#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 0.87 -0.11 -0.72 -0.02 -1.26 -3.53 135.00 130.22 3i9v n PRO 27 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 3i9v n PRO 27 Cb 0.00 -1.14 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.32 1.94 -4.65 2.55 8.00 -1.26 -4.92 116.55 117.89 3i9v n ASP 28 Ca 0.00 0.11 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 3i9v n ASP 28 Cb 0.07 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.43 3.55 0.23 2.24 0.00 -1.23 -5.08 121.76 119.04 3i9v s ALA 29 Ca -0.31 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 50.47 3i9v s ALA 29 Cb 0.10 -2.22 -0.12 0.00 0.00 0.00 0.00 23.12 20.88 3i9v s ALA 29 CO 0.45 -0.11 1.65 -0.35 0.00 0.00 0.00 175.76 177.40 3i9v n PRO 30 N 4.12 2.63 -2.46 0.00 -0.04 -1.26 -4.87 135.00 133.12 3i9v n PRO 30 Ca -0.15 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 3i9v n PRO 30 Cb 0.52 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 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 0.74 4.17 -0.20 0.52 1.01 -0.73 -4.68 120.40 121.23 3i9v s VAL 31 Ca 0.72 1.54 -0.27 0.00 0.00 0.00 0.00 61.98 63.97 3i9v s VAL 31 Cb -0.54 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 3i9v s VAL 31 CO 0.39 0.09 0.95 0.00 0.00 0.00 0.00 175.10 176.52 3i9v s ALA 32 N 1.37 3.60 0.18 5.51 0.00 -1.26 -1.72 121.76 129.43 3i9v s ALA 32 Ca 0.57 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.72 3i9v s ALA 32 Cb -0.27 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3i9v s ALA 32 CO 0.27 -0.87 0.00 -0.51 0.00 0.00 0.00 175.76 174.65 3i9v s LEU 33 N 2.71 3.31 0.64 0.00 1.02 -0.76 -4.95 118.68 120.66 3i9v s LEU 33 Ca 0.42 -0.41 -0.17 0.00 0.02 0.00 0.00 54.13 53.98 3i9v s LEU 33 Cb -0.16 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.09 3i9v s LEU 33 CO 0.10 0.08 1.17 -0.54 0.02 0.00 0.00 176.35 177.18 3i9v s LYS 34 N -3.00 2.74 0.40 1.70 -0.14 -1.26 -4.41 119.74 115.77 3i9v s LYS 34 Ca 0.28 1.67 0.28 0.00 -1.36 0.00 0.00 55.97 56.83 3i9v s LYS 34 Cb -0.09 -1.92 1.43 0.00 -1.68 0.00 0.00 37.83 35.57 3i9v s LYS 34 CO 0.19 -1.35 1.85 -1.00 -0.76 0.00 0.00 175.35 174.28 3i9v h PRO 35 N 0.36 0.00 0.00 -1.68 0.13 -1.97 -2.03 132.00 126.81 3i9v h PRO 35 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3i9v h PRO 35 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3i9v h PRO 35 CO 0.53 0.00 -0.70 -2.13 -0.23 0.00 0.00 178.00 175.48 3i9v n ARG 36 N -2.50 0.20 -1.15 0.86 3.00 -1.26 -4.35 116.66 111.45 3i9v n ARG 36 Ca -0.01 0.04 -0.37 0.00 -0.00 0.00 0.00 57.85 57.51 3i9v n ARG 36 Cb 0.10 -1.60 0.02 0.00 0.00 0.00 0.00 32.46 30.98 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 -1.88 -3.37 -3.48 -0.14 7.35 -0.77 -4.93 117.46 110.25 3i9v n PHE 37 Ca 0.04 0.32 -0.43 0.00 -0.76 0.00 0.00 57.45 