#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 -0.81 -0.46 0.00 0.00 -1.26 -2.60 107.32 102.18 2k2p s GLY 23 Ca 0.00 1.92 -0.26 0.00 0.00 0.00 0.00 44.72 46.39 2k2p s GLY 23 CO 0.00 3.15 0.94 1.08 0.00 0.00 0.00 173.10 178.27 2k2p s LEU 24 N 2.83 3.98 -0.42 0.66 1.43 -0.42 -4.82 118.68 121.92 2k2p s LEU 24 Ca 0.09 0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.13 2k2p s LEU 24 Cb -0.14 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2k2p s LEU 24 CO -0.19 -1.07 0.67 -0.94 0.23 0.00 0.00 176.35 175.05 2k2p s SER 25 N 2.28 6.37 -0.29 2.29 1.04 -1.26 -1.20 113.70 122.92 2k2p s SER 25 Ca 0.38 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.57 2k2p s SER 25 Cb -0.10 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.70 2k2p s SER 25 CO 0.27 -0.77 0.08 -0.36 0.98 0.00 0.00 173.24 173.44 2k2p s PHE 26 N 2.90 3.15 0.10 5.02 0.40 -0.56 -4.97 117.98 124.03 2k2p s PHE 26 Ca 0.25 -1.01 -0.27 0.00 -0.60 0.00 0.00 56.93 55.30 2k2p s PHE 26 Cb -0.14 -2.25 -0.06 0.00 0.51 0.00 0.00 43.02 41.08 2k2p s PHE 26 CO 0.19 -0.58 0.84 -1.01 0.70 0.00 0.00 175.22 175.35 2k2p s HIS 27 N 1.49 3.82 -0.31 0.36 3.76 -1.26 -0.62 115.29 122.53 2k2p s HIS 27 Ca 0.02 1.63 -0.03 0.00 -0.15 0.00 0.00 55.06 56.54 2k2p s HIS 27 Cb -0.17 -2.89 0.11 0.00 1.11 0.00 0.00 32.58 30.74 2k2p s HIS 27 CO 0.02 0.32 0.15 0.08 -0.85 0.00 0.00 174.74 174.47 2k2p s VAL 28 N -0.37 0.01 -1.37 -0.90 1.01 -0.19 -0.23 120.40 118.35 2k2p s VAL 28 Ca 0.40 -1.04 0.19 0.00 0.00 0.00 0.00 61.98 61.53 2k2p s VAL 28 Cb -0.22 -1.03 0.31 0.00 0.00 0.00 0.00 36.38 35.44 2k2p s VAL 28 CO 0.26 -0.80 1.60 -1.84 0.00 0.00 0.00 175.10 174.32 2k2p n GLU 29 N 4.90 0.24 0.11 2.72 -0.00 -1.26 -2.17 120.64 125.18 2k2p n GLU 29 Ca -0.01 0.11 0.12 0.00 -0.00 0.00 0.00 57.16 57.38 2k2p n GLU 29 Cb 0.41 -1.50 0.04 0.00 -0.00 0.00 0.00 31.44 30.39 2k2p n GLU 29 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2k2p h ASP 30 N 0.00 0.00 -1.59 -1.84 3.58 -1.92 -3.45 116.42 111.21 2k2p h ASP 30 Ca 0.00 -0.03 -0.43 0.00 0.42 0.00 0.00 57.03 56.99 2k2p h ASP 30 Cb 0.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2k2p h ASP 30 CO 0.00 0.01 1.19 -0.32 -2.88 0.00 0.00 179.24 177.25 2k2p s MET 31 N -3.32 2.51 -0.88 0.28 1.75 -0.92 -4.92 119.30 113.78 2k2p s MET 31 Ca 0.01 0.49 -0.23 0.00 -1.25 0.00 0.00 55.69 54.70 2k2p s MET 31 Cb 0.09 -4.58 0.06 0.00 2.84 0.00 0.00 34.83 33.24 2k2p s MET 31 CO 0.77 -3.01 1.29 0.95 -0.65 0.00 0.00 175.02 174.37 2k2p s THR 32 N 9.89 4.04 0.00 10.11 -4.23 -1.26 -4.91 115.64 129.28 2k2p s THR 32 Ca 0.72 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2k2p s THR 32 Cb -0.12 -4.93 0.00 0.00 1.34 0.00 0.00 72.50 68.79 2k2p s THR 32 CO 0.16 -1.79 0.00 0.00 -0.54 0.00 0.00 174.62 172.45 2k2p h GLY 34 N 0.00 0.00 1.28 0.00 0.00 -1.97 -1.19 103.07 101.19 2k2p h GLY 34 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2k2p h GLY 34 CO 0.00 0.00 0.42 0.84 0.00 0.00 0.00 176.54 177.80 2k2p h HIS 35 N 0.00 0.74 0.00 5.60 -0.00 -1.86 -3.14 115.15 116.49 2k2p h HIS 35 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2k2p h HIS 35 Cb 0.21 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2k2p h HIS 35 CO 0.00 0.44 -0.83 0.00 -0.00 0.00 0.00 177.93 177.55 2k2p h ALA 37 N 0.95 1.01 -0.13 0.00 0.00 -1.17 -2.46 119.26 117.47 2k2p h ALA 37 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k2p h ALA 37 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k2p h ALA 37 CO 0.00 0.46 0.07 0.78 0.00 0.00 0.00 179.25 180.55 2k2p h GLY 38 N 1.09 0.19 1.23 0.00 0.00 -1.86 -2.45 103.07 101.26 2k2p h GLY 38 Ca 0.29 -0.09 -0.26 0.00 0.00 0.00 0.00 47.33 47.27 2k2p h GLY 38 CO -0.06 0.09 -1.01 -0.24 0.00 0.00 0.00 176.54 175.33 2k2p h VAL 39 N 0.09 1.28 -0.52 4.60 3.04 -1.89 -1.24 116.25 121.62 2k2p h VAL 39 Ca 0.04 -2.22 -0.11 0.00 -1.01 0.00 0.00 66.70 63.40 2k2p h VAL 39 Cb 0.10 2.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 2k2p h VAL 39 CO -0.01 0.69 -0.12 -0.29 -1.01 0.00 0.00 177.57 176.83 2k2p h ILE 40 N 0.41 1.27 -0.00 3.17 2.10 -1.45 -1.66 117.51 121.34 2k2p h ILE 40 Ca -0.12 -1.27 -0.15 0.00 1.08 0.00 0.00 64.86 64.40 2k2p h ILE 40 Cb 1.65 1.00 0.01 0.00 -1.09 0.00 0.00 36.82 38.39 2k2p h ILE 40 CO 0.20 0.44 -0.59 0.11 -1.08 0.00 0.00 178.15 177.23 2k2p h LYS 41 N 0.87 0.41 -0.19 2.19 1.57 -1.55 -3.34 116.57 116.53 2k2p h LYS 41 Ca 0.13 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.53 2k2p h LYS 41 Cb 0.68 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2k2p h LYS 41 CO 0.05 1.10 0.14 0.78 -0.57 0.00 0.00 179.45 180.95 2k2p h GLY 42 N -0.11 0.03 0.57 3.86 0.00 -1.04 0.15 103.07 106.53 2k2p h GLY 42 Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2k2p h GLY 42 CO 0.12 0.01 -0.15 0.00 0.00 0.00 0.00 176.54 176.52 2k2p h ALA 43 N 1.90 -0.13 -0.22 3.60 0.00 -1.42 -2.08 119.26 120.91 2k2p h ALA 43 Ca 0.09 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2k2p h ALA 43 Cb 0.33 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k2p h ALA 43 CO -0.00 -0.63 -0.61 0.82 0.00 0.00 0.00 179.25 178.83 2k2p h ILE 44 N -0.22 1.28 0.04 0.00 2.04 -1.25 -3.09 117.51 116.31 2k2p h ILE 44 Ca 0.07 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.12 2k2p h ILE 44 Cb 0.31 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2k2p h ILE 44 CO -0.18 0.58 -0.02 -0.33 0.00 0.00 0.00 178.15 178.20 2k2p h GLU 45 N 0.56 -0.05 -0.03 2.37 5.08 -1.01 0.40 114.58 121.89 2k2p h GLU 45 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2k2p h GLU 45 Cb 1.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k2p h GLU 45 CO 0.13 0.12 -0.60 0.87 -1.00 0.00 0.00 179.01 178.53 2k2p h LYS 46 N -0.21 0.12 0.01 2.33 6.56 -1.49 -3.09 116.57 120.79 2k2p h LYS 46 Ca -0.01 -0.08 -0.20 0.00 -1.06 0.00 0.00 60.65 59.30 2k2p h LYS 46 Cb 0.19 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2k2p h LYS 46 CO 0.01 0.68 -0.81 1.15 -2.06 0.00 0.00 179.45 178.42 2k2p h THR 47 N 0.09 1.37 -3.27 -0.16 2.02 -1.51 -3.42 112.91 108.02 2k2p h THR 47 Ca -0.01 -2.17 -0.63 0.00 0.77 0.00 0.00 66.41 64.38 2k2p h THR 47 Cb 1.08 2.53 -0.40 0.00 -1.74 0.00 0.00 68.15 69.62 2k2p h THR 47 CO 0.09 0.65 -0.70 -0.69 0.37 0.00 0.00 175.52 175.23 2k2p s VAL 48 N -3.22 1.89 -0.24 3.16 1.01 0.13 -5.09 120.40 118.04 2k2p s VAL 48 Ca -0.12 -2.63 -0.29 0.00 0.00 0.00 0.00 61.98 58.95 2k2p s VAL 48 Cb 0.05 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2k2p