#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9v n PRO 27 N 0.00 0.91 -0.11 -0.72 -0.02 -1.26 -3.54 135.00 130.26 3i9v n PRO 27 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 3i9v n PRO 27 Cb 0.00 -1.17 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 3i9v n PRO 27 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i9v n ASP 28 N -0.29 1.93 -4.66 2.55 8.00 -1.26 -4.92 116.55 117.89 3i9v n ASP 28 Ca 0.00 0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.24 3i9v n ASP 28 Cb 0.09 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.58 3i9v n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9v s ALA 29 N -2.41 3.59 0.22 2.24 0.00 -1.23 -5.07 121.76 119.09 3i9v s ALA 29 Ca -0.30 -0.85 -0.32 0.00 0.00 0.00 0.00 51.96 50.49 3i9v s ALA 29 Cb 0.10 -2.25 -0.12 0.00 0.00 0.00 0.00 23.12 20.84 3i9v s ALA 29 CO 0.43 -0.11 1.63 -0.35 0.00 0.00 0.00 175.76 177.36 3i9v n PRO 30 N 4.10 2.55 -2.45 0.00 -0.04 -1.26 -4.87 135.00 133.03 3i9v n PRO 30 Ca -0.15 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 63.80 3i9v n PRO 30 Cb 0.52 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 3i9v n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i9v s VAL 31 N 0.68 4.17 -0.20 0.52 1.01 -0.78 -4.69 120.40 121.10 3i9v s VAL 31 Ca 0.72 1.53 -0.27 0.00 0.00 0.00 0.00 61.98 63.97 3i9v s VAL 31 Cb -0.55 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 31.84 3i9v s VAL 31 CO 0.39 0.07 0.91 0.00 0.00 0.00 0.00 175.10 176.48 3i9v s ALA 32 N 1.52 3.59 0.19 5.51 0.00 -1.26 -1.76 121.76 129.56 3i9v s ALA 32 Ca 0.57 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.68 3i9v s ALA 32 Cb -0.27 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3i9v s ALA 32 CO 0.26 -0.84 0.02 -0.51 0.00 0.00 0.00 175.76 174.69 3i9v s LEU 33 N 2.64 3.35 0.66 0.00 1.02 -0.79 -4.94 118.68 120.63 3i9v s LEU 33 Ca 0.40 -0.41 -0.15 0.00 0.02 0.00 0.00 54.13 53.99 3i9v s LEU 33 Cb -0.16 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.08 3i9v s LEU 33 CO 0.10 0.07 1.13 -0.54 0.02 0.00 0.00 176.35 177.12 3i9v s LYS 34 N -3.12 2.71 0.41 1.70 -0.14 -1.26 -4.40 119.74 115.63 3i9v s LYS 34 Ca 0.29 1.48 0.29 0.00 -1.36 0.00 0.00 55.97 56.67 3i9v s LYS 34 Cb -0.09 -1.93 1.40 0.00 -1.68 0.00 0.00 37.83 35.53 3i9v s LYS 34 CO 0.19 -1.34 1.87 -1.00 -0.76 0.00 0.00 175.35 174.32 3i9v h PRO 35 N 0.05 0.00 0.00 -1.68 0.13 -1.97 -2.20 132.00 126.33 3i9v h PRO 35 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i9v h PRO 35 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3i9v h PRO 35 CO 0.53 0.00 -0.61 -2.13 -0.23 0.00 0.00 178.00 175.57 3i9v n ARG 36 N -2.56 0.28 -1.12 0.86 3.00 -1.26 -4.35 116.66 111.51 3i9v n ARG 36 Ca -0.00 0.09 -0.36 0.00 -0.00 0.00 0.00 57.85 57.57 3i9v n ARG 36 Cb 0.15 -1.68 0.02 0.00 0.00 0.00 0.00 32.46 30.94 3i9v n ARG 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i9v n PHE 37 N -2.09 -3.36 -3.49 -0.14 7.35 -0.83 -4.93 117.46 109.98 3i9v n PHE 37 Ca 0.03 0.31 -0.42 0.00 -0.76 0.00 0.00 57.45 56.60 3i9v n PHE 37 Cb 0.43 -1.54 -0.06 0.00 0.35 0.00 0.00 39.48 38.67 3i9v n PHE 37 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3i9v s HIS 38 N -1.90 3.50 0.00 -5.13 3.76 -1.26 -4.65 115.29 109.61 3i9v s HIS 38 Ca 0.50 -2.00 0.00 0.00 -0.15 0.00 0.00 55.06 53.40 3i9v s HIS 38 Cb -0.39 -3.58 0.00 0.00 1.11 0.00 0.00 32.58 29.72 3i9v s HIS 38 CO 0.67 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 3i9v n GLY 39 N 4.38 5.04 3.68 -2.22 0.00 0.27 -4.95 105.19 111.40 3i9v n GLY 39 Ca 0.01 -2.04 -0.47 0.00 0.00 0.00 0.00 46.02 43.52 3i9v n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9v n ARG 40 N -0.03 2.31 -1.49 1.61 0.63 -0.29 -3.73 116.66 115.67 3i9v n ARG 40 Ca 0.00 0.84 -0.45 0.00 -0.92 0.00 0.00 57.85 57.32 3i9v n ARG 40 Cb 0.00 -2.70 -0.02 0.00 0.45 0.00 0.00 32.46 30.20 3i9v n ARG 40 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i9v n HIS 41 N 6.18 0.28 -4.53 -0.14 8.25 -1.26 -1.77 115.22 122.23 3i9v n HIS 41 Ca 0.21 0.78 -0.21 0.00 -0.26 0.00 0.00 57.72 58.24 3i9v n HIS 41 Cb 0.31 -2.09 -0.15 0.00 1.12 0.00 0.00 29.99 29.18 3i9v n HIS 41 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3i9v s VAL 42 N -1.12 0.95 0.03 1.59 -7.23 0.31 -4.75 120.40 110.19 3i9v s VAL 42 Ca 0.61 -0.50 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 3i9v s VAL 42 Cb -0.76 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.31 3i9v s VAL 42 CO 0.58 0.27 0.53 -0.76 -0.31 0.00 0.00 175.10 175.42 3i9v s LEU 43 N -0.16 4.49 0.36 1.32 1.43 -0.87 -1.22 118.68 124.03 3i9v s LEU 43 Ca 0.02 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 3i9v s LEU 43 Cb -0.06 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3i9v s LEU 43 CO -0.00 0.25 0.24 0.42 0.23 0.00 0.00 176.35 177.48 3i9v s THR 44 N -0.87 3.06 0.31 5.49 -4.23 -0.83 -1.71 115.64 116.86 3i9v s THR 44 Ca 0.28 -1.53 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 3i9v s THR 44 Cb -0.18 -3.05 -0.06 0.00 1.34 0.00 0.00 72.50 70.55 3i9v s THR 44 CO 0.17 -0.13 