#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 -0.29 0.46 1.61 0.15 -1.26 -5.14 113.70 109.23 2dk4 s SER 2 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2dk4 s SER 2 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2dk4 s SER 2 CO 0.00 -0.78 0.00 -1.20 1.20 0.00 0.00 173.24 172.46 2dk4 n SER 3 N -0.36 -8.15 0.00 5.45 7.64 -1.26 -5.08 113.62 111.87 2dk4 n SER 3 Ca -0.08 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2dk4 n SER 3 Cb 0.61 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 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 -0.70 2.53 3.65 0.23 0.00 -1.26 -5.18 105.19 104.47 2dk4 n GLY 4 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.00 0.00 1.61 0.15 -1.26 -5.18 113.70 109.01 2dk4 s SER 5 Ca 0.00 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2dk4 s SER 5 Cb 0.00 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dk4 s SER 5 CO 0.00 -0.00 0.00 -1.20 1.20 0.00 0.00 173.24 173.24 2dk4 n SER 6 N 0.24 0.00 0.00 5.45 7.64 -1.26 -5.19 113.62 120.50 2dk4 n SER 6 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2dk4 n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2dk4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk4 n GLY 7 N -0.20 1.07 3.57 0.23 0.00 -1.26 -5.18 105.19 103.42 2dk4 n GLY 7 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 0.00 -0.22 2.61 -1.32 -1.26 -5.18 115.64 108.26 2dk4 s THR 8 Ca 0.00 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.15 2dk4 s THR 8 Cb 0.00 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 2dk4 s THR 8 CO 0.00 0.00 1.25 -0.44 -2.21 0.00 0.00 174.62 173.22 2dk4 s SER 9 N -1.04 -0.12 0.00 8.08 0.01 -1.26 -5.19 113.70 114.18 2dk4 s SER 9 Ca -0.03 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2dk4 s SER 9 Cb -0.01 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2dk4 s SER 9 CO 0.03 -0.17 0.00 -1.54 0.41 0.00 0.00 173.24 171.97 2dk4 n SER 10 N 0.18 0.00 -3.15 2.44 3.41 -1.26 -5.15 113.62 110.09 2dk4 n SER 10 Ca -0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2dk4 n SER 10 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2dk4 n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dk4 s ASN 11 N 0.00 -0.54 0.08 4.04 4.22 -1.26 -5.04 114.94 116.45 2dk4 s ASN 11 Ca 0.00 0.06 -0.14 0.00 -2.14 0.00 0.00 52.86 50.64 2dk4 s ASN 11 Cb 0.00 1.33 -0.21 0.00 1.28 0.00 0.00 41.25 43.66 2dk4 s ASN 11 CO 0.00 -0.10 1.23 1.55 -2.04 0.00 0.00 177.10 177.74 2dk4 h PRO 12 N 7.31 0.74 0.00 3.55 0.13 -2.10 -3.49 132.00 138.15 2dk4 h PRO 12 Ca -0.08 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2dk4 h PRO 12 Cb 1.18 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 2dk4 h PRO 12 CO -0.07 1.31 -0.00 1.55 -0.23 0.00 0.00 178.00 180.55 2dk4 n VAL 13 N -3.89 0.00 -3.65 1.56 3.14 -1.26 -4.93 118.33 109.31 2dk4 n VAL 13 Ca -0.10 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.27 2dk4 n VAL 13 Cb 0.84 -0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.55 2dk4 n VAL 13 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2dk4 s LEU 14 N 0.00 -0.36 -0.29 6.55 2.34 -1.26 -5.14 118.68 120.51 2dk4 s LEU 14 Ca 0.00 0.58 0.04 0.00 0.06 0.00 0.00 54.13 54.82 2dk4 s LEU 14 Cb 0.00 1.53 0.20 0.00 -0.56 0.00 0.00 46.19 47.36 2dk4 s LEU 14 CO 