#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 -0.39 0.07 1.61 0.15 -1.26 -5.08 113.70 108.80 2dk4 s SER 2 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2dk4 s SER 2 Cb 0.00 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 2dk4 s SER 2 CO 0.00 -0.07 0.00 -1.20 1.20 0.00 0.00 173.24 173.17 2dk4 n SER 3 N 5.06 0.69 -1.49 5.45 7.64 -1.26 -5.14 113.62 124.58 2dk4 n SER 3 Ca -0.08 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dk4 n SER 3 Cb 0.54 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 3.39 -4.69 0.00 0.23 0.00 -1.26 -5.10 105.19 97.75 2dk4 n GLY 4 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2dk4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk4 n SER 5 N 1.14 0.00 -3.63 1.61 3.41 -1.26 -5.18 113.62 109.71 2dk4 n SER 5 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2dk4 n SER 5 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2dk4 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dk4 s SER 6 N 0.00 -0.21 0.00 4.04 0.15 -1.26 -5.16 113.70 111.26 2dk4 s SER 6 Ca 0.00 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2dk4 s SER 6 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2dk4 s SER 6 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dk4 n GLY 7 N 1.40 2.30 3.15 9.45 0.00 -1.26 -5.13 105.19 115.10 2dk4 n GLY 7 Ca -0.09 -1.38 0.06 0.00 0.00 0.00 0.00 46.02 44.60 2dk4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dk4 s THR 8 N -0.06 -0.24 -0.24 2.61 -1.32 -1.26 -5.17 115.64 109.95 2dk4 s THR 8 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 2dk4 s THR 8 Cb 0.00 -0.51 0.15 0.00 -1.51 0.00 0.00 72.50 70.64 2dk4 s THR 8 CO 0.00 0.00 1.18 -0.94 -2.21 0.00 0.00 174.62 172.65 2dk4 s SER 9 N 2.96 -0.25 0.00 8.08 1.04 -1.26 -5.17 113.70 119.10 2dk4 s SER 9 Ca 0.17 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2dk4 s SER 9 Cb -0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2dk4 s SER 9 CO -0.18 -0.16 0.00 -0.24 0.98 0.00 0.00 173.24 173.63 2dk4 n SER 10 N 1.20 0.00 0.00 7.02 2.88 -1.26 -5.14 113.62 118.33 2dk4 n SER 10 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2dk4 n SER 10 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2dk4 n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dk4 n ASN 11 N 0.00 0.00 -0.01 -3.46 5.15 -1.26 -5.05 115.26 110.62 2dk4 n ASN 11 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 2dk4 n ASN 11 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2dk4 n ASN 11 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2dk4 h PRO 12 N 0.00 0.38 -1.86 1.20 0.13 -2.10 -3.49 132.00 126.25 2dk4 h PRO 12 Ca 0.00 -0.37 0.21 0.00 -0.87 0.00 0.00 66.00 64.97 2dk4 h PRO 12 Cb 0.00 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.17 2dk4 h PRO 12 CO 0.00 1.03 -0.33 1.55 -0.23 0.00 0.00 178.00 180.03 2dk4 n VAL 13 N -4.30 0.00 -1.23 1.56 3.14 -1.26 -4.99 118.33 111.25 2dk4 n VAL 13 Ca -0.09 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2dk4 n VAL 13 Cb 0.61 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 2dk4 n VAL 13 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2dk4 n LEU 14 N -2.68 0.00 0.00 6.55 4.32 -1.26 -5.18 117.00 118.75 2dk4 n LEU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2dk4 n LEU 14 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2dk4 