#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 1.47 -0.41 0.00 0.00 -1.26 -0.80 107.32 106.33 2k2p s GLY 23 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 44.72 42.87 2k2p s GLY 23 CO 0.00 0.88 0.57 1.08 0.00 0.00 0.00 173.10 175.63 2k2p s LEU 24 N 1.25 4.52 -0.34 0.66 1.43 -0.52 -4.85 118.68 120.84 2k2p s LEU 24 Ca -0.03 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 2k2p s LEU 24 Cb -0.19 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 2k2p s LEU 24 CO -0.07 -0.66 0.47 -0.44 0.23 0.00 0.00 176.35 175.88 2k2p s SER 25 N 1.90 6.30 -0.28 2.29 0.01 -1.26 -1.28 113.70 121.37 2k2p s SER 25 Ca 0.20 0.00 -0.07 0.00 1.31 0.00 0.00 55.95 57.39 2k2p s SER 25 Cb -0.15 -2.25 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 2k2p s SER 25 CO 0.16 -0.42 0.07 -0.36 0.41 0.00 0.00 173.24 173.11 2k2p s PHE 26 N 2.29 3.12 -0.99 2.43 0.40 -0.74 -4.98 117.98 119.51 2k2p s PHE 26 Ca 0.17 -0.83 -0.22 0.00 -0.60 0.00 0.00 56.93 55.45 2k2p s PHE 26 Cb -0.16 -2.24 0.07 0.00 0.51 0.00 0.00 43.02 41.20 2k2p s PHE 26 CO 0.12 -0.52 1.37 -1.01 0.70 0.00 0.00 175.22 175.88 2k2p s HIS 27 N 1.53 2.65 -0.90 0.36 3.76 -1.26 -1.49 115.29 119.94 2k2p s HIS 27 Ca 0.04 -0.94 -0.22 0.00 -0.15 0.00 0.00 55.06 53.79 2k2p s HIS 27 Cb -0.16 -4.60 0.09 0.00 1.11 0.00 0.00 32.58 29.01 2k2p s HIS 27 CO 0.02 -1.84 1.22 0.08 -0.85 0.00 0.00 174.74 173.37 2k2p s VAL 28 N 4.48 4.30 0.09 -0.90 1.01 -0.11 -3.62 120.40 125.67 2k2p s VAL 28 Ca 0.43 -0.93 0.34 0.00 0.00 0.00 0.00 61.98 61.81 2k2p s VAL 28 Cb -0.01 -4.87 0.38 0.00 0.00 0.00 0.00 36.38 31.88 2k2p s VAL 28 CO -0.09 -1.67 1.99 -0.33 0.00 0.00 0.00 175.10 175.00 2k2p h GLU 29 N 9.38 0.00 -0.00 2.72 5.08 -1.44 -1.96 114.58 128.35 2k2p h GLU 29 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k2p h GLU 29 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2k2p h GLU 29 CO 1.24 0.00 -0.37 -0.25 -1.00 0.00 0.00 179.01 178.63 2k2p n ASP 30 N -2.97 0.63 -4.69 1.42 9.92 -1.26 -4.94 116.55 114.65 2k2p n ASP 30 Ca 0.00 -0.43 -0.42 0.00 -0.53 0.00 0.00 54.79 53.41 2k2p n ASP 30 Cb 0.26 0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 40.87 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 -2.81 4.38 -0.51 -1.24 1.75 -0.74 -5.01 119.30 115.12 2k2p s MET 31 Ca 0.16 1.70 -0.07 0.00 -1.25 0.00 0.00 55.69 56.23 2k2p s MET 31 Cb 0.18 -3.51 0.13 0.00 2.84 0.00 0.00 34.83 34.48 2k2p s MET 31 CO 0.62 -0.39 0.36 -0.08 -0.65 0.00 0.00 175.02 174.88 2k2p s THR 32 N 1.91 4.04 0.08 10.11 -1.32 -1.26 -4.89 115.64 124.31 2k2p s THR 32 Ca 0.57 -2.07 -0.20 0.00 -1.21 0.00 0.00 61.69 58.78 2k2p s THR 32 Cb -0.26 -3.66 -0.07 0.00 -1.51 0.00 0.00 72.50 67.00 2k2p s THR 32 CO 0.24 -0.79 1.33 0.00 -2.21 0.00 0.00 174.62 173.18 2k2p h GLY 34 N -0.26 0.00 0.20 0.00 0.00 -1.97 -0.12 103.07 100.92 2k2p h GLY 34 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2k2p h GLY 34 CO -0.33 0.00 -0.53 1.42 0.00 0.00 0.00 176.54 177.10 2k2p n HIS 35 N -3.58 0.00 -0.66 5.60 -0.00 -0.92 -4.25 115.22 111.41 2k2p n HIS 35 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2k2p n HIS 35 Cb 0.36 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 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 -0.37 -0.72 0.00 0.00 -1.20 -1.91 119.26 115.06 2k2p h ALA 37 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2k2p h ALA 37 Cb 0.80 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2k2p h ALA 37 CO 0.00 -0.75 0.23 0.78 0.00 0.00 0.00 179.25 179.51 2k2p h GLY 38 N -0.41 1.21 0.95 0.00 0.00 -1.91 -2.24 103.07 100.67 2k2p h GLY 38 Ca 0.02 -0.71 -0.21 0.00 0.00 0.00 0.00 47.33 46.42 2k2p h GLY 38 CO -0.10 0.67 -0.87 -0.24 0.00 0.00 0.00 176.54 176.00 2k2p h VAL 39 N 1.07 1.38 -0.12 4.60 3.04 -1.94 -1.49 116.25 122.79 2k2p h VAL 39 Ca 0.23 -2.26 -0.20 0.00 -1.01 0.00 0.00 66.70 63.46 2k2p h VAL 39 Cb 0.30 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 2k2p h VAL 39 CO -0.01 0.67 -0.73 -0.29 -1.01 0.00 0.00 177.57 176.20 2k2p h ILE 40 N 0.04 1.33 -0.06 3.17 2.10 -1.33 -0.78 117.51 121.98 2k2p h ILE 40 Ca -0.12 -2.04 -0.16 0.00 1.08 0.00 0.00 64.86 63.62 2k2p h ILE 40 Cb 1.58 2.02 0.01 0.00 -1.09 0.00 0.00 36.82 39.34 2k2p h ILE 40 CO 0.17 0.63 -0.59 0.11 -1.08 0.00 0.00 178.15 177.39 2k2p h LYS 41 N 0.40 0.50 -0.04 2.19 1.57 -1.55 -3.31 116.57 116.32 2k2p h LYS 41 Ca -0.03 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 2k2p h LYS 41 Cb 1.32 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 2k2p h LYS 41 CO 0.14 1.10 -0.17 0.78 -0.57 0.00 0.00 179.45 180.73 2k2p h GLY 42 N 0.06 0.07 0.94 3.86 0.00 -1.20 -0.62 103.07 106.19 2k2p h GLY 42 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2k2p h GLY 42 CO 0.12 0.04 -0.20 0.00 0.00 0.00 0.00 176.54 176.50 2k2p h ALA 43 N 1.77 -0.55 -0.07 3.60 0.00 -1.23 -2.62 119.26 120.17 2k2p h ALA 43 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k2p h ALA 43 Cb 0.34 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k2p h ALA 43 CO 0.02 -0.77 -0.22 0.82 0.00 0.00 0.00 179.25 179.10 2k2p h ILE 44 N -0.61 1.43 0.00 0.00 2.04 -1.61 -3.18 117.51 115.58 2k2p h ILE 44 Ca -0.06 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.21 2k2p h ILE 44 Cb 0.46 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2k2p h ILE 44 CO 0.09 0.45 -0.06 -0.08 0.00 0.00 0.00 178.15 178.56 2k2p h GLU 45 N -0.24 -0.10 0.00 2.37 4.57 -1.19 -1.04 114.58 118.95 2k2p h GLU 45 Ca -0.01 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2k2p h GLU 45 Cb 0.85 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2k2p h GLU 45 CO 0.05 -0.07 -0.06 0.87 -1.18 0.00 0.00 179.01 178.62 2k2p h LYS 46 N -0.10 0.00 0.09 1.92 6.56 -1.60 -1.47 116.57 121.96 2k2p h LYS 46 Ca 0.02 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.47 2k2p h LYS 46 Cb 0.13 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.81 2k2p h LYS 46 CO -0.06 0.06 -0.60 1.15 -2.06 0.00 0.00 179.45 177.95 2k2p h THR 47 N 0.00 1.56 -2.88 -0.16 2.02 -1.49 -3.41 112.91 108.55 2k2p h THR 47 Ca -0.00 -2.41 -0.61 0.00 0.77 0.00 0.00 66.41 64.16 2k2p h THR 47 Cb 0.90 3.14 -0.41 0.00 -1.74 0.00 0.00 68.15 70.05 2k2p h THR 47 CO 0.01 0.67 -0.71 0.68 0.37 0.00 0.00 175.52 176.54 2k2p s VAL 48 N -2.53 2.00 0.06 3.16 -7.23 -0.41 -5.11 120.40 110.34 2k2p s VAL 48 Ca -0.15 -3.60 -0.30 0.00 -1.81 0.00 0.00 61.98 56.12 2k2p s VAL 48 Cb 0.00 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 2k2p s VAL 48 CO 0.80 -1.05 1.93 -2.16 -0.31 0.00 0.00 175.10 174.31 2k2p s PRO 49 N -0.79 4.14 0.00 4.82 0.04 -0.56 -2.50 135.00 140.15 2k2p s PRO 49 Ca 0.26 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.91 2k2p s PRO 49 Cb -0.05 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2k2p s PRO 49 CO -0.15 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2k2p n GLY 50 N 4.46 1.57 3.59 0.56 0.00 -1.26 -5.09 105.19 109.02 2k2p n GLY 50 Ca 0.19 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 -1.92 2.81 -0.70 4.61 0.00 -1.04 -4.70 121.76 120.82 2k2p s ALA 51 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 2k2p s ALA 51 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 23.12 19.08 2k2p s ALA 51 CO 0.00 -2.81 1.44 0.00 0.00 0.00 0.00 175.76 174.39 2k2p s ALA 52 N 6.57 2.59 0.09 0.00 0.00 -0.66 -4.75 121.76 125.60 2k2p s ALA 52 Ca 0.66 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 2k2p s ALA 52 Cb -0.16 -4.27 -0.07 0.00 0.00 0.00 0.00 23.12 18.63 2k2p s ALA 52 CO 0.30 -3.44 0.74 0.14 0.00 0.00 0.00 175.76 173.49 2k2p s VAL 53 N 6.65 4.59 -0.30 0.00 -7.23 -1.25 -0.79 120.40 122.07 2k2p s VAL 53 Ca 0.44 1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 62.20 2k2p s VAL 53 Cb -0.09 -4.09 0.09 0.00 0.56 0.00 0.00 36.38 32.85 2k2p s VAL 53 CO 0.17 0.45 0.07 -1.00 -0.31 0.00 0.00 175.10 174.48 2k2p s HIS 54 N -0.62 1.93 -0.25 2.82 3.76 0.13 -4.92 115.29 118.14 2k2p s HIS 54 Ca 0.36 -1.79 -0.17 0.00 -0.15 0.00 0.00 55.06 53.30 2k2p s HIS 54 Cb -0.21 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 2k2p s HIS 54 CO 0.24 -0.85 0.47 0.00 -0.85 0.00 0.00 174.74 173.74 2k2p s ALA 55 N 1.54 3.58 -0.39 -1.40 0.00 -1.25 -1.75 121.76 122.08 2k2p s ALA 55 Ca 0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2k2p s ALA 55 Cb -0.18 -2.82 0.09 0.00 0.00 0.00 0.00 23.12 20.22 2k2p s ALA 55 CO -0.20 -0.65 0.19 0.34 0.00 0.00 0.00 175.76 175.43 2k2p s ASP 56 N 1.48 5.33 0.32 0.00 -1.08 -0.88 -4.98 116.67 116.87 2k2p s ASP 56 Ca 0.20 -1.71 0.07 0.00 -0.52 0.00 0.00 52.55 50.59 2k2p s ASP 56 Cb -0.16 -1.87 0.91 0.00 -1.46 0.00 0.00 42.92 40.35 2k2p s ASP 56 CO 0.09 -0.49 1.55 -2.65 0.52 0.00 0.00 175.17 174.19 2k2p n PRO 57 N 4.72 -0.07 -0.01 4.34 -0.02 -1.26 0.38 135.00 143.08 2k2p n PRO 57 Ca -0.07 1.45 -0.17 0.00 -2.02 0.00 0.00 63.50 62.69 2k2p n PRO 57 Cb 0.42 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 2k2p n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2p h ALA 58 N 1.97 0.01 -0.01 3.55 0.00 -2.00 -3.34 119.26 119.46 2k2p h ALA 58 Ca 0.66 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k2p h ALA 58 Cb 1.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2k2p h ALA 58 CO -0.88 0.19 -0.41 0.45 0.00 0.00 0.00 179.25 178.60 2k2p n SER 59 N -4.38 0.94 -4.38 0.00 2.88 -1.11 -4.97 113.62 102.61 2k2p n SER 59 Ca -0.11 -0.75 -0.35 0.00 -1.33 0.00 0.00 58.87 56.33 2k2p n SER 59 Cb 0.61 0.27 -0.08 0.00 -0.75 0.00 0.00 64.21 64.25 2k2p n SER 59 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k2p n ARG 60 N -0.94 -1.13 -4.73 -1.46 0.00 0.16 -4.74 116.66 103.83 2k2p n ARG 60 Ca 0.09 0.15 -0.33 0.00 -0.00 0.00 0.00 57.85 57.75 2k2p n ARG 60 Cb 0.35 -4.16 -0.13 0.00 -0.00 0.00 0.00 32.46 28.52 