#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk4 n SER 2 N 0.00 -2.03 -4.14 1.61 2.88 -1.26 -5.14 113.62 105.54 2dk4 n SER 2 Ca 0.00 0.66 -0.37 0.00 -1.33 0.00 0.00 58.87 57.83 2dk4 n SER 2 Cb 0.00 2.12 0.04 0.00 -0.75 0.00 0.00 64.21 65.62 2dk4 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dk4 n SER 3 N -3.16 -4.68 0.00 -3.46 3.41 -1.26 -4.92 113.62 99.55 2dk4 n SER 3 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2dk4 n SER 3 Cb 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2dk4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk4 n GLY 4 N 2.93 -0.65 3.16 5.00 0.00 -1.26 -5.17 105.19 109.20 2dk4 n GLY 4 Ca 0.03 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.38 2dk4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk4 s SER 5 N 0.00 -0.05 -0.30 1.61 0.01 -1.26 -5.16 113.70 108.55 2dk4 s SER 5 Ca 0.00 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 2dk4 s SER 5 Cb 0.00 1.05 0.20 0.00 0.21 0.00 0.00 66.02 67.47 2dk4 s SER 5 CO 0.00 -0.01 1.22 -0.55 0.41 0.00 0.00 173.24 174.31 2dk4 s SER 6 N 2.44 -0.14 0.00 2.44 0.15 -1.26 -5.15 113.70 112.18 2dk4 s SER 6 Ca -0.04 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2dk4 s SER 6 Cb -0.04 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 2dk4 s SER 6 CO -0.12 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dk4 n GLY 7 N 3.73 -0.43 0.00 9.45 0.00 -1.26 -5.08 105.19 111.60 2dk4 n GLY 7 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2dk4 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dk4 n THR 8 N 0.90 0.00 -3.61 2.61 5.66 -1.26 -5.15 114.28 113.43 2dk4 n THR 8 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 2dk4 n THR 8 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dk4 s SER 9 N -0.75 -0.13 0.00 1.09 1.04 -1.26 -5.16 113.70 108.53 2dk4 s SER 9 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2dk4 s SER 9 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2dk4 s SER 9 CO 0.00 -0.36 0.00 -0.24 0.98 0.00 0.00 173.24 173.62 2dk4 n SER 10 N -0.29 0.00 -3.12 7.02 2.88 -1.26 -5.14 113.62 113.71 2dk4 n SER 10 Ca -0.04 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2dk4 n SER 10 Cb 0.61 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2dk4 n SER 10 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2dk4 s ASN 11 N 0.00 -1.25 -0.03 -3.46 0.01 -1.26 -5.04 114.94 103.91 2dk4 s ASN 11 Ca 0.00 -0.16 -0.23 0.00 -0.71 0.00 0.00 52.86 51.76 2dk4 s ASN 11 Cb 0.00 1.70 -0.22 0.00 0.41 0.00 0.00 41.25 43.14 2dk4 s ASN 11 CO 0.00 -0.19 1.08 1.55 -1.51 0.00 0.00 177.10 178.03 2dk4 h PRO 12 N 7.29 0.23 -1.86 -0.60 0.13 -2.09 -3.49 132.00 131.60 2dk4 h PRO 12 Ca -0.01 -0.22 0.21 0.00 -0.87 0.00 0.00 66.00 65.12 2dk4 h PRO 12 Cb 1.19 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2dk4 h PRO 12 CO 0.07 0.92 -0.33 1.55 -0.23 0.00 0.00 178.00 179.98 2dk4 n VAL 13 N -4.48 0.00 -2.02 1.56 3.14 -1.26 -5.01 118.33 110.27 2dk4 n VAL 13 Ca -0.09 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2dk4 n VAL 13 Cb 0.51 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2dk4 n LEU 14 N -2.68 0.00 -3.70 6.55 -0.00 -1.26 -4.98 117.00 110.93 2dk4 n LEU 14 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 2dk4 n LEU 14 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2dk4 n LEU 14 CO 0.01 0.00 -0.15 -0.62 -0.00 0.00 0.00 177.39 176.63 2dk4 n GLU 15 N 0.00 -1.43 0.00 1.96 -0.58 -1.26 -4.97 120.64 114.36 2dk4 n GLU 15 Ca 0.00 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 2dk4 n GLU 15 Cb 0.00 -2.88 0.00 0.00 -0.57 0.00 0.00 31.44 27.99 2dk4 n GLU 15 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dk4 n LEU 16 N -2.69 0.00 -3.48 -4.62 4.77 -1.26 -4.99 117.00 104.73 2dk4 n LEU 16 Ca -0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.36 2dk4 n LEU 16 Cb 0.66 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.78 2dk4 n LEU 16 CO 0.63 0.00 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.82 2dk4 n GLU 17 N 0.00 -1.94 -3.62 3.23 1.02 -1.26 -4.99 120.64 113.08 2dk4 n GLU 17 Ca 0.00 1.44 -0.07 0.00 -0.02 0.00 0.00 57.16 58.51 2dk4 n GLU 17 Cb 0.00 -2.32 -0.06 0.00 -0.02 0.00 0.00 31.44 29.04 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 -2.62 -0.26 0.00 -4.62 1.43 -1.26 -5.19 118.68 106.16 2dk4 s LEU 18 Ca 0.35 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2dk4 s LEU 18 Cb -0.04 1.54 0.01 0.00 0.03 0.00 0.00 46.19 47.74 2dk4 s LEU 18 CO 0.87 -0.15 0.21 0.00 0.23 0.00 0.00 176.35 177.51 2dk4 n ALA 19 N 1.33 -0.39 -1.74 4.21 0.00 -1.26 -5.02 120.51 117.64 2dk4 n ALA 19 Ca -0.09 -0.43 -0.00 0.00 0.00 0.00 0.00 53.44 52.92 2dk4 n ALA 19 Cb 0.57 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2dk4 n ALA 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dk4 n GLU 20 N -0.17 -0.03 -1.24 0.00 4.07 -1.26 -4.97 120.64 117.05 2dk4 n GLU 20 Ca -0.02 0.01 -0.31 0.00 -0.06 0.00 0.00 57.16 56.78 2dk4 n GLU 20 Cb 0.18 -1.98 0.08 0.00 -0.06 0.00 0.00 31.44 29.67 2dk4 n GLU 20 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2dk4 n GLU 21 N -1.29 2.49 -1.93 5.31 0.28 -1.26 -4.99 120.64 119.25 2dk4 n GLU 21 Ca -0.00 -2.94 -0.38 0.00 -0.16 0.00 0.00 57.16 53.67 2dk4 n GLU 21 Cb 0.50 -2.15 0.02 0.00 1.43 0.00 0.00 31.44 31.24 2dk4 n GLU 21 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2dk4 s LYS 22 N -3.41 3.49 0.06 3.44 2.20 -1.26 -5.03 119.74 119.23 2dk4 s LYS 22 Ca 0.58 2.15 0.01 0.00 -0.36 0.00 0.00 55.97 58.35 2dk4 s LYS 22 Cb 0.46 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 34.32 2dk4 s LYS 22 CO 0.00 -0.88 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.53 2dk4 s LEU 23 N -3.12 2.37 -1.21 5.43 1.02 -1.26 -5.06 