#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic5 s TRP 3 N 0.00 3.37 -0.38 -1.55 0.52 0.11 -4.78 118.94 116.23 3ic5 s TRP 3 Ca 0.00 1.39 -0.15 0.00 0.02 0.00 0.00 56.10 57.36 3ic5 s TRP 3 Cb 0.00 -3.48 0.01 0.00 -1.15 0.00 0.00 33.47 28.85 3ic5 s TRP 3 CO 0.00 -1.37 0.35 1.21 0.02 0.00 0.00 176.95 177.15 3ic5 s ASN 4 N 0.08 6.14 -0.09 2.95 2.47 -1.26 -0.21 114.94 125.02 3ic5 s ASN 4 Ca 0.53 -0.58 0.02 0.00 0.42 0.00 0.00 52.86 53.26 3ic5 s ASN 4 Cb -0.34 -2.18 -0.02 0.00 -1.45 0.00 0.00 41.25 37.26 3ic5 s ASN 4 CO 0.38 -0.42 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.54 3ic5 s ILE 5 N 1.91 2.78 -0.29 -5.21 1.01 0.44 0.27 121.20 122.11 3ic5 s ILE 5 Ca 0.09 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3ic5 s ILE 5 Cb -0.18 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3ic5 s ILE 5 CO 0.12 0.55 0.11 0.00 0.00 0.00 0.00 174.94 175.72 3ic5 s VAL 7 N 1.57 4.91 -0.47 0.00 1.01 0.11 -1.22 120.40 126.32 3ic5 s VAL 7 Ca 0.04 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.98 3ic5 s VAL 7 Cb -0.17 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.25 3ic5 s VAL 7 CO 0.04 -0.09 0.46 -0.69 0.00 0.00 0.00 175.10 174.83 3ic5 s VAL 8 N 2.67 5.10 0.00 2.92 1.01 0.03 -0.20 120.40 131.93 3ic5 s VAL 8 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3ic5 s VAL 8 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3ic5 s VAL 8 CO 0.10 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.22 3ic5 n GLY 9 N 5.17 3.29 1.68 4.51 0.00 0.83 -0.09 105.19 120.58 3ic5 n GLY 9 Ca -0.10 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 3ic5 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic5 n ALA 10 N 0.00 4.55 -1.00 4.61 0.00 -1.26 -4.22 120.51 123.19 3ic5 n ALA 10 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.74 3ic5 n ALA 10 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3ic5 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic5 n GLY 11 N -0.72 -1.73 0.14 0.00 0.00 -1.26 -4.62 105.19 97.00 3ic5 n GLY 11 Ca 0.41 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 3ic5 n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ic5 h LYS 12 N 0.00 0.40 -0.84 1.61 1.63 -1.92 -0.58 116.57 116.86 3ic5 h LYS 12 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 3ic5 h LYS 12 Cb 0.00 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 3ic5 h LYS 12 CO 0.00 0.27 0.40 0.82 -3.45 0.00 0.00 179.45 177.49 3ic5 h ILE 13 N 0.41 1.26 -0.63 2.00 1.08 -1.91 -2.74 117.51 116.98 3ic5 h ILE 13 Ca 0.11 -0.74 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 3ic5 h ILE 13 Cb -0.05 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 33.86 3ic5 h ILE 13 CO -0.02 0.32 0.28 1.23 -0.69 0.00 0.00 178.15 179.26 3ic5 h GLY 14 N 1.21 1.00 -0.87 5.37 0.00 -1.55 0.16 103.07 108.39 3ic5 h GLY 14 Ca 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3ic5 h GLY 14 CO -0.04 0.49 0.00 -1.06 0.00 0.00 0.00 176.54 175.94 3ic5 n GLN 15 N -4.46 0.12 0.00 4.80 6.02 -0.29 -1.40 117.38 122.16 3ic5 n GLN 15 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3ic5 n GLN 15 Cb 0.15 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3ic5 n GLN 15 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 3ic5 n ILE 17 N 0.32 0.00 -0.04 5.09 0.13 0.55 -1.21 119.36 124.20 3ic5 n ILE 17 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 3ic5 n ILE 17 Cb 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.79 3ic5 n ILE 17 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ic5 h ALA 18 N 0.00 0.25 -0.61 1.51 0.00 -1.46 0.51 119.26 119.47 3ic5 h ALA 18 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ic5 h ALA 18 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3ic5 h ALA 18 CO 0.00 -0.27 0.35 0.00 0.00 0.00 0.00 179.25 179.33 3ic5 h ALA 19 N 1.08 0.80 -0.05 0.00 0.00 -1.42 0.24 119.26 