#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axi s GLN 24 N 0.00 3.72 0.00 3.44 -0.21 -1.26 -4.77 119.66 120.58 2axi s GLN 24 Ca 0.00 -1.93 0.20 0.00 0.02 0.00 0.00 55.36 53.66 2axi s GLN 24 Cb 0.00 -4.98 0.21 0.00 1.00 0.00 0.00 33.01 29.25 2axi s GLN 24 CO 0.00 -1.80 1.19 -0.85 -2.12 0.00 0.00 175.29 171.72 2axi n GLU 25 N 6.46 1.97 -1.67 2.91 0.28 -1.26 -1.50 120.64 127.84 2axi n GLU 25 Ca 0.28 -1.83 -0.62 0.00 -0.16 0.00 0.00 57.16 54.83 2axi n GLU 25 Cb 0.48 -1.41 -0.08 0.00 1.43 0.00 0.00 31.44 31.85 2axi n GLU 25 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2axi n THR 26 N 1.19 0.07 -3.06 3.84 -1.04 -1.26 -4.55 114.28 109.46 2axi n THR 26 Ca 0.13 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 2axi n THR 26 Cb 0.52 -0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 68.40 2axi n THR 26 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2axi s LEU 27 N 2.14 4.28 0.03 -4.42 1.43 -1.26 -0.10 118.68 120.78 2axi s LEU 27 Ca 0.98 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.19 2axi s LEU 27 Cb -1.29 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 2axi s LEU 27 CO 0.69 -0.15 -0.03 0.68 0.23 0.00 0.00 176.35 177.77 2axi s VAL 28 N 1.02 0.14 -0.31 -1.59 -7.23 0.37 -1.27 120.40 111.53 2axi s VAL 28 Ca 0.36 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2axi s VAL 28 Cb -0.17 -0.62 0.09 0.00 0.56 0.00 0.00 36.38 36.24 2axi s VAL 28 CO 0.16 -0.64 0.00 -0.13 -0.31 0.00 0.00 175.10 174.18 2axi s ARG 29 N -2.16 1.70 0.45 4.82 0.52 0.28 -0.94 118.95 123.61 2axi s ARG 29 Ca -0.09 -1.70 -0.25 0.00 -0.52 0.00 0.00 55.73 53.17 2axi s ARG 29 Cb -0.05 -3.09 -0.09 0.00 0.52 0.00 0.00 34.95 32.24 2axi s ARG 29 CO -0.04 -0.83 1.34 -2.30 0.02 0.00 0.00 175.30 173.50 2axi n PRO 30 N 4.32 2.04 -1.49 3.54 -0.02 -1.25 -0.73 135.00 141.41 2axi n PRO 30 Ca -0.02 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 2axi n PRO 30 Cb 0.42 -2.50 0.15 0.00 -0.02 0.00 0.00 33.50 31.55 2axi n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2axi s LYS 31 N -2.37 0.78 0.22 -0.52 1.02 -0.10 -4.65 119.74 114.14 2axi s LYS 31 Ca 0.62 0.21 -0.07 0.00 0.02 0.00 0.00 55.97 56.75 2axi s LYS 31 Cb -0.47 -1.81 0.31 0.00 -0.52 0.00 0.00 37.83 35.34 2axi s LYS 31 CO 0.57 -2.42 1.81 -1.35 -0.92 0.00 0.00 175.35 173.03 2axi h PRO 32 N -1.66 0.70 0.26 -1.68 0.11 -1.95 -0.43 132.00 127.35 2axi h PRO 32 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2axi h PRO 32 Cb 1.32 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2axi h PRO 32 CO 0.57 0.46 -0.13 1.25 -0.21 0.00 0.00 178.00 179.94 2axi h LEU 33 N 0.72 -0.30 -0.96 2.35 5.85 -1.92 -1.12 115.31 119.92 2axi h LEU 33 Ca 0.34 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.07 2axi h LEU 33 Cb 0.27 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2axi h LEU 33 CO -0.22 -0.16 0.62 0.25 -0.34 0.00 0.00 178.44 178.60 2axi h LEU 34 N -0.41 1.02 -1.09 2.25 5.85 -1.74 -1.59 115.31 119.60 2axi h LEU 34 Ca -0.04 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2axi h LEU 34 Cb 0.31 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2axi h LEU 34 CO 0.06 0.69 0.54 0.25 -0.34 0.00 0.00 178.44 179.64 2axi h LEU 35 N 1.19 1.02 -0.88 2.25 5.85 -0.87 -1.20 115.31 122.67 2axi h LEU 35 Ca 0.39 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.07 2axi h LEU 35 Cb 0.