#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ycr s THR 26 N 0.00 4.66 -0.29 2.62 -4.23 -1.26 -5.01 115.64 112.13 1ycr s THR 26 Ca 0.00 -0.56 -0.23 0.00 -1.18 0.00 0.00 61.69 59.72 1ycr s THR 26 Cb 0.00 -4.49 -0.00 0.00 1.34 0.00 0.00 72.50 69.34 1ycr s THR 26 CO 0.00 -1.13 0.78 -0.76 -0.54 0.00 0.00 174.62 172.97 1ycr s LEU 27 N 3.17 4.09 0.27 4.79 2.01 -1.26 -2.13 118.68 129.62 1ycr s LEU 27 Ca 0.17 0.71 0.11 0.00 0.01 0.00 0.00 54.13 55.14 1ycr s LEU 27 Cb -0.20 -3.06 -0.05 0.00 0.01 0.00 0.00 46.19 42.89 1ycr s LEU 27 CO 0.10 -0.58 -0.15 0.68 1.01 0.00 0.00 176.35 177.42 1ycr s VAL 28 N 2.89 2.75 -0.20 -1.59 -7.23 0.21 -4.78 120.40 112.45 1ycr s VAL 28 Ca 0.32 -2.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1ycr s VAL 28 Cb -0.14 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.38 1ycr s VAL 28 CO 0.11 -0.39 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.77 1ycr s ARG 29 N -3.54 2.51 0.29 4.82 3.52 -0.46 -0.55 118.95 125.54 1ycr s ARG 29 Ca 0.30 -0.95 -0.29 0.00 -0.13 0.00 0.00 55.73 54.66 1ycr s ARG 29 Cb -0.05 -2.58 -0.10 0.00 -1.56 0.00 0.00 34.95 30.66 1ycr s ARG 29 CO 0.16 -0.36 1.17 -1.25 -0.81 0.00 0.00 175.30 174.22 1ycr s PRO 30 N 1.28 4.54 0.78 5.12 0.04 -1.26 -2.01 135.00 143.49 1ycr s PRO 30 Ca -0.00 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1ycr s PRO 30 Cb -0.16 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.30 1ycr s PRO 30 CO -0.10 0.07 1.11 0.15 0.04 0.00 0.00 177.00 178.27 1ycr s LYS 31 N -1.47 2.09 0.14 4.56 1.02 0.31 -4.52 119.74 121.87 1ycr s LYS 31 Ca 0.46 1.28 -0.23 0.00 0.02 0.00 0.00 55.97 57.51 1ycr s LYS 31 Cb -0.34 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1ycr s LYS 31 CO 0.44 -1.79 1.24 -2.30 -0.92 0.00 0.00 175.35 172.03 1ycr n PRO 32 N -3.51 -0.32 -0.12 -1.68 -0.02 -1.26 -0.17 135.00 127.92 1ycr n PRO 32 Ca 0.10 1.22 -0.08 0.00 -2.02 0.00 0.00 63.50 62.72 1ycr n PRO 32 Cb 0.53 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1ycr n PRO 32 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ycr h LEU 33 N 0.00 0.42 -1.01 2.45 4.07 -1.96 -2.12 115.31 117.16 1ycr h LEU 33 Ca 0.16 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.02 1ycr h LEU 33 Cb 0.36 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1ycr h LEU 33 CO -0.76 0.30 -0.24 0.25 -1.08 0.00 0.00 178.44 176.91 1ycr h LEU 34 N 0.50 0.42 -0.69 1.67 5.85 -1.51 -1.76 115.31 119.79 1ycr h LEU 34 Ca 0.14 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1ycr h LEU 34 Cb -0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1ycr h LEU 34 CO -0.04 0.67 -0.22 0.25 -0.34 0.00 0.00 178.44 178.75 1ycr h LEU 35 N 0.38 0.78 -0.27 2.25 7.12 -0.31 -0.79 115.31 124.48 1ycr h LEU 35 Ca 0.06 -0.28 -0.03 0.00 0.13 0.00 0.00 57.88 57.76 1ycr h LEU 35 Cb 0.63 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1ycr h LEU 35 CO 0.05 0.98 0.07 0.50 -0.13 0.00 