119.91 3ic5 h ALA 19 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ic5 h ALA 19 Cb -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ic5 h ALA 19 CO -0.02 0.06 0.03 1.25 0.00 0.00 0.00 179.25 180.57 3ic5 h LEU 20 N 0.68 0.06 -0.62 0.00 6.46 -1.72 -2.77 115.31 117.40 3ic5 h LEU 20 Ca 0.26 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.87 3ic5 h LEU 20 Cb 0.09 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3ic5 h LEU 20 CO -0.13 0.07 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.46 3ic5 h LEU 21 N 0.05 0.87 -0.52 2.25 3.38 -0.54 -2.86 115.31 117.94 3ic5 h LEU 21 Ca 0.02 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3ic5 h LEU 21 Cb 0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3ic5 h LEU 21 CO -0.00 1.06 0.23 0.50 0.09 0.00 0.00 178.44 180.32 3ic5 h LYS 22 N 0.74 0.42 -0.04 1.13 3.64 -0.88 -0.94 116.57 120.64 3ic5 h LYS 22 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3ic5 h LYS 22 Cb 0.76 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3ic5 h LYS 22 CO 0.06 0.28 0.00 0.25 -2.27 0.00 0.00 179.45 177.77 3ic5 n THR 23 N -4.94 0.04 -1.25 1.00 -2.24 -1.05 -4.90 114.28 100.94 3ic5 n THR 23 Ca 0.05 -0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 3ic5 n THR 23 Cb 0.18 -0.04 0.21 0.00 -2.10 0.00 0.00 70.33 68.58 3ic5 n THR 23 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ic5 s SER 24 N -1.79 1.68 0.00 3.42 1.04 -0.36 -5.00 113.70 112.68 3ic5 s SER 24 Ca 0.37 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.64 3ic5 s SER 24 Cb 0.18 -1.00 0.04 0.00 0.10 0.00 0.00 66.02 65.33 3ic5 s SER 24 CO 0.30 -3.66 0.86 -1.20 0.98 0.00 0.00 173.24 170.51 3ic5 n SER 25 N -4.46 1.76 0.00 7.02 7.64 -1.26 -4.69 113.62 119.63 3ic5 n SER 25 Ca 0.12 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.61 3ic5 n SER 25 Cb 0.59 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 3ic5 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ic5 n ASN 26 N 0.17 0.20 -4.24 6.43 3.02 -1.26 -4.93 115.26 114.66 3ic5 n ASN 26 Ca 0.07 -0.56 -0.23 0.00 -0.03 0.00 0.00 54.58 53.82 3ic5 n ASN 26 Cb 0.33 0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 39.65 3ic5 n ASN 26 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ic5 s TYR 27 N -0.28 1.65 0.07 3.10 1.51 -1.26 0.10 117.35 122.24 3ic5 s TYR 27 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 3ic5 s TYR 27 Cb 0.00 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3ic5 s TYR 27 CO 0.00 0.12 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.23 3ic5 s SER 28 N -1.47 3.64 -0.02 2.29 0.01 0.70 -4.72 113.70 114.14 3ic5 s SER 28 Ca 0.05 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.81 3ic5 s SER 28 Cb -0.09 -0.48 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 3ic5 s SER 28 CO 0.03 0.23 -0.11 0.54 0.41 0.00 0.00 173.24 174.34 3ic5 s VAL 29 N -0.97 0.88 -0.02 3.43 0.11 -1.26 -0.42 120.40 122.15 3ic5 s VAL 29 Ca 0.15 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 3ic5 s VAL 29 Cb -0.10 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3ic5 s VAL 29 CO 0.06 0.26 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.97 3ic5 s THR 30 N -0.11 1.80 -0.22 5.04 2.01 0.02 -4.26 115.64 119.92 3ic5 s THR 30 Ca 0.02 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 3ic5 s THR 30 Cb -0.06 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3ic5 s THR 30 CO -0.00 0.51 0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 3ic5 s VAL 31 N -0.50 4.29 -0.13 3.82 1.01 0.24 0.08 120.40 129.21 3ic5 s VAL 31 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 3ic5 s VAL 31 Cb -0.09 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3ic5 s VAL 31 CO -0.01 0.39 0.01 0.00 0.00 0.00 0.00 175.10 175.49 3ic5 s ALA 32 N 1.19 3.25 0.26 5.51 0.00 0.71 -0.96 121.76 131.73 3ic5 s ALA 32 Ca 