#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iy4 s MET 2 N 0.00 0.59 -0.07 3.23 1.75 -1.26 -1.12 119.30 122.42 3iy4 s MET 2 Ca 0.00 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.10 3iy4 s MET 2 Cb 0.00 0.25 0.02 0.00 2.84 0.00 0.00 34.83 37.94 3iy4 s MET 2 CO 0.00 -0.16 -0.08 0.99 -0.65 0.00 0.00 175.02 175.12 3iy4 s THR 3 N -1.54 0.89 -0.11 10.11 2.01 -0.12 -4.68 115.64 122.20 3iy4 s THR 3 Ca -0.13 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3iy4 s THR 3 Cb -0.06 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.59 3iy4 s THR 3 CO 0.02 0.31 -0.23 -1.58 -0.69 0.00 0.00 174.62 172.46 3iy4 s GLN 4 N 1.01 3.06 -0.00 4.92 0.74 -1.26 -1.47 119.66 126.66 3iy4 s GLN 4 Ca -0.09 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.47 3iy4 s GLN 4 Cb -0.15 -2.36 -0.00 0.00 1.10 0.00 0.00 33.01 31.60 3iy4 s GLN 4 CO -0.00 0.13 -0.03 -1.50 -0.55 0.00 0.00 175.29 173.34 3iy4 s ILE 5 N 0.48 0.22 0.67 -2.34 1.10 -1.00 -4.59 121.20 115.74 3iy4 s ILE 5 Ca -0.15 -0.12 -0.04 0.00 -0.51 0.00 0.00 60.65 59.83 3iy4 s ILE 5 Cb -0.17 -0.19 0.07 0.00 0.15 0.00 0.00 42.46 42.31 3iy4 s ILE 5 CO 0.06 0.06 0.95 -2.16 -2.11 0.00 0.00 174.94 171.74 3iy4 s PRO 6 N -0.05 2.15 -0.10 3.50 0.04 -1.26 -2.47 135.00 136.82 3iy4 s PRO 6 Ca 0.01 -0.54 -0.27 0.00 0.04 0.00 0.00 61.00 60.24 3iy4 s PRO 6 Cb -0.01 -2.27 -0.26 0.00 0.04 0.00 0.00 34.50 31.99 3iy4 s PRO 6 CO -0.00 -1.16 0.89 0.00 0.04 0.00 0.00 177.00 176.76 3iy4 h ALA 7 N -0.43 -0.01 -3.39 8.56 0.00 -1.82 -3.40 119.26 118.77 3iy4 h ALA 7 Ca -0.43 -0.51 -0.66 0.00 0.00 0.00 0.00 54.91 53.32 3iy4 h ALA 7 Cb 1.30 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 3iy4 h ALA 7 CO 0.54 0.07 -0.78 0.45 0.00 0.00 0.00 179.25 179.53 3iy4 s SER 8 N -6.33 3.95 -0.34 0.00 0.15 -1.26 -0.79 113.70 109.07 3iy4 s SER 8 Ca -0.17 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 55.88 3iy4 s SER 8 Cb -0.01 -0.56 0.14 0.00 -1.71 0.00 0.00 66.02 63.88 3iy4 s SER 8 CO 0.72 0.14 0.32 -0.22 1.20 0.00 0.00 173.24 175.41 3iy4 s LEU 9 N -2.46 0.02 -0.06 3.45 2.96 -0.07 -4.89 118.68 117.62 3iy4 s LEU 9 Ca 0.21 -1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 3iy4 s LEU 9 Cb -0.10 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.97 3iy4 s LEU 9 CO 0.12 -0.32 1.08 0.00 -1.32 0.00 0.00 176.35 175.91 3iy4 s ALA 10 N 1.75 3.40 0.01 5.97 0.00 -1.26 -2.02 121.76 129.61 3iy4 s ALA 10 Ca 0.14 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 3iy4 s ALA 10 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3iy4 s ALA 10 CO -0.15 -0.59 -0.02 0.54 0.00 0.00 0.00 175.76 175.54 3iy4 s VAL 11 N 1.87 0.09 0.26 0.00 0.11 -0.60 -4.93 120.40 117.19 3iy4 s VAL 11 Ca 0.52 -0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 3iy4 s VAL 11 Cb -0.21 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3iy4 s VAL 11 CO 0.21 -0.39 0.49 -0.44 -3.33 0.00 0.00 175.10 171.64 3iy4 s SER 12 N -1.14 6.40 0.34 3.54 0.01 -1.26 0.39 113.70 121.98 3iy4 s SER 12 Ca -0.13 0.56 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 3iy4 s SER 12 Cb -0.08 -2.08 -0.11 0.00 0.21 0.00 0.00 66.02 63.97 3iy4 s SER 12 CO -0.01 -0.15 1.47 -0.76 0.41 0.00 0.00 173.24 174.21 3iy4 s LEU 13 N -3.57 4.35 0.00 2.44 1.43 -1.26 -1.11 118.68 120.96 3iy4 s LEU 13 Ca 0.41 2.94 0.00 0.00 -1.03 0.00 0.00 54.13 56.46 3iy4 s LEU 13 Cb -0.11 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3iy4 s LEU 13 CO 0.30 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3iy4 n GLY 14 N 0.98 3.01 3.48 -3.19 0.00 0.39 -4.88 105.19 104.97 3iy4 n GLY 14 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3iy4 n GLY 14 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iy4 n GLN 15 N -0.44 -2.08 -4.17 1.61 