#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 4.38 0.12 -0.41 0.04 -1.26 -4.89 135.00 132.98 2c9p s PRO 2 Ca 0.00 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.94 2c9p s PRO 2 Cb 0.00 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2c9p s PRO 2 CO 0.00 -0.04 -0.10 -1.59 0.04 0.00 0.00 177.00 175.32 2c9p s LYS 3 N -1.84 0.93 -0.04 4.56 -2.85 -1.26 -4.90 119.74 114.33 2c9p s LYS 3 Ca 0.50 -1.29 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 2c9p s LYS 3 Cb -0.32 -0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 34.88 2c9p s LYS 3 CO 0.41 0.07 1.25 -1.17 0.10 0.00 0.00 175.35 176.01 2c9p s LEU 4 N -2.79 4.29 -0.23 2.77 2.96 -1.26 -0.46 118.68 123.95 2c9p s LEU 4 Ca 0.10 1.89 -0.04 0.00 -0.22 0.00 0.00 54.13 55.86 2c9p s LEU 4 Cb 0.00 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.95 2c9p s LEU 4 CO -0.00 -0.62 -0.11 0.52 -1.32 0.00 0.00 176.35 174.81 2c9p n VAL 5 N 4.63 1.56 -3.86 1.68 0.31 -0.02 -4.93 118.33 117.69 2c9p n VAL 5 Ca 0.12 -0.52 -0.08 0.00 -0.01 0.00 0.00 64.34 63.85 2c9p n VAL 5 Cb 0.45 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 2c9p n VAL 5 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2c9p s SER 6 N -6.83 -0.23 0.10 4.52 1.04 -1.12 -5.04 113.70 106.13 2c9p s SER 6 Ca -0.33 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.29 2c9p s SER 6 Cb 0.09 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.92 2c9p s SER 6 CO 0.61 -1.25 0.39 -0.94 0.98 0.00 0.00 173.24 173.03 2c9p s SER 7 N -2.93 -0.22 -0.14 7.02 1.04 -1.26 -1.11 113.70 116.10 2c9p s SER 7 Ca 0.13 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 2c9p s SER 7 Cb -0.04 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2c9p s SER 7 CO 0.06 -0.78 0.03 0.42 0.98 0.00 0.00 173.24 173.94 2c9p s THR 8 N -3.38 0.41 0.66 2.02 -4.23 -0.26 -2.89 115.64 107.97 2c9p s THR 8 Ca 0.00 -0.26 -0.17 0.00 -1.18 0.00 0.00 61.69 60.08 2c9p s THR 8 Cb 0.01 -0.80 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 2c9p s THR 8 CO -0.09 -0.04 1.24 -2.84 -0.54 0.00 0.00 174.62 172.35 2c9p s PRO 9 N 1.93 2.54 0.58 3.99 0.02 -1.26 -0.63 135.00 142.16 2c9p s PRO 9 Ca 0.02 1.90 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 2c9p s PRO 9 Cb -0.15 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 2c9p s PRO 9 CO -0.07 -1.56 0.98 0.00 -0.33 0.00 0.00 177.00 176.02 2c9p s ALA 10 N -1.65 3.14 -0.01 -1.55 0.00 -1.14 -4.93 121.76 115.63 2c9p s ALA 10 Ca 0.78 -0.10 -0.34 0.00 0.00 0.00 0.00 51.96 52.30 2c9p s ALA 10 Cb -0.33 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 2c9p s ALA 10 CO 0.40 -0.55 1.78 -1.91 0.00 0.00 0.00 175.76 175.48 2c9p n GLU 11 N -2.44 2.16 -0.97 0.00 4.07 -1.26 -1.85 120.64 120.35 2c9p n GLU 11 Ca 0.05 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 2c9p n GLU 11 Cb 0.54 -2.61 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 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 4.08 0.78 3.80 8.31 0.00 0.91 -5.01 105.19 118.05 2c9p n GLY 12 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.65 5.56 0.00 1.61 1.04 -0.77 -4.84 113.70 113.65 2c9p s SER 13 Ca 0.00 1.82 0.05 0.00 0.48 0.00 0.00 55.95 58.29 2c9p s SER 13 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 2c9p s SER 13 CO 0.00 -1.32 -0.14 -1.61 0.98 0.00 0.00 173.24 171.15 2c9p s GLU 14 N -4.24 1.11 0.00 4.02 2.02 -1.26 -1.00 118.70 