0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 3ic5 s ALA 32 Cb -0.14 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3ic5 s ALA 32 CO 0.03 0.39 0.72 0.34 0.00 0.00 0.00 175.76 177.23 3ic5 s ASP 33 N -0.24 -0.29 0.13 0.00 -1.08 -0.82 -0.12 116.67 114.24 3ic5 s ASP 33 Ca 0.06 -0.53 0.18 0.00 -0.52 0.00 0.00 52.55 51.73 3ic5 s ASP 33 Cb -0.12 0.71 -0.07 0.00 -1.46 0.00 0.00 42.92 41.97 3ic5 s ASP 33 CO 0.02 -1.29 0.96 1.12 0.52 0.00 0.00 175.17 176.50 3ic5 h HIS 34 N 2.00 0.00 -3.45 -5.34 2.07 -1.87 0.35 115.15 108.91 3ic5 h HIS 34 Ca -0.21 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.65 3ic5 h HIS 34 Cb 1.26 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.07 3ic5 h HIS 34 CO 0.41 0.43 0.08 0.34 -3.07 0.00 0.00 177.93 176.12 3ic5 s ASP 35 N -5.78 6.27 0.53 3.10 -1.08 -1.26 -4.83 116.67 113.61 3ic5 s ASP 35 Ca -0.01 -0.58 0.31 0.00 -0.52 0.00 0.00 52.55 51.75 3ic5 s ASP 35 Cb 0.09 -2.30 1.46 0.00 -1.46 0.00 0.00 42.92 40.70 3ic5 s ASP 35 CO 0.80 -0.82 1.87 -0.07 0.52 0.00 0.00 175.17 177.47 3ic5 h LEU 36 N 9.69 0.04 0.00 -1.34 3.38 -1.95 -1.58 115.31 123.55 3ic5 h LEU 36 Ca -0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ic5 h LEU 36 Cb 1.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ic5 h LEU 36 CO 0.91 0.01 -1.07 0.00 0.09 0.00 0.00 178.44 178.38 3ic5 n ALA 37 N -2.70 2.63 -0.02 1.53 0.00 -1.26 -3.02 120.51 117.67 3ic5 n ALA 37 Ca 0.20 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 3ic5 n ALA 37 Cb 1.00 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 19.40 3ic5 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ic5 h ALA 38 N 2.07 0.62 -0.10 0.00 0.00 -1.73 -3.21 119.26 116.90 3ic5 h ALA 38 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3ic5 h ALA 38 Cb 0.96 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3ic5 h ALA 38 CO 0.00 0.69 0.06 1.28 0.00 0.00 0.00 179.25 181.28 3ic5 n LEU 39 N -3.97 3.09 -0.02 0.00 4.77 -0.67 -3.39 117.00 116.83 3ic5 n LEU 39 Ca -0.04 -1.57 -0.04 0.00 -0.03 0.00 0.00 56.01 54.34 3ic5 n LEU 39 Cb 0.62 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3ic5 n LEU 39 CO 0.48 0.52 -0.61 0.00 -1.33 0.00 0.00 177.39 176.45 3ic5 n ALA 40 N 0.27 2.77 -0.29 -1.18 0.00 -1.21 -3.32 120.51 117.55 3ic5 n ALA 40 Ca 0.06 -0.14 0.17 0.00 0.00 0.00 0.00 53.44 53.53 3ic5 n ALA 40 Cb 0.58 0.45 0.33 0.00 0.00 0.00 0.00 19.45 20.81 3ic5 n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ic5 n VAL 41 N -3.17 -0.36 0.07 0.00 0.31 -1.22 -0.44 118.33 113.53 3ic5 n VAL 41 Ca -0.07 1.86 -0.16 0.00 -0.01 0.00 0.00 64.34 65.96 3ic5 n VAL 41 Cb 0.54 -2.79 -0.08 0.00 -0.91 0.00 0.00 33.84 30.60 3ic5 n VAL 41 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ic5 h LEU 42 N 0.00 0.60 0.00 7.52 -0.00 -1.77 -3.44 115.31 118.22 3ic5 h LEU 42 Ca 0.58 -0.52 -0.40 0.00 -0.00 0.00 0.00 57.88 57.54 3ic5 h LEU 42 Cb 1.33 -0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 41.73 3ic5 h LEU 42 CO -0.77 1.33 -2.42 -3.20 -0.00 0.00 0.00 178.44 173.39 3ic5 n ASN 43 N -3.73 1.95 -0.65 -0.43 2.85 0.42 -1.71 115.26 113.96 3ic5 n ASN 43 Ca -0.08 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 3ic5 n ASN 43 Cb 0.89 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 41.32 3ic5 n ASN 43 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3ic5 n ARG 44 N -3.74 0.00 0.09 1.20 1.74 -1.02 -4.60 116.66 110.33 3ic5 n ARG 44 Ca -0.47 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 56.73 3ic5 n ARG 44 Cb 0.90 -0.97 0.23 0.00 -1.02 0.00 0.00 32.46 31.60 3ic5 n ARG 44 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ic5 h GLY 46 N 1.00 0.00 -5.83 -0.13 0.00 -1.90 -3.52 103.07 92.69 3ic5 h GLY 46 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3ic5 h GLY 46 CO 0.00 0.00 -0.12 0.14 0.00 0.00 0.00 176.54 176.56 3ic5 s VAL 47 N -3.16 5.17 0.28 