#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 -3.60 1.61 3.41 -1.26 -5.19 113.62 108.59 2dk4 n SER 2 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2dk4 n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2dk4 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dk4 s SER 3 N 0.00 -0.05 0.26 4.04 1.04 -1.26 -5.19 113.70 112.54 2dk4 s SER 3 Ca 0.00 -0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 2dk4 s SER 3 Cb 0.00 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.28 2dk4 s SER 3 CO 0.00 -0.19 0.73 0.61 0.98 0.00 0.00 173.24 175.37 2dk4 n GLY 4 N -0.42 0.99 3.63 7.32 0.00 -1.26 -5.19 105.19 110.26 2dk4 n GLY 4 Ca -0.07 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 2dk4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk4 s SER 5 N -2.82 -0.01 0.17 1.61 0.01 -1.26 -5.19 113.70 106.20 2dk4 s SER 5 Ca 0.15 -0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.17 2dk4 s SER 5 Cb -0.03 0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.27 2dk4 s SER 5 CO 0.08 -0.03 0.77 -0.55 0.41 0.00 0.00 173.24 173.92 2dk4 s SER 6 N -2.23 -0.34 0.00 2.44 0.15 -1.26 -5.17 113.70 107.30 2dk4 s SER 6 Ca 0.12 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dk4 s SER 6 Cb 0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2dk4 s SER 6 CO -0.03 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.00 2dk4 n GLY 7 N -0.41 1.81 3.14 9.45 0.00 -1.26 -5.18 105.19 112.74 2dk4 n GLY 7 Ca -0.09 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2dk4 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dk4 s THR 8 N 0.00 1.00 0.00 2.61 -4.23 -1.26 -5.11 115.64 108.64 2dk4 s THR 8 Ca 0.00 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2dk4 s THR 8 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2dk4 s THR 8 CO 0.00 -0.15 0.00 -1.54 -0.54 0.00 0.00 174.62 172.39 2dk4 n SER 9 N 1.61 0.00 -3.64 3.99 3.41 -1.26 -5.17 113.62 112.56 2dk4 n SER 9 Ca -0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.35 2dk4 n SER 9 Cb 0.55 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 2dk4 n SER 9 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dk4 s SER 10 N 0.00 -0.60 -0.27 4.04 0.15 -1.26 -5.14 113.70 110.62 2dk4 s SER 10 Ca 0.00 1.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.61 2dk4 s SER 10 Cb 0.00 1.18 0.01 0.00 -1.71 0.00 0.00 66.02 65.50 2dk4 s SER 10 CO 0.00 -0.16 0.02 0.20 1.20 0.00 0.00 173.24 174.49 2dk4 s ASN 11 N 1.06 4.76 -1.00 5.45 0.01 -1.26 -4.99 114.94 118.96 2dk4 s ASN 11 Ca -0.06 -0.68 -0.07 0.00 -0.71 0.00 0.00 52.86 51.34 2dk4 s ASN 11 Cb -0.04 -1.80 -0.09 0.00 0.41 0.00 0.00 41.25 39.73 2dk4 s ASN 11 CO -0.13 -0.14 2.54 -0.81 -1.51 0.00 0.00 177.10 177.06 2dk4 n PRO 12 N 4.80 2.55 -3.31 -0.60 -0.04 -1.26 -4.59 135.00 132.55 2dk4 n PRO 12 Ca -0.16 -1.59 0.03 0.00 -0.04 0.00 0.00 63.50 61.74 2dk4 n PRO 12 Cb 0.48 -2.