#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9p s PRO 2 N 0.00 4.52 0.22 -0.41 0.04 -1.26 -4.89 135.00 133.22 2c9p s PRO 2 Ca 0.00 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.91 2c9p s PRO 2 Cb 0.00 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 2c9p s PRO 2 CO 0.00 -0.06 -0.15 -1.59 0.04 0.00 0.00 177.00 175.24 2c9p s LYS 3 N 0.03 1.41 -0.34 4.56 -2.85 -1.26 -4.87 119.74 116.42 2c9p s LYS 3 Ca 0.53 -1.64 -0.29 0.00 -1.00 0.00 0.00 55.97 53.57 2c9p s LYS 3 Cb -0.30 -1.24 0.00 0.00 -2.06 0.00 0.00 37.83 34.23 2c9p s LYS 3 CO 0.34 0.20 1.36 -1.17 0.10 0.00 0.00 175.35 176.18 2c9p s LEU 4 N -3.36 3.76 -0.10 2.77 2.96 -1.26 -1.89 118.68 121.56 2c9p s LEU 4 Ca 0.24 1.07 -0.26 0.00 -0.22 0.00 0.00 54.13 54.96 2c9p s LEU 4 Cb -0.01 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.86 2c9p s LEU 4 CO 0.09 -1.23 0.82 0.58 -1.32 0.00 0.00 176.35 175.29 2c9p h VAL 5 N 6.17 1.67 -2.91 1.68 2.07 -1.06 -3.48 116.25 120.39 2c9p h VAL 5 Ca -0.27 -2.43 0.07 0.00 0.82 0.00 0.00 66.70 64.89 2c9p h VAL 5 Cb 1.10 3.31 -0.07 0.00 -1.52 0.00 0.00 31.29 34.12 2c9p h VAL 5 CO 1.05 0.66 0.26 -0.94 0.02 0.00 0.00 177.57 178.62 2c9p s SER 6 N -6.55 -0.30 0.11 0.57 1.04 -1.05 -5.03 113.70 102.48 2c9p s SER 6 Ca -0.17 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.60 2c9p s SER 6 Cb -0.01 0.67 0.04 0.00 0.10 0.00 0.00 66.02 66.82 2c9p s SER 6 CO 0.75 -1.22 0.46 -0.94 0.98 0.00 0.00 173.24 173.27 2c9p s SER 7 N -2.88 -0.34 -0.15 7.02 1.04 -1.26 -0.57 113.70 116.55 2c9p s SER 7 Ca 0.09 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 2c9p s SER 7 Cb -0.05 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.61 2c9p s SER 7 CO 0.03 -0.82 -0.05 0.42 0.98 0.00 0.00 173.24 173.79 2c9p s THR 8 N -3.37 1.05 0.81 2.02 -4.23 -0.21 -2.92 115.64 108.79 2c9p s THR 8 Ca -0.00 -0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 2c9p s THR 8 Cb 0.01 -1.20 0.09 0.00 1.34 0.00 0.00 72.50 72.73 2c9p s THR 8 CO -0.09 0.18 1.13 -2.84 -0.54 0.00 0.00 174.62 172.46 2c9p s PRO 9 N 1.67 1.80 0.63 3.99 0.02 -1.26 -1.37 135.00 140.48 2c9p s PRO 9 Ca 0.02 1.41 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 2c9p s PRO 9 Cb -0.15 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 2c9p s PRO 9 CO -0.08 -2.03 1.04 0.00 -0.33 0.00 0.00 177.00 175.60 2c9p s ALA 10 N -2.65 3.08 0.15 -1.55 0.00 -1.15 -4.96 121.76 114.68 2c9p s ALA 10 Ca 0.65 -0.12 -0.34 0.00 0.00 0.00 0.00 51.96 52.15 2c9p s ALA 10 Cb -0.21 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 2c9p s ALA 10 CO 0.54 -0.74 1.55 -1.91 0.00 0.00 0.00 175.76 175.20 2c9p n GLU 11 N -2.78 2.05 -0.91 0.00 4.07 -1.26 -1.91 120.64 119.90 2c9p n GLU 11 Ca 0.06 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 2c9p n GLU 11 Cb 0.54 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 2c9p n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2c9p n GLY 12 N 3.31 0.77 3.78 8.31 0.00 -0.25 -5.00 105.19 116.11 2c9p n GLY 12 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2c9p n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9p s SER 13 N -2.74 5.73 -0.07 1.61 1.04 -0.80 -4.84 113.70 113.63 2c9p s SER 13 Ca 0.00 2.01 0.01 0.00 0.48 0.00 0.00 55.95 58.45 2c9p s SER 13 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.58 2c9p s SER 13 CO 0.00 -1.21 -0.06 -1.61 0.98 0.00 0.00 173.24 171.34 2c9p s GLU 14 N -3.61 1.16 0.00 4.02 2.02 -1.26 -1.40 118.70 119.63 2c9p s GLU 14 Ca 0.68 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.50 