#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 0.00 -3.65 1.61 7.64 -1.26 -5.19 113.62 112.77 2dk4 n SER 2 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2dk4 n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2dk4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk4 s SER 3 N 0.00 -0.15 0.00 6.43 0.15 -1.26 -5.18 113.70 113.69 2dk4 s SER 3 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2dk4 s SER 3 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dk4 s SER 3 CO 0.00 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2dk4 n GLY 4 N -0.40 4.70 3.61 9.45 0.00 -1.26 -5.19 105.19 116.10 2dk4 n GLY 4 Ca -0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.07 -0.22 1.61 0.15 -1.26 -5.18 113.70 108.72 2dk4 s SER 5 Ca 0.00 -0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.28 2dk4 s SER 5 Cb 0.00 0.14 0.15 0.00 -1.71 0.00 0.00 66.02 64.60 2dk4 s SER 5 CO 0.00 -0.26 1.14 -0.55 1.20 0.00 0.00 173.24 174.78 2dk4 s SER 6 N -2.72 -0.26 0.00 5.45 0.15 -1.26 -5.17 113.70 109.89 2dk4 s SER 6 Ca 0.13 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2dk4 s SER 6 Cb 0.03 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dk4 s SER 6 CO -0.04 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dk4 n GLY 7 N 0.94 3.15 2.81 9.45 0.00 -1.26 -4.94 105.19 115.35 2dk4 n GLY 7 Ca -0.08 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.60 3.34 -3.65 2.61 -2.24 -1.26 -4.97 114.28 107.52 2dk4 n THR 8 Ca 0.00 -5.45 -0.02 0.00 -2.27 0.00 0.00 64.05 56.31 2dk4 n THR 8 Cb 0.00 -1.38 -0.07 0.00 -2.10 0.00 0.00 70.33 66.78 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dk4 s SER 9 N -3.12 -0.28 -0.35 3.42 1.04 -1.26 -5.13 113.70 108.02 2dk4 s SER 9 Ca 0.48 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 57.34 2dk4 s SER 9 Cb 0.30 0.87 0.19 0.00 0.10 0.00 0.00 66.02 67.48 2dk4 s SER 9 CO -0.16 -0.08 0.93 -0.55 0.98 0.00 0.00 173.24 174.36 2dk4 s SER 10 N 0.79 -0.68 -0.29 7.02 0.15 -1.26 -5.12 113.70 114.31 2dk4 s SER 10 Ca -0.03 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.29 2dk4 s SER 10 Cb -0.04 0.87 0.20 0.00 -1.71 0.00 0.00 66.02 65.33 2dk4 s SER 10 CO -0.12 -0.07 0.70 0.20 1.20 0.00 0.00 173.24 175.14 2dk4 s ASN 11 N 1.92 -1.35 0.06 5.45 0.01 -1.26 -5.03 114.94 114.73 2dk4 s ASN 11 Ca 0.15 0.14 -0.16 0.00 -0.71 0.00 0.00 52.86 52.28 2dk4 s ASN 11 Cb 0.01 1.85 -0.21 0.00 0.41 0.00 0.00 41.25 43.31 2dk4 s ASN 11 CO -0.13 -0.25 1.20 1.55 -1.51 0.00 0.00 177.10 177.97 2dk4 h PRO 12 N 7.80 0.62 -6.92 -0.60 0.13 -2.06 -3.47 132.00 127.50 2dk4 h PRO 12 Ca -0.03 -0.60 -0.58 0.00 -0.87 0.00 0.00 66.00 63.92 2dk4 h PRO 12 Cb 1.19 0.16 -0.22 0.00 0.13 0.00 0.00 31.00 32.26 2dk4 h PRO 12 CO 0.09 1.21 -0.91 1.55 -0.23 0.00 0.00 178.00 179.71 2dk4 n VAL 13 N -4.03 -1.23 -3.16 1.56 3.14 -1.26 -4.86 