#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 2.07 0.25 1.61 0.15 -1.26 -4.96 113.70 111.56 2dk4 s SER 2 Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2dk4 s SER 2 Cb 0.00 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2dk4 s SER 2 CO 0.00 -0.30 0.00 -1.20 1.20 0.00 0.00 173.24 172.94 2dk4 n SER 3 N 5.23 -1.46 0.00 5.45 7.64 -1.26 -5.15 113.62 124.08 2dk4 n SER 3 Ca -0.06 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2dk4 n SER 3 Cb 0.49 1.51 0.00 0.00 -1.01 0.00 0.00 64.21 65.20 2dk4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk4 n GLY 4 N 0.05 0.57 1.19 0.23 0.00 -1.26 -5.11 105.19 100.85 2dk4 n GLY 4 Ca 0.00 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 45.00 2dk4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk4 n SER 5 N 0.00 -7.15 -1.52 1.61 7.64 -1.26 -5.03 113.62 107.92 2dk4 n SER 5 Ca 0.00 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2dk4 n SER 5 Cb 0.00 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 2dk4 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk4 n SER 6 N -4.00 -8.16 -4.52 6.43 7.64 -1.26 -5.01 113.62 104.74 2dk4 n SER 6 Ca -0.03 1.15 -0.25 0.00 1.01 0.00 0.00 58.87 60.75 2dk4 n SER 6 Cb 0.56 -4.28 0.13 0.00 -1.01 0.00 0.00 64.21 59.61 2dk4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk4 s GLY 7 N -2.75 1.76 -0.46 0.23 0.00 -1.26 -5.08 107.32 99.77 2dk4 s GLY 7 Ca 0.00 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.01 2dk4 s GLY 7 CO 0.00 -1.10 0.35 -0.51 0.00 0.00 0.00 173.10 171.85 2dk4 s THR 8 N -3.32 0.79 -0.32 0.90 -4.23 -1.26 -4.98 115.64 103.23 2dk4 s THR 8 Ca 0.69 -2.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 2dk4 s THR 8 Cb -0.04 -1.55 0.21 0.00 1.34 0.00 0.00 72.50 72.46 2dk4 s THR 8 CO 0.47 -1.17 1.14 -0.55 -0.54 0.00 0.00 174.62 173.97 2dk4 s SER 9 N -0.12 -0.12 0.00 3.99 0.15 -1.26 -5.14 113.70 111.20 2dk4 s SER 9 Ca 0.30 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2dk4 s SER 9 Cb -0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2dk4 s SER 9 CO -0.17 -0.01 0.00 -1.54 1.20 0.00 0.00 173.24 172.72 2dk4 n SER 10 N 2.86 0.00 -4.59 5.45 3.41 -1.26 -5.14 113.62 114.35 2dk4 n SER 10 Ca 0.09 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.24 2dk4 n SER 10 Cb 0.66 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 2dk4 n SER 10 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dk4 n ASN 11 N 0.00 1.30 -2.80 4.04 4.13 -1.26 -4.76 115.26 115.91 2dk4 n ASN 11 Ca 0.00 1.17 -0.21 0.00 1.68 0.00 0.00 54.58 57.22 2dk4 n ASN 11 Cb 0.00 -1.27 -0.06 0.00 -1.54 0.00 0.00 39.78 36.91 2dk4 n ASN 11 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2dk4 n PRO 12 N 0.98 2.27 -2.98 3.52 -0.04 -1.26 -4.28 135.00 133.22 2dk4 n PRO 12 Ca 0.11 -1.37 -0.16 0.00 -0.04 0.00 0.00 63.50 62.04 2dk4 n PRO 12 Cb 0.30 