0.00 178.44 179.91 1ycr h LYS 36 N 0.67 0.42 -0.72 1.25 3.64 -1.05 0.46 116.57 121.26 1ycr h LYS 36 Ca 0.09 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1ycr h LYS 36 Cb 0.73 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1ycr h LYS 36 CO 0.06 0.51 0.42 1.25 -2.27 0.00 0.00 179.45 179.42 1ycr h LEU 37 N 0.26 0.64 0.21 5.20 7.12 -1.15 -1.29 115.31 126.30 1ycr h LEU 37 Ca 0.08 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 1ycr h LEU 37 Cb 0.28 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1ycr h LEU 37 CO 0.00 0.42 -0.10 -0.07 -0.13 0.00 0.00 178.44 178.56 1ycr h LEU 38 N 0.78 -0.24 -0.89 2.25 4.07 -0.74 -2.90 115.31 117.64 1ycr h LEU 38 Ca 0.31 -0.14 0.11 0.00 0.08 0.00 0.00 57.88 58.25 1ycr h LEU 38 Cb 0.16 0.06 -0.08 0.00 1.08 0.00 0.00 40.66 41.88 1ycr h LEU 38 CO -0.17 0.00 0.52 0.11 -1.08 0.00 0.00 178.44 177.83 1ycr h LYS 39 N -0.48 0.81 -1.13 1.13 1.79 -0.76 0.48 116.57 118.41 1ycr h LYS 39 Ca -0.03 -0.05 0.33 0.00 -2.18 0.00 0.00 60.65 58.72 1ycr h LYS 39 Cb 0.36 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1ycr h LYS 39 CO 0.05 0.53 0.87 0.66 -1.08 0.00 0.00 179.45 180.48 1ycr h SER 40 N 0.83 0.00 -0.38 0.86 4.64 -1.02 0.45 113.55 118.93 1ycr h SER 40 Ca 0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.73 1ycr h SER 40 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1ycr h SER 40 CO -0.28 0.00 0.02 1.33 -0.87 0.00 0.00 176.83 177.04 1ycr n VAL 41 N -4.03 2.48 0.00 0.95 0.24 0.14 -4.95 118.33 113.16 1ycr n VAL 41 Ca 0.24 -1.82 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 1ycr n VAL 41 Cb 1.24 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1ycr n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ycr n GLY 42 N -0.28 2.24 3.56 7.63 0.00 0.16 -5.01 105.19 113.48 1ycr n GLY 42 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1ycr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ycr s ALA 43 N -2.51 1.65 -0.68 4.61 0.00 -1.12 -4.87 121.76 118.84 1ycr s ALA 43 Ca 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 1ycr s ALA 43 Cb 0.00 -4.54 -0.08 0.00 0.00 0.00 0.00 23.12 18.50 1ycr s ALA 43 CO 0.00 -4.80 3.06 1.04 0.00 0.00 0.00 175.76 175.05 1ycr n GLN 44 N 8.88 2.89 -3.96 0.00 6.02 -1.26 -3.65 117.38 126.31 1ycr n GLN 44 Ca 0.39 -2.02 -0.09 0.00 -0.01 0.00 0.00 57.00 55.27 1ycr n GLN 44 Cb 0.47 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.39 1ycr n GLN 44 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1ycr s LYS 45 N 0.15 1.74 -0.02 -1.09 -2.85 -1.26 -5.06 119.74 111.35 1ycr s LYS 45 Ca 0.63 -1.29 0.19 0.00 -1.00 0.00 0.00 55.97 54.51 1ycr s LYS 45 Cb 0.29 0.52 -0.27 0.00 -2.06 0.00 0.00 37.83 36.31 1ycr s LYS 45 CO -0.09 -0.75 0.59 -3.47 0.10 0.00 0.00 175.35 171.72 1ycr n ASP 46 N -0.67 0.66 -4.07 0.03 2.03 -1.26 -4.95 116.55 108.32 1ycr n ASP 46 Ca -0.03 -0.38 -0.24 0.00 0.52 0.00 0.00 54.79 54.66 1ycr n ASP 