#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lbk s LEU 27 N 0.00 2.32 0.05 -4.42 1.43 -1.26 -4.29 118.68 112.50 3lbk s LEU 27 Ca 0.00 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 3lbk s LEU 27 Cb 0.00 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.03 3lbk s LEU 27 CO 0.00 -0.26 0.04 0.68 0.23 0.00 0.00 176.35 177.04 3lbk s VAL 28 N -1.92 0.17 -0.25 -1.59 -7.23 0.29 -2.52 120.40 107.35 3lbk s VAL 28 Ca -0.04 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3lbk s VAL 28 Cb -0.06 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.78 3lbk s VAL 28 CO -0.01 -0.76 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.34 3lbk s ARG 29 N -3.17 2.61 0.41 4.82 3.52 -0.02 0.03 118.95 127.14 3lbk s ARG 29 Ca -0.00 -1.12 -0.27 0.00 -0.13 0.00 0.00 55.73 54.21 3lbk s ARG 29 Cb 0.02 -2.93 -0.10 0.00 -1.56 0.00 0.00 34.95 30.38 3lbk s ARG 29 CO -0.07 -0.46 1.47 -1.25 -0.81 0.00 0.00 175.30 174.18 3lbk s PRO 30 N 1.24 3.92 0.68 5.12 0.04 -1.26 -0.69 135.00 144.04 3lbk s PRO 30 Ca -0.03 2.53 -0.15 0.00 0.04 0.00 0.00 61.00 63.39 3lbk s PRO 30 Cb -0.18 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.54 3lbk s PRO 30 CO -0.05 -0.67 1.14 0.15 0.04 0.00 0.00 177.00 177.60 3lbk s LYS 31 N -2.26 2.61 0.37 4.56 1.02 0.15 -4.57 119.74 121.62 3lbk s LYS 31 Ca 0.56 1.49 0.15 0.00 0.02 0.00 0.00 55.97 58.20 3lbk s LYS 31 Cb -0.46 -1.92 1.01 0.00 -0.52 0.00 0.00 37.83 35.95 3lbk s LYS 31 CO 0.61 -1.42 1.76 -1.35 -0.92 0.00 0.00 175.35 174.03 3lbk h PRO 32 N -0.07 0.46 -0.26 -1.68 0.11 -1.93 -0.78 132.00 127.86 3lbk h PRO 32 Ca -0.47 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3lbk h PRO 32 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3lbk h PRO 32 CO 0.53 0.31 -0.48 0.93 -0.21 0.00 0.00 178.00 179.07 3lbk h GLU 33 N 0.48 0.78 -0.53 1.05 4.39 -1.93 0.33 114.58 119.15 3lbk h GLU 33 Ca 0.61 -0.50 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 3lbk h GLU 33 Cb 1.38 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.07 3lbk h GLU 33 CO -0.36 1.12 -0.12 1.25 -1.16 0.00 0.00 179.01 179.75 3lbk h LEU 34 N 0.53 1.01 -0.84 1.33 5.85 -1.60 -1.86 115.31 119.74 3lbk h LEU 34 Ca 0.01 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.47 3lbk h LEU 34 Cb 1.09 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3lbk h LEU 34 CO 0.11 1.13 0.50 0.25 -0.34 0.00 0.00 178.44 180.09 3lbk h LEU 35 N 0.89 0.76 -0.29 2.25 5.85 -0.75 0.71 115.31 124.74 3lbk h LEU 35 Ca 0.14 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3lbk h LEU 35 Cb 0.68 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3lbk h LEU 35 CO 0.05 0.46 0.13 0.11 -0.34 0.00 0.00 178.44 178.86 3lbk h LYS 36 N 0.88 0.42 -0.66 1.25 1.57 -0.81 0.11 116.57 119.34 3lbk h LYS 36 Ca 0.38 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3lbk h LYS 36 Cb 0.26 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3lbk h LYS 36 CO -0.20 0.41 0.43 1.25 -0.57 0.00 0.00 179.45 180.77 3lbk h LEU 37 N 0.33 0.76 -0.97 2.94 5.85 -0.53 -0.28 115.31 123.41 3lbk h LEU 37 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3lbk h LEU 37 Cb 0.