n LEU 14 CO 0.01 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.39 2dk4 n GLU 15 N 0.00 0.00 0.00 3.23 2.13 -1.26 -5.16 120.64 119.58 2dk4 n GLU 15 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2dk4 n GLU 15 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2dk4 n GLU 15 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2dk4 n LEU 16 N 0.00 0.00 -2.96 4.31 -0.00 -1.26 -4.98 117.00 112.11 2dk4 n LEU 16 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2dk4 n LEU 16 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2dk4 n LEU 16 CO 0.00 0.00 -0.35 -0.62 -0.00 0.00 0.00 177.39 176.42 2dk4 n GLU 17 N 0.00 -2.01 -4.28 1.47 1.02 -1.26 -5.01 120.64 110.57 2dk4 n GLU 17 Ca 0.00 1.79 -0.20 0.00 -0.02 0.00 0.00 57.16 58.73 2dk4 n GLU 17 Cb 0.00 -2.41 -0.11 0.00 -0.02 0.00 0.00 31.44 28.89 2dk4 n GLU 17 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dk4 s LEU 18 N -0.67 2.40 -0.32 -4.62 0.20 -1.26 -5.11 118.68 109.31 2dk4 s LEU 18 Ca -0.06 -0.81 -0.09 0.00 0.69 0.00 0.00 54.13 53.86 2dk4 s LEU 18 Cb 0.00 -0.69 0.19 0.00 -0.43 0.00 0.00 46.19 45.26 2dk4 s LEU 18 CO 0.28 -0.08 1.02 0.00 -0.29 0.00 0.00 176.35 177.28 2dk4 s ALA 19 N -1.98 -4.23 -0.75 5.97 0.00 -1.26 -5.05 121.76 114.46 2dk4 s ALA 19 Ca 0.11 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.32 2dk4 s ALA 19 Cb -0.06 -2.96 0.36 0.00 0.00 0.00 0.00 23.12 20.47 2dk4 s ALA 19 CO 0.04 -2.38 1.66 -1.91 0.00 0.00 0.00 175.76 173.18 2dk4 n GLU 20 N 4.09 3.41 -1.11 0.00 4.07 -1.26 -4.72 120.64 125.12 2dk4 n GLU 20 Ca 0.07 -4.09 -0.25 0.00 -0.06 0.00 0.00 57.16 52.83 2dk4 n GLU 20 Cb 0.62 -2.29 0.11 0.00 -0.06 0.00 0.00 31.44 29.81 2dk4 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2dk4 n GLU 21 N -0.42 2.23 -4.14 5.31 1.02 -1.26 -4.91 120.64 118.48 2dk4 n GLU 21 Ca 0.47 -2.64 -0.23 0.00 -0.02 0.00 0.00 57.16 54.74 2dk4 n GLU 21 Cb 0.36 -2.03 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2dk4 n LYS 22 N -0.69 0.66 -1.00 3.49 4.81 -1.26 -5.10 118.16 119.06 2dk4 n LYS 22 Ca 0.51 -3.06 0.13 0.00 -0.87 0.00 0.00 58.31 55.03 2dk4 n LYS 22 Cb 1.05 1.56 -0.05 0.00 0.02 0.00 0.00 35.03 37.60 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2dk4 n LEU 23 N 0.00 -0.64 0.00 3.14 7.94 -1.26 -4.94 117.00 121.25 2dk4 n LEU 23 Ca -0.07 1.46 -0.11 0.00 -1.11 0.00 0.00 56.01 56.19 2dk4 n LEU 23 Cb 0.54 -2.96 0.09 0.00 0.53 0.00 0.00 43.42 41.61 2dk4 n LEU 23 CO 0.29 -1.94 0.29 -0.81 -1.11 0.00 0.00 177.39 174.10 2dk4 n PRO 24 N -3.73 -1.15 -1.52 1.96 -0.04 -1.26 -4.85 135.00 124.42 2dk4 n PRO 24 Ca -0.04 -0.73 -0.43 0.00 -0.04 0.00 0.00 63.50 62.27 2dk4 n PRO 24 Cb 0.47 -0.57 -0.06 0.00 -0.04 0.00 0.00 33.50 33.29 2dk4 n PRO 24 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2dk4 n MET 25 N -2.42 1.03 -0.04 0.54 2.81 -1.26 -4.79 117.12 112.99 2dk4 n MET 25 Ca 0.06 0.17 -0.19 0.00 -1.81 0.00 0.00 57.70 55.94 2dk4 n MET 25 Cb 0.22 -2.80 -0.13 0.00 -0.71 0.00 0.00 33.22 29.80 2dk4 n MET 25 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2dk4 h THR 26 N 7.48 1.37 -3.55 2.03 1.35 -1.92 -3.43 112.91 116.23 2dk4 h THR 26 Ca -0.25 -2.36 -0.70 0.00 -0.55 0.00 0.00 66.41 62.55 2dk4 h THR 26 Cb 1.29 2.95 -0.19 0.00 -1.73 0.00 0.00 68.15 70.46 2dk4 h THR 26 CO 1.12 0.59 -0.33 -0.76 -0.25 0.00 0.00 175.52 175.89 2dk4 s LEU 27 