56.62 3i9v n PHE 37 Cb 0.41 -1.57 -0.06 0.00 0.35 0.00 0.00 39.48 38.60 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 -1.93 3.50 0.00 -5.13 3.76 -1.26 -4.66 115.29 109.56 3i9v s HIS 38 Ca 0.51 -1.98 0.00 0.00 -0.15 0.00 0.00 55.06 53.44 3i9v s HIS 38 Cb -0.40 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.69 3i9v s HIS 38 CO 0.68 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 3i9v n GLY 39 N 4.41 4.79 3.68 -2.22 0.00 0.32 -4.95 105.19 111.21 3i9v n GLY 39 Ca 0.01 -2.05 -0.48 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.05 2.18 -1.48 1.61 0.63 -0.27 -3.72 116.66 115.55 3i9v n ARG 40 Ca 0.00 0.80 -0.43 0.00 -0.92 0.00 0.00 57.85 57.30 3i9v n ARG 40 Cb 0.00 -2.62 -0.00 0.00 0.45 0.00 0.00 32.46 30.29 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 5.82 -0.09 -4.54 -0.14 8.25 -1.26 -1.65 115.22 121.62 3i9v n HIS 41 Ca 0.21 0.66 -0.21 0.00 -0.26 0.00 0.00 57.72 58.12 3i9v n HIS 41 Cb 0.29 -2.05 -0.15 0.00 1.12 0.00 0.00 29.99 29.21 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 -1.34 0.95 0.04 1.59 -7.23 0.51 -4.73 120.40 110.19 3i9v s VAL 42 Ca 0.62 -0.51 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 3i9v s VAL 42 Cb -0.65 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 35.43 3i9v s VAL 42 CO 0.58 0.27 0.53 -0.76 -0.31 0.00 0.00 175.10 175.41 3i9v s LEU 43 N -0.28 4.50 0.36 1.32 1.43 -0.72 -1.14 118.68 124.15 3i9v s LEU 43 Ca 0.05 1.17 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 3i9v s LEU 43 Cb -0.05 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 3i9v s LEU 43 CO -0.00 0.26 0.26 0.42 0.23 0.00 0.00 176.35 177.52 3i9v s THR 44 N -0.95 3.10 0.31 5.49 -4.23 -0.80 -1.37 115.64 117.19 3i9v s THR 44 Ca 0.28 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.42 3i9v s THR 44 Cb -0.19 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.53 3i9v s THR 44 CO 0.17 -0.12 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.86 3i9v s ARG 45 N -3.98 1.78 0.92 3.99 0.52 -1.26 -1.15 118.95 119.77 3i9v s ARG 45 Ca 0.42 -1.84 -0.15 0.00 -0.52 0.00 0.00 55.73 53.64 3i9v s ARG 45 Cb -0.04 -1.76 0.21 0.00 0.52 0.00 0.00 34.95 33.89 3i9v s ARG 45 CO 0.26 0.23 1.25 0.72 0.02 0.00 0.00 175.30 177.78 3i9v n HIS 46 N -0.72 -3.92 0.20 -0.53 8.25 0.08 -4.79 115.22 113.78 3i9v n HIS 46 Ca -0.05 -1.17 -0.15 0.00 -0.26 0.00 0.00 57.72 56.10 3i9v n HIS 46 Cb 0.62 -0.96 -0.08 0.00 1.12 0.00 0.00 29.99 30.68 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 -0.42 -1.02 -0.41 0.11 -1.99 -2.61 132.00 125.66 3i9v h PRO 47 Ca -0.41 0.03 0.30 0.00 0.11 0.00 0.00 66.00 66.03 3i9v h PRO 47 Cb 1.14 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3i9v h PRO 47 CO 0.29 -0.26 1.21 0.09 -0.21 0.00 0.00 178.00 179.13 3i9v n ASN 48 N -5.26 0.00 0.00 -2.05 4.13 -1.26 -4.73 115.26 106.08 3i9v n ASN 48 Ca -0.10 0.75 0.00 0.00 1.68 0.00 0.00 54.58 56.90 3i9v n ASN 48 Cb 0.20 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 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 -1.71 0.55 3.76 7.41 0.00 -0.98 -5.05 105.19 109.18 3i9v n GLY 49 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 4.06 0.38 0.99 2.01 -1.26 -4.72 118.68 120.14 3i9v s LEU 50 Ca 0.00 2.77 -0.27 0.00 0.01 0.00 0.00 54.13 56.64 3i9v s LEU 50 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 46.19 42.07 3i9v s LEU 50 CO 0.00 -1.18 1.26 -1.61 1.01 0.00 0.00 176.35 175.83 3i9v s GLU 51 N -2.53 4.13 0.37 1.70 2.02 0.29 -0.74 118.70 123.93 3i9v s GLU 51 Ca 0.63 2.07 0.16 0.00 0.02 0.00 0.00 54.97 57.85 3i9v s GLU 51 Cb -0.40 -2.85 0.71 0.00 0.10 0.00 0.00 34.13 31.69 3i9v s GLU 51 CO 0.51 -0.33 1.77 0.87 0.02 0.00 0.00 175.26 178.10 3i9v h LYS 52 N 2.92 0.00 -6.65 1.61 1.57 -1.44 -3.41 116.57 111.17 3i9v h LYS 52 Ca -0.49 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.76 3i9v h LYS 52 Cb 1.24 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.59 3i9v h LYS 52 CO 0.64 0.40 0.75 0.00 -0.57 0.00 0.00 179.45 180.67 3i9v n ILE 54 N 3.15 2.44 -3.24 0.00 -5.35 -1.26 -4.45 119.36 110.65 3i9v n ILE 54 Ca 0.09 -3.34 -0.18 0.00 -0.27 0.00 0.00 62.75 59.05 3i9v n ILE 54 Cb 0.41 -0.52 -0.05 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.01 -0.12 0.20 3.28 0.00 -1.26 -4.39 105.19 101.89 3i9v n GLY 55 Ca 0.31 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.16 -6.19 0.03 0.00 2.88 -1.26 -4.91 113.62 101.00 3i9v n SER 57 Ca 0.03 -0.51 -0.13 0.00 -1.33 0.00 0.00 58.87 56.93 3i9v n SER 57 Cb 0.56 -4.82 -0.14 0.00 -0.75 0.00 0.00 64.21 59.06 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 -2.56 0.20 -0.46 2.46 5.85 -1.93 -3.12 115.31 115.76 3i9v h LEU 58 Ca -0.54 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 57.81 3i9v h LEU 58 Cb 1.35 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3i9v h LEU 58 CO 0.53 1.28 0.10 0.00 -0.34 0.00 0.00 178.44 180.01 3i9v h ALA 60 N 0.97 1.12 0.00 0.00 0.00 -1.87 -2.81 119.26 116.67 3i9v h ALA 60 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3i9v h ALA 60 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i9v h ALA 60 CO 0.00 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.55 3i9v h ALA 61 N 1.27 1.36 -0.00 0.00 0.00 -1.31 -2.77 119.26 117.80 3i9v h ALA 61 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i9v h ALA 61 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i9v h ALA 61 CO 0.01 0.34 -0.43 0.00 0.00 0.00 0.00 179.25 179.18 3i9v n ALA 62 N -2.40 3.44 -2.17 0.00 0.00 -0.96 -4.92 120.51 113.50 3i9v n ALA 62 Ca -0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 3i9v n ALA 62 Cb 0.35 