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.86 3i9v s ARG 45 N -3.95 1.80 0.83 3.99 0.52 -1.26 -0.95 118.95 119.92 3i9v s ARG 45 Ca 0.41 -1.84 -0.12 0.00 -0.52 0.00 0.00 55.73 53.66 3i9v s ARG 45 Cb -0.03 -1.76 0.19 0.00 0.52 0.00 0.00 34.95 33.86 3i9v s ARG 45 CO 0.25 0.23 1.13 0.72 0.02 0.00 0.00 175.30 177.64 3i9v n HIS 46 N -0.74 -3.83 0.13 -0.53 8.25 -0.13 -4.78 115.22 113.59 3i9v n HIS 46 Ca -0.05 -1.13 -0.14 0.00 -0.26 0.00 0.00 57.72 56.15 3i9v n HIS 46 Cb 0.62 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 30.78 3i9v n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3i9v h PRO 47 N 0.00 -0.28 -1.43 -0.41 0.11 -1.99 -2.64 132.00 125.37 3i9v h PRO 47 Ca -0.37 0.02 0.42 0.00 0.11 0.00 0.00 66.00 66.18 3i9v h PRO 47 Cb 1.05 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3i9v h PRO 47 CO 0.28 -0.08 1.22 0.09 -0.21 0.00 0.00 178.00 179.30 3i9v n ASN 48 N -5.16 0.00 0.00 -2.05 4.13 -1.26 -4.74 115.26 106.18 3i9v n ASN 48 Ca -0.09 0.81 0.00 0.00 1.68 0.00 0.00 54.58 56.98 3i9v n ASN 48 Cb 0.18 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 3i9v n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i9v n GLY 49 N -1.75 0.20 3.75 7.41 0.00 -0.99 -5.06 105.19 108.75 3i9v n GLY 49 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 3i9v n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9v s LEU 50 N 0.00 3.87 0.38 0.99 2.01 -1.26 -4.71 118.68 119.97 3i9v s LEU 50 Ca 0.00 2.73 -0.26 0.00 0.01 0.00 0.00 54.13 56.61 3i9v s LEU 50 Cb 0.00 -4.26 -0.09 0.00 0.01 0.00 0.00 46.19 41.85 3i9v s LEU 50 CO 0.00 -1.50 1.18 -1.61 1.01 0.00 0.00 176.35 175.43 3i9v s GLU 51 N -2.87 4.14 0.35 1.70 2.02 0.52 -0.95 118.70 123.61 3i9v s GLU 51 Ca 0.71 1.88 0.15 0.00 0.02 0.00 0.00 54.97 57.73 3i9v s GLU 51 Cb -0.40 -2.77 0.65 0.00 0.10 0.00 0.00 34.13 31.72 3i9v s GLU 51 CO 0.47 -0.26 1.74 0.87 0.02 0.00 0.00 175.26 178.10 3i9v h LYS 52 N 2.82 0.00 -6.70 1.61 1.57 -1.35 -3.40 116.57 111.12 3i9v h LYS 52 Ca -0.49 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.77 3i9v h LYS 52 Cb 1.23 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.58 3i9v h LYS 52 CO 0.63 0.43 0.70 0.00 -0.57 0.00 0.00 179.45 180.64 3i9v n ILE 54 N 2.56 2.31 -3.65 0.00 -5.35 -1.26 -4.45 119.36 109.51 3i9v n ILE 54 Ca 0.07 -3.25 -0.29 0.00 -0.27 0.00 0.00 62.75 59.00 3i9v n ILE 54 Cb 0.42 -0.34 -0.06 0.00 -1.74 0.00 0.00 39.64 37.92 3i9v n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9v n GLY 55 N -1.08 -0.26 0.24 3.28 0.00 -1.26 -4.37 105.19 101.73 3i9v n GLY 55 Ca 0.24 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.45 3i9v n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v n SER 57 N -3.17 -6.03 0.03 0.00 2.88 -1.26 -4.90 113.62 101.17 3i9v n SER 57 Ca 0.02 -0.47 -0.12 0.00 -1.33 0.00 0.00 58.87 56.96 3i9v n SER 57 Cb 0.44 -4.67 -0.14 0.00 -0.75 0.00 0.00 64.21 59.10 3i9v n SER 57 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3i9v h LEU 58 N -2.38 0.17 -0.60 2.46 5.85 -1.93 -3.17 115.31 115.71 3i9v h LEU 58 Ca -0.52 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 57.84 3i9v h LEU 58 Cb 1.34 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3i9v h LEU 58 CO 0.52 1.23 0.03 0.00 -0.34 0.00 0.00 178.44 179.87 3i9v h ALA 60 N 0.99 1.01 0.00 0.00 0.00 -1.87 -2.95 119.26 116.44 3i9v h ALA 60 Ca 0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3i9v h ALA 60 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i9v h ALA 60 CO 0.03 0.59 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 3i9v h ALA 61 N 1.24 1.07 -0.00 0.00 0.00 -1.37 -2.95 119.26 117.25 3i9v h ALA 61 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i9v h ALA 61 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i9v h ALA 61 CO 0.06 0.46 -0.56 0.00 0.00 0.00 0.00 179.25 179.21 3i9v n ALA 62 N -2.32 3.70 -2.02 0.00 0.00 -0.95 -4.93 120.51 113.98 3i9v n ALA 62 Ca -0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 3i9v n ALA 62 Cb 0.48 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 3i9v n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9v n PRO 64 N 7.37 0.04 -0.09 0.00 -0.02 -1.26 -2.55 135.00 138.48 3i9v n PRO 64 Ca 0.18 0.18 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 3i9v n PRO 64 Cb 0.44 -1.56 0.08 0.00 -0.02 0.00 0.00 33.50 32.44 3i9v n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9v n ALA 65 N -1.55 2.13 -4.07 3.55 0.00 -1.26 -5.01 120.51 114.30 3i9v n ALA 65 Ca 0.05 -1.22 -0.41 0.00 0.00 0.00 0.00 53.44 51.86 3i9v n ALA 65 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 3i9v n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i9v n TYR 66 N -0.18 -1.44 -0.20 0.00 4.01 -1.06 -4.86 117.16 113.43 3i9v n TYR 66 Ca 0.06 0.25 0.03 0.00 -0.16 0.00 0.00 57.90 58.08 3i9v n TYR 66 Cb 0.37 -2.92 0.08 0.00 -0.31 0.00 0.00 39.34 36.56 3i9v n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i9v n ALA 67 N -4.84 2.14 -3.50 -0.72 0.00 -1.26 -4.96 120.51 107.37 3i9v n ALA 67 Ca -0.16 -1.24 -0.28 0.00 0.00 0.00 0.00 53.44 