#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lnz s VAL 28 N 0.00 3.21 -0.35 4.08 -7.23 0.55 -4.85 120.40 115.81 3lnz s VAL 28 Ca 0.00 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 3lnz s VAL 28 Cb 0.00 -2.64 0.08 0.00 0.56 0.00 0.00 36.38 34.38 3lnz s VAL 28 CO 0.00 -0.22 0.10 -0.60 -0.31 0.00 0.00 175.10 174.07 3lnz s ARG 29 N -3.16 2.20 0.37 4.82 3.52 -0.69 -0.36 118.95 125.65 3lnz s ARG 29 Ca 0.27 -1.54 -0.28 0.00 -0.13 0.00 0.00 55.73 54.05 3lnz s ARG 29 Cb -0.08 -3.39 -0.11 0.00 -1.56 0.00 0.00 34.95 29.82 3lnz s ARG 29 CO 0.17 -0.85 1.44 -2.14 -0.81 0.00 0.00 175.30 173.11 3lnz s PRO 30 N 1.20 4.12 0.88 5.12 0.02 -1.25 -0.64 135.00 144.45 3lnz s PRO 30 Ca 0.02 2.47 -0.14 0.00 0.02 0.00 0.00 61.00 63.37 3lnz s PRO 30 Cb -0.21 -2.96 0.13 0.00 0.02 0.00 0.00 34.50 31.48 3lnz s PRO 30 CO -0.02 -0.48 1.22 0.15 -0.33 0.00 0.00 177.00 177.53 3lnz s LYS 31 N -2.07 1.35 0.16 5.54 1.02 -0.34 -4.66 119.74 120.75 3lnz s LYS 31 Ca 0.53 -0.05 -0.13 0.00 0.02 0.00 0.00 55.97 56.34 3lnz s LYS 31 Cb -0.44 -1.89 0.05 0.00 -0.52 0.00 0.00 37.83 35.02 3lnz s LYS 31 CO 0.60 -1.99 1.69 -1.35 -0.92 0.00 0.00 175.35 173.38 3lnz h PRO 32 N -1.34 0.82 -0.97 -1.68 0.11 -1.96 -1.59 132.00 125.39 3lnz h PRO 32 Ca -0.46 -0.17 0.04 0.00 0.11 0.00 0.00 66.00 65.53 3lnz h PRO 32 Cb 1.30 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3lnz h PRO 32 CO 0.55 0.74 0.63 -0.07 -0.21 0.00 0.00 178.00 179.65 3lnz h LEU 33 N 0.73 1.03 -0.13 2.35 3.38 -1.96 -0.27 115.31 120.43 3lnz h LEU 33 Ca 0.17 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 3lnz h LEU 33 Cb 0.26 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3lnz h LEU 33 CO -0.01 0.69 -0.74 0.25 0.09 0.00 0.00 178.44 178.72 3lnz h LEU 34 N 1.19 0.89 -0.61 1.67 5.85 -1.77 -1.65 115.31 120.87 3lnz h LEU 34 Ca 0.39 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3lnz h LEU 34 Cb 0.05 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3lnz h LEU 34 CO -0.14 1.38 0.37 0.25 -0.34 0.00 0.00 178.44 179.96 3lnz h LEU 35 N 0.45 0.58 -1.03 2.25 5.85 -1.18 0.99 115.31 123.23 3lnz h LEU 35 Ca -0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3lnz h LEU 35 Cb 1.38 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 3lnz h LEU 35 CO 0.15 0.40 0.54 0.50 -0.34 0.00 0.00 178.44 179.69 3lnz h LYS 36 N 0.71 1.20 0.07 1.25 3.64 -0.94 0.75 116.57 123.25 3lnz h LYS 36 Ca 0.25 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3lnz h LYS 36 Cb 0.05 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3lnz h LYS 36 CO -0.12 0.84 -0.03 1.25 -2.27 0.00 0.00 179.45 179.12 3lnz h LEU 37 N 1.22 -0.08 -0.89 5.20 6.46 -0.58 -2.15 115.31 124.49 3lnz h LEU 37 Ca 0.32 -0.40 0.11 0.00 -0.12 0.00 0.00 57.88 57.79 3lnz h LEU 37 Cb -0.06 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 39.82 