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.44 2dk4 n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dk4 n VAL 13 N 3.42 -0.34 -3.51 0.52 0.31 -1.26 -5.09 118.33 112.38 2dk4 n VAL 13 Ca 0.49 -2.85 0.01 0.00 -0.01 0.00 0.00 64.34 61.97 2dk4 n VAL 13 Cb 0.37 -0.23 -0.05 0.00 -0.91 0.00 0.00 33.84 33.02 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2dk4 s LEU 14 N -1.09 -0.39 -0.37 7.52 1.98 -1.26 -5.07 118.68 120.00 2dk4 s LEU 14 Ca 0.33 0.58 0.06 0.00 -2.89 0.00 0.00 54.13 52.21 2dk4 s LEU 14 Cb 0.21 1.50 0.27 0.00 0.66 0.00 0.00 46.19 48.83 2dk4 s LEU 14 CO -0.17 -0.09 1.23 -1.84 -1.89 0.00 0.00 176.35 173.60 2dk4 n GLU 15 N 4.09 0.74 0.00 1.98 0.00 -1.26 -4.85 120.64 121.33 2dk4 n GLU 15 Ca -0.14 -1.36 0.00 0.00 0.00 0.00 0.00 57.16 55.66 2dk4 n GLU 15 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 31.44 31.81 2dk4 n GLU 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 2dk4 n LEU 16 N -0.32 0.00 -2.72 -1.84 -0.00 -1.26 -4.79 117.00 106.07 2dk4 n LEU 16 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.87 2dk4 n LEU 16 Cb 0.75 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.14 2dk4 n LEU 16 CO -0.08 0.00 -0.52 -0.62 -0.00 0.00 0.00 177.39 176.18 2dk4 n GLU 17 N 0.00 -3.81 -1.86 1.47 1.02 -1.26 -4.98 120.64 111.22 2dk4 n GLU 17 Ca 0.00 2.93 -0.30 0.00 -0.02 0.00 0.00 57.16 59.77 2dk4 n GLU 17 Cb 0.00 -4.07 0.16 0.00 -0.02 0.00 0.00 31.44 27.52 2dk4 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dk4 s LEU 18 N -0.54 2.53 -0.50 -4.62 1.43 -1.26 -5.04 118.68 110.68 2dk4 s LEU 18 Ca -0.22 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2dk4 s LEU 18 Cb 0.01 -2.61 0.24 0.00 0.03 0.00 0.00 46.19 43.87 2dk4 s LEU 18 CO 0.61 -2.58 0.58 0.00 0.23 0.00 0.00 176.35 175.19 2dk4 n ALA 19 N -3.70 3.10 -3.00 4.21 0.00 -1.26 -5.07 120.51 114.78 2dk4 n ALA 19 Ca 0.13 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.65 2dk4 n ALA 19 Cb 0.60 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2dk4 n ALA 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2dk4 n GLU 20 N 1.36 0.00 0.00 0.00 0.28 -1.26 -4.79 120.64 116.24 2dk4 n GLU 20 Ca 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 2dk4 n GLU 20 Cb 0.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.34 2dk4 n GLU 20 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2dk4 n GLU 21 N 0.00 0.00 -1.00 3.44 2.13 -1.26 -4.93 120.64 119.02 2dk4 n GLU 21 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2dk4 n GLU 21 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2dk4 n LYS 22 N 0.00 -1.86 -3.76 5.31 4.81 -1.26 -5.00 118.16 116.40 2dk4 n LYS 22 Ca 0.00 1.32 -0.10 0.00 -0.87 0.00 0.00 58.31 58.67 2dk4 n LYS 22 Cb 0.00 -2.36 -0.05 0.00 0.02 0.00 0.00 35.03 32.64 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dk4 s LEU 23 N -5.22 0.46 -0.77 3.14 1.43 -1.26 -5.10 118.68 