#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rlk s LYS 3 N 0.00 4.51 0.10 5.55 -0.14 -1.26 -2.73 119.74 125.77 1rlk s LYS 3 Ca 0.00 1.12 0.03 0.00 -1.36 0.00 0.00 55.97 55.76 1rlk s LYS 3 Cb 0.00 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1rlk s LYS 3 CO 0.00 0.19 -0.08 0.15 -0.76 0.00 0.00 175.35 174.84 1rlk s LYS 4 N 0.27 0.85 -0.01 1.68 -0.14 -0.55 -4.61 119.74 117.24 1rlk s LYS 4 Ca 0.41 -1.27 0.01 0.00 -1.36 0.00 0.00 55.97 53.76 1rlk s LYS 4 Cb -0.20 -0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 35.55 1rlk s LYS 4 CO 0.23 0.03 -0.00 1.41 -0.76 0.00 0.00 175.35 176.26 1rlk s MET 5 N -3.41 2.80 -0.04 1.68 -2.45 -0.61 -1.28 119.30 115.98 1rlk s MET 5 Ca 0.10 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.99 1rlk s MET 5 Cb 0.02 -2.67 -0.02 0.00 1.25 0.00 0.00 34.83 33.40 1rlk s MET 5 CO -0.02 0.63 -0.20 0.08 1.05 0.00 0.00 175.02 176.56 1rlk s VAL 6 N -1.07 2.56 -0.11 10.11 1.01 -0.58 -0.53 120.40 131.80 1rlk s VAL 6 Ca 0.19 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1rlk s VAL 6 Cb -0.11 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1rlk s VAL 6 CO 0.09 0.58 -0.16 -0.63 0.00 0.00 0.00 175.10 174.98 1rlk s ILE 7 N -0.59 1.58 -0.21 2.22 1.09 -0.02 -0.27 121.20 125.00 1rlk s ILE 7 Ca 0.09 -0.70 -0.07 0.00 -1.10 0.00 0.00 60.65 58.87 1rlk s ILE 7 Cb -0.11 -1.43 -0.03 0.00 -1.06 0.00 0.00 42.46 39.83 1rlk s ILE 7 CO 0.00 0.46 0.04 0.00 -0.10 0.00 0.00 174.94 175.34 1rlk s ALA 8 N 0.92 3.20 -0.12 9.38 0.00 -0.36 -1.49 121.76 133.29 1rlk s ALA 8 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1rlk s ALA 8 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1rlk s ALA 8 CO -0.01 -0.12 -0.12 0.08 0.00 0.00 0.00 175.76 175.60 1rlk s VAL 9 N 0.93 3.19 0.17 0.00 1.01 0.06 -1.09 120.40 124.68 1rlk s VAL 9 Ca 0.03 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1rlk s VAL 9 Cb -0.14 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 1rlk s VAL 9 CO 0.02 0.53 1.39 -0.13 0.00 0.00 0.00 175.10 176.92 1rlk s ARG 10 N 0.12 4.32 0.01 2.72 0.52 -0.53 -0.40 118.95 125.72 1rlk s ARG 10 Ca -0.06 2.14 0.22 0.00 -0.52 0.00 0.00 55.73 57.51 1rlk s ARG 10 Cb -0.15 -3.19 -0.17 0.00 0.52 0.00 0.00 34.95 31.96 1rlk s ARG 10 CO 0.04 -0.39 0.80 0.36 0.02 0.00 0.00 175.30 176.14 1rlk n LYS 11 N 3.21 0.33 -0.02 3.54 2.85 -0.46 -4.36 118.16 123.24 1rlk n LYS 11 Ca 0.09 -0.07 0.09 0.00 -1.05 0.00 0.00 58.31 57.37 1rlk n LYS 11 Cb 0.42 -1.54 0.44 0.00 -0.65 0.00 0.00 35.03 33.70 1rlk n LYS 11 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1rlk n ASP 12 N -1.93 0.46 -0.49 -5.58 5.75 -1.25 -4.00 116.55 109.51 1rlk n ASP 12 Ca 0.01 -1.56 0.11 0.00 -0.01 0.00 0.00 54.79 53.34 1rlk n ASP 12 Cb 0.45 -0.03 0.07 0.00 -1.03 0.00 0.00 41.12 40.58 1rlk n ASP 12 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rlk n LEU 13 N -0.45 1.94 -2.04 -2.12 4.77 -1.26 -4.97 117.00 112.86 1rlk n LEU 13 Ca 0.13 -0.69 -0.15 0.00 -0.03 0.00 0.00 56.01 55.27 1rlk n LEU 13 Cb 0.13 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1rlk n LEU 13 CO 0.10 0.36 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.84 1rlk n ASP 14 N -0.01 -4.55 -4.73 -1.43 2.03 -1.26 -4.96 116.55 101.65 1rlk n ASP 14 Ca 0.10 -0.18 -0.41 0.00 0.52 0.00 0.00 54.79 54.82 1rlk n ASP 14 Cb 0.46 -3.42 -0.04 0.00 -0.72 0.00 0.00 41.12 37.40 1rlk n ASP 14 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1rlk s MET 15 N -5.28 4.66 0.96 -0.67 -1.94 -1.26 -5.05 119.30 110.72 1rlk s MET 15 Ca 0.19 1.48 -0.12 0.00 -1.71 0.00 0.00 55.69 55.53 1rlk s MET 15 Cb -0.09 -3.38 0.17 0.00 2.01 0.00 0.00 34.83 33.54 1rlk s MET 15 CO 0.24 0.14 1.10 0.20 -0.01 0.00 0.00 175.02 176.70 1rlk s GLY 16 N 0.19 1.57 0.21 -0.03 0.00 -1.26 -4.78 107.32 103.23 1rlk s GLY 16 Ca 0.48 -0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 1rlk s GLY 16 CO 0.30 0.21 1.77 0.50 0.00 0.00 0.00 173.10 175.88 1rlk h LYS 17 N -1.74 