#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icy s ASN -1 N 0.00 4.39 0.25 -3.46 3.04 -1.26 -4.87 114.94 113.03 3icy s ASN -1 Ca 0.00 2.56 -0.01 0.00 0.04 0.00 0.00 52.86 55.45 3icy s ASN -1 Cb 0.00 -2.61 0.30 0.00 -1.54 0.00 0.00 41.25 37.40 3icy s ASN -1 CO 0.00 -2.15 1.68 0.00 -3.04 0.00 0.00 177.10 173.60 3icy h ALA 0 N 0.23 1.00 -0.43 1.71 0.00 -2.01 -2.35 119.26 117.39 3icy h ALA 0 Ca -0.50 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3icy h ALA 0 Cb 1.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3icy h ALA 0 CO 0.52 0.59 0.28 1.49 0.00 0.00 0.00 179.25 182.13 3icy h GLU 1 N 0.56 0.58 -0.46 0.00 4.81 -1.98 -1.10 114.58 116.99 3icy h GLU 1 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3icy h GLU 1 Cb 0.68 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3icy h GLU 1 CO 0.05 0.40 0.22 0.93 -0.73 0.00 0.00 179.01 179.87 3icy h GLU 2 N 0.58 0.66 -0.47 1.92 5.08 -1.88 -0.21 114.58 120.26 3icy h GLU 2 Ca 0.16 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3icy h GLU 2 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3icy h GLU 2 CO -0.03 0.57 0.11 -0.07 -1.00 0.00 0.00 179.01 178.59 3icy h LEU 3 N 0.60 0.71 -0.76 1.33 3.38 -1.39 -2.65 115.31 116.52 3icy h LEU 3 Ca 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3icy h LEU 3 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3icy h LEU 3 CO -0.02 0.76 0.35 1.56 0.09 0.00 0.00 178.44 181.18 3icy h GLN 4 N 0.63 1.11 -0.14 1.13 4.20 -0.98 -1.34 115.11 119.71 3icy h GLN 4 Ca 0.15 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3icy h GLN 4 Cb 0.32 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3icy h GLN 4 CO 0.00 0.87 0.13 0.00 -0.67 0.00 0.00 178.83 179.16 3icy h ALA 5 N 1.18 1.91 -0.44 3.87 0.00 -0.80 0.52 119.26 125.49 3icy h ALA 5 Ca 0.26 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3icy h ALA 5 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3icy h ALA 5 CO -0.03 -0.20 0.30 -0.07 0.00 0.00 0.00 179.25 179.25 3icy h LEU 6 N 0.00 0.42 -3.34 0.00 3.38 -0.89 0.11 115.31 114.99 3icy h LEU 6 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3icy h LEU 6 Cb 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3icy h LEU 6 CO -0.00 0.29 0.00 1.33 0.09 0.00 0.00 178.44 180.15 3icy n VAL 7 N -4.48 2.34 -2.07 1.22 0.24 -0.51 -4.93 118.33 110.14 3icy n VAL 7 Ca 0.05 -1.58 -0.13 0.00 -2.04 0.00 0.00 64.34 60.63 3icy n VAL 7 Cb 0.15 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 3icy n VAL 7 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3icy n ASP 8 N 0.15 -4.28 -4.91 -1.34 2.03 0.02 -5.00 116.55 103.21 3icy n ASP 8 Ca 0.24 0.06 -0.28 0.00 0.52 0.00 0.00 54.79 55.33 3icy n ASP 8 Cb 0.98 -3.35 -0.03 0.00 -0.72 0.00 0.00 41.12 37.99 3icy n ASP 8 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3icy s ASN 9 N -2.49 6.41 0.22 1.67 -0.87 0.06 -4.95 114.94 115.00 3icy s ASN 9 Ca 0.00 0.59 0.09 0.00 -1.57 0.00 0.00 52.86 51.97 3icy s ASN 9 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 39.10 3icy s ASN 9 CO 0.00 -0.15 -0.03 0.27 -2.57 0.00 0.00 177.10 174.62 3icy s ILE 10 N -2.03 3.42 0.23 0.60 -4.36 -1.26 -3.41 121.20 114.39 3icy s ILE 10 Ca 0.42 -1.75 -0.32 0.00 -0.26 0.00 0.00 60.65 58.74 3icy s ILE 10 Cb -0.11 -2.77 -0.12 0.00 1.25 0.00 0.00 42.46 40.71 3icy s ILE 10 CO 0.30 -0.25 1.65 -2.65 0.24 0.00 0.00 174.94 174.23 3icy n PRO 11 N -0.48 2.62 -3.65 0.37 -0.02 -1.26 -4.98 135.00 127.61 3icy n PRO 11 Ca -0.08 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.19 3icy n PRO 11 Cb 0.57 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 3icy n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3icy s ALA 12 N 0.74 -1.33 -0.16 3.55 0.00 -1.26 -5.15 121.76 118.15 3icy s ALA 12 Ca 0.72 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.75 3icy s ALA 12 Cb -0.54 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3icy s ALA 12 CO 0.38 -0.30 -0.17 0.00 0.00 0.00 0.00 175.76 