3.00 -0.26 -3.99 117.38 111.05 3iy4 n GLN 15 Ca 0.00 -0.57 -0.27 0.00 -0.01 0.00 0.00 57.00 56.15 3iy4 n GLN 15 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 30.24 28.02 3iy4 n GLN 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3iy4 s ARG 16 N -4.32 2.52 0.05 -1.09 3.52 -1.24 -0.36 118.95 118.03 3iy4 s ARG 16 Ca 0.67 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3iy4 s ARG 16 Cb -0.24 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 3iy4 s ARG 16 CO 0.64 0.48 -0.04 0.00 -0.81 0.00 0.00 175.30 175.57 3iy4 s ALA 17 N -1.64 0.53 -0.04 6.12 0.00 -0.38 -4.98 121.76 121.37 3iy4 s ALA 17 Ca 0.28 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3iy4 s ALA 17 Cb -0.10 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3iy4 s ALA 17 CO 0.19 -0.24 0.07 0.99 0.00 0.00 0.00 175.76 176.77 3iy4 s THR 18 N -2.92 -0.08 -0.06 0.00 2.01 -1.26 -1.73 115.64 111.59 3iy4 s THR 18 Ca 0.00 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.31 3iy4 s THR 18 Cb 0.01 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.37 3iy4 s THR 18 CO -0.05 0.11 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.14 3iy4 s ILE 19 N 1.41 1.78 0.21 1.82 1.01 -0.19 -4.78 121.20 122.45 3iy4 s ILE 19 Ca -0.05 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.79 3iy4 s ILE 19 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 3iy4 s ILE 19 CO -0.04 0.50 -0.17 -0.44 0.00 0.00 0.00 174.94 174.79 3iy4 s SER 20 N 0.04 2.85 0.04 3.58 0.01 -1.03 -0.04 113.70 119.15 3iy4 s SER 20 Ca -0.07 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.22 3iy4 s SER 20 Cb -0.14 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 3iy4 s SER 20 CO 0.04 -0.08 -0.06 0.00 0.41 0.00 0.00 173.24 173.55 3iy4 s LYS 22 N -1.93 1.36 0.09 0.00 2.20 -0.54 -0.78 119.74 120.15 3iy4 s LYS 22 Ca -0.08 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 3iy4 s LYS 22 Cb -0.07 -1.24 -0.04 0.00 -1.51 0.00 0.00 37.83 34.97 3iy4 s LYS 22 CO -0.01 0.21 0.12 0.00 -0.36 0.00 0.00 175.35 175.31 3iy4 s ALA 23 N 0.01 3.66 -0.16 3.13 0.00 -0.46 -0.94 121.76 127.00 3iy4 s ALA 23 Ca -0.01 -1.02 0.16 0.00 0.00 0.00 0.00 51.96 51.09 3iy4 s ALA 23 Cb -0.09 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3iy4 s ALA 23 CO 0.01 0.72 1.25 0.77 0.00 0.00 0.00 175.76 178.51 3iy4 h SER 24 N 3.07 0.00 -3.99 0.00 0.02 -1.48 -3.44 113.55 107.73 3iy4 h SER 24 Ca -0.47 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.09 3iy4 h SER 24 Cb 1.17 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.54 3iy4 h SER 24 CO 0.67 0.49 -0.74 -1.10 -1.14 0.00 0.00 176.83 175.01 3iy4 s GLN 25 N -2.97 1.04 0.62 3.45 -0.21 -1.26 -4.81 119.66 115.51 3iy4 s GLN 25 Ca 0.02 -1.30 -0.19 0.00 0.02 0.00 0.00 55.36 53.91 3iy4 s GLN 25 Cb 0.08 -0.82 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 3iy4 s GLN 25 CO 0.76 0.14 1.28 0.45 -2.12 0.00 0.00 175.29 175.81 3iy4 s SER 26 N -2.68 4.83 -0.21 5.90 0.15 -1.26 -4.65 113.70 115.78 3iy4 s SER 26 Ca 0.11 2.59 0.12 0.00 0.70 0.00 0.00 55.95 59.48 3iy4 s SER 26 Cb -0.03 -2.62 0.42 0.00 -1.71 0.00 0.00 66.02 62.09 3iy4 s SER 26 CO 0.03 -1.85 1.28 1.33 1.20 0.00 0.00 173.24 175.22 3iy4 n VAL 27 N -1.71 2.23 -3.61 4.45 0.24 -1.26 -4.70 118.33 113.97 3iy4 n VAL 27 Ca 0.15 -2.86 -0.37 0.00 -2.04 0.00 0.00 64.34 59.21 3iy4 n VAL 27 Cb 0.48 -0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 32.49 3iy4 n VAL 27 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3iy4 s ASP 28 N -2.93 6.08 -0.13 -1.34 1.01 -1.26 -0.69 116.67 117.42 3iy4 s ASP 28 Ca 0.39 0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.67 3iy4 s ASP 28 Cb 0.36 -2.12 0.06 0.00 1.01 0.00 0.00 42.92 42.23 3iy4 s ASP 28 CO -0.03 -0.00 0.19 -0.47 0.21 