N -7.92 4.88 1.01 3.87 1.43 -1.26 -5.06 118.68 115.62 2dk4 s LEU 27 Ca -0.20 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 2dk4 s LEU 27 Cb 0.01 -2.27 0.20 0.00 0.03 0.00 0.00 46.19 44.16 2dk4 s LEU 27 CO 0.71 -0.47 1.08 -0.44 0.23 0.00 0.00 176.35 177.46 2dk4 s SER 28 N 1.74 2.43 0.09 2.29 0.01 -1.26 -4.54 113.70 114.46 2dk4 s SER 28 Ca 0.09 1.42 -0.17 0.00 1.31 0.00 0.00 55.95 58.59 2dk4 s SER 28 Cb -0.18 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2dk4 s SER 28 CO 0.12 -3.28 1.22 -2.11 0.41 0.00 0.00 173.24 169.60 2dk4 n ARG 29 N -4.30 -0.24 -0.24 12.44 -4.01 -1.26 0.71 116.66 119.75 2dk4 n ARG 29 Ca 0.05 1.21 0.05 0.00 -1.04 0.00 0.00 57.85 58.12 2dk4 n ARG 29 Cb 0.56 -1.79 0.18 0.00 -3.04 0.00 0.00 32.46 28.36 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 0.28 -0.05 2.89 4.15 -1.97 1.61 115.11 122.02 2dk4 h GLN 30 Ca 0.09 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.51 2dk4 h GLN 30 Cb 0.22 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2dk4 h GLN 30 CO -0.51 0.18 0.07 1.49 -1.93 0.00 0.00 178.83 178.13 2dk4 h GLU 31 N 0.29 0.00 0.02 1.69 4.57 -0.02 0.70 114.58 121.83 2dk4 h GLU 31 Ca 0.41 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.24 2dk4 h GLU 31 Cb 0.68 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 2dk4 h GLU 31 CO -0.49 0.00 -2.09 0.28 -1.18 0.00 0.00 179.01 175.53 2dk4 n VAL 32 N -3.67 1.55 -0.05 0.32 0.31 0.33 -4.02 118.33 113.10 2dk4 n VAL 32 Ca -0.02 -0.76 -0.08 0.00 -0.01 0.00 0.00 64.34 63.48 2dk4 n VAL 32 Cb 0.16 -1.03 0.09 0.00 -0.91 0.00 0.00 33.84 32.16 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 1.28 0.02 2.52 2.04 0.34 -2.03 117.51 121.70 2dk4 h ILE 33 Ca -0.44 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 2dk4 h ILE 33 Cb 2.08 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2dk4 h ILE 33 CO 0.04 0.47 -0.02 -0.09 0.00 0.00 0.00 178.15 178.55 2dk4 h ARG 34 N 0.57 -0.04 0.05 2.37 2.43 0.18 0.24 114.38 120.18 2dk4 h ARG 34 Ca 0.06 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2dk4 h ARG 34 Cb 0.84 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 2dk4 h ARG 34 CO 0.07 -0.03 -0.41 0.00 -1.51 0.00 0.00 179.97 178.09 2dk4 h ARG 35 N -0.04 -0.53 -0.45 0.20 3.08 -1.70 0.83 114.38 115.76 2dk4 h ARG 35 Ca -0.00 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2dk4 h ARG 35 Cb 0.03 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 2dk4 h ARG 35 CO -0.00 -0.36 -0.27 1.28 -1.07 0.00 0.00 179.97 179.55 2dk4 n LEU 36 N -4.77 -0.48 -0.24 3.04 4.77 -0.76 0.82 117.00 119.38 2dk4 n LEU 36 Ca -0.06 1.33 -0.04 0.00 -0.03 0.00 0.00 56.01 57.21 2dk4 n LEU 36 Cb 0.31 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2dk4 n LEU 36 CO 0.11 -0.92 0.62 0.03 -1.33 0.00 0.00 177.39 175.90 2dk4 h ARG 37 N 0.00 -0.13 -0.92 3.23 3.08 -0.20 0.86 114.38 120.30 2dk4 h ARG 37 Ca 0.07 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.27 2dk4 h ARG 37 Cb 0.19 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 2dk4 h ARG 37 CO -0.43 -0.09 0.59 0.93 -1.07 0.00 0.00 179.97 179.91 2dk4 h GLU 38 N -0.13 0.73 0.00 0.04 4.39 0.20 0.66 114.58 120.47 2dk4 h GLU 38 Ca 0.25 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2dk4 h GLU 38 Cb 0.56 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2dk4 h GLU 38 CO -0.74 