#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv5 s ASP 9 N 0.00 6.42 -0.04 -3.46 1.01 -1.26 -5.00 116.67 114.34 3iv5 s ASP 9 Ca 0.00 0.49 0.16 0.00 0.71 0.00 0.00 52.55 53.91 3iv5 s ASP 9 Cb 0.00 -2.15 -0.21 0.00 1.01 0.00 0.00 42.92 41.58 3iv5 s ASP 9 CO 0.00 0.20 0.57 1.33 0.21 0.00 0.00 175.17 177.49 3iv5 n VAL 10 N 3.06 1.29 -3.51 -1.27 0.24 -1.26 -4.74 118.33 112.14 3iv5 n VAL 10 Ca -0.15 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 60.98 3iv5 n VAL 10 Cb 0.53 -0.72 -0.08 0.00 -1.47 0.00 0.00 33.84 32.09 3iv5 n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3iv5 s LEU 11 N -5.73 5.69 0.09 1.34 1.43 -1.26 -5.05 118.68 115.19 3iv5 s LEU 11 Ca -0.05 -1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 51.24 3iv5 s LEU 11 Cb 0.08 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3iv5 s LEU 11 CO 0.83 -0.70 0.04 0.42 0.23 0.00 0.00 176.35 177.17 3iv5 s THR 12 N 1.43 0.16 0.15 5.49 -4.23 -1.26 -1.06 115.64 116.32 3iv5 s THR 12 Ca 0.05 -1.76 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 3iv5 s THR 12 Cb -0.26 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3iv5 s THR 12 CO 0.01 -0.74 -0.11 0.68 -0.54 0.00 0.00 174.62 173.92 3iv5 s VAL 13 N -3.96 1.22 -0.14 2.29 -7.23 0.57 -4.84 120.40 108.31 3iv5 s VAL 13 Ca 0.13 -2.04 -0.16 0.00 -1.81 0.00 0.00 61.98 58.11 3iv5 s VAL 13 Cb 0.07 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3iv5 s VAL 13 CO -0.05 -0.70 0.38 -0.44 -0.31 0.00 0.00 175.10 173.97 3iv5 s SER 14 N -3.10 6.55 0.31 4.85 0.01 -1.26 -0.98 113.70 120.07 3iv5 s SER 14 Ca 0.16 0.64 0.10 0.00 1.31 0.00 0.00 55.95 58.16 3iv5 s SER 14 Cb 0.01 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 3iv5 s SER 14 CO 0.01 0.05 -0.03 0.42 0.41 0.00 0.00 173.24 174.10 3iv5 s THR 15 N 0.57 2.85 -0.03 1.44 -4.23 0.13 -4.94 115.64 111.43 3iv5 s THR 15 Ca 0.21 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 3iv5 s THR 15 Cb -0.14 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.00 3iv5 s THR 15 CO 0.07 -0.29 -0.08 0.68 -0.54 0.00 0.00 174.62 174.46 3iv5 s VAL 16 N -2.46 0.71 0.76 2.29 -7.23 -1.26 -1.43 120.40 111.78 3iv5 s VAL 16 Ca 0.33 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 3iv5 s VAL 16 Cb -0.03 -0.66 0.15 0.00 0.56 0.00 0.00 36.38 36.40 3iv5 s VAL 16 CO 0.19 0.24 1.05 0.54 -0.31 0.00 0.00 175.10 176.80 3iv5 s ASN 17 N 0.43 4.11 0.34 4.85 2.20 -0.98 -4.95 114.94 120.94 3iv5 s ASN 17 Ca -0.07 -0.43 0.26 0.00 -0.94 0.00 0.00 52.86 51.69 3iv5 s ASN 17 Cb -0.11 0.16 1.11 0.00 -2.00 0.00 0.00 41.25 40.42 3iv5 s ASN 17 CO 0.01 -2.04 1.78 0.77 -2.94 0.00 0.00 177.10 174.68 3iv5 h SER 18 N -0.68 0.00 -0.32 3.54 4.64 -2.02 -0.29 113.55 118.42 3iv5 h SER 18 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3iv5 h SER 18 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3iv5 h SER 18 CO 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3iv5 n GLN 19 N -2.44 3.02 -2.23 4.77 6.02 -1.26 -4.90 117.38 120.35 3iv5 n GLN 19 Ca 0.01 -1.70 -0.17 0.00 -0.01 0.00 0.00 57.00 55.13 3iv5 n GLN 19 Cb 0.23 -1.86 -0.02 0.00 1.02 0.00 0.00 30.24 29.61 3iv5 n GLN 19 