118.33 108.49 2dk4 n VAL 13 Ca -0.10 -0.29 -0.23 0.00 -2.96 0.00 0.00 64.34 60.77 2dk4 n VAL 13 Cb 0.76 -1.39 -0.06 0.00 -1.06 0.00 0.00 33.84 32.09 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 -4.39 -0.13 -3.16 6.55 -0.00 -1.26 -5.02 117.00 109.59 2dk4 n LEU 14 Ca -0.14 -4.55 0.01 0.00 -0.00 0.00 0.00 56.01 51.33 2dk4 n LEU 14 Cb 0.60 0.65 -0.01 0.00 -0.00 0.00 0.00 43.42 44.66 2dk4 n LEU 14 CO 0.86 2.05 0.13 -0.70 -0.00 0.00 0.00 177.39 179.73 2dk4 s GLU 15 N -0.96 0.75 -0.30 1.96 2.12 -1.26 -5.13 118.70 115.88 2dk4 s GLU 15 Ca 0.35 -0.22 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 2dk4 s GLU 15 Cb 0.17 0.09 0.17 0.00 0.26 0.00 0.00 34.13 34.82 2dk4 s GLU 15 CO -0.13 -1.09 1.04 -1.17 -0.54 0.00 0.00 175.26 173.38 2dk4 s LEU 16 N 1.88 -0.47 -0.29 2.70 2.96 -1.26 -5.17 118.68 119.04 2dk4 s LEU 16 Ca 0.16 0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 54.49 2dk4 s LEU 16 Cb -0.03 1.56 0.15 0.00 0.50 0.00 0.00 46.19 48.37 2dk4 s LEU 16 CO -0.08 -0.10 1.17 -1.83 -1.32 0.00 0.00 176.35 174.20 2dk4 s GLU 17 N 2.12 0.32 0.31 1.98 -1.05 -1.26 -5.18 118.70 115.94 2dk4 s GLU 17 Ca -0.04 0.41 -0.12 0.00 -0.15 0.00 0.00 54.97 55.07 2dk4 s GLU 17 Cb -0.05 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2dk4 s GLU 17 CO -0.16 -0.04 0.60 -0.51 0.95 0.00 0.00 175.26 176.09 2dk4 s LEU 18 N 0.31 0.31 -0.44 1.83 1.43 -1.26 -5.11 118.68 115.76 2dk4 s LEU 18 Ca 0.03 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 2dk4 s LEU 18 Cb -0.05 2.13 0.26 0.00 0.03 0.00 0.00 46.19 48.56 2dk4 s LEU 18 CO -0.10 -1.35 0.74 0.00 0.23 0.00 0.00 176.35 175.86 2dk4 n ALA 19 N -0.48 0.54 -2.67 4.21 0.00 -1.26 -4.97 120.51 115.89 2dk4 n ALA 19 Ca -0.03 -2.42 -0.04 0.00 0.00 0.00 0.00 53.44 50.95 2dk4 n ALA 19 Cb 0.61 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 19.10 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 1.34 0.31 -1.26 0.00 2.13 -1.26 -5.00 120.64 116.89 2dk4 n GLU 20 Ca 0.15 -0.93 -0.29 0.00 0.66 0.00 0.00 57.16 56.75 2dk4 n GLU 20 Cb 0.60 -0.33 0.13 0.00 0.27 0.00 0.00 31.44 32.11 2dk4 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2dk4 n GLU 21 N 0.53 2.44 -3.09 5.31 1.02 -1.26 -4.96 120.64 120.63 2dk4 n GLU 21 Ca -0.03 -3.11 -0.39 0.00 -0.02 0.00 0.00 57.16 53.61 2dk4 n GLU 21 Cb 0.74 -2.22 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 2dk4 n GLU 21 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2dk4 s LYS 22 N -3.51 4.42 0.16 3.49 -2.85 -1.26 -5.06 119.74 115.13 2dk4 s LYS 22 Ca 0.60 0.98 -0.11 0.00 -1.00 0.00 0.00 55.97 56.44 2dk4 s LYS 22 Cb 0.49 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 2dk4 s LYS 22 CO 0.05 0.53 0.32 -0.51 0.10 0.00 0.00 175.35 175.84 2dk4 s LEU 23 N -0.87 0.84 1.10 2.77 1.43 -1.26 -5.17 118.68 117.52 2dk4 s LEU 23 Ca 0.34 