s VAL 48 CO 0.87 -0.78 1.73 -2.84 0.00 0.00 0.00 175.10 174.07 2k2p s PRO 49 N 0.40 3.63 0.00 2.72 0.02 -1.18 -2.75 135.00 137.83 2k2p s PRO 49 Ca 0.15 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2k2p s PRO 49 Cb -0.23 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2k2p s PRO 49 CO -0.04 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 2k2p n GLY 50 N 4.97 1.40 3.55 0.52 0.00 -1.26 -5.08 105.19 109.28 2k2p n GLY 50 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.88 3.05 -0.68 4.61 0.00 -1.11 -4.50 121.76 121.25 2k2p s ALA 51 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 2k2p s ALA 51 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 23.12 19.24 2k2p s ALA 51 CO 0.00 -2.58 1.16 0.00 0.00 0.00 0.00 175.76 174.33 2k2p s ALA 52 N 4.56 2.91 0.08 0.00 0.00 -0.40 -4.74 121.76 124.17 2k2p s ALA 52 Ca 0.37 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 2k2p s ALA 52 Cb -0.10 -4.08 -0.06 0.00 0.00 0.00 0.00 23.12 18.88 2k2p s ALA 52 CO 0.22 -2.98 0.78 0.14 0.00 0.00 0.00 175.76 173.92 2k2p s VAL 53 N 5.05 4.64 -0.35 0.00 -7.23 -1.25 -1.08 120.40 120.17 2k2p s VAL 53 Ca 0.33 1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 62.17 2k2p s VAL 53 Cb -0.10 -4.13 0.12 0.00 0.56 0.00 0.00 36.38 32.82 2k2p s VAL 53 CO 0.16 0.40 0.17 -1.00 -0.31 0.00 0.00 175.10 174.51 2k2p s HIS 54 N -0.29 1.37 -0.31 2.82 3.76 0.22 -4.91 115.29 117.96 2k2p s HIS 54 Ca 0.38 -1.79 -0.19 0.00 -0.15 0.00 0.00 55.06 53.32 2k2p s HIS 54 Cb -0.21 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 2k2p s HIS 54 CO 0.24 -0.83 0.56 0.00 -0.85 0.00 0.00 174.74 173.86 2k2p s ALA 55 N 1.21 3.52 -0.22 -1.40 0.00 -1.25 -1.12 121.76 122.51 2k2p s ALA 55 Ca 0.14 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 2k2p s ALA 55 Cb -0.20 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2k2p s ALA 55 CO -0.14 -1.05 0.35 0.34 0.00 0.00 0.00 175.76 175.26 2k2p s ASP 56 N 1.67 6.36 0.15 0.00 -1.08 -0.27 -4.95 116.67 118.56 2k2p s ASP 56 Ca 0.22 0.42 -0.17 0.00 -0.52 0.00 0.00 52.55 52.50 2k2p s ASP 56 Cb -0.15 -2.21 0.03 0.00 -1.46 0.00 0.00 42.92 39.13 2k2p s ASP 56 CO 0.12 -0.06 1.77 -0.65 0.52 0.00 0.00 175.17 176.86 2k2p h PRO 57 N 7.47 0.31 0.06 4.34 0.11 -1.94 -0.66 132.00 141.69 2k2p h PRO 57 Ca -0.36 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k2p h PRO 57 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k2p h PRO 57 CO 0.70 0.20 -0.03 0.00 -0.21 0.00 0.00 178.00 178.66 2k2p h ALA 58 N 1.19 -0.08 0.00 -0.75 0.00 -1.96 -3.32 119.26 114.34 2k2p h ALA 58 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k2p h ALA 58 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k2p h ALA 58 CO -0.12 -0.14 -0.01 0.45 0.00 0.00 0.00 179.25 179.44 2k2p n SER 59 N -4.78 0.54 -1.35 0.00 2.88 -1.25 -4.94 113.62 104.73 2k2p n SER 59 Ca -0.07 0.54 -0.15 0.00 -1.33 0.00 0.00 58.87 57.86 2k2p n SER 59 Cb 0.30 -0.69 -0.04 0.00 -0.75 0.00 0.00 64.21 63.03 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 -2.00 -1.09 -4.25 -1.46 5.12 -0.26 -4.84 116.66 107.88 2k2p n ARG 60 Ca 0.06 0.92 -0.34 0.00 -1.93 0.00 0.00 57.85 56.56 2k2p n ARG 60 Cb 0.40 -5.12 -0.13 0.00 -1.16 0.00 0.00 32.46 