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3iv5 n ASP 20 N 0.38 -4.99 -4.69 1.08 8.00 -0.12 -4.96 116.55 111.25 3iv5 n ASP 20 Ca 0.15 0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.42 3iv5 n ASP 20 Cb 0.73 -4.24 -0.07 0.00 -0.02 0.00 0.00 41.12 37.52 3iv5 n ASP 20 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3iv5 s GLN 21 N -4.73 4.23 0.32 -1.24 -0.21 -1.26 -4.89 119.66 111.88 3iv5 s GLN 21 Ca 0.00 0.24 -0.15 0.00 0.02 0.00 0.00 55.36 55.46 3iv5 s GLN 21 Cb 0.00 -3.49 -0.09 0.00 1.00 0.00 0.00 33.01 30.43 3iv5 s GLN 21 CO 0.00 0.05 0.74 0.08 -2.12 0.00 0.00 175.29 174.04 3iv5 s VAL 22 N 1.01 4.67 -0.28 1.09 1.01 -1.26 -2.31 120.40 124.33 3iv5 s VAL 22 Ca 0.20 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 62.95 3iv5 s VAL 22 Cb -0.14 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.73 3iv5 s VAL 22 CO 0.08 -0.16 0.90 0.28 0.00 0.00 0.00 175.10 176.19 3iv5 s THR 23 N -1.96 0.00 0.61 3.92 -1.32 -0.51 -4.96 115.64 111.41 3iv5 s THR 23 Ca 0.54 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.88 3iv5 s THR 23 Cb -0.11 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 3iv5 s THR 23 CO 0.18 0.00 1.04 -1.10 -2.21 0.00 0.00 174.62 172.52 3iv5 s GLN 24 N 0.95 3.39 -0.01 7.08 -1.52 -1.26 -0.69 119.66 127.59 3iv5 s GLN 24 Ca -0.04 1.02 -0.15 0.00 -1.95 0.00 0.00 55.36 54.24 3iv5 s GLN 24 Cb -0.05 -2.05 0.02 0.00 -0.22 0.00 0.00 33.01 30.72 3iv5 s GLN 24 CO -0.11 -0.74 0.31 -1.59 -0.25 0.00 0.00 175.29 172.90 3iv5 s LYS 25 N -4.48 0.66 0.48 2.91 -2.85 -0.15 -4.87 119.74 111.44 3iv5 s LYS 25 Ca 0.60 -0.19 -0.24 0.00 -1.00 0.00 0.00 55.97 55.14 3iv5 s LYS 25 Cb -0.13 0.29 -0.07 0.00 -2.06 0.00 0.00 37.83 35.86 3iv5 s LYS 25 CO 0.43 -0.18 1.34 -2.14 0.10 0.00 0.00 175.35 174.90 3iv5 s PRO 26 N -1.32 3.52 0.29 1.78 0.02 -1.26 -0.32 135.00 137.71 3iv5 s PRO 26 Ca -0.14 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3iv5 s PRO 26 Cb -0.05 -2.48 0.65 0.00 0.02 0.00 0.00 34.50 32.64 3iv5 s PRO 26 CO 0.04 -0.88 1.78 1.25 -0.33 0.00 0.00 177.00 178.87 3iv5 h LEU 27 N 2.00 0.75 -1.34 -5.54 5.85 -1.42 -1.89 115.31 113.72 3iv5 h LEU 27 Ca -0.50 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.44 3iv5 h LEU 27 Cb 1.27 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 3iv5 h LEU 27 CO 0.60 0.31 0.56 0.08 -0.34 0.00 0.00 178.44 179.64 3iv5 h ARG 28 N 0.78 0.63 -0.71 1.25 0.11 -1.89 0.17 114.38 114.71 3iv5 h ARG 28 Ca 0.54 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 60.62 3iv5 h ARG 28 Cb 0.76 -0.14 -0.05 0.00 1.11 0.00 0.00 29.97 31.65 3iv5 h ARG 28 CO -0.36 0.41 0.43 -0.44 0.10 0.00 0.00 179.97 180.12 3iv5 h ASP 29 N 0.64 0.68 -0.52 0.08 3.45 -1.70 0.10 116.42 119.16 3iv5 h ASP 29 Ca 0.43 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.93 3iv5 h ASP 29 Cb 0.73 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 3iv5 h ASP 29 CO -0.19 0.46 0.31 0.28 -1.57 0.00 0.00 179.24 178.53 3iv5 h SER 30 N 0.82 0.49 -0.61 6.45 0.02 -0.75 -1.07 113.55 118.90 3iv5 h SER 30 Ca 0.30 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3iv5 h SER 30 Cb 0.