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 2dk4 n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dk4 s VAL 13 N 2.63 -0.36 -0.33 0.52 0.11 -1.26 -5.13 120.40 116.58 2dk4 s VAL 13 Ca 0.52 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2dk4 s VAL 13 Cb 0.15 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.16 2dk4 s VAL 13 CO -0.04 0.00 0.42 -0.22 -3.33 0.00 0.00 175.10 171.93 2dk4 s LEU 14 N 2.40 -0.60 -0.30 2.54 1.98 -1.26 -5.08 118.68 118.36 2dk4 s LEU 14 Ca -0.01 -0.84 -0.14 0.00 -2.89 0.00 0.00 54.13 50.25 2dk4 s LEU 14 Cb -0.05 0.99 0.18 0.00 0.66 0.00 0.00 46.19 47.97 2dk4 s LEU 14 CO -0.16 -0.30 1.13 -0.70 -1.89 0.00 0.00 176.35 174.42 2dk4 s GLU 15 N 2.09 0.06 -0.04 1.98 2.12 -1.26 -5.00 118.70 118.65 2dk4 s GLU 15 Ca 0.13 0.02 0.17 0.00 0.36 0.00 0.00 54.97 55.65 2dk4 s GLU 15 Cb -0.12 0.02 0.56 0.00 0.26 0.00 0.00 34.13 34.85 2dk4 s GLU 15 CO -0.19 -0.11 1.46 1.28 -0.54 0.00 0.00 175.26 177.16 2dk4 n LEU 16 N 4.50 3.59 -1.45 2.70 4.77 -1.26 -5.04 117.00 124.80 2dk4 n LEU 16 Ca 0.08 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 2dk4 n LEU 16 Cb 0.61 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2dk4 n LEU 16 CO -0.17 0.75 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.59 2dk4 n GLU 17 N 1.10 -3.87 -0.80 3.23 -0.58 -1.26 -4.86 120.64 113.61 2dk4 n GLU 17 Ca 0.21 2.98 -0.33 0.00 -0.42 0.00 0.00 57.16 59.59 2dk4 n GLU 17 Cb 0.62 -3.66 0.12 0.00 -0.57 0.00 0.00 31.44 27.95 2dk4 n GLU 17 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dk4 n LEU 18 N -2.25 -1.52 -3.15 -4.62 7.99 -1.26 -5.02 117.00 107.17 2dk4 n LEU 18 Ca 0.00 0.19 0.05 0.00 -0.01 0.00 0.00 56.01 56.24 2dk4 n LEU 18 Cb 0.37 -1.07 -0.01 0.00 -0.11 0.00 0.00 43.42 42.60 2dk4 n LEU 18 CO 0.00 -3.74 0.56 0.00 -1.51 0.00 0.00 177.39 172.69 2dk4 s ALA 19 N -2.30 -3.53 0.38 -1.18 0.00 -1.26 -5.18 121.76 108.69 2dk4 s ALA 19 Ca 0.54 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.94 2dk4 s ALA 19 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2dk4 s ALA 19 CO 0.69 -1.60 0.09 -1.83 0.00 0.00 0.00 175.76 173.11 2dk4 s GLU 20 N 2.95 1.82 -1.20 0.00 -1.05 -1.26 -4.78 118.70 115.18 2dk4 s GLU 20 Ca 0.06 -2.07 -0.15 0.00 -0.15 0.00 0.00 54.97 52.65 2dk4 s GLU 20 Cb -0.08 -0.77 0.15 0.00 -0.44 0.00 0.00 34.13 32.99 2dk4 s GLU 20 CO -0.14 -0.35 0.38 0.39 0.95 0.00 0.00 175.26 176.49 2dk4 n GLU 21 N -0.83 -1.46 -4.59 -4.83 1.02 -1.26 -4.86 120.64 103.83 2dk4 n GLU 21 Ca -0.05 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 2dk4 n GLU 21 Cb 0.66 -4.45 -0.09 0.00 -0.02 0.00 0.00 31.44 27.54 2dk4 n GLU 21 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dk4 s LYS 22 N -6.25 1.97 0.51 3.49 2.20 -1.26 -5.09 119.74 115.31 2dk4 s LYS 22 Ca 0.53 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.95 2dk4 s LYS 22 Cb -0.31 -1.