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3lbk h LEU 37 CO -0.01 0.55 0.21 -0.07 -0.34 0.00 0.00 178.44 178.78 3lbk h LEU 38 N 0.89 0.89 -0.93 2.25 3.38 0.75 -2.61 115.31 119.93 3lbk h LEU 38 Ca 0.24 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3lbk h LEU 38 Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3lbk h LEU 38 CO -0.05 0.83 -0.44 0.11 0.09 0.00 0.00 178.44 178.97 3lbk h LYS 39 N 0.93 0.20 0.00 1.13 1.57 -0.41 -2.28 116.57 117.71 3lbk h LYS 39 Ca 0.21 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3lbk h LYS 39 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3lbk h LYS 39 CO -0.01 0.61 -0.06 0.66 -0.57 0.00 0.00 179.45 180.08 3lbk h SER 40 N 0.17 0.00 -0.49 0.86 4.64 -0.66 0.22 113.55 118.29 3lbk h SER 40 Ca 0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3lbk h SER 40 Cb 0.85 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 3lbk h SER 40 CO 0.07 0.06 0.09 1.33 -0.87 0.00 0.00 176.83 177.51 3lbk n VAL 41 N -3.70 2.20 -2.59 0.95 0.24 -1.08 -4.94 118.33 109.41 3lbk n VAL 41 Ca -0.02 -1.13 -0.07 0.00 -2.04 0.00 0.00 64.34 61.08 3lbk n VAL 41 Cb 0.16 -0.39 0.01 0.00 -1.47 0.00 0.00 33.84 32.16 3lbk n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lbk n GLY 42 N 0.25 0.36 3.75 7.63 0.00 0.78 -4.99 105.19 112.96 3lbk n GLY 42 Ca 0.25 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3lbk n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lbk s ALA 43 N -2.82 3.34 -0.30 4.61 0.00 -0.88 -4.97 121.76 120.75 3lbk s ALA 43 Ca 0.12 0.65 0.18 0.00 0.00 0.00 0.00 51.96 52.91 3lbk s ALA 43 Cb -0.05 -3.23 -0.26 0.00 0.00 0.00 0.00 23.12 19.58 3lbk s ALA 43 CO 0.14 0.16 0.52 1.04 0.00 0.00 0.00 175.76 177.62 3lbk n GLN 44 N 1.52 0.73 -1.59 0.00 1.13 -1.26 -4.48 117.38 113.42 3lbk n GLN 44 Ca -0.02 -0.11 -0.11 0.00 -1.94 0.00 0.00 57.00 54.82 3lbk n GLN 44 Cb 0.47 -1.41 0.06 0.00 0.11 0.00 0.00 30.24 29.47 3lbk n GLN 44 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3lbk n LYS 45 N -1.91 0.27 0.00 -1.09 5.02 -1.26 -5.04 118.16 114.15 3lbk n LYS 45 Ca -0.01 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 3lbk n LYS 45 Cb 0.42 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 3lbk n LYS 45 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3lbk n ASP 46 N -2.95 0.74 -3.66 4.39 9.92 -1.26 -5.01 116.55 118.71 3lbk n ASP 46 Ca 0.08 -1.34 -0.08 0.00 -0.53 0.00 0.00 54.79 52.92 3lbk n ASP 46 Cb 0.29 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.68 3lbk n ASP 46 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3lbk s THR 47 N -0.34 -0.50 0.30 -3.53 -4.23 -1.26 -4.47 115.64 101.61 3lbk s THR 47 Ca 0.00 