 h GLN 30 Cb 0.55 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 2dk4 h GLN 30 CO -0.97 0.34 -0.04 1.49 -1.93 0.00 0.00 178.83 177.72 2dk4 h GLU 31 N 0.53 0.00 0.02 1.69 4.57 0.16 0.44 114.58 121.99 2dk4 h GLU 31 Ca 0.21 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.08 2dk4 h GLU 31 Cb 0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 2dk4 h GLU 31 CO -0.13 0.04 -1.85 0.28 -1.18 0.00 0.00 179.01 176.18 2dk4 n VAL 32 N -3.69 1.60 -0.07 0.32 0.31 0.25 -4.04 118.33 113.01 2dk4 n VAL 32 Ca -0.02 -0.78 -0.13 0.00 -0.01 0.00 0.00 64.34 63.39 2dk4 n VAL 32 Cb 0.14 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 2dk4 n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dk4 h ILE 33 N 0.01 1.33 -0.35 2.52 2.04 0.32 -1.88 117.51 121.50 2dk4 h ILE 33 Ca -0.34 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.16 2dk4 h ILE 33 Cb 2.05 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 39.86 2dk4 h ILE 33 CO 0.07 0.42 -0.41 -0.09 0.00 0.00 0.00 178.15 178.15 2dk4 h ARG 34 N 0.16 -0.24 0.62 2.37 9.65 -0.33 1.16 114.38 127.77 2dk4 h ARG 34 Ca 0.03 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2dk4 h ARG 34 Cb 0.77 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2dk4 h ARG 34 CO 0.05 -0.16 -0.37 0.00 2.80 0.00 0.00 179.97 182.29 2dk4 h ARG 35 N -0.25 -0.89 -0.98 0.20 3.08 -1.70 -0.97 114.38 112.86 2dk4 h ARG 35 Ca 0.06 0.06 0.26 0.00 0.07 0.00 0.00 59.98 60.43 2dk4 h ARG 35 Cb 0.42 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.49 2dk4 h ARG 35 CO -0.46 -0.59 0.00 -0.07 -1.07 0.00 0.00 179.97 177.78 2dk4 h LEU 36 N -0.92 -0.51 0.52 3.04 3.38 -1.03 0.68 115.31 120.47 2dk4 h LEU 36 Ca -0.08 0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2dk4 h LEU 36 Cb 0.73 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2dk4 h LEU 36 CO 0.09 -0.35 -0.40 0.03 0.09 0.00 0.00 178.44 177.91 2dk4 h ARG 37 N 0.01 -0.86 0.00 1.13 3.08 0.18 0.70 114.38 118.63 2dk4 h ARG 37 Ca 0.59 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.69 2dk4 h ARG 37 Cb 1.18 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2dk4 h ARG 37 CO -0.93 -0.57 0.13 0.93 -1.07 0.00 0.00 179.97 178.46 2dk4 h GLU 38 N -0.89 0.00 0.00 0.04 5.08 0.73 0.91 114.58 120.45 2dk4 h GLU 38 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2dk4 h GLU 38 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2dk4 h GLU 38 CO 0.02 0.00 -0.90 0.54 -1.00 0.00 0.00 179.01 177.67 2dk4 n ARG 39 N -2.58 0.30 -0.78 2.33 5.12 0.21 -4.94 116.66 116.32 2dk4 n ARG 39 Ca -0.02 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2dk4 n ARG 39 Cb 0.17 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 2dk4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dk4 n GLY 40 N 1.35 0.61 3.85 -0.13 0.00 0.31 -5.03 105.19 106.16 2dk4 n GLY 40 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2dk4 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk4 s GLU 41 N -0.22 3.79 -0.22 1.61 0.41 0.20 -4.97 118.70 119.30 2dk4 s GLU 41 Ca 0.00 0.88 -0.29 0.00 -0.41 0.00 0.00 54.97 55.15 2dk4 s GLU 41 Cb 0.00 -2.11 -0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2dk4 s GLU 41 CO 0.00 -0.40 1.31 -1.25 -0.49 0.00 0.00 175.26 174.42 2dk4 s PRO 42 N -4.50 4.08 0.62 0.39 0.04 -1.26 -4.26 135.00 130.11 2dk4 s PRO 42 Ca 0.57 1.51 0.34 0.00 0.04 0.00 0.00 61.00 63.46 2dk4 s PRO 42 Cb -0.10 -3.83 1.94 0.00 0.04 0.00 0.00 34.50 32.55 2dk4 s PRO 42 CO 0.40 -0.91 2.21 -0.84 0.04 0.00 0.00 177.00 177.91 2dk4 h ILE 43 N 5.72 0.30 -1.89 0.56 3.07 -1.93 -3.37 117.51 119.97 2dk4 h ILE 43 Ca -0.27 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.05 2dk4 h ILE 43 Cb 1.11 0.92 -0.28 0.00 -0.27 0.00 0.00 36.82 38.30 2dk4 h ILE 43 CO 1.00 0.00 -0.41 -0.60 -1.05 0.00 0.00 178.15 177.09 2dk4 s ARG 44 N -4.44 0.38 0.16 0.16 6.06 -1.26 -4.95 118.95 115.07 2dk4 s ARG 44 Ca -0.05 0.75 -0.03 0.00 -2.50 0.00 0.00 55.73 53.90 2dk4 s ARG 44 Cb 0.14 -0.10 0.04 0.00 0.06 0.00 0.00 34.95 35.09 2dk4 s ARG 44 CO 0.48 -0.54 0.17 1.28 -2.50 0.00 0.00 175.30 174.19 2dk4 n LEU 45 N 5.38 0.00 -3.73 -0.88 4.77 -1.26 -4.90 117.00 116.39 2dk4 n LEU 45 Ca -0.05 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 2dk4 n LEU 45 Cb 0.50 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2dk4 n LEU 45 CO 0.04 -0.93 2.29 0.33 -1.33 0.00 0.00 177.39 177.79 2dk4 n PHE 46 N -2.58 2.95 0.00 -1.77 7.35 -1.26 -3.95 117.46 118.21 2dk4 n PHE 46 Ca 0.02 -2.85 0.00 0.00 -0.76 0.00 0.00 57.45 53.86 2dk4 n PHE 46 Cb 0.08 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 37.82 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2dk4 n GLY 47 N 2.94 0.87 3.50 7.13 0.00 -1.26 -5.16 105.19 113.21 2dk4 n GLY 47 Ca 0.49 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 2dk4 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk4 s GLU 48 N 0.07 1.72 0.40 1.61 2.02 -1.25 -5.11 118.70 118.15 2dk4 s GLU 48 Ca 0.00 -1.87 0.04 0.00 0.02 0.00 0.00 54.97 53.15 2dk4 s GLU 48 Cb 0.00 -1.56 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 2dk4 s GLU 48 CO 0.00 0.14 0.12 -0.08 0.02 0.00 0.00 175.26 175.46 2dk4 s THR 49 N -2.71 0.64 0.22 3.63 -1.32 -1.26 -4.87 115.64 109.97 2dk4 s THR 49 Ca 0.31 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.71 2dk4 s THR 49 Cb 0.02 -2.40 0.20 0.00 -1.51 0.00 0.00 72.50 68.81 2dk4 s THR 49 CO 0.15 0.00 1.69 0.44 -2.21 0.00 0.00 174.62 174.69 2dk4 h ASP 50 N 1.84 -0.05 0.72 8.08 3.32 -1.97 0.46 116.42 128.82 2dk4 h ASP 50 Ca -0.36 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 2dk4 h ASP 50 Cb 1.27 0.19 0.01 0.00 0.22 0.00 0.00 39.33 41.02 2dk4 h ASP 50 CO 0.58 -0.03 -0.35 0.22 -1.72 0.00 0.00 179.24 177.94 2dk4 h TYR 51 N 0.24 -0.90 -0.53 4.55 3.20 -1.97 0.94 116.97 122.50 2dk4 h TYR 51 Ca 0.36 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.30 2dk4 h TYR 51 Cb 0.57 0.30 -0.11 0.00 1.54 0.00 0.00 36.73 39.04 2dk4 h TYR 51 CO -0.28 -0.56 -0.37 0.22 -1.64 0.00 0.00 178.16 175.54 2dk4 h ASP 52 N -1.04 -1.25 -0.25 -2.11 1.82 -1.83 1.54 116.42 113.29 2dk4 h ASP 52 Ca -0.10 0.22 0.02 0.00 -0.39 0.00 0.00 57.03 56.79 2dk4 h ASP 52 Cb 0.74 0.59 -0.02 0.00 0.68 0.00 0.00 39.33 41.32 2dk4 h ASP 52 CO 0.16 -0.32 0.10 0.00 -1.61 0.00 0.00 179.24 177.57 2dk4 h ALA 53 N 0.80 0.29 0.62 -0.78 0.00 -0.07 0.20 119.26 120.33 2dk4 h ALA 53 