#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 -8.79 -3.55 1.61 7.64 -1.26 -5.08 113.62 104.19 2dk4 n SER 2 Ca 0.00 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.28 2dk4 n SER 2 Cb 0.00 -4.94 -0.06 0.00 -1.01 0.00 0.00 64.21 58.20 2dk4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk4 s SER 3 N -0.51 -0.37 0.00 6.43 1.04 -1.26 -5.17 113.70 113.87 2dk4 s SER 3 Ca 0.00 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2dk4 s SER 3 Cb 0.00 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2dk4 s SER 3 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2dk4 n GLY 4 N 3.89 3.72 3.64 7.32 0.00 -1.26 -5.17 105.19 117.33 2dk4 n GLY 4 Ca -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.05 -0.16 1.61 0.15 -1.26 -5.19 113.70 108.80 2dk4 s SER 5 Ca 0.00 0.03 -0.34 0.00 0.70 0.00 0.00 55.95 56.34 2dk4 s SER 5 Cb 0.00 0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.49 2dk4 s SER 5 CO 0.00 -0.06 1.20 -0.55 1.20 0.00 0.00 173.24 175.03 2dk4 s SER 6 N -1.47 -0.14 0.00 5.45 0.15 -1.26 -5.18 113.70 111.26 2dk4 s SER 6 Ca 0.09 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2dk4 s SER 6 Cb -0.01 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dk4 s SER 6 CO -0.05 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2dk4 n GLY 7 N -0.14 2.12 3.13 9.45 0.00 -1.26 -5.18 105.19 113.31 2dk4 n GLY 7 Ca -0.01 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2dk4 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk4 s THR 8 N -0.09 0.83 0.08 2.61 2.01 -1.26 -5.16 115.64 114.67 2dk4 s THR 8 Ca 0.00 -1.29 0.05 0.00 0.31 0.00 0.00 61.69 60.76 2dk4 s THR 8 Cb 0.00 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2dk4 s THR 8 CO 0.00 -0.37 -0.05 -0.55 -0.69 0.00 0.00 174.62 172.96 2dk4 s SER 9 N -1.85 4.73 -0.14 3.53 0.15 -1.26 -5.12 113.70 113.75 2dk4 s SER 9 Ca -0.04 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.33 2dk4 s SER 9 Cb -0.08 -1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.15 2dk4 s SER 9 CO 0.01 0.19 -0.01 -0.44 1.20 0.00 0.00 173.24 174.19 2dk4 s SER 10 N -2.13 5.04 0.07 5.45 0.01 -1.26 -5.10 113.70 115.79 2dk4 s SER 10 Ca 0.23 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.26 2dk4 s SER 10 Cb -0.11 -1.71 0.05 0.00 0.21 0.00 0.00 66.02 64.46 2dk4 s SER 10 CO 0.15 0.23 0.49 0.54 0.41 0.00 0.00 173.24 175.06 2dk4 s ASN 11 N 0.00 -0.39 0.00 2.44 4.22 -1.26 -5.07 114.94 114.88 2dk4 s ASN 11 Ca 0.02 0.06 -0.21 0.00 -2.14 0.00 0.00 52.86 50.59 2dk4 s ASN 11 Cb -0.13 0.49 -0.22 0.00 1.28 0.00 0.00 41.25 42.67 2dk4 s ASN 11 CO 0.02 -0.75 1.12 1.55 -2.04 0.00 0.00 177.10 177.00 2dk4 h PRO 12 N 2.70 0.37 -1.86 3.55 0.13 -2.06 -3.49 132.00 131.33 2dk4 h PRO 12 Ca -0.32 -0.36 0.21 0.00 -0.87 0.00 0.00 66.00 64.67 2dk4 h PRO 12 Cb 1.23 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 2dk4 h PRO 12 