0.52 -0.27 2.90 1.57 -1.99 -1.00 116.57 116.56 1rlk h LYS 17 Ca -0.53 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.15 1rlk h LYS 17 Cb 1.32 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1rlk h LYS 17 CO 0.58 0.34 -0.12 0.78 -0.57 0.00 0.00 179.45 180.47 1rlk h GLY 18 N 0.53 0.61 1.01 3.86 0.00 -1.99 -2.37 103.07 104.71 1rlk h GLY 18 Ca 0.32 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1rlk h GLY 18 CO -0.26 0.49 0.38 1.70 0.00 0.00 0.00 176.54 178.85 1rlk h LYS 19 N 0.31 0.98 -0.26 4.80 3.64 -1.86 -1.45 116.57 122.73 1rlk h LYS 19 Ca 0.06 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1rlk h LYS 19 Cb 0.62 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1rlk h LYS 19 CO 0.04 0.74 0.13 0.82 -2.27 0.00 0.00 179.45 178.91 1rlk h ILE 20 N 0.97 1.00 -0.52 2.00 2.04 -1.16 -0.23 117.51 121.61 1rlk h ILE 20 Ca 0.25 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1rlk h ILE 20 Cb 0.04 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1rlk h ILE 20 CO -0.04 0.05 0.26 0.00 0.00 0.00 0.00 178.15 178.42 1rlk h ALA 21 N 1.12 0.67 -0.77 1.87 0.00 -1.21 0.02 119.26 120.97 1rlk h ALA 21 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1rlk h ALA 21 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1rlk h ALA 21 CO -0.06 -0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.41 1rlk h ALA 22 N 1.29 1.00 -0.30 0.00 0.00 -0.81 -0.33 119.26 120.10 1rlk h ALA 22 Ca 0.23 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1rlk h ALA 22 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1rlk h ALA 22 CO -0.17 0.62 -0.29 1.96 0.00 0.00 0.00 179.25 181.38 1rlk h GLN 23 N 1.11 0.73 -0.77 0.00 1.08 -0.63 -0.79 115.11 115.85 1rlk h GLN 23 Ca 0.26 -0.38 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1rlk h GLN 23 Cb 0.21 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1rlk h GLN 23 CO -0.02 1.00 0.51 0.28 -0.95 0.00 0.00 178.83 179.65 1rlk h VAL 24 N 0.48 1.20 -0.76 -0.54 2.07 -0.86 -2.06 116.25 115.77 1rlk h VAL 24 Ca 0.05 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1rlk h VAL 24 Cb 0.86 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1rlk h VAL 24 CO 0.07 0.19 0.42 0.00 0.02 0.00 0.00 177.57 178.28 1rlk h ALA 25 N 1.28 1.32 -0.09 1.67 0.00 -0.81 -1.14 119.26 121.49 1rlk h ALA 25 Ca 0.28 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1rlk h ALA 25 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1rlk h ALA 25 CO -0.06 0.56 0.00 1.25 0.00 0.00 0.00 179.25 181.00 1rlk h HIS 26 N 1.06 -0.00 -0.82 0.00 6.17 -0.66 -0.77 115.15 120.13 1rlk h HIS 26 Ca 0.27 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.37 1rlk h HIS 26 Cb 0.01 0.01 -0.04 0.00 2.52 0.00 0.00 27.41 29.91 1rlk h HIS 26 CO 0.01 -0.01 0.54 0.00 0.71 0.00 0.00 177.93 179.18 1rlk h ALA 27 N 1.07 1.05 -0.39 5.26 0.00 -0.99 -2.36 119.26 122.90 1rlk h ALA 27 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1rlk h ALA 27 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rlk h ALA 27 CO -0.07 0.43 -0.39 0.00 0.00 0.00 0.00 179.25 179.23 1rlk h ALA 28 N 1.31 0.57 -0.17 0.00 0.00 -0.95 -1.55 119.26 118.48 1rlk h ALA 28 Ca 0.31 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1rlk h ALA 28 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rlk h ALA 28 CO -0.07 0.68 0.06 0.28 0.00 0.00 0.00 179.25 180.20 1rlk h VAL 29 N 0.77 1.17 -0.35 0.00 2.07 -0.97 -1.11 116.25 117.84 1rlk h VAL 29 Ca 0.06 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1rlk h VAL 29 Cb 0.99 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1rlk h VAL 29 CO 0.10 0.16 -0.01 0.74 0.02 0.00 0.00 177.57 178.58 1rlk h THR 30 N 0.10 1.26 -0.77 2.57 2.02 -1.35 -1.88 112.91 114.86 1rlk h THR 30 Ca 0.05 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 1rlk h THR 30 Cb 0.20 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1rlk h THR 30 CO -0.00 0.33 0.27 0.00 0.37 0.00 0.00 175.52 176.48 