#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 -0.21 0.60 1.61 1.04 -1.26 -5.15 113.70 110.33 2dk4 s SER 2 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2dk4 s SER 2 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2dk4 s SER 2 CO 0.00 -0.17 0.00 -1.20 0.98 0.00 0.00 173.24 172.85 2dk4 n SER 3 N 0.85 -8.05 -3.15 7.02 7.64 -1.26 -5.00 113.62 111.67 2dk4 n SER 3 Ca -0.06 1.38 0.05 0.00 1.01 0.00 0.00 58.87 61.25 2dk4 n SER 3 Cb 0.58 -4.93 -0.01 0.00 -1.01 0.00 0.00 64.21 58.84 2dk4 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk4 s GLY 4 N -7.27 -0.77 0.15 0.23 0.00 -1.26 -5.17 107.32 93.23 2dk4 s GLY 4 Ca 0.00 2.14 -0.24 0.00 0.00 0.00 0.00 44.72 46.61 2dk4 s GLY 4 CO 0.00 3.72 1.03 -1.35 0.00 0.00 0.00 173.10 176.49 2dk4 s SER 5 N 2.91 -0.09 0.05 1.64 1.04 -1.26 -5.07 113.70 112.92 2dk4 s SER 5 Ca 0.12 -0.49 -0.26 0.00 0.48 0.00 0.00 55.95 55.79 2dk4 s SER 5 Cb -0.10 0.46 -0.14 0.00 0.10 0.00 0.00 66.02 66.34 2dk4 s SER 5 CO -0.18 -0.88 1.40 0.77 0.98 0.00 0.00 173.24 175.32 2dk4 h SER 6 N 2.00 -0.89 -1.21 7.02 4.64 -1.94 -3.49 113.55 119.67 2dk4 h SER 6 Ca -0.26 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dk4 h SER 6 Cb 1.22 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2dk4 h SER 6 CO 0.30 -0.53 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 2dk4 n GLY 7 N -1.44 0.07 3.60 -0.77 0.00 -1.26 -4.49 105.19 100.90 2dk4 n GLY 7 Ca -0.10 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2dk4 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dk4 n THR 8 N -0.19 0.00 -3.99 2.61 -2.24 -1.26 -4.73 114.28 104.48 2dk4 n THR 8 Ca 0.00 -2.02 -0.42 0.00 -2.27 0.00 0.00 64.05 59.33 2dk4 n THR 8 Cb 0.00 -0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.13 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk4 n SER 9 N -1.91 -4.40 0.00 3.42 2.88 -1.26 -4.90 113.62 107.46 2dk4 n SER 9 Ca 0.00 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 2dk4 n SER 9 Cb 0.59 -1.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 2dk4 n SER 9 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dk4 n SER 10 N -2.26 0.00 -3.33 -3.46 2.88 -1.26 -5.14 113.62 101.04 2dk4 n SER 10 Ca -0.13 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.29 2dk4 n SER 10 Cb 0.58 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.97 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 1.96 0.80 0.14 -3.46 -0.87 -1.26 -5.01 114.94 107.24 2dk4 s ASN 11 Ca 0.00 -0.51 -0.04 0.00 -1.57 0.00 0.00 52.86 50.73 2dk4 s ASN 11 Cb 0.00 0.91 -0.06 0.00 -0.02 0.00 0.00 41.25 42.09 2dk4 s ASN 11 CO 0.00 -0.36 1.34 1.55 -2.57 0.00 0.00 177.10 177.06 2dk4 h PRO 12 N 8.18 0.44 -4.96 -0.60 0.13 -1.98 -3.46 132.00 129.76 2dk4 h PRO 12 Ca -0.10 -0.43 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2dk4 h PRO 12 Cb 1.11 