#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2p n GLY 23 N 0.00 -1.17 2.91 0.00 0.00 -1.15 -1.21 105.19 104.56 2k2p n GLY 23 Ca 0.00 0.69 -0.19 0.00 0.00 0.00 0.00 46.02 46.52 2k2p n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k2p s LEU 24 N 0.00 1.50 -0.14 0.99 1.98 -0.50 -4.76 118.68 117.74 2k2p s LEU 24 Ca 0.00 -0.11 -0.05 0.00 -2.89 0.00 0.00 54.13 51.07 2k2p s LEU 24 Cb 0.00 -0.39 -0.04 0.00 0.66 0.00 0.00 46.19 46.42 2k2p s LEU 24 CO 0.00 -0.02 0.05 -0.55 -1.89 0.00 0.00 176.35 173.93 2k2p s SER 25 N 0.64 5.56 -0.08 3.68 0.15 -1.26 -1.27 113.70 121.11 2k2p s SER 25 Ca -0.08 0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 2k2p s SER 25 Cb -0.11 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2k2p s SER 25 CO -0.00 0.27 0.01 -0.36 1.20 0.00 0.00 173.24 174.36 2k2p s PHE 26 N -0.22 0.68 -0.29 3.44 0.08 -0.82 -5.01 117.98 115.85 2k2p s PHE 26 Ca 0.07 -0.22 -0.18 0.00 0.12 0.00 0.00 56.93 56.72 2k2p s PHE 26 Cb -0.12 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 2k2p s PHE 26 CO 0.02 -0.35 0.54 -3.38 -0.10 0.00 0.00 175.22 171.94 2k2p s HIS 27 N 1.97 3.24 -0.66 0.36 -3.43 -1.23 -0.54 115.29 115.00 2k2p s HIS 27 Ca 0.04 0.52 -0.17 0.00 -0.80 0.00 0.00 55.06 54.66 2k2p s HIS 27 Cb -0.13 -2.82 0.13 0.00 -1.43 0.00 0.00 32.58 28.34 2k2p s HIS 27 CO -0.06 -0.38 0.72 0.08 -2.00 0.00 0.00 174.74 173.10 2k2p s VAL 28 N 2.39 5.04 0.54 -5.38 1.01 0.45 -4.30 120.40 120.14 2k2p s VAL 28 Ca 0.21 -1.43 0.24 0.00 0.00 0.00 0.00 61.98 61.01 2k2p s VAL 28 Cb -0.15 -4.48 0.31 0.00 0.00 0.00 0.00 36.38 32.05 2k2p s VAL 28 CO 0.11 -1.09 2.18 1.05 0.00 0.00 0.00 175.10 177.34 2k2p h GLU 29 N 8.84 0.00 0.00 2.72 4.11 -1.82 -1.69 114.58 126.74 2k2p h GLU 29 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2k2p h GLU 29 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2k2p h GLU 29 CO 1.03 0.03 -0.02 0.22 0.07 0.00 0.00 179.01 180.35 2k2p h ASP 30 N 0.00 0.00 -2.98 3.06 3.58 -1.92 -3.47 116.42 114.70 2k2p h ASP 30 Ca -0.00 -0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2k2p h ASP 30 Cb 0.08 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.15 2k2p h ASP 30 CO 0.00 0.00 0.75 -0.32 -2.88 0.00 0.00 179.24 176.79 2k2p s MET 31 N -3.21 4.31 0.70 0.28 1.75 -0.64 -5.05 119.30 117.45 2k2p s MET 31 Ca 0.07 2.10 -0.07 0.00 -1.25 0.00 0.00 55.69 56.54 2k2p s MET 31 Cb 0.06 -3.26 0.06 0.00 2.84 0.00 0.00 34.83 34.53 2k2p s MET 31 CO 0.67 -0.46 1.01 0.95 -0.65 0.00 0.00 175.02 176.54 2k2p s THR 32 N 1.19 2.30 0.00 10.11 -4.23 -1.26 -4.88 115.64 118.87 2k2p s THR 32 Ca 0.65 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2k2p s THR 32 Cb -0.37 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2k2p s THR 32 CO 0.30 -0.01 0.00 0.00 -0.54 0.00 0.00 174.62 174.37 2k2p n GLY 34 N 0.00 -0.23 0.19 0.00 0.00 -1.26 -2.20 105.19 101.70 2k2p n GLY 34 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2k2p n GLY 34 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k2p h HIS 35 N 0.00 0.00 0.00 1.61 -0.00 -2.03 -3.34 115.15 111.39 2k2p h HIS 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2k2p h HIS 35 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2k2p h HIS 35 CO 