1rlk h ALA 32 N 1.14 0.31 -0.23 0.00 0.00 -1.02 -0.45 119.26 119.01 1rlk h ALA 32 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1rlk h ALA 32 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rlk h ALA 32 CO -0.01 0.09 0.02 0.82 0.00 0.00 0.00 179.25 180.17 1rlk h ILE 33 N 0.17 1.24 -0.73 0.00 2.04 -1.29 -0.32 117.51 118.62 1rlk h ILE 33 Ca 0.06 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1rlk h ILE 33 Cb 0.50 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1rlk h ILE 33 CO 0.02 0.26 0.46 -0.09 0.00 0.00 0.00 178.15 178.80 1rlk h ARG 34 N 0.19 0.86 -0.09 2.37 2.43 -1.31 -2.56 114.38 116.26 1rlk h ARG 34 Ca 0.07 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1rlk h ARG 34 Cb 0.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1rlk h ARG 34 CO 0.01 0.57 -0.37 0.77 -1.51 0.00 0.00 179.97 179.43 1rlk h SER 35 N 0.88 0.20 -0.33 -3.80 0.02 -0.84 -1.05 113.55 108.64 1rlk h SER 35 Ca 0.30 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1rlk h SER 35 Cb 0.05 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1rlk h SER 35 CO -0.12 0.56 0.10 -0.03 -1.14 0.00 0.00 176.83 176.20 1rlk h MET 36 N 0.17 0.60 0.10 3.45 1.85 -0.70 0.13 114.93 120.51 1rlk h MET 36 Ca 0.02 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1rlk h MET 36 Cb 0.74 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.67 1rlk h MET 36 CO 0.06 0.55 -0.05 0.87 -0.40 0.00 0.00 176.91 177.94 1rlk h LYS 37 N 0.59 -0.12 0.00 0.39 1.57 -0.92 -3.36 116.57 114.71 1rlk h LYS 37 Ca 0.14 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1rlk h LYS 37 Cb 0.22 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1rlk h LYS 37 CO -0.00 0.38 -1.08 0.44 -0.57 0.00 0.00 179.45 178.62 1rlk n ILE 38 N -4.83 0.00 -2.75 1.86 -5.35 -0.49 -4.58 119.36 103.22 1rlk n ILE 38 Ca -0.07 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.15 1rlk n ILE 38 Cb 0.28 0.79 0.02 0.00 -1.74 0.00 0.00 39.64 39.00 1rlk n ILE 38 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1rlk n ASN 39 N -1.59 1.18 -0.03 7.28 5.15 0.41 -5.01 115.26 122.65 1rlk n ASN 39 Ca 0.02 -2.76 -0.09 0.00 -0.60 0.00 0.00 54.58 51.15 1rlk n ASN 39 Cb 0.33 -0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 39.09 1rlk n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1rlk h ARG 40 N 2.96 0.15 -0.99 1.20 9.65 -1.66 -1.13 114.38 124.56 1rlk h ARG 40 Ca -0.08 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1rlk h ARG 40 Cb 1.15 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 1rlk h ARG 40 CO 0.47 0.10 0.66 -0.44 2.80 0.00 0.00 179.97 183.56 1rlk h ASP 41 N 0.15 1.14 0.03 -3.80 3.32 -1.92 0.15 116.42 115.49 1rlk h ASP 41 Ca 0.08 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 1rlk h ASP 41 Cb 0.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1rlk h ASP 41 CO -0.08 0.83 -0.68 0.58 -1.72 0.00 0.00 179.24 178.16 1rlk h VAL 42 N 1.34 1.32 -0.19 -1.35 2.07 -1.82 -2.29 116.25 115.33 1rlk h VAL 42 Ca 0.36 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1rlk h VAL 42 Cb -0.15 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1rlk h VAL 42 CO -0.08 0.61 0.10 0.15 0.02 0.00 0.00 177.57 178.37 1rlk h PHE 43 N 0.43 0.28 -0.76 1.57 3.57 -0.62 -2.15 116.94 119.25 1rlk h PHE 43 Ca -0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1rlk h PHE 43 Cb 1.27 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1rlk h PHE 43 CO 0.06 0.28 0.49 -0.91 -2.23 0.00 0.00 178.31 175.99 1rlk h ASN 44 N 0.19 0.82 0.13 0.41 2.35 -0.70 0.27 115.58 119.05 1rlk h ASN 44 Ca 0.07 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1rlk h ASN 44 Cb 0.10 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1rlk h ASN 44 CO -0.01 0.57 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.20 1rlk h GLU 45 N 0.97 -0.17 -0.67 0.81 4.81 -1.37 -0.65 114.58 118.31 1rlk h GLU 45 Ca 0.29 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.66 1rlk h GLU 45 