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.97 2dk4 s LYS 22 CO 0.66 -0.35 0.00 1.28 -0.36 0.00 0.00 175.35 176.57 2dk4 n LEU 23 N -0.99 -0.86 0.00 5.43 4.32 -1.26 -4.93 117.00 118.71 2dk4 n LEU 23 Ca -0.09 2.01 -0.17 0.00 -0.02 0.00 0.00 56.01 57.73 2dk4 n LEU 23 Cb 0.66 -3.13 0.13 0.00 -1.62 0.00 0.00 43.42 39.46 2dk4 n LEU 23 CO 0.39 -2.12 0.44 -0.81 -1.22 0.00 0.00 177.39 174.06 2dk4 n PRO 24 N -4.06 -1.48 -1.56 3.23 -0.04 -1.26 -4.87 135.00 124.96 2dk4 n PRO 24 Ca -0.07 -1.11 -0.39 0.00 -0.04 0.00 0.00 63.50 61.89 2dk4 n PRO 24 Cb 0.60 -0.87 -0.04 0.00 -0.04 0.00 0.00 33.50 33.15 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 -3.03 1.27 -0.05 0.54 2.81 -1.26 -4.80 117.12 112.59 2dk4 n MET 25 Ca 0.09 0.17 -0.15 0.00 -1.81 0.00 0.00 57.70 56.00 2dk4 n MET 25 Cb 0.34 -3.24 -0.13 0.00 -0.71 0.00 0.00 33.22 29.48 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 7.52 1.74 -3.38 2.03 1.35 -1.93 -3.44 112.91 116.80 2dk4 h THR 26 Ca -0.28 -2.38 -0.59 0.00 -0.55 0.00 0.00 66.41 62.61 2dk4 h THR 26 Cb 1.27 3.36 -0.09 0.00 -1.73 0.00 0.00 68.15 70.95 2dk4 h THR 26 CO 1.10 0.62 -0.17 -0.76 -0.25 0.00 0.00 175.52 176.07 2dk4 s LEU 27 N -8.16 4.22 0.84 3.87 1.43 -1.26 -5.06 118.68 114.56 2dk4 s LEU 27 Ca -0.18 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 2dk4 s LEU 27 Cb -0.02 -2.60 0.10 0.00 0.03 0.00 0.00 46.19 43.69 2dk4 s LEU 27 CO 0.71 -0.03 1.11 -0.44 0.23 0.00 0.00 176.35 177.93 2dk4 s SER 28 N 0.78 3.79 0.11 2.29 0.01 -1.26 -4.62 113.70 114.81 2dk4 s SER 28 Ca 0.23 1.96 -0.22 0.00 1.31 0.00 0.00 55.95 59.22 2dk4 s SER 28 Cb -0.15 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2dk4 s SER 28 CO 0.09 -2.51 1.35 -1.14 0.41 0.00 0.00 173.24 171.43 2dk4 n ARG 29 N -3.84 -0.31 -0.33 12.44 0.63 -1.26 0.86 116.66 124.85 2dk4 n ARG 29 Ca 0.10 1.33 0.05 0.00 -0.92 0.00 0.00 57.85 58.40 2dk4 n ARG 29 Cb 0.53 -1.96 0.20 0.00 0.45 0.00 0.00 32.46 31.68 2dk4 n ARG 29 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 2dk4 h GLN 30 N 0.00 0.88 -0.02 -0.14 3.07 -1.98 0.48 115.11 117.39 2dk4 h GLN 30 Ca 0.11 -0.05 0.01 0.00 0.09 0.00 0.00 58.65 58.81 2dk4 h GLN 30 Cb 0.29 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.65 2dk4 h GLN 30 CO -0.66 0.58 0.04 1.49 0.09 0.00 0.00 178.83 180.37 2dk4 h GLU 31 N 0.90 0.00 0.03 0.06 4.57 0.15 0.70 114.58 120.99 2dk4 h GLU 31 Ca 0.45 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.29 2dk4 h GLU 31 Cb 0.41 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 2dk4 h GLU 31 CO -0.25 0.00 -2.02 0.28 -1.18 0.00 0.00 179.01 175.84 2dk4 n VAL 32 N -3.58 1.58 -0.12 0.32 0.31 0.12 -4.01 118.33 112.96 2dk4 n VAL 32 Ca -0.02 -0.75 -0.13 0.00 -0.01 0.00 0.00 64.34 63.43 2dk4 n VAL 32 Cb 0.12 -1.11 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 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 1.27 0.00 2.52 2.04 0.13 -2.69 117.51 120.79 2dk4 h ILE 33 Ca -0.41 