#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkz s SER 2 N 0.00 4.08 -0.22 1.61 0.01 -1.26 -5.02 113.70 112.90 2dkz s SER 2 Ca 0.00 -0.22 0.21 0.00 1.31 0.00 0.00 55.95 57.26 2dkz s SER 2 Cb 0.00 -0.85 0.47 0.00 0.21 0.00 0.00 66.02 65.85 2dkz s SER 2 CO 0.00 0.33 1.17 -1.20 0.41 0.00 0.00 173.24 173.95 2dkz n SER 3 N 2.12 0.98 0.00 2.44 7.64 -1.26 -5.04 113.62 120.50 2dkz n SER 3 Ca -0.17 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2dkz n SER 3 Cb 0.52 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2dkz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 4 N -0.51 2.50 2.72 0.23 0.00 -1.26 -5.14 105.19 103.73 2dkz n GLY 4 Ca 0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 2dkz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkz s SER 5 N 0.00 1.70 0.21 1.61 1.04 -1.26 -5.14 113.70 111.87 2dkz s SER 5 Ca 0.00 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.11 2dkz s SER 5 Cb 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2dkz s SER 5 CO 0.00 -0.33 0.19 -0.44 0.98 0.00 0.00 173.24 173.64 2dkz s SER 6 N 1.81 0.19 0.00 7.02 0.01 -1.26 -5.17 113.70 116.29 2dkz s SER 6 Ca 0.13 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2dkz s SER 6 Cb -0.16 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2dkz s SER 6 CO -0.17 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2dkz n GLY 7 N -0.30 1.17 3.73 3.44 0.00 -1.26 -5.14 105.19 106.82 2dkz n GLY 7 Ca 0.02 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2dkz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkz s PRO 8 N -1.35 4.37 0.54 1.61 0.04 -1.26 -5.00 135.00 133.95 2dkz s PRO 8 Ca 0.00 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 2dkz s PRO 8 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 2dkz s PRO 8 CO 0.00 -0.31 1.19 -0.46 0.04 0.00 0.00 177.00 177.46 2dkz s TRP 9 N 0.50 2.59 0.07 0.56 -0.00 -1.26 -5.05 118.94 116.36 2dkz s TRP 9 Ca 0.59 1.51 -0.11 0.00 -0.00 0.00 0.00 56.10 58.09 2dkz s TRP 9 Cb -0.36 -3.44 0.01 0.00 -0.00 0.00 0.00 33.47 29.68 2dkz s TRP 9 CO 0.35 -1.93 0.26 1.14 -0.00 0.00 0.00 176.95 176.76 2dkz s GLN 10 N -3.08 0.84 0.57 5.86 -2.07 -1.26 -4.95 119.66 115.56 2dkz s GLN 10 Ca 0.72 -0.73 -0.19 0.00 -1.82 0.00 0.00 55.36 53.34 2dkz s GLN 10 Cb -0.29 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 31.93 2dkz s GLN 10 CO 0.34 -0.27 1.13 -1.25 -1.32 0.00 0.00 175.29 173.91 2dkz s PRO 11 N -3.22 3.25 1.25 9.60 0.04 -1.26 -5.04 135.00 139.61 2dkz s PRO 11 Ca -0.00 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 2dkz s PRO 11 Cb 0.02 -1.99 0.31 0.00 0.04 0.00 0.00 34.50 32.87 2dkz s PRO 11 CO -0.08 -0.93 1.11 -1.25 0.04 0.00 0.00 177.00 175.90 2dkz s PRO 12 N -3.44 -1.60 0.10 0.56 0.04 -1.26 -4.96 135.00 124.44 2dkz s PRO 12 Ca 0.72 -0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 2dkz s PRO 12 Cb -0.23 -1.56 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 2dkz s PRO 12 CO 0.30 -3.93 1.71 0.00 0.04 0.00 0.00 177.00 175.11 2dkz h ALA 13 N -2.74 0.17 -3.10 8.56 0.00 -2.04 -3.42 119.26 116.70 2dkz h ALA 13 Ca -0.42 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 2dkz h ALA 13 Cb 1.28 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2dkz h ALA 13 CO 0.28 -0.30 -0.54 -0.51 0.00 0.00 