CO 0.42 1.03 -0.32 1.55 -0.23 0.00 0.00 178.00 180.45 2dk4 n VAL 13 N -4.31 0.00 -1.58 1.56 3.14 -1.26 -4.99 118.33 110.89 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 0.60 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 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 -5.59 -4.63 6.55 4.77 -1.26 -4.96 117.00 109.19 2dk4 n LEU 14 Ca 0.00 2.68 -0.29 0.00 -0.03 0.00 0.00 56.01 58.37 2dk4 n LEU 14 Cb 0.59 -2.47 0.20 0.00 -2.33 0.00 0.00 43.42 39.41 2dk4 n LEU 14 CO 0.01 -0.71 0.62 -1.61 -1.33 0.00 0.00 177.39 174.37 2dk4 s GLU 15 N -2.18 -0.23 -0.28 3.23 0.41 -1.26 -5.05 118.70 113.33 2dk4 s GLU 15 Ca 0.00 0.33 -0.03 0.00 -0.41 0.00 0.00 54.97 54.86 2dk4 s GLU 15 Cb 0.00 -1.68 0.10 0.00 -1.78 0.00 0.00 34.13 30.77 2dk4 s GLU 15 CO 0.00 -3.14 0.11 -0.48 -0.49 0.00 0.00 175.26 171.27 2dk4 s LEU 16 N -6.68 1.01 0.41 1.80 2.34 -1.26 -4.98 118.68 111.33 2dk4 s LEU 16 Ca 0.67 -1.31 0.07 0.00 0.06 0.00 0.00 54.13 53.62 2dk4 s LEU 16 Cb -0.16 -0.49 -0.06 0.00 -0.56 0.00 0.00 46.19 44.91 2dk4 s LEU 16 CO 0.58 -0.42 0.13 -1.83 -1.06 0.00 0.00 176.35 173.74 2dk4 s GLU 17 N 1.96 2.14 1.20 1.48 -1.05 -1.26 -5.13 118.70 118.05 2dk4 s GLU 17 Ca 0.08 -1.93 -0.18 0.00 -0.15 0.00 0.00 54.97 52.80 2dk4 s GLU 17 Cb -0.16 -1.88 0.27 0.00 -0.44 0.00 0.00 34.13 31.92 2dk4 s GLU 17 CO -0.30 -0.10 0.60 -0.11 0.95 0.00 0.00 175.26 176.30 2dk4 n LEU 18 N -1.15 -0.83 -3.61 1.83 7.94 -1.26 -5.05 117.00 114.86 2dk4 n LEU 18 Ca -0.02 -0.60 -0.07 0.00 -1.11 0.00 0.00 56.01 54.20 2dk4 n LEU 18 Cb 0.65 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.69 2dk4 n LEU 18 CO 0.47 -3.85 0.93 0.00 -1.11 0.00 0.00 177.39 173.83 2dk4 s ALA 19 N -2.08 -2.02 -0.43 1.96 0.00 -1.26 -5.09 121.76 112.84 2dk4 s ALA 19 Ca 0.48 1.73 0.08 0.00 0.00 0.00 0.00 51.96 54.25 2dk4 s ALA 19 Cb -0.09 -1.16 0.36 0.00 0.00 0.00 0.00 23.12 22.23 2dk4 s ALA 19 CO 0.41 -0.26 1.21 -1.91 0.00 0.00 0.00 175.76 175.21 2dk4 n GLU 20 N 0.93 1.10 -1.11 0.00 2.13 -1.26 -4.97 120.64 117.47 2dk4 n GLU 20 Ca -0.07 -1.98 -0.25 0.00 0.66 0.00 0.00 57.16 55.52 2dk4 n GLU 20 Cb 0.58 -0.62 0.10 0.00 0.27 0.00 0.00 31.44 31.77 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 -0.09 2.24 -0.88 5.31 0.00 -1.26 -5.00 120.64 120.97 2dk4 n GLU 21 Ca 0.03 -2.59 -0.35 0.00 0.00 0.00 0.00 57.16 54.26 2dk4 n GLU 21 Cb 0.77 -2.01 0.09 0.00 0.00 0.00 0.00 31.44 30.28 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2dk4 n LYS 22 N -0.61 -0.33 -4.48 5.31 3.00 -1.26 -5.00 118.16 114.78 2dk4 n LYS 22 Ca 0.50 -0.08 -0.25 0.00 -0.00 0.00 0.00 58.31 58.49 2dk4 n LYS 22 Cb 0.95 -1.43 -0.10 0.00 0.00 0.00 0.00 35.03 34.45 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dk4 s LEU 23 N 3.21 2.71 0.00 3.14 1.43 -1.26 -5.15 118.68 122.77 2dk4 s LEU 23 Ca 0.48 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2dk4 s LEU 23 