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 2dk4 s LEU 23 Cb -0.21 1.37 0.26 0.00 0.03 0.00 0.00 46.19 47.64 2dk4 s LEU 23 CO 0.23 -0.90 1.23 -2.16 0.23 0.00 0.00 176.35 174.98 2dk4 s PRO 24 N -3.93 -0.47 -0.71 1.29 0.04 -1.26 -4.84 135.00 125.13 2dk4 s PRO 24 Ca 0.13 -0.32 -0.25 0.00 0.04 0.00 0.00 61.00 60.60 2dk4 s PRO 24 Cb 0.03 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.72 2dk4 s PRO 24 CO -0.03 -3.17 2.43 -1.33 0.04 0.00 0.00 177.00 174.94 2dk4 n MET 25 N -4.32 0.64 0.07 4.56 2.81 -1.26 -4.74 117.12 114.88 2dk4 n MET 25 Ca 0.15 -0.29 -0.21 0.00 -1.81 0.00 0.00 57.70 55.55 2dk4 n MET 25 Cb 0.59 -3.03 -0.12 0.00 -0.71 0.00 0.00 33.22 29.95 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 7.67 1.30 -3.07 2.03 1.35 -2.01 -3.44 112.91 116.75 2dk4 h THR 26 Ca -0.11 -2.36 -0.67 0.00 -0.55 0.00 0.00 66.41 62.72 2dk4 h THR 26 Cb 1.17 2.62 -0.12 0.00 -1.73 0.00 0.00 68.15 70.09 2dk4 h THR 26 CO 1.19 0.72 -0.57 -0.76 -0.25 0.00 0.00 175.52 175.84 2dk4 s LEU 27 N -7.99 3.88 0.49 3.87 1.43 -1.26 -5.10 118.68 113.99 2dk4 s LEU 27 Ca -0.10 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2dk4 s LEU 27 Cb 0.05 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2dk4 s LEU 27 CO 0.92 0.38 0.78 -0.94 0.23 0.00 0.00 176.35 177.72 2dk4 s SER 28 N -0.88 6.19 0.10 2.29 1.04 -1.26 -4.84 113.70 116.35 2dk4 s SER 28 Ca 0.13 0.88 -0.19 0.00 0.48 0.00 0.00 55.95 57.25 2dk4 s SER 28 Cb -0.12 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 2dk4 s SER 28 CO 0.03 -0.61 1.19 -2.11 0.98 0.00 0.00 173.24 172.71 2dk4 n ARG 29 N -2.27 -0.28 -0.02 4.02 1.85 -1.26 -0.22 116.66 118.49 2dk4 n ARG 29 Ca 0.01 1.17 -0.14 0.00 -1.00 0.00 0.00 57.85 57.88 2dk4 n ARG 29 Cb 0.55 -1.73 -0.09 0.00 -1.05 0.00 0.00 32.46 30.14 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 -0.53 -1.04 2.89 -0.00 -1.97 1.59 115.11 116.06 2dk4 h GLN 30 Ca 0.10 0.04 0.30 0.00 -0.00 0.00 0.00 58.65 59.09 2dk4 h GLN 30 Cb 0.26 0.12 -0.04 0.00 0.00 0.00 0.00 27.48 27.82 2dk4 h GLN 30 CO -0.59 -0.35 0.91 1.49 0.00 0.00 0.00 178.83 180.28 2dk4 h GLU 31 N -0.55 0.00 0.06 1.69 4.57 -1.18 1.80 114.58 120.97 2dk4 h GLU 31 Ca 0.03 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.90 2dk4 h GLU 31 Cb 0.64 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 2dk4 h GLU 31 CO -0.43 0.00 -1.77 0.28 -1.18 0.00 0.00 179.01 175.91 2dk4 h VAL 32 N 0.00 0.82 -0.26 0.32 2.07 0.32 -3.30 116.25 116.22 2dk4 h VAL 32 Ca 0.49 -2.60 -0.17 0.00 0.82 0.00 0.00 66.70 65.24 2dk4 h VAL 32 Cb 2.30 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 34.56 2dk4 h VAL 32 CO -0.01 0.68 -0.52 0.40 0.02 0.00 0.00 177.57 178.14 2dk4 h ILE 33 N 0.03 1.29 0.00 4.57 2.04 1.30 -2.38 117.51 124.36 2dk4 h ILE 33 Ca -0.32 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2dk4 h ILE 33 Cb 2.02 