#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 0.25 0.71 0.00 0.00 -1.25 -1.36 107.32 105.67 2k2p s GLY 23 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 2k2p s GLY 23 CO 0.00 1.98 1.09 1.08 0.00 0.00 0.00 173.10 177.26 2k2p s LEU 24 N 2.20 2.89 -0.25 0.66 2.01 -0.51 -4.86 118.68 120.82 2k2p s LEU 24 Ca 0.05 1.17 -0.03 0.00 0.01 0.00 0.00 54.13 55.33 2k2p s LEU 24 Cb -0.16 -3.96 0.14 0.00 0.01 0.00 0.00 46.19 42.22 2k2p s LEU 24 CO -0.17 -1.39 0.41 -0.94 1.01 0.00 0.00 176.35 175.27 2k2p s SER 25 N -4.30 -0.01 -0.27 2.29 1.04 -1.26 -1.88 113.70 109.32 2k2p s SER 25 Ca 0.58 0.37 -0.05 0.00 0.48 0.00 0.00 55.95 57.33 2k2p s SER 25 Cb -0.11 1.27 0.01 0.00 0.10 0.00 0.00 66.02 67.28 2k2p s SER 25 CO 0.52 -0.29 0.02 -0.36 0.98 0.00 0.00 173.24 174.12 2k2p s PHE 26 N 2.59 3.09 -0.98 5.02 0.08 -0.53 -4.93 117.98 122.32 2k2p s PHE 26 Ca 0.13 -1.04 -0.22 0.00 0.12 0.00 0.00 56.93 55.91 2k2p s PHE 26 Cb -0.15 -2.18 0.07 0.00 -0.57 0.00 0.00 43.02 40.18 2k2p s PHE 26 CO -0.16 -0.58 1.37 -3.38 -0.10 0.00 0.00 175.22 172.36 2k2p s HIS 27 N 1.47 2.64 -1.05 0.36 -3.43 -1.26 -1.18 115.29 112.84 2k2p s HIS 27 Ca 0.03 -0.91 -0.20 0.00 -0.80 0.00 0.00 55.06 53.18 2k2p s HIS 27 Cb -0.16 -4.60 0.09 0.00 -1.43 0.00 0.00 32.58 26.48 2k2p s HIS 27 CO -0.00 -1.85 1.39 0.08 -2.00 0.00 0.00 174.74 172.36 2k2p s VAL 28 N 4.53 4.34 -1.43 -5.38 1.01 0.53 -4.37 120.40 119.62 2k2p s VAL 28 Ca 0.42 -1.42 0.21 0.00 0.00 0.00 0.00 61.98 61.20 2k2p s VAL 28 Cb -0.02 -4.97 0.37 0.00 0.00 0.00 0.00 36.38 31.77 2k2p s VAL 28 CO -0.08 -1.78 1.69 -1.84 0.00 0.00 0.00 175.10 173.09 2k2p n GLU 29 N 7.68 0.31 0.12 2.72 0.00 -1.26 -1.98 120.64 128.23 2k2p n GLU 29 Ca 0.33 0.08 0.08 0.00 0.00 0.00 0.00 57.16 57.65 2k2p n GLU 29 Cb 0.49 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.44 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 -2.37 -1.84 3.58 -1.92 -3.47 116.42 110.41 2k2p h ASP 30 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2k2p h ASP 30 Cb 0.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2k2p h ASP 30 CO 0.00 0.21 1.37 -0.32 -2.88 0.00 0.00 179.24 177.62 2k2p s MET 31 N -3.17 3.19 -0.13 0.28 1.75 -0.84 -4.98 119.30 115.42 2k2p s MET 31 Ca 0.01 1.60 0.02 0.00 -1.25 0.00 0.00 55.69 56.07 2k2p s MET 31 Cb 0.08 -4.28 -0.00 0.00 2.84 0.00 0.00 34.83 33.47 2k2p s MET 31 CO 0.76 -2.03 -0.19 0.95 -0.65 0.00 0.00 175.02 173.87 2k2p s THR 32 N 7.66 2.47 0.46 10.11 -4.23 -1.26 -4.74 115.64 126.12 2k2p s THR 32 Ca 0.87 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2k2p s THR 32 Cb -0.25 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2k2p s THR 32 CO 0.33 0.54 0.00 0.00 -0.54 0.00 0.00 174.62 174.95 2k2p n GLY 34 N -3.64 -0.83 0.17 0.00 0.00 -1.26 -1.53 105.19 98.09 2k2p n GLY 34 Ca -0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 0.62 0.05 1.61 -0.00 -1.99 -0.27 115.15 115.18 2k2p h HIS 35 Ca 0.00 -0.22 -0.27 0.00 -0.00 0.00 0.00 60.37 59.88 2k2p h HIS 35 Cb 0.17 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 2k2p h HIS 35 CO 0.00 0.93 -1.37 0.00 -0.00 0.00 0.00 177.93 177.49 2k2p h ALA 37 N 0.78 0.88 -0.41 0.00 0.00 -1.38 -3.29 119.26 115.83 