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3iv5 h SER 30 CO -0.14 0.35 0.40 0.58 -1.14 0.00 0.00 176.83 176.88 3iv5 h VAL 31 N 0.61 1.15 -0.12 2.27 2.07 -0.81 -0.86 116.25 120.55 3iv5 h VAL 31 Ca 0.21 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3iv5 h VAL 31 Cb 0.03 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3iv5 h VAL 31 CO -0.10 0.15 0.07 0.50 0.02 0.00 0.00 177.57 178.21 3iv5 h LYS 32 N 0.82 0.17 -0.38 1.57 3.64 -0.47 -2.25 116.57 119.67 3iv5 h LYS 32 Ca 0.23 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 3iv5 h LYS 32 Cb -0.08 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.63 3iv5 h LYS 32 CO -0.05 0.20 -0.06 0.37 -2.27 0.00 0.00 179.45 177.63 3iv5 h GLN 33 N 0.10 0.04 -0.11 1.90 4.15 -0.72 0.49 115.11 120.95 3iv5 h GLN 33 Ca 0.04 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.50 3iv5 h GLN 33 Cb 0.07 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.70 3iv5 h GLN 33 CO -0.01 0.02 -0.21 0.00 -1.93 0.00 0.00 178.83 176.70 3iv5 h ALA 34 N 1.36 -0.18 -0.32 3.38 0.00 -0.84 -0.21 119.26 122.44 3iv5 h ALA 34 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3iv5 h ALA 34 Cb 0.27 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3iv5 h ALA 34 CO -0.36 -0.68 0.18 -0.07 0.00 0.00 0.00 179.25 178.32 3iv5 h LEU 35 N -0.28 0.40 -0.22 0.00 3.38 -0.89 0.72 115.31 118.42 3iv5 h LEU 35 Ca 0.09 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3iv5 h LEU 35 Cb 0.42 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3iv5 h LEU 35 CO -0.28 0.37 -0.33 0.11 0.09 0.00 0.00 178.44 178.41 3iv5 h LYS 36 N 0.40 -0.34 -0.17 1.13 1.57 -0.39 0.32 116.57 119.09 3iv5 h LYS 36 Ca 0.11 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3iv5 h LYS 36 Cb 0.06 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3iv5 h LYS 36 CO -0.02 -0.23 -0.05 -0.97 -0.57 0.00 0.00 179.45 177.61 3iv5 h ASN 37 N -0.35 -0.19 -0.40 0.86 -1.24 -0.71 -1.69 115.58 111.85 3iv5 h ASN 37 Ca 0.12 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.25 3iv5 h ASN 37 Cb 0.55 0.12 -0.09 0.00 0.73 0.00 0.00 38.32 39.62 3iv5 h ASN 37 CO -0.42 -0.07 -0.42 0.22 -1.29 0.00 0.00 177.43 175.45 3iv5 h TYR 38 N -0.02 -1.22 -0.75 0.67 3.20 -0.20 -1.49 116.97 117.15 3iv5 h TYR 38 Ca 0.08 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3iv5 h TYR 38 Cb 0.15 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 3iv5 h TYR 38 CO -0.21 -0.44 0.48 0.74 -1.64 0.00 0.00 178.16 177.09 3iv5 h PHE 39 N -0.32 0.97 -0.19 -3.82 0.05 -0.53 -2.37 116.94 110.73 3iv5 h PHE 39 Ca 0.14 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.93 3iv5 h PHE 39 Cb 0.58 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 3iv5 h PHE 39 CO -0.62 0.63 0.07 0.00 -0.18 0.00 0.00 178.31 178.21 3iv5 h ALA 40 N 1.49 0.25 -0.85 2.45 0.00 -0.84 -3.10 119.26 118.67 3iv5 h ALA 40 Ca 0.27 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3iv5 h ALA 40 Cb -0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3iv5 h ALA 40 CO -0.06 -0.13 0.49 1.96 0.00 0.00 0.00 179.25 181.51 3iv5 h GLN 41 N 0.15 0.78 -5.36 0.00 4.20 -0.78 -3.38 115.11 110.73 3iv5 h GLN 41 Ca 0.06 -0.05 -0.66 0.00 0.06 0.00 0.00 58.65 58.07 3iv5 h GLN 41 Cb 0.21 -0.18 -0.16 0.00 0.30 0.00 0.00 27.48 27.66 3iv5 h GLN 41 CO -0.00 0.52 0.09 -0.48 -0.67 0.00 0.00 178.83 178.29 3iv5 s LEU 42 N -10.27 4.54 -0.89 1.46 0.05 -1.00 -4.97 118.68 107.60 3iv5 s LEU 42 Ca -0.12 -0.37 -0.23 0.00 0.05 0.00 0.00 54.13 53.45 3iv5 s LEU 42 Cb 0.20 -2.70 0.06 0.00 -2.05 0.00 0.00 46.19 41.71 3iv5 s LEU 42 CO 0.78 -0.76 1.28 0.20 -0.55 0.00 0.00 176.35 177.31 3iv5 s ASN 43 N 1.98 6.40 -0.20 1.48 -0.87 -1.26 -4.21 114.94 118.26 3iv5 s ASN 43 Ca 0.22 -1.26 0.00 0.00 -1.57 0.00 0.00 52.86 50.24 3iv5 s ASN 43 Cb -0.14 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 3iv5 s ASN 43 CO 0.18 -1.49 0.00 0.61 -2.57 0.00 0.00 177.10 173.83 3iv5 n GLY 44 N 6.05 0.19 3.76 0.66 0.00 -1.26 -4.97 105.19 109.62 3iv5 n GLY 44 Ca 0.19 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3iv5 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iv5 s GLN 45 N -2.13 2.83 0.20 1.61 -0.21 -1.26 -4.97 119.66 115.73 3iv5 s GLN 45 Ca 0.00 1.62 -0.12 0.00 0.02 0.00 0.00 55.36 56.88 3iv5 s GLN 45 Cb 0.00 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 32.00 3iv5 s GLN 45 CO 0.00 -1.27 0.56 0.16 -2.12 0.00 0.00 175.29 172.62 3iv5 s ASP 46 N -2.05 6.72 0.10 5.90 -4.77 -1.26 -5.04 116.67 116.28 3iv5 s ASP 46 Ca 0.72 1.01 -0.03 0.00 -3.30 0.00 0.00 52.55 50.95 3iv5 s ASP 46 Cb -0.25 -2.26 -0.05 0.00 -1.09 0.00 0.00 42.92 39.26 3iv5 s ASP 46 CO 0.37 -0.01 0.31 -0.69 0.70 0.00 0.00 175.17 175.86 3iv5 s VAL 47 N -1.68 5.25 0.02 2.11 1.01 -1.26 -5.07 120.40 120.78 3iv5 s VAL 47 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3iv5 s VAL 47 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3iv5 s VAL 47 CO 0.20 0.10 0.00 0.59 0.00 0.00 0.00 175.10 175.99 3iv5 n ASN 48 N 0.24 0.17 -3.25 3.32 5.03 -1.26 -4.91 115.26 114.60 3iv5 n ASN 48 Ca -0.04 0.02 -0.33 0.00 0.87 0.00 0.00 54.58 55.10 3iv5 n ASN 48 Cb 0.52 -0.05 -0.01 0.00 -1.02 0.00 0.00 39.78 39.21 3iv5 n ASN 48 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3iv5 n ASP 49 N -2.65 5.71 0.12 6.41 8.00 -1.26 -4.79 116.55 128.08 3iv5 n ASP 49 Ca 0.00 -3.68 0.03 0.00 0.71 0.00 0.00 54.79 51.84 3iv5 n ASP 49 Cb 0.00 -0.82 0.40 0.00 -0.02 0.00 0.00 41.12 40.68 3iv5 n ASP 49 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3iv5 h LEU 50 N 3.53 0.22 0.06 0.64 5.85 -1.99 -1.25 115.31 122.37 3iv5 h LEU 50 Ca 0.30 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3iv5 h LEU 50 Cb 0.43 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3iv5 h LEU 50 CO 0.98 0.36 -0.03 0.22 -0.34 0.00 0.00 178.44 179.63 3iv5 h TYR 51 N 0.23 -0.07 -0.95 1.25 3.20 -2.00 -1.74 116.97 116.88 3iv5 h TYR 51 Ca 0.05 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.03 3iv5 h TYR 51 Cb 0.34 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 3iv5 h TYR 51 CO 0.01 0.27 0.61 1.49 -1.64 0.00 0.00 178.16 178.89 3iv5 h GLU 52 N -0.42 0.88 0.25 1.82 4.57 -1.86 -0.97 114.58 118.86 3iv5 h GLU 52 Ca -0.01 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3iv5 h GLU 52 Cb 0.37 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3iv5 h GLU 52 CO 0.01 0.58 -0.14 1.25 -1.18 0.00 0.00 179.01 179.54 3iv5 h LEU 53 N 0.91 -0.33 -0.16 1.64 5.85 -0.91 -0.45 115.31 121.86 3iv5 h LEU 53 Ca 0.47 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.15 3iv5 h LEU 53 Cb 0.52 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3iv5 h LEU 53 CO -0.23 -0.22 -0.11 0.58 -0.34 0.00 0.00 178.44 178.12 3iv5 h VAL 54 N -0.36 1.33 -0.43 1.05 2.07 -0.96 -2.67 116.25 116.28 3iv5 h VAL 54 Ca -0.03 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3iv5 h VAL 54 Cb 0.29 1.