118.68 116.84 2dk4 s LEU 23 Ca 0.66 -0.75 -0.20 0.00 0.02 0.00 0.00 54.13 53.86 2dk4 s LEU 23 Cb -0.38 -0.07 -0.02 0.00 0.02 0.00 0.00 46.19 45.74 2dk4 s LEU 23 CO 0.46 -0.34 1.89 -0.81 0.02 0.00 0.00 176.35 177.56 2dk4 n PRO 24 N 0.81 2.36 -3.02 1.29 -0.04 -1.26 -4.56 135.00 130.59 2dk4 n PRO 24 Ca -0.18 -2.74 -0.13 0.00 -0.04 0.00 0.00 63.50 60.41 2dk4 n PRO 24 Cb 0.57 -3.50 0.01 0.00 -0.04 0.00 0.00 33.50 30.55 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 7.95 -0.78 -0.07 0.54 1.56 -1.26 -4.86 117.12 120.21 2dk4 n MET 25 Ca 0.48 0.89 -0.15 0.00 -0.27 0.00 0.00 57.70 58.65 2dk4 n MET 25 Cb 0.45 -1.20 -0.05 0.00 2.15 0.00 0.00 33.22 34.57 2dk4 n MET 25 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 2dk4 h THR 26 N 2.76 1.28 -3.30 1.12 1.35 -2.02 -3.42 112.91 110.68 2dk4 h THR 26 Ca -0.19 -1.76 -0.63 0.00 -0.55 0.00 0.00 66.41 63.28 2dk4 h THR 26 Cb 1.03 1.71 -0.19 0.00 -1.73 0.00 0.00 68.15 68.97 2dk4 h THR 26 CO 0.08 0.57 -0.63 -0.76 -0.25 0.00 0.00 175.52 174.53 2dk4 s LEU 27 N -8.66 3.48 0.70 3.87 1.43 -1.26 -5.10 118.68 113.13 2dk4 s LEU 27 Ca -0.11 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 2dk4 s LEU 27 Cb 0.09 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2dk4 s LEU 27 CO 0.89 0.20 1.04 -0.44 0.23 0.00 0.00 176.35 178.26 2dk4 s SER 28 N 0.22 5.07 0.09 2.29 0.01 -1.26 -4.70 113.70 115.42 2dk4 s SER 28 Ca 0.00 0.72 -0.18 0.00 1.31 0.00 0.00 55.95 57.80 2dk4 s SER 28 Cb -0.13 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 2dk4 s SER 28 CO 0.02 -1.48 1.16 -2.11 0.41 0.00 0.00 173.24 171.24 2dk4 n ARG 29 N -2.94 -0.26 -0.16 12.44 1.85 -1.26 0.80 116.66 127.13 2dk4 n ARG 29 Ca 0.07 1.14 -0.02 0.00 -1.00 0.00 0.00 57.85 58.04 2dk4 n ARG 29 Cb 0.59 -1.68 0.07 0.00 -1.05 0.00 0.00 32.46 30.39 2dk4 n ARG 29 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2dk4 h GLN 30 N 0.00 0.31 -0.11 2.89 4.15 -1.97 1.45 115.11 121.84 2dk4 h GLN 30 Ca 0.09 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2dk4 h GLN 30 Cb 0.24 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 2dk4 h GLN 30 CO -0.55 0.21 0.15 1.49 -1.93 0.00 0.00 178.83 178.19 2dk4 h GLU 31 N 0.32 0.00 0.02 1.69 4.57 0.06 0.75 114.58 122.00 2dk4 h GLU 31 Ca 0.25 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.09 2dk4 h GLU 31 Cb 0.30 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 2dk4 h GLU 31 CO -0.28 0.00 -2.06 0.28 -1.18 0.00 0.00 179.01 175.77 2dk4 n VAL 32 N -3.67 1.56 -0.08 0.32 0.31 0.23 -4.02 118.33 112.97 2dk4 n VAL 32 Ca -0.00 -0.76 -0.09 0.00 -0.01 0.00 0.00 64.34 63.48 2dk4 n VAL 32 Cb 0.25 -1.03 0.06 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.00 2.52 2.04 0.37 -2.59 117.51 121.15 2dk4 h ILE 33 Ca -0.43 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2dk4 h ILE 33 Cb 2.08 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2dk4 