#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 -0.50 3.57 0.00 0.00 -1.26 -4.31 105.19 102.69 2k2p n GLY 23 Ca 0.00 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2k2p n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k2p s LEU 24 N 0.00 4.29 -0.18 0.99 1.43 -0.49 -4.86 118.68 119.85 2k2p s LEU 24 Ca 0.00 0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 2k2p s LEU 24 Cb 0.00 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2k2p s LEU 24 CO 0.00 -0.53 0.87 -0.55 0.23 0.00 0.00 176.35 176.38 2k2p s SER 25 N 1.76 6.99 -0.31 2.29 0.15 -1.26 -1.41 113.70 121.90 2k2p s SER 25 Ca 0.22 1.22 0.02 0.00 0.70 0.00 0.00 55.95 58.10 2k2p s SER 25 Cb -0.15 -2.47 0.09 0.00 -1.71 0.00 0.00 66.02 61.78 2k2p s SER 25 CO 0.14 -0.45 0.05 -0.36 1.20 0.00 0.00 173.24 173.83 2k2p s PHE 26 N 2.32 2.78 -0.60 3.44 0.08 -0.58 -4.99 117.98 120.43 2k2p s PHE 26 Ca 0.40 -2.34 -0.19 0.00 0.12 0.00 0.00 56.93 54.91 2k2p s PHE 26 Cb -0.16 -2.27 0.10 0.00 -0.57 0.00 0.00 43.02 40.11 2k2p s PHE 26 CO 0.12 -0.90 0.74 -3.38 -0.10 0.00 0.00 175.22 171.70 2k2p s HIS 27 N 1.25 2.95 -0.57 0.36 -3.43 -1.25 -1.14 115.29 113.46 2k2p s HIS 27 Ca 0.08 -0.90 -0.27 0.00 -0.80 0.00 0.00 55.06 53.18 2k2p s HIS 27 Cb -0.18 -4.04 0.03 0.00 -1.43 0.00 0.00 32.58 26.96 2k2p s HIS 27 CO -0.15 -1.34 1.10 0.08 -2.00 0.00 0.00 174.74 172.44 2k2p s VAL 28 N 2.87 4.15 -1.23 -5.38 1.01 -0.63 -4.53 120.40 116.68 2k2p s VAL 28 Ca 0.13 0.68 0.29 0.00 0.00 0.00 0.00 61.98 63.08 2k2p s VAL 28 Cb -0.23 -4.66 0.38 0.00 0.00 0.00 0.00 36.38 31.88 2k2p s VAL 28 CO 0.07 -1.26 1.98 -0.62 0.00 0.00 0.00 175.10 175.27 2k2p n GLU 29 N 8.08 0.22 -0.38 2.72 1.02 -1.26 -2.31 120.64 128.73 2k2p n GLU 29 Ca 0.06 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 2k2p n GLU 29 Cb 0.48 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.67 2k2p n GLU 29 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k2p n ASP 30 N -1.39 3.40 -4.77 1.62 9.92 -1.26 -5.00 116.55 119.07 2k2p n ASP 30 Ca 0.11 -2.16 -0.38 0.00 -0.53 0.00 0.00 54.79 51.82 2k2p n ASP 30 Cb 0.28 -0.44 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 2k2p n ASP 30 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2k2p s MET 31 N -1.50 4.14 0.29 -1.24 1.75 -0.98 -5.07 119.30 116.70 2k2p s MET 31 Ca 0.39 1.84 0.06 0.00 -1.25 0.00 0.00 55.69 56.73 2k2p s MET 31 Cb 0.22 -2.75 -0.06 0.00 2.84 0.00 0.00 34.83 35.09 2k2p s MET 31 CO 0.23 -0.25 -0.04 0.95 -0.65 0.00 0.00 175.02 175.27 2k2p s THR 32 N -1.39 1.58 1.17 10.11 -4.23 -1.26 -4.98 115.64 116.64 2k2p s THR 32 Ca 0.55 -2.10 -0.17 0.00 -1.18 0.00 0.00 61.69 58.80 2k2p s THR 32 Cb -0.31 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.26 2k2p s THR 32 CO 0.39 -0.24 0.57 0.00 -0.54 0.00 0.00 174.62 174.80 2k2p h GLY 34 N -3.09 0.00 0.60 0.00 0.00 -1.99 -0.68 103.07 97.91 2k2p h GLY 34 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2k2p h GLY 34 CO 0.17 0.00 -0.27 0.84 0.00 0.00 0.00 176.54 177.28 2k2p h HIS 35 N 0.00 -0.72 0.00 5.60 -0.00 -2.00 -1.54 115.15 116.49 2k2p h HIS 35 Ca 0.50 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.85 2k2p h HIS 35 Cb 2.57 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 