111.36 2dk4 s LEU 23 Ca 0.00 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.33 2dk4 s LEU 23 Cb 0.00 1.77 0.00 0.00 0.03 0.00 0.00 46.19 48.00 2dk4 s LEU 23 CO 0.00 -0.93 1.61 -2.16 0.23 0.00 0.00 176.35 175.09 2dk4 s PRO 24 N -3.87 2.97 -0.08 1.29 0.04 -1.26 -4.46 135.00 129.63 2dk4 s PRO 24 Ca 0.08 -0.12 -0.06 0.00 0.04 0.00 0.00 61.00 60.95 2dk4 s PRO 24 Cb 0.01 -4.59 0.02 0.00 0.04 0.00 0.00 34.50 29.99 2dk4 s PRO 24 CO -0.06 -2.55 0.11 -1.33 0.04 0.00 0.00 177.00 173.22 2dk4 n MET 25 N 9.15 -2.87 0.00 4.56 2.81 -1.26 -4.96 117.12 124.55 2dk4 n MET 25 Ca 0.20 2.28 0.00 0.00 -1.81 0.00 0.00 57.70 58.37 2dk4 n MET 25 Cb 0.50 -2.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.18 2dk4 n MET 25 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2dk4 n THR 26 N 2.14 0.10 -4.20 2.03 -2.24 -1.26 -5.02 114.28 105.83 2dk4 n THR 26 Ca -0.19 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.01 2dk4 n THR 26 Cb 0.30 1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.10 1.71 0.65 3.22 1.43 -1.26 -5.13 118.68 119.20 2dk4 s LEU 27 Ca 0.00 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2dk4 s LEU 27 Cb 0.00 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.87 2dk4 s LEU 27 CO 0.00 0.02 0.97 -0.44 0.23 0.00 0.00 176.35 177.14 2dk4 s SER 28 N 0.30 5.29 0.13 2.29 0.01 -1.26 -4.77 113.70 115.70 2dk4 s SER 28 Ca -0.04 0.69 -0.25 0.00 1.31 0.00 0.00 55.95 57.67 2dk4 s SER 28 Cb -0.08 -1.54 -0.06 0.00 0.21 0.00 0.00 66.02 64.56 2dk4 s SER 28 CO -0.00 -1.30 1.38 -1.14 0.41 0.00 0.00 173.24 172.60 2dk4 n ARG 29 N -2.77 -0.35 -0.17 12.44 0.63 -1.26 0.47 116.66 125.64 2dk4 n ARG 29 Ca 0.06 1.36 -0.02 0.00 -0.92 0.00 0.00 57.85 58.33 2dk4 n ARG 29 Cb 0.59 -2.00 0.08 0.00 0.45 0.00 0.00 32.46 31.57 2dk4 n ARG 29 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2dk4 h GLN 30 N 0.00 0.29 -0.13 -0.14 5.75 -1.97 1.38 115.11 120.29 2dk4 h GLN 30 Ca 0.13 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 2dk4 h GLN 30 Cb 0.33 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2dk4 h GLN 30 CO -0.75 0.19 0.17 1.49 -2.65 0.00 0.00 178.83 177.27 2dk4 h GLU 31 N 0.29 0.00 0.02 1.69 4.57 -0.33 0.90 114.58 121.73 2dk4 h GLU 31 Ca 0.27 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.11 2dk4 h GLU 31 Cb 0.35 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 2dk4 h GLU 31 CO -0.32 0.00 -2.04 0.28 -1.18 0.00 0.00 179.01 175.76 2dk4 n VAL 32 N -3.70 1.57 -0.07 0.32 0.31 0.15 -4.00 118.33 112.91 2dk4 n VAL 32 Ca 0.00 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.46 2dk4 n VAL 32 Cb 0.27 -1.04 0.04 0.00 -0.91 0.00 0.00 33.84 32.20 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 1.29 0.00 2.52 2.04 0.37 -2.62 117.51 121.12 2dk4 h ILE 33 Ca -0.42 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 63.86 2dk4 h ILE 33 Cb 2.07 