#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 1.72 -0.34 0.00 0.00 -1.26 -0.43 107.32 107.01 2k2p s GLY 23 Ca 0.00 -2.40 -0.23 0.00 0.00 0.00 0.00 44.72 42.09 2k2p s GLY 23 CO 0.00 1.23 0.76 -2.27 0.00 0.00 0.00 173.10 172.82 2k2p s LEU 24 N 0.87 4.12 -0.24 0.66 1.98 -0.67 -4.79 118.68 120.62 2k2p s LEU 24 Ca 0.12 0.45 -0.19 0.00 -2.89 0.00 0.00 54.13 51.62 2k2p s LEU 24 Cb -0.20 -3.01 -0.03 0.00 0.66 0.00 0.00 46.19 43.62 2k2p s LEU 24 CO -0.11 -0.66 0.56 -0.94 -1.89 0.00 0.00 176.35 173.31 2k2p s SER 25 N 1.74 6.54 -0.16 3.68 1.04 -1.26 -1.26 113.70 124.02 2k2p s SER 25 Ca 0.31 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.33 2k2p s SER 25 Cb -0.14 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 2k2p s SER 25 CO 0.15 -0.28 0.00 -0.36 0.98 0.00 0.00 173.24 173.73 2k2p s PHE 26 N 2.15 3.12 -0.25 5.02 0.40 -0.39 -4.96 117.98 123.07 2k2p s PHE 26 Ca 0.24 -0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 56.24 2k2p s PHE 26 Cb -0.16 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 2k2p s PHE 26 CO 0.09 0.06 0.59 -1.01 0.70 0.00 0.00 175.22 175.65 2k2p s HIS 27 N 0.32 3.29 -0.62 0.36 3.76 -1.26 -0.48 115.29 120.66 2k2p s HIS 27 Ca -0.01 0.78 -0.04 0.00 -0.15 0.00 0.00 55.06 55.64 2k2p s HIS 27 Cb -0.13 -2.79 0.16 0.00 1.11 0.00 0.00 32.58 30.92 2k2p s HIS 27 CO 0.02 -0.28 0.44 0.08 -0.85 0.00 0.00 174.74 174.15 2k2p s VAL 28 N 2.33 3.86 -0.25 -0.90 1.01 -0.52 -3.81 120.40 122.12 2k2p s VAL 28 Ca 0.25 -2.78 0.27 0.00 0.00 0.00 0.00 61.98 59.71 2k2p s VAL 28 Cb -0.16 -3.51 0.29 0.00 0.00 0.00 0.00 36.38 33.01 2k2p s VAL 28 CO 0.09 -0.87 1.81 -0.08 0.00 0.00 0.00 175.10 176.05 2k2p h GLU 29 N 7.25 0.00 -0.34 2.72 4.57 -1.92 -1.66 114.58 125.20 2k2p h GLU 29 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k2p h GLU 29 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2k2p h GLU 29 CO 0.72 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.15 2k2p n ASP 30 N -2.50 2.91 -4.55 1.04 5.75 -1.26 -4.92 116.55 113.02 2k2p n ASP 30 Ca 0.01 -1.94 -0.39 0.00 -0.01 0.00 0.00 54.79 52.46 2k2p n ASP 30 Cb 0.22 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2k2p n ASP 30 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2k2p s MET 31 N -1.00 2.86 -0.47 0.11 1.75 -0.63 -4.97 119.30 116.95 2k2p s MET 31 Ca 0.24 0.18 -0.14 0.00 -1.25 0.00 0.00 55.69 54.72 2k2p s MET 31 Cb 0.13 -4.39 0.08 0.00 2.84 0.00 0.00 34.83 33.49 2k2p s MET 31 CO 0.17 -2.54 0.38 -0.08 -0.65 0.00 0.00 175.02 172.30 2k2p s THR 32 N 7.76 5.04 0.03 10.11 -1.32 -1.26 -4.59 115.64 131.40 2k2p s THR 32 Ca 0.55 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2k2p s THR 32 Cb -0.10 -4.05 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 2k2p s THR 32 CO 0.16 -0.60 0.00 0.00 -2.21 0.00 0.00 174.62 171.98 2k2p n GLY 34 N -0.35 -0.43 0.35 0.00 0.00 -1.26 -2.15 105.19 101.35 2k2p n GLY 34 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2k2p n GLY 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k2p h HIS 35 N 0.00 1.03 0.00 1.61 -0.00 -1.99 -2.86 115.15 112.94 2k2p h HIS 35 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2k2p h HIS 35 Cb 0.04 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.14 2k2p h HIS 35 