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2axi h LEU 35 CO -0.13 0.77 0.58 0.11 -0.34 0.00 0.00 178.44 179.42 2axi h LYS 36 N 1.18 1.16 -0.54 1.25 1.79 -0.22 -1.43 116.57 119.75 2axi h LYS 36 Ca 0.31 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 2axi h LYS 36 Cb -0.08 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.28 2axi h LYS 36 CO -0.06 0.77 0.31 -0.07 -1.08 0.00 0.00 179.45 179.32 2axi h LEU 37 N 1.19 0.67 -1.07 2.94 3.38 -0.86 -2.74 115.31 118.82 2axi h LEU 37 Ca 0.32 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2axi h LEU 37 Cb -0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2axi h LEU 37 CO -0.07 0.55 0.16 -0.07 0.09 0.00 0.00 178.44 179.10 2axi h LEU 38 N 0.73 0.76 -1.70 1.67 3.38 -0.85 -1.94 115.31 117.35 2axi h LEU 38 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2axi h LEU 38 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2axi h LEU 38 CO -0.03 0.73 0.09 0.11 0.09 0.00 0.00 178.44 179.43 2axi h LYS 39 N 0.80 0.29 -0.20 1.13 6.56 -0.97 -1.36 116.57 122.81 2axi h LYS 39 Ca 0.18 -0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.80 2axi h LYS 39 Cb 0.25 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2axi h LYS 39 CO -0.01 0.23 0.16 0.77 -2.06 0.00 0.00 179.45 178.54 2axi h SER 40 N 0.29 0.00 -0.49 0.86 0.02 -1.18 -1.15 113.55 111.90 2axi h SER 40 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2axi h SER 40 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2axi h SER 40 CO -0.01 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.01 2axi n VAL 41 N -4.31 1.59 0.00 2.27 0.24 -0.57 -4.94 118.33 112.61 2axi n VAL 41 Ca 0.02 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 2axi n VAL 41 Cb 0.29 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 2axi n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2axi n GLY 42 N 0.69 0.53 3.55 7.63 0.00 -0.43 -5.06 105.19 112.09 2axi n GLY 42 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2axi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2axi s ALA 43 N -2.00 3.41 -0.18 4.61 0.00 -0.86 -4.90 121.76 121.85 2axi s ALA 43 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2axi s ALA 43 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.91 2axi s ALA 43 CO 0.00 -1.52 0.73 1.04 0.00 0.00 0.00 175.76 176.01 2axi n GLN 44 N 6.15 0.59 -1.53 0.00 6.02 -1.26 -2.59 117.38 124.75 2axi n GLN 44 Ca -0.01 -0.95 -0.29 0.00 -0.01 0.00 0.00 57.00 55.74 2axi n GLN 44 Cb 0.48 -1.03 0.14 0.00 1.02 0.00 0.00 30.24 30.85 2axi n GLN 44 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2axi s LYS 45 N -0.45 1.08 -0.09 -1.09 -2.85 -1.26 -5.02 119.74 110.07 2axi s LYS 45 Ca 0.02 0.27 0.21 0.00 -1.00 0.00 0.00 55.97 55.47 2axi s LYS 45 Cb 0.01 -1.83 -0.31 0.00 -2.06 0.00 0.00 37.83 33.64 2axi s LYS 45 CO 0.02 -2.23 0.34 -0.40 0.10 0.00 0.00 175.35 173.18 2axi n ASP 46 N -3.79 0.00 -4.25 0.03 5.75 -1.26 -4.95 116.55 108.09 2axi n ASP 46 