0.00 179.25 178.18 2dkz s ASP 14 N -5.39 5.84 -0.58 0.00 1.01 -1.26 -5.00 116.67 111.28 2dkz s ASP 14 Ca -0.13 0.22 -0.00 0.00 0.71 0.00 0.00 52.55 53.35 2dkz s ASP 14 Cb 0.07 -1.91 0.49 0.00 1.01 0.00 0.00 42.92 42.58 2dkz s ASP 14 CO 0.69 0.28 1.99 0.18 0.21 0.00 0.00 175.17 178.52 2dkz n LEU 15 N 2.80 7.33 -1.33 1.23 4.77 -1.26 -4.42 117.00 126.11 2dkz n LEU 15 Ca -0.18 -4.02 -0.07 0.00 -0.03 0.00 0.00 56.01 51.71 2dkz n LEU 15 Cb 0.53 -0.94 0.20 0.00 -2.33 0.00 0.00 43.42 40.88 2dkz n LEU 15 CO 0.33 1.33 0.78 -1.54 -1.33 0.00 0.00 177.39 176.96 2dkz n SER 16 N -0.89 2.64 -0.61 -1.43 3.41 -1.26 -3.51 113.62 111.97 2dkz n SER 16 Ca 0.59 -3.77 -0.01 0.00 -0.26 0.00 0.00 58.87 55.43 2dkz n SER 16 Cb 0.93 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkz n GLY 17 N -1.13 0.86 3.62 5.00 0.00 -1.26 -4.75 105.19 107.53 2dkz n GLY 17 Ca 0.37 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 2dkz n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkz s LEU 18 N 0.00 3.75 1.06 0.99 1.43 -1.26 -5.02 118.68 119.64 2dkz s LEU 18 Ca 0.01 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 2dkz s LEU 18 Cb 0.01 -1.94 0.22 0.00 0.03 0.00 0.00 46.19 44.51 2dkz s LEU 18 CO -0.00 0.18 1.11 -0.44 0.23 0.00 0.00 176.35 177.42 2dkz s SER 19 N 0.33 2.12 0.40 2.29 0.01 -1.26 -0.27 113.70 117.32 2dkz s SER 19 Ca 0.02 0.96 0.07 0.00 1.31 0.00 0.00 55.95 58.31 2dkz s SER 19 Cb -0.12 -1.48 0.83 0.00 0.21 0.00 0.00 66.02 65.46 2dkz s SER 19 CO 0.00 -3.42 2.04 0.40 0.41 0.00 0.00 173.24 172.68 2dkz h ILE 20 N -2.09 1.12 -0.06 1.44 2.04 -1.94 -1.41 117.51 116.60 2dkz h ILE 20 Ca -0.51 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 64.93 2dkz h ILE 20 Cb 1.32 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2dkz h ILE 20 CO 0.51 0.12 -0.67 -0.08 0.00 0.00 0.00 178.15 178.02 2dkz h GLU 21 N 0.56 0.28 -0.08 2.37 4.81 -1.91 -3.12 114.58 117.48 2dkz h GLU 21 Ca 0.15 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2dkz h GLU 21 Cb -0.03 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2dkz h GLU 21 CO -0.03 0.85 -0.59 0.93 -0.73 0.00 0.00 179.01 179.45 2dkz h GLU 22 N 0.20 0.27 -0.76 1.92 4.39 -1.67 -3.16 114.58 115.77 2dkz h GLU 22 Ca -0.02 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.57 2dkz h GLU 22 Cb 1.22 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.83 2dkz h GLU 22 CO 0.11 0.78 0.44 0.28 -1.16 0.00 0.00 179.01 179.46 2dkz h VAL 23 N 0.20 0.98 -0.79 3.13 2.07 -1.23 -0.47 116.25 120.14 2dkz h VAL 23 Ca -0.00 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 67.46 2dkz h VAL 23 Cb 1.09 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2dkz h VAL 23 CO 0.09 0.15 0.56 0.28 0.02 0.00 0.00 177.57 178.67 2dkz h SER 24 N 0.80 0.10 0.67 0.57 0.02 -1.60 0.19 113.55 114.29 2dkz h SER 24 Ca 0.34 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.11 2dkz h SER 24 Cb 0.22 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2dkz h SER 24 CO -0.19 0.04 -1.46 0.11 -1.14 0.00 0.00 176.83 174.18 2dkz h LYS 25 N 0.10 0.00 -0.75 3.45 1.57 -1.29 -3.34 116.57 116.31 2dkz h LYS 25 Ca 0.39 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.26 2dkz h LYS 25 Cb 1.38 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 2dkz h LYS 25 CO -0.04 0.33 