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2dk4 h PRO 12 CO 0.29 1.08 -0.06 1.55 -0.23 0.00 0.00 178.00 180.62 2dk4 n VAL 13 N -3.79 0.00 -3.62 1.56 3.14 -1.26 -4.78 118.33 109.58 2dk4 n VAL 13 Ca -0.06 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.29 2dk4 n VAL 13 Cb 0.79 -0.04 -0.06 0.00 -1.06 0.00 0.00 33.84 33.47 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 -4.91 -0.69 -0.48 6.55 2.96 -1.26 -5.11 118.68 115.74 2dk4 s LEU 14 Ca 0.06 1.07 -0.44 0.00 -0.22 0.00 0.00 54.13 54.60 2dk4 s LEU 14 Cb -0.03 1.96 -0.19 0.00 0.50 0.00 0.00 46.19 48.43 2dk4 s LEU 14 CO 0.07 -0.17 1.73 -1.84 -1.32 0.00 0.00 176.35 174.83 2dk4 n GLU 15 N 4.16 0.00 -3.43 1.98 0.28 -1.26 -4.88 120.64 117.50 2dk4 n GLU 15 Ca -0.17 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.84 2dk4 n GLU 15 Cb 0.57 -1.43 -0.05 0.00 1.43 0.00 0.00 31.44 31.96 2dk4 n GLU 15 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2dk4 s LEU 16 N 4.01 -0.47 0.71 -1.84 2.96 -1.26 -5.11 118.68 117.68 2dk4 s LEU 16 Ca 1.06 0.67 -0.17 0.00 -0.22 0.00 0.00 54.13 55.47 2dk4 s LEU 16 Cb -1.43 1.57 -0.14 0.00 0.50 0.00 0.00 46.19 46.69 2dk4 s LEU 16 CO 0.72 -0.10 -0.36 -0.62 -1.32 0.00 0.00 176.35 174.67 2dk4 n GLU 17 N 4.60 0.01 0.00 1.98 -0.58 -1.26 -4.97 120.64 120.42 2dk4 n GLU 17 Ca -0.11 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2dk4 n GLU 17 Cb 0.54 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 2dk4 n GLU 17 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2dk4 n LEU 18 N 2.75 0.00 -2.45 -4.62 7.94 -1.26 -4.93 117.00 114.42 2dk4 n LEU 18 Ca 0.04 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.67 2dk4 n LEU 18 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2dk4 n LEU 18 CO 0.53 0.00 0.22 0.00 -1.11 0.00 0.00 177.39 177.03 2dk4 n ALA 19 N -3.00 5.09 -3.59 1.96 0.00 -1.26 -4.95 120.51 114.76 2dk4 n ALA 19 Ca 0.00 -4.28 -0.40 0.00 0.00 0.00 0.00 53.44 48.76 2dk4 n ALA 19 Cb 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.55 2.65 -0.21 0.00 2.12 -1.26 -4.86 118.70 113.59 2dk4 s GLU 20 Ca 0.48 -2.14 0.14 0.00 0.36 0.00 0.00 54.97 53.81 2dk4 s GLU 20 Cb 0.40 -3.91 0.45 0.00 0.26 0.00 0.00 34.13 31.33 2dk4 s GLU 20 CO -0.18 -1.19 1.35 -0.85 -0.54 0.00 0.00 175.26 173.85 2dk4 n GLU 21 N 4.25 2.03 0.00 4.30 0.28 -1.26 -5.02 120.64 125.22 2dk4 n GLU 21 Ca 0.02 -2.95 0.00 0.00 -0.16 0.00 0.00 57.16 54.06 2dk4 n GLU 21 Cb 0.41 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.55 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 -1.00 0.11 -1.54 3.44 4.81 -1.26 -4.93 118.16 117.78 2dk4 n LYS 22 Ca 0.24 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 2dk4 n LYS 22 Cb 0.86 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.87 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 -1.41 0.00 3.14 4.32 -1.26 -4.95 117.00 116.84 2dk4 n LEU 23 Ca 