Cb -0.03 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.26 1rlk h GLU 45 CO -0.09 0.13 -0.29 2.35 -0.73 0.00 0.00 179.01 180.38 1rlk h TRP 46 N -0.47 -0.75 -0.36 0.92 7.01 -1.28 -1.39 115.95 119.64 1rlk h TRP 46 Ca -0.02 0.07 -0.12 0.00 2.11 0.00 0.00 58.89 60.94 1rlk h TRP 46 Cb 0.38 0.43 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1rlk h TRP 46 CO 0.02 -0.36 -0.24 -0.92 -2.79 0.00 0.00 178.44 174.15 1rlk h TYR 47 N -0.09 0.83 0.00 2.65 3.20 -0.74 0.03 116.97 122.85 1rlk h TYR 47 Ca 0.28 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1rlk h TYR 47 Cb 0.55 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1rlk h TYR 47 CO -0.64 0.90 0.00 -0.44 -1.64 0.00 0.00 178.16 176.34 1rlk h ASP 48 N 0.63 0.00 -0.21 -2.11 3.32 -0.81 -2.64 116.42 114.60 1rlk h ASP 48 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1rlk h ASP 48 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1rlk h ASP 48 CO 0.06 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.96 1rlk n GLU 49 N -3.01 1.81 0.00 3.56 1.02 -0.55 -4.91 120.64 118.56 1rlk n GLU 49 Ca 0.03 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 1rlk n GLU 49 Cb 0.47 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1rlk n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rlk n GLY 50 N 1.15 1.46 3.99 0.62 0.00 -1.00 -4.59 105.19 106.82 1rlk n GLY 50 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1rlk n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rlk n GLN 51 N -1.53 -0.90 -1.75 1.61 10.64 -0.03 -4.82 117.38 120.61 1rlk n GLN 51 Ca 0.00 0.06 -0.42 0.00 -1.83 0.00 0.00 57.00 54.82 1rlk n GLN 51 Cb 0.00 -2.82 -0.00 0.00 -0.86 0.00 0.00 30.24 26.56 1rlk n GLN 51 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1rlk n ARG 52 N -3.97 2.53 -4.36 2.61 5.12 -1.26 -4.87 116.66 112.46 1rlk n ARG 52 Ca -0.25 0.89 -0.19 0.00 -1.93 0.00 0.00 57.85 56.37 1rlk n ARG 52 Cb 0.56 -2.59 -0.15 0.00 -1.16 0.00 0.00 32.46 29.12 1rlk n ARG 52 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1rlk s LYS 53 N -1.78 0.74 -0.15 5.56 1.02 -1.26 -1.57 119.74 122.30 1rlk s LYS 53 Ca 0.56 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.17 1rlk s LYS 53 Cb -0.51 -0.71 -0.02 0.00 -0.52 0.00 0.00 37.83 36.07 1rlk s LYS 53 CO 0.61 0.19 -0.08 0.42 -0.92 0.00 0.00 175.35 175.57 1rlk s ILE 54 N -0.26 3.45 -0.23 2.17 1.01 0.31 -4.95 121.20 122.69 1rlk s ILE 54 Ca 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1rlk s ILE 54 Cb -0.04 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1rlk s ILE 54 CO -0.00 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.66 1rlk s VAL 55 N 0.52 2.84 0.32 2.92 1.01 -1.26 -0.84 120.40 125.91 1rlk s VAL 55 Ca -0.06 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1rlk s VAL 55 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1rlk s VAL 55 CO 0.03 0.29 0.10 0.68 0.00 0.00 0.00 175.10 176.21 1rlk s VAL 56 N 1.35 3.17 0.06 2.92 -7.23 -0.56 -1.10 120.40 119.01 1rlk s VAL 56 Ca 0.02 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 1rlk s VAL 56 Cb -0.16 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 1rlk s VAL 56 CO -0.06 -0.24 -0.15 -1.59 -0.31 0.00 0.00 175.10 172.75 1rlk s LYS 57 N -3.80 2.09 0.16 4.82 -2.85 0.38 -0.76 119.74 119.79 1rlk s LYS 57 Ca 0.36 -0.99 0.07 0.00 -1.00 0.00 0.00 55.97 54.41 1rlk s LYS 57 Cb -0.04 -2.23 -0.04 0.00 -2.06 0.00 0.00 37.83 33.46 1rlk s LYS 57 CO 0.22 0.53 -0.14 0.14 0.10 0.00 0.00 175.35 176.20 1rlk s VAL 58 N -1.01 1.50 0.16 1.79 -7.23 0.46 -4.00 120.40 112.07 1rlk s VAL 58 Ca 0.16 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1rlk s VAL 58 Cb -0.11 -1.77 -0.15 0.00 0.56 0.00 0.00 36.38 34.91 1rlk s VAL 58 CO 0.08 -0.50 1.37 0.78 -0.31 0.00 0.00 175.10 176.51 1rlk h ASN 59 N 3.10 0.32 -2.41 4.85 2.35 -1.97 -1.23 115.58 120.59 1rlk h ASN 59 Ca -0.39 -0.26 0.06 0.00 -0.55 0.00 0.00 56.30 55.16 1rlk h ASN 59 Cb 1.20 