#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 2.07 3.52 0.00 0.00 -1.26 -4.53 105.19 104.99 2k2p n GLY 23 Ca 0.00 -0.97 -0.43 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 4.34 -0.41 0.99 1.43 -0.59 -4.85 118.68 119.59 2k2p s LEU 24 Ca 0.00 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 2k2p s LEU 24 Cb 0.00 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.40 2k2p s LEU 24 CO 0.00 -0.98 0.61 -0.94 0.23 0.00 0.00 176.35 175.26 2k2p s SER 25 N 2.39 6.33 -0.21 2.29 1.04 -1.26 -1.57 113.70 122.70 2k2p s SER 25 Ca 0.27 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 2k2p s SER 25 Cb -0.13 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2k2p s SER 25 CO 0.20 -0.70 0.04 -0.36 0.98 0.00 0.00 173.24 173.41 2k2p s PHE 26 N 2.69 3.11 0.10 5.02 0.08 -0.50 -4.97 117.98 123.51 2k2p s PHE 26 Ca 0.21 -0.27 -0.26 0.00 0.12 0.00 0.00 56.93 56.74 2k2p s PHE 26 Cb -0.15 -2.13 -0.07 0.00 -0.57 0.00 0.00 43.02 40.11 2k2p s PHE 26 CO 0.17 -0.15 0.79 -1.01 -0.10 0.00 0.00 175.22 174.92 2k2p s HIS 27 N 1.00 3.81 -0.32 0.36 3.76 -1.26 -0.93 115.29 121.71 2k2p s HIS 27 Ca 0.03 1.57 0.05 0.00 -0.15 0.00 0.00 55.06 56.56 2k2p s HIS 27 Cb -0.14 -2.82 0.18 0.00 1.11 0.00 0.00 32.58 30.91 2k2p s HIS 27 CO 0.02 0.37 0.54 0.54 -0.85 0.00 0.00 174.74 175.36 2k2p s VAL 28 N -0.49 -0.87 0.31 -0.90 0.11 0.22 -0.79 120.40 118.00 2k2p s VAL 28 Ca 0.38 -0.14 0.13 0.00 -2.93 0.00 0.00 61.98 59.42 2k2p s VAL 28 Cb -0.22 -0.74 0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2k2p s VAL 28 CO 0.25 -0.11 1.74 -0.08 -3.33 0.00 0.00 175.10 173.57 2k2p h GLU 29 N 7.74 0.00 0.00 1.54 4.57 -1.85 -2.93 114.58 123.64 2k2p h GLU 29 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2k2p h GLU 29 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2k2p h GLU 29 CO 0.17 0.46 0.00 -0.25 -1.18 0.00 0.00 179.01 178.21 2k2p n ASP 30 N -3.91 0.00 -4.62 1.04 8.00 -1.26 -4.70 116.55 111.10 2k2p n ASP 30 Ca -0.01 0.48 -0.43 0.00 0.71 0.00 0.00 54.79 55.54 2k2p n ASP 30 Cb 0.49 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2k2p n ASP 30 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2k2p s MET 31 N -2.98 3.72 0.79 -1.24 1.75 -1.11 -5.03 119.30 115.19 2k2p s MET 31 Ca 0.10 1.32 -0.12 0.00 -1.25 0.00 0.00 55.69 55.75 2k2p s MET 31 Cb 0.14 -4.01 0.06 0.00 2.84 0.00 0.00 34.83 33.86 2k2p s MET 31 CO 0.38 -1.38 1.12 0.95 -0.65 0.00 0.00 175.02 175.43 2k2p s THR 32 N 5.22 2.86 0.00 10.11 -4.23 -1.26 -4.95 115.64 123.39 2k2p s THR 32 Ca 0.65 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 2k2p s THR 32 Cb -0.19 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2k2p s THR 32 CO 0.29 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.00 2k2p n GLY 34 N 0.00 -0.09 0.20 0.00 0.00 -1.26 -0.98 105.19 103.07 2k2p n GLY 34 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.65 0.00 1.61 -0.00 -2.04 -3.41 115.15 111.96 2k2p h HIS 35 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2k2p h HIS 35 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 2k2p h HIS 35 CO 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 177.93 178.50 2k2p h ALA 37 N 0.00 1.23 -0.00 0.00 