0.00 0.00 175.17 175.07 3iy4 s TYR 29 N 1.45 -0.22 -1.17 4.23 5.04 0.16 -4.81 117.35 122.02 3iy4 s TYR 29 Ca 0.08 0.53 -0.06 0.00 -2.44 0.00 0.00 57.07 55.18 3iy4 s TYR 29 Cb -0.15 -0.27 0.01 0.00 0.35 0.00 0.00 41.96 41.90 3iy4 s TYR 29 CO 0.08 -0.38 0.77 0.39 -1.34 0.00 0.00 175.55 175.07 3iy4 n GLU 30 N 5.33 -5.47 -0.77 4.97 1.02 -1.26 -2.27 120.64 122.19 3iy4 n GLU 30 Ca -0.05 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3iy4 n GLU 30 Cb 0.50 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 3iy4 n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iy4 n GLY 31 N -1.59 0.81 3.42 0.62 0.00 -1.26 -5.00 105.19 102.19 3iy4 n GLY 31 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3iy4 n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iy4 s ASP 32 N -2.72 2.77 -0.15 1.61 1.01 -0.96 -5.11 116.67 113.11 3iy4 s ASP 32 Ca 0.00 -1.17 0.02 0.00 0.71 0.00 0.00 52.55 52.10 3iy4 s ASP 32 Cb 0.00 -0.17 0.02 0.00 1.01 0.00 0.00 42.92 43.78 3iy4 s ASP 32 CO 0.00 -0.32 -0.20 -0.55 0.21 0.00 0.00 175.17 174.31 3iy4 s SER 33 N -3.44 3.01 -1.04 0.27 0.15 -1.26 -0.67 113.70 110.73 3iy4 s SER 33 Ca 0.29 -0.59 -0.15 0.00 0.70 0.00 0.00 55.95 56.19 3iy4 s SER 33 Cb 0.03 -1.39 0.17 0.00 -1.71 0.00 0.00 66.02 63.12 3iy4 s SER 33 CO 0.12 0.03 1.19 -0.31 1.20 0.00 0.00 173.24 175.46 3iy4 s TYR 34 N 1.10 3.45 -0.02 3.44 2.02 0.14 -3.86 117.35 123.62 3iy4 s TYR 34 Ca -0.01 -1.87 0.00 0.00 -0.37 0.00 0.00 57.07 54.83 3iy4 s TYR 34 Cb -0.14 -4.19 0.02 0.00 -0.40 0.00 0.00 41.96 37.25 3iy4 s TYR 34 CO -0.07 -1.34 0.01 1.41 -1.57 0.00 0.00 175.55 173.99 3iy4 s MET 35 N 1.58 0.08 0.22 -0.62 1.75 -1.26 -0.21 119.30 120.84 3iy4 s MET 35 Ca 0.34 0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.91 3iy4 s MET 35 Cb -0.05 -0.28 -0.05 0.00 2.84 0.00 0.00 34.83 37.29 3iy4 s MET 35 CO -0.06 -0.12 0.08 0.54 -0.65 0.00 0.00 175.02 174.81 3iy4 s ASN 36 N 0.85 1.00 -0.04 1.11 2.20 0.62 -0.41 114.94 120.27 3iy4 s ASN 36 Ca -0.08 -1.33 0.02 0.00 -0.94 0.00 0.00 52.86 50.53 3iy4 s ASN 36 Cb -0.11 0.19 0.02 0.00 -2.00 0.00 0.00 41.25 39.35 3iy4 s ASN 36 CO -0.02 -0.71 -0.06 0.26 -2.94 0.00 0.00 177.10 173.63 3iy4 s TRP 37 N -3.81 0.88 0.12 1.54 0.52 -0.22 -1.28 118.94 116.70 3iy4 s TRP 37 Ca 0.34 -0.25 0.11 0.00 0.02 0.00 0.00 56.10 56.31 3iy4 s TRP 37 Cb 0.07 -0.71 -0.04 0.00 -1.15 0.00 0.00 33.47 31.64 3iy4 s TRP 37 CO 0.11 -0.18 -0.26 0.71 0.02 0.00 0.00 176.95 177.34 3iy4 s TYR 38 N 0.70 2.33 -0.16 -1.98 2.02 0.70 -1.38 117.35 119.58 3iy4 s TYR 38 Ca -0.10 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3iy4 s TYR 38 Cb -0.13 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3iy4 s TYR 38 CO 0.01 0.33 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.98 3iy4 s GLN 39 N -2.00 3.06 -0.51 -0.62 0.74 -0.16 -1.01 119.66 119.16 3iy4 s GLN 39 Ca 0.14 -0.82 -0.05 0.00 0.05 0.00 0.00 55.36 54.68 3iy4 s GLN 39 Cb -0.10 -2.53 0.13 0.00 1.10 0.00 0.00 33.01 31.62 3iy4 s GLN 39 CO 0.06 -0.07 0.34 -1.14 -0.55 0.00 0.00 175.29 173.93 3iy4 s GLN 40 N 0.97 2.37 0.66 1.67 0.74 0.06 -0.64 119.66 125.50 3iy4 s GLN 40 Ca -0.03 -2.02 -0.17 0.00 0.05 0.00 0.00 55.36 53.19 3iy4 s GLN 40 Cb -0.15 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.19 3iy4 s GLN 40 CO -0.05 -1.15 1.20 0.15 -0.55 0.00 0.00 175.29 174.89 3iy4 s LYS 41 N 0.84 2.57 0.26 1.67 1.02 -1.26 -2.28 119.74 122.56 3iy4 s LYS 41 Ca 0.10 1.74 -0.31 0.00 0.02 0.00 0.00 55.97 57.53 3iy4 s LYS 41 Cb -0.23 -1.89 -0.12 0.00 -0.52 0.00 0.00 37.83 35.08 3iy4 s LYS 41 CO -0.03 -1.50 1.65 -0.35 -0.92 0.00 0.00 175.35 174.19 3iy4 n PRO 42 N -2.21 2.73 -1.90 -1.68 -0.04 -1.26 -2.67 135.00 127.97 3iy4 n PRO 42 Ca 0.13 0.98 -0.05 0.00 -0.04 0.00 0.00 63.50 64.52 