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1rlk h ASN 59 CO 0.56 1.05 0.37 -0.90 -1.65 0.00 0.00 177.43 176.86 1rlk n ASP 60 N -3.69 -1.66 -0.37 5.81 5.68 -1.26 -3.87 116.55 117.20 1rlk n ASP 60 Ca -0.04 -2.02 -0.02 0.00 -0.50 0.00 0.00 54.79 52.21 1rlk n ASP 60 Cb 0.81 2.73 0.10 0.00 -1.14 0.00 0.00 41.12 43.62 1rlk n ASP 60 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1rlk h LEU 61 N 0.00 1.14 -0.97 -2.12 5.85 -1.94 -2.32 115.31 114.95 1rlk h LEU 61 Ca -0.25 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.56 1rlk h LEU 61 Cb 1.01 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1rlk h LEU 61 CO 0.33 0.84 0.59 0.44 -0.34 0.00 0.00 178.44 180.30 1rlk h ASP 62 N 1.34 0.83 -0.33 1.25 3.32 -1.99 -0.70 116.42 120.14 1rlk h ASP 62 Ca 0.36 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.41 1rlk h ASP 62 Cb -0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1rlk h ASP 62 CO -0.07 0.41 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.51 1rlk h GLU 63 N 0.89 0.60 -0.66 3.56 4.39 -1.83 -0.59 114.58 120.94 1rlk h GLU 63 Ca 0.50 -0.20 0.14 0.00 0.34 0.00 0.00 59.36 60.14 1rlk h GLU 63 Cb 0.57 -0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.07 1rlk h GLU 63 CO -0.30 0.73 0.09 0.82 -1.16 0.00 0.00 179.01 179.19 1rlk h ILE 64 N 0.40 0.52 0.00 3.13 1.08 -1.12 -1.68 117.51 119.84 1rlk h ILE 64 Ca 0.09 -0.07 -0.11 0.00 -0.39 0.00 0.00 64.86 64.39 1rlk h ILE 64 Cb 0.47 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 1rlk h ILE 64 CO 0.02 0.04 -0.51 0.24 -0.69 0.00 0.00 178.15 177.24 1rlk h MET 65 N 0.19 0.00 -0.36 2.37 2.86 -0.72 -1.78 114.93 117.49 1rlk h MET 65 Ca 0.36 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.90 1rlk h MET 65 Cb 0.59 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1rlk h MET 65 CO -0.51 0.51 -0.17 1.49 1.06 0.00 0.00 176.91 179.29 1rlk h GLU 66 N 0.00 0.76 -0.16 1.72 4.57 -0.61 -0.57 114.58 120.28 1rlk h GLU 66 Ca -0.01 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1rlk h GLU 66 Cb 1.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1rlk h GLU 66 CO 0.07 0.94 0.10 0.82 -1.18 0.00 0.00 179.01 179.76 1rlk h ILE 67 N 0.54 1.03 -0.16 2.32 2.04 -1.11 -1.79 117.51 120.38 1rlk h ILE 67 Ca 0.08 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1rlk h ILE 67 Cb 0.72 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1rlk h ILE 67 CO 0.05 0.04 -0.29 0.50 0.00 0.00 0.00 178.15 178.45 1rlk h LYS 68 N 0.20 -0.33 -0.54 2.37 1.63 -1.23 0.18 116.57 118.86 1rlk h LYS 68 Ca 0.06 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 1rlk h LYS 68 Cb -0.01 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.61 1rlk h LYS 68 CO -0.02 -0.22 0.01 -0.09 -3.45 0.00 0.00 179.45 175.67 1rlk h ARG 69 N -0.34 0.12 -0.37 1.90 2.43 -0.80 -1.03 114.38 116.29 1rlk h ARG 69 Ca 0.11 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1rlk h ARG 69 Cb 0.51 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1rlk h ARG 69 CO -0.36 0.08 -0.21 0.52 -1.51 0.00 0.00 179.97 178.49 1rlk h MET 70 N 0.12 0.79 -0.23 0.20 2.86 -0.66 -2.21 114.93 115.80 1rlk h MET 70 Ca 0.27 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1rlk h MET 70 Cb 0.42 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1rlk h MET 70 CO -0.45 0.99 0.14 0.00 1.06 0.00 0.00 176.91 178.65 1rlk h ALA 71 N 0.79 0.29 -0.54 6.32 0.00 -0.18 -1.84 119.26 124.09 1rlk h ALA 71 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rlk h ALA 71 Cb 0.77 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1rlk h ALA 71 CO 0.06 -0.21 0.36 -0.44 0.00 0.00 0.00 179.25 179.01 1rlk h ASP 72 N 0.29 0.61 -0.69 0.00 3.32 -1.18 0.20 116.42 118.97 1rlk h ASP 72 Ca 0.08 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.19 1rlk h ASP 72 Cb -0.00 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1rlk h ASP 72 CO -0.02 0.44 0.46 -1.28 -1.72 0.00 0.00 179.24 177.12 1rlk h SER 73 N 0.73 0.58 0.10 