#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv5 s PHE 2 N 0.00 3.48 0.16 1.12 2.99 -1.26 -5.04 117.98 119.42 3iv5 s PHE 2 Ca 0.00 0.96 -0.23 0.00 0.00 0.00 0.00 56.93 57.65 3iv5 s PHE 2 Cb 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 43.02 40.26 3iv5 s PHE 2 CO 0.00 0.03 0.73 -1.21 -0.00 0.00 0.00 175.22 174.78 3iv5 s GLU 3 N 1.10 4.45 0.25 0.44 2.02 -1.26 -4.99 118.70 120.71 3iv5 s GLU 3 Ca 0.29 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 56.01 3iv5 s GLU 3 Cb -0.16 -3.20 -0.11 0.00 0.10 0.00 0.00 34.13 30.76 3iv5 s GLU 3 CO 0.12 0.56 1.57 -1.14 0.02 0.00 0.00 175.26 176.38 3iv5 s GLN 4 N -1.27 4.17 -0.22 1.61 0.74 -1.26 -4.98 119.66 118.45 3iv5 s GLN 4 Ca 0.36 2.48 0.02 0.00 0.05 0.00 0.00 55.36 58.26 3iv5 s GLN 4 Cb -0.21 -3.07 0.04 0.00 1.10 0.00 0.00 33.01 30.87 3iv5 s GLN 4 CO 0.24 -0.59 -0.15 0.50 -0.55 0.00 0.00 175.29 174.74 3iv5 s ARG 5 N -0.02 2.57 0.62 1.67 3.52 -1.26 -5.11 118.95 120.94 3iv5 s ARG 5 Ca 0.65 -1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 3iv5 s ARG 5 Cb -0.46 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3iv5 s ARG 5 CO 0.42 -0.41 1.03 0.14 -0.81 0.00 0.00 175.30 175.67 3iv5 s VAL 6 N 1.19 4.64 0.29 7.11 -7.23 -1.26 -4.90 120.40 120.24 3iv5 s VAL 6 Ca -0.03 0.88 0.03 0.00 -1.81 0.00 0.00 61.98 61.06 3iv5 s VAL 6 Cb -0.17 -3.82 0.29 0.00 0.56 0.00 0.00 36.38 33.24 3iv5 s VAL 6 CO -0.09 -1.09 1.83 0.78 -0.31 0.00 0.00 175.10 176.22 3iv5 h ASN 7 N -0.26 0.88 0.19 4.85 -0.26 -2.02 0.06 115.58 119.01 3iv5 h ASN 7 Ca -0.44 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 3iv5 h ASN 7 Cb 1.19 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 3iv5 h ASN 7 CO 0.62 0.43 0.00 -1.54 -1.06 0.00 0.00 177.43 175.88 3iv5 n SER 8 N -4.64 0.08 -0.40 5.81 3.41 -1.26 -2.33 113.62 114.29 3iv5 n SER 8 Ca 0.20 0.53 0.04 0.00 -0.26 0.00 0.00 58.87 59.38 3iv5 n SER 8 Cb 0.41 -0.54 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 3iv5 n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iv5 n ASP 9 N -1.60 2.10 0.02 4.04 2.03 0.00 -4.27 116.55 118.87 3iv5 n ASP 9 Ca 0.01 -1.61 -0.18 0.00 0.52 0.00 0.00 54.79 53.53 3iv5 n ASP 9 Cb 0.07 -0.07 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 3iv5 n ASP 9 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3iv5 h VAL 10 N 1.63 1.39 -3.68 5.18 2.07 -1.40 -3.42 116.25 118.03 3iv5 h VAL 10 Ca 0.00 -2.14 -0.69 0.00 0.82 0.00 0.00 66.70 64.69 3iv5 h VAL 10 Cb 0.48 2.56 -0.29 0.00 -1.52 0.00 0.00 31.29 32.52 3iv5 h VAL 10 CO 0.00 0.63 -0.63 -0.76 0.02 0.00 0.00 177.57 176.83 3iv5 s LEU 11 N -8.26 4.14 0.32 2.57 1.43 -1.26 -5.09 118.68 112.52 3iv5 s LEU 11 Ca -0.12 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 51.91 3iv5 s LEU 11 Cb 0.04 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3iv5 s LEU 11 CO 0.85 -0.29 0.12 0.42 0.23 0.00 0.00 176.35 177.68 3iv5 s THR 12 N 1.39 0.58 -0.08 5.49 -4.23 -1.26 -1.02 115.64 116.51 3iv5 s THR 12 Ca -0.02 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3iv5 s THR 12 Cb -0.19 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.13 3iv5 s THR 12 CO 0.02 0.00 0.17 -0.69 -0.54 0.00 0.00 174.62 173.58 3iv5 s VAL 13 N -3.52 -0.15 0.14 2.29 1.01 0.27 -4.82 120.40 115.62 3iv5 s VAL 13 Ca 0.34 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 3iv5 s VAL 13 Cb 