CO 0.00 0.17 -1.08 0.00 -0.00 0.00 0.00 177.93 177.02 2k2p h ALA 37 N 0.05 1.86 0.17 0.00 0.00 -1.49 -3.08 119.26 116.76 2k2p h ALA 37 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k2p h ALA 37 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k2p h ALA 37 CO 0.00 0.06 -0.13 0.78 0.00 0.00 0.00 179.25 179.95 2k2p h GLY 38 N 0.51 -0.31 1.95 0.00 0.00 -1.76 -1.27 103.07 102.19 2k2p h GLY 38 Ca 0.23 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.61 2k2p h GLY 38 CO -0.06 -0.14 -0.49 -0.24 0.00 0.00 0.00 176.54 175.61 2k2p h VAL 39 N -0.31 1.35 -0.10 4.60 3.04 -1.81 -2.13 116.25 120.89 2k2p h VAL 39 Ca -0.01 -1.68 -0.05 0.00 -1.01 0.00 0.00 66.70 63.96 2k2p h VAL 39 Cb 0.28 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2k2p h VAL 39 CO -0.01 0.48 -0.12 0.40 -1.01 0.00 0.00 177.57 177.31 2k2p h ILE 40 N 0.04 1.37 -0.53 3.17 2.04 -1.46 -1.20 117.51 120.94 2k2p h ILE 40 Ca -0.00 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 2k2p h ILE 40 Cb 0.88 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 2k2p h ILE 40 CO 0.07 0.37 0.30 0.11 0.00 0.00 0.00 178.15 179.00 2k2p h LYS 41 N -0.16 0.74 -0.48 2.37 1.57 -1.19 -2.44 116.57 116.97 2k2p h LYS 41 Ca 0.01 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2k2p h LYS 41 Cb 0.66 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2k2p h LYS 41 CO 0.03 0.56 0.07 0.78 -0.57 0.00 0.00 179.45 180.32 2k2p h GLY 42 N 0.71 0.81 0.90 3.86 0.00 -1.41 -2.02 103.07 105.92 2k2p h GLY 42 Ca 0.19 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2k2p h GLY 42 CO -0.03 0.45 -0.17 0.00 0.00 0.00 0.00 176.54 176.80 2k2p h ALA 43 N 1.36 -0.46 -0.07 3.60 0.00 -0.79 -2.73 119.26 120.16 2k2p h ALA 43 Ca 0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2k2p h ALA 43 Cb 0.34 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k2p h ALA 43 CO 0.01 -0.71 -0.27 0.82 0.00 0.00 0.00 179.25 179.10 2k2p h ILE 44 N -0.57 1.42 -0.53 0.00 2.04 -1.47 -3.15 117.51 115.26 2k2p h ILE 44 Ca -0.05 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.05 2k2p h ILE 44 Cb 0.42 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2k2p h ILE 44 CO 0.08 0.47 -0.10 -0.08 0.00 0.00 0.00 178.15 178.52 2k2p h GLU 45 N -0.18 0.98 0.00 2.37 4.81 -1.45 -0.11 114.58 120.99 2k2p h GLU 45 Ca -0.01 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2k2p h GLU 45 Cb 0.90 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2k2p h GLU 45 CO 0.06 1.02 -0.26 1.63 -0.73 0.00 0.00 179.01 180.73 2k2p n LYS 46 N -4.15 0.25 0.00 1.92 4.01 -1.03 -3.41 118.16 115.75 2k2p n LYS 46 Ca 0.02 0.14 -0.20 0.00 -0.51 0.00 0.00 58.31 57.76 2k2p n LYS 46 Cb 0.39 -1.73 -0.14 0.00 -0.51 0.00 0.00 35.03 33.04 2k2p n LYS 46 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2k2p n THR 47 N -2.13 1.77 -3.97 -0.18 -1.04 -1.12 -4.78 114.28 102.84 2k2p n THR 47 Ca 0.05 -0.67 -0.31 0.00 -2.04 0.00 0.00 64.05 61.08 2k2p n THR 47 Cb 0.42 -1.67 -0.15 0.00 -1.82 0.00 0.00 70.33 67.12 2k2p n THR 47 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k2p s VAL 48 N -2.56 2.27 -0.27 12.58 1.01 -0.07 -5.09 120.40 128.27 2k2p s VAL 48 Ca -0.21 -2.62 -0.29 0.00 0.00 0.00 0.00 61.98 58.86 2k2p s VAL 48 Cb 0.07 