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2dk4 h ILE 33 Cb 2.06 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2dk4 h ILE 33 CO 0.05 0.52 0.00 0.54 0.00 0.00 0.00 178.15 179.26 2dk4 n ARG 34 N -4.06 0.00 -0.10 2.37 1.74 0.23 0.30 116.66 117.14 2dk4 n ARG 34 Ca -0.02 0.54 -0.06 0.00 -0.77 0.00 0.00 57.85 57.54 2dk4 n ARG 34 Cb 0.53 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dk4 h ARG 35 N 0.00 -0.12 -0.97 5.56 3.08 -1.70 0.40 114.38 120.64 2dk4 h ARG 35 Ca 0.00 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.25 2dk4 h ARG 35 Cb 0.00 0.03 -0.18 0.00 0.08 0.00 0.00 29.97 29.90 2dk4 h ARG 35 CO 0.00 -0.08 -0.26 1.28 -1.07 0.00 0.00 179.97 179.84 2dk4 n LEU 36 N -3.89 -0.39 0.40 3.04 4.77 -1.01 0.15 117.00 120.07 2dk4 n LEU 36 Ca -0.01 1.67 -0.19 0.00 -0.03 0.00 0.00 56.01 57.45 2dk4 n LEU 36 Cb 0.14 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2dk4 n LEU 36 CO -0.02 -1.58 0.53 0.03 -1.33 0.00 0.00 177.39 175.02 2dk4 h ARG 37 N 0.00 -1.11 -1.00 3.23 3.08 0.24 0.90 114.38 119.73 2dk4 h ARG 37 Ca 0.45 0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.74 2dk4 h ARG 37 Cb 0.69 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 30.89 2dk4 h ARG 37 CO -0.99 -0.74 0.62 0.93 -1.07 0.00 0.00 179.97 178.72 2dk4 h GLU 38 N -1.15 0.79 0.00 0.04 5.08 0.30 0.72 114.58 120.37 2dk4 h GLU 38 Ca -0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2dk4 h GLU 38 Cb 0.93 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2dk4 h GLU 38 CO 0.07 0.53 -0.18 0.00 -1.00 0.00 0.00 179.01 178.43 2dk4 h ARG 39 N 0.82 0.00 0.00 2.33 3.08 0.20 -3.46 114.38 117.34 2dk4 h ARG 39 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2dk4 h ARG 39 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2dk4 h ARG 39 CO -0.34 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.15 2dk4 n GLY 40 N -0.02 0.67 3.83 0.04 0.00 0.25 -5.05 105.19 104.90 2dk4 n GLY 40 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.81 3.31 -0.22 1.61 0.41 0.27 -4.94 118.70 118.33 2dk4 s GLU 41 Ca 0.00 0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 55.24 2dk4 s GLU 41 Cb 0.00 -2.04 -0.01 0.00 -1.78 0.00 0.00 34.13 30.30 2dk4 s GLU 41 CO 0.00 -0.80 1.30 -1.25 -0.49 0.00 0.00 175.26 174.02 2dk4 s PRO 42 N -4.71 4.09 0.31 0.39 0.04 -1.26 -3.99 135.00 129.87 2dk4 s PRO 42 Ca 0.59 1.51 0.09 0.00 0.04 0.00 0.00 61.00 63.23 2dk4 s PRO 42 Cb -0.13 -3.83 0.88 0.00 0.04 0.00 0.00 34.50 31.46 2dk4 s PRO 42 CO 0.47 -0.90 1.70 -0.84 0.04 0.00 0.00 177.00 177.48 2dk4 h ILE 43 N 5.71 0.47 -3.25 0.56 3.07 -1.90 -3.35 117.51 118.82 2dk4 h ILE 43 Ca -0.27 -0.16 -0.46 0.00 1.55 0.00 0.00 64.86 65.52 2dk4 h ILE 43 Cb 1.10 -0.05 -0.39 0.00 -0.27 0.00 0.00 36.82 37.22 2dk4 h ILE 43 CO 1.00 0.09 -0.76 -0.60 -1.05 0.00 0.00 178.15 176.82 2dk4 s ARG 44 N -5.79 0.57 0.39 0.16 6.06 -1.26 -4.74 118.95 114.34 2dk4 s ARG 