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 36.38 36.04 3iv5 s VAL 13 CO 0.16 0.10 1.82 -0.44 0.00 0.00 0.00 175.10 176.74 3iv5 s SER 14 N 1.66 6.41 0.45 3.32 0.01 -1.26 -1.37 113.70 122.91 3iv5 s SER 14 Ca -0.04 2.79 0.03 0.00 1.31 0.00 0.00 55.95 60.04 3iv5 s SER 14 Cb -0.12 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 3iv5 s SER 14 CO -0.06 -1.00 0.04 0.42 0.41 0.00 0.00 173.24 173.05 3iv5 s THR 15 N 2.47 1.11 -0.07 1.44 -4.23 0.19 -4.93 115.64 111.62 3iv5 s THR 15 Ca 0.80 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 3iv5 s THR 15 Cb -0.47 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.00 3iv5 s THR 15 CO 0.36 0.00 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.59 3iv5 s VAL 16 N -2.99 1.39 0.55 2.29 1.01 -1.26 -1.85 120.40 119.54 3iv5 s VAL 16 Ca 0.17 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3iv5 s VAL 16 Cb 0.04 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.25 3iv5 s VAL 16 CO 0.09 0.41 0.76 0.54 0.00 0.00 0.00 175.10 176.90 3iv5 s ASN 17 N 0.52 5.18 0.62 3.32 2.20 -1.10 -4.90 114.94 120.79 3iv5 s ASN 17 Ca -0.15 -0.68 0.24 0.00 -0.94 0.00 0.00 52.86 51.33 3iv5 s ASN 17 Cb -0.16 0.00 1.11 0.00 -2.00 0.00 0.00 41.25 40.20 3iv5 s ASN 17 CO 0.05 -1.24 1.59 0.77 -2.94 0.00 0.00 177.10 175.33 3iv5 h SER 18 N 0.23 0.00 -0.72 3.54 4.64 -2.01 0.44 113.55 119.67 3iv5 h SER 18 Ca -0.33 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.66 3iv5 h SER 18 Cb 1.28 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.18 3iv5 h SER 18 CO 0.42 0.00 0.33 0.00 -0.87 0.00 0.00 176.83 176.71 3iv5 n GLN 19 N -3.19 2.45 -3.95 4.77 3.00 -1.26 -4.97 117.38 114.23 3iv5 n GLN 19 Ca 0.09 -3.07 -0.42 0.00 -0.01 0.00 0.00 57.00 53.58 3iv5 n GLN 19 Cb 0.89 -2.06 0.03 0.00 0.00 0.00 0.00 30.24 29.10 3iv5 n GLN 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3iv5 n ASP 20 N -0.92 -4.55 -3.81 1.08 8.00 0.15 -4.96 116.55 111.55 3iv5 n ASP 20 Ca 0.46 -1.21 -0.17 0.00 0.71 0.00 0.00 54.79 54.58 3iv5 n ASP 20 Cb 1.39 -2.21 -0.16 0.00 -0.02 0.00 0.00 41.12 40.12 3iv5 n ASP 20 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3iv5 s GLN 21 N -6.96 0.29 0.01 -1.24 2.00 -1.25 -4.92 119.66 107.58 3iv5 s GLN 21 Ca 0.49 0.08 -0.29 0.00 -2.00 0.00 0.00 55.36 53.64 3iv5 s GLN 21 Cb -0.24 -0.47 -0.04 0.00 0.80 0.00 0.00 33.01 33.06 3iv5 s GLN 21 CO 0.94 -0.14 0.93 0.08 -0.50 0.00 0.00 175.29 176.60 3iv5 s VAL 22 N 1.03 4.83 0.05 1.34 1.01 -1.26 -2.71 120.40 124.70 3iv5 s VAL 22 Ca -0.10 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 63.71 3iv5 s VAL 22 Cb -0.13 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.99 3iv5 s VAL 22 CO -0.02 0.20 0.32 0.28 0.00 0.00 0.00 175.10 175.89 3iv5 s THR 23 N 0.79 0.08 0.04 3.92 -1.32 -0.77 -4.97 115.64 113.41 3iv5 s THR 23 Ca 0.49 -0.67 -0.19 0.00 -1.21 0.00 0.00 61.69 60.10 3iv5 s THR 23 Cb -0.21 -0.99 -0.06 0.00 -1.51 0.00 0.00 72.50 69.73 3iv5 s THR 23 CO 0.27 -0.37 0.56 -1.10 -2.21 0.00 0.00 174.62 171.76 3iv5 s GLN 24 N -2.76 4.20 0.03 7.08 -1.52 -1.26 0.57 119.66 126.00 3iv5 s GLN 24 Ca -0.03 0.69 0.03 0.00 -1.95 0.00 0.00 55.36 54.10 3iv5 s GLN 24 Cb -0.00 -3.27 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 3iv5 s GLN 24 CO -0.05 0.57 -0.09 0.15 -0.25 0.00 0.00 175.29 175.62 3iv5 s LYS 25 N -0.84 0.65 0.58 2.91 1.02 -0.47 -4.89 119.74 118.69 3iv5 s LYS 