46 Cb 0.61 1.54 -0.16 0.00 -0.72 0.00 0.00 41.12 42.39 1ycr n ASP 46 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ycr s THR 47 N -3.14 1.15 0.06 5.18 2.01 -1.26 -4.15 115.64 115.48 1ycr s THR 47 Ca -0.01 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1ycr s THR 47 Cb 0.13 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1ycr s THR 47 CO 0.81 0.34 0.05 -0.31 -0.69 0.00 0.00 174.62 174.82 1ycr s TYR 48 N 0.17 0.38 0.54 4.92 1.51 0.29 -4.97 117.35 120.19 1ycr s TYR 48 Ca -0.05 -0.88 -0.05 0.00 -1.01 0.00 0.00 57.07 55.09 1ycr s TYR 48 Cb -0.11 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.47 1ycr s TYR 48 CO 0.02 -0.43 0.83 0.95 -1.11 0.00 0.00 175.55 175.81 1ycr s THR 49 N -3.80 4.07 0.36 -0.71 -4.23 -1.26 0.67 115.64 110.73 1ycr s THR 49 Ca 0.05 -0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.62 1ycr s THR 49 Cb 0.06 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.63 1ycr s THR 49 CO -0.10 -0.56 1.94 0.24 -0.54 0.00 0.00 174.62 175.60 1ycr h MET 50 N 0.02 0.74 -0.75 3.99 2.86 -1.82 -2.85 114.93 117.12 1ycr h MET 50 Ca -0.46 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1ycr h MET 50 Cb 1.24 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 1ycr h MET 50 CO 0.60 0.49 0.48 0.87 1.06 0.00 0.00 176.91 180.41 1ycr h LYS 51 N 0.76 1.00 -0.54 1.72 1.57 -1.93 -2.30 116.57 116.86 1ycr h LYS 51 Ca 0.35 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1ycr h LYS 51 Cb 0.36 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ycr h LYS 51 CO -0.13 0.69 0.17 0.93 -0.57 0.00 0.00 179.45 180.54 1ycr h GLU 52 N 1.02 0.83 0.41 3.15 5.08 -1.89 -1.03 114.58 122.15 1ycr h GLU 52 Ca 0.27 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ycr h GLU 52 Cb -0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1ycr h GLU 52 CO -0.06 0.76 -0.45 0.28 -1.00 0.00 0.00 179.01 178.55 1ycr h VAL 53 N 0.74 0.12 -0.89 3.13 2.07 -1.41 -1.64 116.25 118.38 1ycr h VAL 53 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 1ycr h VAL 53 Cb 0.27 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1ycr h VAL 53 CO -0.01 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.09 1ycr h LEU 54 N -0.87 0.87 0.53 2.57 3.38 -1.33 0.73 115.31 121.19 1ycr h LEU 54 Ca -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ycr h LEU 54 Cb 0.78 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1ycr h LEU 54 CO -0.09 0.55 -0.25 0.15 0.09 0.00 0.00 178.44 178.89 1ycr h PHE 55 N 0.98 -0.66 -0.43 1.13 3.57 -0.78 -0.08 116.94 120.67 1ycr h PHE 55 Ca 0.39 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 1ycr h PHE 55 Cb 0.23 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1ycr h PHE 55 CO -0.00 -0.40 -0.06 1.88 -2.23 0.00 0.00 178.31 177.51 1ycr h TYR 56 N -0.74 0.88 -0.35 0.41 0.05 -1.02 -1.18 116.97 115.02 1ycr h TYR 56 Ca -0.07 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.56 1ycr h TYR 56 Cb 0.56 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1ycr h TYR 56 CO -0.03 0.89 0.23 1.25 -1.05 0.00 0.00 178.16 179.44 1ycr h LEU 57 N 0.63 0.32 -0.11 3.88 5.85 -0.82 0.10 115.31 125.15 1ycr h LEU 57 Ca 0.11 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 1ycr h LEU 57 Cb 0.