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 -3.87 3.28 -0.44 8.89 2.01 -1.23 -0.93 115.64 123.36 2k2p s THR 61 Ca 0.36 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 2k2p s THR 61 Cb -0.21 -2.36 0.07 0.00 0.01 0.00 0.00 72.50 70.02 2k2p s THR 61 CO 1.00 0.55 0.32 -0.69 -0.69 0.00 0.00 174.62 175.11 2k2p s VAL 62 N -0.12 4.73 -0.27 3.82 1.01 -0.56 -2.08 120.40 126.94 2k2p s VAL 62 Ca -0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 2k2p s VAL 62 Cb -0.13 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2k2p s VAL 62 CO 0.03 -0.51 0.43 -0.69 0.00 0.00 0.00 175.10 174.36 2k2p s VAL 63 N 1.54 5.13 -0.28 2.92 1.01 -0.72 -1.80 120.40 128.20 2k2p s VAL 63 Ca 0.03 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2k2p s VAL 63 Cb -0.23 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2k2p s VAL 63 CO 0.05 0.13 0.10 0.68 0.00 0.00 0.00 175.10 176.05 2k2p s VAL 64 N 2.16 4.29 0.19 2.92 -7.23 -0.40 -0.69 120.40 121.64 2k2p s VAL 64 Ca 0.17 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.89 2k2p s VAL 64 Cb -0.16 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2k2p s VAL 64 CO 0.10 0.17 0.42 -0.83 -0.31 0.00 0.00 175.10 174.65 2k2p s GLY 65 N 1.58 2.00 0.00 2.32 0.00 0.03 -1.44 107.32 111.81 2k2p s GLY 65 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.11 2k2p s GLY 65 CO 0.04 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.17 2k2p n GLY 66 N -0.40 3.00 3.89 0.20 0.00 0.02 -1.66 105.19 110.26 2k2p n GLY 66 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.20 5.03 -0.03 1.61 -7.23 -1.25 -4.93 120.40 111.40 2k2p s VAL 67 Ca 0.00 -0.84 0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2k2p s VAL 67 Cb 0.00 -3.59 0.19 0.00 0.56 0.00 0.00 36.38 33.54 2k2p s VAL 67 CO 0.00 -0.11 1.09 -1.20 -0.31 0.00 0.00 175.10 174.57 2k2p n SER 68 N -0.52 0.74 -3.51 4.85 7.64 -1.26 -4.43 113.62 117.13 2k2p n SER 68 Ca -0.07 -2.30 -0.28 0.00 1.01 0.00 0.00 58.87 57.23 2k2p n SER 68 Cb 0.54 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 2k2p n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k2p n ASP 69 N -0.14 3.73 -0.05 6.43 5.75 -1.26 -4.93 116.55 126.07 2k2p n ASP 69 Ca 0.05 -3.41 0.02 0.00 -0.01 0.00 0.00 54.79 51.44 2k2p n ASP 69 Cb 0.82 -0.70 0.35 0.00 -1.03 0.00 0.00 41.12 40.56 2k2p n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k2p h ALA 70 N 4.38 1.57 -0.50 2.12 0.00 -2.00 -2.12 119.26 122.72 2k2p h ALA 70 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2k2p h ALA 70 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2k2p h ALA 70 CO 0.83 0.36 0.19 0.00 0.00 0.00 0.00 179.25 180.64 2k2p h ALA 71 N 1.64 0.65 -0.33 0.00 0.00 -1.99 -2.02 119.26 117.20 2k2p h ALA 71 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2k2p h ALA 71 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2k2p h ALA 71 CO -0.03 0.27 -0.06 0.45 0.00 0.00 0.00 179.25 179.87 2k2p h HIS 72 N 0.67 0.71 -0.80 0.00 -0.00 -1.83 -2.09 115.15 111.80 2k2p h HIS 72 Ca 0.17 -0.15 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 2k2p h HIS 72 Cb 0.21 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 2k2p h HIS 72 CO 0.01 0.79 0.39 0.82 -0.00 0.00 0.00 177.93 179.93 2k2p h ILE 73 N 0.42 