2c9p s GLU 14 Cb -0.20 -1.17 0.00 0.00 0.10 0.00 0.00 34.13 32.87 2c9p s GLU 14 CO 0.31 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2c9p n GLY 15 N 4.38 0.96 3.65 -1.39 0.00 -1.09 -5.02 105.19 106.68 2c9p n GLY 15 Ca -0.19 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2c9p n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9p s ALA 16 N -1.00 1.02 0.04 4.61 0.00 -1.26 -1.92 121.76 123.25 2c9p s ALA 16 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2c9p s ALA 16 Cb 0.00 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2c9p s ALA 16 CO 0.00 -2.82 1.52 0.00 0.00 0.00 0.00 175.76 174.46 2c9p s ALA 17 N -2.75 3.64 0.24 0.00 0.00 -1.26 -4.79 121.76 116.83 2c9p s ALA 17 Ca 0.65 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.37 2c9p s ALA 17 Cb -0.21 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 2c9p s ALA 17 CO 0.59 -0.99 0.99 -1.25 0.00 0.00 0.00 175.76 175.10 2c9p s PRO 18 N 2.44 4.78 0.37 0.00 0.04 -1.26 -4.95 135.00 136.42 2c9p s PRO 18 Ca 0.69 1.59 0.11 0.00 0.04 0.00 0.00 61.00 63.42 2c9p s PRO 18 Cb -0.36 -3.26 0.72 0.00 0.04 0.00 0.00 34.50 31.64 2c9p s PRO 18 CO 0.29 0.40 1.84 0.00 0.04 0.00 0.00 177.00 179.58 2c9p h ALA 19 N 4.16 1.40 -2.66 8.56 0.00 -1.97 -3.44 119.26 125.31 2c9p h ALA 19 Ca -0.45 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 2c9p h ALA 19 Cb 1.20 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2c9p h ALA 19 CO 0.68 0.43 -0.06 -1.59 0.00 0.00 0.00 179.25 178.71 2c9p s LYS 20 N -4.38 1.02 -0.16 0.00 -2.85 -1.26 -4.39 119.74 107.71 2c9p s LYS 20 Ca -0.04 -0.53 -0.03 0.00 -1.00 0.00 0.00 55.97 54.37 2c9p s LYS 20 Cb 0.15 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 2c9p s LYS 20 CO 0.73 -0.38 -0.06 0.42 0.10 0.00 0.00 175.35 176.16 2c9p s ILE 21 N -3.21 3.61 -0.12 3.79 1.01 0.17 -4.72 121.20 121.73 2c9p s ILE 21 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2c9p s ILE 21 Cb 0.01 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2c9p s ILE 21 CO -0.08 0.49 -0.16 -1.61 0.00 0.00 0.00 174.94 173.58 2c9p s GLU 22 N 0.55 3.22 -0.13 2.79 2.02 -0.47 -0.05 118.70 126.64 2c9p s GLU 22 Ca -0.04 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.22 2c9p s GLU 22 Cb -0.15 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 2c9p s GLU 22 CO 0.03 0.24 -0.16 -0.51 0.02 0.00 0.00 175.26 174.88 2c9p s LEU 23 N 0.25 2.50 -0.17 1.80 1.43 0.10 -1.05 118.68 123.55 2c9p s LEU 23 Ca -0.11 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2c9p s LEU 23 Cb -0.16 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2c9p s LEU 23 CO 0.06 0.14 -0.08 -1.00 0.23 0.00 0.00 176.35 175.70 2c9p s HIS 24 N 0.48 2.91 0.30 0.29 3.76 0.26 -0.01 115.29 123.28 2c9p s HIS 24 Ca -0.11 -0.74 0.09 0.00 -0.15 0.00 0.00 55.06 54.15 2c9p s HIS 24 Cb -0.16 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 2c9p s HIS 24 CO 0.05 -0.34 0.09 -0.06 -0.85 0.00 0.00 174.74 173.63 2c9p s PHE 25 N 0.85 2.75 -0.69 1.40 0.08 0.81 -0.44 117.98 122.75 2c9p s PHE 25 Ca -0.02 -0.29 0.25 0.00 0.12 0.00 0.00 56.93 57.00 2c9p s PHE 25 Cb -0.15 -1.43 0.88 0.00 -0.57 0.00 0.00 43.02 41.75 2c9p s PHE 25 CO 0.01 0.47 1.76 -1.13 -0.10 0.00 0.00 175.22 176.24 2c9p n SER 26 N -1.05 0.70 -4.08 1.36 3.41 -0.79 -4.80 113.62 108.37 2c9p n SER 26 Ca -0.05 0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 2c9p n SER 26 Cb 0.60 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.67 2c9p n SER 26 