51.76 3i9v n ALA 67 Cb 0.60 -0.23 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 3i9v n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i9v s ILE 68 N -1.23 1.47 -0.14 0.00 1.01 -1.26 -1.54 121.20 119.51 3i9v s ILE 68 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3i9v s ILE 68 Cb 0.08 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 3i9v s ILE 68 CO 0.07 0.43 -0.17 -0.47 0.00 0.00 0.00 174.94 174.80 3i9v s TYR 69 N 0.74 2.74 -0.09 3.97 6.14 0.29 -4.79 117.35 126.34 3i9v s TYR 69 Ca -0.12 -1.05 0.01 0.00 0.64 0.00 0.00 57.07 56.56 3i9v s TYR 69 Cb -0.16 -1.85 0.02 0.00 0.42 0.00 0.00 41.96 40.39 3i9v s TYR 69 CO 0.03 -0.46 -0.12 0.08 0.64 0.00 0.00 175.55 175.72 3i9v s VAL 70 N 0.71 1.21 -0.23 3.14 1.01 -1.26 -1.67 120.40 123.30 3i9v s VAL 70 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3i9v s VAL 70 Cb -0.16 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3i9v s VAL 70 CO 0.01 0.38 -0.08 -1.61 0.00 0.00 0.00 175.10 173.80 3i9v s GLU 71 N 1.02 2.95 0.88 2.72 2.02 -0.88 -5.00 118.70 122.41 3i9v s GLU 71 Ca -0.07 -0.89 -0.12 0.00 0.02 0.00 0.00 54.97 53.90 3i9v s GLU 71 Cb -0.15 -2.91 0.17 0.00 0.10 0.00 0.00 34.13 31.34 3i9v s GLU 71 CO -0.01 -0.33 1.22 -1.25 0.02 0.00 0.00 175.26 174.91 3i9v s PRO 72 N 1.34 1.07 -0.09 0.39 0.04 -1.26 0.02 135.00 136.51 3i9v s PRO 72 Ca 0.02 -0.51 -0.30 0.00 0.04 0.00 0.00 61.00 60.25 3i9v s PRO 72 Cb -0.16 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.50 3i9v s PRO 72 CO -0.06 -2.06 0.84 0.00 0.04 0.00 0.00 177.00 175.75 3i9v s ALA 73 N -3.66 -1.84 -0.30 8.56 0.00 -0.07 -4.28 121.76 120.16 3i9v s ALA 73 Ca 0.70 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.89 3i9v s ALA 73 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3i9v s ALA 73 CO 0.50 -0.38 0.46 -2.00 0.00 0.00 0.00 175.76 174.34 3i9v s GLU 74 N -1.37 3.84 0.64 0.00 2.12 -1.26 -1.27 118.70 121.41 3i9v s GLU 74 Ca -0.05 -0.00 -0.18 0.00 0.36 0.00 0.00 54.97 55.10 3i9v s GLU 74 Cb -0.00 -3.72 -0.13 0.00 0.26 0.00 0.00 34.13 30.53 3i9v s GLU 74 CO 0.04 -0.45 -0.12 0.09 -0.54 0.00 0.00 175.26 174.28 3i9v n ASN 75 N 5.54 -3.59 -4.41 -1.70 3.02 -1.22 -4.94 115.26 107.95 3i9v n ASN 75 Ca -0.06 0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 3i9v n ASN 75 Cb 0.50 -0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 38.65 3i9v n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i9v s ASP 76 N -1.08 5.80 0.36 6.41 -1.08 -1.25 -4.98 116.67 120.84 3i9v s ASP 76 Ca 0.56 -0.85 0.18 0.00 -0.52 0.00 0.00 52.55 51.91 3i9v s ASP 76 Cb -0.41 -2.05 1.20 0.00 -1.46 0.00 0.00 42.92 40.20 3i9v s ASP 76 CO 0.67 -0.35 1.63 -0.65 0.52 0.00 0.00 175.17 176.99 3i9v h PRO 77 N 8.46 0.19 -0.03 4.34 0.11 -1.99 -0.30 132.00 142.78 3i9v h PRO 77 Ca -0.27 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 3i9v h PRO 77 Cb 1.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i9v h PRO 77 CO 0.67 0.13 -0.28 1.49 -0.21 0.00 0.00 178.00 179.80 3i9v h GLU 78 N 0.20 0.25 -2.99 1.05 4.57 -2.04 -3.41 114.58 112.22 3i9v h GLU 78 Ca 0.78 -0.22 -0.62 0.00 -1.18 0.00 0.00 59.36 58.12 3i9v h GLU 78 Cb 1.93 0.05 -0.41 0.00 -0.16 0.00 0.00 28.75 30.17 3i9v h GLU 78 CO -0.64 0.90 -0.68 1.21 -1.18 0.00 0.00 179.01 178.62 3i9v s ASN 79 N -6.33 3.97 0.55 1.04 2.47 -0.21 -5.12 114.94 111.32 3i9v s ASN 79 Ca -0.15 -3.39 -0.18 0.00 0.42 0.00 0.00 52.86 49.56 3i9v s ASN 79 Cb 0.02 -1.33 -0.06 0.00 -1.45 0.00 0.00 41.25 38.44 3i9v s ASN 79 CO 0.76 -0.15 1.07 -2.16 -3.72 0.00 0.00 177.10 172.89 3i9v s PRO 80 N -0.72 3.47 -0.18 0.43 0.04 -0.71 -3.96 135.00 133.37 3i9v s PRO 80 Ca 0.24 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 3i9v s PRO 80 Cb -0.10 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3i9v s PRO 80 CO -0.12 -0.71 -0.18 0.28 0.04 0.00 0.00 177.00 176.31 3i9v n VAL 81 N -1.50 0.99 -2.66 -0.36 0.31 -1.26 -4.97 118.33 108.88 3i9v n VAL 81 Ca 0.10 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3i9v n VAL 81 Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3i9v n VAL 81 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i9v n SER 82 N -3.24 0.72 -0.09 4.52 3.41 -1.26 -0.35 113.62 117.33 3i9v n SER 82 Ca -0.32 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.07 3i9v n SER 82 Cb 0.80 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.63 3i9v n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i9v n ALA 83 N -3.00 1.14 -1.00 7.33 0.00 -1.26 -4.89 120.51 118.83 3i9v n ALA 83 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3i9v n ALA 83 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3i9v n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9v n GLY 84 N 1.86 -1.53 0.90 0.00 0.00 -1.26 -4.92 105.19 100.24 3i9v n GLY 84 Ca -0.42 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.55 3i9v n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i9v n GLU 85 N 0.00 3.03 -3.70 1.61 0.28 -1.26 -4.85 120.64 115.75 3i9v n GLU 85 Ca 0.00 -2.64 -0.16 0.00 -0.16 0.00 0.00 57.16 54.20 3i9v n GLU 85 Cb 0.00 -1.71 -0.15 0.00 1.43 0.00 0.00 31.44 31.01 3i9v n GLU 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3i9v s ARG 86 N -2.28 0.05 0.33 3.44 3.52 -1.26 -3.39 118.95 119.36 3i9v s ARG 86 Ca 0.38 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 3i9v s ARG 86 Cb 0.28 -0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 3i9v s ARG 86 CO 0.12 -0.25 0.12 1.52 -0.81 0.00 0.00 175.30 175.99 3i9v s TYR 87 N 1.81 1.73 -0.57 5.12 -0.85 -0.40 -4.26 117.35 119.94 3i9v s TYR 87 Ca -0.02 -1.22 -0.18 0.00 -0.52 0.00 0.00 57.07 55.13 3i9v s TYR 87 Cb -0.12 -1.05 0.11 0.00 0.38 0.00 0.00 41.96 41.28 3i9v s TYR 87 CO -0.06 -0.30 0.62 0.00 -1.52 0.00 0.00 175.55 174.29 3i9v s ALA 88 N -3.44 3.50 0.05 9.51 0.00 -1.26 -0.89 121.76 129.22 3i9v s ALA 88 Ca 0.33 -2.31 -0.34 0.00 0.00 0.00 0.00 51.96 49.64 3i9v s ALA 88 Cb 0.06 -3.42 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 3i9v s ALA 88 CO 0.16 -2.20 1.43 -0.22 0.00 0.00 0.00 175.76 174.92 3i9v h LYS 89 N 9.06 -1.18 -5.47 0.00 3.64 -0.59 -3.41 116.57 118.62 3i9v h LYS 89 Ca -0.30 0.08 -0.65 0.00 -1.27 0.00 0.00 60.65 58.52 3i9v h LYS 89 Cb 1.09 0.27 -0.21 0.00 -0.41 0.00 0.00 32.23 32.97 3i9v h LYS 89 CO 1.07 -0.79 -0.68 0.08 -2.27 0.00 0.00 179.45 176.86 3i9v s VAL 90 N -5.55 3.80 -0.20 2.00 1.01 -0.56 -4.99 120.40 115.91 3i9v s VAL 90 Ca -0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3i9v s VAL 90 Cb 0.02 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.82 3i9v s VAL 90 CO 0.54 0.52 0.03 -0.47 0.00 0.00 0.00 175.10 175.72 3i9v s TYR 91 N 0.11 1.07 -0.07 5.22 5.04 -1.26 -2.08 117.35 125.38 3i9v s TYR 91 Ca -0.01 -0.88 0.01 0.00 -2.44 0.00 0.00 57.07 53.74 3i9v s TYR 91 Cb -0.14 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.15 3i9v s TYR 91 CO 0.03 -0.61 -0.09 -1.21 -1.34 0.00 0.00 175.55 172.32 3i9v s GLU 92 N 1.84 1.47 -0.18 4.97 2.02 -0.67 -2.26 118.70 125.89 3i9v s GLU 92 Ca -0.01 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 3i9v s GLU 92 Cb -0.17 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.73 3i9v s GLU 92 CO -0.08 -0.07 -0.13 0.42 0.02 0.00 0.00 175.26 175.42 3i9v s ILE 93 N 0.98 2.72 -0.64 -1.63 1.01 -1.09 -0.55 121.20 121.99 3i9v s ILE 93 Ca -0.09 -0.73 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 3i9v s ILE 93 Cb -0.15 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3i9v s ILE 93 CO 0.00 0.49 1.72 0.21 0.00 0.00 0.00 174.94 177.37 3i9v s ASN 94 N 1.17 5.48 0.08 3.58 3.84 -0.59 -1.81 114.94 126.70 3i9v s ASN 94 Ca 0.01 0.16 0.08 0.00 0.21 0.00 0.00 52.86 53.32 3i9v s ASN 94 Cb -0.14 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.40 3i9v s ASN 94 CO -0.05 -2.25 1.23 0.23 -2.79 0.00 0.00 177.10 173.47 3i9v n MET 95 N 9.23 0.04 0.08 0.43 2.81 -0.99 -1.74 117.12 126.98 3i9v n MET 95 Ca 0.16 0.50 -0.22 0.00 -1.81 0.00 0.00 57.70 56.33 3i9v n MET 95 Cb 0.51 -1.62 -0.15 0.00 -0.71 0.00 0.00 33.22 31.25 3i9v n MET 95 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3i9v h LEU 96 N 0.00 0.61 -0.62 4.03 3.38 -1.89 -3.36 115.31 117.46 3i9v h LEU 96 Ca 0.00 -0.85 -0.14 0.00 0.09 0.00 0.00 57.88 56.98 3i9v h LEU 96 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3i9v h LEU 96 CO 0.00 1.70 -0.50 0.03 0.09 0.00 0.00 178.44 179.77 3i9v h ARG 97 N 0.11 0.49 -6.80 1.13 -0.00 -1.71 -3.46 114.38 104.13 3i9v h ARG 97 Ca -0.31 -0.28 -0.53 0.00 -0.50 0.00 0.00 59.98 58.36 3i9v h ARG 97 Cb 2.10 0.02 0.08 0.00 0.00 0.00 0.00 29.97 32.17 3i9v h ARG 97 CO 0.19 0.88 0.90 0.00 0.00 0.00 0.00 179.97 181.93 3i9v n ILE 99 N 2.23 0.45 -2.18 0.00 0.13 -1.26 -4.99 119.36 113.73 3i9v n ILE 99 Ca 0.08 -0.61 -0.01 0.00 -1.10 0.00 0.00 62.75 61.11 3i9v n ILE 99 Cb 0.37 -0.16 0.01 0.00 -0.84 0.00 0.00 39.64 39.02 3i9v n ILE 99 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3i9v n PHE 100 N -2.43 -0.14 -0.04 9.51 3.01 -1.26 -5.03 117.46 121.08 3i9v n PHE 100 Ca -0.12 0.06 -0.14 0.00 1.01 0.00 0.00 57.45 58.25 3i9v n PHE 100 Cb 0.74 -2.01 -0.08 0.00 -0.01 0.00 0.00 39.48 38.12 3i9v n PHE 100 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9v n GLY 102 N 0.46 0.72 0.34 0.00 0.00 -1.26 -4.93 105.19 100.52 3i9v n GLY 102 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.03 3i9v n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9v h LEU 103 N 0.00 0.45 -0.17 0.99 3.38 -1.94 -0.77 115.31 117.25 3i9v h LEU 103 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3i9v h LEU 103 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3i9v h LEU 103 CO 0.00 0.29 -0.45 0.00 0.09 0.00 0.00 178.44 178.37 3i9v h GLU 105 N 0.27 0.00 -0.05 0.00 4.81 -1.60 -2.20 114.58 115.81 3i9v h GLU 105 Ca -0.01 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 3i9v h GLU 105 Cb 1.07 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.47 3i9v h GLU 105 CO 0.10 0.16 -0.95 1.49 -0.73 0.00 0.00 179.01 179.08 3i9v h GLU 106 N 0.00 0.70 0.00 1.92 4.81 -0.80 -3.29 114.58 117.92 3i9v h GLU 106 Ca -0.00 -0.69 -0.06 0.00 -0.13 0.00 0.00 59.36 58.48 3i9v h GLU 106 Cb 0.28 