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.53 2axi n ASP 46 Cb 0.59 1.65 -0.17 0.00 -1.03 0.00 0.00 41.12 42.16 2axi n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2axi s THR 47 N -3.16 2.05 0.17 2.12 2.01 -1.26 -3.85 115.64 113.71 2axi s THR 47 Ca -0.09 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2axi s THR 47 Cb 0.11 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 2axi s THR 47 CO 0.88 0.57 -0.00 -0.31 -0.69 0.00 0.00 174.62 175.07 2axi s TYR 48 N 0.02 1.18 0.49 4.92 1.51 -0.12 -4.99 117.35 120.37 2axi s TYR 48 Ca -0.09 -1.02 -0.09 0.00 -1.01 0.00 0.00 57.07 54.86 2axi s TYR 48 Cb -0.15 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 2axi s TYR 48 CO 0.06 -0.22 0.84 0.95 -1.11 0.00 0.00 175.55 176.07 2axi s THR 49 N -3.67 4.81 0.25 -0.71 -4.23 -1.26 -0.47 115.64 110.35 2axi s THR 49 Ca 0.23 0.53 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 2axi s THR 49 Cb 0.06 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.32 2axi s THR 49 CO 0.03 -0.80 1.87 -0.03 -0.54 0.00 0.00 174.62 175.15 2axi h MET 50 N 0.47 1.03 -0.65 3.99 4.05 -0.54 -1.30 114.93 121.97 2axi h MET 50 Ca -0.46 -0.06 0.11 0.00 -0.28 0.00 0.00 59.70 59.00 2axi h MET 50 Cb 1.20 -0.23 -0.08 0.00 -0.80 0.00 0.00 31.60 31.68 2axi h MET 50 CO 0.62 0.68 0.25 -0.22 0.23 0.00 0.00 176.91 178.47 2axi h LYS 51 N 1.06 0.41 -0.24 0.39 3.64 -1.55 0.38 116.57 120.66 2axi h LYS 51 Ca 0.39 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2axi h LYS 51 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2axi h LYS 51 CO -0.16 0.27 0.15 0.93 -2.27 0.00 0.00 179.45 178.36 2axi h GLU 52 N 0.42 0.33 -0.72 1.90 5.08 -1.62 0.19 114.58 120.16 2axi h GLU 52 Ca 0.34 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2axi h GLU 52 Cb 0.44 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2axi h GLU 52 CO -0.33 0.27 0.44 0.28 -1.00 0.00 0.00 179.01 178.67 2axi h VAL 53 N 0.30 1.07 -0.52 3.13 2.07 -0.26 0.46 116.25 122.49 2axi h VAL 53 Ca 0.09 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 2axi h VAL 53 Cb 0.02 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2axi h VAL 53 CO -0.02 0.16 0.14 -0.07 0.02 0.00 0.00 177.57 177.80 2axi h LEU 54 N 0.85 0.79 -0.26 2.57 3.38 -0.73 -0.36 115.31 121.55 2axi h LEU 54 Ca 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2axi h LEU 54 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2axi h LEU 54 CO -0.13 0.81 0.09 0.15 0.09 0.00 0.00 178.44 179.45 2axi h PHE 55 N 0.73 0.40 -0.44 1.13 3.57 -0.50 -2.08 116.94 119.75 2axi h PHE 55 Ca 0.17 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2axi h PHE 55 Cb 0.32 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2axi h PHE 55 CO 0.02 0.43 0.10 1.88 -2.23 0.00 0.00 178.31 178.52 2axi h TYR 56 N 0.25 0.68 -0.41 0.41 0.99 -0.76 -0.98 116.97 117.16 2axi h TYR 56 Ca 0.08 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2axi h TYR 56 Cb 0.21 -0.20 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 2axi h TYR 56 CO -0.00 0.58 -0.03 1.25 -0.00 0.00 0.00 178.16 179.96 2axi h LEU 57 N 0.65 0.64 -0.61 3.88 5.85 -0.88 0.14 115.31 124.98 2axi h LEU 57 Ca 0.15 