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2c9p s GLU 27 N -3.15 0.57 0.27 4.33 2.12 -1.26 -4.97 118.70 116.61 2c9p s GLU 27 Ca 0.09 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 2c9p s GLU 27 Cb 0.12 -0.30 -0.10 0.00 0.26 0.00 0.00 34.13 34.11 2c9p s GLU 27 CO 0.53 0.05 1.29 -0.80 -0.54 0.00 0.00 175.26 175.78 2c9p s ASN 28 N -1.76 6.89 0.04 -1.70 0.01 -1.26 -4.52 114.94 112.63 2c9p s ASN 28 Ca -0.07 2.51 -0.02 0.00 -0.71 0.00 0.00 52.86 54.57 2c9p s ASN 28 Cb -0.08 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 2c9p s ASN 28 CO -0.00 -0.48 0.22 -0.76 -1.51 0.00 0.00 177.10 174.57 2c9p s LEU 29 N -0.99 4.36 -0.37 0.60 1.43 -0.47 -4.32 118.68 118.92 2c9p s LEU 29 Ca 0.52 0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 2c9p s LEU 29 Cb -0.37 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.03 2c9p s LEU 29 CO 0.45 0.20 0.92 -0.69 0.23 0.00 0.00 176.35 177.46 2c9p s VAL 30 N -1.43 4.59 0.18 -1.59 1.01 0.11 -4.94 120.40 118.33 2c9p s VAL 30 Ca 0.32 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.33 2c9p s VAL 30 Cb -0.13 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 32.00 2c9p s VAL 30 CO 0.23 -0.54 1.76 0.74 0.00 0.00 0.00 175.10 177.28 2c9p h THR 31 N 5.83 0.87 0.00 3.92 2.02 -1.90 -1.12 112.91 122.53 2c9p h THR 31 Ca -0.23 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2c9p h THR 31 Cb 1.08 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2c9p h THR 31 CO 0.98 0.07 -0.17 0.06 0.37 0.00 0.00 175.52 176.83 2c9p h GLN 32 N 0.38 0.00 0.00 6.66 3.07 -1.96 -2.84 115.11 120.42 2c9p h GLN 32 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 2c9p h GLN 32 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 2c9p h GLN 32 CO -0.21 0.17 -1.34 1.19 0.09 0.00 0.00 178.83 178.73 2c9p n PHE 33 N -3.64 0.00 -3.72 0.06 0.99 -1.00 -4.98 117.46 105.18 2c9p n PHE 33 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.17 2c9p n PHE 33 Cb 0.30 -0.19 -0.03 0.00 -1.00 0.00 0.00 39.48 38.56 2c9p n PHE 33 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2c9p s SER 34 N -3.46 6.38 0.00 4.37 0.01 -0.46 -4.65 113.70 115.89 2c9p s SER 34 Ca 0.01 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2c9p s SER 34 Cb 0.14 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.37 2c9p s SER 34 CO 0.83 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.05 2c9p n GLY 35 N -0.69 -1.24 3.52 3.44 0.00 -0.41 -4.88 105.19 104.93 2c9p n GLY 35 Ca -0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2c9p n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9p s ALA 36 N -1.21 -1.85 -0.01 4.61 0.00 -1.26 0.41 121.76 122.46 2c9p s ALA 36 Ca 0.00 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2c9p s ALA 36 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 2c9p s ALA 36 CO 0.00 -0.58 -0.17 -1.59 0.00 0.00 0.00 175.76 173.43 2c9p s LYS 37 N -2.51 1.34 -0.16 0.00 -2.85 0.04 -4.91 119.74 110.68 2c9p s LYS 37 Ca 0.02 -0.63 -0.07 0.00 -1.00 0.00 0.00 55.97 54.30 2c9p s LYS 37 Cb -0.01 -1.31 -0.04 0.00 -2.06 0.00 0.00 37.83 34.41 2c9p s LYS 37 CO -0.05 0.36 0.09 -1.17 0.10 0.00 0.00 175.35 174.67 2c9p s LEU 38 N -0.47 4.00 -0.04 2.77 2.96 -1.26 -0.74 118.68 125.89 2c9p s LEU 38 Ca 0.06 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2c9p s LEU 38 Cb -0.07 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.63 2c9p s LEU 38 CO -0.00 0.25 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 2c9p s VAL 39 N -0.07 0.84 -0.16 1.68 1.01 -0.16 -0.24 120.40 