26.45 2k2p n ARG 60 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2k2p s THR 61 N -2.62 3.76 -0.48 0.55 2.01 -1.21 -1.02 115.64 116.63 2k2p s THR 61 Ca 0.00 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.44 2k2p s THR 61 Cb 0.00 -2.67 0.07 0.00 0.01 0.00 0.00 72.50 69.90 2k2p s THR 61 CO 0.00 0.46 0.47 -0.69 -0.69 0.00 0.00 174.62 174.17 2k2p s VAL 62 N 0.75 5.12 -0.28 3.82 1.01 0.21 -1.11 120.40 129.92 2k2p s VAL 62 Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 2k2p s VAL 62 Cb -0.14 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2k2p s VAL 62 CO 0.02 -0.64 0.38 -0.69 0.00 0.00 0.00 175.10 174.17 2k2p s VAL 63 N 1.96 5.16 -0.39 2.92 1.01 -0.27 -1.49 120.40 129.30 2k2p s VAL 63 Ca 0.08 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 2k2p s VAL 63 Cb -0.22 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2k2p s VAL 63 CO 0.08 0.13 0.24 0.68 0.00 0.00 0.00 175.10 176.23 2k2p s VAL 64 N 2.09 4.76 0.17 2.92 -7.23 -0.34 -0.61 120.40 122.17 2k2p s VAL 64 Ca 0.15 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 2k2p s VAL 64 Cb -0.16 -3.68 -0.06 0.00 0.56 0.00 0.00 36.38 33.04 2k2p s VAL 64 CO 0.10 -0.28 0.42 -0.83 -0.31 0.00 0.00 175.10 174.20 2k2p s GLY 65 N 1.63 2.24 0.00 2.32 0.00 -0.24 -1.30 107.32 111.98 2k2p s GLY 65 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2k2p s GLY 65 CO 0.07 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.39 2k2p n GLY 66 N 0.01 3.15 3.83 0.20 0.00 -1.07 -1.28 105.19 110.03 2k2p n GLY 66 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.52 4.90 0.00 1.61 -7.23 -1.26 -4.99 120.40 110.91 2k2p s VAL 67 Ca 0.00 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2k2p s VAL 67 Cb 0.00 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2k2p s VAL 67 CO 0.00 0.19 0.48 -0.24 -0.31 0.00 0.00 175.10 175.22 2k2p n SER 68 N 0.59 0.94 -4.28 4.85 2.88 -1.26 -4.55 113.62 112.79 2k2p n SER 68 Ca -0.09 -1.10 -0.43 0.00 -1.33 0.00 0.00 58.87 55.92 2k2p n SER 68 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 2k2p n SER 68 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2k2p s ASP 69 N -0.10 6.80 0.27 -3.46 -4.77 -1.26 -4.91 116.67 109.24 2k2p s ASP 69 Ca 0.00 -3.32 -0.01 0.00 -3.30 0.00 0.00 52.55 45.92 2k2p s ASP 69 Cb 0.00 -2.13 0.37 0.00 -1.09 0.00 0.00 42.92 40.07 2k2p s ASP 69 CO 0.00 -0.35 1.78 0.00 0.70 0.00 0.00 175.17 177.30 2k2p h ALA 70 N 6.89 1.15 -0.40 2.11 0.00 -2.00 -2.85 119.26 124.16 2k2p h ALA 70 Ca 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k2p h ALA 70 Cb 0.92 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2k2p h ALA 70 CO 0.89 0.55 0.08 0.00 0.00 0.00 0.00 179.25 180.77 2k2p h ALA 71 N 1.30 0.53 -0.05 0.00 0.00 -1.99 -1.43 119.26 117.62 2k2p h ALA 71 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k2p h ALA 71 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k2p h ALA 71 CO 0.02 0.22 0.02 0.45 0.00 0.00 0.00 179.25 179.96 2k2p h HIS 72 N 0.50 0.07 -0.98 0.00 -0.00 -1.97 -1.62 115.15 111.15 2k2p h HIS 72 Ca 0.12 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2k2p h HIS 72 Cb 0.34 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.68 2k2p h HIS 72 CO 0.02 0.14 0.65 