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 3iv5 h VAL 54 CO 0.04 0.36 -0.32 0.25 0.02 0.00 0.00 177.57 177.92 3iv5 h LEU 55 N 0.01 -1.08 -1.07 2.57 5.85 -1.10 -1.52 115.31 118.97 3iv5 h LEU 55 Ca 0.03 0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3iv5 h LEU 55 Cb 0.61 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3iv5 h LEU 55 CO 0.03 -0.31 0.62 0.00 -0.34 0.00 0.00 178.44 178.44 3iv5 h ALA 56 N 0.81 1.48 0.00 1.25 0.00 -1.05 0.46 119.26 122.20 3iv5 h ALA 56 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iv5 h ALA 56 Cb 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iv5 h ALA 56 CO -0.56 0.35 0.00 -1.91 0.00 0.00 0.00 179.25 177.13 3iv5 n GLU 57 N -4.52 0.13 -0.06 0.00 4.07 -0.64 -2.83 120.64 116.80 3iv5 n GLU 57 Ca 0.16 0.34 -0.08 0.00 -0.06 0.00 0.00 57.16 57.52 3iv5 n GLU 57 Cb 0.23 -1.74 -0.05 0.00 -0.06 0.00 0.00 31.44 29.82 3iv5 n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3iv5 n VAL 58 N -1.98 0.63 -0.35 6.31 0.31 -0.27 -4.52 118.33 118.46 3iv5 n VAL 58 Ca 0.03 -0.23 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 3iv5 n VAL 58 Cb 0.22 -1.00 0.09 0.00 -0.91 0.00 0.00 33.84 32.25 3iv5 n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3iv5 h GLU 59 N -0.06 1.24 0.48 5.55 5.08 -0.22 -2.60 114.58 124.04 3iv5 h GLU 59 Ca -0.25 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3iv5 h GLU 59 Cb 1.36 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3iv5 h GLU 59 CO -0.06 0.84 -0.38 1.96 -1.00 0.00 0.00 179.01 180.38 3iv5 h GLN 60 N 1.27 -0.79 0.00 2.33 4.20 -1.74 -0.67 115.11 119.70 3iv5 h GLN 60 Ca 0.34 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 3iv5 h GLN 60 Cb -0.11 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3iv5 h GLN 60 CO -0.07 -0.53 -0.00 -1.00 -0.67 0.00 0.00 178.83 176.56 3iv5 h PRO 61 N -0.82 0.00 0.00 1.46 0.13 -1.79 0.12 132.00 131.10 3iv5 h PRO 61 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 3iv5 h PRO 61 Cb 0.69 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.82 3iv5 h PRO 61 CO 0.01 0.00 -0.34 1.25 -0.23 0.00 0.00 178.00 178.69 3iv5 h LEU 62 N 0.00 0.30 -0.32 1.56 5.85 -1.11 -3.08 115.31 118.52 3iv5 h LEU 62 Ca -0.00 -0.78 -0.06 0.00 0.84 0.00 0.00 57.88 57.88 3iv5 h LEU 62 Cb 0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3iv5 h LEU 62 CO 0.00 1.04 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.05 3iv5 h LEU 63 N -0.42 0.57 -1.94 2.25 3.38 -0.39 -1.37 115.31 117.39 3iv5 h LEU 63 Ca -0.04 -0.33 0.20 0.00 0.09 0.00 0.00 57.88 57.80 3iv5 h LEU 63 Cb 1.