3iy4 n PRO 42 Cb 0.50 -2.78 -0.01 0.00 -0.04 0.00 0.00 33.50 31.17 3iy4 n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iy4 n GLY 43 N 2.85 0.29 3.49 0.55 0.00 -1.26 -5.02 105.19 106.10 3iy4 n GLY 43 Ca 0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3iy4 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iy4 s GLN 44 N -3.87 1.49 0.76 1.61 -0.21 -1.09 -5.16 119.66 113.19 3iy4 s GLN 44 Ca 0.00 -1.37 -0.11 0.00 0.02 0.00 0.00 55.36 53.90 3iy4 s GLN 44 Cb 0.00 0.42 0.05 0.00 1.00 0.00 0.00 33.01 34.49 3iy4 s GLN 44 CO 0.00 -0.59 1.12 -1.25 -2.12 0.00 0.00 175.29 172.45 3iy4 s PRO 45 N -4.00 2.30 0.83 2.91 0.04 -1.26 -4.66 135.00 131.17 3iy4 s PRO 45 Ca 0.27 0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.37 3iy4 s PRO 45 Cb 0.01 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.63 3iy4 s PRO 45 CO 0.10 -1.35 1.09 -2.14 0.04 0.00 0.00 177.00 174.75 3iy4 s PRO 46 N -5.45 1.77 0.04 0.56 0.02 -1.26 -4.42 135.00 126.26 3iy4 s PRO 46 Ca 0.60 0.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.40 3iy4 s PRO 46 Cb -0.11 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 3iy4 s PRO 46 CO 0.49 -1.88 0.00 -1.59 -0.33 0.00 0.00 177.00 173.70 3iy4 s LYS 47 N -5.02 0.52 0.25 5.54 -2.85 0.18 -4.94 119.74 113.42 3iy4 s LYS 47 Ca 0.62 -0.93 -0.21 0.00 -1.00 0.00 0.00 55.97 54.45 3iy4 s LYS 47 Cb -0.16 0.19 -0.09 0.00 -2.06 0.00 0.00 37.83 35.71 3iy4 s LYS 47 CO 0.56 -0.10 0.79 -1.17 0.10 0.00 0.00 175.35 175.52 3iy4 s LEU 48 N -2.29 4.34 0.11 2.77 2.96 -1.26 -0.99 118.68 124.31 3iy4 s LEU 48 Ca -0.03 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 3iy4 s LEU 48 Cb 0.00 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3iy4 s LEU 48 CO -0.06 0.00 0.00 0.18 -1.32 0.00 0.00 176.35 175.15 3iy4 n LEU 49 N 0.67 0.99 -4.12 -0.68 4.77 -0.48 -4.88 117.00 113.27 3iy4 n LEU 49 Ca -0.01 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.93 3iy4 n LEU 49 Cb 0.51 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 3iy4 n LEU 49 CO 0.43 -0.76 -0.46 -0.63 -1.33 0.00 0.00 177.39 174.64 3iy4 s ILE 50 N -1.98 1.07 0.06 -0.08 1.09 -1.22 -0.86 121.20 119.28 3iy4 s ILE 50 Ca 0.00 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 58.76 3iy4 s ILE 50 Cb 0.00 -0.94 -0.03 0.00 -1.06 0.00 0.00 42.46 40.43 3iy4 s ILE 50 CO 0.00 0.12 -0.07 -0.72 -0.10 0.00 0.00 174.94 174.17 3iy4 s TYR 51 N -0.62 0.70 -1.51 3.97 1.13 0.47 -1.05 117.35 120.44 3iy4 s TYR 51 Ca 0.03 -0.63 -0.02 0.00 -1.41 0.00 0.00 57.07 55.04 3iy4 s TYR 51 Cb -0.07 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 3iy4 s TYR 51 CO 0.00 -0.12 0.31 0.00 -2.51 0.00 0.00 175.55 173.24 3iy4 n ALA 52 N 1.04 -0.74 0.00 9.51 0.00 -0.54 -1.22 120.51 128.55 3iy4 n ALA 52 Ca -0.20 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3iy4 n ALA 52 Cb 0.56 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.09 3iy4 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iy4 n ALA 53 N -2.75 0.00 -1.02 0.00 0.00 0.46 -4.34 120.51 112.85 3iy4 n ALA 53 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3iy4 n ALA 53 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3iy4 n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iy4 n SER 54 N 2.31 0.00 -4.58 0.00 2.88 -1.23 -3.13 113.62 109.87 3iy4 n SER 54 Ca 0.00 -1.