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dk4 h ALA 53 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dk4 h ALA 53 CO -0.64 -0.30 -0.46 0.35 0.00 0.00 0.00 179.25 178.19 2dk4 h PHE 54 N 0.23 -1.26 -0.56 0.00 3.57 0.36 -1.40 116.94 117.88 2dk4 h PHE 54 Ca 0.11 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.71 2dk4 h PHE 54 Cb 0.05 0.47 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 2dk4 h PHE 54 CO -0.11 -0.66 0.02 1.96 -2.23 0.00 0.00 178.31 177.29 2dk4 h GLN 55 N -1.04 0.14 -0.21 1.11 1.08 0.22 0.90 115.11 117.30 2dk4 h GLN 55 Ca -0.08 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2dk4 h GLN 55 Cb 0.86 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.19 2dk4 h GLN 55 CO 0.03 0.09 -0.53 -0.09 -0.95 0.00 0.00 178.83 177.38 2dk4 h ARG 56 N 0.14 -0.51 0.05 1.46 2.43 -0.34 0.14 114.38 117.76 2dk4 h ARG 56 Ca 0.29 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2dk4 h ARG 56 Cb 0.44 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2dk4 h ARG 56 CO -0.45 -0.34 -0.03 1.25 -1.51 0.00 0.00 179.97 178.89 2dk4 h LEU 57 N -0.53 -0.06 -1.43 3.80 7.12 -0.48 -0.04 115.31 123.68 2dk4 h LEU 57 Ca 0.05 -0.12 0.21 0.00 0.13 0.00 0.00 57.88 58.15 2dk4 h LEU 57 Cb 0.66 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.77 2dk4 h LEU 57 CO -0.48 0.08 0.88 -0.09 -0.13 0.00 0.00 178.44 178.70 2dk4 h ARG 58 N -0.20 0.00 0.06 1.25 1.12 0.15 1.63 114.38 118.39 2dk4 h ARG 58 Ca -0.01 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.52 2dk4 h ARG 58 Cb 0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.10 2dk4 h ARG 58 CO 0.01 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 176.05 2dk4 n LYS 59 N -3.40 0.70 -0.14 0.20 4.81 0.44 -4.06 118.16 116.72 2dk4 n LYS 59 Ca 0.16 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.75 2dk4 n LYS 59 Cb 1.12 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 34.47 2dk4 n LYS 59 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2dk4 h ILE 60 N 0.03 1.14 -0.44 3.15 2.04 0.40 -0.78 117.51 123.06 2dk4 h ILE 60 Ca -0.41 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.26 2dk4 h ILE 60 Cb 2.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 2dk4 h ILE 60 CO 0.06 0.14 0.40 -0.33 0.00 0.00 0.00 178.15 178.42 2dk4 h GLU 61 N 0.54 0.00 0.15 2.37 4.39 -0.61 0.30 114.58 121.73 2dk4 h GLU 61 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2dk4 h GLU 61 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2dk4 h GLU 61 CO -0.03 0.00 -0.07 0.82 -1.16 0.00 0.00 179.01 178.57 2dk4 h ILE 62 N 0.00 0.25 0.17 3.13 2.04 -1.32 -2.77 117.51 119.02 2dk4 h ILE 62 Ca 0.21 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2dk4 h ILE 62 Cb 1.00 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2dk4 h ILE 62 CO -0.00 0.08 -0.23 -0.07 0.00 0.00 0.00 178.15 177.93 2dk4 h LEU 63 N -1.03 -0.64 -7.53 1.44 3.38 -0.46 -3.36 115.31 107.12 2dk4 h LEU 63 Ca -0.02 0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.34 2dk4 h LEU 63 Cb 0.28 0.22 -0.38 0.00 0.09 0.00 0.00 40.66 40.86 2dk4 h LEU 63 CO 0.03 -0.28 -0.54 -0.89 0.09 0.00 0.00 178.44 176.85 2dk4 s THR 64 N -4.23 3.00 -0.04 0.22 2.01 0.98 -4.74 115.64 112.84 