3lnz h LEU 37 CO -0.06 0.38 0.52 -0.07 -0.62 0.00 0.00 178.44 178.59 3lnz h LEU 38 N -0.56 0.74 -1.05 2.25 3.38 -0.70 -0.77 115.31 118.60 3lnz h LEU 38 Ca -0.01 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3lnz h LEU 38 Cb 0.48 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3lnz h LEU 38 CO 0.02 0.40 0.25 0.11 0.09 0.00 0.00 178.44 179.31 3lnz h LYS 39 N 0.84 0.93 0.00 1.13 1.57 -0.86 -1.23 116.57 118.95 3lnz h LYS 39 Ca 0.44 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3lnz h LYS 39 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3lnz h LYS 39 CO -0.27 0.76 0.00 0.66 -0.57 0.00 0.00 179.45 180.03 3lnz h SER 40 N 0.91 0.00 -0.12 0.86 4.64 -0.44 -1.62 113.55 117.79 3lnz h SER 40 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3lnz h SER 40 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3lnz h SER 40 CO -0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.27 3lnz n VAL 41 N -2.33 1.44 0.00 0.95 0.24 -1.15 -4.98 118.33 112.49 3lnz n VAL 41 Ca -0.01 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.82 3lnz n VAL 41 Cb 0.08 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 3lnz n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lnz n GLY 42 N -0.51 1.31 3.74 7.63 0.00 -0.61 -5.04 105.19 111.72 3lnz n GLY 42 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3lnz n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lnz s ALA 43 N -2.02 3.54 -0.15 4.61 0.00 -0.48 -4.94 121.76 122.32 3lnz s ALA 43 Ca 0.00 1.17 0.15 0.00 0.00 0.00 0.00 51.96 53.28 3lnz s ALA 43 Cb 0.00 -3.49 0.42 0.00 0.00 0.00 0.00 23.12 20.04 3lnz s ALA 43 CO 0.00 -0.58 1.20 1.04 0.00 0.00 0.00 175.76 177.42 3lnz n GLN 44 N 2.27 1.14 -4.13 0.00 6.02 -1.26 -4.02 117.38 117.39 3lnz n GLN 44 Ca 0.05 -2.92 -0.12 0.00 -0.01 0.00 0.00 57.00 54.00 3lnz n GLN 44 Cb 0.42 -1.17 -0.08 0.00 1.02 0.00 0.00 30.24 30.43 3lnz n GLN 44 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3lnz s LYS 45 N -2.33 1.38 0.11 -1.09 1.02 -1.26 -5.06 119.74 112.51 3lnz s LYS 45 Ca 0.37 -1.53 0.19 0.00 0.02 0.00 0.00 55.97 55.01 3lnz s LYS 45 Cb 0.37 0.35 -0.09 0.00 -0.52 0.00 0.00 37.83 37.94 3lnz s LYS 45 CO -0.09 -0.51 0.88 -0.25 -0.92 0.00 0.00 175.35 174.46 3lnz n ASP 46 N -0.42 0.82 -4.11 2.83 8.00 -1.26 -4.95 116.55 117.45 3lnz n ASP 46 Ca 0.01 0.34 -0.18 0.00 0.71 0.00 0.00 54.79 55.67 3lnz n ASP 46 Cb 0.64 0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 41.95 3lnz n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3lnz s THR 47 N -3.10 0.94 0.05 -3.53 -4.23 -1.26 -3.84 115.64 100.67 3lnz s THR 47 Ca -0.02 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 3lnz s THR 47 Cb 0.09 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 3lnz s THR 47 CO 0.81 -0.05 0.08 -0.31 -0.54 0.00 0.00 174.62 174.61 3lnz s TYR 48 N -0.86 0.28 0.85 3.99 2.02 0.51 -4.89 117.35 119.24 3lnz s TYR 48 Ca -0.00 -0.67 -0.11 0.00 -0.37 0.00 0.00 57.07 55.92 3lnz s TYR 48 Cb -0.08 -0.19 0.11 0.00 -0.40 0.00 0.00 41.96 41.40 3lnz s TYR 48 CO 0.01 -0.40 1.15 0.95 -1.57 0.00 0.00 175.55 175.69 3lnz s THR 49 N -3.16 2.38 0.26 -0.71 -4.23 -1.26 0.20 115.64 109.12 3lnz s THR 49 Ca -0.00 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 3lnz s THR 49 Cb 0.02 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.75 3lnz s THR 49 CO -0.07 -0.15 1.87 -0.03 -0.54 0.00 0.00 174.62 175.70 3lnz h MET 50 N -1.41 1.09 -0.46 3.99 4.05 -1.97 -1.56 114.93 118.66 3lnz h MET 50 Ca -0.44 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 58.84 3lnz h MET 50 Cb 1.27 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.80 3lnz h MET 50 CO 0.45 0.72 -0.01 1.57 0.23 0.00 0.00 176.91 179.87 3lnz h LYS 51 N 1.12 0.75 -0.54 0.39 2.10 -1.99 0.26 116.57 118.67 3lnz h LYS 51 Ca 0.41 -0.20 -0.10 0.00 -2.00 0.00 0.00 60.65 58.76 3lnz h LYS 51 Cb 0.15 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 3lnz h LYS 51 CO -0.17 0.77 -0.07 0.93 -2.00 0.00 0.00 179.45 178.91 3lnz h GLU 52 N 0.70 1.00 -0.30 0.07 5.08 -1.88 -0.93 114.58 118.31 3lnz h GLU 52 Ca 0.14 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3lnz h GLU 52 Cb 0.44 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3lnz h GLU 52 CO 0.02 1.03 0.17 0.28 -1.00 0.00 0.00 179.01 179.51 3lnz h VAL 53 N 0.87 1.13 -0.74 3.13 2.07 -0.76 -1.92 116.25 120.03 3lnz h VAL 53 Ca 0.14 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3lnz h VAL 53 Cb 0.63 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3lnz h VAL 53 CO 0.04 0.13 0.32 -0.07 0.02 0.00 0.00 177.57 178.01 3lnz h LEU 54 N 0.37 0.98 -0.06 2.57 3.38 -0.87 -1.91 115.31 119.78 3lnz h LEU 54 Ca 0.11 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3lnz h LEU 54 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3lnz h LEU 54 CO -0.02 0.85 -0.28 -0.26 0.09 0.00 0.00 178.44 178.82 3lnz h PHE 55 N 1.06 -0.77 -0.11 1.13 0.04 -0.88 -1.50 116.94 115.91 3lnz h PHE 55 Ca 0.25 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.89 3lnz h PHE 55 Cb 0.16 0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3lnz h PHE 55 CO 0.01 -0.37 -0.61 1.88 -0.60 0.00 0.00 178.31 178.63 3lnz h TYR 56 N -0.40 0.46 -0.24 -0.55 0.05 -1.25 -1.30 116.97 113.75 3lnz h TYR 56 Ca 0.08 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 3lnz h TYR 56 Cb 0.51 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3lnz h TYR 56 CO -0.34 0.88 -0.07 1.25 -1.05 0.00 0.00 178.16 178.82 3lnz h LEU 57 N 0.27 0.47 -0.58 3.88 5.85 -1.29 0.29 115.31 124.20 3lnz h LEU 57 Ca -0.01 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.41 3lnz h LEU 57 Cb 1.13 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 