0.48 0.00 0.00 -1.16 0.00 0.00 179.01 177.60 2dk4 h ARG 39 N 0.76 0.00 0.00 2.33 3.08 0.68 -3.46 114.38 117.76 2dk4 h ARG 39 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2dk4 h ARG 39 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2dk4 h ARG 39 CO -0.23 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.08 2dk4 n GLY 40 N 0.74 0.73 3.87 0.04 0.00 0.23 -5.06 105.19 105.74 2dk4 n GLY 40 Ca 0.03 -0.02 -0.31 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 -0.49 3.75 -0.18 1.61 0.41 -0.42 -4.95 118.70 118.44 2dk4 s GLU 41 Ca 0.00 0.69 -0.29 0.00 -0.41 0.00 0.00 54.97 54.96 2dk4 s GLU 41 Cb 0.00 -2.20 -0.01 0.00 -1.78 0.00 0.00 34.13 30.14 2dk4 s GLU 41 CO 0.00 -0.32 1.28 -1.25 -0.49 0.00 0.00 175.26 174.48 2dk4 s PRO 42 N -4.49 4.19 0.40 0.39 0.04 -1.26 -3.98 135.00 130.29 2dk4 s PRO 42 Ca 0.55 1.63 0.13 0.00 0.04 0.00 0.00 61.00 63.35 2dk4 s PRO 42 Cb -0.10 -3.79 0.95 0.00 0.04 0.00 0.00 34.50 31.59 2dk4 s PRO 42 CO 0.41 -0.76 1.90 -0.84 0.04 0.00 0.00 177.00 177.75 2dk4 h ILE 43 N 5.55 0.82 -3.15 0.56 3.07 -1.93 -3.35 117.51 119.08 2dk4 h ILE 43 Ca -0.27 -0.19 -0.53 0.00 1.55 0.00 0.00 64.86 65.43 2dk4 h ILE 43 Cb 1.10 0.23 -0.40 0.00 -0.27 0.00 0.00 36.82 37.48 2dk4 h ILE 43 CO 0.98 0.10 -0.76 -0.60 -1.05 0.00 0.00 178.15 176.81 2dk4 s ARG 44 N -5.53 0.53 0.00 0.16 6.06 -1.26 -4.93 118.95 113.98 2dk4 s ARG 44 Ca -0.09 -0.54 0.00 0.00 -2.50 0.00 0.00 55.73 52.60 2dk4 s ARG 44 Cb 0.21 -1.91 0.00 0.00 0.06 0.00 0.00 34.95 33.32 2dk4 s ARG 44 CO 0.78 -0.78 0.23 1.28 -2.50 0.00 0.00 175.30 174.31 2dk4 n LEU 45 N 5.06 1.55 -3.15 -0.88 4.32 -1.26 -4.97 117.00 117.68 2dk4 n LEU 45 Ca -0.07 0.26 0.05 0.00 -0.02 0.00 0.00 56.01 56.23 2dk4 n LEU 45 Cb 0.45 -0.05 -0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2dk4 n LEU 45 CO 0.11 -0.05 0.37 0.12 -1.22 0.00 0.00 177.39 176.72 2dk4 s PHE 46 N -0.56 -1.01 0.00 -1.77 2.19 -1.26 -4.93 117.98 110.64 2dk4 s PHE 46 Ca 0.00 0.70 0.00 0.00 0.33 0.00 0.00 56.93 57.96 2dk4 s PHE 46 Cb 0.00 0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.92 2dk4 s PHE 46 CO 0.00 -0.58 0.00 0.41 1.83 0.00 0.00 175.22 176.88 2dk4 n GLY 47 N 5.29 2.79 3.42 13.12 0.00 -1.26 -4.96 105.19 123.60 2dk4 n GLY 47 Ca 0.04 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 2dk4 n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dk4 n GLU 48 N -0.21 0.19 -1.63 1.61 1.02 -1.26 -4.87 120.64 115.49 2dk4 n GLU 48 Ca 0.00 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 2dk4 n GLU 48 Cb 0.00 -1.75 0.12 0.00 -0.02 0.00 0.00 31.44 29.79 2dk4 n GLU 48 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2dk4 s THR 49 N 8.12 2.17 0.38 2.62 -1.32 -1.26 -4.29 115.64 122.06 2dk4 s THR 49 Ca 1.25 0.06 0.23 0.00 -1.21 0.00 0.00 61.69 62.02 2dk4 s THR 49 Cb -1.21 -2.87 0.38 0.00 -1.51 0.00 0.00 72.50 67.29 2dk4 s THR 49 CO 0.53 -0.07 1.52 0.47 -2.21 0.00 0.00 174.62 174.86 2dk4 n ASP 50 N -3.60 0.30 0.09 8.08 9.92 -1.26 0.89 116.55 130.97 2dk4 n ASP 50 Ca 0.07 1.54 -0.04 0.00 -0.53 0.00 0.00 54.79 55.83 2dk4 n ASP 50 Cb 0.59 -0.75 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 2dk4 n ASP 50 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2dk4 h TYR 51 N 0.00 -0.23 -0.65 1.24 5.03 -1.98 -1.41 116.97 118.96 2dk4 h TYR 51 Ca 0.83 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 