Cb -0.15 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.98 2dk4 s LEU 23 CO 0.73 -0.10 0.05 -0.81 0.23 0.00 0.00 176.35 176.45 2dk4 n PRO 24 N -0.74 -0.57 -1.82 1.29 -0.04 -1.26 -4.91 135.00 126.96 2dk4 n PRO 24 Ca -0.05 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 2dk4 n PRO 24 Cb 0.62 -0.06 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2dk4 n PRO 24 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2dk4 s MET 25 N -3.11 3.56 -0.24 0.54 1.75 -1.26 -4.83 119.30 115.71 2dk4 s MET 25 Ca 0.03 1.97 -0.04 0.00 -1.25 0.00 0.00 55.69 56.40 2dk4 s MET 25 Cb -0.00 -4.21 -0.17 0.00 2.84 0.00 0.00 34.83 33.29 2dk4 s MET 25 CO 0.02 -1.60 -0.15 0.25 -0.65 0.00 0.00 175.02 172.90 2dk4 n THR 26 N 6.86 1.55 -4.07 10.11 -2.24 -1.26 -4.90 114.28 120.33 2dk4 n THR 26 Ca 0.24 -0.51 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 2dk4 n THR 26 Cb 0.44 -1.60 -0.13 0.00 -2.10 0.00 0.00 70.33 66.95 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 -6.89 3.25 0.70 3.22 1.43 -1.26 -5.10 118.68 114.03 2dk4 s LEU 27 Ca -0.34 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2dk4 s LEU 27 Cb 0.10 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.52 2dk4 s LEU 27 CO 0.60 0.06 1.07 -0.55 0.23 0.00 0.00 176.35 177.76 2dk4 s SER 28 N 1.01 5.30 0.04 2.29 0.15 -1.26 -4.73 113.70 116.50 2dk4 s SER 28 Ca 0.02 0.96 -0.07 0.00 0.70 0.00 0.00 55.95 57.56 2dk4 s SER 28 Cb -0.14 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 2dk4 s SER 28 CO 0.02 -1.38 0.98 -2.11 1.20 0.00 0.00 173.24 171.95 2dk4 n ARG 29 N -2.96 -0.10 -0.18 5.44 1.85 -1.26 0.33 116.66 119.76 2dk4 n ARG 29 Ca 0.07 0.98 -0.04 0.00 -1.00 0.00 0.00 57.85 57.85 2dk4 n ARG 29 Cb 0.58 -1.45 0.02 0.00 -1.05 0.00 0.00 32.46 30.56 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 -0.12 -0.33 2.89 4.15 -1.97 1.71 115.11 121.45 2dk4 h GLN 30 Ca 0.04 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.56 2dk4 h GLN 30 Cb 0.09 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2dk4 h GLN 30 CO -0.22 -0.08 0.38 1.49 -1.93 0.00 0.00 178.83 178.47 2dk4 h GLU 31 N -0.12 0.00 0.01 1.69 4.57 -0.76 0.98 114.58 120.95 2dk4 h GLU 31 Ca 0.25 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.11 2dk4 h GLU 31 Cb 0.51 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 2dk4 h GLU 31 CO -0.63 0.00 -1.91 0.28 -1.18 0.00 0.00 179.01 175.57 2dk4 n VAL 32 N -3.69 1.58 -0.10 0.32 0.31 0.38 -3.94 118.33 113.18 2dk4 n VAL 32 Ca 0.05 -0.79 -0.14 0.00 -0.01 0.00 0.00 64.34 63.45 2dk4 n VAL 32 Cb 0.54 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.44 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 1.27 0.08 2.52 2.04 0.61 -1.58 117.51 122.45 2dk4 h ILE 33 Ca -0.37 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 63.86 2dk4 h ILE 33 Cb 2.06 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 