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3iv5 h LEU 63 CO 0.07 0.77 0.59 -0.78 0.09 0.00 0.00 178.44 179.17 3iv5 h ASP 64 N 0.37 0.00 0.00 -0.43 -0.00 -0.88 -2.43 116.42 113.04 3iv5 h ASP 64 Ca 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.77 3iv5 h ASP 64 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.76 3iv5 h ASP 64 CO 0.02 0.00 -2.32 0.23 -0.00 0.00 0.00 179.24 177.17 3iv5 n MET 65 N -4.00 0.78 -0.04 0.28 2.81 -0.97 -3.34 117.12 112.63 3iv5 n MET 65 Ca 0.14 0.06 -0.13 0.00 -1.81 0.00 0.00 57.70 55.97 3iv5 n MET 65 Cb 0.85 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.80 3iv5 n MET 65 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3iv5 h VAL 66 N 0.00 1.32 -0.25 2.03 -1.51 -1.04 0.50 116.25 117.29 3iv5 h VAL 66 Ca -0.52 -1.08 0.06 0.00 -1.23 0.00 0.00 66.70 63.93 3iv5 h VAL 66 Cb 2.00 1.82 -0.07 0.00 -2.13 0.00 0.00 31.29 32.91 3iv5 h VAL 66 CO -0.03 0.31 -0.27 0.24 -1.23 0.00 0.00 177.57 176.59 3iv5 h MET 67 N -0.14 -0.26 -0.66 5.19 2.07 -1.66 0.62 114.93 120.10 3iv5 h MET 67 Ca 0.02 0.02 0.14 0.00 -2.07 0.00 0.00 59.70 57.81 3iv5 h MET 67 Cb 0.51 0.06 -0.10 0.00 -1.87 0.00 0.00 31.60 30.20 3iv5 h MET 67 CO 0.02 -0.18 0.09 0.37 1.07 0.00 0.00 176.91 178.28 3iv5 h GLN 68 N -0.27 0.20 -0.21 1.72 4.15 -1.53 0.52 115.11 119.68 3iv5 h GLN 68 Ca 0.14 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 3iv5 h GLN 68 Cb 0.49 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3iv5 h GLN 68 CO -0.41 0.13 -0.46 -0.92 -1.93 0.00 0.00 178.83 175.24 3iv5 h TYR 69 N 0.20 0.65 -0.32 3.99 3.20 0.13 -2.35 116.97 122.47 3iv5 h TYR 69 Ca 0.36 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3iv5 h TYR 69 Cb 0.58 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3iv5 h TYR 69 CO -0.30 0.90 0.00 0.25 -1.64 0.00 0.00 178.16 177.37 3iv5 n THR 70 N -4.00 1.42 -4.20 1.81 -2.24 0.20 -4.92 114.28 102.36 3iv5 n THR 70 Ca -0.02 -0.74 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 3iv5 n THR 70 Cb 0.55 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 3iv5 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3iv5 n ARG 71 N 0.36 -2.61 -0.02 -0.78 3.00 -0.11 -0.81 116.66 115.69 3iv5 n ARG 71 Ca 0.15 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 3iv5 n ARG 71 Cb 0.73 -4.67 0.00 0.00 0.00 0.00 0.00 32.46 28.52 3iv5 n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iv5 n GLY 72 N -1.71 1.25 3.56 5.14 0.00 -0.02 -5.01 105.19 108.41 3iv5 n GLY 72 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3iv5 n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iv5 s ASN 73 N -2.86 5.82 0.20 1.61 3.84 0.01 -4.88 114.94 118.69 3iv5 s ASN 73 Ca 0.00 0.23 -0.10 0.00 0.21 0.00 0.00 52.86 53.19 3iv5 s ASN 73 Cb 0.00 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.38 3iv5 s ASN 73 CO 0.00 -1.96 1.79 1.56 -2.79 0.00 0.00 177.10 175.69 3iv5 h GLN 74 N 12.32 0.56 -0.17 0.43 4.20 -1.95 -1.58 115.11 128.92 3iv5 h GLN 74 Ca -0.27 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.43 3iv5 h GLN 74 Cb 1.