0.00 -1.10 -2.97 119.26 116.42 2k2p h ALA 37 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k2p h ALA 37 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k2p h ALA 37 CO 0.00 0.55 0.02 0.78 0.00 0.00 0.00 179.25 180.60 2k2p h GLY 38 N 1.26 0.00 0.93 0.00 0.00 -1.83 -1.43 103.07 102.00 2k2p h GLY 38 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2k2p h GLY 38 CO 0.06 0.00 0.04 -2.08 0.00 0.00 0.00 176.54 174.56 2k2p h VAL 39 N 0.00 1.25 0.23 4.60 2.07 -1.89 0.11 116.25 122.62 2k2p h VAL 39 Ca 0.00 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2k2p h VAL 39 Cb 0.05 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k2p h VAL 39 CO -0.00 0.30 -0.11 0.40 0.02 0.00 0.00 177.57 178.18 2k2p h ILE 40 N 0.48 0.78 -0.00 4.57 2.04 -1.50 -2.44 117.51 121.44 2k2p h ILE 40 Ca 0.11 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2k2p h ILE 40 Cb 0.39 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2k2p h ILE 40 CO 0.01 0.17 -0.13 0.11 0.00 0.00 0.00 178.15 178.31 2k2p h LYS 41 N -0.80 -0.21 -0.88 2.37 1.57 -1.36 -2.12 116.57 115.14 2k2p h LYS 41 Ca -0.03 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2k2p h LYS 41 Cb 0.51 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2k2p h LYS 41 CO 0.05 -0.14 0.46 0.78 -0.57 0.00 0.00 179.45 180.03 2k2p h GLY 42 N -0.22 1.32 0.69 3.86 0.00 -1.11 -2.20 103.07 105.41 2k2p h GLY 42 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.77 2k2p h GLY 42 CO -0.13 0.59 -0.20 0.00 0.00 0.00 0.00 176.54 176.80 2k2p h ALA 43 N 1.25 -0.36 -0.87 3.60 0.00 -0.92 -1.73 119.26 120.23 2k2p h ALA 43 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2k2p h ALA 43 Cb 0.06 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2k2p h ALA 43 CO -0.05 -0.74 0.44 0.82 0.00 0.00 0.00 179.25 179.72 2k2p h ILE 44 N -0.40 1.26 0.04 0.00 2.04 -1.29 -2.55 117.51 116.61 2k2p h ILE 44 Ca 0.02 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2k2p h ILE 44 Cb 0.41 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2k2p h ILE 44 CO -0.09 0.31 -0.02 -0.33 0.00 0.00 0.00 178.15 178.01 2k2p h GLU 45 N 1.23 -0.05 0.00 2.37 5.08 -1.17 -0.20 114.58 121.83 2k2p h GLU 45 Ca 0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 2k2p h GLU 45 Cb 0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2k2p h GLU 45 CO -0.04 0.06 -0.53 0.87 -1.00 0.00 0.00 179.01 178.37 2k2p h LYS 46 N -0.16 0.00 0.17 2.33 6.56 -1.24 -3.11 116.57 121.12 2k2p h LYS 46 Ca -0.01 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 2k2p h LYS 46 Cb 0.14 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2k2p h LYS 46 CO 0.01 0.53 -1.63 1.15 -2.06 0.00 0.00 179.45 177.45 2k2p h THR 47 N 0.00 0.99 -3.45 -0.16 2.02 -1.49 -3.44 112.91 107.38 2k2p h THR 47 Ca -0.01 -2.49 -0.61 0.00 0.77 0.00 0.00 66.41 64.07 2k2p h THR 47 Cb 1.06 2.78 -0.39 0.00 -1.74 0.00 0.00 68.15 69.85 2k2p h THR 47 CO 0.07 0.82 -0.76 -0.69 0.37 0.00 0.00 175.52 175.33 2k2p s VAL 48 N -2.55 1.43 0.27 3.16 1.01 -0.09 -5.11 120.40 118.52 2k2p s VAL 48 Ca -0.17 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 2k2p s VAL 48 Cb 0.05 -1.94 -0.10 0.00 0.00 0.00 0.00 36.38 34.39 2k2p s