0.40 0.77 -0.57 0.00 0.00 179.45 180.34 2dkz h SER 26 N 0.00 0.54 0.84 0.86 0.02 0.80 -0.41 113.55 116.21 2dkz h SER 26 Ca -0.19 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.71 2dkz h SER 26 Cb 1.67 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 2dkz h SER 26 CO 0.05 0.31 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.47 2dkz h LEU 27 N 0.67 0.00 -2.03 5.07 3.38 -1.66 -3.06 115.31 117.68 2dkz h LEU 27 Ca 0.37 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.47 2dkz h LEU 27 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2dkz h LEU 27 CO -0.26 0.51 0.37 -0.09 0.09 0.00 0.00 178.44 179.06 2dkz h ARG 28 N 0.00 0.00 -0.50 1.13 9.65 -1.18 -0.25 114.38 123.23 2dkz h ARG 28 Ca -0.01 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2dkz h ARG 28 Cb 1.07 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.58 2dkz h ARG 28 CO 0.07 0.00 0.11 0.35 2.80 0.00 0.00 179.97 183.30 2dkz h PHE 29 N 0.00 0.19 0.00 2.20 3.57 -1.48 -2.51 116.94 118.91 2dkz h PHE 29 Ca 0.21 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.54 2dkz h PHE 29 Cb 0.94 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2dkz h PHE 29 CO 0.00 0.01 -1.41 -0.84 -2.23 0.00 0.00 178.31 173.84 2dkz h ILE 30 N 0.26 0.68 -2.18 1.41 3.07 -1.48 -3.50 117.51 115.77 2dkz h ILE 30 Ca 0.25 -2.28 0.00 0.00 1.55 0.00 0.00 64.86 64.38 2dkz h ILE 30 Cb 0.33 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2dkz h ILE 30 CO -0.32 0.39 0.00 0.61 -1.05 0.00 0.00 178.15 177.78 2dkz n GLY 31 N 1.42 -1.39 3.03 0.16 0.00 -0.21 -5.12 105.19 103.08 2dkz n GLY 31 Ca -0.10 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 2dkz n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkz n LEU 32 N -0.14 0.00 -4.77 0.99 4.77 -1.25 -5.03 117.00 111.55 2dkz n LEU 32 Ca 0.00 -2.23 -0.38 0.00 -0.03 0.00 0.00 56.01 53.38 2dkz n LEU 32 Cb 0.00 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2dkz n LEU 32 CO 0.00 -0.54 0.77 -0.44 -1.33 0.00 0.00 177.39 175.85 2dkz s SER 33 N -3.61 6.77 0.52 -1.43 0.01 -1.26 -4.93 113.70 109.77 2dkz s SER 33 Ca 0.29 2.15 0.20 0.00 1.31 0.00 0.00 55.95 59.90 2dkz s SER 33 Cb -0.02 -2.60 1.35 0.00 0.21 0.00 0.00 66.02 64.95 2dkz s SER 33 CO 0.18 -0.49 2.13 1.05 0.41 0.00 0.00 173.24 176.52 2dkz h GLU 34 N 2.73 0.00 -0.26 12.44 4.11 -2.00 -1.90 114.58 129.70 2dkz h GLU 34 Ca -0.48 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.76 2dkz h GLU 34 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2dkz h GLU 34 CO 0.63 0.06 -0.58 0.22 0.07 0.00 0.00 179.01 179.41 2dkz h ASP 35 N 0.00 0.93 0.13 3.06 3.58 -1.99 -2.66 116.42 119.47 2dkz h ASP 35 Ca -0.00 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 56.93 2dkz h ASP 35 Cb 0.11 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.90 2dkz h ASP 35 CO 0.01 1.30 -0.06 0.58 -2.88 0.00 0.00 179.24 178.18 2dkz h VAL 36 N 0.62 1.03 -0.37 2.25 2.07 -1.75 -1.19 116.25 118.91 2dkz h VAL 36 Ca 0.01 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.83 2dkz h VAL 36 Cb 1.18 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 2dkz h VAL 36 CO 0.12 0.18 -0.04 0.40 0.02 0.00 0.00 177.57 178.26 2dkz h ILE 37 N -0.54 0.68 0.00 4.57 2.04 -1.47 -0.05 117.51 122.74 2dkz h ILE 37 Ca -0.02 