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 177.93 178.17 2k2p h ALA 37 N 0.00 1.54 -0.00 0.00 0.00 -1.64 -3.29 119.26 115.86 2k2p h ALA 37 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k2p h ALA 37 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k2p h ALA 37 CO 0.00 0.33 -0.03 0.78 0.00 0.00 0.00 179.25 180.33 2k2p h GLY 38 N 0.74 -0.03 1.82 0.00 0.00 -1.87 -1.46 103.07 102.27 2k2p h GLY 38 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2k2p h GLY 38 CO 0.03 -0.04 -0.26 -0.39 0.00 0.00 0.00 176.54 175.88 2k2p h VAL 39 N -0.06 1.24 0.20 4.60 -1.51 -1.95 -0.66 116.25 118.11 2k2p h VAL 39 Ca 0.02 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 2k2p h VAL 39 Cb 0.08 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2k2p h VAL 39 CO -0.04 0.33 -0.09 0.40 -1.23 0.00 0.00 177.57 176.94 2k2p h ILE 40 N 0.19 0.75 -0.69 7.19 2.04 -1.62 -1.85 117.51 123.52 2k2p h ILE 40 Ca 0.03 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2k2p h ILE 40 Cb 0.57 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2k2p h ILE 40 CO 0.04 0.19 0.39 0.11 0.00 0.00 0.00 178.15 178.88 2k2p h LYS 41 N -0.88 0.96 -0.20 2.37 1.57 -1.29 -2.82 116.57 116.27 2k2p h LYS 41 Ca -0.03 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2k2p h LYS 41 Cb 0.51 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2k2p h LYS 41 CO 0.04 0.70 -0.32 0.78 -0.57 0.00 0.00 179.45 180.09 2k2p h GLY 42 N 0.95 0.44 0.75 3.86 0.00 -1.20 -1.97 103.07 105.90 2k2p h GLY 42 Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2k2p h GLY 42 CO -0.04 0.35 -0.14 0.00 0.00 0.00 0.00 176.54 176.71 2k2p h ALA 43 N 1.31 -0.38 -0.69 3.60 0.00 -1.10 -1.70 119.26 120.30 2k2p h ALA 43 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2k2p h ALA 43 Cb 0.74 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2k2p h ALA 43 CO 0.06 -0.59 0.22 0.82 0.00 0.00 0.00 179.25 179.76 2k2p h ILE 44 N -0.64 1.25 -0.45 0.00 2.04 -1.53 -1.87 117.51 116.32 2k2p h ILE 44 Ca -0.04 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 2k2p h ILE 44 Cb 0.45 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2k2p h ILE 44 CO 0.06 0.34 0.10 -0.08 0.00 0.00 0.00 178.15 178.58 2k2p h GLU 45 N 1.01 0.73 0.00 2.37 4.57 -1.38 -0.67 114.58 121.20 2k2p h GLU 45 Ca 0.22 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2k2p h GLU 45 Cb 0.30 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2k2p h GLU 45 CO -0.01 0.73 -0.16 0.87 -1.18 0.00 0.00 179.01 179.26 2k2p h LYS 46 N 0.60 0.00 0.15 1.92 6.56 -1.21 -2.40 116.57 122.19 2k2p h LYS 46 Ca 0.14 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.39 2k2p h LYS 46 Cb 0.33 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2k2p h LYS 46 CO 0.00 0.00 -1.76 1.15 -2.06 0.00 0.00 179.45 176.78 2k2p h THR 47 N 0.00 0.85 -3.27 -0.16 2.02 -1.31 -3.42 112.91 107.62 2k2p h THR 47 Ca 0.00 -2.42 -0.63 0.00 0.77 0.00 0.00 66.41 64.12 2k2p h THR 47 Cb 0.93 2.66 -0.41 0.00 -1.74 0.00 0.00 68.15 69.58 2k2p h THR 47 CO 0.00 0.83 -0.65 -0.69 0.37 0.00 0.00 175.52 175.39 2k2p s VAL 48 N -2.55 2.40 -0.15 3.16 1.01 -0.26 -5.09 120.40 118.91 2k2p s VAL 48 Ca -0.19 -3.29 -0.29 0.00 0.00 0.00 0.00 61.98 58.21 2k2p s VAL 48 Cb 0.06 