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2dk4 h ILE 33 CO 0.09 0.55 0.00 -1.14 0.00 0.00 0.00 178.15 177.66 2dk4 n ARG 34 N -4.00 0.00 -0.03 2.37 0.63 0.49 -0.03 116.66 116.10 2dk4 n ARG 34 Ca -0.04 0.60 -0.10 0.00 -0.92 0.00 0.00 57.85 57.40 2dk4 n ARG 34 Cb 0.60 -1.47 -0.06 0.00 0.45 0.00 0.00 32.46 31.98 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 -0.34 -0.98 -0.14 3.08 -1.66 -0.11 114.38 114.23 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 0.08 -0.14 0.00 0.08 0.00 0.00 29.97 29.99 2dk4 h ARG 35 CO 0.00 -0.22 -0.49 1.28 -1.07 0.00 0.00 179.97 179.47 2dk4 n LEU 36 N -4.43 -0.85 -0.08 3.04 4.77 -0.90 0.99 117.00 119.55 2dk4 n LEU 36 Ca -0.04 1.73 -0.14 0.00 -0.03 0.00 0.00 56.01 57.54 2dk4 n LEU 36 Cb 0.24 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2dk4 n LEU 36 CO 0.04 -1.48 0.52 0.03 -1.33 0.00 0.00 177.39 175.17 2dk4 h ARG 37 N 0.00 -0.46 -0.65 3.23 3.08 0.53 0.68 114.38 120.78 2dk4 h ARG 37 Ca 0.25 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.44 2dk4 h ARG 37 Cb 0.49 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 2dk4 h ARG 37 CO -0.95 -0.30 0.44 0.93 -1.07 0.00 0.00 179.97 179.02 2dk4 h GLU 38 N -0.47 0.40 0.00 0.04 4.39 0.12 0.74 114.58 119.80 2dk4 h GLU 38 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2dk4 h GLU 38 Cb 0.63 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2dk4 h GLU 38 CO -0.52 0.26 0.00 0.54 -1.16 0.00 0.00 179.01 178.14 2dk4 n ARG 39 N -4.47 0.08 -0.79 2.33 5.12 0.28 -4.87 116.66 114.33 2dk4 n ARG 39 Ca 0.11 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2dk4 n ARG 39 Cb 0.43 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.05 0.79 3.83 -0.13 0.00 0.26 -5.03 105.19 105.95 2dk4 n GLY 40 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.21 3.41 -0.15 1.61 0.41 0.69 -4.94 118.70 119.52 2dk4 s GLU 41 Ca 0.00 1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 55.29 2dk4 s GLU 41 Cb 0.00 -2.05 -0.02 0.00 -1.78 0.00 0.00 34.13 30.28 2dk4 s GLU 41 CO 0.00 -0.72 1.27 -1.25 -0.49 0.00 0.00 175.26 174.06 2dk4 s PRO 42 N -4.47 4.25 0.31 0.39 0.04 -1.26 -3.94 135.00 130.31 2dk4 s PRO 42 Ca 0.60 1.68 0.06 0.00 0.04 0.00 0.00 61.00 63.38 2dk4 s PRO 42 Cb -0.13 -3.74 0.75 0.00 0.04 0.00 0.00 34.50 31.42 2dk4 s PRO 42 CO 0.43 -0.67 1.79 -0.84 0.04 0.00 0.00 177.00 177.74 2dk4 h ILE 43 N 5.42 0.72 -3.47 0.56 3.07 -1.92 -3.39 117.51 118.51 2dk4 h ILE 43 Ca -0.28 -0.26 -0.39 0.00 1.55 0.00 0.00 64.86 65.48 2dk4 h ILE 43 Cb 1.11 -0.10 -0.34 0.00 -0.27 0.00 0.00 36.82 37.22 2dk4 h ILE 43 CO 0.96 0.14 -0.77 -0.60 -1.05 0.00 0.00 178.15 176.83 2dk4 s ARG 44 N -5.83 0.71 0.43 0.16 6.06 -1.26 -4.84 118.95 114.38 2dk4 s ARG 44 Ca -0.11 -0.06 0.06 0.00 -2.50 0.00 0.00 55.73 53.12 2dk4 s ARG 44 Cb 0.25 -0.75 0.01 0.00 0.06 0.00 0.00 34.95 