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 7.42 0.05 -0.05 0.00 -0.05 -1.26 -2.50 135.00 138.61 3i9v n PRO 64 Ca 0.17 0.29 0.02 0.00 -0.05 0.00 0.00 63.50 63.94 3i9v n PRO 64 Cb 0.45 -1.59 0.05 0.00 -0.05 0.00 0.00 33.50 32.36 3i9v n PRO 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3i9v n ALA 65 N -1.56 2.12 -4.00 0.55 0.00 -1.26 -5.01 120.51 111.35 3i9v n ALA 65 Ca 0.03 -0.97 -0.37 0.00 0.00 0.00 0.00 53.44 52.13 3i9v n ALA 65 Cb 0.18 -0.15 -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 -0.10 -1.54 -0.19 0.00 4.01 -1.04 -4.87 117.16 113.43 3i9v n TYR 66 Ca 0.04 0.37 0.03 0.00 -0.16 0.00 0.00 57.90 58.18 3i9v n TYR 66 Cb 0.28 -3.11 0.09 0.00 -0.31 0.00 0.00 39.34 36.28 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 -4.65 2.14 -3.58 -0.72 0.00 -1.26 -4.96 120.51 107.48 3i9v n ALA 67 Ca -0.18 -1.23 -0.28 0.00 0.00 0.00 0.00 53.44 51.75 3i9v n ALA 67 Cb 0.61 -0.24 -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 -1.21 1.51 -0.14 0.00 1.01 -1.26 -1.48 121.20 119.63 3i9v s ILE 68 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3i9v s ILE 68 Cb 0.09 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 3i9v s ILE 68 CO 0.07 0.44 -0.14 -0.47 0.00 0.00 0.00 174.94 174.84 3i9v s TYR 69 N 0.86 2.79 -0.10 3.97 6.14 0.36 -4.79 117.35 126.58 3i9v s TYR 69 Ca -0.09 -0.85 0.01 0.00 0.64 0.00 0.00 57.07 56.77 3i9v s TYR 69 Cb -0.15 -1.86 0.02 0.00 0.42 0.00 0.00 41.96 40.38 3i9v s TYR 69 CO 0.00 -0.35 -0.11 0.08 0.64 0.00 0.00 175.55 175.82 3i9v s VAL 70 N 0.60 1.16 -0.25 3.14 1.01 -1.26 -1.52 120.40 123.28 3i9v s VAL 70 Ca -0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3i9v s VAL 70 Cb -0.16 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.13 3i9v s VAL 70 CO 0.03 0.38 -0.04 -1.61 0.00 0.00 0.00 175.10 173.86 3i9v s GLU 71 N 1.22 2.96 0.90 2.72 2.02 -0.93 -5.00 118.70 122.60 3i9v s GLU 71 Ca -0.04 -0.90 -0.12 0.00 0.02 0.00 0.00 54.97 53.93 3i9v s GLU 71 Cb -0.14 -3.04 0.18 0.00 0.10 0.00 0.00 34.13 31.22 3i9v s GLU 71 CO -0.03 -0.37 1.24 -1.25 0.02 0.00 0.00 175.26 174.87 3i9v s PRO 72 N 1.38 0.93 -0.05 0.39 0.04 -1.26 0.25 135.00 136.66 3i9v s PRO 72 Ca 0.02 -0.55 -0.30 0.00 0.04 0.00 0.00 61.00 60.20 3i9v s PRO 72 Cb -0.16 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.51 3i9v s PRO 72 CO -0.03 -2.16 0.78 0.00 0.04 0.00 0.00 177.00 175.63 3i9v s ALA 73 N -3.71 -1.80 -0.31 8.56 0.00 0.38 -4.24 121.76 120.63 3i9v s ALA 73 Ca 0.72 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.80 3i9v s ALA 73 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3i9v s ALA 73 CO 0.51 -0.43 0.39 -2.00 0.00 0.00 0.00 175.76 174.23 3i9v s GLU 74 N -1.64 3.76 0.66 0.00 2.12 -1.26 -1.19 118.70 121.15 3i9v s GLU 74 Ca -0.05 -0.19 -0.17 0.00 0.36 0.00 0.00 54.97 54.91 3i9v