175.68 3icy s ALA 13 N -0.79 2.07 0.17 0.00 0.00 -1.26 -5.11 121.76 116.83 3icy s ALA 13 Ca -0.09 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.60 3icy s ALA 13 Cb -0.03 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 3icy s ALA 13 CO 0.05 -0.37 0.73 0.42 0.00 0.00 0.00 175.76 176.59 3icy s ILE 14 N 1.40 4.48 0.07 0.00 1.01 -1.26 -5.02 121.20 121.88 3icy s ILE 14 Ca 0.05 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.13 3icy s ILE 14 Cb -0.13 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 3icy s ILE 14 CO -0.12 0.43 0.14 -0.72 0.00 0.00 0.00 174.94 174.68 3icy s TYR 15 N -1.26 0.20 -0.12 3.97 -0.85 -1.26 -1.02 117.35 117.02 3icy s TYR 15 Ca 0.37 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 3icy s TYR 15 Cb -0.21 -0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.03 3icy s TYR 15 CO 0.23 -0.48 -0.18 -1.58 -1.52 0.00 0.00 175.55 172.02 3icy s HIS 16 N -3.56 2.22 -0.53 -3.49 5.65 -0.23 -4.92 115.29 110.43 3icy s HIS 16 Ca 0.03 -1.05 -0.12 0.00 0.25 0.00 0.00 55.06 54.16 3icy s HIS 16 Cb 0.04 -1.55 0.13 0.00 -1.18 0.00 0.00 32.58 30.02 3icy s HIS 16 CO -0.09 -0.51 0.44 -1.17 -0.65 0.00 0.00 174.74 172.77 3icy s LEU 17 N 0.86 5.98 0.00 8.88 2.96 -1.26 -1.51 118.68 134.60 3icy s LEU 17 Ca -0.08 -1.92 -0.09 0.00 -0.22 0.00 0.00 54.13 51.81 3icy s LEU 17 Cb -0.15 -2.11 0.14 0.00 0.50 0.00 0.00 46.19 44.57 3icy s LEU 17 CO -0.01 -0.76 0.37 -0.90 -1.32 0.00 0.00 176.35 173.74 3icy n ASP 18 N 4.98 -2.46 -0.04 3.68 5.68 -0.57 -4.81 116.55 123.01 3icy n ASP 18 Ca -0.09 -0.47 0.15 0.00 -0.50 0.00 0.00 54.79 53.88 3icy n ASP 18 Cb 0.41 -0.40 0.86 0.00 -1.14 0.00 0.00 41.12 40.86 3icy n ASP 18 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3icy n VAL 19 N -3.93 0.00 -0.38 2.12 0.24 -1.26 -2.66 118.33 112.46 3icy n VAL 19 Ca 0.06 -0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.38 3icy n VAL 19 Cb 0.24 -0.40 0.09 0.00 -1.47 0.00 0.00 33.84 32.30 3icy n VAL 19 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3icy n SER 20 N -0.88 2.51 0.00 -1.34 3.41 -1.26 -5.00 113.62 111.05 3icy n SER 20 Ca 0.22 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3icy n SER 20 Cb 0.12 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3icy n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3icy n GLY 21 N -0.46 0.47 3.61 5.00 0.00 -1.09 -5.03 105.19 107.70 3icy n GLY 21 Ca 0.08 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3icy n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3icy s GLN 22 N -1.34 4.03 -0.22 1.61 0.74 -1.26 -4.88 119.66 118.34 3icy s GLN 22 Ca 0.00 0.02 -0.13 0.00 0.05 0.00 0.00 55.36 55.30 3icy s GLN 22 Cb 0.00 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 3icy s GLN 22 CO 0.00 -0.22 0.26 0.00 -0.55 0.00 0.00 175.29 174.78 3icy s ALA 23 N 1.90 3.59 0.22 1.58 0.00 -1.26 -1.51 121.76 126.28 3icy s ALA 23 Ca 0.14 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.47 3icy s ALA 23 Cb -0.16 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 3icy s ALA 23 CO 0.09 -0.24 -0.19 0.95 0.00 0.00 0.00 175.76 176.37 3icy s THR 24 N 1.17 2.14 -0.07 0.00 -4.23 -0.57 -4.96 115.64 109.12 3icy s THR 24 Ca 0.12 -2.18 -0.19 0.00 -1.18 0.00 0.00 61.69 58.27 3icy s THR 24 Cb -0.14 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 3icy s THR 24 CO 0.06 -0.37 0.51 -0.63 -0.54 0.00 0.00 174.62 173.65 3icy s ILE 25 N -2.34 5.09 -0.41 2.99 1.01 -1.26 -1.07 121.20 125.21 3icy s ILE 25 Ca 0.23 1.05 -0.14 0.00 0.00 0.00 0.00 60.65 61.79 3icy s ILE 25 Cb -0.05 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.61 3icy s ILE 25 CO 0.10 0.37 0.29 -0.13 0.00 0.00 0.00 174.94 175.57 3icy s ARG 26 N 0.26 2.92 -0.33 2.79 0.52 -0.19 -4.96 118.95 119.95 3icy s ARG 26 Ca 0.28 -1.11 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 3icy s ARG 26 Cb -0.16 -3.94 -0.02 0.00 0.52 0.00 0.00 34.95 31.35 3icy s ARG 26 CO 0.13 -0.79 0.34 -0.06 0.02 0.00 0.00 175.30 174.93 3icy s PHE 