30.27 2k2p h HIS 35 CO 0.00 -0.38 -1.74 0.00 -0.00 0.00 0.00 177.93 175.81 2k2p h ALA 37 N 1.91 1.20 0.00 0.00 0.00 -1.21 -2.35 119.26 118.81 2k2p h ALA 37 Ca -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k2p h ALA 37 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k2p h ALA 37 CO 0.00 0.53 -0.17 0.78 0.00 0.00 0.00 179.25 180.39 2k2p h GLY 38 N 0.94 0.00 1.28 0.00 0.00 -1.44 -1.70 103.07 102.14 2k2p h GLY 38 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.23 2k2p h GLY 38 CO 0.02 0.00 -0.88 -2.08 0.00 0.00 0.00 176.54 173.60 2k2p h VAL 39 N 0.00 1.30 -0.20 4.60 2.07 -1.60 -0.06 116.25 122.36 2k2p h VAL 39 Ca -0.00 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 2k2p h VAL 39 Cb 0.48 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2k2p h VAL 39 CO 0.02 0.66 0.06 0.40 0.02 0.00 0.00 177.57 178.74 2k2p h ILE 40 N 0.43 1.19 -0.25 4.57 2.04 -1.19 -1.46 117.51 122.83 2k2p h ILE 40 Ca -0.08 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.21 2k2p h ILE 40 Cb 1.51 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2k2p h ILE 40 CO 0.17 0.18 0.14 0.11 0.00 0.00 0.00 178.15 178.76 2k2p h LYS 41 N 0.14 0.28 -0.22 2.37 1.57 -1.37 -3.08 116.57 116.26 2k2p h LYS 41 Ca 0.06 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2k2p h LYS 41 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2k2p h LYS 41 CO -0.00 0.19 -0.08 0.78 -0.57 0.00 0.00 179.45 179.76 2k2p h GLY 42 N 0.29 0.38 0.98 3.86 0.00 -0.88 -0.36 103.07 107.35 2k2p h GLY 42 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2k2p h GLY 42 CO -0.05 0.21 -0.22 0.00 0.00 0.00 0.00 176.54 176.48 2k2p h ALA 43 N 1.58 -0.62 -0.09 3.60 0.00 -1.18 -2.78 119.26 119.78 2k2p h ALA 43 Ca 0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2k2p h ALA 43 Cb 0.36 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k2p h ALA 43 CO 0.02 -0.83 -0.29 0.82 0.00 0.00 0.00 179.25 178.96 2k2p h ILE 44 N -0.64 1.40 -0.66 0.00 2.04 -1.49 -3.10 117.51 115.07 2k2p h ILE 44 Ca -0.06 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.10 2k2p h ILE 44 Cb 0.49 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2k2p h ILE 44 CO 0.10 0.48 0.19 -0.08 0.00 0.00 0.00 178.15 178.84 2k2p h GLU 45 N -0.10 1.03 0.01 2.37 4.81 -1.14 -0.96 114.58 120.60 2k2p h GLU 45 Ca -0.01 -0.23 -0.22 0.00 -0.13 0.00 0.00 59.36 58.77 2k2p h GLU 45 Cb 0.92 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k2p h GLU 45 CO 0.06 0.91 -0.94 0.87 -0.73 0.00 0.00 179.01 179.18 2k2p h LYS 46 N 0.96 0.33 -0.08 1.92 6.56 -1.62 -3.15 116.57 121.50 2k2p h LYS 46 Ca 0.21 -0.37 -0.09 0.00 -1.06 0.00 0.00 60.65 59.34 2k2p h LYS 46 Cb 0.32 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2k2p h LYS 46 CO -0.00 1.06 -0.30 1.15 -2.06 0.00 0.00 179.45 179.30 2k2p h THR 47 N 0.18 1.42 -3.49 -0.16 2.02 -1.43 -3.39 112.91 108.06 2k2p h THR 47 Ca -0.07 -1.68 -0.65 0.00 0.77 0.00 0.00 66.41 64.78 2k2p h THR 47 Cb 1.58 2.27 -0.41 0.00 -1.74 0.00 0.00 68.15 69.86 2k2p h THR 47 CO 0.16 0.48 -0.67 -0.69 0.37 0.00 0.00 175.52 175.17 2k2p s VAL 48 N -3.72 2.40 0.06 3.16 1.01 -0.38 -5.10 120.40 117.82 2k2p s VAL 48 Ca -0.14 -2.87 -0.30 0.00 0.00 0.00 0.00 