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2dkz h ILE 37 Cb 0.43 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2dkz h ILE 37 CO 0.03 0.01 -0.22 0.77 0.00 0.00 0.00 178.15 178.74 2dkz h SER 38 N 0.06 0.00 0.27 1.72 4.64 -1.50 -2.22 113.55 116.53 2dkz h SER 38 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2dkz h SER 38 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2dkz h SER 38 CO -0.34 0.22 -0.14 -0.26 -0.87 0.00 0.00 176.83 175.44 2dkz h PHE 39 N 0.00 0.00 0.00 4.77 0.04 0.29 -1.36 116.94 120.68 2dkz h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2dkz h PHE 39 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 2dkz h PHE 39 CO 0.00 0.14 -0.15 0.74 -0.60 0.00 0.00 178.31 178.44 2dkz h PHE 40 N 0.00 0.00 -0.52 -0.55 -1.00 -1.09 -3.20 116.94 110.58 2dkz h PHE 40 Ca -0.00 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.87 2dkz h PHE 40 Cb 0.32 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.80 2dkz h PHE 40 CO 0.00 0.35 0.07 0.28 -1.61 0.00 0.00 178.31 177.39 2dkz h VAL 41 N -1.00 0.66 0.00 -0.55 2.07 -1.50 0.22 116.25 116.15 2dkz h VAL 41 Ca -0.02 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2dkz h VAL 41 Cb 0.40 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2dkz h VAL 41 CO -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 177.57 177.61 2dkz h THR 42 N 0.19 0.50 -0.57 2.57 1.03 -1.41 0.05 112.91 115.27 2dkz h THR 42 Ca 0.26 -0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.52 2dkz h THR 42 Cb 0.38 1.00 -0.09 0.00 -1.07 0.00 0.00 68.15 68.38 2dkz h THR 42 CO -0.38 0.00 0.18 -0.62 -0.01 0.00 0.00 175.52 174.70 2dkz n GLU 43 N -3.81 3.36 -2.05 0.00 -0.58 0.58 -4.87 120.64 113.26 2dkz n GLU 43 Ca -0.03 -2.45 -0.16 0.00 -0.42 0.00 0.00 57.16 54.10 2dkz n GLU 43 Cb 0.08 -2.05 -0.03 0.00 -0.57 0.00 0.00 31.44 28.87 2dkz n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2dkz n LYS 44 N 0.04 -1.74 -2.49 3.49 4.81 0.00 -4.90 118.16 117.37 2dkz n LYS 44 Ca 0.31 0.85 -0.43 0.00 -0.87 0.00 0.00 58.31 58.17 2dkz n LYS 44 Cb 1.15 -5.35 -0.02 0.00 0.02 0.00 0.00 35.03 30.83 2dkz n LYS 44 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2dkz s ILE 45 N -2.63 4.39 0.33 3.15 -1.09 -0.08 -4.99 121.20 120.28 2dkz s ILE 45 Ca 0.00 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 2dkz s ILE 45 Cb 0.00 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2dkz s ILE 45 CO 0.00 -0.12 0.02 -0.90 -1.23 0.00 0.00 174.94 172.72 2dkz n ASP 46 N 6.24 2.84 -0.15 3.58 5.75 -1.26 -4.36 116.55 129.20 2dkz n ASP 46 Ca 0.13 -2.42 -0.05 0.00 -0.01 0.00 0.00 54.79 52.44 2dkz n ASP 46 Cb 0.45 0.21 0.04 0.00 -1.03 0.00 0.00 41.12 40.79 2dkz n ASP 46 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dkz h GLY 47 N 0.76 0.64 2.00 6.12 0.00 -0.81 0.11 103.07 111.89 2dkz h GLY 47 Ca -0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2dkz h GLY 47 CO 0.44 0.11 -0.19 -0.57 0.00 0.00 0.00 176.54 176.34 2dkz h ASN 48 N 0.46 0.00 0.11 0.19 -1.24 -1.74 -2.54 115.58 110.82 2dkz h ASN 48 Ca 0.20 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 57.01 2dkz h ASN 48 Cb 0.10 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.17 2dkz h ASN 48 CO -0.14 0.19 -0.86 0.25 -1.29 0.00 0.00 177.43 175.58 2dkz h LEU 49 N 0.00 0.57 -0.14 