119.34 2c9p s GLU 14 Ca 0.63 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2c9p s GLU 14 Cb -0.17 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 32.98 2c9p s GLU 14 CO 0.41 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.39 2c9p n GLY 15 N 2.54 -0.64 3.74 -1.39 0.00 -1.05 -4.94 105.19 103.45 2c9p n GLY 15 Ca -0.15 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 2.07 0.09 4.61 0.00 -1.26 -0.94 121.76 125.32 2c9p s ALA 16 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 51.96 52.05 2c9p s ALA 16 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2c9p s ALA 16 CO 0.00 -1.99 1.71 0.00 0.00 0.00 0.00 175.76 175.48 2c9p s ALA 17 N -2.76 3.72 0.45 0.00 0.00 -1.26 -4.85 121.76 117.06 2c9p s ALA 17 Ca 0.64 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.68 2c9p s ALA 17 Cb -0.19 -3.71 -0.10 0.00 0.00 0.00 0.00 23.12 19.11 2c9p s ALA 17 CO 0.55 -1.13 0.98 -1.25 0.00 0.00 0.00 175.76 174.91 2c9p s PRO 18 N 2.61 4.07 0.19 0.00 0.04 -1.26 -4.93 135.00 135.71 2c9p s PRO 18 Ca 0.76 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 2c9p s PRO 18 Cb -0.42 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.06 2c9p s PRO 18 CO 0.34 -0.18 1.64 0.00 0.04 0.00 0.00 177.00 178.84 2c9p h ALA 19 N 1.78 0.84 -2.53 8.56 0.00 -1.96 -3.44 119.26 122.52 2c9p h ALA 19 Ca -0.49 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.00 2c9p h ALA 19 Cb 1.20 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 2c9p h ALA 19 CO 0.60 0.67 -0.23 -1.59 0.00 0.00 0.00 179.25 178.70 2c9p s LYS 20 N -4.97 0.79 -0.22 0.00 -2.85 -1.26 -4.33 119.74 106.91 2c9p s LYS 20 Ca -0.11 -0.40 -0.12 0.00 -1.00 0.00 0.00 55.97 54.34 2c9p s LYS 20 Cb 0.14 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2c9p s LYS 20 CO 0.86 -0.25 0.21 0.42 0.10 0.00 0.00 175.35 176.69 2c9p s ILE 21 N -2.22 5.34 -0.16 3.79 1.09 0.12 -4.66 121.20 124.51 2c9p s ILE 21 Ca -0.07 0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.77 2c9p s ILE 21 Cb -0.02 -3.55 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 2c9p s ILE 21 CO -0.01 0.35 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.48 2c9p s GLU 22 N 0.89 3.45 -0.16 2.79 2.02 0.20 0.01 118.70 127.90 2c9p s GLU 22 Ca 0.11 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 2c9p s GLU 22 Cb -0.13 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 2c9p s GLU 22 CO 0.04 0.13 -0.10 -0.51 0.02 0.00 0.00 175.26 174.84 2c9p s LEU 23 N 0.60 2.81 -0.23 1.80 1.43 0.34 -1.10 118.68 124.32 2c9p s LEU 23 Ca -0.06 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2c9p s LEU 23 Cb -0.15 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2c9p s LEU 23 CO 0.03 0.11 -0.04 -1.00 0.23 0.00 0.00 176.35 175.68 2c9p s HIS 24 N 0.67 3.00 0.37 0.29 3.76 -0.26 -0.64 115.29 122.48 2c9p s HIS 24 Ca -0.05 -1.10 0.07 0.00 -0.15 0.00 0.00 55.06 53.84 2c9p s HIS 24 Cb -0.15 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 2c9p s HIS 24 CO 0.02 -0.60 0.37 -0.06 -0.85 0.00 0.00 174.74 173.63 2c9p s PHE 25 N 1.44 2.85 -1.46 1.40 0.08 0.50 -0.84 117.98 121.95 2c9p s PHE 25 Ca 0.04 -0.37 0.29 0.00 0.12 0.00 0.00 56.93 57.01 2c9p s PHE 25 Cb -0.15 -2.02 1.27 0.00 -0.57 0.00 0.00 43.02 41.55 2c9p s PHE 25 CO -0.03 -0.01 1.90 -1.13 -0.10 0.00 0.00 175.22 175.84 2c9p n SER 26 N -1.52 0.27 -3.75 1.36 3.41 0.39 -4.79 113.62 108.99 2c9p n SER 26 Ca 