2k2p h ALA 37 Ca -0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2k2p h ALA 37 Cb 1.93 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2k2p h ALA 37 CO 0.14 0.65 0.17 0.78 0.00 0.00 0.00 179.25 180.99 2k2p h GLY 38 N 1.15 0.66 2.00 0.00 0.00 -1.10 -2.13 103.07 103.64 2k2p h GLY 38 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 2k2p h GLY 38 CO 0.08 0.33 -0.41 -0.24 0.00 0.00 0.00 176.54 176.31 2k2p h VAL 39 N 0.52 1.29 -0.13 4.60 3.04 -1.65 -1.07 116.25 122.85 2k2p h VAL 39 Ca 0.14 -1.40 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 2k2p h VAL 39 Cb 0.17 1.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2k2p h VAL 39 CO -0.01 0.40 -0.00 0.40 -1.01 0.00 0.00 177.57 177.34 2k2p h ILE 40 N 0.00 1.26 -0.29 3.17 2.04 -1.57 -1.18 117.51 120.94 2k2p h ILE 40 Ca -0.00 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.04 2k2p h ILE 40 Cb 0.72 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2k2p h ILE 40 CO 0.05 0.25 0.09 0.11 0.00 0.00 0.00 178.15 178.65 2k2p h LYS 41 N -0.03 0.21 -0.26 2.37 1.57 -1.09 -2.63 116.57 116.71 2k2p h LYS 41 Ca 0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2k2p h LYS 41 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2k2p h LYS 41 CO 0.01 0.14 -0.16 0.78 -0.57 0.00 0.00 179.45 179.64 2k2p h GLY 42 N 0.22 0.48 0.89 3.86 0.00 -1.19 -1.53 103.07 105.79 2k2p h GLY 42 Ca 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2k2p h GLY 42 CO -0.14 0.32 -0.20 0.00 0.00 0.00 0.00 176.54 176.51 2k2p h ALA 43 N 1.42 -0.57 -0.14 3.60 0.00 -0.88 -2.63 119.26 120.06 2k2p h ALA 43 Ca 0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2k2p h ALA 43 Cb 0.53 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k2p h ALA 43 CO 0.03 -0.76 -0.43 0.82 0.00 0.00 0.00 179.25 178.92 2k2p h ILE 44 N -0.69 1.36 -0.57 0.00 2.04 -1.46 -3.06 117.51 115.12 2k2p h ILE 44 Ca -0.06 -1.71 -0.07 0.00 1.00 0.00 0.00 64.86 64.02 2k2p h ILE 44 Cb 0.50 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2k2p h ILE 44 CO 0.10 0.52 0.08 -0.08 0.00 0.00 0.00 178.15 178.76 2k2p h GLU 45 N 0.15 0.92 0.01 2.37 4.81 -1.36 0.13 114.58 121.60 2k2p h GLU 45 Ca -0.01 -0.23 -0.24 0.00 -0.13 0.00 0.00 59.36 58.75 2k2p h GLU 45 Cb 1.05 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.32 2k2p h GLU 45 CO 0.09 0.86 -0.98 0.87 -0.73 0.00 0.00 179.01 179.12 2k2p h LYS 46 N 0.86 0.49 -0.30 1.92 6.56 -1.56 -3.25 116.57 121.29 2k2p h LYS 46 Ca 0.18 -0.54 -0.18 0.00 -1.06 0.00 0.00 60.65 59.04 2k2p h LYS 46 Cb 0.40 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 2k2p h LYS 46 CO 0.01 1.18 -0.52 1.15 -2.06 0.00 0.00 179.45 179.20 2k2p h THR 47 N 0.28 1.27 -3.46 -0.16 2.02 -1.42 -3.40 112.91 108.04 2k2p h THR 47 Ca -0.10 -1.70 -0.64 0.00 0.77 0.00 0.00 66.41 64.74 2k2p h THR 47 Cb 1.63 1.61 -0.40 0.00 -1.74 0.00 0.00 68.15 69.24 2k2p h THR 47 CO 0.18 0.56 -0.68 -0.69 0.37 0.00 0.00 175.52 175.25 2k2p s VAL 48 N -4.16 2.28 -0.40 3.16 1.01 0.02 -5.08 120.40 117.23 2k2p s VAL 48 Ca -0.11 -2.77 -0.27 0.00 0.00 0.00 0.00 61.98 58.83 2k2p s VAL 48 Cb 0.10 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2k2p s VAL 48 CO 0.89 -0.72 2.21 -2.84 0.00 0.00 0.00 175.10 174.64 2k2p s PRO 49 N 0.33 2.62 0.00 2.72 0.02 -1.23 -2.23 135.00 137.24 2k2p s PRO 49 Ca 0.14 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.67 2k2p s PRO 49 Cb -0.23 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 29.84 2k2p s PRO 49 CO -0.05 -2.69 0.00 0.41 -0.33 0.00 0.00 177.00 174.35 2k2p n GLY 50 N 5.83 0.85 3.56 0.52 0.00 -1.26 -5.09 105.19 109.60 2k2p n GLY 50 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.84 3.18 -0.83 4.61 0.00 -0.94 -4.46 121.76 121.46 2k2p s ALA 51 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 2k2p s ALA 51 Cb 0.00 -3.75 0.03 0.00 0.00 0.00 0.00 23.12 19.40 2k2p s ALA 51 CO 0.00 -2.23 1.43 0.00 0.00 0.00 0.00 175.76 174.96 2k2p s ALA 52 N 4.05 2.62 -0.06 0.00 0.00 -0.76 -4.67 121.76 122.93 2k2p s ALA 52 Ca 0.38 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 2k2p s ALA 52 Cb -0.10 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.60 2k2p s ALA 52 CO 0.26 -3.55 0.60 0.14 0.00 0.00 0.00 175.76 173.21 2k2p s VAL 53 N 6.03 5.05 -0.29 0.00 -7.23 -1.25 -2.20 120.40 120.51 2k2p s VAL 53 Ca 0.44 1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 61.81 2k2p s VAL 53 Cb -0.06 -3.94 0.12 0.00 0.56 0.00 0.00 36.38 33.06 2k2p s VAL 53 CO 0.06 0.33 0.20 -2.28 -0.31 0.00 0.00 175.10 173.10 2k2p s HIS 54 N 0.45 -0.03 -0.37 2.82 2.46 -0.48 -4.98 115.29 115.15 2k2p s HIS 54 Ca 0.32 -0.57 -0.19 0.00 0.47 0.00 0.00 55.06 55.09 2k2p s HIS 54 Cb -0.17 -0.70 0.00 0.00 -0.13 0.00 0.00 32.58 31.58 2k2p s HIS 54 CO 0.15 -0.87 0.57 0.00 -2.47 0.00 0.00 174.74 172.13 2k2p s ALA 55 N 2.21 3.44 -0.24 1.58 0.00 -1.26 -1.78 121.76 125.72 2k2p s ALA 55 Ca 0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2k2p s ALA 55 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2k2p s ALA 55 CO -0.35 -1.38 0.05 0.34 0.00 0.00 0.00 175.76 174.42 2k2p s ASP 56 N 1.82 5.03 0.33 0.00 -1.08 -0.43 -4.87 116.67 117.46 2k2p s ASP 56 Ca 0.21 -0.22 0.03 0.00 -0.52 0.00 0.00 52.55 52.05 2k2p s ASP 56 Cb -0.15 -1.90 0.57 0.00 -1.46 0.00 0.00 42.92 39.99 2k2p s ASP 56 CO 0.15 -0.02 1.89 -0.65 0.52 0.00 0.00 175.17 177.06 2k2p h PRO 57 N 8.15 0.64 0.09 4.34 0.11 -1.88 0.24 132.00 143.68 2k2p h PRO 57 Ca -0.39 -0.11 -0.26 0.00 0.11 0.00 0.00 66.00 65.35 2k2p h PRO 57 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2k2p h PRO 57 CO 0.58 0.59 -1.14 0.00 -0.21 0.00 0.00 178.00 177.83 2k2p h ALA 58 N 1.49 0.19 0.00 -0.75 0.00 -1.95 -3.25 119.26 115.00 2k2p h ALA 58 Ca 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k2p h ALA 58 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k2p h ALA 58 CO -0.00 0.91 -1.12 0.45 0.00 0.00 0.00 179.25 179.49 2k2p n SER 59 N -3.61 0.73 -2.75 0.00 2.88 -1.22 -4.98 113.62 104.66 2k2p n SER 59 Ca -0.08 0.26 -0.21 0.00 -1.33 0.00 0.00 58.87 57.51 2k2p n SER 59 Cb 0.96 0.65 0.02 0.00 -0.75 0.00 0.00 64.21 65.09 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 -2.58 -3.94 -4.89 -1.46 3.00 0.82 -4.95 116.66 102.67 2k2p n ARG 60 Ca -0.00 0.91 -0.28 0.00 -0.01 0.00 0.00 57.85 58.47 2k2p n ARG 60 Cb 0.54 -5.66 -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 -3.12 1.56 -0.42 0.55 2.01 -1.11 -0.35 115.64 114.76 2k2p s THR 61 Ca 0.22 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.37 2k2p s THR 61 Cb -0.10 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 71.12 2k2p s THR 61 CO 0.27 0.45 0.26 -0.69 -0.69 0.00 0.00 174.62 174.22 2k2p s VAL 62 N 0.36 4.35 -0.15 3.82 1.01 -0.32 -1.31 120.40 128.17 2k2p s VAL 62 Ca -0.13 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 2k2p s VAL 62 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2k2p s VAL 62 CO 0.05 -0.48 0.15 0.68 0.00 0.00 0.00 175.10 175.50 2k2p s VAL 63 N 1.46 5.46 -0.22 2.92 -7.23 -0.73 -1.45 120.40 120.60 2k2p s VAL 63 Ca 0.03 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.41 2k2p s VAL 63 Cb -0.23 -3.44 0.06 0.00 0.56 0.00 0.00 36.38 33.34 2k2p s VAL 63 CO 0.03 0.55 0.01 0.68 -0.31 0.00 0.00 175.10 176.05 2k2p s VAL 64 N -0.49 0.93 0.34 1.32 -7.23 -0.79 -1.39 120.40 113.09 2k2p s VAL 64 Ca 0.13 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 2k2p s VAL 64 Cb -0.12 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2k2p s VAL 64 CO 0.02 -0.20 0.57 -0.83 -0.31 0.00 0.00 175.10 174.35 2k2p s GLY 65 N 1.66 1.57 0.00 2.32 0.00 -0.93 -1.42 107.32 110.52 2k2p s GLY 65 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2k2p s GLY 65 CO -0.08 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.00 2k2p n GLY 66 N -1.48 0.88 3.26 0.20 0.00 -0.46 -1.82 105.19 105.77 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 -3.51 1.71 -0.14 1.61 -7.23 -1.02 -4.69 120.40 107.14 2k2p s VAL 67 Ca 0.00 -1.21 0.12 0.00 -1.81 0.00 0.00 61.98 59.08 2k2p s VAL 67 Cb 0.00 -1.49 -0.18 0.00 0.56 0.00 0.00 36.38 35.28 2k2p s VAL 67 CO 0.00 0.23 0.32 -1.20 -0.31 0.00 0.00 175.10 174.14 2k2p n SER 68 N 1.86 1.84 -4.28 4.85 7.64 -1.26 -3.37 113.62 120.89 2k2p n SER 68 Ca -0.17 -0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.12 2k2p n SER 68 Cb 0.53 1.43 -0.01 0.00 -1.01 0.00 0.00 64.21 65.15 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 -1.78 4.36 -0.30 6.43 9.92 -1.26 -4.77 116.55 129.15 2k2p n ASP 69 Ca -0.01 -2.87 -0.04 0.00 -0.53 0.00 0.00 54.79 51.34 2k2p n ASP 69 Cb 0.29 -1.69 0.08 0.00 -0.64 0.00 0.00 41.12 39.15 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 7.28 1.05 -0.56 2.24 0.00 -2.00 -2.00 119.26 125.27 2k2p h ALA 70 Ca 0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2k2p h ALA 70 Cb 0.80 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k2p h ALA 70 CO 1.59 0.50 0.06 0.00 0.00 0.00 0.00 179.25 181.40 2k2p h ALA 71 N 1.28 0.75 0.06 0.00 0.00 -1.99 -1.29 119.26 118.07 2k2p h ALA 71 Ca 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k2p h ALA 71 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k2p h ALA 71 CO -0.06 0.52 -0.03 1.25 0.00 0.00 0.00 179.25 180.94 2k2p h HIS 72 N 0.84 -0.07 -0.79 0.00 6.17 -1.91 -2.37 115.15 117.01 2k2p h HIS 72 Ca 0.17 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.28 2k2p h HIS 72 Cb 0.46 0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.36 2k2p h HIS 72 CO 0.03 0.11 0.50 0.82 0.71 0.00 0.00 177.93 180.11 2k2p h ILE 73 N -0.24 1.11 -0.81 6.26 1.08 -1.33 -2.43 117.51 121.15 