44 Ca -0.11 -0.06 -0.22 0.00 -2.50 0.00 0.00 55.73 52.84 2dk4 s ARG 44 Cb 0.27 -1.38 -0.11 0.00 0.06 0.00 0.00 34.95 33.80 2dk4 s ARG 44 CO 0.79 -0.43 0.94 -0.51 -2.50 0.00 0.00 175.30 173.58 2dk4 s LEU 45 N 1.95 4.06 -0.34 -0.88 1.02 -1.26 -4.92 118.68 118.32 2dk4 s LEU 45 Ca 0.03 1.71 -0.38 0.00 0.02 0.00 0.00 54.13 55.51 2dk4 s LEU 45 Cb -0.14 -4.36 -0.14 0.00 0.02 0.00 0.00 46.19 41.57 2dk4 s LEU 45 CO -0.06 -0.26 2.03 0.49 0.02 0.00 0.00 176.35 178.56 2dk4 n PHE 46 N -0.27 1.72 0.00 0.29 3.72 -1.26 -0.09 117.46 121.57 2dk4 n PHE 46 Ca 0.05 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 2dk4 n PHE 46 Cb 0.53 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dk4 n GLY 47 N 5.84 1.91 3.22 1.37 0.00 -1.26 -4.99 105.19 111.29 2dk4 n GLY 47 Ca 0.38 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.00 -3.50 1.61 4.71 0.88 -4.92 120.64 119.41 2dk4 n GLU 48 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.87 2dk4 n GLU 48 Cb 0.00 -0.95 -0.03 0.00 -1.01 0.00 0.00 31.44 29.44 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 -0.93 5.11 0.28 2.62 -1.32 -1.26 -4.64 115.64 115.49 2dk4 s THR 49 Ca 0.61 -0.15 -0.07 0.00 -1.21 0.00 0.00 61.69 60.87 2dk4 s THR 49 Cb -0.89 -3.74 0.42 0.00 -1.51 0.00 0.00 72.50 66.78 2dk4 s THR 49 CO 0.53 -0.27 1.57 -2.24 -2.21 0.00 0.00 174.62 172.01 2dk4 h ASP 50 N 1.78 -0.78 -0.93 8.08 2.03 -1.97 1.49 116.42 126.12 2dk4 h ASP 50 Ca -0.48 0.28 0.08 0.00 -0.73 0.00 0.00 57.03 56.18 2dk4 h ASP 50 Cb 1.19 0.56 -0.07 0.00 -0.83 0.00 0.00 39.33 40.18 2dk4 h ASP 50 CO 0.67 -0.31 0.58 0.22 -1.03 0.00 0.00 179.24 179.37 2dk4 h TYR 51 N 0.01 1.08 -0.32 4.15 5.03 -2.00 -1.40 116.97 123.52 2dk4 h TYR 51 Ca 0.48 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.82 2dk4 h TYR 51 Cb 0.79 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 2dk4 h TYR 51 CO -0.67 0.52 0.20 0.22 -1.32 0.00 0.00 178.16 177.10 2dk4 h ASP 52 N 1.03 0.37 -0.99 -2.11 1.82 0.16 0.15 116.42 116.85 2dk4 h ASP 52 Ca 0.42 -0.03 0.14 0.00 -0.39 0.00 0.00 57.03 57.18 2dk4 h ASP 52 Cb 0.25 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 40.08 2dk4 h ASP 52 CO -0.20 0.29 0.61 0.00 -1.61 0.00 0.00 179.24 178.32 2dk4 h ALA 53 N 1.10 1.54 0.56 -0.78 0.00 -0.01 0.70 119.26 122.36 2dk4 h ALA 53 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dk4 h ALA 53 Cb -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2dk4 h ALA 53 CO -0.02 0.11 -0.27 0.35 0.00 0.00 0.00 179.25 179.42 2dk4 h PHE 54 N 0.89 -0.70 -0.67 0.00 3.57 -0.57 -2.34 116.94 117.11 2dk4 h PHE 54 Ca 0.52 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.13 2dk4 h PHE 54 Cb 0.63 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 39.51 2dk4 h PHE 54 CO -0.01 -0.43 0.19 1.96 -2.23 0.00 0.00 178.31 177.79 2dk4 h GLN 55 N -1.20 0.31 0.19 1.11 1.08 -0.35 0.70 115.11 116.96 2dk4 h GLN 55 Ca -0.08 