34.52 2dk4 s ARG 44 CO 0.80 -0.09 0.59 -0.51 -2.50 0.00 0.00 175.30 173.59 2dk4 s LEU 45 N 0.92 3.64 -0.42 -0.88 1.43 -1.26 -5.00 118.68 117.11 2dk4 s LEU 45 Ca -0.11 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 2dk4 s LEU 45 Cb -0.14 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2dk4 s LEU 45 CO -0.00 -0.78 2.07 -0.36 0.23 0.00 0.00 176.35 177.51 2dk4 s PHE 46 N -2.40 1.44 0.00 0.29 0.08 -1.26 -1.80 117.98 114.33 2dk4 s PHE 46 Ca 0.54 0.91 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2dk4 s PHE 46 Cb -0.10 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.42 2dk4 s PHE 46 CO 0.34 -2.90 0.00 0.41 -0.10 0.00 0.00 175.22 172.97 2dk4 n GLY 47 N 5.72 3.01 3.44 4.36 0.00 -1.26 -4.98 105.19 115.48 2dk4 n GLY 47 Ca 0.27 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.73 2dk4 n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dk4 n GLU 48 N -0.98 0.63 -1.62 1.61 4.71 -0.74 -4.89 120.64 119.36 2dk4 n GLU 48 Ca 0.00 0.19 -0.31 0.00 -0.01 0.00 0.00 57.16 57.03 2dk4 n GLU 48 Cb 0.00 -1.99 0.05 0.00 -1.01 0.00 0.00 31.44 28.48 2dk4 n GLU 48 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 2dk4 s THR 49 N 5.93 4.04 0.19 2.62 -1.32 -1.26 -4.53 115.64 121.31 2dk4 s THR 49 Ca 1.11 0.66 -0.23 0.00 -1.21 0.00 0.00 61.69 62.02 2dk4 s THR 49 Cb -1.17 -3.44 0.11 0.00 -1.51 0.00 0.00 72.50 66.49 2dk4 s THR 49 CO 0.60 -0.86 1.56 -0.78 -2.21 0.00 0.00 174.62 172.92 2dk4 h ASP 50 N -0.69 -1.57 -0.78 8.08 1.82 -2.00 1.19 116.42 122.47 2dk4 h ASP 50 Ca -0.44 0.29 0.09 0.00 -0.39 0.00 0.00 57.03 56.58 2dk4 h ASP 50 Cb 1.21 0.76 -0.05 0.00 0.68 0.00 0.00 39.33 41.93 2dk4 h ASP 50 CO 0.58 -0.29 0.51 0.22 -1.61 0.00 0.00 179.24 178.65 2dk4 h TYR 51 N -0.09 0.77 0.75 0.28 5.03 -2.00 -2.26 116.97 119.45 2dk4 h TYR 51 Ca 0.25 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 2dk4 h TYR 51 Cb 0.55 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 2dk4 h TYR 51 CO -0.83 0.36 -0.46 0.22 -1.32 0.00 0.00 178.16 176.13 2dk4 h ASP 52 N 0.72 -1.15 -0.73 -2.11 1.82 0.10 0.82 116.42 115.88 2dk4 h ASP 52 Ca 0.36 0.06 0.15 0.00 -0.39 0.00 0.00 57.03 57.21 2dk4 h ASP 52 Cb 0.43 0.33 -0.14 0.00 0.68 0.00 0.00 39.33 40.64 2dk4 h ASP 52 CO -0.13 -0.71 -0.17 0.00 -1.61 0.00 0.00 179.24 176.61 2dk4 h ALA 53 N -1.00 0.50 0.42 -0.78 0.00 -0.51 1.04 119.26 118.94 2dk4 h ALA 53 Ca -0.10 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dk4 h ALA 53 Cb 0.91 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2dk4 h ALA 53 CO 0.10 -0.41 -0.40 0.35 0.00 0.00 0.00 179.25 178.89 2dk4 h PHE 54 N 0.01 -1.10 -0.67 0.00 3.57 -1.03 -0.66 116.94 117.06 2dk4 h PHE 54 Ca 0.36 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.97 2dk4 h PHE 54 Cb 0.55 0.42 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 2dk4 h PHE 54 CO -0.58 -0.54 