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.70 3lbk s THR 47 Cb 0.00 -0.72 -0.06 0.00 1.34 0.00 0.00 72.50 73.06 3lbk s THR 47 CO 0.00 0.05 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.75 3lbk s TYR 48 N 2.29 2.09 0.65 3.99 1.51 0.10 -4.87 117.35 123.11 3lbk s TYR 48 Ca -0.05 -0.64 -0.12 0.00 -1.01 0.00 0.00 57.07 55.25 3lbk s TYR 48 Cb -0.11 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 3lbk s TYR 48 CO -0.14 0.37 1.05 0.95 -1.11 0.00 0.00 175.55 176.67 3lbk s THR 49 N -2.89 4.15 0.16 -0.71 -4.23 -1.26 0.11 115.64 110.96 3lbk s THR 49 Ca 0.30 0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 61.42 3lbk s THR 49 Cb 0.03 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.41 3lbk s THR 49 CO 0.13 -0.84 1.72 0.24 -0.54 0.00 0.00 174.62 175.33 3lbk h MET 50 N -0.34 0.16 -0.80 3.99 2.86 -1.94 -1.49 114.93 117.37 3lbk h MET 50 Ca -0.45 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.32 3lbk h MET 50 Cb 1.21 -0.04 -0.14 0.00 0.06 0.00 0.00 31.60 32.69 3lbk h MET 50 CO 0.58 0.11 -0.35 0.87 1.06 0.00 0.00 176.91 179.18 3lbk h LYS 51 N 0.17 -0.07 -0.31 1.72 6.56 -1.94 1.89 116.57 124.58 3lbk h LYS 51 Ca 0.17 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.72 3lbk h LYS 51 Cb 0.21 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3lbk h LYS 51 CO -0.24 -0.05 0.00 0.93 -2.06 0.00 0.00 179.45 178.03 3lbk h GLU 52 N -0.07 0.47 0.26 3.15 5.08 -1.85 0.90 114.58 122.53 3lbk h GLU 52 Ca 0.30 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3lbk h GLU 52 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3lbk h GLU 52 CO -0.84 0.50 -0.13 0.28 -1.00 0.00 0.00 179.01 177.82 3lbk h VAL 53 N 0.45 0.77 -0.88 3.13 2.07 0.16 -2.41 116.25 119.55 3lbk h VAL 53 Ca 0.10 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.02 3lbk h VAL 53 Cb 0.30 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3lbk h VAL 53 CO 0.01 0.13 0.56 -0.07 0.02 0.00 0.00 177.57 178.22 3lbk h LEU 54 N -0.71 0.92 0.29 2.57 3.38 0.27 -0.76 115.31 121.27 3lbk h LEU 54 Ca -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3lbk h LEU 54 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3lbk h LEU 54 CO 0.06 0.62 -0.28 0.15 0.09 0.00 0.00 178.44 179.09 3lbk h PHE 55 N 1.07 -0.74 0.00 1.13 3.57 -0.83 -1.65 116.94 119.49 3lbk h PHE 55 Ca 0.36 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 3lbk h PHE 55 Cb 0.05 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3lbk h PHE 55 CO -0.02 -0.40 -0.16 1.88 -2.23 0.00 0.00 178.31 177.38 3lbk h TYR 56 N -0.60 0.00 0.93 0.41 0.05 -1.06 -2.14 116.97 114.56 3lbk h TYR 56 Ca -0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3lbk h TYR 56 Cb 0.54 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.29 3lbk h TYR 56 CO -0.17 0.16 -0.45 -0.07 -1.05 0.00 0.00 178.16 176.58 3lbk h LEU 57 N 0.00 -1.06 -1.22 3.88 3.38 -0.82 0.88 115.31 120.35 3lbk h LEU 57 Ca -0.00 