#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n LEU 7 N 0.00 0.00 0.00 0.99 7.99 -1.26 -5.15 117.00 119.57 3i9c n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i9c n LEU 7 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i9c n LEU 7 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 3i9c n GLY 8 N 4.92 0.12 1.95 -0.72 0.00 -1.26 -4.92 105.19 105.29 3i9c n GLY 8 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i9c n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i9c n SER 9 N 0.00 -0.52 -1.63 1.61 2.88 -1.26 -4.26 113.62 110.43 3i9c n SER 9 Ca 0.00 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3i9c n SER 9 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 3i9c n SER 9 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3i9c n THR 10 N -1.38 -2.57 -1.49 2.46 5.66 -1.26 -4.96 114.28 110.75 3i9c n THR 10 Ca 0.02 0.76 0.06 0.00 -3.05 0.00 0.00 64.05 61.85 3i9c n THR 10 Cb 0.17 -1.38 0.11 0.00 -1.55 0.00 0.00 70.33 67.69 3i9c n THR 10 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3i9c n ARG 11 N 1.21 0.93 0.00 1.09 1.85 -1.26 -5.00 116.66 115.47 3i9c n ARG 11 Ca 0.00 -2.28 0.00 0.00 -1.00 0.00 0.00 57.85 54.57 3i9c n ARG 11 Cb 0.00 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3i9c n ARG 11 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i9c n ASN 12 N -0.89 0.00 -2.31 2.89 3.02 -1.26 -4.98 115.26 111.73 3i9c n ASN 12 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 3i9c n ASN 12 Cb 0.70 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.92 3i9c n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i9c n GLY 13 N 5.00 0.07 3.47 7.41 0.00 -1.26 -5.05 105.19 114.82 3i9c n GLY 13 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3i9c n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9c s ARG 14 N -5.55 1.67 0.00 1.61 0.52 -1.26 -5.15 118.95 110.79 3i9c s ARG 14 Ca 0.27 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 3i9c s ARG 14 Cb -0.12 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.35 3i9c s ARG 14 CO 0.42 -0.13 0.00 -3.47 0.02 0.00 0.00 175.30 172.13 3i9c n ASP 15 N -0.70 0.00 -4.71 0.23 2.03 -1.26 -5.17 116.55 106.98 3i9c n ASP 15 Ca -0.03 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.01 3i9c n ASP 15 Cb 0.66 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.99 3i9c n ASP 15 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i9c s SER 16 N 0.00 5.02 0.54 1.67 1.04 -1.26 -5.11 113.70 115.59 3i9c s SER 16 Ca 0.00 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 3i9c s SER 16 Cb 0.00 -1.16 0.05 0.00 0.10 0.00 0.00 66.02 65.01 3i9c s SER 16 CO 0.00 0.08 0.10 0.00 0.98 0.00 0.00 173.24 174.41 3i9c n GLN 17 N -0.19 1.03 0.00 4.02 1.13 -1.26 -4.99 117.38 117.12 3i9c n GLN 17 Ca -0.09 -0.17 0.00 0.00 -1.94 0.00 0.00 57.00 54.79 3i9c n GLN 17 Cb 0.55 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 30.02 3i9c n GLN 17 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i9c n ALA 18 N -2.76 0.00 0.00 -1.58 0.00 -1.26 -5.02 120.51 109.89 3i9c n ALA 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i9c n ALA 18 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3i9c n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9c n LYS 19 N 0.00 0.00 -3.52 0.00 4.76 -1.26 -5.02 118.16 113.12 3i9c n LYS 19 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 3i9c n LYS 19 Cb 0.00 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.27 3i9c n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9c n ARG 20 N -0.05 -7.42 -2.22 1.97 5.12 -1.26 -4.97 116.66 107.84 3i9c n ARG 20 Ca 0.00 0.82 -0.33 0.00 -1.93 0.00 0.00 57.85 56.41 3i9c n ARG 20 Cb 0.00 -5.83 -0.01 0.00 -1.16 0.00 0.00 32.46 25.46 3i9c n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i9c s LEU 21 N -6.90 3.61 0.00 0.55 1.43 -1.26 -4.91 118.68 111.20 3i9c s LEU 21 Ca 0.38 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 3i9c s LEU 21 Cb -0.17 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3i9c s LEU 21 CO 0.72 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.88 3i9c n GLY 22 N -0.75 3.03 3.77 -3.19 0.00 -0.11 -4.99 105.19 102.95 3i9c n GLY 22 Ca 0.09 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 3i9c n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9c s VAL 23 N -2.04 2.90 -0.09 1.61 1.01 -1.26 -2.02 120.40 120.50 3i9c s VAL 23 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.81 3i9c s VAL 23 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3i9c s VAL 23 CO 0.00 0.14 -0.08 0.29 0.00 0.00 0.00 175.10 175.45 3i9c n LYS 24 N 0.41 0.23 -4.07 2.72 4.76 0.33 -4.94 118.16 117.60 3i9c n LYS 24 Ca 0.02 0.05 -0.35 0.00 -2.87 0.00 0.00 58.31 55.17 3i9c n LYS 24 Cb 0.44 -1.19 -0.12 0.00 -1.84 0.00 0.00 35.03 32.32 3i9c n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3i9c s ARG 25 N -2.19 3.65 0.33 1.97 3.00 -0.84 -5.05 118.95 119.82 3i9c s ARG 25 Ca -0.13 -0.50 0.07 0.00 0.00 0.00 0.00 55.73 55.17 3i9c s ARG 25 Cb 0.03 -3.10 -0.02 0.00 0.00 0.00 0.00 34.95 31.87 3i9c s ARG 25 CO 0.22 0.04 0.36 0.71 0.00 0.00 0.00 175.30 176.62 3i9c s TYR 26 N 0.94 3.03 -0.26 -0.53 1.51 -1.26 -4.88 117.35 115.89 3i9c s TYR 26 Ca 0.02 -0.24 -0.40 0.00 -1.01 0.00 0.00 57.07 55.44 3i9c s TYR 26 Cb -0.14 -1.84 -0.15 0.00 -0.11 0.00 0.00 41.96 39.71 3i9c s TYR 26 CO 0.02 0.14 1.75 -1.91 -1.11 0.00 0.00 175.55 174.44 3i9c n GLU 27 N -1.47 1.22 -0.03 -0.62 2.13 -1.26 -2.39 120.64 118.22 3i9c n GLU 27 Ca -0.02 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.25 3i9c n GLU 27 Cb 0.59 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.16 3i9c n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9c n GLY 28 N 4.20 0.98 3.80 8.31 0.00 -0.19 -4.94 105.19 117.35 3i9c n GLY 28 Ca 0.26 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 3i9c n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i9c s GLN 29 N -0.77 3.94 -1.04 1.61 -0.21 -1.01 -4.75 119.66 117.44 3i9c s GLN 29 Ca 0.00 0.12 -0.23 0.00 0.02 0.00 0.00 55.36 55.27 