0.01 -0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.20 2c9p n SER 26 Cb 0.60 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.60 0.60 0.32 4.33 2.12 -1.26 -4.91 118.70 117.29 2c9p s GLU 27 Ca 0.26 0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 2c9p s GLU 27 Cb 0.20 0.27 -0.12 0.00 0.26 0.00 0.00 34.13 34.74 2c9p s GLU 27 CO 0.49 -0.15 1.50 0.09 -0.54 0.00 0.00 175.26 176.65 2c9p n ASN 28 N 1.77 3.52 -4.88 -1.70 4.13 -1.26 -4.63 115.26 112.22 2c9p n ASN 28 Ca -0.19 1.18 -0.36 0.00 1.68 0.00 0.00 54.58 56.89 2c9p n ASN 28 Cb 0.56 -1.56 -0.06 0.00 -1.54 0.00 0.00 39.78 37.19 2c9p n ASN 28 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2c9p s LEU 29 N -0.89 4.39 -0.57 3.41 1.43 -0.64 -4.34 118.68 121.48 2c9p s LEU 29 Ca 0.60 0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 54.04 2c9p s LEU 29 Cb -0.52 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 43.34 2c9p s LEU 29 CO 0.55 0.33 0.93 -0.69 0.23 0.00 0.00 176.35 177.69 2c9p s VAL 30 N -1.15 4.41 0.29 -1.59 1.01 0.81 -4.93 120.40 119.23 2c9p s VAL 30 Ca 0.22 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2c9p s VAL 30 Cb -0.13 -4.55 0.28 0.00 0.00 0.00 0.00 36.38 31.98 2c9p s VAL 30 CO 0.11 -1.16 1.76 0.74 0.00 0.00 0.00 175.10 176.55 2c9p h THR 31 N 6.00 0.69 -0.90 3.92 2.02 -1.90 -1.50 112.91 121.23 2c9p h THR 31 Ca -0.27 -0.23 0.11 0.00 0.77 0.00 0.00 66.41 66.79 2c9p h THR 31 Cb 1.07 -0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 2c9p h THR 31 CO 1.10 0.12 0.58 -0.61 0.37 0.00 0.00 175.52 177.08 2c9p h GLN 32 N 0.68 0.84 0.00 6.66 4.15 -1.96 -3.03 115.11 122.45 2c9p h GLN 32 Ca 0.54 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.91 2c9p h GLN 32 Cb 0.84 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2c9p h GLN 32 CO -0.39 0.55 -1.07 1.19 -1.93 0.00 0.00 178.83 177.18 2c9p n PHE 33 N -4.54 0.00 -3.20 3.99 0.99 -0.73 -5.00 117.46 108.97 2c9p n PHE 33 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.32 2c9p n PHE 33 Cb 0.34 -0.12 -0.03 0.00 -1.00 0.00 0.00 39.48 38.67 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 -2.96 6.48 0.03 4.37 0.01 -0.64 -4.68 113.70 116.31 2c9p s SER 34 Ca 0.02 0.85 -0.10 0.00 1.31 0.00 0.00 55.95 58.03 2c9p s SER 34 Cb 0.12 -2.20 0.03 0.00 0.21 0.00 0.00 66.02 64.18 2c9p s SER 34 CO 0.68 -0.25 0.48 0.61 0.41 0.00 0.00 173.24 175.17 2c9p n GLY 35 N -1.00 0.71 3.48 3.44 0.00 0.56 -4.90 105.19 107.47 2c9p n GLY 35 Ca -0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.42 -1.73 -0.01 4.61 0.00 -1.26 0.00 121.76 121.95 2c9p s ALA 36 Ca 0.11 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.98 2c9p s ALA 36 Cb -0.01 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2c9p s ALA 36 CO 0.01 -0.67 -0.13 -1.59 0.00 0.00 0.00 175.76 173.38 2c9p s LYS 37 N -3.07 1.06 -0.20 0.00 -2.85 -0.11 -4.96 119.74 109.61 2c9p s LYS 37 Ca 0.01 -0.47 -0.10 0.00 -1.00 0.00 0.00 55.97 54.41 2c9p s LYS 37 Cb -0.01 -1.03 -0.05 0.00 -2.06 0.00 0.00 37.83 34.68 2c9p s LYS 37 CO -0.08 0.28 0.14 -1.17 0.10 0.00 0.00 175.35 174.62 2c9p s LEU 38 N -0.32 4.21 -0.03 2.77 2.96 -1.26 -1.07 118.68 125.94 2c9p s LEU 38 Ca 0.05 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2c9p s LEU 38 Cb -0.05 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.54 2c9p s LEU 38 CO -0.00 0.17 -0.09 0.68 -1.32 0.00 0.00 176.35 175.78 2c9p s VAL 39 