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2axi h LEU 57 Cb 0.25 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2axi h LEU 57 CO -0.00 0.73 0.33 1.23 -0.34 0.00 0.00 178.44 180.39 2axi h GLY 58 N 0.94 0.91 1.46 3.75 0.00 -0.65 -1.77 103.07 107.71 2axi h GLY 58 Ca 0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2axi h GLY 58 CO 0.02 0.40 -0.05 1.46 0.00 0.00 0.00 176.54 178.37 2axi h GLN 59 N 0.83 0.66 -0.13 4.80 4.20 -0.74 -1.65 115.11 123.08 2axi h GLN 59 Ca 0.21 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.77 2axi h GLN 59 Cb 0.05 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2axi h GLN 59 CO -0.03 0.71 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.88 2axi h TYR 60 N 0.62 -0.09 -0.95 2.96 3.20 -0.29 0.95 116.97 123.37 2axi h TYR 60 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2axi h TYR 60 Cb 0.46 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 2axi h TYR 60 CO 0.02 -0.07 0.59 0.82 -1.64 0.00 0.00 178.16 177.88 2axi h ILE 61 N -0.01 1.26 -0.01 1.81 2.04 -1.07 -0.79 117.51 120.73 2axi h ILE 61 Ca 0.06 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2axi h ILE 61 Cb 0.11 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 2axi h ILE 61 CO -0.14 0.26 0.01 -0.03 0.00 0.00 0.00 178.15 178.25 2axi h MET 62 N 1.31 0.02 -0.01 2.37 4.05 -0.92 -1.58 114.93 120.15 2axi h MET 62 Ca 0.34 -0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.59 2axi h MET 62 Cb -0.08 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 2axi h MET 62 CO -0.07 0.05 -0.78 0.00 0.23 0.00 0.00 176.91 176.34 2axi h THR 63 N -0.02 1.50 0.00 -0.77 1.03 -0.44 -2.42 112.91 111.78 2axi h THR 63 Ca 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 2axi h THR 63 Cb 0.04 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2axi h THR 63 CO -0.00 0.72 0.00 0.29 -0.01 0.00 0.00 175.52 176.52 2axi n LYS 64 N -3.69 0.32 -3.62 0.00 4.76 -0.34 -4.93 118.16 110.67 2axi n LYS 64 Ca -0.02 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 2axi n LYS 64 Cb 0.75 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.49 2axi n LYS 64 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2axi n ARG 65 N -1.33 -6.05 0.00 1.97 1.74 -0.65 -4.89 116.66 107.44 2axi n ARG 65 Ca 0.12 0.73 0.12 0.00 -0.77 0.00 0.00 57.85 58.05 2axi n ARG 65 Cb 0.25 -5.57 0.20 0.00 -1.02 0.00 0.00 32.46 26.32 2axi n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2axi n LEU 66 N -4.39 1.00 -4.86 0.55 4.77 -0.85 -4.85 117.00 108.37 2axi n LEU 66 Ca -0.21 -0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.17 2axi n LEU 66 Cb 0.64 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2axi n LEU 66 CO 0.66 0.21 0.47 -0.72 -1.33 0.00 0.00 177.39 176.68 2axi s TYR 67 N -2.74 3.43 -0.18 -1.77 -0.85 -1.26 -0.74 117.35 113.23 2axi s TYR 67 Ca 0.16 1.17 -0.29 0.00 -0.52 0.00 0.00 57.07 57.59 2axi s TYR 67 Cb 0.18 -2.53 -0.02 0.00 0.38 0.00 0.00 41.96 39.97 2axi s TYR 67 CO 0.64 -0.07 1.37 0.34 -1.52 0.00 0.00 175.55 176.32 2axi s ASP 68 N -2.81 6.78 0.58 -0.18 -1.08 -0.44 -4.91 116.67 114.62 2axi s ASP 68 Ca 0.53 1.67 0.29 0.00 -0.52 0.00 0.00 52.55 54.52 2axi