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.14 3iy4 n SER 54 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3iy4 n SER 54 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3iy4 s ASN 55 N 0.00 6.29 -0.05 -3.46 0.01 -0.36 -4.65 114.94 112.73 3iy4 s ASN 55 Ca 0.00 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 52.02 3iy4 s ASN 55 Cb 0.00 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 3iy4 s ASN 55 CO 0.00 -0.31 1.06 -0.76 -1.51 0.00 0.00 177.10 175.58 3iy4 s LEU 56 N 2.20 4.30 0.67 0.60 1.43 -1.26 -0.39 118.68 126.23 3iy4 s LEU 56 Ca 0.17 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 3iy4 s LEU 56 Cb -0.16 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3iy4 s LEU 56 CO 0.11 -0.42 1.15 -0.70 0.23 0.00 0.00 176.35 176.72 3iy4 s GLU 57 N 1.66 2.62 0.28 1.70 2.56 -0.04 -4.95 118.70 122.53 3iy4 s GLU 57 Ca 0.52 1.56 -0.29 0.00 0.00 0.00 0.00 54.97 56.75 3iy4 s GLU 57 Cb -0.22 -1.91 -0.10 0.00 2.00 0.00 0.00 34.13 33.90 3iy4 s GLU 57 CO 0.23 -1.42 1.35 0.45 -0.56 0.00 0.00 175.26 175.31 3iy4 s SER 58 N -2.28 6.76 0.00 -1.70 0.15 -1.26 -2.31 113.70 113.07 3iy4 s SER 58 Ca 0.70 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.97 3iy4 s SER 58 Cb -0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3iy4 s SER 58 CO 0.41 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3iy4 n GLY 59 N 1.60 2.72 3.72 9.45 0.00 -1.26 -5.07 105.19 116.36 3iy4 n GLY 59 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3iy4 n GLY 59 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iy4 s ILE 60 N -2.63 4.52 0.54 -0.61 2.07 -0.98 -5.02 121.20 119.11 3iy4 s ILE 60 Ca 0.00 2.01 -0.18 0.00 -1.41 0.00 0.00 60.65 61.07 3iy4 s ILE 60 Cb 0.00 -4.29 -0.06 0.00 0.13 0.00 0.00 42.46 38.24 3iy4 s ILE 60 CO 0.00 0.27 1.05 -2.16 -1.91 0.00 0.00 174.94 172.19 3iy4 s PRO 61 N 0.26 3.53 0.00 3.50 0.04 -1.26 -4.89 135.00 136.17 3iy4 s PRO 61 Ca 0.49 1.30 0.05 0.00 0.04 0.00 0.00 61.00 62.87 3iy4 s PRO 61 Cb -0.23 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.49 3iy4 s PRO 61 CO 0.30 -0.65 0.94 0.00 0.04 0.00 0.00 177.00 177.62 3iy4 n ALA 62 N -1.52 1.45 0.00 8.56 0.00 -1.26 -2.52 120.51 125.22 3iy4 n ALA 62 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3iy4 n ALA 62 Cb 0.53 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3iy4 n ALA 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3iy4 n ARG 63 N -1.23 0.00 -4.33 0.00 0.63 -1.26 -4.57 116.66 105.89 3iy4 n ARG 63 Ca 0.02 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.61 3iy4 n ARG 63 Cb 0.03 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.84 3iy4 n ARG 63 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3iy4 s PHE 64 N 0.00 3.15 0.02 -0.14 0.08 -1.05 -1.59 117.98 118.45 3iy4 s PHE 64 Ca 0.00 0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 3iy4 s PHE 64 Cb 0.00 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 3iy4 s PHE 64 CO 0.00 0.34 0.18 -1.54 -0.10 0.00 0.00 175.22 174.10 3iy4 s SER 65 N -0.49 0.02 0.17 1.36 1.04 -0.48 -4.96 113.70 110.35 3iy4 s SER 65 Ca 0.09 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.32 3iy4 s SER 65 Cb -0.12 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 3iy4 s SER 65 CO 0.02 -0.48 -0.16 -0.83 0.98 0.00 0.00 173.24 172.77 3iy4 s GLY 66 N -1.77 1.33 0.32 7.32 0.00 -1.26 -1.19 107.32 112.07 3iy4 s GLY 66 Ca -0.09 -1.49 -0.18 0.00 0.00 0.00 0.00 44.72 42.95 3iy4 s GLY 66 CO -0.01 -1.56 0.82 -1.35 0.00 0.00 0.00 173.10 171.00 3iy4 s SER 67 N -2.80 -0.07 0.00 1.64 1.04 -0.70 -4.41 113.70 108.41 3iy4 s SER 67 Ca 0.16 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3iy4 s SER 67 Cb -0.04 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3iy4 s SER 67 CO 0.06 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.41 3iy4 n GLY 68 N -0.53 3.98 3.07 7.32 0.00 -1.26 -0.43 105.19 117.34 3iy4 n GLY 68 Ca -0.07 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3iy4 n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iy4 s SER 69 N 0.00 -0.07 0.00 1.61 1.04 0.11 -4.93 113.70 111.46 3iy4 s SER 69 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3iy4 s SER 69 