N 0.40 0.80 -0.12 1.68 -7.23 -0.31 -0.82 120.40 114.80 2c9p s VAL 39 Ca 0.08 -0.37 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 2c9p s VAL 39 Cb -0.11 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 2c9p s VAL 39 CO -0.01 0.25 0.87 -0.32 -0.31 0.00 0.00 175.10 175.58 2c9p s MET 40 N 0.19 4.37 0.00 4.82 1.75 -0.36 -0.38 119.30 129.70 2c9p s MET 40 Ca -0.03 1.13 0.22 0.00 -1.25 0.00 0.00 55.69 55.75 2c9p s MET 40 Cb -0.09 -3.54 -0.25 0.00 2.84 0.00 0.00 34.83 33.79 2c9p s MET 40 CO 0.01 -0.25 0.66 0.25 -0.65 0.00 0.00 175.02 175.04 2c9p n THR 41 N 4.49 0.07 -3.56 10.11 -2.24 0.21 -1.26 114.28 122.10 2c9p n THR 41 Ca 0.05 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2c9p n THR 41 Cb 0.49 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 -3.38 -1.88 0.07 6.98 0.00 -1.15 -1.74 121.76 120.66 2c9p s ALA 42 Ca -0.03 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.43 2c9p s ALA 42 Cb 0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2c9p s ALA 42 CO 0.88 -0.34 -0.08 0.00 0.00 0.00 0.00 175.76 176.22 2c9p s MET 43 N -1.23 0.69 0.41 0.00 0.23 -1.26 -0.02 119.30 118.11 2c9p s MET 43 Ca -0.04 -1.01 -0.26 0.00 -1.03 0.00 0.00 55.69 53.34 2c9p s MET 43 Cb -0.00 -0.32 -0.10 0.00 -1.53 0.00 0.00 34.83 32.87 2c9p s MET 43 CO 0.04 0.04 1.34 -0.35 -2.03 0.00 0.00 175.02 174.06 2c9p n PRO 44 N 0.83 2.15 -0.96 3.16 -0.04 -1.26 -2.75 135.00 136.13 2c9p n PRO 44 Ca -0.18 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 2c9p n PRO 44 Cb 0.57 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2c9p n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c9p n GLY 45 N 0.70 0.84 3.11 0.55 0.00 -1.26 -5.00 105.19 104.12 2c9p n GLY 45 Ca 0.05 0.00 -0.11 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 -0.10 0.66 0.63 1.61 -1.94 -1.11 -5.14 119.30 113.90 2c9p s MET 46 Ca 0.00 -1.06 -0.16 0.00 -1.71 0.00 0.00 55.69 52.76 2c9p s MET 46 Cb 0.00 -0.17 -0.02 0.00 2.01 0.00 0.00 34.83 36.66 2c9p s MET 46 CO 0.00 -0.01 1.12 -1.83 -0.01 0.00 0.00 175.02 174.29 2c9p s GLU 47 N -2.85 2.94 0.23 2.03 -1.05 -1.26 -4.55 118.70 114.18 2c9p s GLU 47 Ca 0.01 1.45 -0.32 0.00 -0.15 0.00 0.00 54.97 55.97 2c9p s GLU 47 Cb -0.01 -1.96 -0.13 0.00 -0.44 0.00 0.00 34.13 31.59 2c9p s GLU 47 CO -0.03 -1.15 1.59 0.72 0.95 0.00 0.00 175.26 177.34 2c9p n HIS 48 N -2.12 2.56 -3.16 4.83 8.25 -1.26 -4.74 115.22 119.57 2c9p n HIS 48 Ca 0.11 0.23 0.03 0.00 -0.26 0.00 0.00 57.72 57.83 2c9p n HIS 48 Cb 0.52 -2.58 -0.01 0.00 1.12 0.00 0.00 29.99 29.03 2c9p n HIS 48 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2c9p s SER 49 N 0.75 -1.37 0.28 0.41 0.15 -0.71 -5.01 113.70 108.21 2c9p s SER 49 Ca 0.72 0.62 -0.29 0.00 0.70 0.00 0.00 55.95 57.69 2c9p s SER 49 Cb -0.57 2.07 -0.10 0.00 -1.71 0.00 0.00 66.02 65.71 2c9p s SER 49 CO 0.41 -0.28 1.43 -2.84 1.20 0.00 0.00 173.24 173.16 2c9p s PRO 50 N 2.83 4.26 -0.15 5.44 0.02 -1.26 -4.49 135.00 141.65 2c9p s PRO 50 Ca 0.17 2.33 -0.07 0.00 0.02 0.00 0.00 61.00 63.45 2c9p s PRO 50 Cb -0.13 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 31.36 2c9p s PRO 50 CO -0.23 -0.40 0.35 0.00 -0.33 0.00 0.00 177.00 176.39 2c9p s MET 51 N -0.88 0.31 0.20 5.54 0.23 -0.39 -5.00 119.30 119.31 2c9p s MET 51 Ca 0.57 0.71 -0.33 0.00 -1.03 0.00 0.00 55.69 55.61 2c9p s MET 51 Cb -0.42 -0.04 -0.14 0.00 -1.53 0.00 0.00 34.83 32.70 2c9p s MET 51 CO 0.48 -0.17 1.48 0.00 -2.03 0.00 0.00 175.02 174.78 2c9p n ALA 52 N 4.38 1.17 -2.65 3.16 0.00 -1.26 -1.22 120.51 124.09 2c9p n ALA 52 Ca -0.22 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 2c9p n ALA 52 Cb 0.54 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 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 0.38 5.34 -0.26 0.00 1.01 0.00 -4.85 120.40 122.03 2c9p s VAL 53 Ca 0.73 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 2c9p s VAL 53 Cb -0.67 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2c9p s VAL 53 CO 0.44 0.33 2.19 1.17 0.00 0.00 0.00 175.10 179.23 2c9p n LYS 54 N 4.39 1.63 -3.68 2.72 4.81 -1.26 -4.59 118.16 122.18 2c9p n LYS 54 Ca -0.14 0.46 -0.12 0.00 -0.87 0.00 0.00 58.31 57.63 2c9p n LYS 54 Cb 0.52 -2.88 -0.06 0.00 0.02 0.00 0.00 35.03 32.62 2c9p n LYS 54 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2c9p s ALA 55 N 7.61 -0.94 -0.05 3.14 0.00 -1.26 -0.87 121.76 129.38 2c9p s ALA 55 Ca 1.04 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 2c9p s ALA 55 Cb -0.57 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2c9p s ALA 55 CO 0.42 -0.45 0.01 0.00 0.00 0.00 0.00 175.76 175.74 2c9p s ALA 56 N -2.52 3.32 -0.01 0.00 0.00 0.14 -4.91 121.76 117.78 2c9p s ALA 56 Ca -0.05 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.12 2c9p s ALA 56 Cb -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2c9p s ALA 56 CO -0.03 0.62 -0.22 0.54 0.00 0.00 0.00 175.76 176.67 2c9p s VAL 57 N -0.98 1.76 0.21 0.00 0.11 -1.26 0.17 120.40 120.40 2c9p s VAL 57 Ca 0.16 -0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 58.00 2c9p s VAL 57 Cb -0.11 -1.47 0.04 0.00 -1.53 0.00 0.00 36.38 33.31 2c9p s VAL 57 CO 0.06 0.47 0.80 -0.94 -3.33 0.00 0.00 175.10 172.16 2c9p s SER 58 N -0.59 -0.27 0.57 3.54 1.04 -0.26 -5.01 113.70 112.72 2c9p s SER 58 Ca 0.09 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 2c9p s SER 58 Cb -0.09 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2c9p s SER 58 CO -0.01 -1.11 1.16 -0.83 0.98 0.00 0.00 173.24 173.43 2c9p s GLY 59 N -2.88 2.66 0.00 7.32 0.00 -1.26 -0.06 107.32 113.10 2c9p s GLY 59 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2c9p s GLY 59 CO 0.02 1.27 0.00 0.61 0.00 0.00 0.00 173.10 175.00 2c9p n GLY 60 N 0.29 0.39 0.06 0.20 0.00 -0.68 -4.72 105.19 100.73 2c9p n GLY 60 Ca 0.12 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.59 2c9p n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9p n GLY 61 N 5.00 -1.62 3.59 -0.02 0.00 -1.26 -4.77 105.19 106.11 2c9p n GLY 61 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2c9p n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c9p s ASP 62 N -3.86 5.10 0.64 1.61 -1.08 -1.26 -5.01 116.67 112.81 2c9p s ASP 62 Ca 0.12 0.00 0.41 0.00 -0.52 0.00 0.00 52.55 52.56 2c9p s ASP 62 Cb 0.15 -1.71 2.16 0.00 -1.46 0.00 0.00 42.92 42.06 2c9p s ASP 62 CO 0.57 0.24 2.28 -0.65 0.52 0.00 0.00 175.17 178.13 2c9p h PRO 63 N 6.20 0.00 -0.16 4.34 0.11 -1.96 -2.11 132.00 138.42 2c9p h PRO 63 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2c9p h PRO 63 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c9p h PRO 63 CO 0.62 0.01 0.00 1.63 -0.21 0.00 0.00 178.00 180.04 2c9p n LYS 64 N -3.17 1.74 -5.02 1.05 5.02 -1.26 -1.62 118.16 114.90 2c9p n LYS 64 Ca -0.02 -1.11 -0.32 0.00 -2.02 0.00 0.00 58.31 54.83 2c9p n LYS 64 Cb 0.12 