s ASP 68 Cb -0.10 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.31 2axi s ASP 68 CO 0.26 -0.91 1.93 -0.33 0.52 0.00 0.00 175.17 176.64 2axi h GLU 69 N 8.92 0.00 0.00 4.34 5.08 -1.94 -2.19 114.58 128.79 2axi h GLU 69 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2axi h GLU 69 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2axi h GLU 69 CO 0.98 0.00 -1.24 1.63 -1.00 0.00 0.00 179.01 179.38 2axi n LYS 70 N -3.85 0.99 -3.32 2.33 5.02 -1.26 -4.72 118.16 113.35 2axi n LYS 70 Ca 0.09 -0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2axi n LYS 70 Cb 0.65 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 2axi n LYS 70 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2axi s GLN 71 N -2.88 0.86 0.14 1.97 0.74 -0.87 -5.03 119.66 114.59 2axi s GLN 71 Ca 0.01 -1.80 0.20 0.00 0.05 0.00 0.00 55.36 53.82 2axi s GLN 71 Cb 0.12 -1.19 0.83 0.00 1.10 0.00 0.00 33.01 33.88 2axi s GLN 71 CO 0.72 -1.35 1.62 1.04 -0.55 0.00 0.00 175.29 176.77 2axi n GLN 72 N 3.09 0.11 0.00 1.67 3.00 -0.94 -1.10 117.38 123.22 2axi n GLN 72 Ca 0.25 0.33 0.14 0.00 -0.01 0.00 0.00 57.00 57.71 2axi n GLN 72 Cb 0.47 -1.70 0.69 0.00 0.00 0.00 0.00 30.24 29.70 2axi n GLN 72 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 2axi n HIS 73 N -1.90 0.00 -3.27 1.08 1.44 -1.26 -4.58 115.22 106.73 2axi n HIS 73 Ca 0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.35 2axi n HIS 73 Cb 0.22 -0.25 -0.07 0.00 0.12 0.00 0.00 29.99 30.00 2axi n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2axi s ILE 74 N -2.56 5.11 -0.18 0.61 -1.09 -0.25 -0.18 121.20 122.65 2axi s ILE 74 Ca 0.28 0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 59.53 2axi s ILE 74 Cb 0.20 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2axi s ILE 74 CO 0.47 0.16 0.02 -0.69 -1.23 0.00 0.00 174.94 173.67 2axi s VAL 75 N 1.79 4.29 -0.41 2.92 1.01 0.24 -1.32 120.40 128.92 2axi s VAL 75 Ca 0.22 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2axi s VAL 75 Cb -0.15 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.40 2axi s VAL 75 CO 0.09 0.45 0.23 -0.47 0.00 0.00 0.00 175.10 175.41 2axi s TYR 76 N 0.61 3.44 -0.64 5.22 5.04 0.08 -1.32 117.35 129.78 2axi s TYR 76 Ca 0.01 -1.97 0.07 0.00 -2.44 0.00 0.00 57.07 52.74 2axi s TYR 76 Cb -0.14 -3.09 0.17 0.00 0.35 0.00 0.00 41.96 39.25 2axi s TYR 76 CO 0.02 -0.92 1.08 0.00 -1.34 0.00 0.00 175.55 174.38 2axi h SER 78 N 1.30 0.19 -0.43 0.00 0.87 -1.47 -2.05 113.55 111.96 2axi h SER 78 Ca 0.00 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2axi h SER 78 Cb 0.58 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 2axi h SER 78 CO 0.00 0.11 0.06 0.59 -0.53 0.00 0.00 176.83 177.06 2axi n ASN 79 N -4.44 4.04 -4.23 6.23 5.03 -1.26 -4.85 115.26 115.78 2axi n ASN 79 Ca 0.10 -3.20 -0.18 0.00 0.87 0.00 0.00 54.58 52.17 2axi n ASN 79 Cb 0.49 -0.63 -0.11 0.00 -1.02 0.00 0.00 39.78 38.51 2axi n ASN 79 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2axi s ASP 80 N -1.72 1.95 0.55 6.41 2.15 -0.80 -5.02 116.67 120.20 2axi s ASP 80 Ca 0.47 -0.80 0.27 0.00 0.43 0.00 0.00 52.55 52.92 2axi s ASP 80 Cb 0.39 -0.06 1.46 0.00 -0.30 0.00 0.00 42.92 44.40 2axi s ASP 80 CO 0.09 -0.15 1.97 0.25 -0.17 0.00 0.00 175.17 177.16 2axi h LEU 81 N 3.55 0.00 -1.66 -1.34 5.85 -1.92 -0.56 115.31 119.23 2axi h LEU 81 Ca -0.40 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2axi h LEU 81 Cb 1.