#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 -0.13 1.61 0.15 -1.26 -5.18 113.70 108.68 2dk4 s SER 2 Ca 0.00 0.36 -0.34 0.00 0.70 0.00 0.00 55.95 56.68 2dk4 s SER 2 Cb 0.00 0.88 0.14 0.00 -1.71 0.00 0.00 66.02 65.34 2dk4 s SER 2 CO 0.00 -0.06 1.36 -0.55 1.20 0.00 0.00 173.24 175.20 2dk4 s SER 3 N 0.85 -0.03 0.00 5.45 0.15 -1.26 -5.17 113.70 113.69 2dk4 s SER 3 Ca -0.04 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2dk4 s SER 3 Cb -0.03 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2dk4 s SER 3 CO -0.12 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2dk4 n GLY 4 N -0.35 3.08 3.28 9.45 0.00 -1.26 -5.17 105.19 114.22 2dk4 n GLY 4 Ca -0.05 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2dk4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk4 s SER 5 N 0.00 -0.35 -0.05 1.61 0.15 -1.26 -5.18 113.70 108.62 2dk4 s SER 5 Ca 0.00 0.44 -0.31 0.00 0.70 0.00 0.00 55.95 56.77 2dk4 s SER 5 Cb 0.00 1.38 0.13 0.00 -1.71 0.00 0.00 66.02 65.82 2dk4 s SER 5 CO 0.00 -0.07 1.29 -0.55 1.20 0.00 0.00 173.24 175.12 2dk4 s SER 6 N 2.36 -0.06 0.00 5.45 0.15 -1.26 -5.13 113.70 115.22 2dk4 s SER 6 Ca -0.01 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2dk4 s SER 6 Cb -0.04 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2dk4 s SER 6 CO -0.16 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2dk4 n GLY 7 N -0.43 1.01 3.15 9.45 0.00 -1.26 -5.16 105.19 111.95 2dk4 n GLY 7 Ca -0.07 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -0.79 -0.30 2.61 -1.32 -1.26 -5.12 115.64 109.45 2dk4 s THR 8 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 2dk4 s THR 8 Cb 0.00 -0.96 0.18 0.00 -1.51 0.00 0.00 72.50 70.21 2dk4 s THR 8 CO 0.00 0.00 0.97 -0.55 -2.21 0.00 0.00 174.62 172.83 2dk4 s SER 9 N 2.88 -0.64 -0.30 8.08 0.15 -1.26 -5.15 113.70 117.47 2dk4 s SER 9 Ca 0.14 0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.86 2dk4 s SER 9 Cb -0.13 1.47 0.20 0.00 -1.71 0.00 0.00 66.02 65.85 2dk4 s SER 9 CO -0.19 -0.12 1.22 -0.94 1.20 0.00 0.00 173.24 174.41 2dk4 s SER 10 N 2.94 -0.15 -0.35 5.45 1.04 -1.26 -5.13 113.70 116.23 2dk4 s SER 10 Ca 0.12 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.80 2dk4 s SER 10 Cb -0.08 1.12 0.19 0.00 0.10 0.00 0.00 66.02 67.35 2dk4 s SER 10 CO -0.17 -0.03 0.72 0.21 0.98 0.00 0.00 173.24 174.94 2dk4 s ASN 11 N 1.61 -1.29 0.00 7.02 2.47 -1.26 -5.10 114.94 118.39 2dk4 s ASN 11 Ca -0.04 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 52.90 2dk4 s ASN 11 Cb -0.02 1.70 0.00 0.00 -1.45 0.00 0.00 41.25 41.48 2dk4 s ASN 11 CO -0.13 -0.18 0.00 -0.81 -3.72 0.00 0.00 177.10 172.26 2dk4 n PRO 12 N 4.67 0.00 -3.11 0.43 -0.04 -1.26 -4.99 135.00 130.70 2dk4 n PRO 12 Ca 0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2dk4 n PRO 12 Cb 0.57 -0.15 -0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.02 -3.40 -2.67 0.52 0.31 -1.26 -4.97 118.33 106.83 2dk4 n VAL 13 Ca 0.00 0.67 -0.04 0.00 -0.01 0.00 0.00 64.34 64.96 2dk4 n VAL 13 Cb 0.00 -3.53 0.09 0.00 -0.91 0.00 0.00 33.84 29.49 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2dk4 n LEU 14 N 1.31 -1.41 -3.53 7.52 0.00 -1.26 -5.16 117.00 114.48 2dk4 n LEU 14 Ca -0.01 -1.97 -0.08 0.00 0.00 0.00 0.00 56.01 53.96 2dk4 n LEU 14 Cb 0.40 0.73 -0.02 0.00 0.00 0.00 0.00 43.42 44.53 2dk4 n LEU 14 CO 0.06 1.63 0.76 -0.70 0.00 0.00 0.00 177.39 179.14 2dk4 s GLU 15 N 0.13 0.69 0.26 1.96 2.12 -1.26 -5.13 118.70 117.47 2dk4 s GLU 15 Ca 0.24 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2dk4 s GLU 15 Cb 0.24 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.95 2dk4 s GLU 15 CO -0.13 -0.30 0.00 -0.11 -0.54 0.00 0.00 175.26 174.18 2dk4 n LEU 16 N -0.13 -5.63 -3.99 2.70 0.00 -1.26 -5.03 117.00 103.66 2dk4 n LEU 16 Ca -0.07 2.76 -0.21 0.00 0.00 0.00 0.00 56.01 58.50 2dk4 n LEU 16 Cb 0.61 -2.64 -0.16 0.00 0.00 0.00 0.00 43.42 41.23 2dk4 n LEU 16 CO 0.11 -0.96 -0.44 -1.83 0.00 0.00 0.00 177.39 174.27 2dk4 s GLU 17 N -1.80 1.00 0.06 1.96 1.03 -1.26 -5.14 118.70 114.55 2dk4 s GLU 17 Ca 0.00 -0.29 -0.14 0.00 0.03 0.00 0.00 54.97 54.57 2dk4 s GLU 17 Cb 0.00 -0.92 0.02 0.00 -0.80 0.00 0.00 34.13 32.43 2dk4 s GLU 17 CO 0.00 0.08 0.33 -1.17 -1.33 0.00 0.00 175.26 173.17 2dk4 s LEU 18 N 0.31 0.78 0.00 1.83 2.96 -1.26 -5.18 118.68 118.12 2dk4 s LEU 18 Ca -0.05 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2dk4 s LEU 18 Cb -0.10 1.46 0.00 0.00 0.50 0.00 0.00 46.19 48.05 2dk4 s LEU 18 CO 0.01 -0.66 0.00 0.00 -1.32 0.00 0.00 176.35 174.37 2dk4 n ALA 19 N 0.41 0.00 -0.32 5.97 0.00 -1.26 -5.15 120.51 120.16 2dk4 n ALA 19 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.30 2dk4 n ALA 19 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 -0.68 -3.24 0.00 2.13 -1.26 -4.82 120.64 112.77 2dk4 n GLU 20 Ca 0.00 0.49 -0.17 0.00 0.66 0.00 0.00 57.16 58.14 2dk4 n GLU 20 Cb 0.00 -0.82 -0.03 0.00 0.27 0.00 0.00 31.44 30.86 2dk4 n GLU 20 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2dk4 n GLU 21 N -2.45 -1.98 -0.87 5.31 2.13 -1.26 -4.79 120.64 116.72 2dk4 n GLU 21 Ca -0.00 0.06 -0.35 0.00 0.66 0.00 0.00 57.16 57.52 2dk4 n GLU 21 Cb 0.15 -4.36 0.09 0.00 0.27 0.00 0.00 31.44 27.59 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 -3.01 -0.43 -0.80 5.31 3.00 -1.26 -4.86 118.16 116.10 2dk4 n LYS 22 Ca 0.05 -0.11 -0.32 0.00 -0.00 0.00 0.00 58.31 57.93 2dk4 n LYS 22 Cb 0.45 -1.38 0.15 0.00 0.00 0.00 0.00 35.03 34.25 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2dk4 n LEU 23 N 1.07 2.42 0.00 3.14 7.94 -1.26 -5.00 117.00 125.31 2dk4 n LEU 23 Ca 0.01 0.43 -0.15 0.00 -1.11 0.00 0.00 56.01 55.19 2dk4 