2dk4 h ILE 33 CO 0.06 0.54 -0.19 -0.09 0.00 0.00 0.00 178.15 178.48 2dk4 h ARG 34 N 0.70 -0.28 0.47 2.37 2.43 0.59 0.42 114.38 121.09 2dk4 h ARG 34 Ca 0.04 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2dk4 h ARG 34 Cb 1.06 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2dk4 h ARG 34 CO 0.11 -0.19 -0.43 0.00 -1.51 0.00 0.00 179.97 177.95 2dk4 h ARG 35 N -0.29 -0.86 -0.95 0.20 3.08 -1.68 -1.73 114.38 112.14 2dk4 h ARG 35 Ca -0.01 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.19 2dk4 h ARG 35 Cb 0.28 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.41 2dk4 h ARG 35 CO -0.08 -0.57 -0.55 1.28 -1.07 0.00 0.00 179.97 178.97 2dk4 n LEU 36 N -5.06 -0.99 -0.21 3.04 4.77 -0.59 0.57 117.00 118.52 2dk4 n LEU 36 Ca -0.11 1.69 -0.11 0.00 -0.03 0.00 0.00 56.01 57.46 2dk4 n LEU 36 Cb 0.40 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2dk4 n LEU 36 CO 0.24 -1.38 0.53 0.03 -1.33 0.00 0.00 177.39 175.48 2dk4 h ARG 37 N 0.00 -0.25 -0.91 3.23 3.08 0.09 0.57 114.38 120.19 2dk4 h ARG 37 Ca 0.16 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.35 2dk4 h ARG 37 Cb 0.40 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 2dk4 h ARG 37 CO -0.90 -0.17 0.58 0.93 -1.07 0.00 0.00 179.97 179.35 2dk4 h GLU 38 N -0.26 0.77 0.00 0.04 5.08 0.45 0.88 114.58 121.54 2dk4 h GLU 38 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2dk4 h GLU 38 Cb 0.56 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2dk4 h GLU 38 CO -0.69 0.51 0.00 0.54 -1.00 0.00 0.00 179.01 178.37 2dk4 n ARG 39 N -4.56 0.61 -0.95 2.33 5.12 0.19 -4.83 116.66 114.57 2dk4 n ARG 39 Ca 0.17 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2dk4 n ARG 39 Cb 0.40 -1.50 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 0.55 0.44 3.83 -0.13 0.00 0.30 -4.99 105.19 105.18 2dk4 n GLY 40 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 3.46 -0.22 1.61 0.41 0.14 -4.95 118.70 118.60 2dk4 s GLU 41 Ca 0.00 1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 55.27 2dk4 s GLU 41 Cb 0.00 -2.06 -0.01 0.00 -1.78 0.00 0.00 34.13 30.28 2dk4 s GLU 41 CO 0.00 -0.68 1.31 -1.25 -0.49 0.00 0.00 175.26 174.15 2dk4 s PRO 42 N -4.48 4.08 0.30 0.39 0.04 -1.26 -3.98 135.00 130.09 2dk4 s PRO 42 Ca 0.60 1.51 0.05 0.00 0.04 0.00 0.00 61.00 63.19 2dk4 s PRO 42 Cb -0.13 -3.83 0.78 0.00 0.04 0.00 0.00 34.50 31.36 2dk4 s PRO 42 CO 0.42 -0.90 1.66 -0.84 0.04 0.00 0.00 177.00 177.38 2dk4 h ILE 43 N 5.71 0.35 -3.36 0.56 3.07 -1.92 -3.37 117.51 118.55 2dk4 h ILE 43 Ca -0.27 -0.09 -0.32 0.00 1.55 0.00 0.00 64.86 65.72 2dk4 h ILE 43 Cb 1.11 0.05 -0.36 0.00 -0.27 0.00 0.00 36.82 37.35 2dk4 h ILE 43 CO 1.00 0.05 -0.71 -0.60 -1.05 0.00 0.00 178.15 176.83 2dk4 s ARG 44 N -5.88 -0.04 0.26 0.16 3.00 -1.26 -4.90 118.95 110.30 2dk4 s ARG 44 Ca -0.12 0.33 -0.03 0.00 -1.00 0.00 0.00 55.73 54.91 2dk4 s ARG 44 Cb 0.26 -0.36 0.06 0.00 0.00 0.00 0.00 34.95 34.92 2dk4 s ARG 44 CO 0.78 -0.25 0.36 1.28 0.00 0.00 0.00 175.30 177.46 2dk4 n LEU 45 N 4.80 0.00 -4.35 -0.88 4.32 -1.26 -4.96 117.00 114.66 2dk4 n LEU 45 Ca -0.14 -0.48 -0.44 0.00 -0.02 0.00 0.00 56.01 54.93 2dk4 n LEU 45 Cb 0.50 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 2dk4 n LEU 45 CO 0.13 -0.74 1.45 0.33 -1.22 0.00 0.00 177.39 177.34 2dk4 n PHE 46 N -2.33 4.62 0.00 -1.77 7.35 -1.26 -4.03 117.46 120.05 2dk4 n PHE 46 Ca 0.05 -3.29 0.00 0.00 -0.76 0.00 0.00 57.45 53.45 2dk4 n PHE 46 Cb 0.17 -2.11 0.00 0.00 0.35 0.00 0.00 39.48 37.89 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 3.74 0.87 3.13 7.13 0.00 -1.26 -5.16 105.19 113.65 2dk4 n GLY 47 Ca 0.36 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.82 0.00 1.61 2.02 -1.26 -5.06 118.70 116.83 2dk4 s GLU 48 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.63 2dk4 s GLU 48 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2dk4 s GLU 48 CO 0.00 -0.19 0.00 0.25 0.02 0.00 0.00 175.26 175.34 2dk4 n THR 49 N -0.03 0.00 -0.11 3.63 -2.24 -1.26 -4.88 114.28 109.39 2dk4 n THR 49 Ca -0.09 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 2dk4 n THR 49 Cb 0.63 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 2dk4 n THR 49 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dk4 h ASP 50 N 0.00 0.23 0.44 3.42 5.19 -1.99 0.26 116.42 123.98 2dk4 h ASP 50 Ca 0.00 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 2dk4 h ASP 50 Cb 0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.50 2dk4 h ASP 50 CO 0.00 0.17 -0.21 0.22 -3.12 0.00 0.00 179.24 176.30 2dk4 h TYR 51 N 0.35 -0.55 -0.83 4.55 3.20 -1.96 0.22 116.97 121.95 2dk4 h TYR 51 Ca 0.16 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.18 2dk4 h TYR 51 Cb 0.09 0.18 -0.16 0.00 1.54 0.00 0.00 36.73 38.38 2dk4 h TYR 51 CO -0.11 -0.34 -0.21 0.22 -1.64 0.00 0.00 178.16 176.08 2dk4 h ASP 52 N -1.02 -0.78 -0.15 -2.11 1.82 -1.93 1.37 116.42 113.61 2dk4 h ASP 52 Ca -0.06 0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2dk4 h ASP 52 Cb 0.45 0.52 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 2dk4 h ASP 52 CO 0.10 -0.28 0.04 0.00 -1.61 0.00 0.00 179.24 177.49 2dk4 h ALA 53 N 1.83 0.19 -0.08 -0.78 0.00 -0.52 -1.18 119.26 118.72 2dk4 h ALA 53 Ca 0.40 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2dk4 h ALA 53 Cb 0.61 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2dk4 h ALA 53 CO -0.86 -0.18 -0.18 0.35 0.00 0.00 0.00 179.25 178.39 2dk4 h PHE 54 N 0.05 -0.45 -0.91 0.00 3.57 0.33 -1.22 116.94 118.31 2dk4 h PHE 54 Ca 0.05 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2dk4 h PHE 54 Cb 0.24 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2dk4 h PHE 54 CO 0.00 -0.25 0.59 1.96 -2.23 0.00 0.00 178.31 178.38 2dk4 h GLN 55 N -0.25 0.95 0.51 1.11 1.08 0.16 0.14 115.11 