0.00 -0.09 0.58 -0.70 -1.06 0.00 0.00 176.35 175.08 2dk4 s GLU 15 N 1.25 0.55 -0.30 1.48 2.12 -1.26 -5.13 118.70 117.41 2dk4 s GLU 15 Ca -0.09 0.62 -0.16 0.00 0.36 0.00 0.00 54.97 55.70 2dk4 s GLU 15 Cb -0.03 0.27 0.17 0.00 0.26 0.00 0.00 34.13 34.80 2dk4 s GLU 15 CO -0.13 -0.96 1.04 -1.17 -0.54 0.00 0.00 175.26 173.50 2dk4 s LEU 16 N 2.82 -0.47 -0.25 2.70 2.96 -1.26 -5.17 118.68 120.01 2dk4 s LEU 16 Ca 0.12 0.66 -0.20 0.00 -0.22 0.00 0.00 54.13 54.50 2dk4 s LEU 16 Cb -0.11 1.56 0.07 0.00 0.50 0.00 0.00 46.19 48.21 2dk4 s LEU 16 CO -0.25 -0.10 0.66 -1.61 -1.32 0.00 0.00 176.35 173.73 2dk4 s GLU 17 N 2.12 0.73 0.37 1.98 8.01 -1.26 -5.18 118.70 125.47 2dk4 s GLU 17 Ca -0.04 1.02 0.05 0.00 0.01 0.00 0.00 54.97 56.01 2dk4 s GLU 17 Cb -0.05 0.27 -0.03 0.00 -4.31 0.00 0.00 34.13 30.02 2dk4 s GLU 17 CO -0.16 -0.12 0.19 -0.48 0.01 0.00 0.00 175.26 174.70 2dk4 s LEU 18 N 0.85 1.85 -0.50 1.80 2.34 -1.26 -5.12 118.68 118.64 2dk4 s LEU 18 Ca -0.04 -1.69 0.03 0.00 0.06 0.00 0.00 54.13 52.49 2dk4 s LEU 18 Cb -0.05 0.19 0.16 0.00 -0.56 0.00 0.00 46.19 45.92 2dk4 s LEU 18 CO -0.07 -0.98 0.34 0.00 -1.06 0.00 0.00 176.35 174.58 2dk4 s ALA 19 N -3.36 2.29 0.10 1.48 0.00 -1.26 -5.08 121.76 115.93 2dk4 s ALA 19 Ca 0.31 -2.84 -0.26 0.00 0.00 0.00 0.00 51.96 49.17 2dk4 s ALA 19 Cb 0.03 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.38 2dk4 s ALA 19 CO 0.20 -2.05 1.11 -1.21 0.00 0.00 0.00 175.76 173.81 2dk4 s GLU 20 N -0.18 0.93 -1.21 0.00 2.02 -1.26 -4.96 118.70 114.03 2dk4 s GLU 20 Ca 0.24 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.53 2dk4 s GLU 20 Cb -0.10 0.29 0.15 0.00 0.10 0.00 0.00 34.13 34.57 2dk4 s GLU 20 CO -0.11 -0.43 0.39 0.39 0.02 0.00 0.00 175.26 175.52 2dk4 n GLU 21 N -0.60 -1.64 -0.77 1.61 4.71 -1.26 -4.82 120.64 117.88 2dk4 n GLU 21 Ca -0.05 0.11 -0.33 0.00 -0.01 0.00 0.00 57.16 56.88 2dk4 n GLU 21 Cb 0.61 -4.67 0.13 0.00 -1.01 0.00 0.00 31.44 26.50 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2dk4 n LYS 22 N -3.52 -0.95 -3.82 3.49 4.81 -1.26 -4.98 118.16 111.94 2dk4 n LYS 22 Ca 0.07 -0.26 -0.26 0.00 -0.87 0.00 0.00 58.31 57.00 2dk4 n LYS 22 Cb 0.47 -1.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.87 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dk4 s LEU 23 N 0.43 4.28 1.11 3.14 1.43 -1.26 -5.04 118.68 122.77 2dk4 s LEU 23 Ca 0.53 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.71 2dk4 s LEU 23 Cb -0.12 -3.03 0.26 0.00 0.03 0.00 0.00 46.19 43.32 2dk4 s LEU 23 CO 0.68 -0.01 1.23 -2.16 0.23 0.00 0.00 176.35 176.31 2dk4 s PRO 24 N -3.39 -0.49 0.40 1.29 0.04 -1.26 -4.96 135.00 126.63 2dk4 s PRO 24 Ca 0.36 -0.32 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 2dk4 s PRO 24 Cb -0.11 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 2dk4 s PRO 24 CO 0.29 -3.18 0.93 -0.12 0.04 0.00 0.00 177.00 174.96 2dk4 n MET 25 N -4.33 1.21 0.01 4.56 1.56 -1.26 -4.91 117.12 113.96 2dk4 n MET 25 Ca 0.15 0.43 0.00 0.00 -0.27 0.00 0.00 57.70 58.02 2dk4 n MET 25 Cb 0.59 -1.92 0.00 0.00 2.15 0.00 0.00 33.22 34.05 2dk4 n MET 25 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2dk4 n THR 26 N -0.45 0.04 -3.87 1.12 -2.24 -1.26 -5.07 114.28 102.56 2dk4 n THR 26 Ca 0.10 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.53 2dk4 n THR 26 