3i9c s GLN 29 Cb 0.00 -3.30 -0.06 0.00 1.00 0.00 0.00 33.01 30.65 3i9c s GLN 29 CO 0.00 0.51 1.91 0.08 -2.12 0.00 0.00 175.29 175.67 3i9c s VAL 30 N -0.37 3.53 0.47 1.09 1.01 -1.26 -2.12 120.40 122.74 3i9c s VAL 30 Ca 0.18 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3i9c s VAL 30 Cb -0.14 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3i9c s VAL 30 CO 0.06 -1.05 0.80 0.68 0.00 0.00 0.00 175.10 175.60 3i9c s VAL 31 N 10.04 4.84 0.55 2.92 -7.23 -1.20 -4.94 120.40 125.39 3i9c s VAL 31 Ca 0.68 0.42 0.08 0.00 -1.81 0.00 0.00 61.98 61.35 3i9c s VAL 31 Cb -0.03 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 33.15 3i9c s VAL 31 CO 0.05 -0.76 0.64 -0.13 -0.31 0.00 0.00 175.10 174.59 3i9c s ARG 32 N -4.46 2.31 -0.42 4.82 0.52 -1.26 -1.43 118.95 119.03 3i9c s ARG 32 Ca 0.50 -1.76 -0.29 0.00 -0.52 0.00 0.00 55.73 53.66 3i9c s ARG 32 Cb -0.10 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 32.93 3i9c s ARG 32 CO 0.41 -0.74 1.24 0.00 0.02 0.00 0.00 175.30 176.23 3i9c s ALA 33 N -2.69 3.18 0.00 2.13 0.00 -1.26 -3.44 121.76 119.68 3i9c s ALA 33 Ca 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3i9c s ALA 33 Cb -0.05 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3i9c s ALA 33 CO 0.32 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.32 3i9c n GLY 34 N 4.76 3.39 3.08 0.00 0.00 0.22 -4.95 105.19 111.70 3i9c n GLY 34 Ca 0.14 -1.04 -0.53 0.00 0.00 0.00 0.00 46.02 44.59 3i9c n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9c n ASN 35 N 0.00 0.20 -4.82 1.61 4.13 -1.22 -4.16 115.26 110.99 3i9c n ASN 35 Ca 0.00 1.01 -0.33 0.00 1.68 0.00 0.00 54.58 56.95 3i9c n ASN 35 Cb 0.00 -0.79 -0.01 0.00 -1.54 0.00 0.00 39.78 37.43 3i9c n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3i9c s ILE 36 N 0.50 4.15 -0.06 2.41 -0.00 -1.26 -0.45 121.20 126.49 3i9c s ILE 36 Ca 0.81 1.05 0.01 0.00 -0.00 0.00 0.00 60.65 62.53 3i9c s ILE 36 Cb -1.14 -3.55 -0.05 0.00 -0.00 0.00 0.00 42.46 37.73 3i9c s ILE 36 CO 0.54 -0.57 -0.05 0.18 -0.00 0.00 0.00 174.94 175.04 3i9c n LEU 37 N -1.73 2.56 -3.79 0.37 4.77 1.54 -4.52 117.00 116.20 3i9c n LEU 37 Ca 0.08 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 3i9c n LEU 37 Cb 0.53 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 3i9c n LEU 37 CO 0.46 0.54 -0.12 -0.69 -1.33 0.00 0.00 177.39 176.26 3i9c s VAL 38 N -2.13 -0.00 -0.05 4.08 1.01 -0.23 0.12 120.40 123.20 3i9c s VAL 38 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3i9c s VAL 38 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3i9c s VAL 38 CO 0.16 0.01 -0.18 -0.13 0.00 0.00 0.00 175.10 174.96 3i9c s ARG 39 N 0.24 2.52 -0.20 2.72 1.81 -0.86 -0.66 118.95 124.52 3i9c s ARG 39 Ca -0.01 -0.77 -0.28 0.00 -1.72 0.00 0.00 55.73 52.95 3i9c s ARG 39 Cb -0.03 -2.31 0.12 0.00 -0.45 0.00 0.00 34.95 32.29 3i9c s ARG 39 CO -0.01 0.54 1.00 1.14 -0.68 0.00 0.00 175.30 177.29 3i9c s GLN 40 N -0.53 0.58 -1.23 3.54 -2.07 -1.26 -0.93 119.66 117.76 3i9c s GLN 40 Ca 0.07 0.30 -0.13 0.00 -1.82 0.00 