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3i9v h GLU 106 CO 0.02 1.28 -0.30 0.00 -0.73 0.00 0.00 179.01 179.28 3i9v h ALA 107 N 0.49 0.81 -2.31 2.92 0.00 -0.68 -3.46 119.26 117.03 3i9v h ALA 107 Ca -0.10 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 3i9v h ALA 107 Cb 1.59 -0.05 0.08 0.00 0.00 0.00 0.00 17.79 19.41 3i9v h ALA 107 CO 0.19 0.37 0.61 0.00 0.00 0.00 0.00 179.25 180.42 3i9v n PRO 109 N 2.03 0.21 -0.00 0.00 -0.02 -1.26 -4.42 135.00 131.53 3i9v n PRO 109 Ca 0.12 -0.11 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 3i9v n PRO 109 Cb 0.31 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 3i9v n PRO 109 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i9v n THR 110 N -1.30 0.00 -1.63 3.45 -2.24 -1.26 -4.99 114.28 106.32 3i9v n THR 110 Ca 0.07 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3i9v n THR 110 Cb 0.34 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3i9v n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9v n GLY 111 N 1.36 0.43 0.00 3.38 0.00 -1.26 -4.98 105.19 104.12 3i9v n GLY 111 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3i9v n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v n ALA 112 N -0.44 -0.07 -2.60 4.61 0.00 -1.26 -4.62 120.51 116.14 3i9v n ALA 112 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3i9v n ALA 112 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3i9v n ALA 112 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i9v s ILE 113 N -1.22 4.48 -0.09 0.00 1.10 -1.26 -1.96 121.20 122.24 3i9v s ILE 113 Ca 0.00 1.14 0.00 0.00 -0.51 0.00 0.00 60.65 61.28 3i9v s ILE 113 Cb 0.00 -4.42 0.02 0.00 0.15 0.00 0.00 42.46 38.21 3i9v s ILE 113 CO 0.00 -0.70 -0.08 -0.69 -2.11 0.00 0.00 174.94 171.36 3i9v s VAL 114 N 3.75 0.99 0.31 4.00 1.01 -0.36 -3.93 120.40 126.17 3i9v s VAL 114 Ca 0.40 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3i9v s VAL 114 Cb -0.11 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 3i9v s VAL 114 CO 0.23 0.35 1.52 -0.76 0.00 0.00 0.00 175.10 176.44 3i9v s LEU 115 N 1.36 4.35 0.00 3.92 1.43 -1.26 -0.53 118.68 127.95 3i9v s LEU 115 Ca -0.02 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 3i9v s LEU 115 Cb -0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3i9v s LEU 115 CO -0.04 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.31 3i9v n GLY 116 N 1.64 3.35 0.04 -3.19 0.00 -0.73 -4.66 105.19 101.65 3i9v n GLY 116 Ca 0.05 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 3i9v n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i9v n TYR 117 N 0.00 0.00 -1.56 1.61 4.01 -1.26 0.97 117.16 120.93 3i9v n TYR 117 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3i9v n TYR 117 Cb 0.00 -0.43 0.02 0.00 -0.31 0.00 0.00 39.34 38.61 3i9v n TYR 117 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3i9v n ASP 118 N -2.27 0.55 0.00 7.72 9.92 -1.26 -4.57 116.55 126.64 3i9v n ASP 118 Ca -0.13 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 55.10 3i9v n ASP 118 Cb 0.72 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 3i9v n ASP 118 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3i9v n PHE 119 N -0.75 0.00 -1.80 1.24 1.16 -1.26 -1.14 117.46 114.91 3i9v n PHE 119 Ca 0.11 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.27 3i9v n PHE 119 Cb 0.40 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.25 3i9v n PHE 119 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3i9v n GLU 120 N -0.03 2.47 -2.67 3.97 1.02 -1.26 -4.61 120.64 119.54 3i9v n GLU 120 Ca 0.00 -2.55 -0.08 0.00 -0.02 0.00 0.00 57.16 54.51 3i9v n GLU 120 Cb 0.00 -3.29 0.03 0.00 -0.02 0.00 0.00 31.44 28.17 3i9v n GLU 120 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9v n MET 121 N 7.02 1.65 -2.26 3.49 0.00 -1.26 -4.66 117.12 121.09 3i9v n MET 121 Ca 0.50 -3.48 -0.31 0.00 0.00 0.00 0.00 57.70 54.41 3i9v n MET 121 Cb 0.42 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.13 3i9v n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i9v s ALA 122 N -3.41 3.15 0.23 3.17 0.00 -1.26 -4.94 121.76 118.70 3i9v s ALA 122 Ca 0.30 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 3i9v s ALA 122 Cb 0.40 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.59 3i9v s ALA 122 CO -0.01 -0.41 0.92 0.34 0.00 0.00 0.00 175.76 176.61 3i9v s ASP 123 N -3.65 -0.08 -0.22 0.00 -1.08 -1.26 -4.70 116.67 105.67 3i9v s ASP 123 Ca 0.55 -0.70 0.04 0.00 -0.52 0.00 0.00 52.55 51.92 3i9v s ASP 123 Cb -0.10 0.61 -0.16 0.00 -1.46 0.00 0.00 42.92 41.80 3i9v s ASP 123 CO 0.42 -1.17 -0.17 -1.22 0.52 0.00 0.00 175.17 173.55 3i9v n TYR 124 N -0.56 0.00 -3.82 -5.34 4.01 -1.26 -4.92 117.16 105.27 3i9v n TYR 124 Ca -0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.33 3i9v n TYR 124 Cb 0.60 -0.88 -0.13 0.00 -0.31 0.00 0.00 39.34 38.62 3i9v n TYR 124 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i9v s GLU 125 N -2.45 3.22 0.09 -0.72 2.02 -1.26 -5.01 118.70 114.59 3i9v s GLU 125 Ca -0.28 -0.75 -0.15 0.00 0.02 0.00 0.00 54.97 53.81 3i9v s GLU 125 Cb 0.08 