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2k2p s VAL 48 CO 0.78 -0.68 1.64 -2.16 0.00 0.00 0.00 175.10 174.67 2k2p s PRO 49 N 0.53 3.65 0.00 2.72 0.04 -1.22 -2.58 135.00 138.14 2k2p s PRO 49 Ca 0.13 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2k2p s PRO 49 Cb -0.21 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2k2p s PRO 49 CO -0.06 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.92 2k2p n GLY 50 N 4.91 1.53 3.58 0.56 0.00 -1.26 -5.08 105.19 109.43 2k2p n GLY 50 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.86 2.97 -0.72 4.61 0.00 -1.07 -4.49 121.76 121.20 2k2p s ALA 51 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 51.96 51.04 2k2p s ALA 51 Cb 0.00 -4.02 0.01 0.00 0.00 0.00 0.00 23.12 19.11 2k2p s ALA 51 CO 0.00 -2.65 1.48 0.00 0.00 0.00 0.00 175.76 174.59 2k2p s ALA 52 N 5.24 2.55 -0.18 0.00 0.00 -0.42 -4.66 121.76 124.28 2k2p s ALA 52 Ca 0.48 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 2k2p s ALA 52 Cb -0.09 -4.30 -0.02 0.00 0.00 0.00 0.00 23.12 18.71 2k2p s ALA 52 CO 0.27 -3.53 0.78 0.14 0.00 0.00 0.00 175.76 173.42 2k2p s VAL 53 N 6.80 4.91 -0.33 0.00 -7.23 -1.26 -1.20 120.40 122.09 2k2p s VAL 53 Ca 0.46 1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 62.16 2k2p s VAL 53 Cb -0.09 -4.09 0.11 0.00 0.56 0.00 0.00 36.38 32.87 2k2p s VAL 53 CO 0.15 0.05 0.13 -2.28 -0.31 0.00 0.00 175.10 172.83 2k2p s HIS 54 N 2.09 1.73 -0.33 2.82 2.46 0.08 -4.95 115.29 119.19 2k2p s HIS 54 Ca 0.36 -1.86 -0.11 0.00 0.47 0.00 0.00 55.06 53.92 2k2p s HIS 54 Cb -0.16 -1.72 -0.00 0.00 -0.13 0.00 0.00 32.58 30.56 2k2p s HIS 54 CO 0.12 -0.86 0.18 0.00 -2.47 0.00 0.00 174.74 171.71 2k2p s ALA 55 N 1.38 3.33 -0.22 1.58 0.00 -1.26 -0.90 121.76 125.67 2k2p s ALA 55 Ca 0.11 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 2k2p s ALA 55 Cb -0.19 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 2k2p s ALA 55 CO -0.20 -1.01 0.17 0.34 0.00 0.00 0.00 175.76 175.06 2k2p s ASP 56 N 1.63 6.18 0.21 0.00 -1.08 -0.80 -4.97 116.67 117.84 2k2p s ASP 56 Ca 0.04 0.19 -0.09 0.00 -0.52 0.00 0.00 52.55 52.18 2k2p s ASP 56 Cb -0.18 -2.11 0.17 0.00 -1.46 0.00 0.00 42.92 39.34 2k2p s ASP 56 CO 0.07 0.10 1.83 1.55 0.52 0.00 0.00 175.17 179.25 2k2p h PRO 57 N 7.16 1.12 0.08 4.34 0.13 -1.91 0.44 132.00 143.34 2k2p h PRO 57 Ca -0.39 -0.13 -0.25 0.00 -0.87 0.00 0.00 66.00 64.35 2k2p h PRO 57 Cb 1.16 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2k2p h PRO 57 CO 0.70 0.83 -1.11 0.00 -0.23 0.00 0.00 178.00 178.19 2k2p h ALA 58 N 1.23 0.21 0.00 -0.56 0.00 -1.95 -3.29 119.26 114.90 2k2p h ALA 58 Ca 0.28 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2k2p h ALA 58 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k2p h ALA 58 CO -0.04 0.90 -1.03 0.77 0.00 0.00 0.00 179.25 179.84 2k2p h SER 59 N 0.14 0.00 -5.97 0.00 0.02 -1.94 -3.48 113.55 102.32 2k2p h SER 59 Ca -0.11 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.42 2k2p h SER 59 Cb 1.80 0.00 0.09 0.00 0.14 0.00 0.00 62.40 64.43 2k2p h SER 59 CO 0.19 0.21 -0.71 0.54 -1.14 0.00 0.00 176.83 175.91 2k2p n ARG 60 N -2.80 -7.15 -3.92 3.45 3.00 0.14 -4.96 116.66 104.43 2k2p n ARG 60 Ca -0.03 0.76 -0.24 0.00 -0.01 0.00 0.00 57.85 58.34 2k2p n ARG 60 Cb 0.65 -5.76 -0.17 0.00 0.00 0.00 0.00 32.46 27.18 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 -3.33 0.68 -0.49 0.55 2.01 -1.20 -1.43 115.64 112.43 2k2p s THR 61 Ca 0.55 -0.