0.00 2.69 0.00 0.00 -0.02 0.00 0.00 56.01 58.68 2dk4 n LEU 23 Cb 0.00 -3.17 0.00 0.00 -1.62 0.00 0.00 43.42 38.63 2dk4 n LEU 23 CO 0.00 -1.40 0.00 -0.81 -1.22 0.00 0.00 177.39 173.96 2dk4 n PRO 24 N -3.39 -0.13 -1.51 3.23 -0.04 -1.26 -4.79 135.00 127.11 2dk4 n PRO 24 Ca -0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 2dk4 n PRO 24 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.94 0.41 0.02 0.54 2.81 -1.26 -4.74 117.12 113.96 2dk4 n MET 25 Ca 0.00 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.70 2dk4 n MET 25 Cb 0.00 -2.23 -0.14 0.00 -0.71 0.00 0.00 33.22 30.14 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 7.84 0.73 -3.58 2.03 1.35 -1.93 -3.44 112.91 115.91 2dk4 h THR 26 Ca -0.13 -2.43 -0.66 0.00 -0.55 0.00 0.00 66.41 62.64 2dk4 h THR 26 Cb 1.30 2.56 -0.25 0.00 -1.73 0.00 0.00 68.15 70.04 2dk4 h THR 26 CO 1.29 0.85 -0.64 -0.76 -0.25 0.00 0.00 175.52 176.01 2dk4 s LEU 27 N -7.00 3.48 0.89 3.87 1.43 -1.26 -5.09 118.68 115.00 2dk4 s LEU 27 Ca -0.19 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2dk4 s LEU 27 Cb 0.06 -1.88 0.13 0.00 0.03 0.00 0.00 46.19 44.53 2dk4 s LEU 27 CO 0.80 -0.08 1.09 -0.44 0.23 0.00 0.00 176.35 177.94 2dk4 s SER 28 N 1.56 3.52 0.07 2.29 0.01 -1.26 -4.62 113.70 115.27 2dk4 s SER 28 Ca 0.05 1.51 -0.14 0.00 1.31 0.00 0.00 55.95 58.68 2dk4 s SER 28 Cb -0.16 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2dk4 s SER 28 CO 0.02 -2.61 1.10 -2.11 0.41 0.00 0.00 173.24 170.04 2dk4 n ARG 29 N -3.87 -0.20 -0.12 12.44 1.85 -1.26 0.09 116.66 125.59 2dk4 n ARG 29 Ca 0.07 1.08 -0.07 0.00 -1.00 0.00 0.00 57.85 57.93 2dk4 n ARG 29 Cb 0.55 -1.60 -0.01 0.00 -1.05 0.00 0.00 32.46 30.35 2dk4 n ARG 29 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2dk4 h GLN 30 N 0.00 -0.21 -0.41 2.89 4.20 -1.97 1.31 115.11 120.91 2dk4 h GLN 30 Ca 0.07 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.92 2dk4 h GLN 30 Cb 0.19 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2dk4 h GLN 30 CO -0.43 -0.14 0.53 1.49 -0.67 0.00 0.00 178.83 179.60 2dk4 h GLU 31 N -0.22 0.00 0.05 1.46 4.57 -0.66 1.04 114.58 120.81 2dk4 h GLU 31 Ca 0.18 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.02 2dk4 h GLU 31 Cb 0.52 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2dk4 h GLU 31 CO -0.53 0.00 -2.01 0.28 -1.18 0.00 0.00 179.01 175.57 2dk4 n VAL 32 N -3.51 1.64 -0.14 0.32 0.31 0.27 -3.98 118.33 113.23 2dk4 n VAL 32 Ca 0.08 -0.72 -0.08 0.00 -0.01 0.00 0.00 64.34 63.60 2dk4 n VAL 32 Cb 0.69 -1.29 0.06 0.00 -0.91 0.00 0.00 33.84 32.39 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 0.03 1.27 0.00 2.52 2.04 0.62 -2.19 117.51 121.79 2dk4 h ILE 33 Ca -0.41 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2dk4 h ILE 33 Cb 2.04 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2dk4 h ILE 33 CO 0.05 0.43 0.00 -1.14 