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 3i9v s GLU 125 CO 0.55 -0.34 0.78 0.98 0.02 0.00 0.00 175.26 177.26 3i9v n TYR 126 N 4.83 -0.18 1.18 1.61 4.19 -1.26 0.05 117.16 127.58 3i9v n TYR 126 Ca -0.16 0.63 0.11 0.00 3.31 0.00 0.00 57.90 61.79 3i9v n TYR 126 Cb 0.49 -0.57 0.59 0.00 0.49 0.00 0.00 39.34 40.35 3i9v n TYR 126 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 3i9v n SER 127 N -4.65 0.00 0.21 2.98 7.64 -1.26 -2.15 113.62 116.39 3i9v n SER 127 Ca 0.02 -0.34 0.10 0.00 1.01 0.00 0.00 58.87 59.66 3i9v n SER 127 Cb 0.14 -0.15 0.20 0.00 -1.01 0.00 0.00 64.21 63.40 3i9v n SER 127 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i9v h ASP 128 N 0.00 0.00 -0.07 6.43 3.32 -0.81 -3.29 116.42 122.00 3i9v h ASP 128 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i9v h ASP 128 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3i9v h ASP 128 CO 0.00 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 3i9v n LEU 129 N -3.14 1.27 -4.49 1.55 4.77 -0.91 -4.62 117.00 111.42 3i9v n LEU 129 Ca 0.03 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 3i9v n LEU 129 Cb 0.55 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3i9v n LEU 129 CO 0.35 0.24 0.87 0.54 -1.33 0.00 0.00 177.39 178.05 3i9v s VAL 130 N -1.92 4.17 0.65 4.08 0.11 -1.24 -2.35 120.40 123.90 3i9v s VAL 130 Ca 0.36 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.23 3i9v s VAL 130 Cb 0.19 -4.73 -0.00 0.00 -1.53 0.00 0.00 36.38 30.31 3i9v s VAL 130 CO 0.30 -1.51 1.11 -0.31 -3.33 0.00 0.00 175.10 171.36 3i9v s TYR 131 N 4.51 2.64 0.49 1.54 1.51 -0.75 -4.88 117.35 122.41 3i9v s TYR 131 Ca 0.27 1.55 0.03 0.00 -1.01 0.00 0.00 57.07 57.91 3i9v s TYR 131 Cb -0.14 -3.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.53 3i9v s TYR 131 CO 0.13 -1.66 0.08 0.20 -1.11 0.00 0.00 175.55 173.19 3i9v s GLY 132 N -2.58 2.80 0.44 0.71 0.00 -1.26 -2.68 107.32 104.74 3i9v s GLY 132 Ca 0.67 -0.93 0.14 0.00 0.00 0.00 0.00 44.72 44.60 3i9v s GLY 132 CO 0.41 -2.12 1.99 1.70 0.00 0.00 0.00 173.10 175.08 3i9v h LYS 133 N 1.33 0.38 0.00 2.90 3.64 -1.87 -0.90 116.57 122.05 3i9v h LYS 133 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3i9v h LYS 133 Cb 1.30 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3i9v h LYS 133 CO 0.72 0.25 -0.17 -0.85 -2.27 0.00 0.00 179.45 177.13 3i9v n GLU 134 N -4.47 0.06 0.09 1.90 0.00 -1.26 -1.85 120.64 115.11 3i9v n GLU 134 Ca 0.09 0.04 0.12 0.00 0.00 0.00 0.00 57.16 57.41 3i9v n GLU 134 Cb 0.34 -1.56 0.20 0.00 0.00 0.00 0.00 31.44 30.42 3i9v n GLU 134 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i9v h ASP 135 N 0.00 0.00 0.00 -1.84 3.32 -1.55 -3.40 116.42 112.95 3i9v h ASP 135 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3i9v h ASP 135 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3i9v h ASP 135 CO 0.00 0.07 -0.75 0.23 -1.72 0.00 0.00 179.24 177.07 3i9v n MET 136 N -2.27 2.22 -1.10 3.56 2.81 -1.06 -4.92 117.12 116.35 3i9v n MET 136 Ca 0.03 -0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.55 3i9v n MET 136 Cb 0.46 -0.89 0.07 0.00 -0.71 0.00 0.00 33.22 32.14 3i9v n MET 136 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i9v n LEU 137 N -1.39 -1.34 -0.23 4.03 4.32 -0.77 -2.04 117.00 119.57 3i9v n LEU 137 Ca -0.00 0.46 -0.01 0.00 -0.02 0.00 0.00 56.01 56.44 3i9v n LEU 137 Cb 0.05 -1.08 0.20 0.00 -1.62 0.00 0.00 43.42 40.97 3i9v n LEU 137 CO 0.04 -4.03 1.19 -0.37 -1.22 0.00 0.00 177.39 173.01 3i9v h VAL 138 N -0.72 1.21 -0.00 4.08 -1.51 -1.69 -2.16 116.25 115.45 3i9v h VAL 138 Ca -0.44 -0.48 -0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3i9v h VAL 138 Cb 1.34 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 3i9v h VAL 138 CO 0.37 0.23 -0.01 -2.24 -1.23 0.00 0.00 177.57 174.68 3i9v h ASP 139 N 1.05 0.00 -3.68 4.19 2.03 -1.88 -3.44 116.42 114.69 3i9v h ASP 139 Ca 0.27 -0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 56.04 3i9v h ASP 139 Cb -0.03 -0.00 0.08 0.00 -0.83 0.00 0.00 39.33 38.55 3i9v h ASP 139 CO -0.05 0.01 0.76 0.54 -1.03 0.00 0.00 179.24 179.47 3i9v s VAL 140 N -5.04 2.36 -0.36 4.15 0.11 -0.82 -5.01 120.40 115.80 3i9v s VAL 140 Ca -0.05 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 3i9v s VAL 140 Cb 0.17 -3.21 0.12 0.00 -1.53 0.00 0.00 36.38 31.92 3i9v s VAL 140 CO 0.67 0.07 0.16 -0.69 -3.33 0.00 0.00 175.10 171.98 3i9v s VAL 141 N -0.66 1.06 0.00 2.04 1.01 -1.26 -4.98 120.40 117.61 3i9v s VAL 141 Ca 0.55 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3i9v s VAL 141 Cb -0.44 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3i9v s VAL 141 CO 0.53 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3i9v n GLY 142 N 4.30 3.77 3.96 4.51 0.00 -1.26 -4.87 105.19 115.60 3i9v n GLY 142 Ca 0.03 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 3i9v n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i9v s THR 143 N -2.48 2.38 0.09 2.61 -4.23 -1.26 -4.84 115.64 107.91 3i9v s THR 143 Ca 0.00 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.71 3i9v s THR 143 Cb 0.00 -2.