s GLU 74 Cb -0.00 -3.74 -0.13 0.00 0.26 0.00 0.00 34.13 30.51 3i9v s GLU 74 CO 0.03 -0.44 -0.15 0.09 -0.54 0.00 0.00 175.26 174.25 3i9v n ASN 75 N 5.42 -3.71 -4.41 -1.70 3.02 -1.21 -4.94 115.26 107.72 3i9v n ASN 75 Ca -0.08 0.54 -0.41 0.00 -0.03 0.00 0.00 54.58 54.59 3i9v n ASN 75 Cb 0.50 -0.90 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 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 5.88 0.39 6.41 -1.08 -1.25 -4.98 116.67 120.95 3i9v s ASP 76 Ca 0.55 -0.94 0.21 0.00 -0.52 0.00 0.00 52.55 51.85 3i9v s ASP 76 Cb -0.40 -2.08 1.22 0.00 -1.46 0.00 0.00 42.92 40.20 3i9v s ASP 76 CO 0.68 -0.40 1.67 -0.65 0.52 0.00 0.00 175.17 176.99 3i9v h PRO 77 N 8.51 0.24 -0.03 4.34 0.11 -1.99 0.01 132.00 143.19 3i9v h PRO 77 Ca -0.26 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3i9v h PRO 77 Cb 1.11 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.17 3i9v h PRO 77 CO 0.69 0.16 -0.36 1.49 -0.21 0.00 0.00 178.00 179.77 3i9v h GLU 78 N 0.25 0.30 -2.94 1.05 4.57 -2.03 -3.41 114.58 112.37 3i9v h GLU 78 Ca 0.73 -0.28 -0.61 0.00 -1.18 0.00 0.00 59.36 58.02 3i9v h GLU 78 Cb 1.97 0.07 -0.41 0.00 -0.16 0.00 0.00 28.75 30.22 3i9v h GLU 78 CO -0.46 0.96 -0.69 1.21 -1.18 0.00 0.00 179.01 178.84 3i9v s ASN 79 N -6.44 3.85 0.54 1.04 2.47 -0.11 -5.12 114.94 111.17 3i9v s ASN 79 Ca -0.15 -3.41 -0.19 0.00 0.42 0.00 0.00 52.86 49.53 3i9v s ASN 79 Cb 0.03 -1.28 -0.06 0.00 -1.45 0.00 0.00 41.25 38.49 3i9v s ASN 79 CO 0.77 -0.15 1.09 -2.16 -3.72 0.00 0.00 177.10 172.94 3i9v s PRO 80 N -0.73 3.45 -0.19 0.43 0.04 -0.61 -3.97 135.00 133.41 3i9v s PRO 80 Ca 0.25 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 3i9v s PRO 80 Cb -0.08 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 3i9v s PRO 80 CO -0.13 -0.74 -0.18 0.28 0.04 0.00 0.00 177.00 176.26 3i9v n VAL 81 N -1.37 1.10 -2.78 -0.36 0.31 -1.26 -4.97 118.33 109.00 3i9v n VAL 81 Ca 0.10 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3i9v n VAL 81 Cb 0.52 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 -3.19 0.71 -0.08 4.52 3.41 -1.26 -0.55 113.62 117.18 3i9v n SER 82 Ca -0.35 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.05 3i9v n SER 82 Cb 0.85 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.67 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 1.16 -1.00 7.33 0.00 -1.26 -4.90 120.51 118.84 3i9v n ALA 83 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3i9v n ALA 83 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 1.98 -1.28 0.74 0.00 0.00 -1.26 -4.92 105.19 100.45 3i9v n GLY 84 Ca -0.41 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 2.82 -3.71 1.61 0.28 -1.26 -4.84 120.64 115.54 3i9v n GLU 85 Ca 0.00 -2.56 -0.15 0.00 -0.16 0.00 0.00 57.16 54.28 3i9v n GLU 85 Cb 0.00 -1.64 -0.15 0.00 1.43 0.00 0.00 31.44 