2k2p h ILE 73 Ca -0.01 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 2k2p h ILE 73 Cb 0.21 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 2k2p h ILE 73 CO 0.01 0.18 0.54 0.00 -0.69 0.00 0.00 178.15 178.19 2k2p h ALA 74 N 1.34 1.45 -0.70 1.87 0.00 -1.11 -1.89 119.26 120.21 2k2p h ALA 74 Ca 0.32 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2k2p h ALA 74 Cb 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2k2p h ALA 74 CO -0.12 0.50 0.16 0.93 0.00 0.00 0.00 179.25 180.73 2k2p h GLU 75 N 1.07 1.13 0.10 0.00 4.39 -0.94 -2.14 114.58 118.19 2k2p h GLU 75 Ca 0.31 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k2p h GLU 75 Cb -0.08 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 2k2p h GLU 75 CO -0.07 1.00 -0.05 0.82 -1.16 0.00 0.00 179.01 179.55 2k2p h ILE 76 N 1.07 1.09 0.00 3.13 2.04 -1.12 -1.93 117.51 121.78 2k2p h ILE 76 Ca 0.22 -0.77 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 2k2p h ILE 76 Cb 0.38 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2k2p h ILE 76 CO 0.00 0.19 -0.55 -0.29 0.00 0.00 0.00 178.15 177.50 2k2p h ILE 77 N -0.49 1.38 0.00 -0.67 2.10 -1.45 -2.42 117.51 115.96 2k2p h ILE 77 Ca -0.01 -1.88 -0.14 0.00 1.08 0.00 0.00 64.86 63.90 2k2p h ILE 77 Cb 0.41 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 38.14 2k2p h ILE 77 CO 0.02 0.54 -0.68 0.00 -1.08 0.00 0.00 178.15 176.95 2k2p h THR 78 N 0.00 1.38 0.00 2.19 1.03 -1.42 -2.66 112.91 113.43 2k2p h THR 78 Ca -0.01 -2.41 -0.05 0.00 -0.01 0.00 0.00 66.41 63.94 2k2p h THR 78 Cb 0.98 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 70.39 2k2p h THR 78 CO 0.07 0.67 -0.23 0.00 -0.01 0.00 0.00 175.52 176.02 2k2p h ALA 79 N 1.32 1.24 0.00 0.00 0.00 -0.94 -1.57 119.26 119.31 2k2p h ALA 79 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 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 0.09 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2k2p n ALA 80 N -2.32 2.16 -0.65 0.00 0.00 -0.95 -4.91 120.51 113.83 2k2p n ALA 80 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k2p n ALA 80 Cb 0.34 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.97 1.01 3.42 0.00 0.00 -0.59 -5.03 105.19 104.97 2k2p n GLY 81 Ca 0.08 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 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 2.26 -0.42 1.61 1.51 -1.03 -5.03 117.35 114.25 2k2p s TYR 82 Ca 0.00 -0.36 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 2k2p s TYR 82 Cb 0.00 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2k2p s TYR 82 CO 0.00 0.51 0.72 0.95 -1.11 0.00 0.00 175.55 176.62 2k2p s THR 83 N -1.81 4.75 -1.29 -0.71 -4.23 -1.26 -3.50 115.64 107.58 2k2p s THR 83 Ca 0.22 0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.94 2k2p s THR 83 Cb -0.07 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.58 2k2p s THR 83 CO 0.10 -0.59 1.78 -0.81 -0.54 0.00 0.00 174.62 174.56 2k2p n PRO 84 N 6.44 3.01 0.00 3.99 -0.04 -1.26 -4.41 135.00 142.73 2k2p n PRO 84 Ca 0.01 -3.16 0.15 0.00 -0.04 0.00 0.00 63.50 60.46 2k2p n PRO 84 Cb 0.48 -3.51 0.79 0.00 -0.04 0.00 0.00 33.50 31.22 2k2p n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85