3lnz h LEU 57 CO 0.10 0.74 0.25 1.23 -0.34 0.00 0.00 178.44 180.43 3lnz h GLY 58 N 0.20 0.81 0.86 3.75 0.00 -1.26 0.17 103.07 107.60 3lnz h GLY 58 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.27 3lnz h GLY 58 CO 0.03 0.04 0.39 -1.61 0.00 0.00 0.00 176.54 175.39 3lnz h GLN 59 N 0.46 0.74 -0.11 4.80 4.15 -1.03 -0.34 115.11 123.77 3lnz h GLN 59 Ca 0.28 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 3lnz h GLN 59 Cb 0.28 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3lnz h GLN 59 CO -0.24 0.49 0.06 -0.92 -1.93 0.00 0.00 178.83 176.28 3lnz h TYR 60 N 0.76 0.16 -0.88 3.99 3.20 0.34 0.14 116.97 124.69 3lnz h TYR 60 Ca 0.26 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.24 3lnz h TYR 60 Cb 0.03 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 3lnz h TYR 60 CO -0.05 0.21 0.50 0.82 -1.64 0.00 0.00 178.16 178.00 3lnz h ILE 61 N 0.06 0.86 -0.18 1.81 2.04 -0.05 -2.26 117.51 119.79 3lnz h ILE 61 Ca 0.04 -0.27 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 3lnz h ILE 61 Cb 0.11 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3lnz h ILE 61 CO -0.01 0.14 -0.62 0.24 0.00 0.00 0.00 178.15 177.90 3lnz h MET 62 N 0.79 0.74 -0.63 2.37 2.86 -0.77 -1.77 114.93 118.52 3lnz h MET 62 Ca 0.44 -0.56 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3lnz h MET 62 Cb 0.49 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3lnz h MET 62 CO -0.29 1.17 0.28 1.15 1.06 0.00 0.00 176.91 180.29 3lnz h THR 63 N 0.45 1.21 -0.02 2.22 2.02 -0.24 -1.65 112.91 116.91 3lnz h THR 63 Ca -0.03 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3lnz h THR 63 Cb 1.25 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3lnz h THR 63 CO 0.13 0.26 -0.04 0.29 0.37 0.00 0.00 175.52 176.53 3lnz n LYS 64 N -4.33 1.68 -3.81 6.66 5.02 -0.90 -4.97 118.16 117.51 3lnz n LYS 64 Ca 0.06 -1.09 -0.28 0.00 -2.02 0.00 0.00 58.31 54.98 3lnz n LYS 64 Cb 0.15 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3lnz n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3lnz n ARG 65 N 0.29 -6.16 0.13 1.97 0.63 -0.62 -4.89 116.66 108.01 3lnz n ARG 65 Ca 0.17 0.67 0.13 0.00 -0.92 0.00 0.00 57.85 57.89 3lnz n ARG 65 Cb 0.40 -5.58 0.42 0.00 0.45 0.00 0.00 32.46 28.16 3lnz n ARG 65 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3lnz h LEU 66 N -2.24 0.00-10.13 6.15 3.38 -1.71 -3.46 115.31 107.30 3lnz h LEU 66 Ca -0.58 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 56.90 3lnz h LEU 66 Cb 1.37 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.19 3lnz h LEU 66 CO 0.63 0.00 0.40 -0.72 0.09 0.00 0.00 178.44 178.84 3lnz s TYR 67 N -3.20 2.81 0.21 1.13 -0.85 -1.26 -0.62 117.35 115.57 3lnz s TYR 67 Ca 0.08 1.54 -0.30 0.00 -0.52 0.00 0.00 57.07 57.88 3lnz s TYR 67 Cb 0.11 -3.14 -0.08 0.00 0.38 0.00 0.00 41.96 39.22 3lnz s TYR 67 CO 