Cb 0.38 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 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 -5.58 4.28 0.68 3.22 1.43 -1.26 -5.10 118.68 116.35 2dk4 s LEU 27 Ca 0.00 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 2dk4 s LEU 27 Cb 0.00 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2dk4 s LEU 27 CO 0.00 0.34 1.03 -0.94 0.23 0.00 0.00 176.35 177.01 2dk4 s SER 28 N -0.60 5.36 0.04 2.29 1.04 -1.26 -4.75 113.70 115.82 2dk4 s SER 28 Ca 0.13 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 2dk4 s SER 28 Cb -0.12 -1.73 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 2dk4 s SER 28 CO 0.02 -1.32 1.02 -2.11 0.98 0.00 0.00 173.24 171.83 2dk4 n ARG 29 N -2.89 -0.10 -0.20 4.02 0.00 -1.26 0.47 116.66 116.69 2dk4 n ARG 29 Ca 0.06 1.01 -0.00 0.00 -0.00 0.00 0.00 57.85 58.92 2dk4 n ARG 29 Cb 0.58 -1.51 0.08 0.00 -0.00 0.00 0.00 32.46 31.61 2dk4 n ARG 29 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2dk4 h GLN 30 N 0.00 0.06 -0.18 2.89 4.20 -1.97 1.69 115.11 121.81 2dk4 h GLN 30 Ca 0.04 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2dk4 h GLN 30 Cb 0.10 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2dk4 h GLN 30 CO -0.22 0.04 0.24 1.49 -0.67 0.00 0.00 178.83 179.70 2dk4 h GLU 31 N 0.06 0.00 0.03 1.46 4.81 -0.63 0.71 114.58 121.02 2dk4 h GLU 31 Ca 0.30 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.19 2dk4 h GLU 31 Cb 0.48 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2dk4 h GLU 31 CO -0.55 0.00 -2.08 0.28 -0.73 0.00 0.00 179.01 175.93 2dk4 n VAL 32 N -3.61 1.57 -0.13 0.32 0.31 0.32 -4.09 118.33 113.02 2dk4 n VAL 32 Ca 0.02 -0.74 -0.08 0.00 -0.01 0.00 0.00 64.34 63.52 2dk4 n VAL 32 Cb 0.35 -1.10 0.08 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.02 1.26 0.05 2.52 2.04 0.43 -1.85 117.51 121.99 2dk4 h ILE 33 Ca -0.44 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2dk4 h ILE 33 Cb 2.06 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2dk4 h ILE 33 CO 0.04 0.43 -0.15 0.03 0.00 0.00 0.00 178.15 178.50 2dk4 h ARG 34 N 0.78 -0.22 0.28 2.37 3.08 0.14 0.33 114.38 121.14 2dk4 h ARG 34 Ca 0.12 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2dk4 h ARG 34 Cb 0.65 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 2dk4 h ARG 34 CO 0.05 -0.14 -0.51 0.00 -1.07 0.00 0.00 179.97 178.29 2dk4 h ARG 35 N -0.22 -0.82 -0.26 0.04 -0.00 -1.70 -0.50 114.38 110.91 2dk4 h ARG 35 Ca -0.00 0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.55 2dk4 h ARG 35 Cb 0.22 0.19 -0.03 0.00 0.00 0.00 0.00 29.97 30.34 2dk4 h ARG 35 CO -0.07 -0.55 -0.16 -0.07 0.00 0.00 0.00 179.97 179.12 2dk4 h LEU 36 N -0.85 -0.58 -0.84 3.04 3.38 -1.25 1.22 115.31 119.43 2dk4 h LEU 36 Ca -0.03 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.18 2dk4 h LEU 36 Cb 0.80 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 2dk4 h LEU 36 CO -0.19 -0.07 -0.32 0.03 0.09 0.00 0.00 178.44 177.98 2dk4 h ARG 37 N -0.01 -0.05 -0.53 1.13 3.08 -0.15 1.58 114.38 119.43 2dk4 h ARG 37 Ca 0.04 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2dk4 h ARG 37 Cb 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2dk4 h ARG 37 CO -0.25 -0.03 0.35 0.93 -1.07 0.00 0.00 179.97 179.90 2dk4 h GLU 38 N -0.05 0.58 -0.00 0.04 4.39 0.11 0.29 