0.00 0.00 0.00 178.15 177.50 2dk4 n ARG 34 N -4.14 0.00 -0.05 2.37 0.63 0.31 0.36 116.66 116.14 2dk4 n ARG 34 Ca 0.01 0.56 -0.10 0.00 -0.92 0.00 0.00 57.85 57.40 2dk4 n ARG 34 Cb 0.40 -1.38 -0.07 0.00 0.45 0.00 0.00 32.46 31.86 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dk4 h ARG 35 N 0.00 -0.32 -0.99 -0.14 3.08 -1.69 0.47 114.38 114.79 2dk4 h ARG 35 Ca 0.00 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.19 2dk4 h ARG 35 Cb 0.00 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 29.98 2dk4 h ARG 35 CO 0.00 -0.21 -0.49 1.28 -1.07 0.00 0.00 179.97 179.48 2dk4 n LEU 36 N -4.49 -0.85 -0.21 3.04 4.77 -0.82 0.16 117.00 118.60 2dk4 n LEU 36 Ca -0.03 1.74 -0.00 0.00 -0.03 0.00 0.00 56.01 57.69 2dk4 n LEU 36 Cb 0.24 -0.31 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 2dk4 n LEU 36 CO 0.03 -1.49 1.01 0.03 -1.33 0.00 0.00 177.39 175.64 2dk4 h ARG 37 N 0.00 0.46 0.00 3.23 3.08 0.10 1.15 114.38 122.40 2dk4 h ARG 37 Ca 0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2dk4 h ARG 37 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2dk4 h ARG 37 CO -0.96 0.30 0.00 0.39 -1.07 0.00 0.00 179.97 178.64 2dk4 n GLU 38 N -4.95 0.62 -0.07 0.04 -0.58 0.32 -2.64 120.64 113.38 2dk4 n GLU 38 Ca 0.08 0.02 -0.07 0.00 -0.42 0.00 0.00 57.16 56.78 2dk4 n GLU 38 Cb 0.25 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 2dk4 n GLU 38 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2dk4 n ARG 39 N -1.09 1.80 -0.05 3.49 5.12 0.42 -5.02 116.66 121.34 2dk4 n ARG 39 Ca 0.16 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2dk4 n ARG 39 Cb 0.11 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 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 2.23 1.44 3.71 -0.13 0.00 0.34 -5.05 105.19 107.73 2dk4 n GLY 40 Ca -0.22 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.55 2.29 -0.22 1.61 0.41 -0.59 -5.02 118.70 116.63 2dk4 s GLU 41 Ca 0.00 -1.62 -0.29 0.00 -0.41 0.00 0.00 54.97 52.65 2dk4 s GLU 41 Cb 0.00 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 2dk4 s GLU 41 CO 0.00 0.09 1.31 -1.25 -0.49 0.00 0.00 175.26 174.92 2dk4 s PRO 42 N -3.82 4.08 0.64 0.39 0.04 -1.26 -4.40 135.00 130.66 2dk4 s PRO 42 Ca 0.37 1.51 0.34 0.00 0.04 0.00 0.00 61.00 63.26 2dk4 s PRO 42 Cb -0.01 -3.83 1.89 0.00 0.04 0.00 0.00 34.50 32.59 2dk4 s PRO 42 CO 0.22 -0.91 2.13 -0.84 0.04 0.00 0.00 177.00 177.65 2dk4 h ILE 43 N 5.72 0.18 -2.30 0.56 3.07 -1.94 -3.38 117.51 119.42 2dk4 h ILE 43 Ca -0.27 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.08 2dk4 h ILE 43 Cb 1.11 0.84 -0.26 0.00 -0.27 0.00 0.00 36.82 38.23 2dk4 h ILE 43 CO 1.00 0.00 -0.33 -0.60 -1.05 0.00 0.00 178.15 177.17 2dk4 s ARG 44 N -4.32 0.39 0.74 0.16 6.06 -1.26 -4.93 118.95 115.78 2dk4 s ARG 44 Ca -0.04 1.08 -0.11 0.00 -2.50 0.00 0.00 55.73 54.16 2dk4 s ARG 44 Cb 0.13 0.38 0.17 0.00 