0.54 -1.32 1.18 0.34 -1.52 0.00 0.00 175.55 174.77 3lnz s ASP 68 N -2.25 7.11 0.36 -0.18 2.15 0.17 -4.89 116.67 119.15 3lnz s ASP 68 Ca 0.68 2.25 0.12 0.00 0.43 0.00 0.00 52.55 56.03 3lnz s ASP 68 Cb -0.19 -2.61 0.67 0.00 -0.30 0.00 0.00 42.92 40.48 3lnz s ASP 68 CO 0.31 -0.33 1.80 -0.08 -0.17 0.00 0.00 175.17 176.70 3lnz h GLU 69 N 4.88 0.02 0.00 4.34 4.57 -1.95 -3.26 114.58 123.18 3lnz h GLU 69 Ca -0.45 -0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 57.46 3lnz h GLU 69 Cb 1.21 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.75 3lnz h GLU 69 CO 0.73 0.41 -2.01 1.63 -1.18 0.00 0.00 179.01 178.59 3lnz n LYS 70 N -4.07 0.78 -3.88 1.92 4.76 -1.26 -4.75 118.16 111.66 3lnz n LYS 70 Ca -0.02 0.07 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 3lnz n LYS 70 Cb 0.43 -1.36 -0.13 0.00 -1.84 0.00 0.00 35.03 32.13 3lnz n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3lnz s GLN 71 N -2.35 2.03 0.00 1.97 -0.21 -1.26 -5.01 119.66 114.83 3lnz s GLN 71 Ca -0.20 -2.36 0.27 0.00 0.02 0.00 0.00 55.36 53.09 3lnz s GLN 71 Cb 0.06 -3.43 1.22 0.00 1.00 0.00 0.00 33.01 31.85 3lnz s GLN 71 CO 0.46 -1.09 1.89 1.04 -2.12 0.00 0.00 175.29 175.47 3lnz n GLN 72 N 3.60 0.09 0.03 2.91 6.02 -1.23 -1.61 117.38 127.19 3lnz n GLN 72 Ca 0.05 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.20 3lnz n GLN 72 Cb 0.37 -1.50 0.53 0.00 1.02 0.00 0.00 30.24 30.66 3lnz n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3lnz n HIS 73 N -1.45 0.28 -2.90 1.08 1.44 -1.26 -4.54 115.22 107.86 3lnz n HIS 73 Ca 0.08 0.08 -0.41 0.00 -2.01 0.00 0.00 57.72 55.47 3lnz n HIS 73 Cb 0.30 -0.64 -0.04 0.00 0.12 0.00 0.00 29.99 29.73 3lnz n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3lnz s ILE 74 N -3.04 4.95 -0.06 0.61 1.01 -0.64 -0.94 121.20 123.09 3lnz s ILE 74 Ca 0.12 1.71 0.04 0.00 0.00 0.00 0.00 60.65 62.52 3lnz s ILE 74 Cb 0.16 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3lnz s ILE 74 CO 0.52 0.23 -0.17 -0.69 0.00 0.00 0.00 174.94 174.82 3lnz s VAL 75 N 0.81 1.51 -0.18 2.92 1.01 -0.83 0.43 120.40 126.06 3lnz s VAL 75 Ca 0.43 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3lnz s VAL 75 Cb -0.19 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3lnz s VAL 75 CO 0.23 0.44 0.19 -0.31 0.00 0.00 0.00 175.10 175.64 3lnz s TYR 76 N 0.30 3.43 -0.66 5.22 2.02 0.21 -2.28 117.35 125.60 3lnz s TYR 76 Ca -0.11 0.44 0.09 0.00 -0.37 0.00 0.00 57.07 57.11 3lnz s TYR 76 Cb -0.14 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 3lnz s TYR 76 CO 0.04 0.28 0.51 0.00 -1.57 0.00 0.00 175.55 174.81 3lnz n SER 78 N -0.59 3.95 -1.91 0.00 7.64 -1.12 -2.40 113.62 119.20 3lnz n SER 78 Ca 0.03 1.12 -0.16 0.00 1.01 0.00 0.00 58.87 60.87 3lnz n SER 78 Cb 0.16 -1.60 -0.04 0.00 -1.01 0.00 0.00 64.21 61.73 3lnz n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3lnz