6.45 0.87 -1.07 -1.44 113.55 119.76 1rlk h SER 73 Ca 0.20 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1rlk h SER 73 Cb -0.08 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1rlk h SER 73 CO -0.05 0.37 -0.16 0.23 -0.53 0.00 0.00 176.83 176.69 1rlk n MET 74 N -4.48 1.31 -2.38 2.24 2.81 -0.72 -4.94 117.12 110.95 1rlk n MET 74 Ca 0.11 -0.84 -0.09 0.00 -1.81 0.00 0.00 57.70 55.07 1rlk n MET 74 Cb 0.27 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.31 1rlk n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rlk n GLY 75 N 1.29 0.09 3.75 3.03 0.00 -0.47 -5.01 105.19 107.87 1rlk n GLY 75 Ca 0.15 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1rlk n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rlk s ILE 76 N -2.62 5.31 0.19 -0.61 1.01 -0.06 -5.02 121.20 119.39 1rlk s ILE 76 Ca 0.07 0.52 -0.33 0.00 0.00 0.00 0.00 60.65 60.90 1rlk s ILE 76 Cb -0.03 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.70 1rlk s ILE 76 CO 0.08 0.43 1.52 0.52 0.00 0.00 0.00 174.94 177.49 1rlk n VAL 77 N 3.29 0.34 -3.70 2.92 0.31 -1.26 -4.42 118.33 115.81 1rlk n VAL 77 Ca -0.13 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 1rlk n VAL 77 Cb 0.52 -1.52 -0.07 0.00 -0.91 0.00 0.00 33.84 31.85 1rlk n VAL 77 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1rlk s ASN 78 N 0.69 -0.28 -0.08 4.52 2.20 -1.26 -0.66 114.94 120.07 1rlk s ASN 78 Ca 0.75 0.13 -0.03 0.00 -0.94 0.00 0.00 52.86 52.77 1rlk s ASN 78 Cb -0.67 0.38 0.04 0.00 -2.00 0.00 0.00 41.25 39.01 1rlk s ASN 78 CO 0.42 -0.55 0.11 -0.70 -2.94 0.00 0.00 177.10 173.44 1rlk s GLU 79 N -1.75 -0.01 0.08 3.55 2.56 -0.31 -4.96 118.70 117.86 1rlk s GLU 79 Ca -0.10 0.40 -0.30 0.00 0.00 0.00 0.00 54.97 54.97 1rlk s GLU 79 Cb -0.03 -0.57 -0.06 0.00 2.00 0.00 0.00 34.13 35.47 1rlk s GLU 79 CO 0.03 -0.37 1.15 0.42 -0.56 0.00 0.00 175.26 175.92 1rlk s ILE 80 N 2.22 4.10 -0.11 -3.70 1.01 -1.26 -0.81 121.20 122.65 1rlk s ILE 80 Ca 0.04 1.57 -0.01 0.00 0.00 0.00 0.00 60.65 62.25 1rlk s ILE 80 Cb -0.13 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1rlk s ILE 80 CO -0.05 0.16 -0.05 -0.69 0.00 0.00 0.00 174.94 174.30 1rlk s VAL 81 N 0.74 3.79 -0.04 2.92 1.01 -0.09 -5.00 120.40 123.73 1rlk s VAL 81 Ca 0.56 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1rlk s VAL 81 Cb -0.28 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1rlk s VAL 81 CO 0.30 0.55 -0.20 -1.10 0.00 0.00 0.00 175.10 174.66 1rlk s GLN 82 N -0.28 1.98 0.31 2.72 -0.21 -1.26 -0.81 119.66 122.11 1rlk s GLN 82 Ca 0.04 -0.72 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 1rlk s GLN 82 Cb -0.13 -1.74 0.07 0.00 1.00 0.00 0.00 33.01 32.22 1rlk s GLN 82 CO 0.02 0.32 0.38 -0.40 -2.12 0.00 0.00 175.29 173.49 1rlk n ASP 83 N 2.98 -0.34 -4.81 5.90 5.68 -0.31 -4.80 116.55 120.84 1rlk n ASP 83 Ca -0.17 -1.02 -0.33 0.00 -0.50 0.00 0.00 54.79 52.77 1rlk n ASP 83 Cb 0.53 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 1rlk n ASP 83 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rlk s ARG 84 N -3.83 3.66 1.11 0.11 1.70 -1.26 -2.79 118.95 117.65 1rlk s ARG 84 Ca 0.22 1.16 -0.18 0.00 -0.47 0.00 0.00 55.73 56.47 1rlk s ARG 84 Cb -0.01 -2.08 0.25 0.00 -0.57 0.00 0.00 34.95 32.53 1rlk s ARG 84 CO 0.16 -0.53 1.17 0.20 -1.08 0.00 0.00 175.30 175.22 1rlk s GLY 85 N -2.66 1.63 0.44 3.88 0.00 -1.26 -4.53 107.32 104.82 1rlk s GLY 85 Ca 0.63 -0.95 0.25 0.00 0.00 0.00 0.00 44.72 44.65 1rlk s GLY 85 CO 0.30 -0.14 1.70 -0.97 0.00 0.00 0.00 173.10 174.00 1rlk h TYR 86 N -2.23 0.00 -3.30 1.90 -1.99 -1.91 -3.44 116.97 106.00 1rlk h TYR 86 Ca -0.46 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.60 1rlk h TYR 86 Cb 1.28 0.00 -0.31 0.00 2.00 0.00 0.00 36.73 39.70 1rlk h TYR 86 CO -1.58 0.00 -0.83 0.99 -0.00 0.00 0.00 178.16 176.75 1rlk s THR 87 N -3.29 2.47 0.37 -2.88 2.01 -1.26 -5.04 115.64 108.02 1rlk s THR 87 Ca 0.06 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1rlk