#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2p s GLY 23 N 0.00 1.91 -0.44 0.00 0.00 -1.26 -1.71 107.32 105.83 2k2p s GLY 23 Ca 0.00 -1.65 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 2k2p s GLY 23 CO 0.00 0.81 1.06 1.08 0.00 0.00 0.00 173.10 176.05 2k2p s LEU 24 N 1.56 3.79 -0.04 0.66 1.43 -0.37 -4.80 118.68 120.91 2k2p s LEU 24 Ca 0.02 0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 53.37 2k2p s LEU 24 Cb -0.19 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2k2p s LEU 24 CO 0.06 -1.11 0.82 -0.55 0.23 0.00 0.00 176.35 175.81 2k2p s SER 25 N 2.23 7.14 -0.25 2.29 0.15 -1.26 -1.34 113.70 122.66 2k2p s SER 25 Ca 0.44 1.38 0.01 0.00 0.70 0.00 0.00 55.95 58.49 2k2p s SER 25 Cb -0.09 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2k2p s SER 25 CO 0.27 -0.19 -0.03 -0.36 1.20 0.00 0.00 173.24 174.12 2k2p s PHE 26 N 0.97 2.43 -0.58 3.44 0.08 -0.79 -4.90 117.98 118.63 2k2p s PHE 26 Ca 0.44 -1.84 -0.26 0.00 0.12 0.00 0.00 56.93 55.38 2k2p s PHE 26 Cb -0.19 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2k2p s PHE 26 CO 0.22 -0.79 1.08 -1.58 -0.10 0.00 0.00 175.22 174.05 2k2p s HIS 27 N 1.38 2.67 -0.43 0.36 5.65 -1.26 -1.83 115.29 121.83 2k2p s HIS 27 Ca -0.03 0.19 0.04 0.00 0.25 0.00 0.00 55.06 55.51 2k2p s HIS 27 Cb -0.19 -4.33 0.12 0.00 -1.18 0.00 0.00 32.58 27.00 2k2p s HIS 27 CO -0.08 -1.51 0.16 0.08 -0.65 0.00 0.00 174.74 172.74 2k2p s VAL 28 N 4.54 2.35 0.23 0.89 1.01 -0.56 -0.49 120.40 128.37 2k2p s VAL 28 Ca 0.37 -2.79 0.24 0.00 0.00 0.00 0.00 61.98 59.80 2k2p s VAL 28 Cb -0.10 -2.69 0.23 0.00 0.00 0.00 0.00 36.38 33.82 2k2p s VAL 28 CO 0.22 -0.71 1.88 -0.33 0.00 0.00 0.00 175.10 176.16 2k2p h GLU 29 N 7.07 0.00 0.00 2.72 5.08 -1.81 -2.80 114.58 124.85 2k2p h GLU 29 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k2p h GLU 29 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k2p h GLU 29 CO 0.60 0.23 -0.01 0.22 -1.00 0.00 0.00 179.01 179.05 2k2p h ASP 30 N 0.00 0.00 -3.77 1.42 3.58 -1.92 -3.44 116.42 112.28 2k2p h ASP 30 Ca -0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 2k2p h ASP 30 Cb 0.66 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.73 2k2p h ASP 30 CO 0.03 0.01 0.50 -0.32 -2.88 0.00 0.00 179.24 176.58 2k2p s MET 31 N -3.44 4.59 0.30 0.28 1.75 -1.06 -5.08 119.30 116.64 2k2p s MET 31 Ca 0.04 1.86 0.07 0.00 -1.25 0.00 0.00 55.69 56.41 2k2p s MET 31 Cb 0.07 -3.18 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 2k2p s MET 31 CO 0.61 0.13 0.35 -0.08 -0.65 0.00 0.00 175.02 175.37 2k2p s THR 32 N -1.01 4.17 0.00 10.11 -1.32 -1.26 -4.90 115.64 121.42 2k2p s THR 32 Ca 0.46 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 2k2p s THR 32 Cb -0.33 -3.41 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 2k2p s THR 32 CO 0.42 -0.23 0.00 0.00 -2.21 0.00 0.00 174.62 172.60 2k2p h GLY 34 N 0.00 0.26 2.00 0.00 0.00 -1.99 0.68 103.07 104.03 2k2p h GLY 34 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k2p h GLY 34 CO 0.00 0.28 0.00 1.42 0.00 0.00 0.00 176.54 178.24 2k2p n HIS 35 N -3.90 0.79 -0.04 5.60 -0.00 -1.26 -3.28 115.22 113.13 2k2p n HIS 35 Ca -0.02 0.28 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 2k2p n HIS 35 Cb 0.60 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.64 2k2p n HIS 