h ILE 33 CO 0.04 0.48 0.00 0.54 0.00 0.00 0.00 178.15 179.21 2dk4 n ARG 34 N -4.08 0.00 -0.17 2.37 1.74 0.24 -0.17 116.66 116.60 2dk4 n ARG 34 Ca -0.01 0.39 -0.08 0.00 -0.77 0.00 0.00 57.85 57.38 2dk4 n ARG 34 Cb 0.48 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dk4 h ARG 35 N 0.00 -0.12 -0.34 5.56 3.08 -1.70 0.58 114.38 121.44 2dk4 h ARG 35 Ca 0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2dk4 h ARG 35 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2dk4 h ARG 35 CO 0.00 -0.08 -0.20 1.28 -1.07 0.00 0.00 179.97 179.90 2dk4 n LEU 36 N -4.36 -0.36 -0.20 3.04 4.77 -0.97 0.18 117.00 119.10 2dk4 n LEU 36 Ca -0.01 1.25 -0.03 0.00 -0.03 0.00 0.00 56.01 57.20 2dk4 n LEU 36 Cb 0.19 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2dk4 n LEU 36 CO -0.05 -0.81 0.69 0.03 -1.33 0.00 0.00 177.39 175.93 2dk4 h ARG 37 N 0.00 -0.08 0.00 3.23 3.08 0.35 1.58 114.38 122.55 2dk4 h ARG 37 Ca 0.05 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2dk4 h ARG 37 Cb 0.14 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2dk4 h ARG 37 CO -0.32 -0.05 -0.01 0.93 -1.07 0.00 0.00 179.97 179.45 2dk4 h GLU 38 N -0.08 0.00 0.00 0.04 4.39 0.36 0.11 114.58 119.40 2dk4 h GLU 38 Ca 0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 2dk4 h GLU 38 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2dk4 h GLU 38 CO -0.65 0.01 -1.19 0.54 -1.16 0.00 0.00 179.01 176.56 2dk4 n ARG 39 N -3.31 0.61 -0.26 2.33 5.12 0.48 -4.96 116.66 116.67 2dk4 n ARG 39 Ca -0.03 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2dk4 n ARG 39 Cb 0.10 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 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 1.24 0.84 3.92 -0.13 0.00 0.28 -5.05 105.19 106.30 2dk4 n GLY 40 Ca -0.03 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.57 3.56 -0.22 1.61 0.41 -0.42 -4.97 118.70 118.10 2dk4 s GLU 41 Ca 0.00 -0.11 -0.29 0.00 -0.41 0.00 0.00 54.97 54.16 2dk4 s GLU 41 Cb 0.00 -2.62 -0.01 0.00 -1.78 0.00 0.00 34.13 29.73 2dk4 s GLU 41 CO 0.00 0.13 1.31 -1.25 -0.49 0.00 0.00 175.26 174.95 2dk4 s PRO 42 N -4.04 4.08 0.33 0.39 0.04 -1.26 -4.01 135.00 130.53 2dk4 s PRO 42 Ca 0.43 1.50 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2dk4 s PRO 42 Cb -0.10 -3.83 0.72 0.00 0.04 0.00 0.00 34.50 31.32 2dk4 s PRO 42 CO 0.35 -0.91 1.86 -0.84 0.04 0.00 0.00 177.00 177.49 2dk4 h ILE 43 N 5.72 0.87 -3.13 0.56 3.07 -1.94 -3.37 117.51 119.29 2dk4 h ILE 43 Ca -0.27 -0.28 -0.46 0.00 1.55 0.00 0.00 64.86 65.40 2dk4 h ILE 43 Cb 1.10 -0.01 -0.40 0.00 -0.27 0.00 0.00 36.82 37.24 2dk4 h ILE 43 CO 1.00 0.15 -0.75 -0.60 -1.05 0.00 0.00 178.15 176.89 2dk4 s ARG 44 N -5.79 0.20 0.16 0.16 6.06 -1.26 -4.83 118.95 113.66 2dk4 s ARG 44 Ca -0.11 -0.11 -0.03 0.00 -2.50 0.00 0.00 55.73 52.99 2dk4 s ARG 44 Cb 0.22 -1.74 0.04 0.00 