n ASN 79 N 2.69 -4.55 -4.41 6.43 3.02 -1.26 -4.96 115.26 112.22 3lnz n ASN 79 Ca 0.11 0.26 -0.26 0.00 -0.03 0.00 0.00 54.58 54.66 3lnz n ASN 79 Cb 0.36 -3.98 -0.11 0.00 -0.61 0.00 0.00 39.78 35.44 3lnz n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3lnz s ASP 80 N -2.22 3.33 0.38 6.41 2.15 -1.04 -5.06 116.67 120.62 3lnz s ASP 80 Ca 0.00 -0.89 0.12 0.00 0.43 0.00 0.00 52.55 52.21 3lnz s ASP 80 Cb 0.00 -0.24 0.91 0.00 -0.30 0.00 0.00 42.92 43.29 3lnz s ASP 80 CO 0.00 0.09 1.87 0.25 -0.17 0.00 0.00 175.17 177.20 3lnz h LEU 81 N 3.10 0.56 -0.69 -1.34 5.85 -1.93 -2.17 115.31 118.70 3lnz h LEU 81 Ca -0.45 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 3lnz h LEU 81 Cb 1.21 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3lnz h LEU 81 CO 0.50 0.27 0.17 0.25 -0.34 0.00 0.00 178.44 179.29 3lnz h LEU 82 N 0.59 1.04 -0.91 2.25 5.85 -1.96 0.12 115.31 122.28 3lnz h LEU 82 Ca 0.45 -0.23 0.23 0.00 0.84 0.00 0.00 57.88 59.16 3lnz h LEU 82 Cb 0.85 -0.27 -0.17 0.00 0.37 0.00 0.00 40.66 41.44 3lnz h LEU 82 CO -0.19 1.00 -0.00 1.23 -0.34 0.00 0.00 178.44 180.14 3lnz h GLY 83 N 1.03 1.06 1.53 3.75 0.00 -1.03 0.23 103.07 109.63 3lnz h GLY 83 Ca 0.22 0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.57 3lnz h GLY 83 CO 0.00 -0.42 -0.41 -0.55 0.00 0.00 0.00 176.54 175.16 3lnz h ASP 84 N 0.05 0.55 0.04 0.19 3.32 -0.51 0.61 116.42 120.68 3lnz h ASP 84 Ca 0.52 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3lnz h ASP 84 Cb 1.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3lnz h ASP 84 CO -0.84 0.90 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.49 3lnz h LEU 85 N 0.43 -0.05 0.00 1.55 3.38 -0.82 -3.31 115.31 116.49 3lnz h LEU 85 Ca 0.04 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 3lnz h LEU 85 Cb 0.90 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3lnz h LEU 85 CO 0.08 0.58 -0.27 -0.26 0.09 0.00 0.00 178.44 178.66 3lnz h PHE 86 N -0.71 0.00 -1.51 1.13 0.05 -0.58 -3.48 116.94 111.83 3lnz h PHE 86 Ca -0.01 0.00 -0.31 0.00 3.82 0.00 0.00 57.97 61.48 3lnz h PHE 86 Cb 0.62 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 38.50 3lnz h PHE 86 CO 0.14 0.26 -0.34 0.41 -0.18 0.00 0.00 178.31 178.60 3lnz n GLY 87 N 1.17 0.57 3.15 -1.45 0.00 0.21 -5.03 105.19 103.80 3lnz n GLY 87 Ca 0.03 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 3lnz n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lnz s VAL 88 N -2.67 1.04 0.32 1.61 -7.23 -1.25 -5.06 120.40 107.15 3lnz s VAL 88 Ca 0.00 -1.18 0.19 0.00 -1.81 0.00 0.00 61.98 59.18 3lnz s VAL 88 Cb 0.00 -0.99 0.17 0.00 0.56 0.00 0.00 36.38 36.12 3lnz s VAL 88 CO 0.00 -0.18 1.87 1.55 -0.31 0.00 0.00 175.10 178.03 3lnz h PRO 89 N 4.51 0.00 -2.54 4.82 0.13 -1.91 -3.42 132.00 133.59 3lnz h PRO 89 Ca -0.39 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.86 