s THR 87 Cb 0.07 -2.01 0.21 0.00 0.01 0.00 0.00 72.50 70.78 1rlk s THR 87 CO 0.63 0.54 1.97 -0.61 -0.69 0.00 0.00 174.62 176.46 1rlk h GLN 88 N 6.98 0.55 -0.11 4.92 5.75 -1.99 -2.83 115.11 128.37 1rlk h GLN 88 Ca -0.27 -0.07 -0.20 0.00 -0.15 0.00 0.00 58.65 57.96 1rlk h GLN 88 Cb 1.21 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1rlk h GLN 88 CO 0.53 0.46 -0.75 0.28 -2.65 0.00 0.00 178.83 176.71 1rlk h VAL 89 N 0.55 1.33 -3.49 2.39 2.07 -1.99 -3.46 116.25 113.65 1rlk h VAL 89 Ca 0.13 -2.06 -0.50 0.00 0.82 0.00 0.00 66.70 65.09 1rlk h VAL 89 Cb 0.12 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1rlk h VAL 89 CO -0.01 0.63 0.01 -1.61 0.02 0.00 0.00 177.57 176.62 1rlk s GLU 90 N -3.68 3.70 0.60 1.57 2.02 -1.07 -5.07 118.70 116.76 1rlk s GLU 90 Ca -0.08 0.26 -0.16 0.00 0.02 0.00 0.00 54.97 55.01 1rlk s GLU 90 Cb 0.10 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 1rlk s GLU 90 CO 0.87 0.05 1.07 -1.25 0.02 0.00 0.00 175.26 176.02 1rlk s PRO 91 N -3.80 3.25 0.00 0.39 0.04 -1.26 -4.20 135.00 129.41 1rlk s PRO 91 Ca 0.48 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1rlk s PRO 91 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1rlk s PRO 91 CO 0.32 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1rlk n GLY 92 N -0.77 1.49 3.77 0.56 0.00 -1.12 -4.69 105.19 104.42 1rlk n GLY 92 Ca 0.09 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1rlk n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rlk s THR 93 N 1.35 3.53 -0.14 2.61 2.01 -1.26 -4.64 115.64 119.11 1rlk s THR 93 Ca 0.00 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.07 1rlk s THR 93 Cb 0.00 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1rlk s THR 93 CO 0.00 0.19 1.33 -0.63 -0.69 0.00 0.00 174.62 174.82 1rlk s ILE 94 N -1.39 4.15 -0.16 1.82 1.01 -1.26 -1.17 121.20 124.20 1rlk s ILE 94 Ca 0.51 1.40 0.06 0.00 0.00 0.00 0.00 60.65 62.62 1rlk s ILE 94 Cb -0.28 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 1rlk s ILE 94 CO 0.35 -0.12 -0.07 0.35 0.00 0.00 0.00 174.94 175.46 1rlk n THR 95 N 5.36 1.00 -3.81 2.92 -2.24 0.01 -4.95 114.28 112.57 1rlk n THR 95 Ca 0.14 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 1rlk n THR 95 Cb 0.44 -0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1rlk n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rlk s ILE 97 N -3.06 0.16 0.10 0.00 2.07 -0.25 -0.91 121.20 119.30 1rlk s ILE 97 Ca 0.14 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.38 1rlk s ILE 97 Cb -0.03 -0.25 -0.06 0.00 0.13 0.00 0.00 42.46 42.25 1rlk s ILE 97 CO 0.05 0.13 0.39 -0.83 -1.91 0.00 0.00 174.94 172.78 1rlk s GLY 98 N 0.92 2.30 -0.03 1.50 0.00 0.01 -1.23 107.32 110.80 1rlk s GLY 98 Ca -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.21 1rlk s GLY 98 CO -0.02 -0.26 -0.06 1.08 0.00 0.00 0.00 173.10 173.85 1rlk s LEU 99 N -2.14 1.55 0.00 0.66 1.43 0.63 -1.16 118.68 119.65 1rlk s LEU 99 Ca 0.35 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1rlk s LEU 99 Cb -0.13 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1rlk s LEU 99 CO 0.20 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1rlk n GLY 100 N 3.69 -1.54 3.77 -3.19 0.00 0.16 -1.53 105.19 106.55 1rlk n GLY 100 Ca -0.22 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 1rlk n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rlk s PRO 101 N 0.00 3.16 0.00 1.61 0.04 -1.26 -4.54 135.00 134.01 1rlk s PRO 101 Ca 0.00 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1rlk s PRO 101 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1rlk s PRO 101 CO 0.00 -1.02 0.00 -3.47 0.04 0.00 0.00 177.00 172.55 1rlk n ASP 102 N -1.51 0.00 -4.71 6.66 -0.08 -0.40 -4.85 116.55 111.66 1rlk n ASP 102 Ca 0.12 -0.81 -0.42 0.00 -1.51 0.00 0.00 54.79 52.17 1rlk n ASP 102 Cb 0.51 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 1rlk n ASP 102 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1rlk s GLU 