0.06 0.00 0.00 34.95 33.53 2dk4 s ARG 44 CO 0.80 -0.62 0.14 1.28 -2.50 0.00 0.00 175.30 174.40 2dk4 n LEU 45 N 5.22 0.00 -3.98 -0.88 4.77 -1.26 -4.87 117.00 116.01 2dk4 n LEU 45 Ca -0.07 -0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 2dk4 n LEU 45 Cb 0.49 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2dk4 n LEU 45 CO 0.10 -1.12 2.22 0.33 -1.33 0.00 0.00 177.39 177.59 2dk4 n PHE 46 N -2.78 3.69 0.00 -1.77 7.35 -1.26 -3.79 117.46 118.90 2dk4 n PHE 46 Ca 0.02 -2.94 0.00 0.00 -0.76 0.00 0.00 57.45 53.77 2dk4 n PHE 46 Cb 0.08 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 37.56 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 3.92 0.73 3.65 7.13 0.00 -1.26 -5.15 105.19 114.21 2dk4 n GLY 47 Ca 0.46 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 0.39 2.10 0.22 1.61 2.02 -1.25 -5.12 118.70 118.67 2dk4 s GLU 48 Ca 0.00 -1.79 0.04 0.00 0.02 0.00 0.00 54.97 53.25 2dk4 s GLU 48 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 2dk4 s GLU 48 CO 0.00 0.08 -0.04 -0.08 0.02 0.00 0.00 175.26 175.24 2dk4 s THR 49 N -2.54 1.20 0.30 3.63 -1.32 -1.26 -4.88 115.64 110.76 2dk4 s THR 49 Ca 0.36 -2.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2dk4 s THR 49 Cb 0.01 -2.24 0.41 0.00 -1.51 0.00 0.00 72.50 69.17 2dk4 s THR 49 CO 0.20 -0.43 1.58 -2.24 -2.21 0.00 0.00 174.62 171.52 2dk4 h ASP 50 N 2.51 -0.49 0.84 8.08 2.03 -1.97 0.53 116.42 127.95 2dk4 h ASP 50 Ca -0.38 0.27 -0.04 0.00 -0.73 0.00 0.00 57.03 56.15 2dk4 h ASP 50 Cb 1.22 0.48 0.01 0.00 -0.83 0.00 0.00 39.33 40.21 2dk4 h ASP 50 CO 0.65 -0.34 -0.41 0.22 -1.03 0.00 0.00 179.24 178.33 2dk4 h TYR 51 N 0.02 -1.05 -0.44 4.15 3.20 -1.97 1.07 116.97 121.96 2dk4 h TYR 51 Ca 0.58 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.50 2dk4 h TYR 51 Cb 1.16 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.69 2dk4 h TYR 51 CO -0.51 -0.65 -0.37 0.22 -1.64 0.00 0.00 178.16 175.21 2dk4 h ASP 52 N -1.15 -1.25 -0.47 -2.11 1.82 -1.25 1.53 116.42 113.54 2dk4 h ASP 52 Ca -0.12 0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2dk4 h ASP 52 Cb 0.87 0.57 -0.04 0.00 0.68 0.00 0.00 39.33 41.41 2dk4 h ASP 52 CO 0.19 -0.34 0.25 0.00 -1.61 0.00 0.00 179.24 177.73 2dk4 h ALA 53 N 0.66 0.59 0.46 -0.78 0.00 -0.02 0.72 119.26 120.89 2dk4 h ALA 53 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2dk4 h ALA 53 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dk4 h ALA 53 CO -0.58 -0.09 -0.25 0.35 0.00 0.00 0.00 179.25 178.69 2dk4 h PHE 54 N 0.50 -0.65 -0.59 0.00 3.57 0.39 -2.42 116.94 117.73 2dk4 h PHE 54 Ca 0.20 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.79 2dk4 h PHE 54 Cb 0.08 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.92 2dk4 h PHE 54 CO -0.09 -0.39 -0.33 1.96 -2.23 0.00 0.00 178.31 177.23 2dk4 h GLN 55 N -0.65 -0.16 -0.87 1.11 1.08 0.21 0.50 115.11 116.34 