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 2k2p s VAL 48 CO 0.80 -0.84 2.10 -2.84 0.00 0.00 0.00 175.10 174.32 2k2p s PRO 49 N -0.30 3.46 0.00 2.72 0.02 -0.91 -2.08 135.00 137.91 2k2p s PRO 49 Ca 0.18 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2k2p s PRO 49 Cb -0.23 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.00 2k2p s PRO 49 CO -0.02 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.33 2k2p n GLY 50 N 5.34 1.23 3.58 0.52 0.00 -1.26 -5.09 105.19 109.52 2k2p n GLY 50 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.95 2.96 -0.78 4.61 0.00 -0.88 -4.54 121.76 121.17 2k2p s ALA 51 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 51.96 51.07 2k2p s ALA 51 Cb 0.00 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 19.10 2k2p s ALA 51 CO 0.00 -2.67 1.55 0.00 0.00 0.00 0.00 175.76 174.64 2k2p s ALA 52 N 5.33 2.45 -0.01 0.00 0.00 -0.33 -4.61 121.76 124.59 2k2p s ALA 52 Ca 0.49 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 2k2p s ALA 52 Cb -0.09 -4.36 -0.05 0.00 0.00 0.00 0.00 23.12 18.61 2k2p s ALA 52 CO 0.27 -3.71 0.60 0.14 0.00 0.00 0.00 175.76 173.06 2k2p s VAL 53 N 7.01 4.91 -0.27 0.00 -7.23 -1.26 -0.77 120.40 122.80 2k2p s VAL 53 Ca 0.50 1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 61.88 2k2p s VAL 53 Cb -0.07 -3.93 0.11 0.00 0.56 0.00 0.00 36.38 33.04 2k2p s VAL 53 CO 0.10 0.41 0.17 -2.28 -0.31 0.00 0.00 175.10 173.19 2k2p s HIS 54 N -0.16 0.08 -0.36 2.82 2.46 -0.23 -4.96 115.29 114.93 2k2p s HIS 54 Ca 0.31 -0.59 -0.25 0.00 0.47 0.00 0.00 55.06 55.00 2k2p s HIS 54 Cb -0.18 -0.74 0.01 0.00 -0.13 0.00 0.00 32.58 31.54 2k2p s HIS 54 CO 0.17 -0.81 0.88 0.00 -2.47 0.00 0.00 174.74 172.51 2k2p s ALA 55 N 2.18 3.43 -0.13 1.58 0.00 -1.26 -1.73 121.76 125.83 2k2p s ALA 55 Ca 0.08 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 2k2p s ALA 55 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2k2p s ALA 55 CO -0.32 -1.53 0.41 0.34 0.00 0.00 0.00 175.76 174.66 2k2p s ASP 56 N 1.83 6.60 0.03 0.00 -1.08 -0.07 -4.93 116.67 119.05 2k2p s ASP 56 Ca 0.36 0.71 -0.26 0.00 -0.52 0.00 0.00 52.55 52.84 2k2p s ASP 56 Cb -0.13 -2.25 -0.17 0.00 -1.46 0.00 0.00 42.92 38.92 2k2p s ASP 56 CO 0.17 0.05 1.39 -0.65 0.52 0.00 0.00 175.17 176.65 2k2p h PRO 57 N 6.64 -0.36 0.07 4.34 0.11 -1.90 -1.40 132.00 139.49 2k2p h PRO 57 Ca -0.41 0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.47 2k2p h PRO 57 Cb 1.17 0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.38 2k2p h PRO 57 CO 0.75 -0.09 -1.11 0.00 -0.21 0.00 0.00 178.00 177.34 2k2p h ALA 58 N 0.01 0.20 0.00 -0.75 0.00 -1.97 -3.19 119.26 113.56 2k2p h ALA 58 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2k2p h ALA 58 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k2p h ALA 58 CO 0.06 0.86 -0.69 1.03 0.00 0.00 0.00 179.25 180.51 2k2p h SER 59 N 0.17 0.00 -3.23 0.00 0.87 -2.01 -3.48 113.55 105.87 2k2p h SER 59 Ca -0.12 -0.07 -0.40 0.00 -1.23 0.00 0.00 61.79 59.98 2k2p h SER 59 Cb 1.