123.30 2c9p s VAL 39 Ca 0.08 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 2c9p s VAL 39 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2c9p s VAL 39 CO 0.01 0.27 0.67 -0.32 0.00 0.00 0.00 175.10 175.73 2c9p s MET 40 N 0.42 4.28 -0.02 2.72 1.75 -0.28 -0.45 119.30 127.72 2c9p s MET 40 Ca -0.07 0.72 0.21 0.00 -1.25 0.00 0.00 55.69 55.30 2c9p s MET 40 Cb -0.11 -3.54 -0.30 0.00 2.84 0.00 0.00 34.83 33.71 2c9p s MET 40 CO 0.01 -0.17 0.61 0.25 -0.65 0.00 0.00 175.02 175.07 2c9p n THR 41 N 4.46 0.00 -3.55 10.11 -2.24 -0.50 -1.32 114.28 121.23 2c9p n THR 41 Ca -0.01 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 2c9p n THR 41 Cb 0.50 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 2c9p n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c9p s ALA 42 N -3.32 -1.90 0.10 6.98 0.00 -1.19 -1.81 121.76 120.62 2c9p s ALA 42 Ca -0.03 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 2c9p s ALA 42 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2c9p s ALA 42 CO 0.88 -0.46 0.05 0.00 0.00 0.00 0.00 175.76 176.24 2c9p s MET 43 N -1.87 0.81 0.27 0.00 0.23 -1.26 -0.73 119.30 116.75 2c9p s MET 43 Ca 0.01 -1.28 -0.31 0.00 -1.03 0.00 0.00 55.69 53.08 2c9p s MET 43 Cb -0.01 0.25 -0.12 0.00 -1.53 0.00 0.00 34.83 33.43 2c9p s MET 43 CO -0.02 -0.21 1.64 -2.30 -2.03 0.00 0.00 175.02 172.09 2c9p n PRO 44 N -0.02 2.74 -0.85 3.16 -0.02 -1.26 -2.96 135.00 135.79 2c9p n PRO 44 Ca -0.10 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2c9p n PRO 44 Cb 0.62 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2c9p n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c9p n GLY 45 N 2.65 0.87 3.26 -1.23 0.00 -1.26 -5.01 105.19 104.46 2c9p n GLY 45 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 2c9p n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2c9p s MET 46 N -0.15 1.08 0.68 1.61 -1.94 -1.16 -5.14 119.30 114.29 2c9p s MET 46 Ca 0.00 -1.37 -0.13 0.00 -1.71 0.00 0.00 55.69 52.48 2c9p s MET 46 Cb 0.00 -0.83 0.01 0.00 2.01 0.00 0.00 34.83 36.02 2c9p s MET 46 CO 0.00 0.14 1.09 -1.83 -0.01 0.00 0.00 175.02 174.41 2c9p s GLU 47 N -3.20 2.76 0.26 2.03 -1.05 -1.26 -4.58 118.70 113.65 2c9p s GLU 47 Ca 0.14 1.25 -0.30 0.00 -0.15 0.00 0.00 54.97 55.90 2c9p s GLU 47 Cb -0.02 -1.95 -0.11 0.00 -0.44 0.00 0.00 34.13 31.61 2c9p s GLU 47 CO 0.03 -1.27 1.54 -1.01 0.95 0.00 0.00 175.26 175.50 2c9p s HIS 48 N -2.59 2.89 -0.29 4.83 3.76 -1.26 -4.76 115.29 117.86 2c9p s HIS 48 Ca 0.64 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 56.39 2c9p s HIS 48 Cb -0.18 -3.97 0.19 0.00 1.11 0.00 0.00 32.58 29.74 2c9p s HIS 48 CO 0.46 -3.28 0.65 0.45 -0.85 0.00 0.00 174.74 172.18 2c9p s SER 49 N 0.54 -1.40 0.25 1.40 0.15 -0.75 -5.02 113.70 108.88 2c9p s SER 49 Ca 0.63 0.41 -0.31 0.00 0.70 0.00 0.00 55.95 57.38 2c9p s SER 49 Cb -0.45 1.99 -0.12 0.00 -1.71 0.00 0.00 66.02 65.72 2c9p s SER 49 CO 0.44 -0.26 1.64 -2.65 1.20 0.00 0.00 173.24 173.61 2c9p n PRO 50 N 5.40 2.67 -3.71 5.44 -0.02 -1.26 -4.51 135.00 139.02 2c9p n PRO 50 Ca 0.03 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.35 2c9p n PRO 50 Cb 0.53 -2.76 -0.12 0.00 -0.02 0.00 0.00 33.50 31.13 2c9p n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9p s MET 51 N 0.25 0.27 0.30 -0.52 0.23 -0.44 -5.00 119.30 114.40 2c9p s MET 51 Ca 0.69 0.65 -0.30 0.00 -1.03 0.00 0.00 55.69 55.71 2c9p s MET 51 Cb -0.52 -0.07 -0.12 0.00 -1.53 0.00 0.00 34.83 32.60 2c9p s MET 51 CO 0.41 -0.17 1.58 0.00 -2.03 0.00 0.00 175.02 174.81 2c9p