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ycr h LEU 57 CO 0.03 0.22 -1.00 1.23 -0.34 0.00 0.00 178.44 178.59 1ycr h GLY 58 N 0.37 0.19 1.52 3.75 0.00 -0.71 -3.01 103.07 105.18 1ycr h GLY 58 Ca 0.14 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1ycr h GLY 58 CO -0.03 0.35 -0.24 1.46 0.00 0.00 0.00 176.54 178.07 1ycr h GLN 59 N 0.07 0.55 -0.00 4.80 1.08 0.21 -1.06 115.11 120.76 1ycr h GLN 59 Ca -0.06 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1ycr h GLN 59 Cb 1.69 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.08 1ycr h GLN 59 CO 0.15 0.75 0.00 -0.92 -0.95 0.00 0.00 178.83 177.86 1ycr h TYR 60 N 0.49 0.01 0.33 2.96 3.20 -0.89 -0.69 116.97 122.38 1ycr h TYR 60 Ca 0.07 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1ycr h TYR 60 Cb 0.68 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1ycr h TYR 60 CO 0.03 0.27 -0.16 0.82 -1.64 0.00 0.00 178.16 177.48 1ycr h ILE 61 N -0.26 0.68 -0.06 1.81 2.04 -1.42 -0.84 117.51 119.46 1ycr h ILE 61 Ca 0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1ycr h ILE 61 Cb 0.27 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1ycr h ILE 61 CO 0.00 0.01 -0.06 0.24 0.00 0.00 0.00 178.15 178.34 1ycr h MET 62 N -0.47 -0.08 -0.68 2.37 2.86 -1.23 -2.18 114.93 115.51 1ycr h MET 62 Ca -0.05 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1ycr h MET 62 Cb 0.36 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 1ycr h MET 62 CO 0.07 -0.06 0.37 1.15 1.06 0.00 0.00 176.91 179.51 1ycr h THR 63 N -0.09 0.95 -0.56 2.22 2.02 -0.97 -1.61 112.91 114.87 1ycr h THR 63 Ca 0.05 -0.23 -0.23 0.00 0.77 0.00 0.00 66.41 66.76 1ycr h THR 63 Cb 0.15 0.21 -0.14 0.00 -1.74 0.00 0.00 68.15 66.63 1ycr h THR 63 CO -0.11 0.12 0.29 0.29 0.37 0.00 0.00 175.52 176.49 1ycr n LYS 64 N -4.79 2.35 -2.99 6.66 5.02 -0.33 -4.92 118.16 119.15 1ycr n LYS 64 Ca 0.09 -1.99 -0.15 0.00 -2.02 0.00 0.00 58.31 54.25 1ycr n LYS 64 Cb 0.19 -1.84 -0.04 0.00 -0.02 0.00 0.00 35.03 33.33 1ycr n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ycr n ARG 65 N -0.27 -0.93 0.00 1.97 1.74 -0.61 -4.77 116.66 113.79 1ycr n ARG 65 Ca 0.32 0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.56 1ycr n ARG 65 Cb 1.14 -1.66 0.65 0.00 -1.02 0.00 0.00 32.46 31.57 1ycr n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ycr n LEU 66 N -2.20 0.00 -4.94 0.55 4.77 -0.86 -4.81 117.00 109.51 1ycr n LEU 66 Ca -0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 1ycr n LEU 66 Cb 0.23 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1ycr n LEU 66 CO 0.37 0.00 0.14 -0.72 -1.33 0.00 0.00 