4.60 1.01 -0.70 -5.03 120.40 122.57 3ic5 s VAL 47 Ca 0.07 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 3ic5 s VAL 47 Cb 0.12 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 3ic5 s VAL 47 CO 0.68 0.27 1.54 0.00 0.00 0.00 0.00 175.10 177.60 3ic5 n ALA 48 N 4.09 2.14 -2.39 5.51 0.00 -1.26 -4.20 120.51 124.40 3ic5 n ALA 48 Ca -0.07 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.56 3ic5 n ALA 48 Cb 0.51 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 3ic5 n ALA 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ic5 s THR 49 N -0.02 1.12 -0.27 0.00 -4.23 -1.26 -0.60 115.64 110.37 3ic5 s THR 49 Ca 0.65 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 3ic5 s THR 49 Cb -0.54 -2.57 0.11 0.00 1.34 0.00 0.00 72.50 70.84 3ic5 s THR 49 CO 0.49 -0.15 0.61 -0.75 -0.54 0.00 0.00 174.62 174.27 3ic5 s LYS 50 N -3.88 0.56 0.01 3.99 2.20 -0.14 -4.87 119.74 117.62 3ic5 s LYS 50 Ca 0.33 1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 56.94 3ic5 s LYS 50 Cb 0.07 0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 36.94 3ic5 s LYS 50 CO 0.12 -0.20 1.01 -1.14 -0.36 0.00 0.00 175.35 174.79 3ic5 s GLN 51 N 2.50 4.55 0.19 4.03 0.74 -1.26 -1.95 119.66 128.47 3ic5 s GLN 51 Ca -0.06 1.47 0.06 0.00 0.05 0.00 0.00 55.36 56.87 3ic5 s GLN 51 Cb -0.10 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3ic5 s GLN 51 CO -0.18 -0.06 -0.10 0.14 -0.55 0.00 0.00 175.29 174.53 3ic5 s VAL 52 N 0.96 1.44 -0.23 1.34 -7.23 0.12 -4.87 120.40 111.93 3ic5 s VAL 52 Ca 0.53 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3ic5 s VAL 52 Cb -0.22 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.72 3ic5 s VAL 52 CO 0.28 -0.59 -0.14 -0.62 -0.31 0.00 0.00 175.10 173.72 3ic5 s ASP 53 N -3.27 3.95 0.35 4.85 -1.08 -1.26 -3.39 116.67 116.82 3ic5 s ASP 53 Ca 0.22 -1.13 0.26 0.00 -0.52 0.00 0.00 52.55 51.38 3ic5 s ASP 53 Cb 0.02 -1.50 1.18 0.00 -1.46 0.00 0.00 42.92 41.16 3ic5 s ASP 53 CO 0.05 -0.13 1.79 0.00 0.52 0.00 0.00 175.17 177.41 3ic5 h ALA 54 N 7.84 1.00 0.00 3.66 0.00 -2.00 0.16 119.26 129.92 3ic5 h ALA 54 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ic5 h ALA 54 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ic5 h ALA 54 CO 0.52 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.40 3ic5 n LYS 55 N -2.45 0.16 -3.61 0.00 5.02 -1.26 -4.52 118.16 111.49 3ic5 n LYS 55 Ca 0.01 0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 56.11 3ic5 n LYS 55 Cb 0.20 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 3ic5 n LYS 55 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ic5 s ASP 56 N -3.94 5.61 0.17 4.39 2.15 0.57 -4.93 116.67 120.68 3ic5 s ASP 56 Ca 0.10 -2.23 -0.07 0.00 0.43 0.00 0.00 52.55 50.78 3ic5 s ASP 56 Cb 0.13 -1.96 0.03 0.00 -0.30 0.00 0.00 42.92 40.83 3ic5 s ASP 56 CO 0.51 -0.58 1.47 -0.33 -0.17 0.00 0.00 175.17 176.07 3ic5 h GLU 57 N 7.98 0.70 -0.29 4.34 5.08 -1.79 0.87 114.58 131.46 3ic5 h GLU 57 Ca -0.12 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.71 3ic5 h GLU 57 Cb 1.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3ic5 h GLU 57 CO 0.78 1.06 -0.18 0.00 -1.00 0.00 0.00 179.01 179.67 3ic5 h ALA 58 N 0.86 0.41 -0.90 3.43 0.00 -1.94 -1.50 119.26 119.61 3ic5 h ALA 58 Ca 0.01 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3ic5 h ALA 58 Cb 1.