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k2p h ALA 37 N 0.00 -0.69 -0.57 0.00 0.00 -0.85 -2.04 119.26 115.10 2k2p h ALA 37 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k2p h ALA 37 Cb 0.02 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k2p h ALA 37 CO 0.00 -0.91 0.08 0.78 0.00 0.00 0.00 179.25 179.19 2k2p h GLY 38 N -0.69 1.00 1.16 0.00 0.00 -1.86 -1.90 103.07 100.78 2k2p h GLY 38 Ca -0.04 -0.65 -0.25 0.00 0.00 0.00 0.00 47.33 46.40 2k2p h GLY 38 CO 0.00 0.60 -0.93 -0.24 0.00 0.00 0.00 176.54 175.97 2k2p h VAL 39 N 0.88 1.29 -0.03 4.60 3.04 -1.89 -1.39 116.25 122.75 2k2p h VAL 39 Ca 0.18 -2.14 -0.21 0.00 -1.01 0.00 0.00 66.70 63.51 2k2p h VAL 39 Cb 0.41 2.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 2k2p h VAL 39 CO 0.01 0.67 -0.87 -0.29 -1.01 0.00 0.00 177.57 176.08 2k2p h ILE 40 N 0.40 1.39 0.17 3.17 2.10 -1.33 -1.66 117.51 121.75 2k2p h ILE 40 Ca -0.10 -2.33 -0.01 0.00 1.08 0.00 0.00 64.86 63.50 2k2p h ILE 40 Cb 1.58 2.30 0.00 0.00 -1.09 0.00 0.00 36.82 39.61 2k2p h ILE 40 CO 0.19 0.70 -0.08 0.11 -1.08 0.00 0.00 178.15 177.98 2k2p h LYS 41 N 0.27 -0.22 -0.01 2.19 1.57 -1.43 -3.18 116.57 115.75 2k2p h LYS 41 Ca -0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k2p h LYS 41 Cb 1.49 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.85 2k2p h LYS 41 CO 0.15 0.05 0.01 0.78 -0.57 0.00 0.00 179.45 179.87 2k2p h GLY 42 N -0.49 0.00 0.74 3.86 0.00 -1.26 0.21 103.07 106.13 2k2p h GLY 42 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2k2p h GLY 42 CO 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.31 2k2p h ALA 43 N 2.00 -0.58 -0.07 3.60 0.00 -1.28 -2.65 119.26 120.27 2k2p h ALA 43 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2k2p h ALA 43 Cb 0.02 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k2p h ALA 43 CO -0.00 -0.85 -0.32 0.82 0.00 0.00 0.00 179.25 178.89 2k2p h ILE 44 N -0.59 1.42 -0.35 0.00 2.04 -1.48 -3.31 117.51 115.24 2k2p h ILE 44 Ca -0.02 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.11 2k2p h ILE 44 Cb 0.53 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2k2p h ILE 44 CO -0.03 0.50 0.15 -0.08 0.00 0.00 0.00 178.15 178.68 2k2p h GLU 45 N -0.14 0.52 0.00 2.37 4.22 -1.01 -0.41 114.58 120.14 2k2p h GLU 45 Ca -0.02 -0.09 -0.09 0.00 0.08 0.00 0.00 59.36 59.24 2k2p h GLU 45 Cb 0.97 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2k2p h GLU 45 CO 0.07 0.50 -0.41 0.87 -2.18 0.00 0.00 179.01 177.86 2k2p h LYS 46 N 0.42 0.00 0.09 1.92 6.56 -1.64 -3.10 116.57 120.83 2k2p h LYS 46 Ca 0.12 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.44 2k2p h LYS 46 Cb 0.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 2k2p h LYS 46 CO -0.01 0.41 -1.28 1.15 -2.06 0.00 0.00 179.45 177.65 2k2p h THR 47 N 0.00 1.43 -3.33 -0.16 2.02 -1.52 -3.41 112.91 107.94 2k2p h THR 47 Ca -0.00 -3.06 -0.63 0.00 0.77 0.00 0.00 66.41 63.49 2k2p h THR 47 Cb 0.86 2.86 -0.40 0.00 -1.74 0.00 0.00 68.15 69.73 2k2p h THR 47 CO 0.05 0.87 -0.71 -0.69 0.37 0.00 0.00 175.52 175.42 2k2p s VAL 48 N -2.65 1.86 -0.26 3.16 1.01 -0.21 -5.09 120.40 118.21 2k2p s VAL 48 Ca -0.04 -2.46 -0.28 0.00 0.00 0.00 0.00 61.98 59.20 2k2p s VAL 48 Cb 0.08 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2k2p s VAL 48 CO 0.86 -0.74 1.88 -2.84 0.00 0.00 0.00 175.10 