25 Ca 0.29 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 3iv5 s LYS 25 Cb -0.19 -0.56 -0.07 0.00 -0.52 0.00 0.00 37.83 36.49 3iv5 s LYS 25 CO 0.18 0.13 0.72 -2.30 -0.92 0.00 0.00 175.35 173.16 3iv5 n PRO 26 N 2.00 0.69 -0.06 -1.68 -0.02 -1.26 -0.57 135.00 134.10 3iv5 n PRO 26 Ca -0.18 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3iv5 n PRO 26 Cb 0.56 -1.90 0.29 0.00 -0.02 0.00 0.00 33.50 32.43 3iv5 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iv5 h LEU 27 N 0.38 0.60 -0.91 2.45 5.85 -1.28 -2.14 115.31 120.26 3iv5 h LEU 27 Ca -0.47 -0.08 0.24 0.00 0.84 0.00 0.00 57.88 58.41 3iv5 h LEU 27 Cb 1.38 -0.15 -0.17 0.00 0.37 0.00 0.00 40.66 42.09 3iv5 h LEU 27 CO 0.49 0.57 -0.03 0.54 -0.34 0.00 0.00 178.44 179.67 3iv5 n ARG 28 N -4.33 -0.07 -0.08 1.25 1.74 -1.26 -0.86 116.66 113.05 3iv5 n ARG 28 Ca 0.03 1.37 -0.05 0.00 -0.77 0.00 0.00 57.85 58.43 3iv5 n ARG 28 Cb 0.18 -2.15 0.15 0.00 -1.02 0.00 0.00 32.46 29.61 3iv5 n ARG 28 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3iv5 h ASP 29 N 0.00 0.71 -0.63 0.55 3.32 -1.74 -0.81 116.42 117.81 3iv5 h ASP 29 Ca 0.53 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3iv5 h ASP 29 Cb 1.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3iv5 h ASP 29 CO -0.87 0.85 0.38 0.28 -1.72 0.00 0.00 179.24 178.16 3iv5 h SER 30 N 0.65 0.76 -0.58 6.45 0.02 -1.06 -0.59 113.55 119.21 3iv5 h SER 30 Ca 0.11 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3iv5 h SER 30 Cb 0.57 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3iv5 h SER 30 CO 0.04 0.60 0.09 0.58 -1.14 0.00 0.00 176.83 177.00 3iv5 h VAL 31 N 0.86 1.26 -0.20 2.27 2.07 -1.08 -0.21 116.25 121.22 3iv5 h VAL 31 Ca 0.23 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3iv5 h VAL 31 Cb -0.02 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3iv5 h VAL 31 CO -0.04 0.36 -0.11 0.11 0.02 0.00 0.00 177.57 177.91 3iv5 h LYS 32 N 0.87 -0.09 -0.39 1.57 1.57 -0.57 -2.60 116.57 116.94 3iv5 h LYS 32 Ca 0.18 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3iv5 h LYS 32 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3iv5 h LYS 32 CO 0.01 -0.06 0.03 0.37 -0.57 0.00 0.00 179.45 179.23 3iv5 h GLN 33 N -0.09 0.66 -0.96 3.15 4.15 -0.79 0.84 115.11 122.07 3iv5 h GLN 33 Ca 0.11 -0.20 0.16 0.00 0.77 0.00 0.00 58.65 59.49 3iv5 h GLN 33 Cb 0.26 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 27.78 3iv5 h GLN 33 CO -0.26 0.74 0.58 0.00 -1.93 0.00 0.00 178.83 177.96 3iv5 h ALA 34 N 0.89 1.52 0.20 3.38 0.00 -0.86 -0.74 119.26 123.65 3iv5 h ALA 34 Ca 0.11 0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3iv5 h ALA 34 Cb 0.43 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3iv5 h ALA 34 CO 0.01 0.04 -1.21 -0.07 0.00 0.00 0.00 179.25 178.02 3iv5 h LEU 35 N 0.81 0.66 -0.60 0.00 3.38 -1.19 -1.05 115.31 117.32 3iv5 h LEU 35 Ca 0.52 -0.93 0.12 0.00 0.09 0.00 0.00 57.88 57.68 3iv5 h LEU 35 Cb 0.70 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 3iv5 h LEU 35 CO -0.34 1.58 0.02 0.50 0.09 0.00 0.00 178.44 180.29 3iv5 h LYS 36 N -0.10 0.13 -0.17 1.13 3.64 -0.30 0.62 116.57 121.52 3iv5 h LYS 36 Ca -0.22 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 3iv5 h LYS 36 Cb 1.92 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 3iv5 h LYS 36 CO 0.21 0.09 -0.62 -0.97 -2.27 0.00 0.00 179.45 175.89 3iv5 h ASN 37 