27 N 1.63 3.21 0.01 -0.53 0.08 -1.26 -4.68 117.98 116.45 3icy s PHE 27 Ca 0.04 -0.01 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 3icy s PHE 27 Cb -0.20 -2.63 -0.00 0.00 -0.57 0.00 0.00 43.02 39.62 3icy s PHE 27 CO 0.08 -0.40 0.13 1.03 -0.10 0.00 0.00 175.22 175.97 3icy s ARG 28 N 1.97 0.53 0.88 0.44 1.81 -1.26 -5.16 118.95 118.16 3icy s ARG 28 Ca 0.11 -0.50 -0.10 0.00 -1.72 0.00 0.00 55.73 53.51 3icy s ARG 28 Cb -0.17 0.22 0.12 0.00 -0.45 0.00 0.00 34.95 34.67 3icy s ARG 28 CO 0.11 -0.13 1.12 -2.14 -0.68 0.00 0.00 175.30 173.59 3icy s PRO 29 N -1.78 1.36 0.45 3.54 0.02 -1.26 -4.99 135.00 132.33 3icy s PRO 29 Ca -0.12 1.38 -0.23 0.00 0.02 0.00 0.00 61.00 62.05 3icy s PRO 29 Cb -0.06 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 3icy s PRO 29 CO -0.00 -2.34 1.16 -2.14 -0.33 0.00 0.00 177.00 173.35 3icy s PRO 30 N -4.74 3.82 0.49 5.54 0.02 -1.26 -4.83 135.00 134.04 3icy s PRO 30 Ca 0.65 1.78 0.36 0.00 0.02 0.00 0.00 61.00 63.80 3icy s PRO 30 Cb -0.21 -2.46 1.50 0.00 0.02 0.00 0.00 34.50 33.35 3icy s PRO 30 CO 0.58 -0.50 1.68 0.00 -0.33 0.00 0.00 177.00 178.43 3icy h ALA 31 N 2.16 3.07 0.00 -1.55 0.00 -2.00 0.42 119.26 121.36 3icy h ALA 31 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3icy h ALA 31 Cb 1.24 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3icy h ALA 31 CO 0.61 -1.56 0.00 1.97 0.00 0.00 0.00 179.25 180.26 3icy n PHE 32 N -4.35 0.00 0.32 0.00 -1.74 -1.26 -2.02 117.46 108.41 3icy n PHE 32 Ca 0.34 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 57.27 3icy n PHE 32 Cb 1.45 -0.42 0.01 0.00 1.52 0.00 0.00 39.48 42.03 3icy n PHE 32 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3icy n LEU 33 N -1.42 1.13 -0.32 5.98 4.32 0.14 -4.77 117.00 122.06 3icy n LEU 33 Ca 0.07 -0.81 0.14 0.00 -0.02 0.00 0.00 56.01 55.39 3icy n LEU 33 Cb 0.23 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.32 3icy n LEU 33 CO 0.19 0.23 0.86 0.50 -1.22 0.00 0.00 177.39 177.95 3icy h LYS 34 N 0.92 0.07 -0.03 3.23 3.64 -1.05 -0.36 116.57 123.00 3icy h LYS 34 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3icy h LYS 34 Cb 0.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3icy h LYS 34 CO 0.00 0.04 -0.11 0.25 -2.27 0.00 0.00 179.45 177.36 3icy n THR 35 N -5.39 0.00 -0.05 1.00 -2.24 -1.26 -4.31 114.28 102.02 3icy n THR 35 Ca 0.23 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3icy n THR 35 Cb 0.74 1.43 -0.14 0.00 -2.10 0.00 0.00 70.33 70.26 3icy n THR 35 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3icy n LEU 36 N 0.99 1.39 -4.85 3.22 7.99 -0.21 -4.68 117.00 120.86 3icy n LEU 36 Ca 0.13 0.17 -0.32 0.00 -0.01 0.00 0.00 56.01 55.98 3icy n LEU 36 Cb 0.55 -0.21 -0.03 0.00 -0.11 0.00 0.00 43.42 43.63 3icy n LEU 36 CO 0.18 0.61 0.69 0.68 -1.51 0.00 0.00 177.39 178.04 3icy s VAL 37 N -2.55 4.54 -0.30 4.08 -7.23 -0.81 -4.74 120.40 113.39 3icy s VAL 37 Ca -0.15 1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 61.16 3icy s VAL 37 Cb 0.07 -3.74 0.06 0.00 0.56 0.00 0.00 36.38 33.34 3icy s VAL 37 CO 0.78 -0.76 -0.00 -0.44 -0.31 0.00 0.00 175.10 174.36 3icy s SER 38 N -3.25 4.82 -0.20 4.85 0.01 -0.88 -4.99 113.70 114.06 3icy s SER 38 Ca 0.58 -1.42 -0.17 0.00 1.31 0.00 0.00 55.95 56.26 3icy s SER 38 Cb -0.10 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 3icy s SER 38 CO 0.35 -0.28 0.45 -1.83 0.41 0.00 0.00 173.24 172.35 3icy s GLU 39 N 1.19 4.17 -0.10 12.44 1.03 -1.26 -1.38 118.70 134.80 3icy s GLU 39 Ca -0.04 0.29 -0.07 0.00 0.03 0.00 0.00 54.97 55.18 3icy s GLU 39 Cb -0.20 -3.55 0.04 0.00 -0.80 0.00 0.00 34.13 29.61 3icy s GLU 39 CO -0.03 -0.10 0.25 -1.58 -1.33 0.00 0.00 175.26 172.48 3icy s HIS 40 N 1.49 -0.31 -1.40 4.83 2.46 -0.64 -4.99 115.29 116.74 3icy s HIS 40 Ca 0.21 0.73 -0.09 0.00 0.47 0.00 0.00 55.06 56.39 3icy s HIS 40 Cb -0.15 0.08 0.01 0.00 -0.13 0.00 0.00 32.58 32.39 3icy s HIS 40 CO 0.09 -0.18 0.16 0.00 -2.47 0.00 0.00 174.74 172.34 3icy n ALA 41 N 3.57 -2.11 -0.53 