0.26 1.96 -2.23 0.00 0.00 178.31 177.18 2dk4 h GLN 55 N -0.81 0.42 -0.11 1.11 1.08 0.29 0.55 115.11 117.64 2dk4 h GLN 55 Ca -0.05 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2dk4 h GLN 55 Cb 0.70 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 2dk4 h GLN 55 CO -0.04 0.28 -0.48 -0.09 -0.95 0.00 0.00 178.83 177.55 2dk4 h ARG 56 N 0.43 -0.54 0.09 1.46 2.43 0.14 0.79 114.38 119.18 2dk4 h ARG 56 Ca 0.35 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 2dk4 h ARG 56 Cb 0.46 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2dk4 h ARG 56 CO -0.34 -0.36 -0.04 1.25 -1.51 0.00 0.00 179.97 178.97 2dk4 h LEU 57 N -0.56 -0.10 -1.43 3.80 7.12 -0.44 0.08 115.31 123.78 2dk4 h LEU 57 Ca 0.05 -0.11 0.21 0.00 0.13 0.00 0.00 57.88 58.16 2dk4 h LEU 57 Cb 0.67 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.79 2dk4 h LEU 57 CO -0.40 0.05 0.87 -0.09 -0.13 0.00 0.00 178.44 178.73 2dk4 h ARG 58 N -0.24 0.00 0.06 1.25 1.12 0.65 1.63 114.38 118.86 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 0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.12 2dk4 h ARG 58 CO 0.02 0.00 -1.98 1.17 -3.11 0.00 0.00 179.97 176.07 2dk4 n LYS 59 N -3.39 0.70 -0.12 0.20 4.81 0.22 -3.88 118.16 116.70 2dk4 n LYS 59 Ca 0.15 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.75 2dk4 n LYS 59 Cb 1.11 -1.70 -0.01 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 1.13 -1.00 3.15 2.04 0.41 -2.04 117.51 121.24 2dk4 h ILE 60 Ca -0.40 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.27 2dk4 h ILE 60 Cb 2.03 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 38.70 2dk4 h ILE 60 CO 0.06 0.13 0.62 -0.33 0.00 0.00 0.00 178.15 178.64 2dk4 h GLU 61 N 0.48 0.92 0.80 2.37 4.39 -0.62 -2.19 114.58 120.73 2dk4 h GLU 61 Ca 0.13 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2dk4 h GLU 61 Cb 0.03 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2dk4 h GLU 61 CO -0.02 0.61 -0.44 0.82 -1.16 0.00 0.00 179.01 178.81 2dk4 h ILE 62 N 0.95 0.00 0.00 3.13 2.04 -1.50 -3.31 117.51 118.81 2dk4 h ILE 62 Ca 0.51 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.37 2dk4 h ILE 62 Cb 0.56 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2dk4 h ILE 62 CO -0.29 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.04 2dk4 n LEU 63 N -5.27 0.00 -4.07 1.44 4.77 -0.86 -4.14 117.00 108.86 2dk4 n LEU 63 Ca -0.14 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.87 2dk4 n LEU 63 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2dk4 n LEU 63 CO 0.33 0.00 2.00 1.07 -1.33 0.00 0.00 177.39 179.47 2dk4 n THR 64 N -0.72 0.00 0.08 -5.08 5.66 -0.95 -4.72 114.28 108.56 2dk4 n THR 64 Ca 0.00 -0.06 -0.08 0.00 -3.05 0.00 0.00 64.05 60.86 2dk4 n THR 64 Cb 0.00 -0.39 0.03 0.00 -1.55 0.00 0.00 70.33 68.41 2dk4 n THR 64 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2dk4 