0.06 0.00 0.00 34.95 35.69 2dk4 s ARG 44 CO 0.42 -0.29 1.01 1.28 -2.50 0.00 0.00 175.30 175.22 2dk4 n LEU 45 N 5.40 0.00 -4.55 -0.88 4.77 -1.26 -4.92 117.00 115.56 2dk4 n LEU 45 Ca -0.08 -1.27 -0.38 0.00 -0.03 0.00 0.00 56.01 54.24 2dk4 n LEU 45 Cb 0.49 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2dk4 n LEU 45 CO -0.00 -1.18 1.78 0.12 -1.33 0.00 0.00 177.39 176.77 2dk4 s PHE 46 N -3.13 1.42 -0.99 -1.77 5.36 -1.26 -2.81 117.98 114.80 2dk4 s PHE 46 Ca 0.59 1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 57.63 2dk4 s PHE 46 Cb -0.02 -3.88 -0.02 0.00 -0.34 0.00 0.00 43.02 38.76 2dk4 s PHE 46 CO 0.41 -2.48 0.84 0.41 -1.46 0.00 0.00 175.22 172.94 2dk4 n GLY 47 N 5.81 -0.43 3.52 13.12 0.00 -1.26 -5.00 105.19 120.93 2dk4 n GLY 47 Ca 0.27 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.88 3.74 0.53 1.61 2.02 -1.12 -5.10 118.70 115.49 2dk4 s GLU 48 Ca 0.12 -0.47 -0.14 0.00 0.02 0.00 0.00 54.97 54.50 2dk4 s GLU 48 Cb -0.02 -3.08 -0.06 0.00 0.10 0.00 0.00 34.13 31.07 2dk4 s GLU 48 CO 0.63 0.14 0.96 -0.08 0.02 0.00 0.00 175.26 176.93 2dk4 s THR 49 N 0.66 4.63 0.21 3.63 -1.32 -1.26 -4.74 115.64 117.46 2dk4 s THR 49 Ca 0.00 1.00 -0.21 0.00 -1.21 0.00 0.00 61.69 61.27 2dk4 s THR 49 Cb -0.14 -3.77 0.16 0.00 -1.51 0.00 0.00 72.50 67.24 2dk4 s THR 49 CO 0.02 -0.80 1.55 0.44 -2.21 0.00 0.00 174.62 173.62 2dk4 h ASP 50 N 0.59 -1.60 -0.90 8.08 5.19 -1.98 1.23 116.42 127.02 2dk4 h ASP 50 Ca -0.46 0.31 0.11 0.00 -0.62 0.00 0.00 57.03 56.37 2dk4 h ASP 50 Cb 1.19 0.80 -0.08 0.00 0.18 0.00 0.00 39.33 41.41 2dk4 h ASP 50 CO 0.62 -0.28 0.53 0.22 -3.12 0.00 0.00 179.24 177.21 2dk4 h TYR 51 N -0.02 0.96 0.69 4.55 5.03 -1.97 0.89 116.97 127.10 2dk4 h TYR 51 Ca 0.29 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.60 2dk4 h TYR 51 Cb 0.55 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2dk4 h TYR 51 CO -0.90 0.37 -0.35 -0.44 -1.32 0.00 0.00 178.16 175.52 2dk4 h ASP 52 N 0.85 -0.85 -0.64 -2.11 5.19 1.00 0.42 116.42 120.27 2dk4 h ASP 52 Ca 0.45 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.90 2dk4 h ASP 52 Cb 0.46 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 2dk4 h ASP 52 CO -0.27 -0.58 0.43 0.00 -3.12 0.00 0.00 179.24 175.69 2dk4 h ALA 53 N -0.65 1.55 0.66 3.45 0.00 0.04 -1.60 119.26 122.70 2dk4 h ALA 53 Ca -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2dk4 h ALA 53 Cb 0.74 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dk4 h ALA 53 CO 0.14 0.42 -0.32 0.35 0.00 0.00 0.00 179.25 179.84 2dk4 h PHE 54 N 0.86 -0.82 -0.61 0.00 3.57 0.13 -2.62 116.94 117.46 2dk4 h PHE 54 Ca 0.24 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.84 2dk4 h PHE 54 Cb -0.09 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 38.81 2dk4 h PHE 54 CO -0.00 -0.51 -0.19 1.96 -2.23 0.00 0.00 178.31 177.33 2dk4 h GLN 55 N -0.94 -0.04 -0.46 