n LEU 23 Cb 0.61 -1.40 0.11 0.00 0.53 0.00 0.00 43.42 43.28 2dk4 n LEU 23 CO 0.50 -2.54 0.37 -0.81 -1.11 0.00 0.00 177.39 173.81 2dk4 n PRO 24 N -3.24 -1.36 -1.83 1.96 -0.04 -1.26 -4.98 135.00 124.25 2dk4 n PRO 24 Ca 0.11 -0.95 -0.40 0.00 -0.04 0.00 0.00 63.50 62.22 2dk4 n PRO 24 Cb 0.52 -0.75 0.01 0.00 -0.04 0.00 0.00 33.50 33.24 2dk4 n PRO 24 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2dk4 s MET 25 N -4.35 3.71 0.00 0.54 -1.94 -1.26 -4.92 119.30 111.07 2dk4 s MET 25 Ca 0.37 2.38 0.00 0.00 -1.71 0.00 0.00 55.69 56.73 2dk4 s MET 25 Cb -0.02 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.16 2dk4 s MET 25 CO 0.27 -0.79 0.00 0.25 -0.01 0.00 0.00 175.02 174.74 2dk4 n THR 26 N -0.17 0.00 -3.93 2.05 -2.24 -1.26 -5.04 114.28 103.69 2dk4 n THR 26 Ca 0.05 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.48 2dk4 n THR 26 Cb 0.42 -0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 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 -4.72 4.02 0.60 3.22 1.43 -1.26 -5.09 118.68 116.88 2dk4 s LEU 27 Ca 0.00 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2dk4 s LEU 27 Cb 0.00 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2dk4 s LEU 27 CO 0.00 0.24 0.90 -0.55 0.23 0.00 0.00 176.35 177.16 2dk4 s SER 28 N 0.01 5.41 0.20 2.29 0.15 -1.26 -4.70 113.70 115.80 2dk4 s SER 28 Ca 0.08 0.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.10 2dk4 s SER 28 Cb -0.12 -1.49 0.16 0.00 -1.71 0.00 0.00 66.02 62.86 2dk4 s SER 28 CO 0.00 -1.16 1.45 -2.11 1.20 0.00 0.00 173.24 172.63 2dk4 n ARG 29 N -2.60 -0.26 0.03 5.44 -4.01 -1.26 0.16 116.66 114.16 2dk4 n ARG 29 Ca 0.05 1.44 -0.12 0.00 -1.04 0.00 0.00 57.85 58.18 2dk4 n ARG 29 Cb 0.58 -2.13 -0.08 0.00 -3.04 0.00 0.00 32.46 27.80 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 -0.00 -0.42 2.89 4.15 -1.97 1.33 115.11 121.09 2dk4 h GLN 30 Ca 0.29 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.83 2dk4 h GLN 30 Cb 0.52 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2dk4 h GLN 30 CO -0.92 0.09 0.31 1.49 -1.93 0.00 0.00 178.83 177.88 2dk4 h GLU 31 N -0.10 0.00 0.08 1.69 4.57 -0.60 0.77 114.58 120.99 2dk4 h GLU 31 Ca -0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 2dk4 h GLU 31 Cb 0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2dk4 h GLU 31 CO 0.00 0.00 -1.74 0.28 -1.18 0.00 0.00 179.01 176.37 2dk4 h VAL 32 N 0.00 0.88 -0.50 0.32 2.07 0.23 -3.34 116.25 115.92 2dk4 h VAL 32 Ca 0.20 -2.