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3ic5 h ALA 58 CO 0.11 0.33 0.59 0.78 0.00 0.00 0.00 179.25 181.06 3ic5 h GLY 59 N 0.37 1.31 0.91 0.00 0.00 -1.89 -2.18 103.07 101.59 3ic5 h GLY 59 Ca 0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3ic5 h GLY 59 CO 0.05 0.39 -0.05 -2.00 0.00 0.00 0.00 176.54 174.93 3ic5 h LEU 60 N 1.15 0.62 -0.70 3.11 5.85 -0.54 -0.69 115.31 124.11 3ic5 h LEU 60 Ca 0.35 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3ic5 h LEU 60 Cb -0.02 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3ic5 h LEU 60 CO -0.11 0.82 0.39 0.00 -0.34 0.00 0.00 178.44 179.20 3ic5 h ALA 61 N 0.82 0.95 -0.33 1.25 0.00 -1.19 -0.42 119.26 120.34 3ic5 h ALA 61 Ca 0.09 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ic5 h ALA 61 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ic5 h ALA 61 CO 0.03 0.06 -0.08 -0.22 0.00 0.00 0.00 179.25 179.04 3ic5 h LYS 62 N 0.71 0.65 -0.04 0.00 3.64 -1.23 -2.39 116.57 117.91 3ic5 h LYS 62 Ca 0.32 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3ic5 h LYS 62 Cb 0.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ic5 h LYS 62 CO -0.20 0.82 0.03 0.00 -2.27 0.00 0.00 179.45 177.83 3ic5 h ALA 63 N 0.81 1.89 -0.16 5.00 0.00 -0.70 -1.06 119.26 125.04 3ic5 h ALA 63 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ic5 h ALA 63 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ic5 h ALA 63 CO 0.03 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3ic5 n LEU 64 N -4.31 2.19 -4.77 0.00 4.77 -0.21 -4.92 117.00 109.76 3ic5 n LEU 64 Ca -0.02 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.70 3ic5 n LEU 64 Cb 0.13 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3ic5 n LEU 64 CO 0.32 0.43 0.97 -0.83 -1.33 0.00 0.00 177.39 176.95 3ic5 s GLY 65 N -1.70 2.92 0.00 -0.72 0.00 -0.40 -3.29 107.32 104.12 3ic5 s GLY 65 Ca 0.34 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.31 3ic5 s GLY 65 CO 0.29 1.83 0.00 0.61 0.00 0.00 0.00 173.10 175.84 3ic5 n GLY 66 N 0.66 0.78 3.87 0.20 0.00 -1.26 -5.06 105.19 104.39 3ic5 n GLY 66 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3ic5 n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic5 s PHE 67 N -3.00 3.60 0.23 1.61 0.08 -1.21 -4.94 117.98 114.36 3ic5 s PHE 67 Ca 0.00 0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.64 3ic5 s PHE 67 Cb 0.00 -1.97 0.24 0.00 -0.57 0.00 0.00 43.02 40.72 3ic5 s PHE 67 CO 0.00 0.72 1.56 -0.44 -0.10 0.00 0.00 175.22 176.96 3ic5 h ASP 68 N 5.02 0.34 -4.88 1.36 3.32 -0.53 -3.38 116.42 117.66 3ic5 h ASP 68 Ca -0.54 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.21 3ic5 h ASP 68 Cb 1.23 -0.10 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3ic5 h ASP 68 CO 0.59 0.84 -0.21 0.00 -1.72 0.00 0.00 179.24 178.74 3ic5 s ALA 69 N -3.84 -0.93 -0.15 3.45 0.00 -0.98 -1.45 121.76 117.86 3ic5 s ALA 69 Ca -0.05 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.46 3ic5 s ALA 69 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3ic5 s ALA 69 CO 0.80 -0.27 -0.16 0.08 0.00 0.00 0.00 175.76 176.22 3ic5 s VAL 70 N -1.15 2.66 -0.21 0.00 1.01 0.12 -1.18 120.40 121.64 3ic5 s VAL 70 Ca -0.12 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 3ic5 s VAL 70 Cb -0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3ic5 s VAL 70 CO 0.05 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 175.07 3ic5 s ILE 71 N 0.70 4.28 0.06 2.22 1.01 -0.36 -1.07 121.20 128.04 3ic5 s ILE 71 Ca -0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 3ic5 s ILE 71 Cb -0.16 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 3ic5 s ILE 71 CO 0.02 0.41 1.13 -0.55 0.00 0.00 0.00 174.94 175.94 3ic5 s SER 72 N 1.02 7.19 -0.23 3.58 0.15 -0.60 -0.79 113.70 124.02 3ic5 s SER 72 Ca 0.03 1.93 0.12 0.00 0.70 0.00 0.00 55.95 58.74 3ic5 s SER 72 Cb -0.14 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.04 3ic5 s SER 72 CO 0.02 -0.37 1.19 0.00 1.20 0.00 0.00 173.24 175.28 3ic5 n ALA 73 N 3.68 3.99 -2.42 5.45 0.00 0.88 -0.19 120.51 131.89 3ic5 n ALA 73 Ca 0.07 -3.35 -0.23 0.00 0.00 0.00 0.00 53.44 49.93 3ic5 n ALA 73 Cb 0.48 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 3ic5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ic5 s ALA 74 N -3.15 3.65 0.69 0.00 0.00 -1.14 -3.78 121.76 118.03 3ic5 s ALA 74 Ca 0.42 -1.