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2dk4 h GLN 55 Cb 0.58 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 2dk4 h GLN 55 CO 0.13 0.21 -0.47 -0.09 -0.95 0.00 0.00 178.83 177.66 2dk4 h ARG 56 N 0.32 -0.72 -0.01 1.46 2.43 0.36 -0.08 114.38 118.13 2dk4 h ARG 56 Ca 0.36 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 2dk4 h ARG 56 Cb 0.56 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2dk4 h ARG 56 CO -0.42 -0.48 -0.01 1.25 -1.51 0.00 0.00 179.97 178.79 2dk4 h LEU 57 N -0.75 -0.04 -1.55 3.80 7.12 -0.77 0.66 115.31 123.78 2dk4 h LEU 57 Ca -0.00 0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.14 2dk4 h LEU 57 Cb 0.74 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 2dk4 h LEU 57 CO -0.22 -0.02 0.66 0.03 -0.13 0.00 0.00 178.44 178.76 2dk4 h ARG 58 N -0.02 0.00 0.00 1.25 2.47 0.82 1.73 114.38 120.63 2dk4 h ARG 58 Ca 0.01 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.43 2dk4 h ARG 58 Cb 0.04 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.30 2dk4 h ARG 58 CO -0.03 0.00 -1.87 1.17 0.56 0.00 0.00 179.97 179.81 2dk4 n LYS 59 N -3.28 0.65 -0.04 0.04 4.81 -0.08 -4.10 118.16 116.15 2dk4 n LYS 59 Ca 0.08 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.60 2dk4 n LYS 59 Cb 0.82 -1.72 -0.07 0.00 0.02 0.00 0.00 35.03 34.08 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 0.00 1.33 -0.77 3.15 2.04 0.45 -2.73 117.51 120.98 2dk4 h ILE 60 Ca -0.34 -1.16 0.22 0.00 1.00 0.00 0.00 64.86 64.58 2dk4 h ILE 60 Cb 2.03 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.93 2dk4 h ILE 60 CO 0.06 0.33 0.65 -0.33 0.00 0.00 0.00 178.15 178.87 2dk4 h GLU 61 N -0.11 0.00 0.16 2.37 4.39 -0.53 0.19 114.58 121.06 2dk4 h GLU 61 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2dk4 h GLU 61 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2dk4 h GLU 61 CO 0.02 0.00 -0.08 0.82 -1.16 0.00 0.00 179.01 178.61 2dk4 h ILE 62 N 0.00 0.87 0.00 3.13 1.08 -1.63 -3.31 117.51 117.65 2dk4 h ILE 62 Ca 0.37 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 2dk4 h ILE 62 Cb 1.67 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 2dk4 h ILE 62 CO -0.00 0.03 0.00 0.18 -0.69 0.00 0.00 178.15 177.66 2dk4 n LEU 63 N -5.16 0.00 -4.33 1.44 4.77 0.68 -4.56 117.00 109.84 2dk4 n LEU 63 Ca -0.09 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.80 2dk4 n LEU 63 Cb 0.13 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2dk4 n LEU 63 CO 0.34 0.00 -0.33 1.07 -1.33 0.00 0.00 177.39 177.14 2dk4 n THR 64 N -0.61 0.92 -0.22 -5.08 5.66 -1.23 -4.96 114.28 108.76 2dk4 n THR 64 Ca 0.00 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2dk4 n THR 64 Cb 0.00 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 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 1.22 0.55 -4.19 1.09 -0.04 -1.26 -4.94 135.00 127.43 2dk4 n PRO 65 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 2dk4 