1.58 0.00 -1.26 -0.28 120.51 121.47 3icy n ALA 41 Ca -0.19 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3icy n ALA 41 Cb 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3icy n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3icy n GLY 42 N -2.40 1.32 3.27 0.00 0.00 -1.26 -5.02 105.19 101.10 3icy n GLY 42 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3icy n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icy s THR 43 N -3.30 2.16 -0.44 2.61 2.01 0.62 -5.08 115.64 114.21 3icy s THR 43 Ca 0.00 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 3icy s THR 43 Cb 0.00 -1.81 0.11 0.00 0.01 0.00 0.00 72.50 70.81 3icy s THR 43 CO 0.00 0.57 0.29 -0.89 -0.69 0.00 0.00 174.62 173.89 3icy s THR 44 N -0.01 3.97 0.56 -0.82 2.01 -1.26 -1.61 115.64 118.47 3icy s THR 44 Ca -0.08 -1.77 -0.07 0.00 0.31 0.00 0.00 61.69 60.08 3icy s THR 44 Cb -0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 3icy s THR 44 CO 0.05 -0.69 0.89 -0.13 -0.69 0.00 0.00 174.62 174.06 3icy s ARG 45 N 1.32 3.34 -0.24 4.92 0.52 -0.48 -4.90 118.95 123.43 3icy s ARG 45 Ca 0.06 0.29 -0.03 0.00 -0.52 0.00 0.00 55.73 55.53 3icy s ARG 45 Cb -0.25 -2.26 0.13 0.00 0.52 0.00 0.00 34.95 33.10 3icy s ARG 45 CO -0.01 -0.48 0.37 -1.17 0.02 0.00 0.00 175.30 174.03 3icy s LEU 46 N -4.95 -0.60 -1.00 2.53 2.96 -1.26 -2.07 118.68 114.29 3icy s LEU 46 Ca 0.52 0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 3icy s LEU 46 Cb -0.11 1.07 0.11 0.00 0.50 0.00 0.00 46.19 47.76 3icy s LEU 46 CO 0.48 -0.30 1.28 0.20 -1.32 0.00 0.00 176.35 176.68 3icy s ASN 47 N 2.53 6.66 0.48 3.68 -0.87 -1.26 -4.84 114.94 121.31 3icy s ASN 47 Ca 0.12 -2.02 0.21 0.00 -1.57 0.00 0.00 52.86 49.60 3icy s ASN 47 Cb -0.15 -2.45 1.20 0.00 -0.02 0.00 0.00 41.25 39.82 3icy s ASN 47 CO -0.16 -1.15 2.01 0.71 -2.57 0.00 0.00 177.10 175.94 3icy h THR 48 N 5.94 0.85 0.00 1.60 1.35 -1.99 -1.58 112.91 119.09 3icy h THR 48 Ca 0.20 -0.66 -0.18 0.00 -0.55 0.00 0.00 66.41 65.22 3icy h THR 48 Cb 1.00 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 3icy h THR 48 CO 1.22 0.17 -0.86 -0.07 -0.25 0.00 0.00 175.52 175.73 3icy h LEU 49 N 0.00 0.00 -0.86 3.87 4.07 -1.99 -2.61 115.31 117.80 3icy h LEU 49 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3icy h LEU 49 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3icy h LEU 49 CO 0.02 0.86 0.00 -1.20 -1.08 0.00 0.00 178.44 177.05 3icy n SER 50 N -3.35 0.52 -1.08 -0.43 7.64 -0.59 -4.94 113.62 111.39 3icy n SER 50 Ca 0.00 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.68 3icy n SER 50 Cb 0.87 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 3icy n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3icy n ILE 52 N 0.10 0.00 -1.59 0.44 3.06 -0.98 -4.95 119.36 115.44 3icy n ILE 52 Ca 0.00 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.82 3icy n ILE 52 Cb 0.13 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.30 3icy n ILE 52 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 3icy n HIS 53 N 0.18 1.14 -0.21 9.51 -0.00 -0.70 -4.71 115.22 120.42 3icy n HIS 53 Ca 0.00 0.64 0.24 0.00 -0.00 0.00 0.00 57.72 58.60 3icy n HIS 53 Cb 0.00 -2.23 0.61 0.00 -0.00 0.00 0.00 29.99 28.37 3icy n HIS 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3icy h HIS 54 N 1.77 0.29 0.00 1.57 -0.00 -1.95 -1.19 115.15 115.64 3icy h HIS 54 Ca -0.41 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3icy h HIS 54 Cb 1.34 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.66 3icy h HIS 54 CO 0.45 0.07 -0.38 -0.44 -0.00 0.00 0.00 177.93 177.63 3icy h ASP 55 N 0.21 0.00 0.62 2.45 3.32 -1.98 -3.23 116.42 117.81 3icy h ASP 55 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3icy h ASP 55 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3icy h ASP 55 CO -0.10 0.01 -0.94 0.47 -1.72 0.00 0.00 179.24 176.96 3icy n ASP 56 N -2.95 0.65 -0.32 6.45 8.00 -0.48 -4.51 116.55 123.39 3icy n ASP 56 Ca 0.02 -0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.60 