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.83 3i9v s THR 143 CO 0.00 0.00 1.47 0.50 -0.54 0.00 0.00 174.62 176.05 3i9v h LYS 144 N -0.36 -0.66 -0.96 3.99 3.64 -1.91 -1.93 116.57 118.37 3i9v h LYS 144 Ca -0.41 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.11 3i9v h LYS 144 Cb 1.29 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.19 3i9v h LYS 144 CO 0.51 -0.44 0.62 -1.00 -2.27 0.00 0.00 179.45 176.86 3i9v h PRO 145 N -0.69 0.96 -0.11 1.90 0.13 -1.89 -1.77 132.00 130.53 3i9v h PRO 145 Ca -0.01 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3i9v h PRO 145 Cb 0.67 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3i9v h PRO 145 CO -0.21 0.63 0.01 1.96 -0.23 0.00 0.00 178.00 180.17 3i9v h GLN 146 N 0.99 0.05 -0.22 0.86 4.20 -1.72 -1.78 115.11 117.49 3i9v h GLN 146 Ca 0.45 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.98 3i9v h GLN 146 Cb 0.40 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 3i9v h GLN 146 CO -0.21 0.04 -0.58 0.00 -0.67 0.00 0.00 178.83 177.40 3i9v h ARG 147 N 0.06 0.71 -0.48 1.46 3.08 -1.05 -0.88 114.38 117.27 3i9v h ARG 147 Ca 0.05 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 3i9v h ARG 147 Cb 0.05 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3i9v h ARG 147 CO -0.07 1.09 0.29 -0.09 -1.07 0.00 0.00 179.97 180.12 3i9v h ARG 148 N 0.54 0.65 -0.36 0.04 2.43 -1.27 -0.18 114.38 116.23 3i9v h ARG 148 Ca 0.00 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3i9v h ARG 148 Cb 1.16 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3i9v h ARG 148 CO 0.12 0.48 -0.07 1.49 -1.51 0.00 0.00 179.97 180.47 3i9v h GLU 149 N 0.64 0.68 0.00 0.20 4.81 -1.27 -1.80 114.58 117.85 3i9v h GLU 149 Ca 0.17 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3i9v h GLU 149 Cb -0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3i9v h GLU 149 CO -0.03 0.83 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 3i9v n ALA 150 N -2.43 1.95 -0.06 2.92 0.00 -0.34 -2.52 120.51 120.04 3i9v n ALA 150 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3i9v n ALA 150 Cb 0.33 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3i9v n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i9v h LYS 151 N 0.00 0.00 -0.63 0.00 1.63 -0.14 -3.20 116.57 114.24 3i9v h LYS 151 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i9v h LYS 151 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3i9v h LYS 151 CO 0.00 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 178.89 3i9v n ARG 152 N -4.68 0.72 0.00 1.90 1.85 -1.05 -3.10 116.66 112.31 3i9v n ARG 152 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 3i9v n ARG 152 Cb 0.12 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 3i9v n ARG 152 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3i9v n THR 153 N 0.06 0.00 -1.87 8.89 -1.04 -1.18 -5.03 114.28 114.10 3i9v n THR 153 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3i9v n THR 153 Cb 0.16 -0.06 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 3i9v n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9v n GLY 154 N 0.69 0.51 3.22 3.41 0.00 -1.18 -5.00 105.19 106.84 3i9v n GLY 154 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3i9v n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9v s LYS 155 N -3.99 3.07 0.92 1.61 2.47 -1.24 -5.09 119.74 117.49 3i9v s LYS 155 Ca 0.00 -0.86 -0.15 0.00 -1.56 0.00 0.00 55.97 53.40 3i9v s LYS 155 Cb 0.00 -2.34 -0.05 0.00 -1.46 0.00 0.00 37.83 33.98 3i9v s LYS 155 CO 0.00 0.15 -0.06 -2.30 0.16 0.00 0.00 175.35 173.30 3i9v n PRO 156 N 3.60 -0.10 -2.71 4.03 -0.02 -1.26 -4.61 135.00 133.93 3i9v n PRO 156 Ca -0.19 -0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.87 3i9v n PRO 156 Cb 0.53 -1.49 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 3i9v n PRO 156 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i9v s VAL 157 N -2.17 4.58 -0.33 -1.45 -7.23 -1.26 -4.97 120.40 107.57 3i9v s VAL 157 Ca 0.51 2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 62.70 3i9v s VAL 157 Cb -0.23 -4.30 0.06 0.00 0.56 0.00 0.00 36.38 32.47 3i9v s VAL 157 CO 0.72 0.26 0.05 -0.54 -0.31 0.00 0.00 175.10 175.29 3i9v s LYS 158 N 0.31 2.32 0.57 4.82 1.02 -1.26 -5.07 119.74 122.44 3i9v s LYS 158 Ca 0.49 -1.40 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 3i9v s LYS 158 Cb -0.23 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 3i9v s LYS 158 CO 0.29 -0.73 1.09 0.14 -0.92 0.00 0.00 175.35 175.22 3i9v s VAL 159 N 1.22 3.49 -0.25 3.17 -7.23 -1.26 -4.97 120.40 114.58 3i9v s VAL 159 Ca -0.02 0.82 0.14 0.00 -1.81 0.00 0.00 61.98 61.11 3i9v s VAL 159 Cb -0.20 -3.31 0.80 0.00 0.56 0.00 0.00 36.38 34.22 3i9v s VAL 159 CO -0.02 -0.31 1.74 0.61 -0.31 0.00 0.00 175.10 176.82 3i9v n GLY 160 N -0.37 3.18 3.42 2.32 0.00 -1.26 -4.98 105.19 107.51 3i9v n GLY 160 Ca 0.10 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 3i9v n GLY 160 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i9v s TYR 161 N -2.82 1.88 -0.05 1.61 -0.85 -1.26 -1.86 117.35 113.99 3i9v