VAL 48 CO 0.84 -0.46 1.36 -2.84 0.00 0.00 0.00 175.10 174.00 2k2p s PRO 49 N 1.37 4.33 0.00 2.72 0.02 -1.18 -3.57 135.00 138.69 2k2p s PRO 49 Ca 0.05 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2k2p s PRO 49 Cb -0.18 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2k2p s PRO 49 CO -0.14 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2k2p n GLY 50 N 1.76 0.67 3.58 0.52 0.00 -1.26 -5.03 105.19 105.43 2k2p n GLY 50 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.37 2.94 -0.72 4.61 0.00 -1.23 -4.57 121.76 120.42 2k2p s ALA 51 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 2k2p s ALA 51 Cb 0.00 -4.04 0.02 0.00 0.00 0.00 0.00 23.12 19.10 2k2p s ALA 51 CO 0.00 -2.70 1.45 0.00 0.00 0.00 0.00 175.76 174.51 2k2p s ALA 52 N 5.46 2.58 -0.10 0.00 0.00 -0.52 -4.75 121.76 124.44 2k2p s ALA 52 Ca 0.50 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 2k2p s ALA 52 Cb -0.10 -4.29 -0.03 0.00 0.00 0.00 0.00 23.12 18.71 2k2p s ALA 52 CO 0.27 -3.48 0.77 0.14 0.00 0.00 0.00 175.76 173.46 2k2p s VAL 53 N 6.66 4.97 -0.34 0.00 -7.23 -1.26 -1.68 120.40 121.52 2k2p s VAL 53 Ca 0.44 1.56 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 2k2p s VAL 53 Cb -0.09 -4.10 0.11 0.00 0.56 0.00 0.00 36.38 32.86 2k2p s VAL 53 CO 0.15 0.16 0.14 -2.28 -0.31 0.00 0.00 175.10 172.96 2k2p s HIS 54 N 1.34 1.76 -0.37 2.82 2.46 -0.11 -4.96 115.29 118.23 2k2p s HIS 54 Ca 0.39 -1.92 -0.19 0.00 0.47 0.00 0.00 55.06 53.81 2k2p s HIS 54 Cb -0.18 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 2k2p s HIS 54 CO 0.17 -0.85 0.53 0.00 -2.47 0.00 0.00 174.74 172.12 2k2p s ALA 55 N 1.26 3.45 -0.35 1.58 0.00 -1.26 -1.19 121.76 125.25 2k2p s ALA 55 Ca 0.12 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 2k2p s ALA 55 Cb -0.19 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2k2p s ALA 55 CO -0.17 -1.36 0.26 0.34 0.00 0.00 0.00 175.76 174.83 2k2p s ASP 56 N 1.81 6.08 0.24 0.00 -1.08 -0.50 -4.97 116.67 118.24 2k2p s ASP 56 Ca 0.19 -0.45 -0.07 0.00 -0.52 0.00 0.00 52.55 51.70 2k2p s ASP 56 Cb -0.15 -2.15 0.23 0.00 -1.46 0.00 0.00 42.92 39.39 2k2p s ASP 56 CO 0.14 -0.27 1.90 -0.65 0.52 0.00 0.00 175.17 176.81 2k2p h PRO 57 N 8.50 1.26 -0.02 4.34 0.11 -1.90 0.17 132.00 144.46 2k2p h PRO 57 Ca -0.31 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 2k2p h PRO 57 Cb 1.15 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2k2p h PRO 57 CO 0.65 0.86 -0.19 0.00 -0.21 0.00 0.00 178.00 179.11 2k2p h ALA 58 N 1.32 0.05 0.00 -0.75 0.00 -1.95 -3.29 119.26 114.64 2k2p h ALA 58 Ca 0.34 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k2p h ALA 58 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k2p h ALA 58 CO -0.07 0.04 -0.10 0.77 0.00 0.00 0.00 179.25 179.89 2k2p h SER 59 N -0.45 0.00 -2.46 0.00 0.02 -1.98 -3.47 113.55 105.21 2k2p h SER 59 Ca -0.02 -0.03 -0.36 0.00 -0.84 0.00 0.00 61.79 60.55 2k2p h SER 59 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2k2p h SER 59 CO 0.04 0.01 -0.45 0.54 -1.14 0.00 0.00 176.83 175.83 2k2p n ARG 60 N -2.37 -1.42 -4.32 3.45 5.12 0.59 -4.90 116.66 112.81 2k2p n ARG 60 Ca 0.05 0.88 -0.31 0.00 -1.93 0.00 0.00 57.85 56.55 2k2p n ARG 