3icy n ASP 56 Cb 0.54 0.60 0.32 0.00 -0.02 0.00 0.00 41.12 42.57 3icy n ASP 56 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3icy h ARG 57 N 0.00 0.79 -1.52 -1.24 2.43 -1.50 -3.20 114.38 110.15 3icy h ARG 57 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3icy h ARG 57 Cb 0.78 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3icy h ARG 57 CO 0.00 0.52 0.00 -2.39 -1.51 0.00 0.00 179.97 176.59 3icy n HIS 58 N -4.62 0.00 0.00 2.20 1.44 -1.26 -1.68 115.22 111.30 3icy n HIS 58 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 3icy n HIS 58 Cb 0.46 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.50 3icy n HIS 58 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3icy n LEU 60 N 0.83 0.00 -0.23 2.39 4.77 -1.21 -1.19 117.00 122.36 3icy n LEU 60 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3icy n LEU 60 Cb 0.00 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 3icy n LEU 60 CO 0.00 0.00 0.49 -1.20 -1.33 0.00 0.00 177.39 175.35 3icy n SER 61 N 0.00 -0.13 0.03 -1.43 7.64 -0.67 -0.05 113.62 119.00 3icy n SER 61 Ca 0.00 1.10 -0.19 0.00 1.01 0.00 0.00 58.87 60.80 3icy n SER 61 Cb 0.00 -0.38 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 3icy n SER 61 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3icy h ASN 62 N 0.00 0.65 -0.35 6.43 -1.24 -1.41 -2.50 115.58 117.16 3icy h ASN 62 Ca 0.36 -0.78 0.07 0.00 0.71 0.00 0.00 56.30 56.66 3icy h ASN 62 Cb 0.69 -0.20 -0.09 0.00 0.73 0.00 0.00 38.32 39.46 3icy h ASN 62 CO -0.63 1.36 -0.34 0.00 -1.29 0.00 0.00 177.43 176.52 3icy h ALA 63 N 0.31 -0.26 -0.55 1.57 0.00 -0.70 -1.05 119.26 118.58 3icy h ALA 63 Ca -0.11 0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.99 3icy h ALA 63 Cb 1.50 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 19.92 3icy h ALA 63 CO 0.16 -0.76 0.00 1.88 0.00 0.00 0.00 179.25 180.53 3icy h TYR 64 N -0.29 -0.03 -0.48 0.00 0.05 -0.65 0.40 116.97 115.98 3icy h TYR 64 Ca 0.15 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 3icy h TYR 64 Cb 0.55 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 3icy h TYR 64 CO -0.53 -0.13 -0.01 0.77 -1.05 0.00 0.00 178.16 177.21 3icy h SER 65 N 0.12 0.76 0.15 3.88 0.02 -0.97 -0.75 113.55 116.76 3icy h SER 65 Ca 0.28 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 3icy h SER 65 Cb 0.44 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3icy h SER 65 CO -0.46 0.83 -0.51 0.11 -1.14 0.00 0.00 176.83 175.66 3icy h LYS 66 N 0.74 0.41 0.00 3.45 6.56 -0.09 -2.53 116.57 125.11 3icy h LYS 66 Ca 0.14 -0.24 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 3icy h LYS 66 Cb 0.46 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.14 3icy h LYS 66 CO 0.02 0.83 -0.18 -0.07 -2.06 0.00 0.00 179.45 177.98 3icy h LEU 67 N 0.32 0.00 -0.68 2.94 4.07 -0.67 -2.80 115.31 118.49 3icy h LEU 67 Ca 0.01 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 3icy h LEU 67 Cb 1.01 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 3icy h LEU 67 CO 0.09 0.18 -0.13 0.03 -1.08 0.00 0.00 178.44 177.54 3icy h ARG 68 N 0.00 0.89 0.00 1.13 2.47 -0.90 -3.24 114.38 114.73 3icy h ARG 68 Ca -0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 3icy h ARG 68 Cb 1.14 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3icy h ARG 68 CO 0.02 0.97 -0.60 -0.85 0.56 0.00 0.00 179.97 180.07 3icy n GLU 69 N -4.15 0.21 -3.56 0.04 0.28 -0.97 -4.77 120.64 107.72 3icy n GLU 69 Ca 0.01 0.06 -0.08 0.00 -0.16 0.00 0.00 57.16 56.99 3icy n GLU 69 Cb 0.39 -1.63 -0.02 0.00 1.43 0.00 0.00 31.44 31.62 3icy n GLU 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3icy s ALA 70 N -3.12 -1.70 -0.17 -1.84 0.00 -1.07 -5.10 121.76 108.76 3icy s ALA 70 Ca 0.07 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 3icy s ALA 70 Cb 0.15 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 3icy s ALA 70 CO 0.71 -0.80 1.60 0.21 0.00 0.00 0.00 175.76 177.48 3icy s LYS 71 N -3.34 3.94 -0.03 0.00 2.20 -1.26 -4.36 119.74 116.87 3icy s LYS 71 Ca 0.06 1.81 -0.04 0.00 -0.36 0.00 0.00 55.97 57.44 3icy s LYS 71 Cb -0.01 -4.00 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 3icy s LYS 71 CO -0.07 -1.12 0.12 -1.01 -0.36 0.00 0.00 175.35 172.91 3icy s HIS 72 N 4.75 -0.08 -0.03 4.03 3.76 -1.26 -4.98 115.29 121.48 3icy s HIS 72 Ca 0.71 0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.82 3icy s HIS 72 Cb -0.27 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 3icy s HIS 72 CO 0.28 -0.11 0.04 -1.12 -0.85 0.00 0.00 174.74 172.98 3icy s SER 73 N -0.25 5.43 -0.14 1.40 0.01 -1.26 -1.86 113.70 117.02 3icy s SER 73 Ca -0.03 0.11 -0.21 0.00 1.31 0.00 0.00 55.95 57.13 3icy s SER 73 Cb -0.02 -1.52 0.05 0.00 0.21 0.00 0.00 66.02 64.74 3icy s SER 73 CO 0.00 0.31 0.55 -0.22 0.41 0.00 0.00 173.24 174.29 3icy s LEU 74 N -1.43 -0.09 -0.16 2.44 2.96 -1.26 -5.01 118.68 116.13 3icy s LEU 74 Ca 0.19 0.86 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3icy s LEU 74 Cb -0.12 1.95 0.03 0.00 0.50 0.00 0.00 46.19 48.55 3icy s LEU 74 CO 0.09 -0.33 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.76 3icy s THR 75 N -0.32 1.65 0.04 3.68 2.01 -1.26 -4.29 115.64 117.14 3icy s THR 75 Ca -0.05 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.27 3icy s THR 75 Cb -0.03 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3icy s THR 75 CO 0.03 0.42 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.49 3icy s LEU 76 N 1.44 2.86 -0.14 4.42 1.43 -0.01 -4.96 118.68 123.72 3icy s LEU 76 Ca 0.04 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3icy s LEU 76 Cb -0.13 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3icy s LEU 76 CO -0.11 0.25 -0.16 -0.69 0.23 0.00 0.00 176.35 175.88 3icy s VAL 77 N -0.99 2.69 0.30 -1.59 1.01 -1.26 -0.50 120.40 120.06 3icy s VAL 77 Ca 0.16 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 3icy s VAL 77 Cb -0.11 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3icy s VAL 77 CO 0.07 0.52 0.62 -0.72 0.00 0.00 0.00 175.10 175.60 3icy s TYR 78 N 0.61 0.24 0.09 5.22 -0.85 -0.75 -4.99 117.35 116.93 3icy s TYR 78 Ca -0.09 -0.69 -0.06 0.00 -0.52 0.00 0.00 57.07 55.72 3icy s TYR 78 Cb -0.16 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.58 3icy s TYR 78 CO 0.03 -1.22 0.33 1.03 -1.52 0.00 0.00 175.55 174.21 3icy s ARG 79 N -3.46 3.62 0.12 -3.49 0.52 -1.26 -0.24 118.95 114.75 3icy s ARG 79 Ca 0.19 -0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.38 3icy s ARG 79 Cb -0.03 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3icy s ARG 79 CO 0.11 0.55 -0.13 0.96 0.02 0.00 0.00 175.30 176.80 3icy s ILE 80 N -1.50 1.28 -0.04 1.52 -4.36 0.17 -1.72 121.20 116.55 3icy s ILE 80 Ca 0.35 -1.76 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 3icy s ILE 80 Cb -0.13 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 42.04 3icy s ILE 80 CO 0.21 -0.47 -0.09 -0.69 0.24 0.00 0.00 174.94 174.14 3icy s VAL 81 N -2.31 0.84 0.77 8.37 1.01 -1.26 -0.61 120.40 127.22 3icy s VAL 81 Ca 0.10 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 3icy s VAL 81 Cb -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.63 3icy s VAL 81 CO 0.03 0.28 1.13 0.42 0.00 0.00 0.00 175.10 176.95 3icy s THR 82 N 0.50 2.25 -0.33 3.92 -4.23 -0.10 -4.82 115.64 112.84 3icy s THR 82 Ca -0.09 -0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.68 3icy s THR 82 Cb -0.12 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 70.93 3icy s THR 82 CO 0.01 -0.08 1.77 -0.65 -0.54 0.00 0.00 174.62 175.13 3icy h PRO 83 N -0.90 0.00 -0.01 3.99 0.11 -1.91 -0.70 132.00 132.58 3icy h PRO 83 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3icy h PRO 83 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3icy h PRO 83 CO 0.65 0.00 -0.12 0.39 -0.21 0.00 0.00 178.00 178.71 3icy n GLU 84 N -2.40 1.13 -0.46 1.05 4.71 -1.26 -4.95 120.64 118.46 3icy n GLU 84 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.16 56.57 3icy n GLU 84 