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 2k2p s THR 61 Cb -0.25 -0.75 0.08 0.00 0.01 0.00 0.00 72.50 71.58 2k2p s THR 61 CO 0.76 0.30 0.45 -0.69 -0.69 0.00 0.00 174.62 174.75 2k2p s VAL 62 N 1.66 5.16 -0.14 3.82 1.01 0.36 -1.91 120.40 130.38 2k2p s VAL 62 Ca 0.02 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 2k2p s VAL 62 Cb -0.13 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2k2p s VAL 62 CO -0.05 -0.65 0.32 -0.69 0.00 0.00 0.00 175.10 174.03 2k2p s VAL 63 N 1.83 5.27 -0.32 2.92 1.01 -0.08 -1.26 120.40 129.77 2k2p s VAL 63 Ca 0.06 0.62 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 2k2p s VAL 63 Cb -0.24 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2k2p s VAL 63 CO 0.07 0.41 0.06 0.68 0.00 0.00 0.00 175.10 176.32 2k2p s VAL 64 N 0.29 3.47 0.25 2.92 -7.23 -0.39 -0.74 120.40 118.97 2k2p s VAL 64 Ca 0.18 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 2k2p s VAL 64 Cb -0.14 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 33.75 2k2p s VAL 64 CO 0.06 -0.15 0.59 -0.83 -0.31 0.00 0.00 175.10 174.45 2k2p s GLY 65 N 1.35 2.30 0.00 2.32 0.00 -0.34 -1.66 107.32 111.28 2k2p s GLY 65 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2k2p s GLY 65 CO 0.01 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.68 2k2p n GLY 66 N -0.15 3.16 3.28 0.20 0.00 0.42 -1.30 105.19 110.79 2k2p n GLY 66 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.63 1.78 0.00 1.61 -7.23 -1.13 -4.98 120.40 108.83 2k2p s VAL 67 Ca 0.00 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2k2p s VAL 67 Cb 0.00 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.38 2k2p s VAL 67 CO 0.00 0.18 0.08 -1.20 -0.31 0.00 0.00 175.10 173.85 2k2p n SER 68 N 1.65 0.17 -4.57 4.85 7.64 -1.26 -3.63 113.62 118.47 2k2p n SER 68 Ca -0.18 -0.50 -0.36 0.00 1.01 0.00 0.00 58.87 58.84 2k2p n SER 68 Cb 0.53 0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 64.03 2k2p n SER 68 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k2p s ASP 69 N -0.33 6.04 0.22 6.43 -4.77 -1.26 -4.83 116.67 118.18 2k2p s ASP 69 Ca 0.00 -1.72 -0.08 0.00 -3.30 0.00 0.00 52.55 47.45 2k2p s ASP 69 Cb 0.00 -2.58 0.18 0.00 -1.09 0.00 0.00 42.92 39.44 2k2p s ASP 69 CO 0.00 -1.97 1.84 0.00 0.70 0.00 0.00 175.17 175.73 2k2p h ALA 70 N 9.26 1.09 -0.36 2.11 0.00 -1.99 -2.88 119.26 126.48 2k2p h ALA 70 Ca 0.27 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2k2p h ALA 70 Cb 0.94 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2k2p h ALA 70 CO 1.36 0.61 0.20 0.00 0.00 0.00 0.00 179.25 181.41 2k2p h ALA 71 N 1.24 0.44 0.05 0.00 0.00 -1.99 0.29 119.26 119.30 2k2p h ALA 71 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2k2p h ALA 71 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k2p h ALA 71 CO -0.04 -0.16 -0.02 1.25 0.00 0.00 0.00 179.25 180.27 2k2p h HIS 72 N 0.40 -0.06 -0.75 0.00 6.17 -1.96 -2.49 115.15 116.46 2k2p h HIS 72 Ca 0.15 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.23 2k2p h HIS 72 Cb 0.03 0.02 -0.04 0.00 2.52 0.00 0.00 27.41 29.94 2k2p h HIS 