114.58 119.93 2dk4 h GLU 38 Ca 0.34 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2dk4 h GLU 38 Cb 0.60 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2dk4 h GLU 38 CO -0.87 0.38 -0.10 0.54 -1.16 0.00 0.00 179.01 177.80 2dk4 n ARG 39 N -4.47 0.50 -1.00 2.33 1.74 0.46 -4.88 116.66 111.33 2dk4 n ARG 39 Ca 0.06 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2dk4 n ARG 39 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2dk4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dk4 n GLY 40 N 1.32 0.51 3.83 -0.13 0.00 0.30 -5.02 105.19 106.01 2dk4 n GLY 40 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.08 3.56 -0.20 1.61 0.41 0.15 -4.92 118.70 119.22 2dk4 s GLU 41 Ca 0.00 0.98 -0.29 0.00 -0.41 0.00 0.00 54.97 55.25 2dk4 s GLU 41 Cb 0.00 -2.07 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 2dk4 s GLU 41 CO 0.00 -0.60 1.30 -1.25 -0.49 0.00 0.00 175.26 174.22 2dk4 s PRO 42 N -4.43 4.13 0.25 0.39 0.04 -1.26 -3.87 135.00 130.25 2dk4 s PRO 42 Ca 0.59 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 2dk4 s PRO 42 Cb -0.12 -3.81 0.42 0.00 0.04 0.00 0.00 34.50 31.03 2dk4 s PRO 42 CO 0.41 -0.84 1.82 -0.84 0.04 0.00 0.00 177.00 177.58 2dk4 h ILE 43 N 5.64 0.93 -3.25 0.56 -0.00 -1.94 -3.38 117.51 116.08 2dk4 h ILE 43 Ca -0.27 -0.29 -0.48 0.00 -0.00 0.00 0.00 64.86 63.81 2dk4 h ILE 43 Cb 1.11 -0.00 -0.39 0.00 -0.00 0.00 0.00 36.82 37.53 2dk4 h ILE 43 CO 0.99 0.16 -0.76 -0.60 -0.00 0.00 0.00 178.15 177.93 2dk4 s ARG 44 N -6.02 0.60 0.16 0.16 6.06 -1.26 -4.89 118.95 113.76 2dk4 s ARG 44 Ca -0.12 -0.20 -0.03 0.00 -2.50 0.00 0.00 55.73 52.88 2dk4 s ARG 44 Cb 0.20 -1.68 0.04 0.00 0.06 0.00 0.00 34.95 33.57 2dk4 s ARG 44 CO 0.79 -0.52 0.17 1.28 -2.50 0.00 0.00 175.30 174.52 2dk4 n LEU 45 N 5.10 0.00 -4.21 -0.88 4.77 -1.26 -4.93 117.00 115.60 2dk4 n LEU 45 Ca -0.08 -0.19 -0.44 0.00 -0.03 0.00 0.00 56.01 55.28 2dk4 n LEU 45 Cb 0.48 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2dk4 n LEU 45 CO 0.12 -0.96 1.38 0.33 -1.33 0.00 0.00 177.39 176.93 2dk4 n PHE 46 N -2.61 4.07 0.00 -1.77 -0.00 -1.26 -4.13 117.46 111.75 2dk4 n PHE 46 Ca 0.02 -3.20 0.00 0.00 -0.00 0.00 0.00 57.45 54.27 2dk4 n PHE 46 Cb 0.08 -1.88 0.00 0.00 -0.00 0.00 0.00 39.48 37.69 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dk4 n GLY 47 N 3.01 0.86 3.72 7.13 0.00 -1.26 -5.15 105.19 113.49 2dk4 n GLY 47 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 0.29 2.12 0.00 1.61 2.02 -1.26 -5.11 118.70 118.37 2dk4 s GLU 48 Ca 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 54.97 52.68 2dk4 s GLU 48 Cb 0.00 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.66 2dk4 s GLU 48 CO 0.00 -0.27 0.00 0.25 0.02 0.00 0.00 175.26 175.26 2dk4 n THR 49 N -1.18 0.00 0.20 3.63 -2.24 -1.26 -4.96 114.28 108.47 2dk4 n THR 49 Ca -0.15 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2dk4 n THR 49 Cb 0.67 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.00 0.16 3.42 3.32 -1.99 -2.41 116.42 118.92 2dk4 h ASP 50 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2dk4 h ASP 50 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2dk4 h ASP 50 CO 0.00 0.26 -2.03 0.00 -1.72 0.00 0.00 179.24 175.75 2dk4 n TYR 51 N -3.25 1.01 0.07 4.55 4.19 -1.26 -3.21 117.16 119.26 2dk4 n TYR 51 Ca 