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3iy4 s SER 69 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3iy4 n GLY 70 N 2.26 0.33 0.00 7.32 0.00 -1.26 -1.62 105.19 112.22 3iy4 n GLY 70 Ca -0.17 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3iy4 n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iy4 n THR 71 N 0.00 0.00 -5.11 2.61 -2.24 -1.26 -4.36 114.28 103.91 3iy4 n THR 71 Ca 0.00 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 3iy4 n THR 71 Cb 0.00 1.33 -0.17 0.00 -2.10 0.00 0.00 70.33 69.39 3iy4 n THR 71 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iy4 s ASP 72 N -0.11 2.98 0.06 3.42 1.11 -0.64 -1.36 116.67 122.14 3iy4 s ASP 72 Ca 0.00 -0.54 0.05 0.00 0.18 0.00 0.00 52.55 52.23 3iy4 s ASP 72 Cb 0.00 -1.36 -0.03 0.00 1.07 0.00 0.00 42.92 42.60 3iy4 s ASP 72 CO 0.00 0.14 -0.13 -0.36 1.18 0.00 0.00 175.17 176.00 3iy4 s PHE 73 N 0.41 1.12 0.00 4.23 0.40 0.04 -0.71 117.98 123.48 3iy4 s PHE 73 Ca -0.17 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 3iy4 s PHE 73 Cb -0.18 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 3iy4 s PHE 73 CO 0.08 0.03 -0.08 0.99 0.70 0.00 0.00 175.22 176.94 3iy4 s THR 74 N -1.18 0.61 -0.12 0.64 2.01 0.43 -0.32 115.64 117.70 3iy4 s THR 74 Ca -0.02 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 3iy4 s THR 74 Cb -0.09 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 3iy4 s THR 74 CO 0.02 0.10 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.82 3iy4 s LEU 75 N -0.38 3.52 -0.05 4.42 2.96 0.95 -1.72 118.68 128.38 3iy4 s LEU 75 Ca 0.01 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3iy4 s LEU 75 Cb -0.04 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3iy4 s LEU 75 CO -0.00 0.30 -0.16 0.21 -1.32 0.00 0.00 176.35 175.37 3iy4 s ASN 76 N -0.39 2.10 -0.24 3.68 3.04 -0.33 -1.03 114.94 121.77 3iy4 s ASN 76 Ca 0.07 -0.35 -0.02 0.00 0.04 0.00 0.00 52.86 52.60 3iy4 s ASN 76 Cb -0.12 -0.63 0.02 0.00 -1.54 0.00 0.00 41.25 38.97 3iy4 s ASN 76 CO 0.02 0.14 -0.05 -0.63 -3.04 0.00 0.00 177.10 173.54 3iy4 s ILE 77 N 0.11 3.02 0.02 -5.21 1.01 -0.70 -1.38 121.20 118.07 3iy4 s ILE 77 Ca -0.05 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 3iy4 s ILE 77 Cb -0.12 -2.49 -0.16 0.00 0.01 0.00 0.00 42.46 39.70 3iy4 s ILE 77 CO 0.02 0.26 1.21 1.12 0.00 0.00 0.00 174.94 177.55 3iy4 h HIS 78 N 8.05 -0.68 -3.75 3.97 2.07 -1.58 -1.00 115.15 122.23 3iy4 h HIS 78 Ca -0.35 -0.02 -0.65 0.00 -2.85 0.00 0.00 60.37 56.51 3iy4 h HIS 78 Cb 1.12 0.22 -0.37 0.00 2.57 0.00 0.00 27.41 30.95 3iy4 h HIS 78 CO 0.58 -0.35 -0.80 -1.25 -3.07 0.00 0.00 177.93 173.04 3iy4 s PRO 79 N -4.82 2.02 0.02 5.12 0.04 -1.25 -3.67 135.00 132.47 3iy4 s PRO 79 Ca -0.14 -1.19 -0.30 0.00 0.04 0.00 0.00 61.00 59.40 3iy4 s PRO 79 Cb 0.02 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3iy4 s PRO 79 CO 0.49 -0.57 1.13 0.08 0.04 0.00 0.00 177.00 178.17 3iy4 s VAL 80 N 1.22 4.32 0.40 -0.36 1.01 0.52 -4.78 120.40 122.74 3iy4 s VAL 80 Ca -0.07 1.66 0.08 0.00 0.00 0.00 0.00 61.98 63.65 3iy4 s VAL 80 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3iy4 s VAL 80 CO -0.06 0.11 0.26 -1.61 0.00 0.00 0.00 175.10 173.80 3iy4 s GLU 81 N 1.24 2.39 0.20 2.72 0.41 -1.26 -0.47 118.70 123.94 3iy4 s GLU 81 Ca 0.56 -1.67 -0.11 0.00 -0.41 0.00 0.00 54.97 53.34 3iy4 s GLU 81 Cb -0.26 -2.18 0.15 0.00 -1.78 0.00 0.00 34.13 30.06 3iy4 s GLU 81 CO 0.27 -0.12 1.86 0.93 -0.49 0.00 0.00 175.26 177.72 3iy4 h GLU 82 N 1.26 0.89 0.00 1.61 4.39 -2.00 -2.32 114.58 118.41 3iy4 h GLU 82 Ca -0.42 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3iy4 h GLU 82 Cb 1.26 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3iy4 h GLU 82 CO 0.64 0.59 0.00 1.05 -1.16 0.00 0.00 179.01 