61.98 58.66 2k2p s VAL 48 Cb 0.04 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 2k2p s VAL 48 CO 0.77 -0.72 1.70 -2.84 0.00 0.00 0.00 175.10 174.02 2k2p s PRO 49 N 0.24 4.18 0.00 2.72 0.02 -1.19 -2.73 135.00 138.24 2k2p s PRO 49 Ca 0.14 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2k2p s PRO 49 Cb -0.23 -3.71 0.00 0.00 0.02 0.00 0.00 34.50 30.58 2k2p s PRO 49 CO -0.04 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 2k2p n GLY 50 N 4.10 2.19 3.58 0.52 0.00 -1.26 -5.08 105.19 109.24 2k2p n GLY 50 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.99 2.97 -0.78 4.61 0.00 -1.11 -4.41 121.76 121.06 2k2p s ALA 51 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 2k2p s ALA 51 Cb 0.00 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 19.10 2k2p s ALA 51 CO 0.00 -2.72 1.26 0.00 0.00 0.00 0.00 175.76 174.30 2k2p s ALA 52 N 5.09 2.81 -0.33 0.00 0.00 -0.28 -4.66 121.76 124.38 2k2p s ALA 52 Ca 0.43 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 2k2p s ALA 52 Cb -0.08 -4.24 0.01 0.00 0.00 0.00 0.00 23.12 18.81 2k2p s ALA 52 CO 0.25 -3.26 0.87 0.14 0.00 0.00 0.00 175.76 173.75 2k2p s VAL 53 N 5.32 4.69 -0.43 0.00 -7.23 -1.26 -1.35 120.40 120.14 2k2p s VAL 53 Ca 0.35 1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 61.72 2k2p s VAL 53 Cb -0.08 -4.24 0.12 0.00 0.56 0.00 0.00 36.38 32.74 2k2p s VAL 53 CO 0.10 -0.37 0.24 -2.28 -0.31 0.00 0.00 175.10 172.47 2k2p s HIS 54 N 3.20 3.56 -0.09 2.82 2.46 -0.21 -4.93 115.29 122.10 2k2p s HIS 54 Ca 0.36 -2.40 -0.26 0.00 0.47 0.00 0.00 55.06 53.23 2k2p s HIS 54 Cb -0.13 -3.25 -0.03 0.00 -0.13 0.00 0.00 32.58 29.04 2k2p s HIS 54 CO 0.15 -0.96 0.81 0.00 -2.47 0.00 0.00 174.74 172.26 2k2p s ALA 55 N 1.06 3.36 -0.35 1.58 0.00 -1.26 -1.38 121.76 124.78 2k2p s ALA 55 Ca 0.09 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 2k2p s ALA 55 Cb -0.23 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.81 2k2p s ALA 55 CO -0.04 -0.33 0.10 0.34 0.00 0.00 0.00 175.76 175.84 2k2p s ASP 56 N 0.97 5.22 0.36 0.00 -1.08 0.11 -4.98 116.67 117.28 2k2p s ASP 56 Ca 0.41 -1.33 0.06 0.00 -0.52 0.00 0.00 52.55 51.17 2k2p s ASP 56 Cb -0.18 -1.83 0.68 0.00 -1.46 0.00 0.00 42.92 40.13 2k2p s ASP 56 CO 0.18 -0.36 1.89 1.55 0.52 0.00 0.00 175.17 178.96 2k2p h PRO 57 N 8.15 0.41 0.11 4.34 0.13 -1.92 0.17 132.00 143.40 2k2p h PRO 57 Ca -0.21 -0.09 -0.30 0.00 -0.87 0.00 0.00 66.00 64.53 2k2p h PRO 57 Cb 1.07 -0.06 0.03 0.00 0.13 0.00 0.00 31.00 32.17 2k2p h PRO 57 CO 0.61 0.48 -1.24 0.00 -0.23 0.00 0.00 178.00 177.62 2k2p h ALA 58 N 1.56 0.01 0.00 -0.56 0.00 -1.98 -3.29 119.26 115.00 2k2p h ALA 58 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k2p h ALA 58 Cb 0.34 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k2p h ALA 58 CO 0.01 0.70 -0.96 0.45 0.00 0.00 0.00 179.25 179.45 2k2p n SER 59 N -3.78 0.63 -3.03 0.00 2.88 -1.22 -4.99 113.62 104.10 2k2p n SER 59 Ca -0.13 -0.11 -0.17 0.00 -1.33 0.00 0.00 58.87 57.13 2k2p n SER 59 Cb 0.98 0.67 0.07 0.00 -0.75 0.00 0.00 64.21 65.18 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 -2.03 -6.00 -3.87 -1.46 3.00 0.56 -4.95 116.66 101.91 2k2p n ARG 60 Ca 0.02 0.69 -0.24 0.00 -0.01 0.00 0.00 