N 0.13 0.69 -0.08 4.20 -1.24 -1.21 -2.58 115.58 115.48 3iv5 h ASN 37 Ca 0.31 -0.39 0.04 0.00 0.71 0.00 0.00 56.30 56.97 3iv5 h ASN 37 Cb 0.50 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.30 3iv5 h ASN 37 CO -0.50 1.14 -0.18 0.22 -1.29 0.00 0.00 177.43 176.82 3iv5 h TYR 38 N 0.45 -0.47 -0.45 0.67 5.03 -0.32 -2.78 116.97 119.09 3iv5 h TYR 38 Ca -0.01 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.36 3iv5 h TYR 38 Cb 1.19 0.22 -0.04 0.00 1.55 0.00 0.00 36.73 39.65 3iv5 h TYR 38 CO 0.05 -0.26 0.24 0.74 -1.32 0.00 0.00 178.16 177.61 3iv5 h PHE 39 N -0.25 0.44 -0.43 -3.82 0.04 -0.81 -2.57 116.94 109.55 3iv5 h PHE 39 Ca 0.08 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.96 3iv5 h PHE 39 Cb 0.37 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.30 3iv5 h PHE 39 CO -0.27 0.23 -0.19 0.00 -0.60 0.00 0.00 178.31 177.48 3iv5 h ALA 40 N 1.23 0.14 0.00 2.45 0.00 -1.38 -1.07 119.26 120.63 3iv5 h ALA 40 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3iv5 h ALA 40 Cb 0.08 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iv5 h ALA 40 CO -0.12 -0.54 0.08 1.04 0.00 0.00 0.00 179.25 179.71 3iv5 n GLN 41 N -5.38 0.09 -2.62 0.00 6.02 -0.98 -4.38 117.38 110.13 3iv5 n GLN 41 Ca 0.03 0.57 -0.41 0.00 -0.01 0.00 0.00 57.00 57.17 3iv5 n GLN 41 Cb 0.29 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 3iv5 n GLN 41 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iv5 s LEU 42 N -3.96 3.73 -0.70 1.08 1.02 -0.41 -4.88 118.68 114.57 3iv5 s LEU 42 Ca -0.02 -1.52 0.05 0.00 0.02 0.00 0.00 54.13 52.67 3iv5 s LEU 42 Cb 0.04 -2.54 0.23 0.00 0.02 0.00 0.00 46.19 43.94 3iv5 s LEU 42 CO 0.12 -1.45 0.73 0.59 0.02 0.00 0.00 176.35 176.37 3iv5 n ASN 43 N 8.54 3.78 -2.70 2.29 3.02 -1.26 -4.56 115.26 124.38 3iv5 n ASN 43 Ca 0.31 -3.38 -0.08 0.00 -0.03 0.00 0.00 54.58 51.41 3iv5 n ASN 43 Cb 0.51 -0.75 0.10 0.00 -0.61 0.00 0.00 39.78 39.03 3iv5 n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iv5 n GLY 44 N 1.20 1.37 3.45 7.41 0.00 -1.26 -5.16 105.19 112.21 3iv5 n GLY 44 Ca 0.27 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3iv5 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iv5 n GLN 45 N -0.45 -2.71 -3.30 1.61 0.00 -1.26 -5.03 117.38 106.23 3iv5 n GLN 45 Ca 0.00 -1.75 -0.32 0.00 0.00 0.00 0.00 57.00 54.94 3iv5 n GLN 45 Cb 0.84 -1.53 -0.05 0.00 0.00 0.00 0.00 30.24 29.50 3iv5 n GLN 45 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 3iv5 s ASP 46 N -4.62 6.65 0.00 2.61 -4.77 -1.26 -5.03 116.67 110.26 3iv5 s ASP 46 Ca 0.69 1.01 0.08 0.00 -3.30 0.00 0.00 52.55 51.04 3iv5 s ASP 46 Cb -0.06 -2.26 -0.02 0.00 -1.09 0.00 0.00 42.92 39.48 3iv5 s ASP 46 CO 0.52 -0.14 -0.25 -0.69 0.70 0.00 0.00 175.17 175.31 3iv5 s VAL 47 N -1.91 2.17 0.00 2.11 1.01 -1.26 -5.04 120.40 117.48 3iv5 s VAL 47 Ca 0.49 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3iv5 s VAL 47 Cb -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3iv5 s VAL 47 CO 0.21 0.49 0.56 -0.46 0.00 0.00 0.00 175.10 175.91 3iv5 n ASN 48 N 2.15 0.50 -2.35 3.32 0.23 -1.26 -4.87 115.26 112.98 3iv5 n ASN 48 Ca -0.16 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 3iv5 n ASN 48 Cb 0.51 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.26 3iv5 n ASN 48 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3iv5 n ASP 49 N -0.12 0.77 0.04 0.53 5.68 -1.26 -4.93 