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.04 2dk4 h VAL 32 Cb 0.82 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 2dk4 h VAL 32 CO -0.00 0.75 0.08 0.40 0.02 0.00 0.00 177.57 178.81 2dk4 h ILE 33 N 0.05 1.25 -0.00 4.57 2.04 0.39 -1.90 117.51 123.90 2dk4 h ILE 33 Ca -0.31 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2dk4 h ILE 33 Cb 2.02 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2dk4 h ILE 33 CO 0.11 0.33 -0.01 -0.09 0.00 0.00 0.00 178.15 178.50 2dk4 h ARG 34 N 0.70 -0.01 0.02 2.37 2.43 0.30 0.71 114.38 120.91 2dk4 h ARG 34 Ca 0.15 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2dk4 h ARG 34 Cb 0.40 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 2dk4 h ARG 34 CO 0.01 -0.00 -0.42 0.00 -1.51 0.00 0.00 179.97 178.04 2dk4 h ARG 35 N -0.01 -0.53 -0.99 0.20 3.08 -1.67 -0.60 114.38 113.87 2dk4 h ARG 35 Ca 0.00 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.23 2dk4 h ARG 35 Cb 0.01 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.02 2dk4 h ARG 35 CO -0.01 -0.35 -0.41 1.28 -1.07 0.00 0.00 179.97 179.42 2dk4 n LEU 36 N -4.83 -0.68 -0.27 3.04 4.77 -0.72 0.18 117.00 118.50 2dk4 n LEU 36 Ca -0.06 1.72 0.06 0.00 -0.03 0.00 0.00 56.01 57.71 2dk4 n LEU 36 Cb 0.32 -0.38 0.20 0.00 -2.33 0.00 0.00 43.42 41.23 2dk4 n LEU 36 CO 0.10 -1.53 1.02 0.03 -1.33 0.00 0.00 177.39 175.68 2dk4 h ARG 37 N 0.00 0.44 0.00 3.23 3.08 0.13 0.84 114.38 122.11 2dk4 h ARG 37 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2dk4 h ARG 37 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2dk4 h ARG 37 CO -0.97 0.29 0.00 0.93 -1.07 0.00 0.00 179.97 179.15 2dk4 h GLU 38 N 0.45 0.00 -0.31 0.04 5.08 0.34 -2.26 114.58 117.93 2dk4 h GLU 38 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2dk4 h GLU 38 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2dk4 h GLU 38 CO -0.41 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.14 2dk4 n ARG 39 N -2.93 2.19 -1.00 2.33 5.12 0.29 -4.90 116.66 117.76 2dk4 n ARG 39 Ca 0.02 -1.80 0.00 0.00 -1.93 0.00 0.00 57.85 54.14 2dk4 n ARG 39 Cb 0.36 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.17 3.85 -0.13 0.00 0.60 -4.97 105.19 106.06 2dk4 n GLY 40 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.34 3.79 -0.15 1.61 0.41 0.27 -4.98 118.70 118.32 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 -0.02 0.00 -1.78 0.00 0.00 34.13 30.22 2dk4 s GLU 41 CO 0.00 -0.41 1.27 -1.25 -0.49 0.00 0.00 175.26 174.38 2dk4 s PRO 42 N -4.51 4.24 0.58 0.39 0.04 -1.26 -4.15 135.00 130.33 2dk4 s PRO 42 Ca 0.58 1.68 0.29 0.00 0.04 0.00 0.00 61.00 63.58 2dk4 s PRO 42 Cb -0.11 -3.75 1.50 0.00 0.04 0.00 0.00 34.50 32.18 2dk4 s PRO 42 CO 0.40 -0.68 1.93 -0.84 0.04 0.00 0.00 177.00 177.86 2dk4 h ILE 43 N 5.43 0.42 -3.66 0.56 3.07 -1.92 -3.39 117.51 118.02 2dk4 h ILE 43 Ca -0.28 0.00 -0.27 0.00 1.55 0.00 0.00 64.86 65.86 2dk4 h ILE 43 Cb 1.11 0.66 -0.30 0.00 -0.27 0.00 0.00 36.82 38.02 2dk4 h ILE 43 CO 0.96 0.00 -0.73 -0.60 -1.05 0.00 0.00 178.15 176.73 2dk4 s ARG 44 N -4.68 0.06 0.12 0.16 6.06 -1.26 -4.92 118.95 114.48 2dk4 s ARG 44 Ca -0.04 0.04 0.02 0.00 -2.50 0.00 0.00 55.73 