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2axi h LEU 81 CO 0.50 0.00 0.31 0.25 -0.34 0.00 0.00 178.44 179.16 2axi h LEU 82 N 0.00 0.38 -1.81 2.25 5.85 -1.96 -0.29 115.31 119.73 2axi h LEU 82 Ca 0.24 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 2axi h LEU 82 Cb 1.07 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2axi h LEU 82 CO -0.00 0.26 -0.13 1.23 -0.34 0.00 0.00 178.44 179.45 2axi h GLY 83 N 0.44 0.00 1.57 3.75 0.00 -0.83 -1.23 103.07 106.76 2axi h GLY 83 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 2axi h GLY 83 CO -0.05 0.00 -0.52 -0.55 0.00 0.00 0.00 176.54 175.42 2axi h ASP 84 N 0.00 0.50 -0.26 0.19 3.32 -1.15 0.54 116.42 119.56 2axi h ASP 84 Ca -0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 2axi h ASP 84 Cb 0.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2axi h ASP 84 CO 0.02 0.93 0.04 0.25 -1.72 0.00 0.00 179.24 178.76 2axi h LEU 85 N 0.35 0.41 0.00 1.55 5.85 -1.09 -3.25 115.31 119.14 2axi h LEU 85 Ca 0.01 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2axi h LEU 85 Cb 1.04 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2axi h LEU 85 CO 0.09 0.57 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.87 2axi h PHE 86 N 0.24 0.00 -0.31 1.25 0.04 -1.35 -3.48 116.94 113.33 2axi h PHE 86 Ca 0.08 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 2axi h PHE 86 Cb 0.33 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 2axi h PHE 86 CO 0.02 0.15 -0.12 0.41 -0.60 0.00 0.00 178.31 178.17 2axi n GLY 87 N 1.19 0.84 3.04 -1.45 0.00 0.18 -5.01 105.19 103.98 2axi n GLY 87 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 2axi n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2axi s VAL 88 N -2.07 0.17 -0.24 1.61 -7.23 -1.23 -5.04 120.40 106.38 2axi s VAL 88 Ca 0.00 -1.39 0.28 0.00 -1.81 0.00 0.00 61.98 59.07 2axi s VAL 88 Cb 0.00 -0.94 0.34 0.00 0.56 0.00 0.00 36.38 36.34 2axi s VAL 88 CO 0.00 -0.77 1.82 1.55 -0.31 0.00 0.00 175.10 177.40 2axi h PRO 89 N 3.84 0.00 -2.71 4.82 0.13 -1.91 -3.41 132.00 132.76 2axi h PRO 89 Ca -0.33 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2axi h PRO 89 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2axi h PRO 89 CO 0.54 0.00 0.30 -1.54 -0.23 0.00 0.00 178.00 177.07 2axi s SER 90 N -5.36 -0.51 0.13 1.44 1.04 -1.26 -0.84 113.70 108.34 2axi s SER 90 Ca 0.04 0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.26 2axi s SER 90 Cb 0.09 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.80 2axi s SER 90 CO 0.54 -0.84 0.85 0.72 0.98 0.00 0.00 173.24 175.50 2axi s PHE 91 N -3.39 -0.25 -0.02 5.02 -0.12 -0.43 -4.97 117.98 113.81 2axi s PHE 91 Ca 0.02 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.86 2axi s PHE 91 Cb -0.01 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 2axi s PHE 91 CO -0.10 -0.83 0.11 0.45 -0.05 0.00 0.00 175.22 174.80 2axi s SER 92 N -2.79 5.88 0.25 1.98 0.15 -1.26 -0.59 