h PRO 65 N 10.74 0.20 -6.06 1.09 0.13 -1.83 -3.40 132.00 132.87 2dk4 h PRO 65 Ca -0.03 -0.20 -0.50 0.00 -0.87 0.00 0.00 66.00 64.40 2dk4 h PRO 65 Cb 1.16 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2dk4 h PRO 65 CO 1.29 0.90 1.20 -2.00 -0.23 0.00 0.00 178.00 179.16 2dk4 s GLU 66 N -3.35 3.14 0.00 0.86 2.12 -1.26 -4.48 118.70 115.72 2dk4 s GLU 66 Ca -0.03 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2dk4 s GLU 66 Cb 0.11 -4.90 0.00 0.00 0.26 0.00 0.00 34.13 29.59 2dk4 s GLU 66 CO 0.82 -2.54 0.00 0.28 -0.54 0.00 0.00 175.26 173.28 2dk4 n VAL 67 N 7.05 0.00 0.00 3.70 0.31 -1.26 -5.08 118.33 123.05 2dk4 n VAL 67 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 2dk4 n VAL 67 Cb 0.50 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 2dk4 n VAL 67 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2dk4 n ASN 68 N -2.51 0.00 0.00 4.52 2.85 -1.26 -5.01 115.26 113.84 2dk4 n ASN 68 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2dk4 n ASN 68 Cb 0.00 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.09 2dk4 n ASN 68 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2dk4 n LYS 69 N -1.33 0.00 -3.05 1.20 2.85 -1.26 -5.10 118.16 111.47 2dk4 n LYS 69 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2dk4 n LYS 69 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2dk4 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dk4 n GLY 70 N -0.83 -1.06 3.15 2.58 0.00 -1.26 -5.02 105.19 102.76 2dk4 n GLY 70 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.83 -1.39 -0.82 1.61 1.04 -1.26 -5.09 113.70 106.96 2dk4 s SER 71 Ca -0.02 0.84 -0.33 0.00 0.48 0.00 0.00 55.95 56.92 2dk4 s SER 71 Cb 0.00 2.16 -0.19 0.00 0.10 0.00 0.00 66.02 68.09 2dk4 s SER 71 CO 0.18 -0.26 2.55 0.61 0.98 0.00 0.00 173.24 177.29 2dk4 n GLY 72 N 5.43 -0.29 2.53 7.32 0.00 -1.26 -4.73 105.19 114.19 2dk4 n GLY 72 Ca -0.01 1.07 -0.31 0.00 0.00 0.00 0.00 46.02 46.78 2dk4 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk4 n PRO 73 N 8.39 2.72 -2.38 1.61 -0.04 -1.26 -4.89 135.00 139.15 2dk4 n PRO 73 Ca 0.59 -1.83 -0.25 0.00 -0.04 0.00 0.00 63.50 61.97 2dk4 n PRO 73 Cb 0.10 -2.66 0.05 0.00 -0.04 0.00 0.00 33.50 30.95 2dk4 n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk4 s SER 74 N 3.02 5.26 0.57 3.54 0.15 -1.26 -4.93 113.70 120.05 2dk4 s SER 74 Ca 0.53 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2dk4 s SER 74 Cb 0.14 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2dk4 s SER 74 CO -0.04 -1.26 0.00 -1.20 1.20 0.00 0.00 173.24 171.94 2dk4 n SER 75 N -2.66 -8.28 -0.17 5.45 7.64 -1.26 -5.27 113.62 109.06 2dk4 n SER 75 Ca 0.06 1.80 0.02 0.00 1.01 0.00 0.00 58.87 61.76 2dk4 n SER 75 Cb 0.59 -4.93 0.02 0.00 -1.01 0.00 0.00 64.21 58.88 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64