103 N -1.43 4.40 0.28 -0.67 2.02 -1.26 -1.48 118.70 120.56 1rlk s GLU 103 Ca 0.00 1.78 0.02 0.00 0.02 0.00 0.00 54.97 56.79 1rlk s GLU 103 Cb 0.00 -3.40 0.62 0.00 0.10 0.00 0.00 34.13 31.46 1rlk s GLU 103 CO 0.00 -0.32 1.75 1.49 0.02 0.00 0.00 175.26 178.20 1rlk h GLU 104 N 6.99 0.59 -0.82 1.61 4.81 -1.82 -1.04 114.58 124.90 1rlk h GLU 104 Ca -0.40 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1rlk h GLU 104 Cb 1.20 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1rlk h GLU 104 CO 0.83 0.39 0.50 1.49 -0.73 0.00 0.00 179.01 181.50 1rlk h GLU 105 N 0.61 1.11 0.02 1.92 4.57 -1.92 0.10 114.58 120.99 1rlk h GLU 105 Ca 0.51 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1rlk h GLU 105 Cb 0.80 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1rlk h GLU 105 CO -0.40 0.77 -0.01 -0.22 -1.18 0.00 0.00 179.01 177.97 1rlk h LYS 106 N 1.12 -0.02 -0.60 1.92 3.64 -1.68 -2.96 116.57 118.00 1rlk h LYS 106 Ca 0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1rlk h LYS 106 Cb -0.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1rlk h LYS 106 CO -0.06 0.20 0.28 -0.07 -2.27 0.00 0.00 179.45 177.54 1rlk h LEU 107 N -0.24 0.76 -1.51 5.20 3.38 -0.96 -2.12 115.31 119.82 1rlk h LEU 107 Ca -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1rlk h LEU 107 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1rlk h LEU 107 CO 0.00 0.65 -0.25 0.44 0.09 0.00 0.00 178.44 179.37 1rlk h ASP 108 N 0.84 0.00 -0.08 -0.43 3.32 -0.75 -1.29 116.42 118.03 1rlk h ASP 108 Ca 0.21 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1rlk h ASP 108 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1rlk h ASP 108 CO -0.03 0.25 0.11 0.11 -1.72 0.00 0.00 179.24 177.96 1rlk h LYS 109 N 0.00 0.00 0.00 3.56 1.57 -1.21 -1.32 116.57 119.18 1rlk h LYS 109 Ca -0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1rlk h LYS 109 Cb 0.52 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 1rlk h LYS 109 CO 0.03 0.00 -2.51 -0.89 -0.57 0.00 0.00 179.45 175.51 1rlk n ILE 110 N -3.64 1.49 0.55 1.86 5.41 -0.56 -4.80 119.36 119.68 1rlk n ILE 110 Ca -0.01 -0.41 0.06 0.00 1.00 0.00 0.00 62.75 63.39 1rlk n ILE 110 Cb 0.21 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.32 1rlk n ILE 110 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1rlk n THR 111 N -4.06 0.00 0.21 1.39 -2.24 -0.79 -4.68 114.28 104.11 1rlk n THR 111 Ca -0.52 -0.31 0.18 0.00 -2.27 0.00 0.00 64.05 61.12 1rlk n THR 111 Cb 0.90 1.09 0.84 0.00 -2.10 0.00 0.00 70.33 71.06 1rlk n THR 111 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rlk h GLY 112 N 2.71 0.00 2.00 3.38 0.00 -1.43 -1.80 103.07 107.93 1rlk h GLY 112 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1rlk h GLY 112 CO 0.00 0.00 -0.07 0.07 0.00 0.00 0.00 176.54 176.54 1rlk h LYS 113 N 0.00 0.00 -6.55 4.80 2.10 -1.83 -3.45 116.57 111.64 1rlk h LYS 113 Ca 0.09 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.22 1rlk h LYS 113 Cb 0.56 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.86 1rlk h LYS 113 CO -0.00 0.07 0.05 0.71 -2.00 0.00 0.00 179.45 178.28 1rlk s TYR 114 N -3.37 3.55 0.29 0.07 2.02 -0.68 -5.04 117.35 114.19 1rlk s TYR 114 Ca 0.04 1.24 -0.29 0.00 -0.37 0.00 0.00 57.07 57.69 1rlk s TYR 114 Cb 0.07 -2.52 -0.10 0.00 -0.40 0.00 0.00 41.96 39.01 1rlk s TYR 114 CO 0.64 0.29 1.37 0.15 -1.57 0.00 0.00 175.55 176.42 1rlk s LYS 115 N -2.29 4.31 0.47 -0.62 1.02 -1.26 -4.83 119.74 116.54 1rlk s LYS 115 Ca 0.45 2.25 -0.25 0.00 0.02 0.00 0.00 55.97 58.45 1rlk s LYS 115 Cb -0.14 -3.09 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 1rlk s LYS 115 CO 0.20 -0.30 1.41 1.28 -0.92 0.00 0.00 175.35 177.02 1rlk n LEU 116 N 1.51 5.10 0.00 3.17 4.77 -1.26 -0.47 117.00 129.82 1rlk n LEU 116 Ca 0.03 1.09 0.06 0.00 -0.03 0.00 0.00 56.01 57.16 1rlk n LEU 116 Cb 0.41 -1.59 0.34 0.00 -2.33 0.00 0.00 43.42 40.25 1rlk n LEU 116 CO 0.60 -0.27 0.56 -0.11 -1.33 0.00 0.00 177.39 176.84