60 Cb 0.45 -5.37 -0.16 0.00 -1.16 0.00 0.00 32.46 26.22 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 -2.88 1.76 -0.46 0.55 2.01 -1.15 -0.61 115.64 114.86 2k2p s THR 61 Ca 0.00 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 2k2p s THR 61 Cb 0.00 -1.60 0.06 0.00 0.01 0.00 0.00 72.50 70.97 2k2p s THR 61 CO 0.00 0.49 0.41 -0.69 -0.69 0.00 0.00 174.62 174.14 2k2p s VAL 62 N 1.14 5.19 -0.25 3.82 1.01 -0.11 -1.41 120.40 129.79 2k2p s VAL 62 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2k2p s VAL 62 Cb -0.14 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2k2p s VAL 62 CO -0.06 -0.55 0.16 -0.69 0.00 0.00 0.00 175.10 173.96 2k2p s VAL 63 N 1.80 5.27 -0.33 2.92 1.01 -0.33 -1.42 120.40 129.32 2k2p s VAL 63 Ca 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2k2p s VAL 63 Cb -0.22 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2k2p s VAL 63 CO 0.08 0.32 0.08 0.68 0.00 0.00 0.00 175.10 176.26 2k2p s VAL 64 N 1.31 3.48 0.25 2.92 -7.23 -0.61 -0.94 120.40 119.58 2k2p s VAL 64 Ca 0.07 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2k2p s VAL 64 Cb -0.14 -3.02 -0.07 0.00 0.56 0.00 0.00 36.38 33.71 2k2p s VAL 64 CO 0.07 -0.21 0.57 -0.83 -0.31 0.00 0.00 175.10 174.39 2k2p s GLY 65 N 1.42 2.21 0.00 2.32 0.00 -0.68 -1.54 107.32 111.06 2k2p s GLY 65 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2k2p s GLY 65 CO 0.01 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.58 2k2p n GLY 66 N -0.31 3.17 3.78 0.20 0.00 -1.26 -1.43 105.19 109.33 2k2p n GLY 66 Ca 0.01 0.00 -0.29 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 -2.31 4.52 0.00 1.61 -7.23 -1.26 -5.00 120.40 110.73 2k2p s VAL 67 Ca 0.00 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2k2p s VAL 67 Cb 0.00 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2k2p s VAL 67 CO 0.00 0.07 0.25 -1.20 -0.31 0.00 0.00 175.10 173.91 2k2p n SER 68 N 0.27 0.49 -4.03 4.85 7.64 -1.26 -4.49 113.62 117.10 2k2p n SER 68 Ca -0.09 -0.83 -0.43 0.00 1.01 0.00 0.00 58.87 58.54 2k2p n SER 68 Cb 0.52 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.17 4.92 0.23 6.43 5.75 -1.26 -4.80 116.55 127.65 2k2p n ASP 69 Ca 0.00 -3.03 0.06 0.00 -0.01 0.00 0.00 54.79 51.82 2k2p n ASP 69 Cb 0.06 -1.55 0.53 0.00 -1.03 0.00 0.00 41.12 39.14 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 6.22 1.61 -0.05 2.12 0.00 -1.99 -2.45 119.26 124.73 2k2p h ALA 70 Ca 0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2k2p h ALA 70 Cb 0.70 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k2p h ALA 70 CO 1.57 0.23 0.02 0.00 0.00 0.00 0.00 179.25 181.07 2k2p h ALA 71 N 1.82 0.06 0.46 0.00 0.00 -2.00 -1.68 119.26 117.92 2k2p h ALA 71 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k2p h ALA 71 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k2p h ALA 71 CO 0.02 -0.34 -0.25 0.45 0.00 0.00 0.00 179.25 179.14 2k2p h HIS 72 N -0.10 -0.64 -0.99 0.00 -0.00 -1.90 -2.76 115.15 108.76 2k2p h HIS 72 Ca 0.02 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2k2p h HIS 72 Cb 0.19 0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 27.76 2k2p h HIS 72 CO -0.01 -0.39 0.64 0.82 -0.00 0.00 0.00 177.93 