116.55 117.27 3iv5 n ASP 49 Ca 0.00 -2.04 -0.03 0.00 -0.50 0.00 0.00 54.79 52.21 3iv5 n ASP 49 Cb 0.40 -0.20 0.21 0.00 -1.14 0.00 0.00 41.12 40.39 3iv5 n ASP 49 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3iv5 h LEU 50 N 1.77 0.41 0.38 -2.12 5.85 -1.99 -0.63 115.31 118.98 3iv5 h LEU 50 Ca -0.24 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3iv5 h LEU 50 Cb 1.44 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3iv5 h LEU 50 CO 0.07 0.71 -0.18 0.22 -0.34 0.00 0.00 178.44 178.92 3iv5 h TYR 51 N 0.35 -0.47 -0.96 1.25 3.20 -1.99 -2.29 116.97 116.05 3iv5 h TYR 51 Ca 0.04 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.00 3iv5 h TYR 51 Cb 0.73 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 3iv5 h TYR 51 CO 0.02 -0.14 0.60 1.49 -1.64 0.00 0.00 178.16 178.49 3iv5 h GLU 52 N -0.86 0.97 -0.50 1.82 4.57 -1.95 0.15 114.58 118.79 3iv5 h GLU 52 Ca -0.05 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3iv5 h GLU 52 Cb 0.54 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3iv5 h GLU 52 CO 0.09 0.64 0.23 1.25 -1.18 0.00 0.00 179.01 180.04 3iv5 h LEU 53 N 1.00 0.31 0.20 1.64 5.85 -1.02 -1.31 115.31 121.97 3iv5 h LEU 53 Ca 0.45 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.20 3iv5 h LEU 53 Cb 0.36 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3iv5 h LEU 53 CO -0.23 0.22 -0.10 0.58 -0.34 0.00 0.00 178.44 178.57 3iv5 h VAL 54 N 0.45 0.82 -1.06 1.05 2.07 -0.80 -3.05 116.25 115.73 3iv5 h VAL 54 Ca 0.22 -0.97 0.28 0.00 0.82 0.00 0.00 66.70 67.06 3iv5 h VAL 54 Cb 0.16 1.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.15 3iv5 h VAL 54 CO -0.18 0.19 0.67 0.25 0.02 0.00 0.00 177.57 178.52 3iv5 h LEU 55 N -0.81 0.48 -0.27 2.57 5.85 -0.56 0.22 115.31 122.79 3iv5 h LEU 55 Ca -0.03 0.11 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 3iv5 h LEU 55 Cb 0.52 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3iv5 h LEU 55 CO 0.04 0.05 -0.68 0.00 -0.34 0.00 0.00 178.44 177.51 3iv5 h ALA 56 N 1.66 0.43 0.00 1.25 0.00 -1.30 0.29 119.26 121.59 3iv5 h ALA 56 Ca 0.64 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iv5 h ALA 56 Cb 1.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3iv5 h ALA 56 CO -0.37 0.69 0.00 1.49 0.00 0.00 0.00 179.25 181.07 3iv5 h GLU 57 N 0.54 0.00 0.00 0.00 4.57 -0.48 -2.89 114.58 116.32 3iv5 h GLU 57 Ca -0.02 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.92 3iv5 h GLU 57 Cb 1.29 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 3iv5 h GLU 57 CO 0.14 0.00 -1.87 0.28 -1.18 0.00 0.00 179.01 176.38 3iv5 n VAL 58 N -2.89 0.87 -0.30 0.32 0.31 -0.82 -4.45 118.33 111.37 3iv5 n VAL 58 Ca -0.02 -0.31 0.03 0.00 -0.01 0.00 0.00 64.34 64.03 3iv5 n VAL 58 Cb 0.13 -1.15 0.17 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.10 0.80 0.30 5.55 5.08 -0.45 -2.84 114.58 122.93 3iv5 h GLU 59 Ca -0.35 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3iv5 h GLU 59 Cb 1.49 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3iv5 h GLU 59 CO -0.09 0.53 -0.50 0.37 -1.00 0.00 0.00 179.01 178.32 3iv5 h GLN 60 N 0.82 -0.82 -0.57 2.33 4.15 -1.74 -0.77 115.11 118.51 3iv5 h GLN 60 Ca 0.40 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.86 3iv5 h GLN 60 Cb 0.35 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3iv5 h GLN 60 CO -0.24 -0.55 0.31 -1.35 -1.93 0.00 0.00 178.83 