n ALA 52 N 4.36 2.52 -2.73 3.16 0.00 -1.26 -1.13 120.51 125.43 2c9p n ALA 52 Ca -0.23 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2c9p n ALA 52 Cb 0.53 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 2c9p n ALA 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2c9p s VAL 53 N -0.16 5.35 -0.20 0.00 1.01 0.67 -4.85 120.40 122.23 2c9p s VAL 53 Ca 0.63 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 2c9p s VAL 53 Cb -0.49 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2c9p s VAL 53 CO 0.51 0.46 1.87 -0.75 0.00 0.00 0.00 175.10 177.19 2c9p s LYS 54 N 0.01 3.60 0.04 2.72 2.20 -1.26 -4.60 119.74 122.45 2c9p s LYS 54 Ca 0.14 1.88 -0.23 0.00 -0.36 0.00 0.00 55.97 57.40 2c9p s LYS 54 Cb -0.13 -4.18 0.06 0.00 -1.51 0.00 0.00 37.83 32.07 2c9p s LYS 54 CO 0.03 -1.55 0.54 0.00 -0.36 0.00 0.00 175.35 174.01 2c9p s ALA 55 N 6.20 -1.39 0.06 3.13 0.00 -1.26 -0.76 121.76 127.73 2c9p s ALA 55 Ca 0.84 0.67 0.03 0.00 0.00 0.00 0.00 51.96 53.49 2c9p s ALA 55 Cb -0.30 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2c9p s ALA 55 CO 0.34 -0.51 0.03 0.00 0.00 0.00 0.00 175.76 175.62 2c9p s ALA 56 N -2.39 3.39 -0.08 0.00 0.00 -0.17 -4.92 121.76 117.60 2c9p s ALA 56 Ca -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2c9p s ALA 56 Cb -0.01 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.80 2c9p s ALA 56 CO -0.01 0.70 -0.09 0.54 0.00 0.00 0.00 175.76 176.90 2c9p s VAL 57 N -1.27 0.98 0.06 0.00 0.11 -1.26 -0.29 120.40 118.73 2c9p s VAL 57 Ca 0.25 -0.35 -0.08 0.00 -2.93 0.00 0.00 61.98 58.88 2c9p s VAL 57 Cb -0.12 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 2c9p s VAL 57 CO 0.17 0.33 0.15 -0.94 -3.33 0.00 0.00 175.10 171.48 2c9p s SER 58 N 1.04 0.14 0.54 3.54 1.04 -0.05 -5.00 113.70 114.94 2c9p s SER 58 Ca -0.08 -0.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.59 2c9p s SER 58 Cb -0.15 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 2c9p s SER 58 CO -0.01 -0.62 1.11 -0.83 0.98 0.00 0.00 173.24 173.88 2c9p s GLY 59 N -2.46 2.58 0.00 7.32 0.00 -1.26 0.24 107.32 113.73 2c9p s GLY 59 Ca -0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2c9p s GLY 59 CO -0.07 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.75 2c9p n GLY 60 N 0.03 0.16 0.19 0.20 0.00 -0.95 -4.78 105.19 100.02 2c9p n GLY 60 Ca 0.11 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 2c9p n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2c9p h GLY 61 N 0.00 0.74 -4.78 -0.02 0.00 -1.97 -3.44 103.07 93.60 2c9p h GLY 61 Ca 0.00 -1.41 -0.55 0.00 0.00 0.00 0.00 47.33 45.38 2c9p h GLY 61 CO 0.00 1.24 0.74 -0.35 0.00 0.00 0.00 176.54 178.17 2c9p s ASP 62 N -7.35 6.98 0.21 0.19 2.15 -1.26 -4.93 116.67 112.66 2c9p s ASP 62 Ca -0.09 1.95 0.17 0.00 0.43 0.00 0.00 52.55 55.01 2c9p s ASP 62 Cb 0.06 -2.56 0.84 0.00 -0.30 0.00 0.00 42.92 40.96 2c9p s ASP 62 CO 0.93 -0.62 1.52 -2.65 -0.17 0.00 0.00 175.17 174.17 2c9p n PRO 63 N 5.12 0.11 0.00 4.34 -0.02 -1.26 -2.04 135.00 141.25 2c9p n PRO 63 Ca 0.12 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 2c9p n PRO 63 Cb 0.45 -1.80 0.45 0.00 -0.02 0.00 0.00 33.50 32.58 2c9p n PRO 63 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2c9p n LYS 64 N -2.03 1.61 -4.80 -0.52 5.02 -1.26 -1.36 118.16 114.82 2c9p n LYS 64 Ca 0.00 -1.00 -0.33 0.00 -2.02 0.00 0.00 58.31 54.97 2c9p n LYS 64 Cb 0.08 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 2c9p n LYS 64 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2c9p s THR 