2dk4 h GLN 55 Ca -0.06 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2dk4 h GLN 55 Cb 0.51 0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.87 2dk4 h GLN 55 CO 0.09 -0.10 -0.57 -0.09 -0.95 0.00 0.00 178.83 177.21 2dk4 h ARG 56 N -0.16 -0.07 0.11 1.46 2.43 -0.80 0.32 114.38 117.67 2dk4 h ARG 56 Ca 0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2dk4 h ARG 56 Cb 0.55 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2dk4 h ARG 56 CO -0.68 -0.04 -0.05 1.25 -1.51 0.00 0.00 179.97 178.93 2dk4 h LEU 57 N -0.07 -0.12 -1.43 3.80 7.12 -0.69 0.56 115.31 124.48 2dk4 h LEU 57 Ca 0.14 -0.03 0.22 0.00 0.13 0.00 0.00 57.88 58.34 2dk4 h LEU 57 Cb 0.43 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 2dk4 h LEU 57 CO -0.85 -0.05 0.89 -0.09 -0.13 0.00 0.00 178.44 178.21 2dk4 h ARG 58 N -0.19 0.00 0.06 1.25 1.12 0.23 1.61 114.38 118.46 2dk4 h ARG 58 Ca -0.01 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.51 2dk4 h ARG 58 Cb 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.07 2dk4 h ARG 58 CO 0.02 0.00 -2.01 1.17 -3.11 0.00 0.00 179.97 176.05 2dk4 n LYS 59 N -3.40 0.70 -0.20 0.20 4.81 0.88 -3.90 118.16 117.26 2dk4 n LYS 59 Ca 0.16 0.24 -0.07 0.00 -0.87 0.00 0.00 58.31 57.77 2dk4 n LYS 59 Cb 1.14 -1.70 0.03 0.00 0.02 0.00 0.00 35.03 34.52 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 0.04 1.16 -0.96 3.15 2.04 0.43 -1.33 117.51 122.04 2dk4 h ILE 60 Ca -0.41 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2dk4 h ILE 60 Cb 2.03 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 2dk4 h ILE 60 CO 0.06 0.17 0.62 -0.33 0.00 0.00 0.00 178.15 178.66 2dk4 h GLU 61 N 0.76 0.95 -0.22 2.37 4.39 -0.56 -1.10 114.58 121.17 2dk4 h GLU 61 Ca 0.20 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2dk4 h GLU 61 Cb -0.03 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2dk4 h GLU 61 CO -0.04 0.63 0.03 0.82 -1.16 0.00 0.00 179.01 179.29 2dk4 h ILE 62 N 0.98 1.23 0.00 3.13 2.04 -1.46 -3.33 117.51 120.10 2dk4 h ILE 62 Ca 0.46 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2dk4 h ILE 62 Cb 0.42 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2dk4 h ILE 62 CO -0.22 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.35 2dk4 n LEU 63 N -4.71 0.00 -4.57 1.44 4.77 -0.44 -4.56 117.00 108.93 2dk4 n LEU 63 Ca -0.04 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 2dk4 n LEU 63 Cb 0.20 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2dk4 n LEU 63 CO 0.37 0.00 0.42 1.07 -1.33 0.00 0.00 177.39 177.92 2dk4 n THR 64 N -0.63 2.54 0.00 -5.08 5.66 -1.06 -4.96 114.28 110.75 2dk4 n THR 64 Ca 0.00 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2dk4 n THR 64 Cb 0.00 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 2dk4 n THR 64 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2dk4 n PRO 65 N -0.02 0.00 -1.74 1.09 -0.04 -1.26 -4.80 135.00 128.23 2dk4 n PRO 65 Ca 0.11 0.47 -0.66 0.00 -0.04 0.00 0.00 63.50 63.37 2dk4 n PRO 65 Cb 0.42 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 2dk4 n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dk4 n GLU 66 N -1.90 0.19 -3.65 0.54 2.13 -1.26 -4.91 120.64 111.77 2dk4 n GLU 66 Ca 0.00 0.07 -0.03 0.00 0.66 0.00 0.00 57.16 57.86 2dk4 n GLU 66 Cb 0.00 -1.60 -0.05 0.00 0.27 0.00 0.00 31.44 30.06 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dk4 s VAL 67 N 3.03 -0.88 -0.30 6.31 0.11 -1.26 -5.08 120.40 122.33 2dk4 s VAL 67 Ca 1.04 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.82 2dk4 s VAL 67 Cb -1.43 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2dk4 s VAL 67 CO 0.79 0.01 1.59 0.21 -3.33 0.00 0.00 175.10 174.37 2dk4 s ASN 68 N 2.76 6.27 -0.07 3.54 2.47 -1.26 -4.10 114.94 124.55 2dk4 s ASN 68 Ca -0.06 1.31 -0.02 0.00 0.42 0.00 0.00 52.86 54.51 2dk4 s ASN 68 Cb -0.12 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2dk4 s ASN 68 CO -0.18 -1.40 0.04 1.17 -3.72 0.00 0.00 177.10 173.01 2dk4 n LYS 69 N 7.93 -0.83 -3.41 0.43 0.00 -1.26 -4.96 118.16 116.05 2dk4 n LYS 69 Ca 0.19 1.10 -0.20 0.00 0.00 0.00 0.00 58.31 59.40 2dk4 n LYS 69 Cb 0.46 -1.70 -0.00 0.00 0.00 0.00 0.00 35.03 33.79 2dk4 n LYS 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2dk4 s GLY 70 N -1.13 1.53 -0.32 3.14 0.00 -1.26 -5.07 107.32 104.22 2dk4 s GLY 70 Ca 0.02 -1.32 -0.20 0.00 0.00 0.00 0.00 44.72 43.23 2dk4 s GLY 70 CO 0.17 -1.23 0.60 -0.45 0.00 0.00 0.00 173.10 172.19 2dk4 s SER 71 N -4.15 6.45 0.00 1.64 0.15 -1.26 -5.00 113.70 111.52 2dk4 s SER 71 Ca 0.44 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2dk4 s SER 71 Cb -0.10 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2dk4 s SER 71 CO 0.33 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dk4 n GLY 72 N 4.52 1.18 3.75 9.45 0.00 -1.26 -5.07 105.19 117.77 2dk4 n GLY 72 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 3.18 4.64 0.21 1.61 0.04 -1.26 -5.03 135.00 138.39 2dk4 s PRO 73 Ca 0.00 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 2dk4 s PRO 73 Cb 0.00 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.36 2dk4 s PRO 73 CO 0.00 0.18 0.73 0.45 0.04 0.00 0.00 177.00 178.41 2dk4 s SER 74 N -0.64 -0.34 -0.28 6.66 0.15 -1.26 -5.18 113.70 112.81 2dk4 s SER 74 Ca 0.46 -0.36 -0.27 0.00 0.70 0.00 0.00 55.95 56.48 2dk4 s SER 74 Cb -0.31 0.63 0.17 0.00 -1.71 0.00 0.00 66.02 64.81 2dk4 s SER 74 CO 0.38 -1.12 1.31 -0.94 1.20 0.00 0.00 173.24 174.07 2dk4 s SER 75 N -2.84 -0.15 0.00 5.45 1.04 -1.26 -5.14 113.70 110.80 2dk4 s SER 75 Ca 0.08 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2dk4 s SER 75 Cb -0.04 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2dk4 s SER 75 CO -0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75