118.82 2dk4 h GLN 55 Ca 0.08 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2dk4 h GLN 55 Cb 0.36 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2dk4 h GLN 55 CO -0.22 0.63 -0.48 -0.09 -0.95 0.00 0.00 178.83 177.72 2dk4 h ARG 56 N 0.98 -0.95 0.19 1.46 2.43 -0.07 -0.95 114.38 117.47 2dk4 h ARG 56 Ca 0.40 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2dk4 h ARG 56 Cb 0.28 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2dk4 h ARG 56 CO -0.16 -0.63 -0.15 1.25 -1.51 0.00 0.00 179.97 178.77 2dk4 h LEU 57 N -0.98 -0.39 -1.44 3.80 7.12 -0.91 0.23 115.31 122.73 2dk4 h LEU 57 Ca -0.06 0.03 0.20 0.00 0.13 0.00 0.00 57.88 58.18 2dk4 h LEU 57 Cb 0.85 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 2dk4 h LEU 57 CO -0.04 -0.24 0.85 -0.09 -0.13 0.00 0.00 178.44 178.79 2dk4 h ARG 58 N -0.35 0.00 0.05 1.25 1.12 -0.56 1.57 114.38 117.46 2dk4 h ARG 58 Ca -0.01 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.52 2dk4 h ARG 58 Cb 0.32 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.24 2dk4 h ARG 58 CO -0.02 0.00 -2.00 1.17 -3.11 0.00 0.00 179.97 176.01 2dk4 n LYS 59 N -3.38 0.69 -0.11 0.20 3.00 -0.19 -3.87 118.16 114.50 2dk4 n LYS 59 Ca 0.14 0.23 -0.09 0.00 -0.00 0.00 0.00 58.31 58.59 2dk4 n LYS 59 Cb 1.07 -1.69 -0.01 0.00 0.00 0.00 0.00 35.03 34.40 2dk4 n LYS 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2dk4 h ILE 60 N 0.03 1.15 -0.86 3.15 2.04 0.52 -2.08 117.51 121.46 2dk4 h ILE 60 Ca -0.41 -0.41 0.12 0.00 1.00 0.00 0.00 64.86 65.16 2dk4 h ILE 60 Cb 2.03 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 38.82 2dk4 h ILE 60 CO 0.06 0.16 0.48 -0.33 0.00 0.00 0.00 178.15 178.52 2dk4 h GLU 61 N 0.43 0.72 0.35 2.37 4.39 -0.53 -1.13 114.58 121.19 2dk4 h GLU 61 Ca 0.12 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2dk4 h GLU 61 Cb 0.09 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2dk4 h GLU 61 CO -0.02 0.48 -0.20 0.82 -1.16 0.00 0.00 179.01 178.92 2dk4 h ILE 62 N 0.74 0.58 -0.12 3.13 2.04 -1.54 -3.10 117.51 119.23 2dk4 h ILE 62 Ca 0.44 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.32 2dk4 h ILE 62 Cb 0.52 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2dk4 h ILE 62 CO -0.30 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 177.48 2dk4 h LEU 63 N -0.53 -0.95 -9.30 1.44 3.38 -0.63 -3.41 115.31 105.31 2dk4 h LEU 63 Ca -0.04 0.12 -0.61 0.00 0.09 0.00 0.00 57.88 57.44 2dk4 h LEU 63 Cb 0.43 0.38 0.15 0.00 0.09 0.00 0.00 40.66 41.70 2dk4 h LEU 63 CO 0.05 -0.24 -0.44 0.41 0.09 0.00 0.00 178.44 178.31 2dk4 n THR 64 N -4.10 1.69 0.10 0.22 -1.04 -0.52 -4.93 114.28 105.69 2dk4 n THR 64 Ca -0.03 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.43 2dk4 n THR 64 Cb 0.19 -0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.78 -0.33 -6.23 -2.82 0.13 -1.83 -3.43 132.00 118.28 2dk4 h PRO 65 Ca -0.40 