1.11 1.08 -0.02 0.27 115.11 116.11 2dk4 h GLN 55 Ca -0.09 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 2dk4 h GLN 55 Cb 0.68 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.05 2dk4 h GLN 55 CO 0.15 -0.03 -0.39 -0.09 -0.95 0.00 0.00 178.83 177.53 2dk4 h ARG 56 N -0.04 -0.14 -0.12 1.46 2.43 -1.25 0.17 114.38 116.89 2dk4 h ARG 56 Ca 0.28 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2dk4 h ARG 56 Cb 0.48 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2dk4 h ARG 56 CO -0.65 -0.09 -0.07 1.25 -1.51 0.00 0.00 179.97 178.91 2dk4 h LEU 57 N -0.14 -0.22 -1.44 3.80 7.12 -0.92 0.12 115.31 123.63 2dk4 h LEU 57 Ca 0.08 0.05 0.21 0.00 0.13 0.00 0.00 57.88 58.34 2dk4 h LEU 57 Cb 0.34 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 2dk4 h LEU 57 CO -0.51 -0.09 0.86 -0.09 -0.13 0.00 0.00 178.44 178.48 2dk4 h ARG 58 N -0.06 0.00 0.06 1.25 1.12 0.12 1.58 114.38 118.45 2dk4 h ARG 58 Ca 0.07 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.60 2dk4 h ARG 58 Cb 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.09 2dk4 h ARG 58 CO -0.16 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 175.88 2dk4 n LYS 59 N -3.39 0.70 -0.14 0.20 4.81 0.41 -4.18 118.16 116.56 2dk4 n LYS 59 Ca 0.15 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.75 2dk4 n LYS 59 Cb 1.10 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 -0.03 3.15 2.04 0.42 -0.35 117.51 123.92 2dk4 h ILE 60 Ca -0.41 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.12 2dk4 h ILE 60 Cb 2.03 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2dk4 h ILE 60 CO 0.06 0.15 0.36 -0.33 0.00 0.00 0.00 178.15 178.39 2dk4 h GLU 61 N 0.56 0.00 0.00 2.37 4.39 -0.60 0.68 114.58 121.98 2dk4 h GLU 61 Ca 0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2dk4 h GLU 61 Cb 0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2dk4 h GLU 61 CO -0.03 0.00 -0.33 0.82 -1.16 0.00 0.00 179.01 178.31 2dk4 h ILE 62 N 0.00 0.02 -0.73 3.13 2.04 -1.26 -3.37 117.51 117.33 2dk4 h ILE 62 Ca 0.01 -1.02 0.12 0.00 1.00 0.00 0.00 64.86 64.98 2dk4 h ILE 62 Cb 0.74 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2dk4 h ILE 62 CO -0.00 0.01 0.33 0.17 0.00 0.00 0.00 178.15 178.65 2dk4 h LEU 63 N -1.00 0.37 -9.21 1.44 8.10 -0.47 -3.43 115.31 111.11 2dk4 h LEU 63 Ca -0.00 0.09 -0.61 0.00 0.11 0.00 0.00 57.88 57.46 2dk4 h LEU 63 Cb 0.34 0.04 0.15 0.00 -0.44 0.00 0.00 40.66 40.75 2dk4 h LEU 63 CO -0.00 0.18 -0.62 0.41 -4.11 0.00 0.00 178.44 174.29 2dk4 n THR 64 N -4.94 1.35 0.09 0.15 -1.04 0.23 -4.93 114.28 105.20 2dk4 n THR 64 Ca 0.13 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.59 2dk4 n THR 64 Cb 0.35 -0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 2dk4 n THR 64 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2dk4 h PRO 65 N 0.56 -0.31 -5.17 -2.82 0.13 -1.89 -3.48 132.00 119.01 