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2k2p h SER 59 CO 0.19 0.03 -0.53 0.54 -0.53 0.00 0.00 176.83 176.53 2k2p n ARG 60 N -2.56 -2.42 -4.26 2.24 3.00 -0.54 -4.87 116.66 107.25 2k2p n ARG 60 Ca 0.02 0.95 -0.34 0.00 -0.01 0.00 0.00 57.85 58.47 2k2p n ARG 60 Cb 0.51 -5.61 -0.15 0.00 0.00 0.00 0.00 32.46 27.21 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 -3.04 2.63 -0.48 0.55 2.01 -1.16 -0.41 115.64 115.74 2k2p s THR 61 Ca 0.08 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 2k2p s THR 61 Cb -0.03 -2.13 0.06 0.00 0.01 0.00 0.00 72.50 70.40 2k2p s THR 61 CO 0.09 0.50 0.51 -0.69 -0.69 0.00 0.00 174.62 174.34 2k2p s VAL 62 N 1.12 5.04 -0.17 3.82 1.01 0.30 -0.89 120.40 130.63 2k2p s VAL 62 Ca 0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2k2p s VAL 62 Cb -0.14 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2k2p s VAL 62 CO -0.05 -0.64 0.09 -0.69 0.00 0.00 0.00 175.10 173.81 2k2p s VAL 63 N 2.18 5.05 -0.10 2.92 1.01 -0.71 -1.94 120.40 128.82 2k2p s VAL 63 Ca 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2k2p s VAL 63 Cb -0.20 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2k2p s VAL 63 CO 0.10 0.48 0.03 0.68 0.00 0.00 0.00 175.10 176.40 2k2p s VAL 64 N 0.11 4.57 0.14 2.92 -7.23 -0.40 -1.07 120.40 119.44 2k2p s VAL 64 Ca 0.07 -0.15 0.10 0.00 -1.81 0.00 0.00 61.98 60.19 2k2p s VAL 64 Cb -0.12 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2k2p s VAL 64 CO 0.00 0.60 -0.22 -0.83 -0.31 0.00 0.00 175.10 174.34 2k2p s GLY 65 N -0.84 1.65 0.00 2.32 0.00 0.05 -1.41 107.32 109.08 2k2p s GLY 65 Ca 0.13 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2k2p s GLY 65 CO 0.03 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.28 2k2p n GLY 66 N 0.70 2.90 2.95 0.20 0.00 -0.35 -1.19 105.19 110.40 2k2p n GLY 66 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.53 0.72 -0.72 1.61 -7.23 -1.26 -4.99 120.40 106.00 2k2p s VAL 67 Ca 0.00 -0.25 0.09 0.00 -1.81 0.00 0.00 61.98 60.01 2k2p s VAL 67 Cb 0.00 -0.70 0.27 0.00 0.56 0.00 0.00 36.38 36.51 2k2p s VAL 67 CO 0.00 0.26 1.22 -0.24 -0.31 0.00 0.00 175.10 176.03 2k2p n SER 68 N 3.82 2.82 -4.57 4.85 2.88 -1.26 -3.11 113.62 119.05 2k2p n SER 68 Ca -0.23 -2.07 -0.28 0.00 -1.33 0.00 0.00 58.87 54.95 2k2p n SER 68 Cb 0.52 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 2k2p n SER 68 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k2p s ASP 69 N -1.07 5.23 0.06 -3.46 1.11 -1.26 -4.84 116.67 112.44 2k2p s ASP 69 Ca 0.20 -1.01 -0.34 0.00 0.18 0.00 0.00 52.55 51.58 2k2p s ASP 69 Cb 0.11 -2.57 -0.20 0.00 1.07 0.00 0.00 42.92 41.34 2k2p s ASP 69 CO 0.13 -2.72 1.56 0.00 1.18 0.00 0.00 175.17 175.32 2k2p h ALA 70 N 10.73 -1.09 -0.46 5.23 0.00 -1.99 -2.01 119.26 129.68 2k2p h ALA 70 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2k2p h ALA 70 Cb 0.99 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2k2p h ALA 70 CO 1.23 -1.10 0.02 0.00 0.00 0.00 0.00 179.25 179.40 2k2p h ALA 71 N -0.93 1.18 0.40 0.00 0.00 -1.99 -1.72 119.26 116.20 2k2p h ALA 71 Ca -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k2p h ALA 71 Cb 0.84 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k2p h ALA 71 CO 0.18 0.54 -0.19 0.45 0.00 0.00 0.00 179.25 180.23 2k2p h HIS 72 N 0.70 -0.50 -0.93 0.00 -0.00 -1.96 -2.42 115.15 110.04 2k2p h HIS 72 Ca 0.