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.79 2.61 -0.10 -0.18 2.01 -0.79 -0.37 115.64 117.01 2c9p s THR 65 Ca 0.33 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2c9p s THR 65 Cb 0.18 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 2c9p s THR 65 CO 0.27 0.56 -0.10 -0.32 -0.69 0.00 0.00 174.62 174.34 2c9p s MET 66 N -0.14 3.09 -0.12 4.92 1.75 0.19 -1.68 119.30 127.31 2c9p s MET 66 Ca -0.03 -0.61 0.03 0.00 -1.25 0.00 0.00 55.69 53.83 2c9p s MET 66 Cb -0.14 -2.63 0.00 0.00 2.84 0.00 0.00 34.83 34.91 2c9p s MET 66 CO 0.04 0.43 -0.22 0.08 -0.65 0.00 0.00 175.02 174.70 2c9p s VAL 67 N -0.19 2.19 -0.20 10.11 1.01 0.92 -0.50 120.40 133.73 2c9p s VAL 67 Ca 0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2c9p s VAL 67 Cb -0.13 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2c9p s VAL 67 CO 0.03 0.55 -0.08 -0.63 0.00 0.00 0.00 175.10 174.97 2c9p s ILE 68 N 0.57 3.13 -0.32 2.22 1.09 0.10 -1.11 121.20 126.89 2c9p s ILE 68 Ca -0.12 -0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 58.84 2c9p s ILE 68 Cb -0.17 -2.40 0.07 0.00 -1.06 0.00 0.00 42.46 38.90 2c9p s ILE 68 CO 0.04 0.45 0.02 -0.89 -0.10 0.00 0.00 174.94 174.46 2c9p s THR 69 N 1.33 2.85 0.34 2.92 2.01 0.13 0.14 115.64 125.36 2c9p s THR 69 Ca 0.04 -1.63 -0.29 0.00 0.31 0.00 0.00 61.69 60.13 2c9p s THR 69 Cb -0.14 -2.74 -0.11 0.00 0.01 0.00 0.00 72.50 69.51 2c9p s THR 69 CO -0.04 -0.24 1.48 -2.84 -0.69 0.00 0.00 174.62 172.29 2c9p s PRO 70 N 1.18 4.15 0.35 4.92 0.02 -1.26 -0.68 135.00 143.68 2c9p s PRO 70 Ca -0.02 2.51 0.03 0.00 0.02 0.00 0.00 61.00 63.54 2c9p s PRO 70 Cb -0.20 -3.00 0.65 0.00 0.02 0.00 0.00 34.50 31.96 2c9p s PRO 70 CO -0.03 -0.50 2.00 0.00 -0.33 0.00 0.00 177.00 178.13 2c9p h ALA 71 N 3.58 1.53 -2.61 -1.55 0.00 -1.36 -3.43 119.26 115.43 2c9p h ALA 71 Ca -0.49 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 2c9p h ALA 71 Cb 1.23 -0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.62 2c9p h ALA 71 CO 0.68 0.41 -0.73 -1.12 0.00 0.00 0.00 179.25 178.50 2c9p s SER 72 N -6.53 1.46 0.22 0.00 0.01 -1.26 -5.10 113.70 102.50 2c9p s SER 72 Ca -0.10 -0.86 -0.31 0.00 1.31 0.00 0.00 55.95 56.00 2c9p s SER 72 Cb 0.17 0.02 -0.15 0.00 0.21 0.00 0.00 66.02 66.27 2c9p s SER 72 CO 0.76 -0.29 1.09 -2.65 0.41 0.00 0.00 173.24 172.56 2c9p n PRO 73 N 0.39 1.23 -2.32 12.44 -0.02 -1.26 -4.89 135.00 140.57 2c9p n PRO 73 Ca -0.15 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2c9p n PRO 73 Cb 0.58 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.64 4.28 0.76 2.45 1.43 -1.26 -5.02 118.68 121.96 2c9p s LEU 74 Ca 0.67 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2c9p s LEU 74 Cb -0.79 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 41.93 2c9p s LEU 74 CO 0.55 -0.70 1.10 0.42 0.23 0.00 0.00 176.35 177.95 2c9p s THR 75 N 2.69 3.19 0.42 5.49 -4.23 -1.26 -4.63 115.64 117.31 2c9p s THR 75 Ca 0.60 0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 61.25 2c9p s THR 75 Cb -0.27 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.22 2c9p s THR 75 CO 0.23 -0.51 1.15 0.00 -0.54 0.00 0.00 174.62 174.95 2c9p n ALA 76 N -3.25 0.76 0.00 3.99 0.00 -1.26 -4.77 120.51 115.98 2c9p n ALA 76 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2c9p n ALA 76 Cb 0.57 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 0.99 -0.92 3.68 0.00 0.00 -0.35 -4.49 105.19 104.10 2c9p n GLY 77 Ca 