s TYR 161 Ca 0.54 -0.89 -0.11 0.00 -0.52 0.00 0.00 57.07 56.09 3i9v s TYR 161 Cb 0.42 -1.16 0.02 0.00 0.38 0.00 0.00 41.96 41.61 3i9v s TYR 161 CO 0.15 0.06 0.26 0.14 -1.52 0.00 0.00 175.55 174.64 3i9v s VAL 162 N -3.26 0.04 0.05 -3.49 -7.23 -0.72 -4.77 120.40 101.02 3i9v s VAL 162 Ca 0.33 -0.29 0.04 0.00 -1.81 0.00 0.00 61.98 60.25 3i9v s VAL 162 Cb 0.07 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 3i9v s VAL 162 CO 0.13 -0.16 -0.12 0.68 -0.31 0.00 0.00 175.10 175.32 3i9v s VAL 163 N -0.64 0.93 0.46 1.32 -7.23 -0.69 -1.88 120.40 112.67 3i9v s VAL 163 Ca -0.07 -1.15 0.12 0.00 -1.81 0.00 0.00 61.98 59.07 3i9v s VAL 163 Cb -0.04 -0.90 0.28 0.00 0.56 0.00 0.00 36.38 36.28 3i9v s VAL 163 CO 0.02 -0.22 2.08 1.55 -0.31 0.00 0.00 175.10 178.22 3i9v h PRO 164 N 4.52 0.29 -1.44 4.82 0.13 -1.82 -3.31 132.00 135.20 3i9v h PRO 164 Ca -0.38 -0.02 0.30 0.00 -0.87 0.00 0.00 66.00 65.03 3i9v h PRO 164 Cb 1.19 -0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.11 3i9v h PRO 164 CO 0.41 0.19 0.83 1.52 -0.23 0.00 0.00 178.00 180.72 3i9v s TYR 165 N -5.30 -0.07 0.04 1.56 -0.85 -1.26 -4.59 117.35 106.88 3i9v s TYR 165 Ca -0.07 -0.01 -0.21 0.00 -0.52 0.00 0.00 57.07 56.27 3i9v s TYR 165 Cb 0.18 0.53 -0.06 0.00 0.38 0.00 0.00 41.96 42.99 3i9v s TYR 165 CO 0.71 -0.24 0.61 0.14 -1.52 0.00 0.00 175.55 175.25 3i9v s VAL 166 N -2.41 4.79 0.79 -3.49 -7.23 -1.26 -4.65 120.40 106.95 3i9v s VAL 166 Ca 0.12 1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 61.42 3i9v s VAL 166 Cb 0.03 -3.94 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 3i9v s VAL 166 CO -0.04 0.48 0.25 0.54 -0.31 0.00 0.00 175.10 176.02 3i9v n ARG 167 N 2.22 0.09 0.08 4.82 1.74 -1.26 -4.86 116.66 119.49 3i9v n ARG 167 Ca -0.08 0.07 0.02 0.00 -0.77 0.00 0.00 57.85 57.08 3i9v n ARG 167 Cb 0.51 -1.64 0.36 0.00 -1.02 0.00 0.00 32.46 30.66 3i9v n ARG 167 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3i9v h PRO 168 N -0.70 0.34 0.00 5.56 0.11 -1.96 -2.84 132.00 132.50 3i9v h PRO 168 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i9v h PRO 168 Cb 1.34 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i9v h PRO 168 CO 0.38 0.43 0.00 0.93 -0.21 0.00 0.00 178.00 179.53 3i9v h GLU 169 N 0.32 0.00 -0.91 1.05 3.07 -2.00 -2.58 114.58 113.53 3i9v h GLU 169 Ca 0.07 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.36 3i9v h GLU 169 Cb 0.35 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.97 3i9v h GLU 169 CO 0.02 0.00 0.56 1.28 -1.40 0.00 0.00 179.01 179.47 3i9v n LEU 170 N -2.64 6.78 -4.48 1.33 4.77 -1.07 -4.93 117.00 116.75 3i9v n LEU 170 Ca -0.00 -4.05 -0.48 0.00 -0.03 0.00 0.00 56.01 51.44 3i9v n LEU 170 Cb 0.16 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 3i9v n LEU 170 CO 0.19 1.37 1.84 1.21 -1.33 0.00 0.00 177.39 180.67 3i9v n GLU 171 N -1.00 1.21 0.00 3.23 4.07 -0.97 -1.41 120.64 125.77 3i9v n GLU 171 Ca 0.57 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.98 3i9v n GLU 171 Cb 1.07 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 3i9v n GLU 171 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i9v n GLY 172 N 6.37 3.12 3.24 8.31 0.00 -1.26 -4.83 105.19 120.13 3i9v n GLY 172 Ca 0.40 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3i9v n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i9v n PHE 173 N 0.00 0.01 -2.14 1.61 7.35 -0.50 -4.82 117.46 118.97 3i9v n PHE 173 Ca 0.00 -0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3i9v n PHE 173 Cb 0.00 -0.52 -0.03 0.00 0.35 0.00 0.00 39.48 39.28 3i9v n PHE 173 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3i9v s LYS 174 N 5.96 4.27 0.26 -4.13 1.02 -1.26 -4.99 119.74 120.86 3i9v s LYS 174 Ca 0.62 2.08 -0.10 0.00 0.02 0.00 0.00 55.97 58.59 3i9v s LYS 174 Cb -0.39 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 3i9v s LYS 174 CO 0.26 -0.59 0.44 0.00 -0.92 0.00 0.00 175.35 174.54 3i9v s ALA 175 N 2.23 0.06 -0.54 5.17 0.00 -1.26 -5.03 121.76 122.40 3i9v s ALA 175 Ca 0.67 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 3i9v s ALA 175 Cb -0.35 1.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.83 3i9v s ALA 175 CO 0.29 -0.82 2.29 -1.25 0.00 0.00 0.00 175.76 176.27 3i9v s PRO 176 N -3.86 2.18 -0.05 0.00 0.04 -1.26 -4.81 135.00 127.24 3i9v s PRO 176 Ca 0.25 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.54 3i9v s PRO 176 Cb 0.00 -4.56 0.12 0.00 0.04 0.00 0.00 34.50 30.09 3i9v s PRO 176 CO 0.11 -3.24 1.01 0.25 0.04 0.00 0.00 177.00 175.17 3i9v n THR 177 N 7.88 1.13 0.07 1.26 -2.24 -1.26 -1.71 114.28 119.41 3i9v n THR 177 Ca 0.34 -1.28 0.21 0.00 -2.27 0.00 0.00 64.05 61.04 3i9v n THR 177 Cb 0.54 0.26 0.69 0.00 -2.10 0.00 0.00 70.33 69.71 3i9v n THR 177 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3i9v h GLU 178 N 0.00 0.00 0.00 -0.78 5.08 -1.88 -3.41 114.58 113.60 3i9v h GLU 178 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i9v h GLU 178 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3i9v h GLU 178 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42