175.07 3iv5 h PRO 61 N -0.85 0.79 -0.18 -2.39 0.11 -1.77 -0.19 132.00 127.51 3iv5 h PRO 61 Ca -0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3iv5 h PRO 61 Cb 0.79 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3iv5 h PRO 61 CO -0.17 0.58 0.08 1.25 -0.21 0.00 0.00 178.00 179.53 3iv5 h LEU 62 N 0.79 0.24 -0.40 2.35 5.85 -1.23 0.52 115.31 123.43 3iv5 h LEU 62 Ca 0.20 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3iv5 h LEU 62 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3iv5 h LEU 62 CO -0.03 0.32 0.06 -0.07 -0.34 0.00 0.00 178.44 178.38 3iv5 h LEU 63 N 0.14 0.63 0.15 2.25 3.38 -0.91 -1.23 115.31 119.72 3iv5 h LEU 63 Ca 0.06 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3iv5 h LEU 63 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3iv5 h LEU 63 CO -0.01 0.74 -0.38 -0.78 0.09 0.00 0.00 178.44 178.10 3iv5 h ASP 64 N 0.51 -1.09 -0.53 -0.43 1.82 -0.84 -0.25 116.42 115.61 3iv5 h ASP 64 Ca 0.12 0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.83 3iv5 h ASP 64 Cb 0.37 0.41 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 3iv5 h ASP 64 CO 0.01 -0.46 0.15 -0.03 -1.61 0.00 0.00 179.24 177.29 3iv5 h MET 65 N -0.63 0.84 -0.49 0.28 4.05 -0.83 -1.13 114.93 117.02 3iv5 h MET 65 Ca 0.02 -0.19 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 3iv5 h MET 65 Cb 0.64 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 3iv5 h MET 65 CO -0.20 0.79 -0.04 0.28 0.23 0.00 0.00 176.91 177.97 3iv5 h VAL 66 N 0.74 1.25 -0.60 -5.77 2.07 -0.93 0.91 116.25 113.93 3iv5 h VAL 66 Ca 0.17 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 3iv5 h VAL 66 Cb 0.31 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3iv5 h VAL 66 CO -0.00 0.38 0.08 0.24 0.02 0.00 0.00 177.57 178.29 3iv5 h MET 67 N 0.77 1.01 -0.43 1.57 2.86 -0.67 -0.06 114.93 119.98 3iv5 h MET 67 Ca 0.14 -0.28 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3iv5 h MET 67 Cb 0.52 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 3iv5 h MET 67 CO 0.03 0.96 0.18 1.96 1.06 0.00 0.00 176.91 181.10 3iv5 h GLN 68 N 0.91 0.36 -0.76 1.72 4.20 -0.61 0.60 115.11 121.53 3iv5 h GLN 68 Ca 0.18 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3iv5 h GLN 68 Cb 0.45 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3iv5 h GLN 68 CO 0.02 0.24 0.31 -0.92 -0.67 0.00 0.00 178.83 177.80 3iv5 h TYR 69 N 0.38 1.15 -0.43 2.96 3.20 -0.36 -2.03 116.97 121.83 3iv5 h TYR 69 Ca 0.19 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3iv5 h TYR 69 Cb 0.14 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3iv5 h TYR 69 CO -0.13 0.87 0.00 0.25 -1.64 0.00 0.00 178.16 177.51 3iv5 n THR 70 N -4.28 0.98 -4.15 1.81 -2.24 -0.08 -4.93 114.28 101.39 3iv5 n THR 70 Ca 0.07 -0.70 -0.32 0.00 -2.27 0.00 0.00 64.05 60.83 3iv5 n THR 70 Cb 0.18 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 3iv5 n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iv5 n ARG 71 N 0.70 -1.54 -0.61 -0.78 1.74 -0.28 -1.20 116.66 114.69 3iv5 n ARG 71 Ca 0.16 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3iv5 n ARG 71 Cb 0.54 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.24 3iv5 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iv5 n GLY 72 N -2.30 1.39 3.55 -0.13 0.00 0.05 -4.98 105.19 102.77 3iv5 n GLY 72 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.20 6.25 