62.25 2dk4 h TYR 51 Cb 2.33 0.08 -0.12 0.00 1.55 0.00 0.00 36.73 40.56 2dk4 h TYR 51 CO -0.01 -0.15 -0.31 -0.44 -1.32 0.00 0.00 178.16 175.93 2dk4 h ASP 52 N -0.53 -1.10 -0.33 -2.11 3.32 -1.26 1.11 116.42 115.52 2dk4 h ASP 52 Ca -0.03 0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.32 2dk4 h ASP 52 Cb 0.19 0.57 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 2dk4 h ASP 52 CO 0.04 -0.29 -0.10 0.00 -1.72 0.00 0.00 179.24 177.17 2dk4 h ALA 53 N 1.16 0.19 -0.79 3.45 0.00 0.39 0.18 119.26 123.84 2dk4 h ALA 53 Ca 0.26 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2dk4 h ALA 53 Cb 0.55 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2dk4 h ALA 53 CO -0.72 -0.48 0.52 0.35 0.00 0.00 0.00 179.25 178.92 2dk4 h PHE 54 N -0.02 0.98 0.74 0.00 3.57 0.70 -2.83 116.94 120.07 2dk4 h PHE 54 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2dk4 h PHE 54 Cb 0.27 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2dk4 h PHE 54 CO -0.32 0.60 -0.40 1.96 -2.23 0.00 0.00 178.31 177.92 2dk4 h GLN 55 N 1.05 -1.01 -0.60 1.11 4.20 0.24 0.17 115.11 120.27 2dk4 h GLN 55 Ca 0.30 0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.13 2dk4 h GLN 55 Cb -0.09 0.23 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 2dk4 h GLN 55 CO -0.08 -0.67 -0.35 -2.13 -0.67 0.00 0.00 178.83 174.92 2dk4 n ARG 56 N -5.55 -0.26 -0.06 1.46 0.63 0.50 -0.05 116.66 113.32 2dk4 n ARG 56 Ca -0.14 1.26 -0.07 0.00 -0.92 0.00 0.00 57.85 57.98 2dk4 n ARG 56 Cb 0.43 -1.87 -0.02 0.00 0.45 0.00 0.00 32.46 31.46 2dk4 n ARG 56 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2dk4 h LEU 57 N 0.00 -0.23 -1.43 6.15 7.12 -1.45 0.23 115.31 125.70 2dk4 h LEU 57 Ca 0.10 0.08 0.20 0.00 0.13 0.00 0.00 57.88 58.38 2dk4 h LEU 57 Cb 0.25 0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 2dk4 h LEU 57 CO -0.56 -0.08 0.86 0.03 -0.13 0.00 0.00 178.44 178.55 2dk4 h ARG 58 N 0.01 0.00 0.06 1.25 2.47 0.26 1.61 114.38 120.03 2dk4 h ARG 58 Ca 0.12 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.50 2dk4 h ARG 58 Cb 0.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2dk4 h ARG 58 CO -0.26 0.00 -1.98 1.17 0.56 0.00 0.00 179.97 179.46 2dk4 n LYS 59 N -3.38 0.70 -0.11 0.04 4.81 0.63 -3.86 118.16 116.99 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 1.09 -1.70 -0.01 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 1.13 -0.70 3.15 2.04 0.40 -1.75 117.51 121.81 2dk4 h ILE 60 Ca -0.40 -0.30 0.11 0.00 1.00 0.00 0.00 64.86 65.26 2dk4 h ILE 60 Cb 2.03 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 38.72 2dk4 h ILE 60 CO 0.06 0.13 0.30 -0.33 0.00 0.00 0.00 178.15 178.31 2dk4 h GLU 61 N 0.46 0.49 0.59 2.37 4.39 -0.67 0.92 114.58 123.12 2dk4 h GLU 61 Ca 0.13 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dk4 h GLU 61 Cb 0.02 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2dk4 h GLU 61 CO -0.02 0.32 -0.38 0.82 -1.16 0.00 0.00 179.01 178.60 2dk4 h ILE 62 N 0.50 0.24 -0.03 3.13 2.04 -1.54 -3.16 117.51 118.69 2dk4 h ILE 62 Ca 0.36 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.23 2dk4 h ILE 62 Cb 0.45 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2dk4 h ILE 62 CO -0.32 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.55 2dk4 h LEU 63 N -0.92 -0.66 -9.10 1.44 3.38 -0.65 -3.42 115.31 105.38 