3lnz h PRO 89 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 3lnz h PRO 89 CO 0.41 0.29 0.40 -1.54 -0.23 0.00 0.00 178.00 177.34 3lnz s SER 90 N -6.54 -0.28 0.12 1.44 1.04 -1.26 -1.21 113.70 107.01 3lnz s SER 90 Ca -0.02 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 3lnz s SER 90 Cb 0.13 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.82 3lnz s SER 90 CO 0.67 -0.95 0.41 0.72 0.98 0.00 0.00 173.24 175.07 3lnz s PHE 91 N -3.44 -0.23 -0.17 5.02 -0.12 -0.97 -4.97 117.98 113.10 3lnz s PHE 91 Ca 0.09 -0.04 -0.06 0.00 -0.05 0.00 0.00 56.93 56.87 3lnz s PHE 91 Cb -0.02 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3lnz s PHE 91 CO -0.01 -0.69 0.04 0.45 -0.05 0.00 0.00 175.22 174.96 3lnz s SER 92 N -2.69 5.48 0.53 1.98 0.15 -1.26 -1.96 113.70 115.92 3lnz s SER 92 Ca 0.02 0.06 0.22 0.00 0.70 0.00 0.00 55.95 56.94 3lnz s SER 92 Cb 0.01 -1.91 1.38 0.00 -1.71 0.00 0.00 66.02 63.80 3lnz s SER 92 CO -0.11 0.19 2.08 0.58 1.20 0.00 0.00 173.24 177.19 3lnz h VAL 93 N 4.86 0.82 0.00 4.45 2.07 -1.43 -1.53 116.25 125.49 3lnz h VAL 93 Ca -0.37 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3lnz h VAL 93 Cb 1.17 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3lnz h VAL 93 CO 0.68 0.00 -0.02 0.11 0.02 0.00 0.00 177.57 178.36 3lnz h LYS 94 N 0.00 0.00 -4.59 1.57 1.57 -1.94 -3.35 116.57 109.83 3lnz h LYS 94 Ca 0.12 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.19 3lnz h LYS 94 Cb 0.48 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 3lnz h LYS 94 CO -0.00 0.02 2.56 0.39 -0.57 0.00 0.00 179.45 181.85 3lnz n GLU 95 N -3.39 3.10 -0.04 3.15 1.02 -0.58 -4.83 120.64 119.08 3lnz n GLU 95 Ca -0.02 -3.04 -0.13 0.00 -0.02 0.00 0.00 57.16 53.95 3lnz n GLU 95 Cb 0.13 -3.29 -0.08 0.00 -0.02 0.00 0.00 31.44 28.18 3lnz n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3lnz h HIS 96 N 6.56 0.30 -0.39 -0.32 3.86 -1.85 -0.62 115.15 122.67 3lnz h HIS 96 Ca 0.49 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.66 3lnz h HIS 96 Cb 0.73 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 3lnz h HIS 96 CO 1.39 0.64 0.15 -0.09 0.86 0.00 0.00 177.93 180.89 3lnz h ARG 97 N -0.13 0.32 -0.81 2.45 2.43 -1.94 -1.91 114.38 114.78 3lnz h ARG 97 Ca 0.02 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3lnz h ARG 97 Cb 0.58 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.98 3lnz h ARG 97 CO 0.02 0.21 0.44 -0.22 -1.51 0.00 0.00 179.97 178.92 3lnz h LYS 98 N 0.33 0.70 -0.18 0.20 3.64 -1.79 -0.34 116.57 119.13 3lnz h LYS 98 Ca 0.18 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3lnz h LYS 98 Cb 0.14 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3lnz h LYS 98 CO -0.16 0.46 -0.03 0.82 -2.27 0.00 0.00 179.45 178.27 3lnz h ILE 99 N 0.72 1.28 -0.40 2.00 2.04 -0.78 -2.32 117.51 120.05 