0.08 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.62 4.64 0.10 2.61 2.01 0.97 -0.59 115.64 123.75 2c9p s THR 78 Ca 0.00 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 61.95 2c9p s THR 78 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2c9p s THR 78 CO 0.00 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.02 2c9p s TYR 79 N -0.37 1.40 0.02 4.92 1.51 -0.16 -0.61 117.35 124.05 2c9p s TYR 79 Ca 0.08 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2c9p s TYR 79 Cb -0.12 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 2c9p s TYR 79 CO 0.02 0.13 -0.04 -1.59 -1.11 0.00 0.00 175.55 172.95 2c9p s LYS 80 N -2.24 0.34 -0.34 -0.62 -2.85 0.49 -1.91 119.74 112.61 2c9p s LYS 80 Ca 0.05 -0.44 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 2c9p s LYS 80 Cb -0.07 -0.16 0.04 0.00 -2.06 0.00 0.00 37.83 35.58 2c9p s LYS 80 CO 0.03 0.03 0.11 0.08 0.10 0.00 0.00 175.35 175.69 2c9p s VAL 81 N -0.84 3.80 -0.47 1.79 1.01 0.27 -1.16 120.40 124.80 2c9p s VAL 81 Ca -0.07 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.56 2c9p s VAL 81 Cb -0.06 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2c9p s VAL 81 CO -0.00 -0.18 0.79 -1.81 0.00 0.00 0.00 175.10 173.90 2c9p s ASP 82 N 1.41 6.38 0.19 3.32 1.01 -0.23 -1.69 116.67 127.05 2c9p s ASP 82 Ca -0.02 -0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.09 2c9p s ASP 82 Cb -0.19 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2c9p s ASP 82 CO 0.03 -0.95 0.07 -1.66 0.21 0.00 0.00 175.17 172.87 2c9p s TRP 83 N 3.31 2.98 -0.20 4.23 1.48 -0.21 -0.93 118.94 129.60 2c9p s TRP 83 Ca 0.28 -0.09 -0.04 0.00 -1.06 0.00 0.00 56.10 55.19 2c9p s TRP 83 Cb -0.13 -1.42 0.06 0.00 -1.16 0.00 0.00 33.47 30.83 2c9p s TRP 83 CO 0.21 0.53 0.07 1.03 -4.06 0.00 0.00 176.95 174.72 2c9p s ARG 84 N -3.16 0.39 -0.17 3.25 0.52 0.10 -2.34 118.95 117.54 2c9p s ARG 84 Ca 0.30 -0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2c9p s ARG 84 Cb -0.09 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 2c9p s ARG 84 CO 0.21 -0.69 0.00 0.00 0.02 0.00 0.00 175.30 174.84 2c9p s ALA 85 N 1.98 3.12 -0.16 2.13 0.00 0.62 -0.33 121.76 129.13 2c9p s ALA 85 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2c9p s ALA 85 Cb -0.17 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.27 2c9p s ALA 85 CO -0.11 0.11 -0.09 0.08 0.00 0.00 0.00 175.76 175.74 2c9p s VAL 86 N 0.54 1.33 0.51 0.00 1.01 -1.26 -0.62 120.40 121.91 2c9p s VAL 86 Ca -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2c9p s VAL 86 Cb -0.14 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.91 2c9p s VAL 86 CO 0.02 0.28 0.71 -0.44 0.00 0.00 0.00 175.10 175.67 2c9p s SER 87 N 1.56 5.32 0.18 3.32 0.01 -1.26 -0.14 113.70 122.69 2c9p s SER 87 Ca 0.02 -0.41 -0.31 0.00 1.31 0.00 0.00 55.95 56.56 2c9p s SER 87 Cb -0.14 -0.44 -0.10 0.00 0.21 0.00 0.00 66.02 65.56 2c9p s SER 87 CO -0.09 -1.09 1.49 -0.44 0.41 0.00 0.00 173.24 173.52 2c9p s SER 88 N -4.48 6.66 -1.49 2.44 0.01 -1.26 -2.87 113.70 112.71 2c9p s SER 88 Ca 0.58 2.57 -0.12 0.00 1.31 0.00 0.00 55.95 60.29 2c9p s SER 88 Cb -0.09 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.62 2c9p s SER 88 CO 0.37 -0.75 0.83 0.47 0.41 0.00 0.00 173.24 174.57 2c9p n ASP 89 N 3.47 -4.65 -4.11 2.44 10.43 -1.26 -4.97 116.55 117.91 2c9p n ASP 89 Ca 0.11 -0.65 -0.17 0.00 2.57 0.00 0.00 54.79 56.65 2c9p n ASP 