177.39 175.85 1ycr s TYR 67 N -2.00 3.49 0.30 -1.77 -0.85 -1.26 -0.86 117.35 114.40 1ycr s TYR 67 Ca 0.33 0.31 -0.29 0.00 -0.52 0.00 0.00 57.07 56.90 1ycr s TYR 67 Cb 0.15 -1.86 -0.10 0.00 0.38 0.00 0.00 41.96 40.54 1ycr s TYR 67 CO 0.25 0.17 1.12 0.34 -1.52 0.00 0.00 175.55 175.91 1ycr s ASP 68 N -3.97 7.17 0.24 -0.18 2.15 0.11 -4.92 116.67 117.27 1ycr s ASP 68 Ca 0.39 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.67 1ycr s ASP 68 Cb -0.10 -2.63 0.28 0.00 -0.30 0.00 0.00 42.92 40.17 1ycr s ASP 68 CO 0.35 -0.22 1.63 -0.08 -0.17 0.00 0.00 175.17 176.68 1ycr h GLU 69 N 3.65 0.52 0.00 4.34 4.57 -1.94 -3.01 114.58 122.72 1ycr h GLU 69 Ca -0.47 -0.25 -0.19 0.00 -1.18 0.00 0.00 59.36 57.27 1ycr h GLU 69 Cb 1.21 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 1ycr h GLU 69 CO 0.66 0.81 -1.07 0.87 -1.18 0.00 0.00 179.01 179.11 1ycr h LYS 70 N 0.44 0.00 -3.35 1.92 6.56 -1.99 -3.41 116.57 116.74 1ycr h LYS 70 Ca 0.05 0.00 -0.75 0.00 -1.06 0.00 0.00 60.65 58.89 1ycr h LYS 70 Cb 0.84 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 32.18 1ycr h LYS 70 CO 0.07 0.92 0.18 1.04 -2.06 0.00 0.00 179.45 179.61 1ycr n GLN 71 N -4.47 3.14 0.02 3.15 1.13 -1.25 -4.91 117.38 114.18 1ycr n GLN 71 Ca -0.28 -4.48 0.01 0.00 -1.94 0.00 0.00 57.00 50.31 1ycr n GLN 71 Cb 0.63 -2.47 0.05 0.00 0.11 0.00 0.00 30.24 28.55 1ycr n GLN 71 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1ycr n GLN 72 N 2.34 0.01 0.00 -1.09 6.02 -1.14 -0.95 117.38 122.57 1ycr n GLN 72 Ca 0.23 0.34 0.14 0.00 -0.01 0.00 0.00 57.00 57.70 1ycr n GLN 72 Cb 0.38 -1.74 0.55 0.00 1.02 0.00 0.00 30.24 30.44 1ycr n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1ycr n HIS 73 N -1.41 0.00 -3.27 1.08 1.44 -1.26 -4.54 115.22 107.26 1ycr n HIS 73 Ca -0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1ycr n HIS 73 Cb 0.21 -0.41 -0.07 0.00 0.12 0.00 0.00 29.99 29.84 1ycr n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ycr s ILE 74 N -2.94 5.13 -0.06 0.61 -1.09 -0.13 -0.63 121.20 122.10 1ycr s ILE 74 Ca 0.15 0.94 0.06 0.00 -2.23 0.00 0.00 60.65 59.57 1ycr s ILE 74 Cb 0.19 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1ycr s ILE 74 CO 0.56 0.22 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.56 1ycr s VAL 75 N 1.37 1.91 -0.18 2.92 1.01 -0.33 0.04 120.40 127.15 1ycr s VAL 75 Ca 0.24 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1ycr s VAL 75 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1ycr s VAL 75 CO 0.10 0.53 -0.01 -0.31 0.00 0.00 0.00 175.10 175.41 1ycr s TYR 76 N -0.10 3.05 0.00 5.22 2.02 -0.04 -1.23 117.35 126.27 1ycr s TYR 76 Ca -0.04 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1ycr s TYR 76 Cb -0.13 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1ycr s TYR 76 CO 0.03 -0.12 0.90 0.00 -1.57 0.00 0.00 175.55 174.79 1ycr h SER 78 N 0.00 0.65 -0.28 0.00 4.64 -1.58 0.69 113.55 117.66 1ycr h