0.02 0.24 -0.13 0.00 3.31 0.00 0.00 57.90 61.34 2dk4 n TYR 51 Cb 0.55 -1.14 -0.08 0.00 0.49 0.00 0.00 39.34 39.17 2dk4 n TYR 51 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 2dk4 h ASP 52 N 0.05 -0.09 -0.72 2.98 1.82 -1.94 0.13 116.42 118.65 2dk4 h ASP 52 Ca -0.43 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.12 2dk4 h ASP 52 Cb 2.02 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 42.02 2dk4 h ASP 52 CO 0.06 0.02 0.41 0.00 -1.61 0.00 0.00 179.24 178.13 2dk4 h ALA 53 N 0.71 1.35 0.62 -0.78 0.00 -1.62 -1.21 119.26 118.33 2dk4 h ALA 53 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2dk4 h ALA 53 Cb 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2dk4 h ALA 53 CO 0.02 0.54 -0.30 0.35 0.00 0.00 0.00 179.25 179.86 2dk4 h PHE 54 N 1.02 -0.77 -1.01 0.00 3.57 -1.41 -2.16 116.94 116.17 2dk4 h PHE 54 Ca 0.26 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 62.00 2dk4 h PHE 54 Cb 0.00 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 2dk4 h PHE 54 CO 0.01 -0.48 0.67 1.96 -2.23 0.00 0.00 178.31 178.24 2dk4 h GLN 55 N -0.88 0.30 0.68 1.11 1.08 -0.66 0.25 115.11 116.99 2dk4 h GLN 55 Ca -0.09 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 2dk4 h GLN 55 Cb 0.64 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2dk4 h GLN 55 CO 0.14 0.20 -0.44 -0.09 -0.95 0.00 0.00 178.83 177.69 2dk4 h ARG 56 N 0.31 -1.01 0.13 1.46 2.43 -0.94 -1.29 114.38 115.46 2dk4 h ARG 56 Ca 0.54 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.78 2dk4 h ARG 56 Cb 1.54 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 2dk4 h ARG 56 CO -0.20 -0.68 -0.06 1.25 -1.51 0.00 0.00 179.97 178.77 2dk4 h LEU 57 N -1.05 -0.15 -1.39 3.80 7.12 -0.57 0.67 115.31 123.74 2dk4 h LEU 57 Ca -0.09 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.11 2dk4 h LEU 57 Cb 0.85 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.99 2dk4 h LEU 57 CO 0.08 -0.10 0.84 -0.09 -0.13 0.00 0.00 178.44 179.03 2dk4 h ARG 58 N -0.17 0.00 0.05 1.25 1.12 -0.48 1.62 114.38 117.77 2dk4 h ARG 58 Ca -0.02 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.51 2dk4 h ARG 58 Cb 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.05 2dk4 h ARG 58 CO 0.03 0.00 -2.01 1.17 -3.11 0.00 0.00 179.97 176.05 2dk4 n LYS 59 N -3.32 0.70 -0.12 0.20 3.00 -0.38 -4.03 118.16 114.20 2dk4 n LYS 59 Ca 0.13 0.23 -0.09 0.00 -0.00 0.00 0.00 58.31 58.59 2dk4 n LYS 59 Cb 1.05 -1.69 -0.01 0.00 0.00 0.00 0.00 35.03 34.38 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 1.16 -0.96 3.15 2.04 0.44 -1.97 117.51 121.38 2dk4 h ILE 60 Ca -0.41 -0.43 0.20 0.00 1.00 0.00 0.00 64.86 65.22 2dk4 h ILE 60 Cb 2.03 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 2dk4 h ILE 60 CO 0.06 0.16 0.61 -0.33 0.00 0.00 0.00 178.15 178.66 2dk4 h GLU 61 N 0.48 0.56 0.82 2.37 4.39 -0.56 -1.54 114.58 121.11 2dk4 h GLU 61 Ca 0.13 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2dk4 h GLU 61 Cb 0.09 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2dk4 h GLU 61 CO -0.02 0.37 -0.39 0.82 -1.16 0.00 0.00 179.01 178.63 2dk4 h ILE 62 N 0.58 0.00 0.00 3.13 2.04 -1.51 -3.35 117.51 118.39 2dk4 h ILE 62 Ca 0.53 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.22 2dk4 h ILE 62 Cb 1.