0.00 55.36 53.79 3i9c s GLN 40 Cb -0.11 0.28 0.17 0.00 -1.09 0.00 0.00 33.01 32.25 3i9c s GLN 40 CO 0.01 -0.15 1.55 0.54 -1.32 0.00 0.00 175.29 175.92 3i9c n ARG 41 N 1.25 3.42 -0.39 9.60 5.12 -1.26 -4.66 116.66 129.73 3i9c n ARG 41 Ca -0.11 -3.76 0.00 0.00 -1.93 0.00 0.00 57.85 52.05 3i9c n ARG 41 Cb 0.57 -3.03 0.00 0.00 -1.16 0.00 0.00 32.46 28.84 3i9c n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i9c n GLY 42 N 3.84 0.77 1.97 -0.13 0.00 -1.26 -4.87 105.19 105.51 3i9c n GLY 42 Ca 0.38 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 3i9c n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i9c n THR 43 N 9.00 3.10 0.09 2.61 5.66 -1.26 -4.65 114.28 128.83 3i9c n THR 43 Ca 0.00 -2.59 0.19 0.00 -3.05 0.00 0.00 64.05 58.60 3i9c n THR 43 Cb 0.00 -0.67 0.58 0.00 -1.55 0.00 0.00 70.33 68.70 3i9c n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3i9c h ARG 44 N 1.36 0.00 -3.38 1.09 3.08 -1.93 -3.31 114.38 111.29 3i9c h ARG 44 Ca 0.50 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 60.11 3i9c h ARG 44 Cb 1.93 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.58 3i9c h ARG 44 CO 1.02 0.00 -0.75 -0.06 -1.07 0.00 0.00 179.97 179.11 3i9c s PHE 45 N -4.37 0.45 0.28 3.04 0.40 -1.26 -4.56 117.98 111.95 3i9c s PHE 45 Ca -0.03 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 3i9c s PHE 45 Cb 0.12 -0.73 -0.09 0.00 0.51 0.00 0.00 43.02 42.82 3i9c s PHE 45 CO 0.40 -0.41 0.74 0.15 0.70 0.00 0.00 175.22 176.80 3i9c s LYS 46 N 2.05 4.11 0.00 0.44 1.02 -0.60 -4.95 119.74 121.82 3i9c s LYS 46 Ca 0.03 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.78 3i9c s LYS 46 Cb -0.14 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 3i9c s LYS 46 CO -0.06 0.25 0.00 -2.30 -0.92 0.00 0.00 175.35 172.32 3i9c n PRO 47 N 0.08 1.97 0.00 -1.68 -0.02 -1.26 -2.75 135.00 131.34 3i9c n PRO 47 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3i9c n PRO 47 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3i9c n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9c n GLY 48 N 0.00 0.00 1.55 -1.23 0.00 -1.19 -3.52 105.19 100.79 3i9c n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9c n LYS 49 N 0.00 -0.45 -0.62 1.61 4.76 -1.26 -4.20 118.16 117.99 3i9c n LYS 49 Ca 0.00 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 3i9c n LYS 49 Cb 0.00 -0.81 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 3i9c n LYS 49 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3i9c n ASN 50 N 1.35 -1.18 -3.94 4.39 3.02 -1.26 -3.95 115.26 113.68 3i9c n ASN 50 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 3i9c n ASN 50 Cb 0.00 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 38.82 3i9c n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i9c s VAL 51 N -2.45 0.56 0.02 2.41 1.01 -1.26 -1.14 120.40 119.55 3i9c s VAL 51 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 3i9c s VAL 51 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3i9c s VAL 51 CO 0.00 0.20 0.29 -0.83 0.00 0.00 0.00 175.10 