57.85 58.31 2k2p n ARG 60 Cb 0.45 -5.28 -0.17 0.00 0.00 0.00 0.00 32.46 27.45 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 -3.28 0.67 -0.40 0.55 2.01 -0.95 -1.60 115.64 112.65 2k2p s THR 61 Ca 0.23 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 2k2p s THR 61 Cb -0.10 -0.75 0.04 0.00 0.01 0.00 0.00 72.50 71.70 2k2p s THR 61 CO 0.60 0.30 0.25 -0.69 -0.69 0.00 0.00 174.62 174.39 2k2p s VAL 62 N 1.76 4.61 -0.25 3.82 1.01 -0.29 -0.71 120.40 130.36 2k2p s VAL 62 Ca 0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2k2p s VAL 62 Cb -0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2k2p s VAL 62 CO -0.06 -0.35 0.10 -0.69 0.00 0.00 0.00 175.10 174.11 2k2p s VAL 63 N 1.54 4.66 -0.34 2.92 1.01 -0.48 -1.52 120.40 128.19 2k2p s VAL 63 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2k2p s VAL 63 Cb -0.21 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2k2p s VAL 63 CO 0.06 0.33 0.20 0.68 0.00 0.00 0.00 175.10 176.37 2k2p s VAL 64 N 1.46 4.90 0.36 2.92 -7.23 -0.50 -1.04 120.40 121.26 2k2p s VAL 64 Ca 0.06 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 2k2p s VAL 64 Cb -0.15 -3.55 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2k2p s VAL 64 CO 0.05 -0.03 0.57 -0.83 -0.31 0.00 0.00 175.10 174.56 2k2p s GLY 65 N 1.65 1.37 0.00 2.32 0.00 -0.45 -1.40 107.32 110.80 2k2p s GLY 65 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2k2p s GLY 65 CO 0.08 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.97 2k2p n GLY 66 N -1.84 2.62 3.18 0.20 0.00 -1.26 -1.13 105.19 106.96 2k2p n GLY 66 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.57 1.41 -0.89 1.61 -7.23 -1.26 -4.90 120.40 106.56 2k2p s VAL 67 Ca 0.00 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.34 2k2p s VAL 67 Cb 0.00 -1.20 0.12 0.00 0.56 0.00 0.00 36.38 35.86 2k2p s VAL 67 CO 0.00 0.28 0.91 -1.20 -0.31 0.00 0.00 175.10 174.78 2k2p n SER 68 N 2.32 2.03 -4.49 4.85 7.64 -1.26 -4.48 113.62 120.24 2k2p n SER 68 Ca -0.16 -1.58 -0.43 0.00 1.01 0.00 0.00 58.87 57.71 2k2p n SER 68 Cb 0.54 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2k2p n SER 68 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k2p n ASP 69 N 0.38 4.94 -0.18 6.43 9.92 -1.26 -4.81 116.55 131.97 2k2p n ASP 69 Ca 0.06 -2.93 -0.04 0.00 -0.53 0.00 0.00 54.79 51.35 2k2p n ASP 69 Cb 0.27 -1.70 0.15 0.00 -0.64 0.00 0.00 41.12 39.20 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 7.33 1.15 -0.19 2.24 0.00 -2.00 -2.51 119.26 125.29 2k2p h ALA 70 Ca 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k2p h ALA 70 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k2p h ALA 70 CO 1.44 0.58 0.02 0.00 0.00 0.00 0.00 179.25 181.30 2k2p h ALA 71 N 1.28 0.25 0.18 0.00 0.00 -1.99 -1.97 119.26 117.01 2k2p h ALA 71 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k2p h ALA 71 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k2p h ALA 71 CO -0.00 -0.07 -0.16 0.45 0.00 0.00 0.00 179.25 179.46 2k2p h HIS 72 N 0.10 -0.42 -0.78 0.00 -0.00 -1.93 -1.86 115.15 110.26 2k2p h HIS 72 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 2k2p h HIS 72 Cb 0.33 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.86 2k2p h HIS 72 CO 