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3iv5 h GLN 74 CO 1.20 0.37 0.02 1.15 -0.67 0.00 0.00 178.83 180.90 3iv5 h THR 75 N 0.58 0.91 -0.31 -0.54 2.02 -1.97 0.10 112.91 113.69 3iv5 h THR 75 Ca 0.28 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.31 3iv5 h THR 75 Cb 0.21 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3iv5 h THR 75 CO -0.20 0.02 -0.27 0.03 0.37 0.00 0.00 175.52 175.47 3iv5 h ARG 76 N 0.09 0.73 -0.26 6.66 3.08 -1.91 -2.78 114.38 119.99 3iv5 h ARG 76 Ca 0.08 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.79 3iv5 h ARG 76 Cb 0.08 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 3iv5 h ARG 76 CO -0.12 0.99 -0.50 0.00 -1.07 0.00 0.00 179.97 179.27 3iv5 h ALA 77 N 0.73 -0.79 -0.45 0.04 0.00 -0.96 -0.95 119.26 116.87 3iv5 h ALA 77 Ca 0.05 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.07 3iv5 h ALA 77 Cb 0.84 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3iv5 h ALA 77 CO 0.07 -1.01 0.35 0.00 0.00 0.00 0.00 179.25 178.66 3iv5 h ALA 78 N -0.27 2.36 0.16 0.00 0.00 -0.64 -1.04 119.26 119.83 3iv5 h ALA 78 Ca 0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 3iv5 h ALA 78 Cb 0.57 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3iv5 h ALA 78 CO -0.48 -0.58 -1.35 -0.07 0.00 0.00 0.00 179.25 176.77 3iv5 h LEU 79 N 0.00 0.53 -0.44 0.00 3.38 -1.07 -1.29 115.31 116.42 3iv5 h LEU 79 Ca 0.21 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3iv5 h LEU 79 Cb 0.91 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3iv5 h LEU 79 CO -0.00 1.47 0.06 -0.03 0.09 0.00 0.00 178.44 180.03 3iv5 h MET 80 N 0.09 0.74 -0.01 1.13 4.05 0.03 -3.07 114.93 117.89 3iv5 h MET 80 Ca -0.18 -0.20 -0.14 0.00 -0.28 0.00 0.00 59.70 58.89 3iv5 h MET 80 Cb 2.03 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.73 3iv5 h MET 80 CO 0.22 0.77 -0.64 0.52 0.23 0.00 0.00 176.91 178.01 3iv5 h MET 81 N 0.60 0.05 0.00 0.39 2.86 -1.34 -3.47 114.93 114.02 3iv5 h MET 81 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3iv5 h MET 81 Cb 0.40 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3iv5 h MET 81 CO 0.01 0.67 0.00 0.41 1.06 0.00 0.00 176.91 179.06 3iv5 n GLY 82 N 0.32 0.99 3.28 8.32 0.00 -0.73 -5.09 105.19 112.28 3iv5 n GLY 82 Ca -0.01 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 3iv5 n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iv5 s ILE 83 N -2.00 1.40 0.34 -0.61 -4.36 -0.57 -5.05 121.20 110.36 3iv5 s ILE 83 Ca 0.00 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.12 3iv5 s ILE 83 Cb 0.00 -1.80 -0.12 0.00 1.25 0.00 0.00 42.46 41.79 3iv5 s ILE 83 CO 0.00 -0.58 1.35 -3.20 0.24 0.00 0.00 174.94 172.75 3iv5 n ASN 84 N 0.01 3.06 0.07 4.36 2.85 -1.26 -4.40 115.26 119.94 3iv5 n ASN 84 Ca -0.11 1.21 0.09 0.00 -0.11 0.00 0.00 54.58 55.65 3iv5 n ASN 84 Cb 0.59 -1.52 0.54 0.00 1.24 0.00 0.00 39.78 40.63 3iv5 n ASN 84 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3iv5 h ARG 85 N 2.79 0.28 0.12 1.20 2.43 -1.93 0.06 114.38 119.33 3iv5 h ARG 85 Ca -0.47 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3iv5 h ARG 85 Cb 1.27 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3iv5 h ARG 85 CO 0.64 0.18 -0.06 0.78 -1.51 0.00 0.00 179.97 180.00 3iv5 h GLY 86 N 0.29 -0.17 0.30 2.80 0.00 -2.00 -0.85 103.07 103.44 3iv5 h GLY 86 Ca 0.14 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.62 3iv5 h