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.19 3lbk h LEU 57 Cb 0.31 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 3lbk h LEU 57 CO 0.02 -0.73 0.61 1.23 0.09 0.00 0.00 178.44 179.66 3lbk h GLY 58 N -1.32 1.39 1.01 0.83 0.00 -1.25 0.31 103.07 104.04 3lbk h GLY 58 Ca -0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3lbk h GLY 58 CO 0.21 -0.00 0.16 1.46 0.00 0.00 0.00 176.54 178.37 3lbk h GLN 59 N 0.65 0.94 0.02 4.80 1.08 -1.26 0.57 115.11 121.91 3lbk h GLN 59 Ca 0.52 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3lbk h GLN 59 Cb 0.94 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3lbk h GLN 59 CO -0.28 0.85 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.53 3lbk h TYR 60 N 0.85 -0.02 -0.65 2.96 3.20 0.20 0.21 116.97 123.72 3lbk h TYR 60 Ca 0.19 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.15 3lbk h TYR 60 Cb 0.32 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 3lbk h TYR 60 CO 0.02 0.02 0.30 0.82 -1.64 0.00 0.00 178.16 177.68 3lbk h ILE 61 N -0.05 0.84 -0.05 1.81 2.04 -0.30 0.26 117.51 122.06 3lbk h ILE 61 Ca -0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3lbk h ILE 61 Cb 0.04 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3lbk h ILE 61 CO 0.00 0.10 0.00 0.24 0.00 0.00 0.00 178.15 178.49 3lbk h MET 62 N 0.53 0.08 0.00 2.37 2.86 -0.73 -0.46 114.93 119.57 3lbk h MET 62 Ca 0.32 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3lbk h MET 62 Cb 0.34 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3lbk h MET 62 CO -0.27 0.34 0.00 1.79 1.06 0.00 0.00 176.91 179.84 3lbk h THR 63 N -0.20 0.00 -0.02 2.22 1.35 0.02 -2.70 112.91 113.58 3lbk h THR 63 Ca 0.01 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3lbk h THR 63 Cb 0.31 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3lbk h THR 63 CO 0.00 0.00 -0.08 0.29 -0.25 0.00 0.00 175.52 175.48 3lbk n LYS 64 N -2.45 1.88 -3.28 4.72 4.76 0.86 -4.99 118.16 119.66 3lbk n LYS 64 Ca 0.04 -1.43 -0.15 0.00 -2.87 0.00 0.00 58.31 53.90 3lbk n LYS 64 Cb 0.40 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 32.20 3lbk n LYS 64 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3lbk n ARG 65 N 0.69 -5.66 0.00 1.97 1.74 -0.93 -4.93 116.66 109.53 3lbk n ARG 65 Ca 0.15 0.78 0.12 0.00 -0.77 0.00 0.00 57.85 58.12 3lbk n ARG 65 Cb 0.49 -5.56 0.16 0.00 -1.02 0.00 0.00 32.46 26.53 3lbk n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3lbk n LEU 66 N -3.78 0.91 -4.90 0.55 4.77 -0.23 -4.91 117.00 109.41 3lbk n LEU 66 Ca -0.25 -0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.19 3lbk n LEU 66 Cb 0.65 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3lbk n LEU 66 CO 0.55 0.20 0.32 -0.72 -1.33 0.00 0.00 177.39 176.41 3lbk s TYR 67 N -2.83 3.50 -0.26 -1.77 -0.85 -1.26 0.29 117.35 114.17 3lbk s TYR 67 Ca 0.14 0.74 -0.12 0.00 -0.52 0.00 0.00 57.07 57.31 3lbk s TYR 67 Cb 0.18 -2.20 -0.05 