0.34 7.12 -1.59 -3.19 115.31 118.42 2dkz h LEU 49 Ca -0.00 -0.88 0.02 0.00 0.13 0.00 0.00 57.88 57.15 2dkz h LEU 49 Cb 0.43 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.36 2dkz h LEU 49 CO 0.02 1.40 0.01 0.25 -0.13 0.00 0.00 178.44 179.99 2dkz h LEU 50 N -0.17 -0.03 -2.30 2.25 5.85 -0.61 -0.14 115.31 120.16 2dkz h LEU 50 Ca -0.14 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2dkz h LEU 50 Cb 1.63 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 2dkz h LEU 50 CO 0.16 0.01 0.12 -0.37 -0.34 0.00 0.00 178.44 178.02 2dkz h VAL 51 N 0.06 0.53 0.00 1.05 -1.51 -1.58 -0.37 116.25 114.44 2dkz h VAL 51 Ca 0.06 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.31 2dkz h VAL 51 Cb 0.07 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 2dkz h VAL 51 CO -0.10 0.00 -1.22 1.56 -1.23 0.00 0.00 177.57 176.58 2dkz h GLN 52 N 0.00 0.00 -6.97 5.19 4.20 -1.22 -3.46 115.11 112.85 2dkz h GLN 52 Ca 0.05 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.22 2dkz h GLN 52 Cb 0.29 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.18 2dkz h GLN 52 CO -0.00 0.74 0.74 -0.51 -0.67 0.00 0.00 178.83 179.13 2dkz s LEU 53 N -6.42 4.20 0.29 1.46 1.43 -0.15 -5.02 118.68 114.46 2dkz s LEU 53 Ca -0.01 2.98 0.10 0.00 -1.03 0.00 0.00 54.13 56.18 2dkz s LEU 53 Cb 0.09 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2dkz s LEU 53 CO 0.81 -1.06 -0.15 0.42 0.23 0.00 0.00 176.35 176.60 2dkz s THR 54 N -1.17 2.24 0.53 5.49 -4.23 -1.26 -5.00 115.64 112.25 2dkz s THR 54 Ca 0.58 -2.30 0.24 0.00 -1.18 0.00 0.00 61.69 59.02 2dkz s THR 54 Cb -0.45 -2.38 0.37 0.00 1.34 0.00 0.00 72.50 71.38 2dkz s THR 54 CO 0.59 -0.36 2.03 -0.08 -0.54 0.00 0.00 174.62 176.26 2dkz h GLU 55 N 2.24 0.00 -0.22 3.99 4.81 -1.95 0.61 114.58 124.05 2dkz h GLU 55 Ca -0.40 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.71 2dkz h GLU 55 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dkz h GLU 55 CO 0.64 0.00 -0.32 0.93 -0.73 0.00 0.00 179.01 179.52 2dkz h GLU 56 N 0.00 0.61 -0.23 1.92 5.08 -1.99 -2.93 114.58 117.04 2dkz h GLU 56 Ca 0.19 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 2dkz h GLU 56 Cb 0.79 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2dkz h GLU 56 CO -0.00 0.97 -0.56 0.82 -1.00 0.00 0.00 179.01 179.23 2dkz h ILE 57 N 0.30 1.30 0.00 3.13 2.04 -1.60 0.23 117.51 122.90 2dkz h ILE 57 Ca 0.02 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2dkz h ILE 57 Cb 0.91 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2dkz h ILE 57 CO 0.08 0.57 -0.02 -0.07 0.00 0.00 0.00 178.15 178.70 2dkz h LEU 58 N 0.55 0.00 0.00 1.44 3.38 -0.96 0.17 115.31 119.89 2dkz h LEU 58 Ca 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 2dkz h LEU 58 Cb 1.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2dkz h LEU 58 CO 0.12 0.02 -2.23 -0.24 0.09 0.00 0.00 178.44 176.20 2dkz n SER 59 N -3.94 0.15 0.03 -0.43 2.88 -1.11 -0.12 113.62 111.09 2dkz n SER 59 Ca -0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.48 2dkz n SER 59 Cb 0.11 1.29 -0.01 0.00 -0.75 0.00 0.00 64.21 64.84 2dkz n SER 59 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dkz h GLU 60 N 0.00 -0.18 0.00 -1.46 4.39 0.01 -3.20 114.58 114.14 2dkz h GLU 60 Ca -0.37 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2dkz