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2k2p h HIS 72 Cb 0.40 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 2k2p h HIS 72 CO 0.02 -0.19 0.55 0.82 -0.00 0.00 0.00 177.93 179.13 2k2p h ILE 73 N -0.81 1.26 -0.85 2.45 1.08 -1.31 -2.26 117.51 117.07 2k2p h ILE 73 Ca -0.06 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 2k2p h ILE 73 Cb 0.54 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 2k2p h ILE 73 CO 0.09 0.27 0.56 0.00 -0.69 0.00 0.00 178.15 178.38 2k2p h ALA 74 N 1.30 1.40 -0.25 1.87 0.00 -1.32 -2.35 119.26 119.90 2k2p h ALA 74 Ca 0.33 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2k2p h ALA 74 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2k2p h ALA 74 CO -0.06 0.56 -0.37 0.93 0.00 0.00 0.00 179.25 180.31 2k2p h GLU 75 N 1.15 0.58 0.02 0.00 4.39 -0.89 -2.49 114.58 117.34 2k2p h GLU 75 Ca 0.31 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2k2p h GLU 75 Cb -0.13 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2k2p h GLU 75 CO -0.07 0.86 -0.01 0.82 -1.16 0.00 0.00 179.01 179.46 2k2p h ILE 76 N 0.48 1.20 -0.04 3.13 2.04 -1.13 -2.14 117.51 121.06 2k2p h ILE 76 Ca 0.05 -0.67 -0.17 0.00 1.00 0.00 0.00 64.86 65.06 2k2p h ILE 76 Cb 0.87 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2k2p h ILE 76 CO 0.07 0.17 -0.72 -0.29 0.00 0.00 0.00 178.15 177.38 2k2p h ILE 77 N -0.31 1.43 0.00 -0.67 2.10 -1.51 -1.89 117.51 116.66 2k2p h ILE 77 Ca -0.00 -2.26 -0.13 0.00 1.08 0.00 0.00 64.86 63.55 2k2p h ILE 77 Cb 0.30 2.20 -0.02 0.00 -1.09 0.00 0.00 36.82 38.22 2k2p h ILE 77 CO 0.00 0.66 -0.61 0.00 -1.08 0.00 0.00 178.15 177.12 2k2p h THR 78 N 0.15 1.40 0.00 2.19 1.03 -1.36 -2.36 112.91 113.96 2k2p h THR 78 Ca -0.02 -2.13 -0.08 0.00 -0.01 0.00 0.00 66.41 64.17 2k2p h THR 78 Cb 1.28 2.16 -0.01 0.00 -1.07 0.00 0.00 68.15 70.51 2k2p h THR 78 CO 0.11 0.60 -0.38 0.00 -0.01 0.00 0.00 175.52 175.85 2k2p h ALA 79 N 1.39 1.27 0.00 0.00 0.00 -1.11 -2.31 119.26 118.50 2k2p h ALA 79 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k2p h ALA 79 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k2p h ALA 79 CO 0.08 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2k2p n ALA 80 N -2.42 2.17 -0.56 0.00 0.00 -0.73 -4.89 120.51 114.08 2k2p n ALA 80 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k2p n ALA 80 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.68 0.74 2.91 0.00 0.00 -0.87 -5.00 105.19 103.65 2k2p n GLY 81 Ca 0.11 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 1.88 -0.25 1.61 1.51 -0.93 -5.03 117.35 114.14 2k2p s TYR 82 Ca 0.00 -1.23 -0.29 0.00 -1.01 0.00 0.00 57.07 54.54 2k2p s TYR 82 Cb 0.00 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2k2p s TYR 82 CO 0.00 -0.66 1.60 -0.08 -1.11 0.00 0.00 175.55 175.30 2k2p s THR 83 N 1.57 3.72 -0.05 -0.71 -1.32 -1.26 -3.06 115.64 114.53 2k2p s THR 83 Ca -0.00 0.80 0.31 0.00 -1.21 0.00 0.00 61.69 61.59 2k2p s THR 83 Cb -0.16 -3.76 0.37 0.00 -1.51 0.00 0.00 72.50 67.44 2k2p s THR 83 CO -0.08 -0.35 1.91 1.55 -2.21 0.00 0.00 174.62 175.44 2k2p h PRO 84 N 10.83 0.00 -0.01 7.08 0.13 -1.86 -3.40 132.00 144.77 2k2p h PRO 84 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k2p h PRO 84 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k2p h PRO 84 CO 1.01 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.17