89 Cb 0.40 -3.74 -0.12 0.00 1.84 0.00 0.00 41.12 39.49 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 -3.20 0.87 0.31 -3.53 2.01 -1.14 -5.13 115.64 105.83 2c9p s THR 90 Ca 0.58 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 2c9p s THR 90 Cb -0.29 -0.85 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 2c9p s THR 90 CO 0.71 -0.20 1.33 -1.00 -0.69 0.00 0.00 174.62 174.78 2c9p s HIS 91 N -1.12 3.04 0.32 4.92 3.76 -1.26 -4.63 115.29 120.32 2c9p s HIS 91 Ca -0.03 1.34 -0.27 0.00 -0.15 0.00 0.00 55.06 55.94 2c9p s HIS 91 Cb -0.09 -3.71 -0.13 0.00 1.11 0.00 0.00 32.58 29.76 2c9p s HIS 91 CO 0.01 -2.01 1.06 -2.30 -0.85 0.00 0.00 174.74 170.65 2c9p n PRO 92 N 1.12 1.50 -5.04 8.40 -0.02 -1.26 -4.79 135.00 134.90 2c9p n PRO 92 Ca 0.01 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 2c9p n PRO 92 Cb 0.42 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.10 2.68 0.12 4.25 -1.09 0.21 -4.98 121.20 121.30 2c9p s ILE 93 Ca 0.58 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 58.20 2c9p s ILE 93 Cb -0.66 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 2c9p s ILE 93 CO 0.60 0.59 -0.13 0.42 -1.23 0.00 0.00 174.94 175.18 2c9p s THR 94 N -0.65 1.30 0.12 2.92 -4.23 -1.26 -0.27 115.64 113.56 2c9p s THR 94 Ca 0.10 -1.76 -0.21 0.00 -1.18 0.00 0.00 61.69 58.64 2c9p s THR 94 Cb -0.11 -1.56 0.07 0.00 1.34 0.00 0.00 72.50 72.25 2c9p s THR 94 CO 0.00 -0.46 1.00 0.61 -0.54 0.00 0.00 174.62 175.23 2c9p n GLY 95 N 0.44 0.56 2.92 3.99 0.00 -0.99 -5.01 105.19 107.10 2c9p n GLY 95 Ca -0.15 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 2c9p n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c9p s SER 96 N -3.32 0.35 -0.06 1.61 0.15 -1.26 -1.05 113.70 110.12 2c9p s SER 96 Ca 0.23 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.85 2c9p s SER 96 Cb -0.02 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 2c9p s SER 96 CO 0.04 0.02 -0.24 -0.69 1.20 0.00 0.00 173.24 173.57 2c9p s VAL 97 N -0.15 1.98 -0.01 4.45 1.01 -0.68 -4.95 120.40 122.05 2c9p s VAL 97 Ca 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.04 2c9p s VAL 97 Cb -0.02 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2c9p s VAL 97 CO -0.00 0.55 -0.25 0.28 0.00 0.00 0.00 175.10 175.68 2c9p s THR 98 N -0.03 1.95 0.26 3.92 -1.32 -1.26 -0.57 115.64 118.59 2c9p s THR 98 Ca -0.07 -1.09 -0.18 0.00 -1.21 0.00 0.00 61.69 59.15 2c9p s THR 98 Cb -0.14 -1.62 0.01 0.00 -1.51 0.00 0.00 72.50 69.23 2c9p s THR 98 CO 0.05 0.52 0.62 0.72 -2.21 0.00 0.00 174.62 174.31 2c9p s PHE 99 N -0.60 0.02 -0.01 9.09 -0.71 -0.80 -0.07 117.98 124.89 2c9p s PHE 99 Ca 0.10 -0.44 0.07 0.00 -1.04 0.00 0.00 56.93 55.62 2c9p s PHE 99 Cb -0.09 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 2c9p s PHE 99 CO -0.01 -1.13 -0.22 0.21 -1.34 0.00 0.00 175.22 172.74 2c9p s LYS 100 N -3.95 1.74 -0.29 1.99 2.20 -0.17 -0.99 119.74 120.26 2c9p s LYS 100 Ca 0.15 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.89 2c9p s LYS 100 Cb -0.04 -1.69 -0.02 0.00 -1.51 0.00 0.00 37.83 34.57 2c9p s LYS 100 CO 0.07 0.46 0.16 0.08 -0.36 0.00 0.00 175.35 175.76 2c9p s VAL 101 N -0.51 4.81 -2.26 4.02 1.01 0.24 -2.51 120.40 125.19 2c9p s VAL 101 Ca 0.08 -0.19 0.30 0.00 0.00 0.00 0.00 61.98 62.17 2c9p s VAL 101 Cb -0.08 -3.37 0.72 0.00 0.00 0.00 0.00 36.38 33.64 2c9p s VAL 101 CO -0.01 0.16 1.98 0.29 0.00 0.00 0.00 175.10 177.52