0.00 0.38 0.00 0.00 41.96 40.27 3lbk s TYR 67 CO 0.69 -0.02 0.24 0.34 -1.52 0.00 0.00 175.55 175.28 3lbk s ASP 68 N -3.53 6.13 0.55 -0.18 3.68 -0.72 -4.80 116.67 117.81 3lbk s ASP 68 Ca 0.46 0.14 0.28 0.00 2.13 0.00 0.00 52.55 55.55 3lbk s ASP 68 Cb -0.10 -2.14 1.60 0.00 -1.45 0.00 0.00 42.92 40.83 3lbk s ASP 68 CO 0.35 -0.04 2.16 1.05 0.13 0.00 0.00 175.17 178.81 3lbk h GLU 69 N 7.97 0.00 -0.01 4.34 9.09 -1.94 0.49 114.58 134.51 3lbk h GLU 69 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 3lbk h GLU 69 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3lbk h GLU 69 CO 0.62 0.07 -0.51 1.63 0.05 0.00 0.00 179.01 180.87 3lbk n LYS 70 N -3.78 1.07 -0.07 1.06 5.02 -1.26 -4.16 118.16 116.04 3lbk n LYS 70 Ca -0.02 -0.87 -0.06 0.00 -2.02 0.00 0.00 58.31 55.34 3lbk n LYS 70 Cb 0.16 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 3lbk n LYS 70 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3lbk n GLN 71 N -0.21 1.61 0.00 1.97 1.13 -1.07 -5.04 117.38 115.77 3lbk n GLN 71 Ca 0.09 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3lbk n GLN 71 Cb 0.45 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3lbk n GLN 71 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 3lbk n GLN 72 N -2.49 0.00 -2.62 -1.09 0.00 0.17 -4.29 117.38 107.06 3lbk n GLN 72 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.79 3lbk n GLN 72 Cb 0.92 -0.54 0.05 0.00 0.00 0.00 0.00 30.24 30.67 3lbk n GLN 72 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 3lbk n HIS 73 N -0.75 0.79 -4.20 3.69 -0.00 -1.26 -4.94 115.22 108.54 3lbk n HIS 73 Ca 0.00 -1.86 -0.34 0.00 -0.00 0.00 0.00 57.72 55.52 3lbk n HIS 73 Cb 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 29.99 29.80 3lbk n HIS 73 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3lbk s ILE 74 N -2.91 3.67 -0.29 0.61 -1.09 -1.26 -1.34 121.20 118.58 3lbk s ILE 74 Ca 0.26 -0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.14 3lbk s ILE 74 Cb 0.34 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 3lbk s ILE 74 CO -0.06 0.45 0.27 -0.69 -1.23 0.00 0.00 174.94 173.68 3lbk s VAL 75 N 0.89 5.25 -0.59 2.92 1.01 -0.02 -1.75 120.40 128.12 3lbk s VAL 75 Ca -0.00 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3lbk s VAL 75 Cb -0.15 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.71 3lbk s VAL 75 CO 0.01 0.15 0.68 -0.31 0.00 0.00 0.00 175.10 175.64 3lbk s TYR 76 N 1.87 3.03 -1.59 5.22 2.02 0.84 -2.02 117.35 126.72 3lbk s TYR 76 Ca 0.10 -1.01 0.17 0.00 -0.37 0.00 0.00 57.07 55.96 3lbk s TYR 76 Cb -0.16 -3.99 0.41 0.00 -0.40 0.00 0.00 41.96 37.81 3lbk s TYR 76 CO 0.11 -1.27 1.32 0.00 -1.57 0.00 0.00 175.55 174.14 3lbk n SER 78 N 1.06 1.92 -3.54 0.00 2.88 0.27 -2.90 113.62 113.30 3lbk n SER 78 Ca 0.16 0.92 -0.23 0.00 -1.33 0.00 0.00 58.87 58.39 3lbk n SER 78 Cb 0.50 -1.49 0.05 0.00 -0.75 0.00 0.00 64.21 62.52 3lbk n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3lbk