174.27 2k2p s PRO 49 N 0.61 3.40 0.00 2.72 0.02 -1.22 -2.30 135.00 138.22 2k2p s PRO 49 Ca 0.14 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2k2p s PRO 49 Cb -0.22 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.09 2k2p s PRO 49 CO -0.07 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.22 2k2p n GLY 50 N 5.35 1.57 3.58 0.52 0.00 -1.26 -5.09 105.19 109.86 2k2p n GLY 50 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2k2p n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2p s ALA 51 N -1.85 2.89 -0.73 4.61 0.00 -0.97 -4.46 121.76 121.24 2k2p s ALA 51 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 2k2p s ALA 51 Cb 0.00 -4.06 0.03 0.00 0.00 0.00 0.00 23.12 19.09 2k2p s ALA 51 CO 0.00 -2.77 1.27 0.00 0.00 0.00 0.00 175.76 174.26 2k2p s ALA 52 N 5.71 2.77 0.02 0.00 0.00 -0.47 -4.74 121.76 125.05 2k2p s ALA 52 Ca 0.52 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 2k2p s ALA 52 Cb -0.10 -4.24 -0.05 0.00 0.00 0.00 0.00 23.12 18.72 2k2p s ALA 52 CO 0.27 -3.26 0.78 0.14 0.00 0.00 0.00 175.76 173.69 2k2p s VAL 53 N 5.68 4.81 -0.27 0.00 -7.23 -1.26 -1.37 120.40 120.75 2k2p s VAL 53 Ca 0.35 1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 62.14 2k2p s VAL 53 Cb -0.08 -4.13 0.10 0.00 0.56 0.00 0.00 36.38 32.83 2k2p s VAL 53 CO 0.15 0.31 0.16 -2.28 -0.31 0.00 0.00 175.10 173.13 2k2p s HIS 54 N 0.26 0.14 -0.03 2.82 2.46 -0.14 -4.95 115.29 115.86 2k2p s HIS 54 Ca 0.40 -0.63 -0.27 0.00 0.47 0.00 0.00 55.06 55.03 2k2p s HIS 54 Cb -0.20 -0.77 -0.03 0.00 -0.13 0.00 0.00 32.58 31.44 2k2p s HIS 54 CO 0.23 -0.79 0.84 0.00 -2.47 0.00 0.00 174.74 172.55 2k2p s ALA 55 N 2.16 3.25 -0.39 1.58 0.00 -1.26 -1.26 121.76 125.86 2k2p s ALA 55 Ca 0.08 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 2k2p s ALA 55 Cb -0.16 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.86 2k2p s ALA 55 CO -0.31 -0.15 0.21 0.34 0.00 0.00 0.00 175.76 175.85 2k2p s ASP 56 N 0.84 5.68 0.27 0.00 -1.08 -0.25 -4.95 116.67 117.17 2k2p s ASP 56 Ca 0.45 -1.16 -0.01 0.00 -0.52 0.00 0.00 52.55 51.31 2k2p s ASP 56 Cb -0.20 -2.00 0.60 0.00 -1.46 0.00 0.00 42.92 39.86 2k2p s ASP 56 CO 0.23 -0.43 1.67 -0.65 0.52 0.00 0.00 175.17 176.51 2k2p h PRO 57 N 8.41 0.25 0.08 4.34 0.11 -1.96 0.27 132.00 143.50 2k2p h PRO 57 Ca -0.25 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.60 2k2p h PRO 57 Cb 1.10 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.17 2k2p h PRO 57 CO 0.69 0.16 -1.01 0.00 -0.21 0.00 0.00 178.00 177.63 2k2p h ALA 58 N 1.70 0.02 0.00 -0.75 0.00 -1.99 -3.33 119.26 114.91 2k2p h ALA 58 Ca 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k2p h ALA 58 Cb 0.92 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k2p h ALA 58 CO -0.58 0.57 -0.93 0.45 0.00 0.00 0.00 179.25 178.75 2k2p n SER 59 N -3.94 0.63 -3.63 0.00 2.88 -1.18 -4.99 113.62 103.39 2k2p n SER 59 Ca -0.13 -0.22 -0.22 0.00 -1.33 0.00 0.00 58.87 56.97 2k2p n SER 59 Cb 0.88 0.68 0.06 0.00 -0.75 0.00 0.00 64.21 65.08 2k2p n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k2p n ARG 60 N -1.91 -6.29 -4.69 -1.46 3.00 0.94 -4.68 116.66 101.57 2k2p n ARG 60 Ca 0.02 0.74 -0.30 0.00 -0.01 0.00 0.00 57.85 58.30 2k2p n ARG 60 Cb 0.42 -5.62 -0.17 0.00 0.00 0.00 0.00 32.46 27.10 2k2p n ARG 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2k2p