65 N -2.08 3.12 -0.12 -0.18 2.01 -0.87 -0.13 115.64 117.39 2c9p s THR 65 Ca 0.35 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2c9p s THR 65 Cb 0.21 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2c9p s THR 65 CO 0.36 0.55 -0.13 -0.32 -0.69 0.00 0.00 174.62 174.39 2c9p s MET 66 N -0.12 3.30 -0.19 4.92 1.75 0.98 -2.25 119.30 127.70 2c9p s MET 66 Ca -0.01 -0.69 -0.02 0.00 -1.25 0.00 0.00 55.69 53.72 2c9p s MET 66 Cb -0.14 -2.60 -0.00 0.00 2.84 0.00 0.00 34.83 34.93 2c9p s MET 66 CO 0.03 0.25 -0.10 0.08 -0.65 0.00 0.00 175.02 174.63 2c9p s VAL 67 N 0.25 2.97 -0.15 10.11 1.01 0.14 0.03 120.40 134.75 2c9p s VAL 67 Ca -0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2c9p s VAL 67 Cb -0.15 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2c9p s VAL 67 CO 0.05 0.48 -0.04 -0.63 0.00 0.00 0.00 175.10 174.96 2c9p s ILE 68 N 1.16 3.88 -0.23 2.22 1.09 0.93 -0.88 121.20 129.37 2c9p s ILE 68 Ca 0.01 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 2c9p s ILE 68 Cb -0.14 -2.70 0.06 0.00 -1.06 0.00 0.00 42.46 38.62 2c9p s ILE 68 CO -0.03 0.50 -0.02 -0.89 -0.10 0.00 0.00 174.94 174.39 2c9p s THR 69 N 0.32 1.31 0.38 2.92 2.01 0.61 0.43 115.64 123.62 2c9p s THR 69 Ca -0.04 -1.14 -0.27 0.00 0.31 0.00 0.00 61.69 60.55 2c9p s THR 69 Cb -0.14 -1.66 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 2c9p s THR 69 CO 0.03 -0.17 1.40 -2.65 -0.69 0.00 0.00 174.62 172.54 2c9p n PRO 70 N 4.74 2.40 -0.09 4.92 -0.02 -1.26 -1.00 135.00 144.69 2c9p n PRO 70 Ca -0.10 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.27 2c9p n PRO 70 Cb 0.44 -2.54 0.38 0.00 -0.02 0.00 0.00 33.50 31.76 2c9p n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9p h ALA 71 N 2.68 1.68 -2.54 3.55 0.00 -1.30 -3.43 119.26 119.90 2c9p h ALA 71 Ca -0.49 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2c9p h ALA 71 Cb 1.26 -0.20 -0.17 0.00 0.00 0.00 0.00 17.79 18.69 2c9p h ALA 71 CO 0.63 0.27 -0.63 -1.54 0.00 0.00 0.00 179.25 177.97 2c9p s SER 72 N -6.47 0.33 0.25 0.00 1.04 -1.26 -5.10 113.70 102.48 2c9p s SER 72 Ca -0.09 -0.73 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 2c9p s SER 72 Cb 0.18 0.19 -0.14 0.00 0.10 0.00 0.00 66.02 66.35 2c9p s SER 72 CO 0.75 -0.51 1.19 -2.65 0.98 0.00 0.00 173.24 173.01 2c9p n PRO 73 N 0.66 1.57 -2.25 4.02 -0.02 -1.26 -4.90 135.00 132.82 2c9p n PRO 73 Ca -0.18 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2c9p n PRO 73 Cb 0.59 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2c9p n PRO 73 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c9p s LEU 74 N 0.25 4.41 0.58 2.45 1.43 -1.26 -5.04 118.68 121.50 2c9p s LEU 74 Ca 0.65 2.34 0.01 0.00 -1.03 0.00 0.00 54.13 56.11 2c9p s LEU 74 Cb -0.72 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 41.95 2c9p s LEU 74 CO 0.55 -0.51 0.81 0.42 0.23 0.00 0.00 176.35 177.85 2c9p s THR 75 N 0.25 2.55 0.30 5.49 -4.23 -1.26 -4.76 115.64 113.98 2c9p s THR 75 Ca 0.57 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 60.11 2c9p s THR 75 Cb -0.35 -2.