1.25 -0.75 2.45 1.08 -1.40 -2.38 117.51 118.18 2k2p h ILE 73 Ca 0.09 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 2k2p h ILE 73 Cb 0.55 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 2k2p h ILE 73 CO 0.03 0.30 0.41 0.00 -0.69 0.00 0.00 178.15 178.20 2k2p h ALA 74 N 1.20 1.30 -0.85 1.87 0.00 -1.19 -2.26 119.26 119.34 2k2p h ALA 74 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2k2p h ALA 74 Cb 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2k2p h ALA 74 CO -0.03 0.56 0.40 0.93 0.00 0.00 0.00 179.25 181.11 2k2p h GLU 75 N 1.05 1.23 0.34 0.00 4.39 -0.90 -2.62 114.58 118.06 2k2p h GLU 75 Ca 0.26 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2k2p h GLU 75 Cb 0.03 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2k2p h GLU 75 CO -0.04 0.95 -0.16 0.82 -1.16 0.00 0.00 179.01 179.42 2k2p h ILE 76 N 1.22 0.64 -0.26 3.13 2.04 -0.94 -2.22 117.51 121.12 2k2p h ILE 76 Ca 0.29 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 2k2p h ILE 76 Cb 0.14 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2k2p h ILE 76 CO -0.03 0.10 -0.23 -0.29 0.00 0.00 0.00 178.15 177.70 2k2p h ILE 77 N -0.77 1.26 -0.00 -0.67 2.10 -1.48 -1.32 117.51 116.62 2k2p h ILE 77 Ca -0.05 -1.21 -0.15 0.00 1.08 0.00 0.00 64.86 64.52 2k2p h ILE 77 Cb 0.51 1.31 -0.02 0.00 -1.09 0.00 0.00 36.82 37.54 2k2p h ILE 77 CO 0.08 0.39 -0.73 0.00 -1.08 0.00 0.00 178.15 176.80 2k2p h THR 78 N 0.42 1.51 0.00 2.19 1.03 -1.38 -2.07 112.91 114.62 2k2p h THR 78 Ca 0.07 -2.47 -0.05 0.00 -0.01 0.00 0.00 66.41 63.94 2k2p h THR 78 Cb 0.63 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 70.04 2k2p h THR 78 CO 0.05 0.71 -0.26 0.00 -0.01 0.00 0.00 175.52 176.00 2k2p h ALA 79 N 1.25 1.01 0.00 0.00 0.00 -0.83 -2.11 119.26 118.59 2k2p h ALA 79 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k2p h ALA 79 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k2p h ALA 79 CO 0.10 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2k2p h ALA 80 N 1.74 1.00 0.00 0.00 0.00 -1.01 -3.47 119.26 117.53 2k2p h ALA 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2p h ALA 80 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k2p h ALA 80 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2k2p n GLY 81 N 0.20 1.07 2.98 0.00 0.00 -0.79 -5.08 105.19 103.56 2k2p n GLY 81 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 3.15 -0.11 1.61 2.02 -0.80 -5.02 117.35 116.21 2k2p s TYR 82 Ca 0.00 -2.49 -0.29 0.00 -0.37 0.00 0.00 57.07 53.92 2k2p s TYR 82 Cb 0.00 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 2k2p s TYR 82 CO 0.00 -0.90 1.01 -0.08 -1.57 0.00 0.00 175.55 174.01 2k2p s THR 83 N 1.12 4.78 0.00 -0.71 -1.32 -1.26 -3.05 115.64 115.20 2k2p s THR 83 Ca 0.04 2.04 0.00 0.00 -1.21 0.00 0.00 61.69 62.56 2k2p s THR 83 Cb -0.19 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.49 2k2p s THR 83 CO -0.10 -0.00 0.54 -2.65 -2.21 0.00 0.00 174.62 170.20 2k2p n PRO 84 N 5.05 0.00 0.00 7.08 -0.02 -1.26 -4.40 135.00 141.45 2k2p n PRO 84 Ca 0.09 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2k2p n PRO 84 Cb 0.49 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 2k2p n PRO 84 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57