3lnz h ILE 99 Ca 0.40 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3lnz h ILE 99 Cb 0.43 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3lnz h ILE 99 CO -0.28 0.29 0.07 1.88 0.00 0.00 0.00 178.15 180.12 3lnz h TYR 100 N 0.06 0.62 -0.43 1.37 -1.99 -0.83 -1.17 116.97 114.59 3lnz h TYR 100 Ca 0.05 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3lnz h TYR 100 Cb 0.45 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 3lnz h TYR 100 CO 0.05 0.55 0.22 1.15 -0.00 0.00 0.00 178.16 180.13 3lnz h THR 101 N 0.59 1.17 -0.34 -2.88 2.02 -0.90 0.28 112.91 112.84 3lnz h THR 101 Ca 0.13 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 3lnz h THR 101 Cb 0.26 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3lnz h THR 101 CO 0.00 0.18 -0.20 0.24 0.37 0.00 0.00 175.52 176.12 3lnz h MET 102 N 0.56 0.64 -0.23 6.66 2.86 -1.09 -1.71 114.93 122.62 3lnz h MET 102 Ca 0.15 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3lnz h MET 102 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3lnz h MET 102 CO -0.02 0.80 0.07 0.82 1.06 0.00 0.00 176.91 179.64 3lnz h ILE 103 N 0.57 1.19 0.00 -1.22 2.04 -0.90 -2.93 117.51 116.26 3lnz h ILE 103 Ca 0.09 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3lnz h ILE 103 Cb 0.65 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3lnz h ILE 103 CO 0.05 0.20 -0.19 1.88 0.00 0.00 0.00 178.15 180.08 3lnz h TYR 104 N 0.21 0.00 0.00 1.37 -1.99 -0.33 -0.29 116.97 115.95 3lnz h TYR 104 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3lnz h TYR 104 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 3lnz h TYR 104 CO 0.00 0.19 0.00 -0.09 -0.00 0.00 0.00 178.16 178.26 3lnz h ARG 105 N 0.00 0.00 -0.50 4.88 2.43 -1.12 -2.29 114.38 117.78 3lnz h ARG 105 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3lnz h ARG 105 Cb 0.43 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 3lnz h ARG 105 CO 0.02 0.00 0.09 0.09 -1.51 0.00 0.00 179.97 178.67 3lnz n ASN 106 N -2.66 4.37 -3.88 -3.80 3.02 -0.12 -4.95 115.26 107.23 3lnz n ASN 106 Ca 0.02 -3.18 -0.11 0.00 -0.03 0.00 0.00 54.58 51.27 3lnz n ASN 106 Cb 0.29 -0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 38.68 3lnz n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lnz s LEU 107 N -2.94 1.85 -0.23 3.41 1.43 -0.86 -1.20 118.68 120.14 3lnz s LEU 107 Ca 0.49 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 3lnz s LEU 107 Cb 0.40 0.23 -0.04 0.00 0.03 0.00 0.00 46.19 46.81 3lnz s LEU 107 CO 0.11 -0.11 0.11 -0.69 0.23 0.00 0.00 176.35 175.99 3lnz s VAL 108 N -0.41 4.87 -1.44 -1.59 1.01 0.18 -4.92 120.40 118.10 3lnz s VAL 108 Ca -0.05 0.01 0.12 0.00 0.00 0.00 0.00 61.98 62.06 3lnz s VAL 108 Cb -0.03 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.19 3lnz s VAL 108 CO 0.00 0.37 0.86 0.52 0.00 0.00 0.00 175.10 176.86