n PRO 65 Cb 0.38 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.71 2dk4 n PRO 65 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dk4 s GLU 66 N -0.89 0.63 0.00 0.54 4.04 -1.26 -5.04 118.70 116.72 2dk4 s GLU 66 Ca 0.00 -0.60 0.00 0.00 0.04 0.00 0.00 54.97 54.41 2dk4 s GLU 66 Cb 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 34.13 33.61 2dk4 s GLU 66 CO 0.00 0.13 0.00 1.55 -1.84 0.00 0.00 175.26 175.10 2dk4 n VAL 67 N 2.03 0.00 -1.90 1.83 3.14 -1.26 -5.07 118.33 117.09 2dk4 n VAL 67 Ca -0.18 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.77 2dk4 n VAL 67 Cb 0.56 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.31 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2dk4 s ASN 68 N 1.00 6.02 -0.24 6.55 0.01 -1.26 -4.93 114.94 122.08 2dk4 s ASN 68 Ca 0.00 1.72 -0.22 0.00 -0.71 0.00 0.00 52.86 53.65 2dk4 s ASN 68 Cb 0.00 -2.52 0.06 0.00 0.41 0.00 0.00 41.25 39.20 2dk4 s ASN 68 CO 0.00 -1.54 0.65 -0.75 -1.51 0.00 0.00 177.10 173.95 2dk4 s LYS 69 N 5.34 0.75 -0.15 -0.60 2.20 -1.26 -5.14 119.74 120.89 2dk4 s LYS 69 Ca 0.83 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 57.07 2dk4 s LYS 69 Cb -0.28 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 2dk4 s LYS 69 CO 0.33 -0.09 0.99 0.20 -0.36 0.00 0.00 175.35 176.42 2dk4 s GLY 70 N 0.44 2.15 -0.01 5.54 0.00 -1.26 -5.00 107.32 109.18 2dk4 s GLY 70 Ca -0.01 0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 2dk4 s GLY 70 CO -0.01 1.96 0.85 -0.45 0.00 0.00 0.00 173.10 175.45 2dk4 s SER 71 N 1.13 -0.42 -0.39 1.64 0.15 -1.26 -5.13 113.70 109.42 2dk4 s SER 71 Ca 0.46 0.12 0.03 0.00 0.70 0.00 0.00 55.95 57.27 2dk4 s SER 71 Cb -0.17 0.41 0.16 0.00 -1.71 0.00 0.00 66.02 64.71 2dk4 s SER 71 CO 0.14 -0.63 0.39 -0.83 1.20 0.00 0.00 173.24 173.52 2dk4 s GLY 72 N -2.19 0.12 0.83 9.45 0.00 -1.26 -5.15 107.32 109.12 2dk4 s GLY 72 Ca 0.02 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 2dk4 s GLY 72 CO -0.06 2.68 1.11 2.56 0.00 0.00 0.00 173.10 179.38 2dk4 s PRO 73 N 1.14 1.83 -0.12 2.90 0.04 -1.26 -5.08 135.00 134.46 2dk4 s PRO 73 Ca 0.20 0.54 -0.33 0.00 0.04 0.00 0.00 61.00 61.45 2dk4 s PRO 73 Cb -0.12 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.65 2dk4 s PRO 73 CO -0.05 -1.77 1.17 -1.54 0.04 0.00 0.00 177.00 174.85 2dk4 s SER 74 N -3.95 -0.16 0.17 6.66 1.04 -1.26 -5.17 113.70 111.03 2dk4 s SER 74 Ca 0.62 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 57.07 2dk4 s SER 74 Cb -0.14 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2dk4 s SER 74 CO 0.54 -0.33 0.05 -0.44 0.98 0.00 0.00 173.24 174.04 2dk4 s SER 75 N -2.39 5.03 0.00 7.02 0.01 -1.26 -5.26 113.70 116.85 2dk4 s SER 75 Ca 0.10 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2dk4 s SER 75 Cb -0.00 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2dk4 s SER 75 CO -0.05 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.29