SER 78 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ycr h SER 78 Cb 1.32 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ycr h SER 78 CO 0.00 0.44 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 1ycr n ASN 79 N -4.71 2.29 -4.22 4.97 6.94 -1.26 -4.90 115.26 114.37 1ycr n ASN 79 Ca 0.07 -2.18 -0.18 0.00 -0.02 0.00 0.00 54.58 52.27 1ycr n ASN 79 Cb 0.10 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.03 1ycr n ASN 79 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ycr s ASP 80 N -0.69 1.86 0.51 0.53 2.15 0.21 -5.02 116.67 116.22 1ycr s ASP 80 Ca 0.22 -0.75 0.20 0.00 0.43 0.00 0.00 52.55 52.64 1ycr s ASP 80 Cb 0.14 -0.06 1.27 0.00 -0.30 0.00 0.00 42.92 43.98 1ycr s ASP 80 CO 0.11 -0.13 2.04 0.25 -0.17 0.00 0.00 175.17 177.26 1ycr h LEU 81 N 3.75 0.08 -1.18 -1.34 5.85 -1.92 0.35 115.31 120.91 1ycr h LEU 81 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1ycr h LEU 81 Cb 1.19 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1ycr h LEU 81 CO 0.48 0.05 0.50 0.25 -0.34 0.00 0.00 178.44 179.37 1ycr h LEU 82 N 0.09 0.92 -0.62 2.25 5.85 -1.96 0.11 115.31 121.96 1ycr h LEU 82 Ca 0.18 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 1ycr h LEU 82 Cb 0.59 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1ycr h LEU 82 CO -0.02 0.69 -0.55 1.23 -0.34 0.00 0.00 178.44 179.46 1ycr h GLY 83 N 1.09 0.45 0.90 3.75 0.00 -0.08 0.26 103.07 109.44 1ycr h GLY 83 Ca 0.29 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1ycr h GLY 83 CO -0.06 0.46 0.10 -0.55 0.00 0.00 0.00 176.54 176.49 1ycr h ASP 84 N 0.31 0.35 0.24 0.19 5.19 -1.02 0.43 116.42 122.12 1ycr h ASP 84 Ca 0.01 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1ycr h ASP 84 Cb 1.06 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.47 1ycr h ASP 84 CO 0.09 0.43 -0.17 0.25 -3.12 0.00 0.00 179.24 176.73 1ycr h LEU 85 N 0.25 -0.43 -1.00 1.55 5.85 -0.57 -3.10 115.31 117.87 1ycr h LEU 85 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1ycr h LEU 85 Cb 0.19 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ycr h LEU 85 CO -0.01 -0.25 0.00 -0.26 -0.34 0.00 0.00 178.44 177.59 1ycr h PHE 86 N -0.39 0.00 -3.31 1.25 0.04 -0.53 -3.47 116.94 110.53 1ycr h PHE 86 Ca -0.03 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.46 1ycr h PHE 86 Cb 0.32 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.51 1ycr h PHE 86 CO 0.00 0.00 -0.42 0.41 -0.60 0.00 0.00 178.31 177.70 1ycr n GLY 87 N 0.11 -0.12 3.15 -1.45 0.00 0.15 -5.02 105.19 102.02 1ycr n GLY 87 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1ycr n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ycr s VAL 88 N -3.00 0.10 0.08 1.61 -7.23 -1.09 -5.04 120.40 105.83 1ycr s VAL 88 Ca 0.23 -0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 59.41 1ycr s VAL 88 Cb -0.10 -0.72 -0.11 0.00 0.56 0.00 0.00 36.38 36.01 1ycr s VAL 88 CO 0.28 -0.45 1.39 1.55 -0.31 