s THR 61 N -3.43 1.77 -0.44 0.55 2.01 -1.18 -1.49 115.64 113.43 2k2p s THR 61 Ca 0.25 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 2k2p s THR 61 Cb -0.12 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.86 2k2p s THR 61 CO 0.77 0.49 0.40 -0.69 -0.69 0.00 0.00 174.62 174.90 2k2p s VAL 62 N 0.77 5.16 -0.25 3.82 1.01 -0.76 -1.09 120.40 129.06 2k2p s VAL 62 Ca -0.10 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 2k2p s VAL 62 Cb -0.16 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2k2p s VAL 62 CO 0.01 -0.47 0.16 -0.69 0.00 0.00 0.00 175.10 174.11 2k2p s VAL 63 N 1.90 5.25 -0.32 2.92 1.01 -0.39 -1.88 120.40 128.89 2k2p s VAL 63 Ca 0.08 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 2k2p s VAL 63 Cb -0.20 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2k2p s VAL 63 CO 0.10 0.32 0.06 0.68 0.00 0.00 0.00 175.10 176.26 2k2p s VAL 64 N 1.32 3.32 0.46 2.92 -7.23 -0.45 -0.96 120.40 119.77 2k2p s VAL 64 Ca 0.07 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 2k2p s VAL 64 Cb -0.14 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 2k2p s VAL 64 CO 0.07 -0.19 0.75 -0.83 -0.31 0.00 0.00 175.10 174.58 2k2p s GLY 65 N 1.37 1.47 0.00 2.32 0.00 -0.48 -1.24 107.32 110.77 2k2p s GLY 65 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2k2p s GLY 65 CO 0.00 -0.44 0.00 0.61 0.00 0.00 0.00 173.10 173.27 2k2p n GLY 66 N -2.18 0.71 3.16 0.20 0.00 -0.69 -1.37 105.19 105.02 2k2p n GLY 66 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2k2p n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k2p s VAL 67 N -2.93 1.00 -0.26 1.61 -7.23 -1.25 -4.87 120.40 106.48 2k2p s VAL 67 Ca 0.00 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 2k2p s VAL 67 Cb 0.00 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2k2p s VAL 67 CO 0.00 -0.30 0.25 -0.24 -0.31 0.00 0.00 175.10 174.50 2k2p n SER 68 N 1.20 0.39 -3.94 4.85 2.88 -1.26 -4.61 113.62 113.12 2k2p n SER 68 Ca -0.21 -0.69 -0.42 0.00 -1.33 0.00 0.00 58.87 56.22 2k2p n SER 68 Cb 0.55 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 2k2p n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k2p n ASP 69 N -0.88 4.22 -0.31 -3.46 9.92 -1.26 -4.76 116.55 120.01 2k2p n ASP 69 Ca 0.01 -2.88 -0.04 0.00 -0.53 0.00 0.00 54.79 51.35 2k2p n ASP 69 Cb 0.07 -1.66 0.08 0.00 -0.64 0.00 0.00 41.12 38.97 2k2p n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2p h ALA 70 N 6.34 1.07 -0.17 2.24 0.00 -2.00 -1.78 119.26 124.96 2k2p h ALA 70 Ca 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2k2p h ALA 70 Cb 0.69 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k2p h ALA 70 CO 1.77 0.50 0.07 0.00 0.00 0.00 0.00 179.25 181.59 2k2p h ALA 71 N 1.29 0.23 -0.34 0.00 0.00 -2.00 -2.28 119.26 116.16 2k2p h ALA 71 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2k2p h ALA 71 Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k2p h ALA 71 CO -0.06 -0.18 0.08 1.25 0.00 0.00 0.00 179.25 180.33 2k2p h HIS 72 N 0.13 0.57 -0.86 0.00 6.17 -1.90 -2.06 115.15 117.21 2k2p h HIS 72 Ca 0.06 -0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.06 2k2p h HIS 72 Cb 0.17 -0.16 -0.04 0.00 2.52 0.00 0.00 27.41 29.90 2k2p h HIS 72 CO -0.01 0.59 0.52 0.82 0.71 0.00 0.00 177.93 180.55 2k2p h ILE 73 N 0.40 1.24 -0.50 6.26 1.08 -1.36 -2.24 117.51 122.39 2k2p h ILE 73 Ca 0.11 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 2k2p h ILE 73 Cb 0.30 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 2k2p h ILE 73 CO 0.00 0.25 0.26 0.00 -0.69 0.00 0.00 178.15 177.97 2k2p h ALA 74 N 1.28 1.53 -0.59 1.87 0.00 -1.10 -2.23 119.26 120.02 2k2p h ALA 74 Ca 0.31 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2k2p h ALA 74 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2k2p h ALA 74 CO -0.06 0.39 0.07 0.93 0.00 0.00 0.00 179.25 180.58 2k2p h GLU 75 N 0.69 0.99 0.00 0.00 4.39 -0.79 -2.38 114.58 117.49 2k2p h GLU 75 Ca 0.18 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2k2p h GLU 75 Cb 0.03 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2k2p h GLU 75 CO -0.03 0.95 -0.00 0.82 -1.16 0.00 0.00 179.01 179.59 2k2p h ILE 76 N 0.89 1.25 -0.02 3.13 2.04 -1.10 -2.13 117.51 121.56 2k2p h ILE 76 Ca 0.17 -0.75 -0.14 0.00 1.00 0.00 0.00 64.86 65.15 2k2p h ILE 76 Cb 0.46 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2k2p h ILE 76 CO 0.02 0.19 -0.64 -0.29 0.00 0.00 0.00 178.15 177.43 2k2p h ILE 77 N -0.32 1.43 0.00 -0.67 2.10 -1.47 -1.43 117.51 117.16 2k2p h ILE 77 Ca -0.00 -2.14 -0.15 0.00 1.08 0.00 0.00 64.86 63.66 2k2p h ILE 77 Cb 0.32 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 38.16 2k2p h ILE 77 CO 0.00 0.62 -0.70 0.00 -1.08 0.00 0.00 178.15 176.99 2k2p h THR 78 N 0.07 1.46 0.00 2.19 1.03 -1.29 -2.10 112.91 114.26 2k2p h THR 78 Ca -0.01 -2.42 0.00 0.00 -0.01 0.00 0.00 66.41 63.97 2k2p h THR 78 Cb 1.14 2.32 0.00 0.00 -1.07 0.00 0.00 68.15 70.54 2k2p h THR 78 CO 0.09 0.68 0.00 0.00 -0.01 0.00 0.00 175.52 176.28 2k2p h ALA 79 N 1.30 1.00 -0.00 0.00 0.00 -0.96 -2.25 119.26 118.36 2k2p h ALA 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k2p h ALA 79 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k2p h ALA 79 CO 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.33 2k2p n ALA 80 N -2.07 2.52 -0.57 0.00 0.00 -0.58 -4.92 120.51 114.89 2k2p n ALA 80 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k2p n ALA 80 Cb 0.37 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2k2p n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2p n GLY 81 N 1.27 0.87 2.93 0.00 0.00 -0.85 -5.08 105.19 104.33 2k2p n GLY 81 Ca 0.15 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2k2p n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2p s TYR 82 N -2.00 1.94 -0.32 1.61 2.02 -0.82 -5.02 117.35 114.76 2k2p s TYR 82 Ca 0.00 -1.25 -0.29 0.00 -0.37 0.00 0.00 57.07 55.16 2k2p s TYR 82 Cb 0.00 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2k2p s TYR 82 CO 0.00 -0.66 1.59 0.95 -1.57 0.00 0.00 175.55 175.86 2k2p s THR 83 N 1.55 3.72 0.42 -0.71 -4.23 -1.26 -2.91 115.64 112.22 2k2p s THR 83 Ca 0.00 0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 61.07 2k2p s THR 83 Cb -0.16 -3.87 -0.11 0.00 1.34 0.00 0.00 72.50 69.71 2k2p s THR 83 CO -0.08 -0.49 0.93 -2.16 -0.54 0.00 0.00 174.62 172.28 2k2p s PRO 84 N 5.04 4.20 0.00 3.99 0.04 -1.26 -4.25 135.00 142.75 2k2p s PRO 84 Ca 0.70 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2k2p s PRO 84 Cb -0.20 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2k2p s PRO 84 CO 0.31 -0.02 0.00 0.39 0.04 0.00 0.00 177.00 177.72