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2dk4 h ILE 62 CO -0.27 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.06 2dk4 n LEU 63 N -5.42 0.00 -3.94 1.44 4.77 -0.64 -4.59 117.00 108.62 2dk4 n LEU 63 Ca -0.14 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 2dk4 n LEU 63 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2dk4 n LEU 63 CO 0.33 0.00 -0.47 1.07 -1.33 0.00 0.00 177.39 176.99 2dk4 n THR 64 N -0.51 0.38 -0.23 -5.08 5.66 -0.86 -4.95 114.28 108.69 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 1.29 0.53 -3.37 1.09 -0.04 -1.26 -4.69 135.00 128.55 2dk4 n PRO 65 Ca 0.09 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 2dk4 n PRO 65 Cb 0.39 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.39 -1.57 -2.68 0.54 2.13 -1.26 -4.94 120.64 112.47 2dk4 n GLU 66 Ca 0.00 1.25 -0.05 0.00 0.66 0.00 0.00 57.16 59.03 2dk4 n GLU 66 Cb 0.00 -1.74 0.11 0.00 0.27 0.00 0.00 31.44 30.08 2dk4 n GLU 66 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2dk4 n VAL 67 N 0.08 0.00 -2.91 6.31 3.14 -1.26 -5.11 118.33 118.59 2dk4 n VAL 67 Ca -0.07 -0.89 -0.43 0.00 -2.96 0.00 0.00 64.34 59.98 2dk4 n VAL 67 Cb 0.63 1.20 -0.05 0.00 -1.06 0.00 0.00 33.84 34.56 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2dk4 s ASN 68 N -0.51 6.29 -0.08 6.55 2.47 -1.26 -4.97 114.94 123.42 2dk4 s ASN 68 Ca 0.21 -0.56 -0.04 0.00 0.42 0.00 0.00 52.86 52.89 2dk4 s ASN 68 Cb 0.29 -2.40 0.04 0.00 -1.45 0.00 0.00 41.25 37.73 2dk4 s ASN 68 CO -0.16 -1.19 0.20 -0.75 -3.72 0.00 0.00 177.10 171.49 2dk4 s LYS 69 N 3.68 0.16 0.34 0.43 2.20 -1.26 -5.13 119.74 120.16 2dk4 s LYS 69 Ca 0.26 0.43 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 2dk4 s LYS 69 Cb -0.15 -0.12 -0.14 0.00 -1.51 0.00 0.00 37.83 35.92 2dk4 s LYS 69 CO 0.16 -0.15 0.63 0.41 -0.36 0.00 0.00 175.35 176.05 2dk4 n GLY 70 N 4.07 -1.30 0.45 5.54 0.00 -1.26 -4.87 105.19 107.83 2dk4 n GLY 70 Ca -0.24 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2dk4 n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dk4 h SER 71 N 1.13 -1.43 -4.03 1.61 0.02 -2.01 -3.48 113.55 105.35 2dk4 h SER 71 Ca -0.37 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2dk4 h SER 71 Cb 1.40 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2dk4 h SER 71 CO 0.55 -0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2dk4 n GLY 72 N -1.48 4.46 3.79 -3.77 0.00 -1.26 -5.14 105.19 101.80 2dk4 n GLY 72 Ca -0.08 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.27 1.57 0.20 1.61 0.04 -1.26 -5.04 135.00 128.85 2dk4 s PRO 73 Ca 0.00 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 2dk4 s PRO 73 Cb 0.00 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 2dk4 s PRO 73 CO 0.00 -1.94 0.66 0.45 0.04 0.00 0.00 177.00 176.22 2dk4 s SER 74 N -3.97 6.95 -0.33 6.66 0.15 -1.26 -4.58 113.70 117.31 2dk4 s SER 74 Ca 0.62 1.28 -0.05 0.00 0.70 0.00 0.00 55.95 58.50 2dk4 s SER 74 Cb -0.15 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.80 2dk4 s SER 74 CO 0.54 0.03 0.19 -0.24 1.20 0.00 0.00 173.24 174.96 2dk4 n SER 75 N 0.64 -7.65 0.00 5.45 2.88 -1.26 -5.24 113.62 108.44 2dk4 n SER 75 Ca -0.03 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2dk4 n SER 75 Cb 0.51 -5.11 0.00 0.00 -0.75 0.00 0.00 64.21 58.87 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42