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.48 2c9p s THR 75 CO 0.37 0.00 1.31 0.00 -0.54 0.00 0.00 174.62 175.76 2c9p n ALA 76 N -2.42 1.11 0.00 3.99 0.00 -1.26 -4.81 120.51 117.12 2c9p n ALA 76 Ca 0.10 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2c9p n ALA 76 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2c9p n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9p n GLY 77 N 1.32 0.68 3.83 0.00 0.00 -0.41 -4.35 105.19 106.25 2c9p n GLY 77 Ca 0.08 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 2c9p n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c9p s THR 78 N -1.84 4.99 0.07 2.61 2.01 0.09 0.05 115.64 123.62 2c9p s THR 78 Ca 0.00 0.87 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2c9p s THR 78 Cb 0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2c9p s THR 78 CO 0.00 0.56 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.06 2c9p s TYR 79 N -1.10 1.09 0.00 4.92 1.51 0.39 -1.42 117.35 122.75 2c9p s TYR 79 Ca 0.25 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2c9p s TYR 79 Cb -0.17 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2c9p s TYR 79 CO 0.14 0.02 -0.10 -1.59 -1.11 0.00 0.00 175.55 172.91 2c9p s LYS 80 N -1.91 0.82 -0.36 -0.62 -2.85 0.41 -1.20 119.74 114.03 2c9p s LYS 80 Ca -0.02 -0.43 -0.08 0.00 -1.00 0.00 0.00 55.97 54.44 2c9p s LYS 80 Cb -0.09 -0.79 0.04 0.00 -2.06 0.00 0.00 37.83 34.94 2c9p s LYS 80 CO 0.02 0.21 0.15 0.08 0.10 0.00 0.00 175.35 175.91 2c9p s VAL 81 N -0.37 4.06 -0.45 1.79 1.01 0.17 -0.99 120.40 125.62 2c9p s VAL 81 Ca 0.03 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.73 2c9p s VAL 81 Cb -0.05 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2c9p s VAL 81 CO -0.00 -0.23 0.63 -1.81 0.00 0.00 0.00 175.10 173.69 2c9p s ASP 82 N 1.50 6.29 0.16 3.32 1.01 0.08 -1.16 116.67 127.88 2c9p s ASP 82 Ca -0.00 -0.48 0.06 0.00 0.71 0.00 0.00 52.55 52.83 2c9p s ASP 82 Cb -0.20 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2c9p s ASP 82 CO 0.04 -0.80 0.07 -1.66 0.21 0.00 0.00 175.17 173.04 2c9p s TRP 83 N 2.75 3.02 -0.23 4.23 1.48 -0.49 -0.78 118.94 128.92 2c9p s TRP 83 Ca 0.20 -0.06 -0.01 0.00 -1.06 0.00 0.00 56.10 55.17 2c9p s TRP 83 Cb -0.15 -1.46 0.06 0.00 -1.16 0.00 0.00 33.47 30.76 2c9p s TRP 83 CO 0.17 0.52 -0.01 1.03 -4.06 0.00 0.00 176.95 174.60 2c9p s ARG 84 N -3.00 1.19 -0.25 3.25 0.52 0.16 -2.71 118.95 118.12 2c9p s ARG 84 Ca 0.29 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.62 2c9p s ARG 84 Cb -0.10 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 2c9p s ARG 84 CO 0.21 -0.65 0.08 0.00 0.02 0.00 0.00 175.30 174.96 2c9p s ALA 85 N 1.57 3.19 -0.23 2.13 0.00 0.63 -1.29 121.76 127.76 2c9p s ALA 85 Ca -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2c9p s ALA 85 Cb -0.18 -2.10 0.06 0.00 0.00 0.00 0.00 23.12 20.89 2c9p s ALA 85 CO -0.08 -0.48 -0.06 0.08 0.00 0.00 0.00 175.76 175.22 2c9p s VAL 86 N 1.61 1.50 0.67 0.00 1.01 -1.26 -0.90 120.40 123.03 2c9p s VAL 86 Ca 0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2c9p s VAL 86 Cb -0.15 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.55 2c9p s VAL 86 CO 0.04 -0.06 0.95 -0.44 0.00 0.00 0.00 175.10 175.59 2c9p s SER 87 N 1.42 4.84 0.31 3.32 0.01 -1.26 0.10 113.70 122.43 2c9p s SER 87 Ca -0.05 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.15 2c9p s SER 87 Cb -0.18 -0.90 -0.11 0.00 0.21 0.00 0.00 66.02 65.03 2c9p s SER 87 CO -0.06 -1.53 1.57 -0.44 0.41 0.00 0.00 173.24 173.18 2c9p s SER 88 N -4.53 6.37 -1.60 2.44 0.01 -1.26 -3.06 113.70 112.07 2c9p s SER 88 Ca 0.60 2.97 -0.12 0.00 1.31 0.00 0.00 55.95 60.71 2c9p s SER 88 Cb -0.10 -2.64 0.10 0.00 0.21 0.00 0.00 66.02 63.59 2c9p s SER 88 CO 0.43 -0.90 0.67 0.47 0.41 0.00 0.00 173.24 174.32 2c9p n ASP 89 N 1.79 -2.37 -3.95 2.44 10.43 -1.26 -4.94 116.55 118.68 2c9p n ASP 89 Ca 0.06 -1.00 -0.12 0.00 2.57 0.00 0.00 54.79 56.30 2c9p n ASP 89 Cb 0.38 -2.89 -0.13 0.00 1.84 0.00 0.00 41.12 40.32 