0.43 1.61 3.84 -0.34 -4.86 114.94 118.67 3iv5 s ASN 73 Ca 0.00 -0.74 0.10 0.00 0.21 0.00 0.00 52.86 52.43 3iv5 s ASN 73 Cb 0.00 -2.56 0.96 0.00 -0.55 0.00 0.00 41.25 39.10 3iv5 s ASN 73 CO 0.00 -1.75 2.06 1.56 -2.79 0.00 0.00 177.10 176.18 3iv5 h GLN 74 N 9.99 0.42 -0.07 0.43 4.20 -1.94 -1.81 115.11 126.34 3iv5 h GLN 74 Ca -0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3iv5 h GLN 74 Cb 1.04 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 3iv5 h GLN 74 CO 1.32 0.28 0.00 1.15 -0.67 0.00 0.00 178.83 180.92 3iv5 h THR 75 N 0.43 1.24 -0.25 -0.54 2.02 -1.97 -1.06 112.91 112.78 3iv5 h THR 75 Ca 0.15 -0.75 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 3iv5 h THR 75 Cb 0.07 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3iv5 h THR 75 CO -0.03 0.21 -0.33 0.03 0.37 0.00 0.00 175.52 175.76 3iv5 h ARG 76 N -0.15 0.52 0.38 6.66 3.08 -1.90 -2.28 114.38 120.70 3iv5 h ARG 76 Ca 0.02 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3iv5 h ARG 76 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3iv5 h ARG 76 CO 0.00 0.79 -0.18 0.00 -1.07 0.00 0.00 179.97 179.51 3iv5 h ALA 77 N 1.20 -0.51 -0.92 0.04 0.00 -1.13 0.20 119.26 118.14 3iv5 h ALA 77 Ca 0.05 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3iv5 h ALA 77 Cb 0.79 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3iv5 h ALA 77 CO 0.06 -0.75 0.59 0.00 0.00 0.00 0.00 179.25 179.15 3iv5 h ALA 78 N 0.03 1.66 0.07 0.00 0.00 -1.15 0.23 119.26 120.09 3iv5 h ALA 78 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iv5 h ALA 78 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iv5 h ALA 78 CO 0.09 0.12 -0.03 -0.07 0.00 0.00 0.00 179.25 179.35 3iv5 h LEU 79 N 0.86 -0.08 -0.85 0.00 3.38 -0.82 -1.02 115.31 116.79 3iv5 h LEU 79 Ca 0.45 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iv5 h LEU 79 Cb 0.53 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3iv5 h LEU 79 CO -0.21 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3iv5 h MET 80 N -0.44 0.00 0.00 1.13 -0.00 -0.08 -2.61 114.93 112.93 3iv5 h MET 80 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.64 3iv5 h MET 80 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 3iv5 h MET 80 CO 0.02 0.00 -1.25 -1.33 -0.00 0.00 0.00 176.91 174.34 3iv5 n MET 81 N -2.39 0.62 -1.12 -0.10 2.81 0.02 -4.97 117.12 111.98 3iv5 n MET 81 Ca 0.02 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3iv5 n MET 81 Cb 0.24 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 3iv5 n MET 81 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iv5 n GLY 82 N 1.26 0.50 3.42 3.03 0.00 -0.43 -5.07 105.19 107.90 3iv5 n GLY 82 Ca -0.04 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 2.23 0.47 -0.61 -4.36 -0.93 -5.06 121.20 110.94 3iv5 s ILE 83 Ca 0.00 -2.26 -0.24 0.00 -0.26 0.00 0.00 60.65 57.89 3iv5 s ILE 83 Cb 0.00 -2.17 -0.08 0.00 1.25 0.00 0.00 42.46 41.46 3iv5 s ILE 83 CO 0.00 -0.39 1.32 -3.20 0.24 0.00 0.00 174.94 172.91 3iv5 n ASN 84 N -0.33 2.71 0.28 4.36 2.85 -1.26 -4.40 115.26 119.48 3iv5 n ASN 84 Ca -0.08 1.07 0.15 0.00 -0.11 0.00 0.00 54.58 55.61 3iv5 n ASN 84 Cb 0.59 -1.54 0.82 0.00 1.24 0.00 0.00 39.78 40.89 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 1.93 0.00 -0.10 1.20 2.43 -1.91 -1.65 114.38 116.27 3iv5 h ARG 85 Ca -0.49 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 3iv5 h ARG 