174.75 3i9c s GLY 52 N 0.37 -0.11 -0.07 4.51 0.00 -1.19 -3.97 107.32 106.86 3i9c s GLY 52 Ca -0.05 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.81 3i9c s GLY 52 CO 0.00 -0.11 -0.21 -3.16 0.00 0.00 0.00 173.10 169.63 3i9c s MET 53 N -2.01 2.42 0.79 2.90 0.23 -1.26 -2.38 119.30 120.00 3i9c s MET 53 Ca -0.09 -0.74 -0.09 0.00 -1.03 0.00 0.00 55.69 53.74 3i9c s MET 53 Cb -0.03 -1.95 0.10 0.00 -1.53 0.00 0.00 34.83 31.43 3i9c s MET 53 CO -0.00 0.21 1.12 0.20 -2.03 0.00 0.00 175.02 174.52 3i9c s GLY 54 N 0.23 1.69 0.09 3.16 0.00 -0.94 -4.78 107.32 106.77 3i9c s GLY 54 Ca -0.12 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.66 3i9c s GLY 54 CO 0.05 -0.46 0.38 0.54 0.00 0.00 0.00 173.10 173.61 3i9c n ARG 55 N -3.19 -0.02 -1.80 2.90 1.74 -1.26 0.67 116.66 115.70 3i9c n ARG 55 Ca 0.10 0.34 -0.35 0.00 -0.77 0.00 0.00 57.85 57.17 3i9c n ARG 55 Cb 0.60 -0.59 0.05 0.00 -1.02 0.00 0.00 32.46 31.50 3i9c n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3i9c n ASP 56 N -3.67 6.91 -1.89 0.55 3.85 -1.26 -4.89 116.55 116.15 3i9c n ASP 56 Ca 0.08 -3.80 -0.08 0.00 -0.71 0.00 0.00 54.79 50.29 3i9c n ASP 56 Cb 0.28 -0.87 -0.02 0.00 -1.35 0.00 0.00 41.12 39.17 3i9c n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3i9c n PHE 57 N -0.69 -1.16 -2.42 2.11 3.72 0.21 -4.47 117.46 114.77 3i9c n PHE 57 Ca 0.54 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.51 3i9c n PHE 57 Cb 0.53 -2.04 -0.02 0.00 -0.94 0.00 0.00 39.48 37.01 3i9c n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3i9c s THR 58 N -2.06 4.15 -0.31 4.37 2.01 -1.21 -4.54 115.64 118.06 3i9c s THR 58 Ca 0.00 1.31 -0.19 0.00 0.31 0.00 0.00 61.69 63.12 3i9c s THR 58 Cb 0.00 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 3i9c s THR 58 CO 0.00 -0.44 0.59 -0.76 -0.69 0.00 0.00 174.62 173.32 3i9c s LEU 59 N 4.29 4.17 0.31 4.42 1.43 0.17 -2.21 118.68 131.26 3i9c s LEU 59 Ca 0.56 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 3i9c s LEU 59 Cb -0.17 -2.74 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 3i9c s LEU 59 CO 0.22 -0.45 0.04 0.72 0.23 0.00 0.00 176.35 177.11 3i9c s PHE 60 N 2.53 1.94 -0.02 0.29 -0.12 -1.00 0.44 117.98 122.03 3i9c s PHE 60 Ca 0.23 -0.92 -0.24 0.00 -0.05 0.00 0.00 56.93 55.95 3i9c s PHE 60 Cb -0.15 -1.24 -0.04 0.00 -0.63 0.00 0.00 43.02 40.96 3i9c s PHE 60 CO 0.12 0.04 0.74 0.00 -0.05 0.00 0.00 175.22 176.07 3i9c s ALA 61 N -3.27 3.34 -0.25 1.99 0.00 0.40 -3.14 121.76 120.83 3i9c s ALA 61 Ca 0.35 0.21 0.22 0.00 0.00 0.00 0.00 51.96 52.74 3i9c s ALA 61 Cb 0.08 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.25 3i9c s ALA 61 CO 0.15 -0.05 1.11 -0.07 0.00 0.00 0.00 175.76 176.90 3i9c h LEU 62 N 6.36 0.00 -7.67 0.00 3.38 -1.43 0.64 115.31 116.59 3i9c h LEU 62 Ca -0.42 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 3i9c h LEU 62 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 3i9c h LEU 62 CO 0.74 0.04 -0.38 0.68 0.09 0.00 0.00 178.44 179.61 3i9c s VAL 63 N -3.32 0.09 0.45 1.22 -7.23 -1.26 -4.79 120.40 105.56 3i9c s VAL 63 Ca 0.00 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.21 3i9c s VAL 63 Cb 0.09 -0.72 -0.07 0.00 0.56 0.00 0.00 36.38 36.24 3i9c s VAL 63 CO 0.78 -0.40 1.28 -1.81 -0.31 0.00 0.00 175.10 174.64 3i9c s ASP 64 N -1.72 6.03 0.00 4.85 1.11 -1.26 -4.37 116.67 121.31 3i9c s ASP 64 Ca -0.10 2.58 0.00 0.00 0.18 0.00 0.00 52.55 55.22 3i9c s ASP 64 Cb -0.04 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3i9c s ASP 64 CO -0.00 -1.04 0.00 0.61 1.18 0.00 0.00 175.17 175.92 3i9c n GLY 65 N 0.62 -0.10 3.36 0.21 0.00 -0.51 -3.70 105.19 105.07 3i9c n GLY 65 Ca 0.06 0.52 -0.15 0.00 0.00 0.00 0.00 46.02 46.45 3i9c n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9c s VAL 66 N 2.69 0.03 0.37 1.61 1.01 -0.84 -3.23 120.40 122.03 3i9c s VAL 66 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3i9c s VAL 66 Cb 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 3i9c s VAL 66 CO 0.00 -0.12 0.94 -0.69 0.00 0.00 0.00 175.10 175.23 3i9c s VAL 67 N -0.94 4.29 -0.17 2.92 1.01 -0.90 -1.45 120.40 125.16 3i9c s VAL 67 Ca -0.10 1.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 3i9c s VAL 67 Cb -0.03 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.57 3i9c s VAL 67 CO 0.05 -0.05 0.40 -1.61 0.00 0.00 0.00 175.10 173.89 3i9c s GLU 68 N -2.53 0.39 0.04 2.72 2.02 -0.25 -1.02 118.70 120.06 3i9c s GLU 68 Ca 0.55 0.77 0.06 0.00 0.02 0.00 0.00 54.97 56.37 3i9c s GLU 68 Cb -0.14 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.04 3i9c s GLU 68 CO 0.19 -0.15 -0.14 -0.06 0.02 0.00 0.00 175.26 175.12 3i9c s PHE 69 N 1.33 2.67 -0.28 1.61 0.40 -1.26 -0.09 117.98 122.36 3i9c s PHE 69 Ca -0.09 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3i9c s PHE 69 Cb -0.08 -1.50 0.18 0.00 0.51 0.00 0.00 43.02 42.13 3i9c s PHE 69 CO -0.12 0.31 0.53 1.14 0.70 0.00 0.00 175.22 177.77 3i9c s GLN 70 N -1.53 0.50 0.35 0.44 -2.07 0.15 -4.99 119.66 112.49 3i9c s GLN 70 Ca 0.16 0.69 -0.27 0.00 -1.82 0.00 0.00 55.36 54.12 3i9c s GLN 70 Cb -0.11 0.15 -0.09 0.00 -1.09 0.00 0.00 33.01 31.87 3i9c s GLN 70 CO 0.07 -0.78 1.19 0.34 -1.32 0.00 0.00 175.29 174.80 3i9c s ASP 71 N 2.74 6.80 -0.35 12.60 2.15 -1.26 -1.84 116.67 137.52 3i9c s ASP 71 Ca 0.15 2.44 0.10 0.00 0.43 0.00 0.00 52.55 55.67 3i9c s ASP 71 Cb -0.14 -2.63 0.45 0.00 -0.30 0.00 0.00 42.92 40.31 3i9c s ASP 71 CO -0.22 -0.49 1.11 0.54 -0.17 0.00 0.00 175.17 175.95 3i9c n ARG 72 N 0.61 2.96 0.00 4.34 1.74 0.31 -4.91 116.66 121.70 3i9c n ARG 72 Ca 0.01 -4.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.00 3i9c n ARG 72 Cb 0.44 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3i9c n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 73 N -0.51 2.04 0.33 -0.13 0.00 -1.26 -0.52 105.19 105.14 3i9c n GLY 73 Ca 0.32 0.46 0.08 0.00 0.00 0.00 0.00 46.02 46.88 3i9c n GLY 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i9c h ARG 74 N 0.00 0.48 0.00 1.61 2.43 -2.04 -1.83 114.38 115.03 3i9c h ARG 74 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i9c