180.12 3iy4 h GLU 83 N 0.91 0.00 0.00 2.33 4.11 -2.02 -3.09 114.58 116.82 3iy4 h GLU 83 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3iy4 h GLU 83 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3iy4 h GLU 83 CO -0.07 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.76 3iy4 n ASP 84 N -2.51 0.00 -4.83 3.06 8.00 -0.87 -4.85 116.55 114.54 3iy4 n ASP 84 Ca -0.01 -1.36 -0.34 0.00 0.71 0.00 0.00 54.79 53.79 3iy4 n ASP 84 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3iy4 n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iy4 s ALA 85 N -2.00 3.22 0.00 2.24 0.00 -1.17 -4.90 121.76 119.15 3iy4 s ALA 85 Ca 0.22 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3iy4 s ALA 85 Cb 0.10 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3iy4 s ALA 85 CO 0.17 0.24 0.00 0.00 0.00 0.00 0.00 175.76 176.18 3iy4 n ALA 86 N -0.20 0.00 -2.92 0.00 0.00 -1.16 -4.55 120.51 111.69 3iy4 n ALA 86 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 3iy4 n ALA 86 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 3iy4 n ALA 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3iy4 s THR 87 N -2.83 4.11 0.08 0.00 -1.32 -0.97 -1.18 115.64 113.53 3iy4 s THR 87 Ca 0.00 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 3iy4 s THR 87 Cb 0.00 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 68.14 3iy4 s THR 87 CO 0.00 0.49 0.23 -0.31 -2.21 0.00 0.00 174.62 172.82 3iy4 s TYR 88 N 0.36 3.51 -0.01 9.09 1.51 -0.70 -0.76 117.35 130.35 3iy4 s TYR 88 Ca -0.02 0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 3iy4 s TYR 88 Cb -0.14 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3iy4 s TYR 88 CO 0.02 0.57 -0.00 0.71 -1.11 0.00 0.00 175.55 175.74 3iy4 s TYR 89 N -1.57 0.10 0.34 2.71 2.02 -0.18 -1.64 117.35 119.13 3iy4 s TYR 89 Ca 0.35 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 57.11 3iy4 s TYR 89 Cb -0.13 -0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 3iy4 s TYR 89 CO 0.28 -0.03 0.50 0.00 -1.57 0.00 0.00 175.55 174.73 3iy4 s GLN 91 N -4.23 0.72 0.25 0.00 0.74 -0.40 -0.73 119.66 116.01 3iy4 s GLN 91 Ca 0.43 0.87 0.09 0.00 0.05 0.00 0.00 55.36 56.80 3iy4 s GLN 91 Cb -0.10 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 3iy4 s GLN 91 CO 0.33 -0.09 0.01 1.14 -0.55 0.00 0.00 175.29 176.13 3iy4 s GLN 92 N 0.37 2.36 0.00 1.67 -2.07 -0.58 -0.28 119.66 121.14 3iy4 s GLN 92 Ca -0.00 -1.34 0.13 0.00 -1.82 0.00 0.00 55.36 52.33 3iy4 s GLN 92 Cb -0.04 -2.23 0.21 0.00 -1.09 0.00 0.00 33.01 29.86 3iy4 s GLN 92 CO 0.00 0.38 1.07 0.45 -1.32 0.00 0.00 175.29 175.87 3iy4 n SER 93 N -0.81 0.46 0.02 12.60 2.88 0.70 -3.43 113.62 126.05 3iy4 n SER 93 Ca -0.07 -1.97 -0.19 0.00 -1.33 0.00 0.00 58.87 55.30 3iy4 n SER 93 Cb 0.58 -0.23 -0.14 0.00 -0.75 0.00 0.00 64.21 63.67 3iy4 n SER 93 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3iy4 h ASN 94 N 0.49 0.37 -3.34 -3.46 -0.00 -1.78 -3.45 115.58 104.42 3iy4 h ASN 94 Ca -0.13 -0.93 -0.48 0.00 -0.00 0.00 0.00 56.30 54.75 3iy4 h ASN 94 Cb 1.64 -0.12 -0.14 0.00 -0.00 0.00 0.00 38.32 39.70 3iy4 h ASN 94 CO 0.04 1.37 -0.58 -0.83 -0.00 0.00 0.00 177.43 177.44 3iy4 s GLY 95 N -4.49 2.21 -0.08 1.57 0.00 -1.26 -4.87 107.32 100.40 3iy4 s GLY 95 Ca -0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 42.79 3iy4 s GLY 95 CO 0.79 -1.80 0.01 0.99 0.00 0.00 0.00 173.10 173.10 3iy4 s ASP 96 N -3.51 5.32 0.72 1.64 1.01 -1.26 -3.76 116.67 116.83 3iy4 s ASP 96 Ca 0.32 0.15 -0.11 0.00 0.71 0.00 0.00 52.55 53.63 3iy4 s ASP 96 Cb 0.07 -1.50 0.03 0.00 1.01 0.00 0.00 42.92 42.52 3iy4 s ASP 96 CO 0.15 0.37 1.09 -2.16 0.21 0.00 0.00 175.17 174.83 3iy4 s PRO 97 N -0.99 2.62 0.28 8.23 0.04 -1.26 -5.12 135.00 138.80 3iy4 s PRO 97 Ca 0.14 0.29 