2dk4 h PRO 65 Ca -0.39 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2dk4 h PRO 65 Cb 1.42 0.07 0.02 0.00 0.13 0.00 0.00 31.00 32.64 2dk4 h PRO 65 CO 0.49 -0.21 -0.08 0.39 -0.23 0.00 0.00 178.00 178.36 2dk4 n GLU 66 N -4.85 -1.30 -3.59 0.86 -0.58 -1.26 -3.94 120.64 105.99 2dk4 n GLU 66 Ca -0.04 1.35 -0.28 0.00 -0.42 0.00 0.00 57.16 57.77 2dk4 n GLU 66 Cb 0.13 -5.41 0.02 0.00 -0.57 0.00 0.00 31.44 25.60 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dk4 n VAL 67 N -1.85 -4.46 -1.64 2.62 0.31 -1.26 -4.61 118.33 107.43 2dk4 n VAL 67 Ca -0.01 0.06 -0.62 0.00 -0.01 0.00 0.00 64.34 63.76 2dk4 n VAL 67 Cb 0.51 -3.68 -0.09 0.00 -0.91 0.00 0.00 33.84 29.67 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2dk4 n ASN 68 N -1.52 0.96 -4.90 4.52 3.02 -1.25 -4.90 115.26 111.17 2dk4 n ASN 68 Ca -0.19 1.16 -0.28 0.00 -0.03 0.00 0.00 54.58 55.24 2dk4 n ASN 68 Cb 0.67 -0.95 0.05 0.00 -0.61 0.00 0.00 39.78 38.93 2dk4 n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dk4 s LYS 69 N 1.77 2.66 -0.04 3.52 -0.14 -1.26 -5.09 119.74 121.16 2dk4 s LYS 69 Ca 0.97 0.14 -0.01 0.00 -1.36 0.00 0.00 55.97 55.71 2dk4 s LYS 69 Cb -1.32 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 32.74 2dk4 s LYS 69 CO 0.68 -1.02 0.02 0.20 -0.76 0.00 0.00 175.35 174.47 2dk4 s GLY 70 N -4.39 0.25 0.19 -3.33 0.00 -1.26 -4.82 107.32 93.97 2dk4 s GLY 70 Ca 0.57 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.40 2dk4 s GLY 70 CO 0.48 0.93 0.19 -0.45 0.00 0.00 0.00 173.10 174.24 2dk4 s SER 71 N 1.51 0.13 -0.38 1.64 0.15 -1.26 -5.04 113.70 110.45 2dk4 s SER 71 Ca -0.03 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.41 2dk4 s SER 71 Cb -0.13 0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.69 2dk4 s SER 71 CO -0.03 -0.87 0.11 -0.83 1.20 0.00 0.00 173.24 172.82 2dk4 s GLY 72 N -3.10 1.97 0.44 9.45 0.00 -1.26 -4.81 107.32 110.00 2dk4 s GLY 72 Ca 0.32 -2.63 -0.22 0.00 0.00 0.00 0.00 44.72 42.19 2dk4 s GLY 72 CO 0.09 1.04 1.05 2.56 0.00 0.00 0.00 173.10 177.84 2dk4 s PRO 73 N 0.67 4.00 -0.50 2.90 0.04 -1.26 -5.02 135.00 135.83 2dk4 s PRO 73 Ca 0.13 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 2dk4 s PRO 73 Cb -0.21 -2.34 0.13 0.00 0.04 0.00 0.00 34.50 32.12 2dk4 s PRO 73 CO -0.07 -0.28 0.31 0.45 0.04 0.00 0.00 177.00 177.45 2dk4 s SER 74 N -1.75 5.31 -0.29 6.66 0.15 -1.26 -5.02 113.70 117.51 2dk4 s SER 74 Ca 0.62 -2.32 -0.20 0.00 0.70 0.00 0.00 55.95 54.75 2dk4 s SER 74 Cb -0.20 -1.86 0.17 0.00 -1.71 0.00 0.00 66.02 62.43 2dk4 s SER 74 CO 0.24 -0.50 1.21 -0.94 1.20 0.00 0.00 173.24 174.45 2dk4 s SER 75 N 1.52 -0.23 0.00 5.45 1.04 -1.26 -5.31 113.70 114.91 2dk4 s SER 75 Ca 0.11 0.40 0.06 0.00 0.48 0.00 0.00 55.95 57.01 2dk4 s SER 75 Cb -0.22 0.77 0.39 0.00 0.10 0.00 0.00 66.02 67.06 2dk4 s SER 75 CO -0.04 -0.07 0.85 0.61 0.98 0.00 0.00 173.24 175.58