2dk4 s THR 64 Ca -0.08 -2.94 -0.24 0.00 0.31 0.00 0.00 61.69 58.74 2dk4 s THR 64 Cb 0.02 -3.04 -0.23 0.00 0.01 0.00 0.00 72.50 69.26 2dk4 s THR 64 CO 0.26 -0.79 1.06 1.55 -0.69 0.00 0.00 174.62 176.02 2dk4 h PRO 65 N 6.98 0.17 -0.81 4.92 0.13 -1.64 -3.38 132.00 138.36 2dk4 h PRO 65 Ca -0.06 -0.16 -0.11 0.00 -0.87 0.00 0.00 66.00 64.80 2dk4 h PRO 65 Cb 0.94 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 31.96 2dk4 h PRO 65 CO 0.68 0.88 -0.41 -1.21 -0.23 0.00 0.00 178.00 177.71 2dk4 s GLU 66 N -3.27 0.88 -0.13 0.86 2.02 -1.26 -4.99 118.70 112.81 2dk4 s GLU 66 Ca -0.16 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 53.86 2dk4 s GLU 66 Cb 0.01 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.22 2dk4 s GLU 66 CO 0.74 -1.08 0.18 0.28 0.02 0.00 0.00 175.26 175.39 2dk4 n VAL 67 N 2.87 -2.89 -3.14 2.63 0.31 -1.26 -4.98 118.33 111.87 2dk4 n VAL 67 Ca 0.16 0.44 0.01 0.00 -0.01 0.00 0.00 64.34 64.94 2dk4 n VAL 67 Cb 0.58 -3.30 -0.01 0.00 -0.91 0.00 0.00 33.84 30.20 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2dk4 s ASN 68 N -1.15 -1.37 0.31 4.52 2.47 -1.26 -5.14 114.94 113.32 2dk4 s ASN 68 Ca 0.10 -0.71 -0.26 0.00 0.42 0.00 0.00 52.86 52.41 2dk4 s ASN 68 Cb -0.01 1.75 -0.14 0.00 -1.45 0.00 0.00 41.25 41.40 2dk4 s ASN 68 CO 0.26 -0.15 0.72 2.29 -3.72 0.00 0.00 177.10 176.50 2dk4 n LYS 69 N 4.29 0.73 0.00 0.43 0.00 -1.26 -4.87 118.16 117.48 2dk4 n LYS 69 Ca 0.10 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 2dk4 n LYS 69 Cb 0.58 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 2dk4 n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dk4 n GLY 70 N 1.62 4.49 3.56 2.58 0.00 -1.26 -5.10 105.19 111.07 2dk4 n GLY 70 Ca 0.12 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 2dk4 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk4 s SER 71 N 0.00 6.14 0.84 1.61 0.01 -1.26 -4.87 113.70 116.17 2dk4 s SER 71 Ca 0.00 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.97 2dk4 s SER 71 Cb 0.00 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 64.07 2dk4 s SER 71 CO 0.00 -0.25 0.59 0.61 0.41 0.00 0.00 173.24 174.60 2dk4 n GLY 72 N 4.96 -1.49 3.78 3.44 0.00 -1.26 -4.98 105.19 109.64 2dk4 n GLY 72 Ca -0.11 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2dk4 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk4 s PRO 73 N -3.38 0.92 -1.11 1.61 0.04 -1.26 -4.96 135.00 126.85 2dk4 s PRO 73 Ca 0.63 0.20 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 2dk4 s PRO 73 Cb -0.28 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.62 2dk4 s PRO 73 CO 0.61 -2.33 1.29 -1.54 0.04 0.00 0.00 177.00 175.06 2dk4 s SER 74 N -4.09 6.99 0.43 6.66 1.04 -1.26 -4.89 113.70 118.58 2dk4 s SER 74 Ca 0.65 -2.84 0.00 0.00 0.48 0.00 0.00 55.95 54.24 2dk4 s SER 74 Cb -0.13 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2dk4 s SER 74 CO 0.53 -0.75 0.00 -0.24 0.98 0.00 0.00 173.24 173.76 2dk4 n SER 75 N 5.39 -6.04 -0.02 7.02 2.88 -1.26 -5.32 113.62 116.27 2dk4 n SER 75 Ca 0.31 1.31 0.16 0.00 -1.33 0.00 0.00 58.87 59.32 2dk4 n SER 75 Cb 0.44 -3.43 0.94 0.00 -0.75 0.00 0.00 64.21 61.40 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42