0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.18 2dk4 h PRO 65 Cb 1.40 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.59 2dk4 h PRO 65 CO 0.51 -0.22 1.26 -1.21 -0.23 0.00 0.00 178.00 178.12 2dk4 s GLU 66 N -2.65 3.55 -0.29 0.86 2.02 -1.26 -4.92 118.70 116.01 2dk4 s GLU 66 Ca -0.05 1.77 -0.15 0.00 0.02 0.00 0.00 54.97 56.56 2dk4 s GLU 66 Cb 0.00 -4.17 0.14 0.00 0.10 0.00 0.00 34.13 30.21 2dk4 s GLU 66 CO 0.15 -1.60 0.89 0.54 0.02 0.00 0.00 175.26 175.26 2dk4 s VAL 67 N 6.30 -0.36 -0.81 2.63 0.11 -1.26 -5.06 120.40 121.95 2dk4 s VAL 67 Ca 0.82 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.66 2dk4 s VAL 67 Cb -0.28 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.67 2dk4 s VAL 67 CO 0.33 0.00 1.06 0.20 -3.33 0.00 0.00 175.10 173.36 2dk4 s ASN 68 N 2.06 6.42 -0.21 3.54 -0.87 -1.26 -4.96 114.94 119.66 2dk4 s ASN 68 Ca -0.06 -1.56 -0.02 0.00 -1.57 0.00 0.00 52.86 49.66 2dk4 s ASN 68 Cb -0.06 -2.41 0.06 0.00 -0.02 0.00 0.00 41.25 38.82 2dk4 s ASN 68 CO -0.17 -1.24 0.00 -0.75 -2.57 0.00 0.00 177.10 172.37 2dk4 s LYS 69 N 3.36 1.01 -0.52 -0.60 2.47 -1.26 -5.09 119.74 119.11 2dk4 s LYS 69 Ca 0.28 -0.61 -0.26 0.00 -1.56 0.00 0.00 55.97 53.82 2dk4 s LYS 69 Cb -0.10 -2.26 0.03 0.00 -1.46 0.00 0.00 37.83 34.04 2dk4 s LYS 69 CO -0.01 -0.62 0.98 0.20 0.16 0.00 0.00 175.35 176.07 2dk4 s GLY 70 N 1.69 1.39 0.26 5.54 0.00 -1.26 -5.00 107.32 109.93 2dk4 s GLY 70 Ca -0.03 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.78 2dk4 s GLY 70 CO -0.07 2.13 0.00 -0.45 0.00 0.00 0.00 173.10 174.71 2dk4 s SER 71 N 2.60 2.05 0.00 1.64 0.15 -1.26 -5.16 113.70 113.72 2dk4 s SER 71 Ca 0.36 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2dk4 s SER 71 Cb -0.10 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2dk4 s SER 71 CO 0.24 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2dk4 n GLY 72 N -0.50 5.47 3.80 9.45 0.00 -1.26 -5.16 105.19 116.99 2dk4 n GLY 72 Ca -0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 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 3.04 1.79 -0.34 1.61 0.04 -1.26 -5.07 135.00 134.81 2dk4 s PRO 73 Ca 0.00 0.53 0.04 0.00 0.04 0.00 0.00 61.00 61.61 2dk4 s PRO 73 Cb 0.00 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.84 2dk4 s PRO 73 CO 0.00 -1.80 0.67 -1.54 0.04 0.00 0.00 177.00 174.37 2dk4 s SER 74 N -3.95 -1.41 -0.41 6.66 1.04 -1.26 -5.02 113.70 109.35 2dk4 s SER 74 Ca 0.62 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.66 2dk4 s SER 74 Cb -0.14 1.84 0.02 0.00 0.10 0.00 0.00 66.02 67.83 2dk4 s SER 74 CO 0.54 -0.21 0.51 -0.24 0.98 0.00 0.00 173.24 174.82 2dk4 n SER 75 N 4.87 -7.86 0.00 7.02 2.88 -1.26 -5.19 113.62 114.08 2dk4 n SER 75 Ca 0.08 0.63 0.09 0.00 -1.33 0.00 0.00 58.87 58.35 2dk4 n SER 75 Cb 0.56 -5.20 0.56 0.00 -0.75 0.00 0.00 64.21 59.38 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42