Cb 0.22 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3icy n GLU 84 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3icy n GLY 85 N 1.25 0.74 3.78 0.62 0.00 -0.27 -5.06 105.19 106.24 3icy n GLY 85 Ca 0.16 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3icy n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3icy s LYS 86 N -0.79 4.06 -0.02 1.61 2.20 -1.26 -4.81 119.74 120.74 3icy s LYS 86 Ca 0.00 0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.81 3icy s LYS 86 Cb 0.00 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3icy s LYS 86 CO 0.00 0.45 0.24 -1.17 -0.36 0.00 0.00 175.35 174.51 3icy s LEU 87 N -0.25 4.38 -0.01 5.43 2.96 -1.26 -0.92 118.68 129.01 3icy s LEU 87 Ca 0.21 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 3icy s LEU 87 Cb -0.15 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 3icy s LEU 87 CO 0.09 0.29 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.35 3icy s HIS 88 N -1.24 0.54 -0.17 5.38 3.76 0.22 -4.98 115.29 118.81 3icy s HIS 88 Ca 0.25 -0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 54.86 3icy s HIS 88 Cb -0.13 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 3icy s HIS 88 CO 0.14 -0.02 0.56 -1.58 -0.85 0.00 0.00 174.74 172.99 3icy s TRP 89 N -0.06 3.42 0.21 1.40 0.52 -1.26 -0.66 118.94 122.51 3icy s TRP 89 Ca 0.01 0.89 0.09 0.00 0.02 0.00 0.00 56.10 57.11 3icy s TRP 89 Cb -0.03 -2.69 -0.05 0.00 -1.15 0.00 0.00 33.47 29.55 3icy s TRP 89 CO -0.00 -0.05 -0.18 0.96 0.02 0.00 0.00 176.95 177.70 3icy s ILE 90 N 1.42 2.01 -0.13 2.03 -5.25 0.66 -0.27 121.20 121.68 3icy s ILE 90 Ca 0.27 -2.15 0.00 0.00 -0.99 0.00 0.00 60.65 57.78 3icy s ILE 90 Cb -0.16 -2.05 -0.01 0.00 2.95 0.00 0.00 42.46 43.19 3icy s ILE 90 CO 0.11 -0.41 -0.14 -0.70 -1.79 0.00 0.00 174.94 172.01 3icy s GLU 91 N -3.25 3.35 -0.24 0.37 2.12 0.21 -1.80 118.70 119.46 3icy s GLU 91 Ca 0.22 -0.70 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 3icy s GLU 91 Cb -0.04 -2.62 0.07 0.00 0.26 0.00 0.00 34.13 31.80 3icy s GLU 91 CO 0.09 0.19 -0.01 0.34 -0.54 0.00 0.00 175.26 175.33 3icy s ASP 92 N 0.41 3.71 0.38 -1.70 -1.08 0.35 -1.34 116.67 117.40 3icy s ASP 92 Ca -0.11 -1.21 0.03 0.00 -0.52 0.00 0.00 52.55 50.74 3icy s ASP 92 Cb -0.16 -1.02 -0.01 0.00 -1.46 0.00 0.00 42.92 40.26 3icy s ASP 92 CO 0.05 -0.29 0.55 -1.00 0.52 0.00 0.00 175.17 175.01 3icy s HIS 93 N 1.51 3.23 -0.30 -5.34 3.76 -0.80 -0.83 115.29 116.51 3icy s HIS 93 Ca -0.02 0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.77 3icy s HIS 93 Cb -0.18 -2.08 0.21 0.00 1.11 0.00 0.00 32.58 31.64 3icy s HIS 93 CO -0.09 -0.10 1.30 1.03 -0.85 0.00 0.00 174.74 176.02 3icy s ARG 95 N -4.33 0.04 0.28 1.40 0.52 -0.09 -1.04 118.95 115.73 3icy s ARG 95 Ca 0.45 0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.61 3icy s ARG 95 Cb -0.10 0.01 -0.08 0.00 0.52 0.00 0.00 34.95 35.31 3icy s ARG 95 CO 0.34 -0.01 0.63 -1.54 0.02 0.00 0.00 175.30 174.75 3icy s SER 96 N 0.86 6.65 0.13 0.23 1.04 -0.78 -1.10 113.70 120.74 3icy s SER 96 Ca -0.05 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.47 3icy s SER 96 Cb -0.03 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 3icy s SER 96 CO -0.11 -0.16 -0.11 -0.94 0.98 0.00 0.00 173.24 172.91 3icy s SER 97 N -2.47 1.73 -0.01 7.02 1.04 -0.51 -4.35 113.70 116.15 3icy s SER 97 Ca 0.50 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 3icy s SER 97 Cb -0.11 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.00 3icy s SER 97 CO 0.22 -0.29 0.03 -0.36 0.98 0.00 0.00 173.24 173.82 3icy s PHE 98 N -2.92 -0.03 1.05 5.02 0.08 -1.26 -0.85 117.98 119.07 3icy s PHE 98 Ca 0.13 0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.15 3icy s PHE 98 Cb 0.00 -0.01 0.22 0.00 -0.57 0.00 0.00 43.02 42.66 3icy s PHE 98 CO 0.01 -0.02 1.09 -1.54 -0.10 0.00 0.00 175.22 174.65 3icy s SER 99 N 0.09 1.87 0.64 1.36 1.04 0.24 -4.85 113.70 114.09 3icy s SER 99 Ca -0.01 1.87 0.41 0.00 0.48 0.00 0.00 55.95 58.71 