113.70 117.32 2axi s SER 92 Ca 0.09 0.22 0.20 0.00 0.70 0.00 0.00 55.95 57.16 2axi s SER 92 Cb -0.02 -1.75 0.97 0.00 -1.71 0.00 0.00 66.02 63.52 2axi s SER 92 CO -0.02 0.28 1.62 1.33 1.20 0.00 0.00 173.24 177.65 2axi n VAL 93 N 1.20 1.03 0.43 4.45 0.24 0.75 -1.09 118.33 125.34 2axi n VAL 93 Ca -0.13 0.48 0.12 0.00 -2.04 0.00 0.00 64.34 62.78 2axi n VAL 93 Cb 0.53 -1.44 0.48 0.00 -1.47 0.00 0.00 33.84 31.94 2axi n VAL 93 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2axi h LYS 94 N 0.00 0.00 -3.43 7.34 1.57 -1.94 -3.37 116.57 116.74 2axi h LYS 94 Ca 0.00 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.07 2axi h LYS 94 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2axi h LYS 94 CO 0.00 0.00 3.10 0.39 -0.57 0.00 0.00 179.45 182.37 2axi n GLU 95 N -2.30 3.47 -0.13 3.15 1.02 -0.25 -4.77 120.64 120.82 2axi n GLU 95 Ca 0.03 -2.73 -0.07 0.00 -0.02 0.00 0.00 57.16 54.37 2axi n GLU 95 Cb 0.27 -2.99 0.01 0.00 -0.02 0.00 0.00 31.44 28.72 2axi n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2axi h HIS 96 N 5.47 0.45 -0.52 -0.32 3.86 -1.85 -0.83 115.15 121.40 2axi h HIS 96 Ca 0.66 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.88 2axi h HIS 96 Cb 0.48 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2axi h HIS 96 CO 1.58 0.26 0.33 -0.09 0.86 0.00 0.00 177.93 180.87 2axi h ARG 97 N 0.49 0.69 -0.72 2.45 2.43 -1.97 -0.74 114.38 117.01 2axi h ARG 97 Ca 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2axi h ARG 97 Cb 0.02 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2axi h ARG 97 CO -0.08 0.49 0.41 -0.22 -1.51 0.00 0.00 179.97 179.06 2axi h LYS 98 N 0.70 0.99 0.02 0.20 3.64 -1.87 0.50 116.57 120.76 2axi h LYS 98 Ca 0.19 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2axi h LYS 98 Cb -0.04 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2axi h LYS 98 CO -0.04 0.73 -0.01 0.82 -2.27 0.00 0.00 179.45 178.68 2axi h ILE 99 N 0.99 1.06 -0.55 2.00 2.04 -0.61 0.06 117.51 122.50 2axi h ILE 99 Ca 0.26 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2axi h ILE 99 Cb 0.01 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2axi h ILE 99 CO -0.04 0.06 0.36 1.88 0.00 0.00 0.00 178.15 180.41 2axi h TYR 100 N -0.14 0.69 -0.21 1.37 -1.99 -1.06 -1.47 116.97 114.16 2axi h TYR 100 Ca -0.00 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.75 2axi h TYR 100 Cb 0.13 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 2axi h TYR 100 CO -0.04 0.44 0.12 1.15 -0.00 0.00 0.00 178.16 179.82 2axi h THR 101 N 0.74 1.02 -0.40 -2.88 2.02 -0.56 0.13 112.91 112.98 2axi h THR 101 Ca 0.20 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 2axi h THR 101 Cb -0.08 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2axi h THR 101 CO -0.04 0.05 -0.19 0.24 0.37 0.00 0.00 175.52 175.94 2axi h MET 102 N 0.25 0.77 -0.20 6.66 2.86 -0.76 -1.27 114.93 123.23 2axi h MET 102 Ca 0.08 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 2axi h MET 102 Cb 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2axi h MET 102 CO -0.04 0.90 -0.05 0.82 1.06 0.00 0.00 176.91 179.60 2axi h ILE 103 N 0.68 1.28 -0.15 -1.22 2.04 -1.06 -2.97 117.51 