53.25 2dk4 s ARG 44 Cb 0.16 -0.15 0.02 0.00 0.06 0.00 0.00 34.95 35.04 2dk4 s ARG 44 CO 0.58 -0.05 0.14 1.28 -2.50 0.00 0.00 175.30 174.75 2dk4 n LEU 45 N 3.48 0.00 -4.55 -0.88 4.77 -1.26 -5.01 117.00 113.54 2dk4 n LEU 45 Ca -0.18 -0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 54.86 2dk4 n LEU 45 Cb 0.56 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2dk4 n LEU 45 CO 0.25 -0.47 1.41 0.12 -1.33 0.00 0.00 177.39 177.37 2dk4 s PHE 46 N -0.04 1.98 -0.58 -1.77 2.19 -1.26 -3.53 117.98 114.96 2dk4 s PHE 46 Ca 0.11 0.31 -0.02 0.00 0.33 0.00 0.00 56.93 57.66 2dk4 s PHE 46 Cb -0.01 -4.33 -0.03 0.00 -1.31 0.00 0.00 43.02 37.34 2dk4 s PHE 46 CO 0.07 -2.12 0.50 0.41 1.83 0.00 0.00 175.22 175.91 2dk4 n GLY 47 N 5.88 -0.15 3.48 13.12 0.00 -1.26 -5.05 105.19 121.20 2dk4 n GLY 47 Ca 0.19 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.98 1.74 0.00 1.61 2.02 -1.23 -5.08 118.70 113.77 2dk4 s GLU 48 Ca 0.19 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.84 2dk4 s GLU 48 Cb -0.02 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.19 2dk4 s GLU 48 CO 0.39 0.44 0.00 -2.37 0.02 0.00 0.00 175.26 173.74 2dk4 n THR 49 N 0.42 0.00 -0.07 3.63 5.66 -1.26 -4.83 114.28 117.83 2dk4 n THR 49 Ca -0.13 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 2dk4 n THR 49 Cb 0.55 -0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.12 2dk4 n THR 49 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2dk4 h ASP 50 N 0.00 0.52 0.64 1.09 5.19 -2.00 -1.17 116.42 120.69 2dk4 h ASP 50 Ca 0.00 -0.48 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 2dk4 h ASP 50 Cb 0.00 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.37 2dk4 h ASP 50 CO 0.00 0.90 -0.31 0.22 -3.12 0.00 0.00 179.24 176.93 2dk4 h TYR 51 N 0.15 -0.80 -0.15 4.55 5.03 -1.96 0.23 116.97 124.02 2dk4 h TYR 51 Ca 0.03 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.36 2dk4 h TYR 51 Cb 0.75 0.26 -0.07 0.00 1.55 0.00 0.00 36.73 39.23 2dk4 h TYR 51 CO 0.08 -0.46 -0.43 -0.44 -1.32 0.00 0.00 178.16 175.60 2dk4 h ASP 52 N -1.11 -1.34 -0.48 -2.11 3.32 -1.95 1.10 116.42 113.84 2dk4 h ASP 52 Ca -0.09 0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.22 2dk4 h ASP 52 Cb 0.70 0.55 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 2dk4 h ASP 52 CO 0.14 -0.43 0.07 0.00 -1.72 0.00 0.00 179.24 177.31 2dk4 h ALA 53 N 0.12 0.51 0.54 3.45 0.00 -1.25 0.22 119.26 122.85 2dk4 h ALA 53 Ca 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2dk4 h ALA 53 Cb 0.63 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dk4 h ALA 53 CO -0.41 -0.33 -0.32 0.35 0.00 0.00 0.00 179.25 178.53 2dk4 h PHE 54 N 0.20 -0.86 -0.93 0.00 3.57 0.11 -2.29 116.94 116.73 2dk4 h PHE 54 Ca 0.24 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.98 2dk4 h PHE 54 Cb 0.33 0.31 -0.13 0.00 2.79 0.00 0.00 35.95 39.24 2dk4 h PHE 54 CO -0.25 -0.49 0.43 1.96 -2.23 0.00 0.00 178.31 177.74 2dk4 h GLN 55 N -0.80 0.36 0.07 1.11 1.08 0.14 0.34 115.11 117.41 2dk4 h GLN 55 Ca -0.07 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2dk4 h GLN 55 Cb 0.64 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 2dk4 h GLN 55 CO 0.08 0.24 -0.34 -0.09 -0.95 0.00 0.00 178.83 177.76 2dk4 h ARG 56 N 0.37 -0.46 0.16 1.46 2.43 -0.24 0.11 114.38 118.20 2dk4 h ARG 56 Ca 0.61 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 2dk4 h ARG 56 Cb 1.23 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2dk4 h ARG 56 CO -0.56 -0.31 -0.14 1.25 -1.51 0.00 0.00 179.97 178.69 2dk4 h LEU 57 N -0.48 -0.38 -1.44 3.80 7.12 -0.65 0.20 115.31 123.49 2dk4 h LEU 57 Ca -0.00 0.04 0.21 0.00 0.13 0.00 0.00 57.88 58.26 2dk4 h LEU 57 Cb 0.49 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 2dk4 h LEU 57 CO -0.19 -0.22 0.88 -0.09 -0.13 0.00 0.00 178.44 178.68 2dk4 h ARG 58 N -0.32 0.00 0.06 1.25 1.12 -0.07 1.60 114.38 118.02 2dk4 h ARG 58 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.53 2dk4 h ARG 58 Cb 0.30 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.22 2dk4 h ARG 58 CO -0.03 0.00 -2.01 1.17 -3.11 0.00 0.00 179.97 175.99 2dk4 n LYS 59 N -3.40 0.70 -0.30 0.20 4.81 0.35 -3.92 118.16 116.60 2dk4 n LYS 59 Ca 0.16 0.23 -0.04 0.00 -0.87 0.00 0.00 58.31 57.79 2dk4 n LYS 59 Cb 1.12 -1.69 0.10 0.00 0.02 0.00 0.00 35.03 34.58 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 1.25 -0.02 3.15 2.04 0.51 -1.07 117.51 123.41 2dk4 h ILE 60 Ca -0.41 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2dk4 h ILE 60 Cb 2.03 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2dk4 h ILE 60 CO 0.06 0.30 -0.03 -0.33 0.00 0.00 0.00 178.15 178.14 2dk4 h GLU 61 N 1.18 0.03 0.21 2.37 4.39 -0.40 -2.45 114.58 119.91 2dk4 h GLU 61 Ca 0.29 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2dk4 h GLU 61 Cb 0.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2dk4 h GLU 61 CO -0.04 0.06 -0.10 0.82 -1.16 0.00 0.00 179.01 178.59 2dk4 h ILE 62 N 0.03 0.82 0.00 3.13 2.04 -1.33 -3.38 117.51 118.82 2dk4 h ILE 62 Ca 0.01 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2dk4 h ILE 62 Cb 0.08 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2dk4 h ILE 62 CO 0.00 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.51 2dk4 n LEU 63 N -5.02 0.00 -3.95 1.44 4.77 -0.88 -4.68 117.00 108.68 2dk4 n LEU 63 Ca -0.09 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 2dk4 n LEU 63 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2dk4 n LEU 63 CO 0.29 0.00 -0.49 1.07 -1.33 0.00 0.00 177.39 176.93 2dk4 n THR 64 N -0.22 0.34 -0.19 -5.08 5.66 -0.96 -4.95 114.28 108.87 2dk4 n THR 64 Ca 0.00 