h ARG 74 Cb 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3i9c h ARG 74 CO 0.00 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.06 3i9c n LEU 75 N -4.47 0.39 0.00 3.80 4.77 0.32 -5.00 117.00 116.81 3i9c n LEU 75 Ca 0.07 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3i9c n LEU 75 Cb 0.21 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3i9c n LEU 75 CO 0.34 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 3i9c n GLY 76 N 0.05 -3.52 3.82 -0.72 0.00 -0.69 -4.89 105.19 99.24 3i9c n GLY 76 Ca 0.03 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 3i9c n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9c s ARG 77 N -0.75 3.98 -0.02 1.61 0.52 -1.26 -0.53 118.95 122.49 3i9c s ARG 77 Ca 0.00 0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.66 3i9c s ARG 77 Cb 0.00 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 3i9c s ARG 77 CO 0.00 0.61 -0.18 0.71 0.02 0.00 0.00 175.30 176.46 3i9c s TYR 78 N -0.82 1.64 -0.25 -0.53 1.51 -0.76 -1.55 117.35 116.59 3i9c s TYR 78 Ca 0.24 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 3i9c s TYR 78 Cb -0.16 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 3i9c s TYR 78 CO 0.13 -0.06 -0.03 0.08 -1.11 0.00 0.00 175.55 174.55 3i9c s VAL 79 N -0.31 3.23 0.32 0.71 1.01 -1.11 -0.68 120.40 123.57 3i9c s VAL 79 Ca 0.04 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.31 3i9c s VAL 79 Cb -0.08 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3i9c s VAL 79 CO 0.00 0.24 0.09 -1.00 0.00 0.00 0.00 175.10 174.44 3i9c s HIS 80 N 1.40 2.69 -0.23 5.22 3.76 0.88 -3.20 115.29 125.81 3i9c s HIS 80 Ca 0.02 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 3i9c s HIS 80 Cb -0.16 -1.52 0.07 0.00 1.11 0.00 0.00 32.58 32.08 3i9c s HIS 80 CO -0.03 0.42 0.03 0.08 -0.85 0.00 0.00 174.74 174.39 3i9c s VAL 81 N -2.41 0.84 -0.67 -0.90 1.01 -1.25 -1.09 120.40 115.93 3i9c s VAL 81 Ca 0.36 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 3i9c s VAL 81 Cb -0.03 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 35.05 3i9c s VAL 81 CO 0.22 -0.30 1.01 -0.13 0.00 0.00 0.00 175.10 175.90 3i9c s ARG 82 N 1.69 3.12 0.00 2.72 1.81 -0.53 -4.77 118.95 123.00 3i9c s ARG 82 Ca 0.00 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 3i9c s ARG 82 Cb -0.18 -4.22 0.00 0.00 -0.45 0.00 0.00 34.95 30.10 3i9c s ARG 82 CO -0.12 -1.86 0.00 -0.35 -0.68 0.00 0.00 175.30 172.29 3i9c n PRO 83 N 7.94 2.09 -0.10 3.54 -0.04 -1.26 -1.99 135.00 145.18 3i9c n PRO 83 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 3i9c n PRO 83 Cb 0.46 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.03 3i9c n PRO 83 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i9c n LEU 84 N 0.00 0.01 -0.85 1.53 -0.00 -1.24 -4.45 117.00 112.01 3i9c n LEU 84 Ca 0.00 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.61 3i9c n LEU 84 Cb 0.00 -0.20 0.09 0.00 -0.00 0.00 0.00 43.42 43.31 3i9c n LEU 84 CO 0.00 -0.52 0.59 0.00 -0.00 0.00 0.00 177.39 177.46