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 2dk4 h ILE 33 CO 0.05 0.51 0.00 -1.14 0.00 0.00 0.00 178.15 177.57 2dk4 n ARG 34 N -4.04 0.00 -0.08 2.37 3.00 0.29 0.30 116.66 118.51 2dk4 n ARG 34 Ca -0.02 0.51 -0.06 0.00 -0.00 0.00 0.00 57.85 58.28 2dk4 n ARG 34 Cb 0.54 -1.36 -0.04 0.00 0.00 0.00 0.00 32.46 31.60 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dk4 h ARG 35 N 0.00 -0.15 -0.99 -0.14 3.08 -1.69 0.60 114.38 115.08 2dk4 h ARG 35 Ca 0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.21 2dk4 h ARG 35 Cb 0.00 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 29.93 2dk4 h ARG 35 CO 0.00 -0.10 -0.41 1.28 -1.07 0.00 0.00 179.97 179.67 2dk4 n LEU 36 N -3.88 -0.70 0.28 3.04 4.77 -0.99 0.19 117.00 119.72 2dk4 n LEU 36 Ca -0.01 1.74 -0.18 0.00 -0.03 0.00 0.00 56.01 57.52 2dk4 n LEU 36 Cb 0.14 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 2dk4 n LEU 36 CO -0.01 -1.54 0.52 0.03 -1.33 0.00 0.00 177.39 175.07 2dk4 h ARG 37 N 0.00 -0.95 -0.81 3.23 3.08 0.14 1.61 114.38 120.68 2dk4 h ARG 37 Ca 0.32 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.58 2dk4 h ARG 37 Cb 0.57 0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.74 2dk4 h ARG 37 CO -0.98 -0.64 0.38 0.93 -1.07 0.00 0.00 179.97 178.59 2dk4 h GLU 38 N -0.99 0.52 -0.30 0.04 5.08 0.28 0.15 114.58 119.36 2dk4 h GLU 38 Ca -0.06 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2dk4 h GLU 38 Cb 0.87 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2dk4 h GLU 38 CO -0.09 0.35 -0.27 0.00 -1.00 0.00 0.00 179.01 177.99 2dk4 h ARG 39 N 0.54 0.61 0.00 2.33 3.08 0.28 -3.47 114.38 117.75 2dk4 h ARG 39 Ca 0.44 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2dk4 h ARG 39 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2dk4 h ARG 39 CO -0.38 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 2dk4 n GLY 40 N -0.25 0.84 3.62 0.04 0.00 0.48 -5.06 105.19 104.87 2dk4 n GLY 40 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.33 2.11 -0.24 1.61 0.41 0.25 -4.98 118.70 118.18 2dk4 s GLU 41 Ca 0.00 -1.64 -0.29 0.00 -0.41 0.00 0.00 54.97 52.62 2dk4 s GLU 41 Cb 0.00 -1.99 -0.01 0.00 -1.78 0.00 0.00 34.13 30.35 2dk4 s GLU 41 CO 0.00 0.22 1.32 -1.25 -0.49 0.00 0.00 175.26 175.06 2dk4 s PRO 42 N -3.69 4.01 0.49 0.39 0.04 -1.26 -4.21 135.00 130.76 2dk4 s PRO 42 Ca 0.34 1.43 0.16 0.00 0.04 0.00 0.00 61.00 62.97 2dk4 s PRO 42 Cb -0.03 -3.86 1.19 0.00 0.04 0.00 0.00 34.50 31.84 2dk4 s PRO 42 CO 0.19 -1.00 2.08 -0.84 0.04 0.00 0.00 177.00 177.48 2dk4 h ILE 43 N 5.82 0.96 -2.62 0.56 3.07 -1.93 -3.34 117.51 120.03 2dk4 h ILE 43 Ca -0.27 -0.05 -0.54 0.00 1.55 0.00 0.00 64.86 65.55 2dk4 h ILE 43 Cb 1.11 0.79 -0.39 0.00 -0.27 0.00 0.00 36.82 38.06 2dk4 h ILE 43 CO 1.01 0.03 -0.80 -0.60 -1.05 0.00 0.00 178.15 176.74 2dk4 s ARG 44 N -5.18 0.38 0.00 0.16 6.06 -1.26 -4.94 118.95 114.17 2dk4 s ARG 44 Ca -0.06 -0.89 0.00 0.00 -2.50 0.00 0.00 55.73 52.28 2dk4 s ARG 44 Cb 0.18 -1.17 0.00 0.00 0.06 0.00 0.00 34.95 34.01 2dk4 s ARG 44 CO 0.70 -1.12 0.01 1.28 -2.50 0.00 0.00 175.30 173.67 2dk4 n LEU 45 N 4.65 0.00 -2.92 -0.88 4.77 -1.26 -4.79 117.00 116.58 2dk4 n LEU 45 Ca 0.03 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 2dk4 n LEU 45 Cb 0.40 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2dk4 n LEU 45 CO 0.09 0.00 0.04 0.12 -1.33 0.00 0.00 177.39 176.30 2dk4 s PHE 46 N -0.01 -1.13 0.00 -1.77 5.36 -1.26 -4.89 117.98 114.27 2dk4 s PHE 46 Ca 0.00 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 2dk4 s PHE 46 Cb 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 2dk4 s PHE 46 CO 0.00 -1.19 0.00 0.41 -1.46 0.00 0.00 175.22 172.98 2dk4 n GLY 47 N 3.07 0.68 3.67 13.12 0.00 -1.26 -5.03 105.19 119.44 2dk4 n GLY 47 Ca 0.19 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.97 4.25 0.00 1.61 2.02 -1.26 -5.02 118.70 119.33 2dk4 s GLU 48 Ca 0.00 1.73 0.00 0.00 0.02 0.00 0.00 54.97 56.72 2dk4 s GLU 48 Cb 0.00 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2dk4 s GLU 48 CO 0.00 -0.67 0.00 0.25 0.02 0.00 0.00 175.26 174.86 2dk4 n THR 49 N 5.21 0.00 0.19 3.63 -2.24 -1.26 -4.58 114.28 115.23 2dk4 n THR 49 Ca 0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 2dk4 n THR 49 Cb 0.45 -1.01 0.32 0.00 -2.10 0.00 0.00 70.33 67.99 2dk4 n THR 49 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2dk4 h ASP 50 N -0.84 0.00 0.37 3.42 1.82 -1.98 -1.65 116.42 117.54 2dk4 h ASP 50 Ca 0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 2dk4 h ASP 50 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 2dk4 h ASP 50 CO 0.00 0.33 -1.85 0.00 -1.61 0.00 0.00 179.24 176.11 2dk4 n TYR 51 N -3.40 0.92 -0.09 0.28 4.19 -1.26 -2.74 117.16 115.07 2dk4 n TYR 51 Ca 0.00 0.30 -0.13 0.00 3.31 0.00 0.00 57.90 61.39 2dk4 n TYR 51 Cb 0.52 -1.16 -0.04 0.00 0.49 0.00 0.00 39.34 39.15 2dk4 n TYR 51 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 2dk4 h ASP 52 N 0.01 0.63 0.79 2.98 1.82 -1.87 0.68 116.42 121.47 2dk4 h ASP 52 Ca -0.34 -0.44 -0.11 0.00 -0.39 0.00 0.00 57.03 55.75 2dk4 h ASP 52 Cb 2.04 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.86 2dk4 h ASP 52 CO 0.07 0.93 -0.52 0.00 -1.61 0.00 0.00 179.24 178.11 2dk4 h ALA 53 N 0.72 0.94 0.13 -0.78 0.00 -1.46 -3.09 119.26 115.71 2dk4 h ALA 53 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2dk4 h ALA 53 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2dk4 h ALA 53 CO 0.05 0.65 -0.06 0.35 0.00 0.00 0.00 179.25 180.23 2dk4 h PHE 54 N 0.00 -0.16 -1.72 0.00 3.57 -1.31 -2.77 116.94 114.55 2dk4 h PHE 54 Ca -0.01 -0.00 0.52 0.00 3.53 0.00 0.00 57.97 62.01 2dk4 h PHE 54 Cb 1.05 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.75 2dk4 h PHE 54 CO 0.00 -0.10 1.21 1.96 -2.23 0.00 0.00 178.31 179.14 2dk4 