72 CO -0.08 0.28 0.49 0.82 0.71 0.00 0.00 177.93 180.15 2k2p h ILE 73 N -0.42 1.18 -0.61 6.26 1.08 -1.45 -2.41 117.51 121.15 2k2p h ILE 73 Ca -0.01 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.07 2k2p h ILE 73 Cb 0.37 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 2k2p h ILE 73 CO 0.01 0.18 0.19 0.00 -0.69 0.00 0.00 178.15 177.85 2k2p h ALA 74 N 1.54 1.19 -0.40 1.87 0.00 -0.84 -1.99 119.26 120.62 2k2p h ALA 74 Ca 0.28 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2k2p h ALA 74 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2k2p h ALA 74 CO -0.06 0.57 -0.03 0.93 0.00 0.00 0.00 179.25 180.65 2k2p h GLU 75 N 0.90 0.66 -0.03 0.00 4.39 -0.97 -1.83 114.58 117.70 2k2p h GLU 75 Ca 0.20 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2k2p h GLU 75 Cb 0.26 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k2p h GLU 75 CO -0.01 0.71 -0.01 0.82 -1.16 0.00 0.00 179.01 179.36 2k2p h ILE 76 N 0.62 1.32 -0.15 3.13 2.04 -1.18 -2.09 117.51 121.19 2k2p h ILE 76 Ca 0.12 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 64.86 2k2p h ILE 76 Cb 0.44 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2k2p h ILE 76 CO 0.02 0.26 -0.57 -0.29 0.00 0.00 0.00 178.15 177.57 2k2p h ILE 77 N -0.33 1.34 0.00 -0.67 2.10 -1.39 -2.39 117.51 116.17 2k2p h ILE 77 Ca 0.01 -1.84 -0.11 0.00 1.08 0.00 0.00 64.86 64.00 2k2p h ILE 77 Cb 0.42 1.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 2k2p h ILE 77 CO 0.00 0.56 -0.52 0.00 -1.08 0.00 0.00 178.15 177.12 2k2p h THR 78 N 0.37 1.26 0.00 2.19 1.03 -1.23 -2.35 112.91 114.17 2k2p h THR 78 Ca 0.00 -1.83 -0.06 0.00 -0.01 0.00 0.00 66.41 64.51 2k2p h THR 78 Cb 1.10 2.02 -0.01 0.00 -1.07 0.00 0.00 68.15 70.19 2k2p h THR 78 CO 0.10 0.50 -0.30 0.00 -0.01 0.00 0.00 175.52 175.82 2k2p h ALA 79 N 1.48 1.19 0.00 0.00 0.00 -1.10 -2.07 119.26 118.76 2k2p h ALA 79 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k2p h ALA 79 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k2p h ALA 79 CO 0.07 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2k2p n ALA 80 N -2.34 2.32 -0.27 0.00 0.00 -0.91 -4.89 120.51 114.43 2k2p n ALA 80 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k2p n ALA 80 Cb 0.40 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.69 0.85 2.85 0.00 0.00 -0.78 -5.00 105.19 103.80 2k2p n GLY 81 Ca 0.15 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 2.10 -0.10 1.61 2.02 -1.09 -5.03 117.35 114.88 2k2p s TYR 82 Ca 0.00 -1.74 -0.30 0.00 -0.37 0.00 0.00 57.07 54.67 2k2p s TYR 82 Cb 0.00 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2k2p s TYR 82 CO 0.00 -0.80 1.17 -0.08 -1.57 0.00 0.00 175.55 174.28 2k2p s THR 83 N 1.49 4.37 0.91 -0.71 -1.32 -1.26 -3.00 115.64 116.11 2k2p s THR 83 Ca 0.02 1.67 -0.14 0.00 -1.21 0.00 0.00 61.69 62.03 2k2p s THR 83 Cb -0.18 -4.08 0.15 0.00 -1.51 0.00 0.00 72.50 66.88 2k2p s THR 83 CO -0.12 -0.04 1.24 -2.16 -2.21 0.00 0.00 174.62 171.33 2k2p s PRO 84 N 2.49 1.14 0.00 7.08 0.04 -1.26 -4.84 135.00 139.65 2k2p s PRO 84 Ca 0.54 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2k2p s PRO 84 Cb -0.22 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2k2p s PRO 84 CO 0.19 -2.12 0.33 -1.91 0.04 0.00 0.00 177.00 173.53