n ASN 79 N -0.83 -4.68 -3.54 -3.46 3.02 -1.26 -4.96 115.26 99.55 3lbk n ASN 79 Ca 0.12 -0.86 -0.11 0.00 -0.03 0.00 0.00 54.58 53.69 3lbk n ASN 79 Cb 0.45 -4.18 -0.04 0.00 -0.61 0.00 0.00 39.78 35.39 3lbk n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3lbk s ASP 80 N -3.68 -0.42 0.34 6.41 2.15 -1.14 -5.04 116.67 115.29 3lbk s ASP 80 Ca 0.35 0.32 0.11 0.00 0.43 0.00 0.00 52.55 53.75 3lbk s ASP 80 Cb -0.09 0.38 0.89 0.00 -0.30 0.00 0.00 42.92 43.80 3lbk s ASP 80 CO 0.81 -0.50 1.78 0.25 -0.17 0.00 0.00 175.17 177.34 3lbk h LEU 81 N 2.44 0.64 -0.55 -1.34 5.85 -1.95 -1.84 115.31 118.56 3lbk h LEU 81 Ca -0.21 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3lbk h LEU 81 Cb 1.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3lbk h LEU 81 CO 0.33 0.19 0.36 0.25 -0.34 0.00 0.00 178.44 179.23 3lbk h LEU 82 N 0.61 0.61 -0.66 2.25 5.85 -1.96 0.23 115.31 122.24 3lbk h LEU 82 Ca 0.58 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 59.19 3lbk h LEU 82 Cb 1.12 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3lbk h LEU 82 CO -0.35 0.44 0.03 1.23 -0.34 0.00 0.00 178.44 179.45 3lbk h GLY 83 N 0.73 1.16 0.91 3.75 0.00 -1.28 0.40 103.07 108.73 3lbk h GLY 83 Ca 0.21 -0.83 0.04 0.00 0.00 0.00 0.00 47.33 46.75 3lbk h GLY 83 CO -0.06 0.76 0.63 -0.55 0.00 0.00 0.00 176.54 177.33 3lbk h ASP 84 N 0.99 1.03 -0.17 0.19 3.32 -1.13 1.04 116.42 121.69 3lbk h ASP 84 Ca 0.18 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 3lbk h ASP 84 Cb 0.52 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.85 3lbk h ASP 84 CO 0.03 0.70 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.60 3lbk h LEU 85 N 1.20 0.81 0.00 1.55 3.38 -0.14 -3.29 115.31 118.81 3lbk h LEU 85 Ca 0.39 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3lbk h LEU 85 Cb 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3lbk h LEU 85 CO -0.12 1.27 -0.20 -0.26 0.09 0.00 0.00 178.44 179.22 3lbk h PHE 86 N 0.40 0.00 -3.75 1.13 -1.00 -0.01 -3.46 116.94 110.25 3lbk h PHE 86 Ca -0.02 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.47 3lbk h PHE 86 Cb 1.21 0.00 0.07 0.00 3.61 0.00 0.00 35.95 40.83 3lbk h PHE 86 CO 0.09 0.00 -0.45 0.41 -1.61 0.00 0.00 178.31 176.76 3lbk n GLY 87 N 1.18 -0.13 3.43 -1.45 0.00 0.36 -4.94 105.19 103.63 3lbk n GLY 87 Ca 0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 3lbk n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lbk s VAL 88 N -3.09 0.02 -0.32 1.61 -7.23 -1.12 -5.05 120.40 105.22 3lbk s VAL 88 Ca 0.30 -0.15 0.23 0.00 -1.81 0.00 0.00 61.98 60.54 3lbk s VAL 88 Cb -0.13 -0.86 0.15 0.00 0.56 0.00 0.00 36.38 36.10 3lbk s VAL 88 CO 0.37 -0.09 1.30 1.55 -0.31 0.00 0.00 175.10 177.92 3lbk h PRO 89 N 3.43 0.00 -1.94 4.82 0.13 -1.90 -3.40 132.00 133.14 3lbk h PRO 89 Ca -0.28 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.08 3lbk h PRO 89 Cb 1.15 