h GLN 55 N -0.33 0.01 0.69 1.11 1.08 -0.97 0.64 115.11 117.34 2dk4 h GLN 55 Ca -0.02 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2dk4 h GLN 55 Cb 0.13 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2dk4 h GLN 55 CO 0.03 0.01 -0.33 -0.09 -0.95 0.00 0.00 178.83 177.50 2dk4 h ARG 56 N 0.01 -0.89 0.09 1.46 2.43 -1.54 -2.54 114.38 113.41 2dk4 h ARG 56 Ca 0.88 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 60.11 2dk4 h ARG 56 Cb 3.32 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 33.07 2dk4 h ARG 56 CO -0.14 -0.58 -0.05 1.25 -1.51 0.00 0.00 179.97 178.94 2dk4 h LEU 57 N -1.22 -0.11 -1.44 3.80 7.12 0.15 0.34 115.31 123.95 2dk4 h LEU 57 Ca -0.09 -0.07 0.21 0.00 0.13 0.00 0.00 57.88 58.05 2dk4 h LEU 57 Cb 0.72 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.85 2dk4 h LEU 57 CO 0.16 -0.00 0.87 -0.09 -0.13 0.00 0.00 178.44 179.24 2dk4 h ARG 58 N -0.21 0.00 0.06 1.25 1.12 -0.07 1.63 114.38 118.16 2dk4 h ARG 58 Ca -0.01 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.51 2dk4 h ARG 58 Cb 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.09 2dk4 h ARG 58 CO 0.02 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 176.07 2dk4 n LYS 59 N -3.39 0.70 -0.10 0.20 4.81 -0.57 -4.11 118.16 115.69 2dk4 n LYS 59 Ca 0.15 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.74 2dk4 n LYS 59 Cb 1.10 -1.70 -0.02 0.00 0.02 0.00 0.00 35.03 34.43 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 -0.99 3.15 2.04 0.42 -1.61 117.51 121.69 2dk4 h ILE 60 Ca -0.40 -0.37 0.27 0.00 1.00 0.00 0.00 64.86 65.36 2dk4 h ILE 60 Cb 2.03 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 2dk4 h ILE 60 CO 0.06 0.14 0.69 -0.33 0.00 0.00 0.00 178.15 178.72 2dk4 h GLU 61 N 0.39 0.12 0.47 2.37 4.39 -0.54 0.10 114.58 121.88 2dk4 h GLU 61 Ca 0.11 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2dk4 h GLU 61 Cb 0.07 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2dk4 h GLU 61 CO -0.02 0.08 -0.23 0.82 -1.16 0.00 0.00 179.01 178.51 2dk4 h ILE 62 N 0.12 0.33 -0.07 3.13 2.04 -1.45 -1.15 117.51 120.46 2dk4 h ILE 62 Ca 0.49 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2dk4 h ILE 62 Cb 1.73 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2dk4 h ILE 62 CO -0.08 0.06 -0.37 -0.07 0.00 0.00 0.00 178.15 177.69 2dk4 h LEU 63 N -1.02 -1.16 -7.41 1.44 3.38 -0.79 -3.33 115.31 106.42 2dk4 h LEU 63 Ca -0.06 0.14 -0.64 0.00 0.09 0.00 0.00 57.88 57.40 2dk4 h LEU 63 Cb 0.58 0.45 -0.41 0.00 0.09 0.00 0.00 40.66 41.37 2dk4 h LEU 63 CO 0.11 -0.33 -0.65 -0.89 0.09 0.00 0.00 178.44 176.76 2dk4 s THR 64 N -4.83 2.46 0.03 0.22 2.01 -0.31 -4.63 115.64 110.59 2dk4 s THR 64 Ca -0.10 -3.10 -0.18 0.00 0.31 0.00 0.00 61.69 58.61 2dk4 s THR 64 Cb 0.05 -2.73 -0.22 0.00 0.01 0.00 0.00 72.50 69.62 2dk4 s THR 64 CO 0.41 -0.77 1.16 1.55 -0.69 0.00 0.00 174.62 176.28 2dk4 h