116.12 2axi h ILE 103 Ca 0.10 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 2axi h ILE 103 Cb 0.69 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2axi h ILE 103 CO 0.05 0.31 -0.01 1.88 0.00 0.00 0.00 178.15 180.38 2axi h TYR 104 N 0.11 0.21 0.00 1.37 0.99 -0.72 0.06 116.97 118.98 2axi h TYR 104 Ca 0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2axi h TYR 104 Cb 0.49 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.16 2axi h TYR 104 CO 0.05 0.23 0.00 0.54 -0.00 0.00 0.00 178.16 178.98 2axi n ARG 105 N -4.40 0.06 -0.65 4.88 1.74 -0.50 -2.18 116.66 115.62 2axi n ARG 105 Ca -0.01 0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.23 2axi n ARG 105 Cb 0.17 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.38 2axi n ARG 105 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2axi n ASN 106 N -1.46 3.93 -4.07 0.55 4.13 0.00 -4.98 115.26 113.36 2axi n ASN 106 Ca 0.06 -3.19 -0.10 0.00 1.68 0.00 0.00 54.58 53.03 2axi n ASN 106 Cb 0.23 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 37.79 2axi n ASN 106 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2axi s LEU 107 N -2.94 0.70 -0.15 3.41 0.05 -0.93 -0.92 118.68 117.91 2axi s LEU 107 Ca 0.46 -1.10 0.00 0.00 0.05 0.00 0.00 54.13 53.54 2axi s LEU 107 Cb 0.38 1.18 -0.00 0.00 -2.05 0.00 0.00 46.19 45.69 2axi s LEU 107 CO 0.09 -1.00 -0.15 0.68 -0.55 0.00 0.00 176.35 175.41 2axi s VAL 108 N -4.07 2.73 0.01 1.48 -7.23 0.09 -4.87 120.40 108.56 2axi s VAL 108 Ca 0.28 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 2axi s VAL 108 Cb 0.03 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2axi s VAL 108 CO 0.09 0.52 1.29 -0.69 -0.31 0.00 0.00 175.10 176.00 2axi s VAL 109 N 0.71 3.91 0.34 1.32 1.01 -1.26 -0.55 120.40 125.87 2axi s VAL 109 Ca -0.07 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 2axi s VAL 109 Cb -0.16 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 2axi s VAL 109 CO 0.02 0.04 1.48 -0.69 0.00 0.00 0.00 175.10 175.94 2axi s VAL 110 N 1.83 2.21 0.02 2.92 1.01 -0.39 -4.96 120.40 123.05 2axi s VAL 110 Ca 0.60 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.52 2axi s VAL 110 Cb -0.30 -3.13 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 2axi s VAL 110 CO 0.26 0.04 1.30 0.78 0.00 0.00 0.00 175.10 177.49 2axi h ASN 111 N 3.67 -0.51 -2.85 3.32 -0.26 -1.94 -3.38 115.58 113.64 2axi h ASN 111 Ca -0.49 -0.09 -0.62 0.00 -0.56 0.00 0.00 56.30 54.54 2axi h ASN 111 Cb 1.23 0.13 -0.13 0.00 -1.06 0.00 0.00 38.32 38.49 2axi h ASN 111 CO 0.69 -0.18 0.58 -1.58 -1.06 0.00 0.00 177.43 175.88 2axi s GLN 112 N -4.98 3.20 0.93 0.81 2.00 -1.26 -5.02 119.66 115.34 2axi s GLN 112 Ca -0.15 -0.57 -0.15 0.00 -2.00 0.00 0.00 55.36 52.49 2axi s GLN 112 Cb 0.02 -4.16 0.18 0.00 0.80 0.00 0.00 33.01 29.86 2axi s GLN 112 CO 0.54 -1.71 1.29 -0.65 -0.50 0.00 0.00 175.29 174.26 2axi s GLN 113 N 4.13 0.85 0.00 1.67 -1.52 -1.26 -4.99 119.66 118.53 2axi s GLN 113 Ca 0.26 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.30 2axi s GLN 113 Cb -0.15 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.76 2axi s GLN 113 CO 0.14 -2.27 0.00 0.39 -0.25 0.00 0.00 175.29 173.30