GLY 86 CO -0.03 -0.06 0.06 -0.84 0.00 0.00 0.00 176.54 175.67 3iv5 h THR 87 N -0.36 0.69 -0.92 4.70 2.02 -1.68 -1.25 112.91 116.11 3iv5 h THR 87 Ca -0.02 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.16 3iv5 h THR 87 Cb 0.29 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3iv5 h THR 87 CO 0.03 0.03 0.59 0.25 0.37 0.00 0.00 175.52 176.79 3iv5 h LEU 88 N 0.18 0.94 -0.37 2.58 5.85 -0.75 -1.73 115.31 122.00 3iv5 h LEU 88 Ca 0.24 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3iv5 h LEU 88 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3iv5 h LEU 88 CO -0.35 0.60 0.17 0.03 -0.34 0.00 0.00 178.44 178.55 3iv5 h ARG 89 N 1.08 0.54 -0.57 1.25 3.08 -0.11 -1.83 114.38 117.82 3iv5 h ARG 89 Ca 0.40 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.46 3iv5 h ARG 89 Cb 0.14 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 3iv5 h ARG 89 CO -0.17 0.49 0.17 -0.22 -1.07 0.00 0.00 179.97 179.17 3iv5 h LYS 90 N 0.46 0.31 -0.44 0.04 3.11 -0.62 -1.58 116.57 117.85 3iv5 h LYS 90 Ca 0.13 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.85 3iv5 h LYS 90 Cb 0.14 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 3iv5 h LYS 90 CO -0.01 0.20 -0.12 0.87 -2.81 0.00 0.00 179.45 177.58 3iv5 h LYS 91 N 0.32 0.81 -0.33 1.90 1.57 -0.97 -0.34 116.57 119.53 3iv5 h LYS 91 Ca 0.29 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3iv5 h LYS 91 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3iv5 h LYS 91 CO -0.34 0.90 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.17 3iv5 h LEU 92 N 0.73 0.63 -0.40 2.94 3.38 -0.83 -2.56 115.31 119.20 3iv5 h LEU 92 Ca 0.12 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3iv5 h LEU 92 Cb 0.62 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3iv5 h LEU 92 CO 0.04 0.83 -0.51 0.50 0.09 0.00 0.00 178.44 179.39 3iv5 h LYS 93 N 0.56 0.79 -0.39 1.13 1.63 -0.95 0.10 116.57 119.44 3iv5 h LYS 93 Ca 0.09 -0.47 0.08 0.00 -0.85 0.00 0.00 60.65 59.49 3iv5 h LYS 93 Cb 0.65 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 3iv5 h LYS 93 CO 0.05 1.10 0.27 -0.22 -3.45 0.00 0.00 179.45 177.20 3iv5 h LYS 94 N 0.61 0.18 -0.37 1.90 3.64 -0.76 -1.00 116.57 120.78 3iv5 h LYS 94 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3iv5 h LYS 94 Cb 1.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3iv5 h LYS 94 CO 0.11 0.12 0.00 0.66 -2.27 0.00 0.00 179.45 178.07 3iv5 n TYR 95 N -4.46 0.68 -2.85 1.91 4.01 -0.99 -4.97 117.16 110.48 3iv5 n TYR 95 Ca 0.05 -0.60 -0.18 0.00 -0.16 0.00 0.00 57.90 57.01 3iv5 n TYR 95 Cb 0.32 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3iv5 n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iv5 n GLY 96 N 0.37 -0.50 3.11 2.72 0.00 -0.38 -4.90 105.19 105.62 3iv5 n GLY 96 Ca 0.16 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3iv5 n GLY 96 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3iv5 n MET 97 N -3.34 3.17 0.00 1.61 0.00 0.28 -5.01 117.12 113.82 3iv5 n MET 97 Ca -0.10 -4.50 0.00 0.00 0.00 0.00 0.00 57.70 53.10 3iv5 n MET 97 Cb 0.59 -2.45 0.00 0.00 0.00 0.00 0.00 33.22 31.36 3iv5 n MET 97 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24