2dk4 h LEU 63 Ca -0.07 0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.36 2dk4 h LEU 63 Cb 0.75 0.25 0.15 0.00 0.09 0.00 0.00 40.66 41.91 2dk4 h LEU 63 CO 0.07 -0.20 -0.79 0.41 0.09 0.00 0.00 178.44 178.02 2dk4 n THR 64 N -3.67 1.00 -0.27 0.22 -1.04 0.25 -4.96 114.28 105.82 2dk4 n THR 64 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2dk4 n THR 64 Cb 0.15 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 2dk4 n THR 64 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2dk4 n PRO 65 N 1.10 0.47 -3.63 -2.82 -0.04 -1.26 -4.63 135.00 124.19 2dk4 n PRO 65 Ca 0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 2dk4 n PRO 65 Cb 0.40 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.87 2dk4 n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dk4 n GLU 66 N -0.44 -1.64 0.00 0.54 1.02 -1.26 -4.95 120.64 113.91 2dk4 n GLU 66 Ca 0.00 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 2dk4 n GLU 66 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 2dk4 n GLU 66 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2dk4 n VAL 67 N -1.63 0.00 -3.62 2.62 0.24 -1.26 -4.95 118.33 109.73 2dk4 n VAL 67 Ca -0.23 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.68 2dk4 n VAL 67 Cb 0.67 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.96 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2dk4 s ASN 68 N -1.36 5.61 -0.07 -1.34 2.47 -1.26 -5.05 114.94 113.93 2dk4 s ASN 68 Ca 0.00 -2.60 -0.36 0.00 0.42 0.00 0.00 52.86 50.31 2dk4 s ASN 68 Cb 0.00 -1.95 -0.14 0.00 -1.45 0.00 0.00 41.25 37.72 2dk4 s ASN 68 CO 0.00 -0.47 1.71 1.17 -3.72 0.00 0.00 177.10 175.79 2dk4 n LYS 69 N 3.90 1.74 0.00 0.43 4.81 -1.26 -4.38 118.16 123.40 2dk4 n LYS 69 Ca 0.06 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2dk4 n LYS 69 Cb 0.40 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.06 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 3.90 -1.28 2.20 3.14 0.00 -1.26 -5.14 105.19 106.75 2dk4 n GLY 70 Ca 0.22 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -9.36 -3.62 1.61 2.88 -1.26 -4.94 113.62 98.93 2dk4 n SER 71 Ca 0.00 1.56 -0.04 0.00 -1.33 0.00 0.00 58.87 59.06 2dk4 n SER 71 Cb 0.00 -5.25 -0.03 0.00 -0.75 0.00 0.00 64.21 58.18 2dk4 n SER 71 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk4 s GLY 72 N -0.56 -0.18 0.74 0.46 0.00 -1.26 -5.07 107.32 101.45 2dk4 s GLY 72 Ca 0.00 1.98 -0.11 0.00 0.00 0.00 0.00 44.72 46.59 2dk4 s GLY 72 CO 0.00 0.72 1.08 2.56 0.00 0.00 0.00 173.10 177.46 2dk4 s PRO 73 N -1.93 2.58 0.00 2.90 0.04 -1.26 -4.87 135.00 132.46 2dk4 s PRO 73 Ca 0.09 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2dk4 s PRO 73 Cb -0.01 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dk4 s PRO 73 CO -0.04 -1.32 0.00 -1.13 0.04 0.00 0.00 177.00 174.54 2dk4 n SER 74 N -3.26 0.00 -1.96 6.66 3.41 -1.26 -5.13 113.62 112.08 2dk4 n SER 74 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2dk4 n SER 74 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2dk4 n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dk4 n SER 75 N 0.00 -8.33 0.00 4.04 2.88 -1.26 -5.38 113.62 105.58 2dk4 n SER 75 Ca 0.00 1.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2dk4 n SER 75 Cb 0.00 -4.67 0.00 0.00 -0.75 0.00 0.00 64.21 58.79 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42