PRO 65 N 6.71 0.50 -3.54 4.92 0.13 -1.32 -3.40 132.00 135.99 2dk4 h PRO 65 Ca -0.07 -0.48 -0.15 0.00 -0.87 0.00 0.00 66.00 64.42 2dk4 h PRO 65 Cb 0.92 0.13 -0.22 0.00 0.13 0.00 0.00 31.00 31.96 2dk4 h PRO 65 CO 0.65 1.12 -0.52 -2.00 -0.23 0.00 0.00 178.00 177.02 2dk4 s GLU 66 N -3.38 0.42 0.02 0.86 2.12 -1.26 -5.04 118.70 112.44 2dk4 s GLU 66 Ca -0.13 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 54.71 2dk4 s GLU 66 Cb 0.05 0.17 -0.32 0.00 0.26 0.00 0.00 34.13 34.29 2dk4 s GLU 66 CO 0.84 -0.09 1.02 -0.24 -0.54 0.00 0.00 175.26 176.25 2dk4 h VAL 67 N 4.41 1.33 -1.75 3.70 3.04 -2.02 -3.45 116.25 121.51 2dk4 h VAL 67 Ca -0.30 -2.55 -0.65 0.00 -1.01 0.00 0.00 66.70 62.19 2dk4 h VAL 67 Cb 1.20 2.92 0.01 0.00 -2.01 0.00 0.00 31.29 33.41 2dk4 h VAL 67 CO 0.41 0.76 1.17 -3.20 -1.01 0.00 0.00 177.57 175.70 2dk4 n ASN 68 N -3.84 2.99 -4.63 3.17 2.85 -1.26 -4.78 115.26 109.76 2dk4 n ASN 68 Ca -0.15 0.81 -0.58 0.00 -0.11 0.00 0.00 54.58 54.56 2dk4 n ASN 68 Cb 1.00 -1.32 -0.07 0.00 1.24 0.00 0.00 39.78 40.62 2dk4 n ASN 68 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2dk4 n LYS 69 N 6.94 0.70 0.00 1.20 4.81 -1.26 -4.88 118.16 125.66 2dk4 n LYS 69 Ca 0.28 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 2dk4 n LYS 69 Cb 0.26 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.46 2dk4 n LYS 69 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dk4 n GLY 70 N 3.01 2.50 0.09 3.14 0.00 -1.26 -5.08 105.19 107.58 2dk4 n GLY 70 Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2dk4 n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk4 n SER 71 N 0.00 1.89 0.00 1.61 2.88 -1.26 -5.02 113.62 113.71 2dk4 n SER 71 Ca 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2dk4 n SER 71 Cb 0.00 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2dk4 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk4 n GLY 72 N 1.51 3.41 3.78 0.46 0.00 -1.26 -5.16 105.19 107.93 2dk4 n GLY 72 Ca -0.14 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.15 0.31 -0.49 1.61 0.04 -1.26 -5.04 135.00 128.02 2dk4 s PRO 73 Ca 0.00 -0.03 0.03 0.00 0.04 0.00 0.00 61.00 61.04 2dk4 s PRO 73 Cb 0.00 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.90 2dk4 s PRO 73 CO 0.00 -2.70 0.26 0.45 0.04 0.00 0.00 177.00 175.05 2dk4 s SER 74 N -4.26 3.99 0.19 6.66 0.15 -1.26 -5.08 113.70 114.10 2dk4 s SER 74 Ca 0.69 -2.86 -0.09 0.00 0.70 0.00 0.00 55.95 54.39 2dk4 s SER 74 Cb -0.10 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 2dk4 s SER 74 CO 0.54 -0.24 0.31 -0.94 1.20 0.00 0.00 173.24 174.11 2dk4 s SER 75 N -0.02 0.02 0.00 5.45 1.04 -1.26 -4.86 113.70 114.07 2dk4 s SER 75 Ca 0.18 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2dk4 s SER 75 Cb -0.24 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2dk4 s SER 75 CO -0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88