178.99 2k2p h ILE 73 N -0.66 1.11 -0.98 2.45 1.08 -1.48 -1.14 117.51 117.91 2k2p h ILE 73 Ca -0.06 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2k2p h ILE 73 Cb 0.52 -0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.05 2k2p h ILE 73 CO 0.08 0.22 0.63 0.00 -0.69 0.00 0.00 178.15 178.38 2k2p h ALA 74 N 1.43 1.24 -0.10 1.87 0.00 -1.24 -1.58 119.26 120.88 2k2p h ALA 74 Ca 0.41 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2k2p h ALA 74 Cb 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2k2p h ALA 74 CO -0.16 0.66 -0.38 0.93 0.00 0.00 0.00 179.25 180.31 2k2p h GLU 75 N 1.34 0.21 -0.01 0.00 4.39 -0.93 -2.68 114.58 116.90 2k2p h GLU 75 Ca 0.36 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 2k2p h GLU 75 Cb -0.12 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2k2p h GLU 75 CO -0.07 0.56 -0.13 0.82 -1.16 0.00 0.00 179.01 179.03 2k2p h ILE 76 N 0.18 1.55 -0.13 3.13 2.04 -0.76 -2.20 117.51 121.32 2k2p h ILE 76 Ca 0.02 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.00 2k2p h ILE 76 Cb 0.75 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 2k2p h ILE 76 CO 0.06 0.48 -0.31 -0.29 0.00 0.00 0.00 178.15 178.09 2k2p h ILE 77 N -0.57 1.27 -0.01 -0.67 2.10 -1.37 -2.12 117.51 116.14 2k2p h ILE 77 Ca -0.01 -1.27 -0.17 0.00 1.08 0.00 0.00 64.86 64.49 2k2p h ILE 77 Cb 0.85 1.52 -0.02 0.00 -1.09 0.00 0.00 36.82 38.08 2k2p h ILE 77 CO 0.03 0.38 -0.78 0.00 -1.08 0.00 0.00 178.15 176.70 2k2p h THR 78 N 0.22 1.52 0.00 2.19 1.03 -1.56 -3.03 112.91 113.27 2k2p h THR 78 Ca 0.03 -2.55 0.00 0.00 -0.01 0.00 0.00 66.41 63.88 2k2p h THR 78 Cb 0.66 2.38 0.00 0.00 -1.07 0.00 0.00 68.15 70.13 2k2p h THR 78 CO 0.05 0.73 0.00 0.00 -0.01 0.00 0.00 175.52 176.29 2k2p h ALA 79 N 1.16 1.00 0.00 0.00 0.00 -0.77 -2.51 119.26 118.14 2k2p h ALA 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k2p h ALA 79 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k2p h ALA 79 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2k2p n ALA 80 N -2.00 2.44 -0.21 0.00 0.00 -0.87 -4.85 120.51 115.02 2k2p n ALA 80 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k2p n ALA 80 Cb 0.26 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.57 0.88 3.74 0.00 0.00 -0.95 -4.84 105.19 104.59 2k2p n GLY 81 Ca 0.18 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 1.86 -0.15 1.61 1.51 -1.17 -5.08 117.35 113.93 2k2p s TYR 82 Ca 0.00 -0.98 -0.04 0.00 -1.01 0.00 0.00 57.07 55.04 2k2p s TYR 82 Cb 0.00 -1.58 0.05 0.00 -0.11 0.00 0.00 41.96 40.33 2k2p s TYR 82 CO 0.00 0.19 0.08 0.99 -1.11 0.00 0.00 175.55 175.70 2k2p s THR 83 N -2.90 -0.03 -0.04 -0.71 2.01 -1.26 -4.23 115.64 108.48 2k2p s THR 83 Ca 0.07 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2k2p s THR 83 Cb 0.02 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.92 2k2p s THR 83 CO 0.04 -0.19 1.67 -2.16 -0.69 0.00 0.00 174.62 173.29 2k2p s PRO 84 N 2.12 4.18 0.00 4.92 0.04 -1.26 -4.74 135.00 140.26 2k2p s PRO 84 Ca 0.02 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2k2p s PRO 84 Cb -0.15 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2k2p s PRO 84 CO -0.08 -0.84 0.22 -0.85 0.04 0.00 0.00 177.00 175.49