3icy s SER 99 Cb -0.01 -2.45 2.18 0.00 0.10 0.00 0.00 66.02 65.84 3icy s SER 99 CO -0.00 -3.70 2.30 0.44 0.98 0.00 0.00 173.24 173.25 3icy h ASP 100 N -2.28 0.00 0.04 7.02 5.19 -2.01 -0.69 116.42 123.69 3icy h ASP 100 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 3icy h ASP 100 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3icy h ASP 100 CO 0.45 0.01 -0.04 0.47 -3.12 0.00 0.00 179.24 177.01 3icy n ASP 101 N -3.20 1.24 0.00 6.45 8.00 -1.26 -4.90 116.55 122.88 3icy n ASP 101 Ca -0.02 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3icy n ASP 101 Cb 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3icy n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3icy n GLY 102 N 1.19 0.75 3.73 0.44 0.00 -0.26 -5.06 105.19 105.97 3icy n GLY 102 Ca 0.18 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3icy n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3icy s LEU 103 N 0.00 4.44 0.23 0.99 1.43 -1.25 -4.78 118.68 119.75 3icy s LEU 103 Ca 0.00 1.60 -0.31 0.00 -1.03 0.00 0.00 54.13 54.39 3icy s LEU 103 Cb 0.00 -3.42 -0.11 0.00 0.03 0.00 0.00 46.19 42.69 3icy s LEU 103 CO 0.00 -0.07 1.65 0.12 0.23 0.00 0.00 176.35 178.27 3icy s PHE 104 N 0.21 2.89 -0.06 0.29 5.36 -1.26 0.79 117.98 126.20 3icy s PHE 104 Ca 0.44 0.55 0.08 0.00 -0.96 0.00 0.00 56.93 57.04 3icy s PHE 104 Cb -0.21 -4.07 0.12 0.00 -0.34 0.00 0.00 43.02 38.52 3icy s PHE 104 CO 0.26 -3.88 1.01 -1.13 -1.46 0.00 0.00 175.22 170.01 3icy n SER 105 N 3.35 1.53 0.00 6.13 3.41 -0.03 -4.81 113.62 123.21 3icy n SER 105 Ca 0.13 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 3icy n SER 105 Cb 0.37 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3icy n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3icy n GLY 106 N -0.75 3.02 3.36 5.00 0.00 -1.25 -4.90 105.19 109.68 3icy n GLY 106 Ca 0.07 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 3icy n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icy s ILE 107 N -2.29 2.74 -0.11 -0.61 1.01 -1.26 -1.42 121.20 119.25 3icy s ILE 107 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3icy s ILE 107 Cb 0.00 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3icy s ILE 107 CO 0.00 0.56 -0.15 -1.81 0.00 0.00 0.00 174.94 173.53 3icy s ASP 108 N -0.08 3.83 0.24 3.58 1.01 -0.26 -4.94 116.67 120.05 3icy s ASP 108 Ca -0.04 -0.36 -0.03 0.00 0.71 0.00 0.00 52.55 52.83 3icy s ASP 108 Cb -0.14 -1.48 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 3icy s ASP 108 CO 0.04 0.18 0.26 -0.83 0.21 0.00 0.00 175.17 175.04 3icy s GLY 109 N 0.23 1.30 -0.01 0.21 0.00 -1.26 -0.91 107.32 106.88 3icy s GLY 109 Ca -0.10 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.11 3icy s GLY 109 CO 0.06 -1.18 -0.01 -1.50 0.00 0.00 0.00 173.10 170.47 3icy s ILE 110 N -3.96 0.14 -0.10 0.90 2.07 -0.21 -5.01 121.20 115.04 3icy s ILE 110 Ca 0.34 -0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.54 3icy s ILE 110 Cb 0.04 -0.15 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 3icy s ILE 110 CO 0.13 0.06 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.38 3icy s LEU 111 N 0.17 3.07 0.09 8.50 1.02 -1.26 -1.91 118.68 128.37 3icy s LEU 111 Ca -0.01 -0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.00 3icy s LEU 111 Cb -0.03 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 3icy s LEU 111 CO -0.00 0.28 0.06 0.00 0.02 0.00 0.00 176.35 176.70 3icy s GLU 113 N -3.97 3.78 -0.40 0.00 2.12 -1.26 0.66 118.70 119.63 3icy s GLU 113 Ca 0.14 0.24 -0.15 0.00 0.36 0.00 0.00 54.97 55.56 3icy s GLU 113 Cb 0.07 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.81 3icy s GLU 113 CO -0.05 0.33 0.29 0.08 -0.54 0.00 0.00 175.26 175.37 3icy s VAL 114 N -1.81 5.26 -2.43 3.70 1.01 0.63 -4.79 120.40 121.96 3icy s VAL 114 Ca 0.47 -0.57 0.19 0.00 0.00 0.00 0.00 61.98 62.07 3icy s VAL 114 Cb -0.11 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.53 3icy s VAL 114 CO 0.22 -0.26 1.12 0.35 0.00 0.00 0.00 175.10 176.52