0.02 -0.25 0.39 0.82 -0.00 0.00 0.00 177.93 178.92 2k2p h ILE 73 N -0.36 1.24 -0.96 2.45 1.08 -1.51 -2.46 117.51 116.98 2k2p h ILE 73 Ca -0.00 -0.66 0.01 0.00 -0.39 0.00 0.00 64.86 63.82 2k2p h ILE 73 Cb 0.33 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 2k2p h ILE 73 CO -0.03 0.28 0.64 0.00 -0.69 0.00 0.00 178.15 178.35 2k2p h ALA 74 N 1.32 1.23 -0.38 1.87 0.00 -0.98 -2.13 119.26 120.19 2k2p h ALA 74 Ca 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2k2p h ALA 74 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2k2p h ALA 74 CO -0.04 0.60 0.21 0.93 0.00 0.00 0.00 179.25 180.96 2k2p h GLU 75 N 1.30 0.53 0.31 0.00 4.39 -0.87 -2.67 114.58 117.56 2k2p h GLU 75 Ca 0.36 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2k2p h GLU 75 Cb -0.13 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 2k2p h GLU 75 CO -0.08 0.43 -0.15 0.82 -1.16 0.00 0.00 179.01 178.87 2k2p h ILE 76 N 0.49 0.72 -0.40 3.13 2.04 -1.27 -2.09 117.51 120.13 2k2p h ILE 76 Ca 0.13 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 2k2p h ILE 76 Cb 0.05 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2k2p h ILE 76 CO -0.02 0.07 -0.21 -0.29 0.00 0.00 0.00 178.15 177.69 2k2p h ILE 77 N -0.60 1.27 0.00 -0.67 2.10 -1.44 -1.98 117.51 116.19 2k2p h ILE 77 Ca -0.04 -1.33 -0.15 0.00 1.08 0.00 0.00 64.86 64.42 2k2p h ILE 77 Cb 0.44 1.19 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 2k2p h ILE 77 CO 0.07 0.45 -0.69 0.00 -1.08 0.00 0.00 178.15 176.89 2k2p h THR 78 N 0.69 1.42 0.00 2.19 1.03 -1.40 -2.26 112.91 114.57 2k2p h THR 78 Ca 0.10 -2.44 -0.08 0.00 -0.01 0.00 0.00 66.41 63.98 2k2p h THR 78 Cb 0.73 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 70.14 2k2p h THR 78 CO 0.06 0.68 -0.38 0.00 -0.01 0.00 0.00 175.52 175.87 2k2p h ALA 79 N 1.31 1.35 0.00 0.00 0.00 -1.00 -1.73 119.26 119.19 2k2p h ALA 79 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k2p h ALA 79 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k2p h ALA 79 CO 0.09 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2k2p n ALA 80 N -2.46 2.45 0.00 0.00 0.00 -0.78 -4.89 120.51 114.84 2k2p n ALA 80 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k2p n ALA 80 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.82 0.88 3.47 0.00 0.00 -0.65 -5.03 105.19 104.68 2k2p n GLY 81 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 2.93 -0.42 1.61 2.02 -0.87 -4.96 117.35 115.42 2k2p s TYR 82 Ca 0.00 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 2k2p s TYR 82 Cb 0.00 -3.81 0.02 0.00 -0.40 0.00 0.00 41.96 37.76 2k2p s TYR 82 CO 0.00 -1.21 1.29 0.99 -1.57 0.00 0.00 175.55 175.05 2k2p s THR 83 N 3.20 4.07 -0.50 -0.71 2.01 -1.26 -3.08 115.64 119.36 2k2p s THR 83 Ca 0.21 1.11 0.24 0.00 0.31 0.00 0.00 61.69 63.55 2k2p s THR 83 Cb -0.17 -4.35 0.22 0.00 0.01 0.00 0.00 72.50 68.20 2k2p s THR 83 CO 0.14 -0.81 1.50 1.55 -0.69 0.00 0.00 174.62 176.31 2k2p h PRO 84 N 9.89 0.00 0.00 4.92 0.13 -1.91 -3.39 132.00 141.64 2k2p h PRO 84 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k2p h PRO 84 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k2p h PRO 84 CO 1.09 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.95