h GLU 60 Cb 1.83 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 2dkz h GLU 60 CO 0.02 -0.12 0.00 -0.25 -1.16 0.00 0.00 179.01 177.50 2dkz n ASP 61 N -4.84 0.00 -0.28 1.42 9.92 0.54 -4.36 116.55 118.95 2dkz n ASP 61 Ca -0.02 0.26 0.06 0.00 -0.53 0.00 0.00 54.79 54.56 2dkz n ASP 61 Cb 0.07 -0.29 0.20 0.00 -0.64 0.00 0.00 41.12 40.47 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2dkz h PHE 62 N 0.00 0.68 -6.01 1.24 -1.00 -1.64 -3.46 116.94 106.75 2dkz h PHE 62 Ca 0.00 0.03 -0.42 0.00 2.81 0.00 0.00 57.97 60.39 2dkz h PHE 62 Cb 0.00 -0.18 0.07 0.00 3.61 0.00 0.00 35.95 39.46 2dkz h PHE 62 CO 0.00 0.15 -0.72 1.63 -1.61 0.00 0.00 178.31 177.76 2dkz n LYS 63 N -4.91 -6.93 -1.24 1.51 5.02 0.83 -4.95 118.16 107.49 2dkz n LYS 63 Ca 0.16 0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 56.89 2dkz n LYS 63 Cb 0.41 -5.72 0.20 0.00 -0.02 0.00 0.00 35.03 29.91 2dkz n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dkz s LEU 64 N -7.23 1.30 1.05 -0.35 1.43 -0.91 -4.96 118.68 109.01 2dkz s LEU 64 Ca 0.56 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 2dkz s LEU 64 Cb -0.26 -2.77 0.22 0.00 0.03 0.00 0.00 46.19 43.40 2dkz s LEU 64 CO 0.77 -3.51 1.07 -0.55 0.23 0.00 0.00 176.35 174.36 2dkz s SER 65 N -3.87 2.10 0.06 2.29 0.15 -1.26 -4.76 113.70 108.41 2dkz s SER 65 Ca 0.69 1.36 -0.23 0.00 0.70 0.00 0.00 55.95 58.47 2dkz s SER 65 Cb -0.13 -2.06 -0.14 0.00 -1.71 0.00 0.00 66.02 61.98 2dkz s SER 65 CO 0.56 -3.48 1.56 0.50 1.20 0.00 0.00 173.24 173.58 2dkz h LYS 66 N -2.13 0.12 -0.65 5.44 1.63 -1.98 -1.05 116.57 117.95 2dkz h LYS 66 Ca -0.56 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.24 2dkz h LYS 66 Cb 1.33 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.90 2dkz h LYS 66 CO 0.54 0.29 0.40 -0.07 -3.45 0.00 0.00 179.45 177.16 2dkz h LEU 67 N -0.07 0.64 0.49 5.20 -0.00 -1.98 -0.50 115.31 119.08 2dkz h LEU 67 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 2dkz h LEU 67 Cb 0.22 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2dkz h LEU 67 CO -0.00 0.45 -0.23 1.56 -0.00 0.00 0.00 178.44 180.21 2dkz h GLN 68 N 0.78 -0.63 -0.38 1.13 4.20 -1.90 0.72 115.11 119.02 2dkz h GLN 68 Ca 0.26 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.12 2dkz h GLN 68 Cb 0.03 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2dkz h GLN 68 CO -0.11 -0.37 0.27 0.28 -0.67 0.00 0.00 178.83 178.23 2dkz h VAL 69 N -0.76 0.82 0.06 -0.54 2.07 -1.02 0.22 116.25 117.09 2dkz h VAL 69 Ca -0.07 -0.01 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 2dkz h VAL 69 Cb 0.55 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2dkz h VAL 69 CO 0.11 0.00 -1.06 0.50 0.02 0.00 0.00 177.57 177.14 2dkz h LYS 70 N 0.02 0.21 -0.00 1.57 3.64 -0.73 -2.96 116.57 118.32 2dkz h LYS 70 Ca 0.18 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2dkz h LYS 70 Cb 0.70 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2dkz h LYS 70 CO -0.01 1.09 -0.02 -0.22 -2.27 0.00 0.00 179.45 178.03 2dkz h LYS 71 N 0.08 0.01 -0.58 1.90 3.64 0.96 -3.05 116.57 119.54 2dkz h LYS 71 Ca -0.08 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2dkz h LYS 71 Cb 1.76 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.52 2dkz h LYS 71 CO 0.17 0.80 0.24 0.82 -2.27 0.00 0.00 179.45 179.20 2dkz h ILE 72 N -0.77 0.84 -0.26 2.00 2.04 -0.78 -1.95 117.51 118.62 2dkz h ILE 72 Ca -0.00 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2dkz h ILE 72 Cb 0.80 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2dkz h ILE 72 CO 0.00 0.08 0.03 0.24 0.00 0.00 0.00 178.15 178.51 2dkz h MET 73 N 0.44 0.12 -0.24 2.37 2.86 -1.62 -1.02 114.93 117.85 2dkz h MET 73 Ca 0.28 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 2dkz h MET 73 Cb 0.29 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2dkz h MET 73 CO -0.25 0.08 0.17 1.96 1.06 0.00 0.00 176.91 179.92 2dkz h GLN 74 N 0.12 0.09 -0.29 1.72 1.08 -1.28 -1.38 115.11 115.17 2dkz h GLN 74 Ca 0.12 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.15 2dkz h GLN 74 Cb 0.14 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2dkz h GLN 74 CO -0.18 0.06 -0.48 0.35 -0.95 0.00 0.00 178.83 177.63 2dkz h PHE 75 N 0.09 1.04 0.50 2.96 3.57 -0.49 0.97 116.94 125.58 2dkz h PHE 75 Ca 0.11 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 2dkz h PHE 75 Cb 0.32 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2dkz h PHE 75 CO -0.00 1.18 -0.24 0.82 -2.23 0.00 0.00 178.31 177.83 2dkz h ILE 76 N 0.61 0.00 -0.56 1.41 2.04 -0.47 -3.25 117.51 117.29 2dkz h ILE 76 Ca 0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2dkz h ILE 76 Cb 1.09 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2dkz h ILE 76 CO 0.11 0.00 0.32 0.78 0.00 0.00 0.00 178.15 179.36 2dkz h ASN 77 N -0.96 0.67 -0.42 1.72 2.35 -1.43 -3.48 115.58 114.02 2dkz h ASN 77 Ca -0.07 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2dkz h ASN 77 Cb 0.52 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2dkz h ASN 77 CO 0.11 0.52 0.00 0.61 -1.65 0.00 0.00 177.43 177.03 2dkz n GLY 78 N -1.33 0.29 3.65 2.83 0.00 0.28 -4.97 105.19 105.94 2dkz n GLY 78 Ca 0.05 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2dkz n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkz n SER 79 N 0.00 4.02 -4.24 1.61 7.64 -0.88 -4.97 113.62 116.79 2dkz n SER 79 Ca 0.00 0.79 -0.29 0.00 1.01 0.00 0.00 58.87 60.39 2dkz n SER 79 Cb 0.00 -1.53 0.17 0.00 -1.01 0.00 0.00 64.21 61.84 2dkz n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 80 N 5.07 1.77 -0.95 0.23 0.00 -1.26 -4.93 107.32 107.24 2dkz s GLY 80 Ca 0.91 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 2dkz s GLY 80 CO 0.41 -0.53 1.94 2.56 0.00 0.00 0.00 173.10 177.48 2dkz s PRO 81 N -5.77 2.54 0.10 2.90 0.04 -1.26 -4.95 135.00 128.60 2dkz s PRO 81 Ca 0.72 -0.45 -0.04 0.00 0.04 0.00 0.00 61.00 61.27 2dkz s PRO 81 Cb -0.04 -5.10 -0.05 0.00 0.04 0.00 0.00 34.50 29.35 2dkz s PRO 81 CO 0.52 -3.49 0.32 -1.12 0.04 0.00 0.00 177.00 173.27 2dkz s SER 82 N 7.75 6.47 -1.18 6.66 0.01 -1.26 -4.47 113.70 127.68 2dkz s SER 82 Ca 0.70 0.52 -0.08 0.00 1.31 0.00 0.00 55.95 58.39 2dkz s SER 82 Cb -0.06 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2dkz s SER 82 CO 0.02 0.12 0.80 -0.24 0.41 0.00 0.00 173.24 174.35 2dkz n SER 83 N 0.35 -3.91 0.00 2.44 2.88 -1.26 -5.29 113.62 108.83 2dkz n SER 83 Ca -0.05 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2dkz n SER 83 Cb 0.52 -4.21 0.00 0.00 -0.75 0.00 0.00 64.21 59.77 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42