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 3lbk h PRO 89 CO 0.38 0.00 0.64 -1.54 -0.23 0.00 0.00 178.00 177.25 3lbk s SER 90 N -5.75 -0.15 -0.03 1.44 1.04 -1.26 -0.57 113.70 108.42 3lbk s SER 90 Ca 0.03 -0.23 -0.29 0.00 0.48 0.00 0.00 55.95 55.94 3lbk s SER 90 Cb 0.07 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.63 3lbk s SER 90 CO 0.74 -0.60 0.87 0.72 0.98 0.00 0.00 173.24 175.95 3lbk s PHE 91 N -2.88 -0.40 0.19 5.02 -0.12 -0.86 -4.96 117.98 113.96 3lbk s PHE 91 Ca 0.12 0.43 -0.26 0.00 -0.05 0.00 0.00 56.93 57.16 3lbk s PHE 91 Cb 0.01 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.82 3lbk s PHE 91 CO -0.02 -0.53 0.81 0.45 -0.05 0.00 0.00 175.22 175.88 3lbk s SER 92 N -2.03 7.43 0.05 1.98 0.15 -1.26 -0.84 113.70 119.18 3lbk s SER 92 Ca 0.01 1.70 0.14 0.00 0.70 0.00 0.00 55.95 58.51 3lbk s SER 92 Cb -0.01 -2.52 0.60 0.00 -1.71 0.00 0.00 66.02 62.38 3lbk s SER 92 CO -0.05 0.19 1.44 1.33 1.20 0.00 0.00 173.24 177.35 3lbk n VAL 93 N 1.50 1.12 0.56 4.45 0.24 -0.45 -1.83 118.33 123.93 3lbk n VAL 93 Ca -0.05 0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 3lbk n VAL 93 Cb 0.48 -1.12 0.45 0.00 -1.47 0.00 0.00 33.84 32.18 3lbk n VAL 93 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3lbk n LYS 94 N -1.64 0.21 -2.99 7.34 5.02 -1.26 -4.53 118.16 120.32 3lbk n LYS 94 Ca 0.03 0.28 -0.44 0.00 -2.02 0.00 0.00 58.31 56.15 3lbk n LYS 94 Cb 0.15 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 3lbk n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3lbk s GLU 95 N -3.17 3.76 0.18 1.97 2.02 -0.76 -4.87 118.70 117.83 3lbk s GLU 95 Ca 0.08 -2.12 -0.07 0.00 0.02 0.00 0.00 54.97 52.89 3lbk s GLU 95 Cb 0.12 -4.89 0.06 0.00 0.10 0.00 0.00 34.13 29.51 3lbk s GLU 95 CO 0.51 -1.70 1.53 0.45 0.02 0.00 0.00 175.26 176.06 3lbk h HIS 96 N 8.18 0.95 -0.12 1.61 3.86 -1.86 -2.33 115.15 125.45 3lbk h HIS 96 Ca 0.20 -0.28 -0.18 0.00 -1.16 0.00 0.00 60.37 58.95 3lbk h HIS 96 Cb 0.98 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 29.25 3lbk h HIS 96 CO 1.12 1.05 -0.62 0.00 0.86 0.00 0.00 177.93 180.35 3lbk h ARG 97 N 0.65 0.63 -0.14 2.45 3.08 -1.98 -0.59 114.38 118.48 3lbk h ARG 97 Ca 0.06 -0.52 0.04 0.00 0.07 0.00 0.00 59.98 59.63 3lbk h ARG 97 Cb 0.94 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 3lbk h ARG 97 CO 0.09 1.14 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.79 3lbk h LYS 98 N 0.28 -0.12 -0.58 0.04 3.64 -1.95 0.37 116.57 118.25 3lbk h LYS 98 Ca -0.04 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3lbk h LYS 98 Cb 1.26 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3lbk h LYS 98 CO 0.13 -0.08 0.12 0.82 -2.27 0.00 0.00 179.45 178.17 3lbk h ILE 99 N -0.12 1.25 -0.17 2.00 2.04 -1.40 -0.93 117.51 120.18 3lbk h ILE 99 Ca 0.09 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3lbk h ILE 99 Cb 0.25 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3lbk h ILE 99 CO -0.21 0.35 0.10 1.88 0.00 0.00 0.00 178.15 180.26 3lbk h TYR 100 N 0.85 0.19 -0.62 1.37 0.99 -0.60 0.12 116.97 119.27 3lbk h TYR 100 Ca 0.18 0.01 0.11 0.00 2.00 0.00 0.00 58.73 61.03 3lbk h TYR 100 Cb 0.38 -0.06 -0.08 0.00 1.00 0.00 0.00 36.73 37.96 3lbk h TYR 100 CO 0.03 0.12 0.17 1.15 -0.00 0.00 0.00 178.16 179.63 3lbk h THR 101 N 0.22 0.67 -0.19 -2.88 2.02 0.08 -0.93 112.91 111.91 3lbk h THR 101 Ca 0.07 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 3lbk h THR 101 Cb -0.01 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3lbk h THR 101 CO -0.03 0.06 -0.38 0.24 0.37 0.00 0.00 175.52 175.78 3lbk h MET 102 N 0.32 0.59 -0.43 6.66 2.86 -0.32 -2.37 114.93 122.23 3lbk h MET 102 Ca 0.33 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3lbk h MET 102 Cb 0.47 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 3lbk h MET 102 CO -0.38 1.00 0.15 0.82 1.06 0.00 0.00 176.91 179.57 3lbk h ILE 103 N 0.26 0.86 0.00 -1.22 2.04 -0.63 -2.73 117.51 116.09 3lbk h ILE 103 Ca 0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3lbk h ILE 103 Cb 0.98 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3lbk h ILE 103 CO 0.09 0.06 0.00 1.88 0.00 0.00 0.00 178.15 180.17 3lbk h TYR 104 N 0.32 0.00 0.00 1.37 0.05 -0.81 0.11 116.97 118.01 3lbk h TYR 104 Ca 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.95 3lbk h TYR 104 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3lbk h TYR 104 CO -0.15 0.00 -0.14 0.00 -1.05 0.00 0.00 178.16 176.82 3lbk h ARG 105 N 0.00 0.00 -0.49 4.88 3.08 -1.11 -3.00 114.38 117.74 3lbk h ARG 105 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3lbk h ARG 105 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3lbk h ARG 105 CO 0.00 0.14 0.08 0.09 -1.07 0.00 0.00 179.97 179.20 3lbk n ASN 106 N -3.55 4.53 -4.28 7.04 3.02 0.37 -4.98 115.26 117.40 3lbk n ASN 106 Ca -0.01 -3.13 -0.15 0.00 -0.03 0.00 0.00 54.58 51.25 3lbk n ASN 106 Cb 0.28 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 3lbk n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lbk s LEU 107 N -2.91 2.11 -0.16 3.41 1.43 -1.14 0.32 118.68 121.75 3lbk s LEU 107 Ca 0.50 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 3lbk s LEU 107 Cb 0.40 -0.15 0.06 0.00 0.03 0.00 0.00 46.19 46.53 3lbk s LEU 107 CO 0.11 -0.55 0.12 -0.69 0.23 0.00 0.00 176.35 175.57 3lbk s VAL 108 N -3.56 -0.15 -0.21 -1.59 1.01 0.13 -4.75 120.40 111.28 3lbk s VAL 108 Ca 0.27 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 3lbk s VAL 108 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3lbk s VAL 108 CO 0.07 -0.19 1.86 -0.69 0.00 0.00 0.00 175.10 176.14 3lbk s VAL 109 N 2.19 3.38 -1.43 2.92 1.01 -1.26 -0.84 120.40 126.37 3lbk s VAL 109 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3lbk s VAL 109 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3lbk s VAL 109 CO -0.09 -0.21 0.36 0.55 0.00 0.00 0.00 175.10 175.71