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 3iy4 s PRO 97 Cb -0.11 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3iy4 s PRO 97 CO 0.04 -1.14 0.99 0.71 0.04 0.00 0.00 177.00 177.64 3iy4 s TYR 98 N -3.36 3.77 0.03 0.56 2.02 -1.25 -4.93 117.35 114.19 3iy4 s TYR 98 Ca 0.59 1.82 0.00 0.00 -0.37 0.00 0.00 57.07 59.11 3iy4 s TYR 98 Cb -0.11 -3.06 -0.02 0.00 -0.40 0.00 0.00 41.96 38.37 3iy4 s TYR 98 CO 0.50 0.07 -0.04 0.99 -1.57 0.00 0.00 175.55 175.50 3iy4 s THR 99 N -1.30 0.23 0.21 -0.71 2.01 -1.22 -5.02 115.64 109.84 3iy4 s THR 99 Ca 0.45 -1.08 0.09 0.00 0.31 0.00 0.00 61.69 61.46 3iy4 s THR 99 Cb -0.26 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3iy4 s THR 99 CO 0.32 -0.55 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.28 3iy4 s PHE 100 N -1.80 2.66 0.55 4.92 0.08 -1.26 -1.52 117.98 121.61 3iy4 s PHE 100 Ca -0.11 -0.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.65 3iy4 s PHE 100 Cb -0.07 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3iy4 s PHE 100 CO -0.02 0.55 0.89 0.20 -0.10 0.00 0.00 175.22 176.74 3iy4 s GLY 101 N -3.09 1.57 0.32 4.36 0.00 0.09 -4.61 107.32 105.95 3iy4 s GLY 101 Ca 0.27 -0.46 0.25 0.00 0.00 0.00 0.00 44.72 44.77 3iy4 s GLY 101 CO 0.17 -0.23 1.75 -1.33 0.00 0.00 0.00 173.10 173.45 3iy4 h GLY 102 N -0.05 0.00 0.00 0.20 0.00 -1.89 -3.42 103.07 97.91 3iy4 h GLY 102 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3iy4 h GLY 102 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 3iy4 n GLY 103 N -0.40 2.45 2.79 4.60 0.00 -1.26 -5.05 105.19 108.32 3iy4 n GLY 103 Ca 0.01 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 3iy4 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iy4 s THR 104 N -1.76 0.72 -0.19 2.61 2.01 -0.65 -4.64 115.64 113.73 3iy4 s THR 104 Ca 0.00 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 3iy4 s THR 104 Cb 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 3iy4 s THR 104 CO 0.00 -0.08 0.88 -0.75 -0.69 0.00 0.00 174.62 173.98 3iy4 s LYS 105 N 1.78 4.27 -0.25 4.92 2.20 0.03 -1.73 119.74 130.96 3iy4 s LYS 105 Ca -0.00 1.08 -0.13 0.00 -0.36 0.00 0.00 55.97 56.55 3iy4 s LYS 105 Cb -0.16 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 3iy4 s LYS 105 CO -0.07 -0.43 0.30 -1.17 -0.36 0.00 0.00 175.35 173.62 3iy4 s LEU 106 N 2.50 4.08 -0.04 5.43 2.96 -0.33 -0.89 118.68 132.39 3iy4 s LEU 106 Ca 0.39 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 3iy4 s LEU 106 Cb -0.16 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 3iy4 s LEU 106 CO 0.10 -0.08 -0.21 1.51 -1.32 0.00 0.00 176.35 176.35 3iy4 s ASP 107 N 1.41 3.46 -0.18 3.68 -4.77 -0.85 -2.96 116.67 116.45 3iy4 s ASP 107 Ca 0.13 -0.36 -0.28 0.00 -3.30 0.00 0.00 52.55 48.74 3iy4 s ASP 107 Cb -0.15 -0.60 -0.00 0.00 -1.09 0.00 0.00 42.92 41.08 3iy4 s ASP 107 CO 0.09 0.32 0.97 -0.89 0.70 0.00 0.00 175.17 176.35 3iy4 s THR 108 N -0.62 4.77 -0.04 2.11 2.01 -1.26 -1.56 115.64 121.05 3iy4 s THR 108 Ca 0.09 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 63.70 3iy4 s THR 108 Cb -0.11 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3iy4 s THR 108 CO -0.00 -0.07 1.07 -0.75 -0.69 0.00 0.00 174.62 174.18 3iy4 s LYS 109 N 2.61 4.45 0.37 4.92 2.20 0.16 -4.89 119.74 129.56 3iy4 s LYS 109 Ca 0.43 1.52 0.04 0.00 -0.36 0.00 0.00 55.97 57.60 3iy4 s LYS 109 Cb -0.16 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 3iy4 s LYS 109 CO 0.11 -0.25 0.14 0.50 -0.36 0.00 0.00 175.35 175.49 3iy4 s ARG 110 N 1.60 1.82 0.00 4.03 3.52 -1.26 -4.35 118.95 124.31 3iy4 s ARG 110 Ca 0.53 -2.08 0.26 0.00 -0.13 0.00 0.00 55.73 54.30 3iy4 s ARG 110 Cb -0.22 -0.44 1.55 0.00 -1.56 0.00 0.00 34.95 34.28 3iy4 s ARG 110 CO 0.24 -0.46 1.90 0.00 -0.81 0.00 0.00 175.30 176.17