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 3ic5 s ALA 74 Cb 0.38 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3ic5 s ALA 74 CO -0.03 -0.11 1.07 -2.30 0.00 0.00 0.00 175.76 174.39 3ic5 n PRO 75 N -1.27 0.69 -0.09 0.00 -0.02 -1.26 -0.90 135.00 132.15 3ic5 n PRO 75 Ca -0.01 0.29 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 3ic5 n PRO 75 Cb 0.63 -2.31 0.60 0.00 -0.02 0.00 0.00 33.50 32.40 3ic5 n PRO 75 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3ic5 h PHE 76 N -0.01 0.23 0.00 6.00 -0.00 -1.98 -0.52 116.94 120.67 3ic5 h PHE 76 Ca -0.48 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 3ic5 h PHE 76 Cb 1.34 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 3ic5 h PHE 76 CO 0.40 0.09 0.00 1.97 -0.00 0.00 0.00 178.31 180.77 3ic5 n PHE 77 N -4.42 0.20 1.16 6.09 1.16 -1.26 -1.63 117.46 118.76 3ic5 n PHE 77 Ca 0.12 0.08 0.12 0.00 -1.87 0.00 0.00 57.45 55.91 3ic5 n PHE 77 Cb 0.58 -0.63 0.23 0.00 -1.61 0.00 0.00 39.48 38.05 3ic5 n PHE 77 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3ic5 n LEU 78 N -1.69 1.52 -0.05 5.98 4.77 -0.20 -4.52 117.00 122.81 3ic5 n LEU 78 Ca 0.03 -0.50 -0.08 0.00 -0.03 0.00 0.00 56.01 55.43 3ic5 n LEU 78 Cb 0.15 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3ic5 n LEU 78 CO 0.13 0.28 0.76 0.74 -1.33 0.00 0.00 177.39 177.97 3ic5 h THR 79 N 1.90 0.58 -0.29 -5.08 2.02 -1.41 0.31 112.91 110.93 3ic5 h THR 79 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3ic5 h THR 79 Cb 0.62 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3ic5 h THR 79 CO 0.00 0.00 0.15 -0.65 0.37 0.00 0.00 175.52 175.39 3ic5 h PRO 80 N -0.12 0.40 -0.10 6.66 0.11 -1.80 0.26 132.00 137.41 3ic5 h PRO 80 Ca 0.13 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 3ic5 h PRO 80 Cb 0.32 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3ic5 h PRO 80 CO -0.31 0.30 -0.16 0.82 -0.21 0.00 0.00 178.00 178.43 3ic5 h ILE 81 N 0.40 1.39 -0.55 4.15 2.04 -1.63 -1.95 117.51 121.36 3ic5 h ILE 81 Ca 0.11 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 3ic5 h ILE 81 Cb 0.02 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 3ic5 h ILE 81 CO -0.02 0.41 0.09 0.40 0.00 0.00 0.00 178.15 179.03 3ic5 h ILE 82 N -0.16 1.25 -0.73 -0.67 2.04 -0.66 -2.11 117.51 116.47 3ic5 h ILE 82 Ca 0.01 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3ic5 h ILE 82 Cb 0.73 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3ic5 h ILE 82 CO 0.04 0.35 0.38 0.00 0.00 0.00 0.00 178.15 178.91 3ic5 h ALA 83 N 1.00 1.28 -0.30 1.87 0.00 -0.49 -0.59 119.26 122.03 3ic5 h ALA 83 Ca 0.17 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ic5 h ALA 83 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ic5 h ALA 83 CO 0.01 0.57 -0.15 -0.22 0.00 0.00 0.00 179.25 179.46 3ic5 h LYS 84 N 1.03 0.63 -0.27 0.00 3.64 -1.15 -1.13 116.57 119.32 3ic5 h LYS 84 Ca 0.26 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ic5 h LYS 84 Cb 0.07 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3ic5 h LYS 84 CO -0.04 0.86 0.16 0.00 -2.27 0.00 0.00 179.45 178.16 3ic5 h ALA 85 N 0.76 0.34 -0.30 5.00 0.00 -1.06 -0.22 119.26 123.77 3ic5 h ALA 85 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ic5 h ALA 85 Cb 0.67 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ic5 h ALA 85 CO 0.04 -0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.27 3ic5 h ALA 86 N 1.06 0.36 -0.76 0.00 0.00 -1.02 0.83 119.26 119.73 3ic5 h ALA 86 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ic5 h ALA 86 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ic5 h ALA 86 CO -0.02 -0.25 0.39 -0.22 0.00 0.00 0.00 179.25 179.15 3ic5 h LYS 87 N 0.29 1.07 -0.82 0.00 3.64 -1.04 -0.16 116.57 119.55 3ic5 h LYS 87 Ca 0.13 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3ic5 h LYS 87 Cb 0.06 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 3ic5 h LYS 87 CO -0.10 0.81 0.40 0.00 -2.27 0.00 0.00 179.45 178.29 3ic5 h ALA 88 N 1.20 1.16 0.00 5.00 0.00 -0.31 -1.69 119.26 124.62 3ic5 h ALA 88 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ic5 h ALA 88 Cb 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ic5 h ALA 88 CO -0.04 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3ic5 n ALA 89 N -2.42 2.42 -1.83 0.00 0.00 0.22 -4.90 120.51 113.99 3ic5 n ALA 89 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 3ic5 n ALA 89 Cb 0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3ic5 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic5 n GLY 90 N 0.86 0.40 3.77 0.00 0.00 -0.63 -4.52 105.19 105.07 3ic5 n GLY 90 Ca 0.16 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 3ic5 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic5 s ALA 91 N -2.40 3.56 0.54 4.61 0.00 -0.16 -4.91 121.76 123.00 3ic5 s ALA 91 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 3ic5 s ALA 91 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 3ic5 s ALA 91 CO 0.00 0.67 1.19 -1.01 0.00 0.00 0.00 175.76 176.62 3ic5 s HIS 92 N -1.15 2.58 -0.08 0.00 0.09 -0.53 -4.09 115.29 112.12 3ic5 s HIS 92 Ca 0.21 1.51 0.05 0.00 -0.00 0.00 0.00 55.06 56.83 3ic5 s HIS 92 Cb -0.12 -3.44 -0.01 0.00 -0.00 0.00 0.00 32.58 29.01 3ic5 s HIS 92 CO 0.12 -1.94 -0.23 -0.47 -0.00 0.00 0.00 174.74 172.22 3ic5 s TYR 93 N -1.59 2.53 -0.18 1.40 5.04 -1.26 0.16 117.35 123.45 3ic5 s TYR 93 Ca 0.72 -0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 3ic5 s TYR 93 Cb -0.29 -1.65 0.05 0.00 0.35 0.00 0.00 41.96 40.41 3ic5 s TYR 93 CO 0.34 -0.24 -0.02 0.12 -1.34 0.00 0.00 175.55 174.41 3ic5 s PHE 94 N -0.03 1.51 -1.18 4.97 5.36 -0.23 -4.96 117.98 123.42 3ic5 s PHE 94 Ca -0.07 -1.06 -0.05 0.00 -0.96 0.00 0.00 56.93 54.79 3ic5 s PHE 94 Cb -0.15 -1.22 0.11 0.00 -0.34 0.00 0.00 43.02 41.42 3ic5 s PHE 94 CO 0.05 -0.62 2.46 -3.47 -1.46 0.00 0.00 175.22 172.17 3ic5 n ASP 95 N 4.92 7.80 0.07 6.13 2.03 -1.26 -1.56 116.55 134.68 3ic5 n ASP 95 Ca -0.10 -3.15 -0.13 0.00 0.52 0.00 0.00 54.79 51.93 3ic5 n ASP 95 Cb 0.47 -1.34 -0.07 0.00 -0.72 0.00 0.00 41.12 39.45 3ic5 n ASP 95 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3ic5 h LEU 96 N 5.32 -0.08 -0.19 -2.67 5.85 -1.93 -3.48 115.31 118.13 3ic5 h LEU 96 Ca 0.66 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.52 3ic5 h LEU 96 Cb 0.37 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3ic5 h LEU 96 CO 1.38 -0.04 -0.39 0.35 -0.34 0.00 0.00 178.44 179.40 3ic5 n THR 97 N -5.12 0.00 0.46 1.05 -2.24 0.73 -4.42 114.28 104.74 3ic5 n THR 97 Ca -0.08 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3ic5 n THR 97 Cb 0.08 -0.42 0.47 0.00 -2.10 0.00 0.00 70.33 68.36 3ic5 n THR 97 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ic5 n GLU 98 N -3.28 0.21 -3.15 -0.78 0.28 -0.08 -4.54 120.64 109.31 3ic5 n GLU 98 Ca -0.02 0.37 0.03 0.00 -0.16 0.00 0.00 57.16 57.38 3ic5 n GLU 98 Cb 0.29 -1.85 -0.00 0.00 1.43 0.00 0.00 31.44 31.31 3ic5 n GLU 98 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3ic5 s ASP 99 N -4.28 -1.41 0.24 -1.84 -1.08 -1.26 -4.67 116.67 102.38 3ic5 s ASP 99 Ca 0.06 -0.12 -0.06 0.00 -0.52 0.00 0.00 52.55 51.91 3ic5 s ASP 99 Cb 0.10 1.85 0.25 0.00 -1.46 0.00 0.00 42.92 43.66 3ic5 s ASP 99 CO 0.44 -0.22 1.86 0.58 0.52 0.00 0.00 175.17 178.34 3ic5 h VAL 100 N 5.41 1.25 -0.32 1.11 2.07 -1.80 -0.79 116.25 123.19 3ic5 h VAL 100 Ca -0.00 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3ic5 h VAL 100 Cb 1.19 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ic5 h VAL 100 CO 0.10 0.29 0.18 0.00 0.02 0.00 0.00 177.57 178.16 3ic5 h ALA 101 N 1.29 0.40 -0.61 1.67 0.00 -1.96 -0.07 119.26 119.99 3ic5 h ALA 101 Ca 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3ic5 h ALA 101 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ic5 h ALA 101 CO -0.04 -0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.35 3ic5 h ALA 102 N 1.06 0.79 -0.30 0.00 0.00 -1.89 -1.61 119.26 117.32 3ic5 h ALA 102 Ca 0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3ic5 h ALA 102 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ic5 h ALA 102 CO -0.02 0.42 -0.43 1.15 0.00 0.00 0.00 179.25 180.37 3ic5 h THR 103 N 0.85 1.29 -0.64 0.00 2.02 -0.91 -2.56 112.91 112.96 3ic5 h THR 103 Ca 0.20 -1.62 0.02 0.00 0.77 0.00 0.00 66.41 65.78 3ic5 h THR 103 Cb 0.22 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3ic5 h THR 103 CO -0.01 0.53 0.41 0.78 0.37 0.00 0.00 175.52 177.59 3ic5 h ASN 104 N 0.58 0.68 -0.82 4.18 2.35 -0.88 -0.33 115.58 121.33 3ic5 h ASN 104 Ca 0.03 -0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3ic5 h ASN 104 Cb 1.03 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 39.18 3ic5 h ASN 104 CO 0.10 0.48 0.47 0.00 -1.65 0.00 0.00 177.43 176.83 3ic5 h ALA 105 N 1.27 1.18 -0.48 -0.83 0.00 -1.06 0.13 119.26 119.46 3ic5 h ALA 105 Ca 0.25 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3ic5 h ALA 105 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ic5 h ALA 105 CO -0.09 0.09 -0.03 0.28 0.00 0.00 0.00 179.25 179.50 3ic5 h VAL 106 N 0.79 1.27 -0.47 0.00 2.07 -1.00 -0.33 116.25 118.56 3ic5 h VAL 106 Ca 0.40 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3ic5 h VAL 106 Cb 0.37 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3ic5 h VAL 106 CO -0.25 0.39 0.29 0.03 0.02 0.00 0.00 177.57 178.05 3ic5 h ARG 107 N 0.72 0.57 -0.53 1.57 3.08 -0.46 -0.72 114.38 118.61 3ic5 h ARG 107 Ca 0.13 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.18 3ic5 h ARG 107 Cb 0.55 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3ic5 h ARG 107 CO 0.03 0.38 0.30 0.00 -1.07 0.00 0.00 179.97 179.61 3ic5 h ALA 108 N 1.20 0.68 -0.23 0.04 0.00 -0.40 -2.22 119.26 118.33 3ic5 h ALA 108 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ic5 h ALA 108 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ic5 h ALA 108 CO -0.07 -0.02 0.14 1.25 0.00 0.00 0.00 179.25 180.55 3ic5 h LEU 109 N 0.58 0.23 -0.85 0.00 6.46 -0.75 0.75 115.31 121.75 3ic5 h LEU 109 Ca 0.22 -0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.07 3ic5 h LEU 109 Cb 0.07 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.88 3ic5 h LEU 109 CO -0.12 0.17 0.50 0.58 -0.62 0.00 0.00 178.44 178.95 3ic5 h VAL 110 N 0.29 0.96 0.24 1.05 2.07 -0.82 -0.39 116.25 119.65 3ic5 h VAL 110 Ca 0.09 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3ic5 h VAL 110 Cb -0.02 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3ic5 h VAL 110 CO -0.03 0.16 -0.12 -0.33 0.02 0.00 0.00 177.57 177.27 3ic5 h GLU 111 N 0.87 -0.31 -0.09 1.57 4.39 -1.02 -3.18 114.58 116.80 3ic5 h GLU 111 Ca 0.40 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.14 3ic5 h GLU 111 Cb 0.31 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3ic5 h GLU 111 CO -0.22 -0.01 0.07 -0.44 -1.16 0.00 0.00 179.01 177.25 3ic5 h ASP 112 N -0.63 0.00 0.48 1.42 3.32 -0.43 -0.37 116.42 120.22 3ic5 h ASP 112 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ic5 h ASP 112 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ic5 h ASP 112 CO 0.05 0.00 -0.00 0.77 -1.72 0.00 0.00 179.24 178.34 3ic5 h SER 113 N 0.00 0.00 0.07 6.45 4.64 -1.05 -1.71 113.55 121.95 3ic5 h SER 113 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ic5 h SER 113 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ic5 h SER 113 CO -0.00 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.20 3ic5 n GLN 114 N -3.09 0.35 0.00 4.77 6.02 -0.16 -5.12 117.38 120.16 3ic5 n GLN 114 Ca -0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 3ic5 n GLN 114 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3ic5 n GLN 114 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30