0.00 0.00 175.10 177.57 1ycr h PRO 89 N 3.79 0.57 -3.88 4.82 0.13 -1.91 -3.41 132.00 132.12 1ycr h PRO 89 Ca -0.31 -0.30 -0.12 0.00 -0.87 0.00 0.00 66.00 64.40 1ycr h PRO 89 Cb 1.19 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1ycr h PRO 89 CO 0.45 0.89 -0.21 -1.54 -0.23 0.00 0.00 178.00 177.35 1ycr s SER 90 N -6.38 0.10 0.15 1.44 1.04 -1.26 -0.45 113.70 108.35 1ycr s SER 90 Ca -0.13 -1.09 -0.21 0.00 0.48 0.00 0.00 55.95 54.99 1ycr s SER 90 Cb 0.07 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.82 1ycr s SER 90 CO 0.80 -1.12 0.55 0.72 0.98 0.00 0.00 173.24 175.18 1ycr s PHE 91 N -3.88 -0.45 -0.26 5.02 -0.12 -0.36 -4.98 117.98 112.96 1ycr s PHE 91 Ca 0.26 0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 57.28 1ycr s PHE 91 Cb 0.01 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1ycr s PHE 91 CO 0.11 -0.82 0.05 0.45 -0.05 0.00 0.00 175.22 174.96 1ycr s SER 92 N -2.77 4.98 0.33 1.98 0.15 -1.26 -1.18 113.70 115.93 1ycr s SER 92 Ca 0.02 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.54 1ycr s SER 92 Cb -0.00 -1.88 1.20 0.00 -1.71 0.00 0.00 66.02 63.63 1ycr s SER 92 CO -0.12 -0.07 1.69 1.33 1.20 0.00 0.00 173.24 177.27 1ycr n VAL 93 N 4.89 0.98 1.06 4.45 0.24 0.20 -0.85 118.33 129.31 1ycr n VAL 93 Ca -0.16 0.70 0.12 0.00 -2.04 0.00 0.00 64.34 62.95 1ycr n VAL 93 Cb 0.50 -1.69 0.58 0.00 -1.47 0.00 0.00 33.84 31.76 1ycr n VAL 93 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ycr n LYS 94 N -2.29 0.26 -3.40 7.34 5.02 -1.26 -4.20 118.16 119.63 1ycr n LYS 94 Ca -0.01 0.07 -0.44 0.00 -2.02 0.00 0.00 58.31 55.91 1ycr n LYS 94 Cb 0.05 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1ycr n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ycr s GLU 95 N -2.68 3.83 0.19 1.97 2.02 -0.03 -4.91 118.70 119.10 1ycr s GLU 95 Ca 0.20 -2.99 -0.11 0.00 0.02 0.00 0.00 54.97 52.08 1ycr s GLU 95 Cb 0.16 -4.40 0.21 0.00 0.10 0.00 0.00 34.13 30.20 1ycr s GLU 95 CO 0.38 -1.25 1.75 0.45 0.02 0.00 0.00 175.26 176.60 1ycr h HIS 96 N 6.89 0.34 -0.64 1.61 3.86 -1.84 -1.38 115.15 123.98 1ycr h HIS 96 Ca 0.15 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1ycr h HIS 96 Cb 0.91 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 1ycr h HIS 96 CO 0.83 0.10 0.31 -0.09 0.86 0.00 0.00 177.93 179.94 1ycr h ARG 97 N 0.38 0.91 0.26 2.45 2.43 -1.96 -0.39 114.38 118.46 1ycr h ARG 97 Ca 0.27 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1ycr h ARG 97 Cb 0.30 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ycr h ARG 97 CO -0.27 0.70 -0.12 0.87 -1.51 0.00 0.00 179.97 179.63 1ycr h LYS 98 N 0.91 -0.34 -0.23 0.20 1.57 -1.77 -1.48 116.57 115.44 1ycr h LYS 98 Ca 0.23 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1ycr h LYS 98 Cb 0.09 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1ycr h LYS 98 CO -0.03 0.02 -0.12 0.82 -0.57 0.00 0.00 179.45 179.57 1ycr h ILE 99 N -0.79 0.63 -0.86 1.86 1.08 -1.18 -0.38 117.51 117.86 1ycr h ILE 99 Ca -0.04 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1ycr h ILE 99 Cb 0.51 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 1ycr h ILE 99 CO 0.06 0.00 0.57 0.22 -0.69 0.00 0.00 178.15 178.30 1ycr h TYR 100 N -0.10 1.02 -0.16 1.37 3.20 -1.12 -0.47 116.97 120.72 1ycr h TYR 100 Ca 0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1ycr h TYR 100 Cb 0.28 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1ycr h TYR 100 CO -0.29 0.57 -0.11 1.15 -1.64 0.00 0.00 178.16 177.84 1ycr h THR 101 N 1.03 1.33 -0.41 1.81 2.02 -0.40 -1.39 112.91 116.90 1ycr h THR 101 Ca 0.35 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1ycr h THR 101 Cb 0.10 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1ycr h THR 101 CO -0.12 0.36 0.25 0.24 0.37 0.00 0.00 175.52 176.62 1ycr h MET 102 N 0.00 0.55 -0.83 6.66 2.86 -0.64 -1.73 114.93 121.81 1ycr h MET 102 Ca 0.03 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1ycr h MET 102 Cb 0.61 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1ycr h MET 102 CO 0.03 0.41 0.54 0.82 1.06 0.00 0.00 176.91 179.77 1ycr h ILE 103 N 0.54 1.19 -0.13 -1.22 2.04 -1.10 -2.60 117.51 116.22 1ycr h ILE 103 Ca 0.15 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1ycr h ILE 103 Cb -0.00 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1ycr h ILE 103 CO -0.03 0.20 -0.19 1.88 0.00 0.00 0.00 178.15 180.02 1ycr h TYR 104 N 1.10 0.24 0.00 1.37 -1.99 -0.67 -2.23 116.97 114.78 1ycr h TYR 104 Ca 0.31 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1ycr h TYR 104 Cb -0.09 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.57 1ycr h TYR 104 CO -0.02 0.40 0.00 0.00 -0.00 0.00 0.00 178.16 178.55 1ycr h ARG 105 N 0.21 0.00 -0.62 4.88 3.08 -0.92 -1.74 114.38 119.26 1ycr h ARG 105 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ycr h ARG 105 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ycr h ARG 105 CO 0.03 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.02 1ycr n ASN 106 N -2.96 3.97 -4.54 7.04 4.13 -0.84 -4.97 115.26 117.10 1ycr n ASN 106 Ca -0.02 -2.15 -0.25 0.00 1.68 0.00 0.00 54.58 53.84 1ycr n ASN 106 Cb 0.10 -0.47 -0.11 0.00 -1.54 0.00 0.00 39.78 37.77 1ycr n ASN 106 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ycr s LEU 107 N -1.28 2.59 -0.01 3.41 1.43 -0.66 -0.53 118.68 123.64 1ycr s LEU 107 Ca 0.44 -1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1ycr s LEU 107 Cb 0.25 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1ycr s LEU 107 CO 0.27 -0.48 0.05 0.54 0.23 0.00 0.00 176.35 176.96 1ycr s VAL 108 N -2.93 0.03 0.00 -1.59 0.11 -0.85 -4.90 120.40 110.26 1ycr s VAL 108 Ca 0.35 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1ycr s VAL 108 Cb 0.09 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.77 1ycr s VAL 108 CO 0.17 -0.14 0.00 0.52 -3.33 0.00 0.00 175.10 172.31