85 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3iv5 h ARG 85 CO 0.59 0.07 -0.34 0.78 -1.51 0.00 0.00 179.97 179.57 3iv5 h GLY 86 N 0.85 0.45 1.55 2.80 0.00 -1.98 -1.53 103.07 105.21 3iv5 h GLY 86 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 3iv5 h GLY 86 CO 0.01 0.53 -0.20 -0.91 0.00 0.00 0.00 176.54 175.97 3iv5 h THR 87 N -0.02 1.25 -0.33 4.70 1.35 -1.75 -1.60 112.91 116.51 3iv5 h THR 87 Ca -0.01 -1.18 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 3iv5 h THR 87 Cb 0.96 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3iv5 h THR 87 CO 0.07 0.38 0.13 0.25 -0.25 0.00 0.00 175.52 176.11 3iv5 h LEU 88 N 0.47 0.46 -0.66 3.87 5.85 -1.30 0.18 115.31 124.19 3iv5 h LEU 88 Ca 0.08 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3iv5 h LEU 88 Cb 0.61 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3iv5 h LEU 88 CO 0.04 0.50 0.35 0.03 -0.34 0.00 0.00 178.44 179.02 3iv5 h ARG 89 N 0.39 0.62 -0.19 1.25 3.08 -0.89 -0.20 114.38 118.43 3iv5 h ARG 89 Ca 0.11 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 3iv5 h ARG 89 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3iv5 h ARG 89 CO -0.01 0.41 -0.47 1.57 -1.07 0.00 0.00 179.97 180.40 3iv5 h LYS 90 N 0.64 0.50 -0.05 0.04 2.10 -0.57 -0.38 116.57 118.85 3iv5 h LYS 90 Ca 0.30 -0.28 0.01 0.00 -2.00 0.00 0.00 60.65 58.68 3iv5 h LYS 90 Cb 0.22 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 3iv5 h LYS 90 CO -0.20 0.86 -0.02 0.87 -2.00 0.00 0.00 179.45 178.97 3iv5 h LYS 91 N 0.40 -0.01 -1.00 0.07 1.57 -0.12 0.19 116.57 117.67 3iv5 h LYS 91 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3iv5 h LYS 91 Cb 0.98 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 3iv5 h LYS 91 CO 0.09 -0.00 0.66 -0.07 -0.57 0.00 0.00 179.45 179.55 3iv5 h LEU 92 N -0.01 1.12 0.19 2.94 3.38 -0.64 -1.26 115.31 121.03 3iv5 h LEU 92 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3iv5 h LEU 92 Cb 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3iv5 h LEU 92 CO -0.05 0.78 -0.12 0.50 0.09 0.00 0.00 178.44 179.64 3iv5 h LYS 93 N 1.31 -0.29 -1.35 1.13 3.64 -0.75 0.29 116.57 120.54 3iv5 h LYS 93 Ca 0.39 0.02 0.40 0.00 -1.27 0.00 0.00 60.65 60.18 3iv5 h LYS 93 Cb -0.07 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3iv5 h LYS 93 CO -0.11 -0.19 0.94 -0.22 -2.27 0.00 0.00 179.45 177.60 3iv5 h LYS 94 N -0.30 0.09 -0.23 1.90 3.64 0.22 0.96 116.57 122.84 3iv5 h LYS 94 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3iv5 h LYS 94 Cb 0.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3iv5 h LYS 94 CO 0.02 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 3iv5 n TYR 95 N -4.32 0.51 -3.64 1.91 4.01 -0.89 -4.97 117.16 109.77 3iv5 n TYR 95 Ca 0.32 -0.68 -0.23 0.00 -0.16 0.00 0.00 57.90 57.15 3iv5 n TYR 95 Cb 1.38 -0.14 0.06 0.00 -0.31 0.00 0.00 39.34 40.33 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 -0.18 -0.43 2.84 2.72 0.00 0.33 -4.93 105.19 105.54 3iv5 n GLY 96 Ca 0.14 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 3iv5 n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iv5 n MET 97 N -4.53 3.63 0.00 1.61 2.81 0.90 -5.02 117.12 116.53 3iv5 n MET 97 Ca -0.14 -4.59 0.00 0.00 -1.81 0.00 0.00 57.70 51.17 3iv5 n MET 97 Cb 0.61 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 3iv5 n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75