0.82 -0.00 0.00 0.00 177.93 179.57 2k2p h ILE 73 N -0.03 1.24 -0.50 2.45 1.08 -1.46 -1.70 117.51 118.60 2k2p h ILE 73 Ca 0.02 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 64.00 2k2p h ILE 73 Cb 0.10 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.63 2k2p h ILE 73 CO -0.00 0.24 0.15 0.00 -0.69 0.00 0.00 178.15 177.85 2k2p h ALA 74 N 1.37 1.34 -0.26 1.87 0.00 -1.06 -2.10 119.26 120.42 2k2p h ALA 74 Ca 0.37 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2k2p h ALA 74 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2k2p h ALA 74 CO -0.09 0.48 -0.37 0.93 0.00 0.00 0.00 179.25 180.21 2k2p h GLU 75 N 0.72 0.58 0.18 0.00 4.39 -0.44 -2.53 114.58 117.48 2k2p h GLU 75 Ca 0.17 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2k2p h GLU 75 Cb 0.21 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2k2p h GLU 75 CO -0.01 0.86 -0.09 0.82 -1.16 0.00 0.00 179.01 179.43 2k2p h ILE 76 N 0.49 0.93 -0.36 3.13 2.04 -0.95 -1.95 117.51 120.84 2k2p h ILE 76 Ca 0.05 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 2k2p h ILE 76 Cb 0.86 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2k2p h ILE 76 CO 0.07 0.18 -0.12 -0.29 0.00 0.00 0.00 178.15 177.99 2k2p h ILE 77 N -0.66 1.25 -0.00 -0.67 2.10 -1.46 -1.67 117.51 116.39 2k2p h ILE 77 Ca -0.02 -1.10 -0.16 0.00 1.08 0.00 0.00 64.86 64.66 2k2p h ILE 77 Cb 0.48 1.11 -0.02 0.00 -1.09 0.00 0.00 36.82 37.29 2k2p h ILE 77 CO 0.04 0.37 -0.76 0.00 -1.08 0.00 0.00 178.15 176.72 2k2p h THR 78 N 0.57 1.54 0.00 2.19 1.03 -1.33 -2.53 112.91 114.39 2k2p h THR 78 Ca 0.10 -2.59 0.00 0.00 -0.01 0.00 0.00 66.41 63.91 2k2p h THR 78 Cb 0.54 2.40 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 2k2p h THR 78 CO 0.03 0.74 0.00 0.00 -0.01 0.00 0.00 175.52 176.29 2k2p h ALA 79 N 1.24 1.00 0.00 0.00 0.00 -0.93 -2.27 119.26 118.30 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 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k2p h ALA 79 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2k2p n ALA 80 N -2.08 2.22 0.00 0.00 0.00 -0.67 -4.92 120.51 115.06 2k2p n ALA 80 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k2p n ALA 80 Cb 0.38 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.21 0.64 3.46 0.00 0.00 -0.85 -5.05 105.19 104.60 2k2p n GLY 81 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.13 3.01 -0.15 1.61 2.02 -0.97 -4.99 117.35 115.76 2k2p s TYR 82 Ca 0.00 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 2k2p s TYR 82 Cb 0.00 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.93 2k2p s TYR 82 CO 0.00 -1.06 1.61 0.99 -1.57 0.00 0.00 175.55 175.52 2k2p s THR 83 N 2.84 3.69 -0.95 -0.71 2.01 -1.26 -2.93 115.64 118.33 2k2p s THR 83 Ca 0.18 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 2k2p s THR 83 Cb -0.18 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 2k2p s THR 83 CO 0.14 -0.18 2.05 -2.16 -0.69 0.00 0.00 174.62 173.78 2k2p s PRO 84 N 4.34 2.25 0.00 4.92 0.04 -1.26 -4.74 135.00 140.54 2k2p s PRO 84 Ca 0.71 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2k2p s PRO 84 Cb -0.28 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2k2p s PRO 84 CO 0.28 -3.87 0.00 -1.91 0.04 0.00 0.00 177.00 171.54