2c9p n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2c9p s THR 90 N -3.53 0.21 0.34 -3.53 2.01 -1.17 -5.14 115.64 104.83 2c9p s THR 90 Ca 0.49 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 2c9p s THR 90 Cb -0.27 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 71.89 2c9p s THR 90 CO 0.91 -0.18 1.33 -1.00 -0.69 0.00 0.00 174.62 174.99 2c9p s HIS 91 N -0.67 2.97 0.30 4.92 3.76 -1.26 -4.64 115.29 120.67 2c9p s HIS 91 Ca -0.06 1.38 -0.29 0.00 -0.15 0.00 0.00 55.06 55.94 2c9p s HIS 91 Cb -0.05 -3.73 -0.13 0.00 1.11 0.00 0.00 32.58 29.78 2c9p s HIS 91 CO -0.00 -2.04 1.22 -2.30 -0.85 0.00 0.00 174.74 170.77 2c9p n PRO 92 N 0.73 1.85 -5.02 8.40 -0.02 -1.26 -4.80 135.00 134.88 2c9p n PRO 92 Ca 0.00 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 2c9p n PRO 92 Cb 0.41 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 2c9p n PRO 92 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c9p s ILE 93 N -0.90 2.69 0.15 4.25 -1.09 -0.08 -4.99 121.20 121.23 2c9p s ILE 93 Ca 0.59 -0.85 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 2c9p s ILE 93 Cb -0.63 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2c9p s ILE 93 CO 0.59 0.57 -0.18 0.42 -1.23 0.00 0.00 174.94 175.12 2c9p s THR 94 N -0.42 1.73 0.22 2.92 -4.23 -1.26 -0.27 115.64 114.33 2c9p s THR 94 Ca 0.04 -1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 58.52 2c9p s THR 94 Cb -0.12 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 72.04 2c9p s THR 94 CO 0.02 -0.28 0.94 -0.83 -0.54 0.00 0.00 174.62 173.93 2c9p s GLY 95 N -2.48 0.05 -0.03 3.99 0.00 -1.10 -5.02 107.32 102.73 2c9p s GLY 95 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.58 2c9p s GLY 95 CO 0.06 0.98 -0.06 -0.45 0.00 0.00 0.00 173.10 173.63 2c9p s SER 96 N -3.17 0.86 -0.16 1.64 0.15 -1.26 -1.40 113.70 110.36 2c9p s SER 96 Ca 0.17 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2c9p s SER 96 Cb -0.03 -0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 63.99 2c9p s SER 96 CO 0.06 0.01 -0.13 -0.69 1.20 0.00 0.00 173.24 173.69 2c9p s VAL 97 N 0.42 2.86 0.03 4.45 1.01 -0.31 -4.94 120.40 123.92 2c9p s VAL 97 Ca -0.05 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2c9p s VAL 97 Cb -0.09 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2c9p s VAL 97 CO 0.00 0.50 -0.08 0.28 0.00 0.00 0.00 175.10 175.80 2c9p s THR 98 N 0.88 3.53 0.10 3.92 -1.32 -1.26 0.44 115.64 121.94 2c9p s THR 98 Ca -0.03 -0.91 -0.25 0.00 -1.21 0.00 0.00 61.69 59.28 2c9p s THR 98 Cb -0.15 -2.56 0.07 0.00 -1.51 0.00 0.00 72.50 68.35 2c9p s THR 98 CO -0.01 0.32 0.62 0.72 -2.21 0.00 0.00 174.62 174.06 2c9p s PHE 99 N -1.05 -0.56 -0.08 9.09 -0.71 -0.34 -1.09 117.98 123.23 2c9p s PHE 99 Ca 0.18 0.54 -0.01 0.00 -1.04 0.00 0.00 56.93 56.60 2c9p s PHE 99 Cb -0.11 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 2c9p s PHE 99 CO 0.09 -0.78 -0.02 0.21 -1.34 0.00 0.00 175.22 173.38 2c9p s LYS 100 N -3.05 2.95 -0.13 1.99 2.20 -0.49 -0.46 119.74 122.75 2c9p s LYS 100 Ca -0.02 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 2c9p s LYS 100 Cb -0.01 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 2c9p s LYS 100 CO -0.07 0.66 0.02 0.08 -0.36 0.00 0.00 175.35 175.68 2c9p s VAL 101 N -0.77 4.46 0.00 4.02 1.01 0.11 -2.68 120.40 126.55 2c9p s VAL 101 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2c9p s VAL 101 Cb -0.11 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2c9p s VAL 101 CO 0.02 0.54 0.42 0.29 0.00 0.00 0.00 175.10 176.37