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2dk4 n THR 64 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.30 0.62 -2.90 1.09 -0.04 -1.26 -4.81 135.00 128.99 2dk4 n PRO 65 Ca 0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2dk4 n PRO 65 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.32 -2.48 -3.64 0.54 2.13 -1.26 -5.02 120.64 110.59 2dk4 n GLU 66 Ca 0.00 2.14 -0.07 0.00 0.66 0.00 0.00 57.16 59.88 2dk4 n GLU 66 Cb 0.00 -4.19 -0.07 0.00 0.27 0.00 0.00 31.44 27.45 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 -1.63 0.00 -0.10 6.31 0.11 -1.26 -5.08 120.40 118.75 2dk4 s VAL 67 Ca 0.06 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.99 2dk4 s VAL 67 Cb -0.01 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2dk4 s VAL 67 CO 0.61 0.00 0.33 0.20 -3.33 0.00 0.00 175.10 172.91 2dk4 s ASN 68 N 0.37 -0.32 -0.00 3.54 0.01 -1.26 -5.16 114.94 112.11 2dk4 s ASN 68 Ca 0.02 0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 52.43 2dk4 s ASN 68 Cb -0.05 0.61 0.10 0.00 0.41 0.00 0.00 41.25 42.32 2dk4 s ASN 68 CO -0.09 -0.19 1.04 -1.59 -1.51 0.00 0.00 177.10 174.76 2dk4 s LYS 69 N -0.15 0.74 0.00 -0.60 -2.85 -1.26 -5.19 119.74 110.44 2dk4 s LYS 69 Ca -0.03 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 2dk4 s LYS 69 Cb -0.03 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 2dk4 s LYS 69 CO 0.01 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.54 2dk4 n GLY 70 N -0.31 1.99 3.24 0.59 0.00 -1.26 -5.15 105.19 104.29 2dk4 n GLY 70 Ca -0.06 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 2dk4 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk4 s SER 71 N -0.98 -0.21 0.00 1.61 1.04 -1.26 -5.10 113.70 108.80 2dk4 s SER 71 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2dk4 s SER 71 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2dk4 s SER 71 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2dk4 n GLY 72 N 1.41 2.23 3.76 7.32 0.00 -1.26 -5.11 105.19 113.53 2dk4 n GLY 72 Ca -0.21 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.59 4.62 -0.29 1.61 0.04 -1.26 -5.04 135.00 134.09 2dk4 s PRO 73 Ca 0.00 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 2dk4 s PRO 73 Cb 0.00 -3.14 0.14 0.00 0.04 0.00 0.00 34.50 31.54 2dk4 s PRO 73 CO 0.00 0.21 0.84 0.45 0.04 0.00 0.00 177.00 178.54 2dk4 s SER 74 N -0.97 -0.78 -0.34 6.66 0.15 -1.26 -5.12 113.70 112.04 2dk4 s SER 74 Ca 0.45 1.14 -0.43 0.00 0.70 0.00 0.00 55.95 57.81 2dk4 s SER 74 Cb -0.30 1.69 -0.18 0.00 -1.71 0.00 0.00 66.02 65.52 2dk4 s SER 74 CO 0.39 -0.17 1.64 -1.20 1.20 0.00 0.00 173.24 175.10 2dk4 n SER 75 N 4.71 1.76 0.00 5.45 7.64 -1.26 -5.31 113.62 126.61 2dk4 n SER 75 Ca -0.14 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2dk4 n SER 75 Cb 0.54 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64