31.08 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 -2.27 0.05 0.31 3.44 3.52 -1.26 -3.34 118.95 119.40 3i9v s ARG 86 Ca 0.35 0.44 0.03 0.00 -0.13 0.00 0.00 55.73 56.42 3i9v s ARG 86 Cb 0.27 -0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 3i9v s ARG 86 CO 0.10 -0.23 0.13 1.52 -0.81 0.00 0.00 175.30 176.01 3i9v s TYR 87 N 1.68 1.66 -0.64 5.12 -0.85 -0.33 -4.23 117.35 119.75 3i9v s TYR 87 Ca -0.03 -1.27 -0.18 0.00 -0.52 0.00 0.00 57.07 55.07 3i9v s TYR 87 Cb -0.12 -0.96 0.12 0.00 0.38 0.00 0.00 41.96 41.38 3i9v s TYR 87 CO -0.06 -0.39 0.73 0.00 -1.52 0.00 0.00 175.55 174.32 3i9v s ALA 88 N -3.54 3.51 0.06 9.51 0.00 -1.26 -0.47 121.76 129.56 3i9v s ALA 88 Ca 0.34 -2.43 -0.36 0.00 0.00 0.00 0.00 51.96 49.52 3i9v s ALA 88 Cb 0.06 -3.55 -0.19 0.00 0.00 0.00 0.00 23.12 19.43 3i9v s ALA 88 CO 0.16 -2.37 1.54 -0.22 0.00 0.00 0.00 175.76 174.87 3i9v h LYS 89 N 8.97 -1.21 -5.56 0.00 3.64 -0.38 -3.41 116.57 118.62 3i9v h LYS 89 Ca -0.21 0.08 -0.66 0.00 -1.27 0.00 0.00 60.65 58.59 3i9v h LYS 89 Cb 1.08 0.28 -0.23 0.00 -0.41 0.00 0.00 32.23 32.94 3i9v h LYS 89 CO 1.06 -0.81 -0.72 0.08 -2.27 0.00 0.00 179.45 176.79 3i9v s VAL 90 N -5.81 3.49 -0.17 2.00 1.01 -0.55 -5.00 120.40 115.36 3i9v s VAL 90 Ca -0.19 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3i9v s VAL 90 Cb 0.02 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.98 3i9v s VAL 90 CO 0.57 0.53 0.04 -0.47 0.00 0.00 0.00 175.10 175.77 3i9v s TYR 91 N 0.03 0.86 -0.06 5.22 5.04 -1.26 -2.18 117.35 124.99 3i9v s TYR 91 Ca -0.02 -0.69 0.01 0.00 -2.44 0.00 0.00 57.07 53.93 3i9v s TYR 91 Cb -0.14 -0.95 0.02 0.00 0.35 0.00 0.00 41.96 41.24 3i9v s TYR 91 CO 0.03 -0.56 -0.06 -1.21 -1.34 0.00 0.00 175.55 172.41 3i9v s GLU 92 N 1.91 1.13 -0.18 4.97 2.02 -0.58 -2.23 118.70 125.75 3i9v s GLU 92 Ca 0.00 -0.18 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 3i9v s GLU 92 Cb -0.16 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 32.95 3i9v s GLU 92 CO -0.08 -0.11 -0.15 0.42 0.02 0.00 0.00 175.26 175.35 3i9v s ILE 93 N 1.12 2.48 -0.71 -1.63 1.01 -1.10 -0.48 121.20 121.88 3i9v s ILE 93 Ca -0.07 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 3i9v s ILE 93 Cb -0.14 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3i9v s ILE 93 CO -0.01 0.51 1.72 0.21 0.00 0.00 0.00 174.94 177.37 3i9v s ASN 94 N 1.24 5.52 0.21 3.58 3.84 -0.55 -2.01 114.94 126.77 3i9v s ASN 94 Ca 0.03 -0.10 0.12 0.00 0.21 0.00 0.00 52.86 53.12 3i9v s ASN 94 Cb -0.14 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 38.70 3i9v s ASN 94 CO -0.08 -2.26 1.35 0.23 -2.79 0.00 0.00 177.10 173.54 3i9v n MET 95 N 9.16 0.08 0.11 0.43 2.81 -0.99 -1.36 117.12 127.37 3i9v n MET 95 Ca 0.20 0.56 -0.23 0.00 -1.81 0.00 0.00 57.70 56.43 3i9v n MET 95 Cb 0.51 -1.84 -0.15 0.00 -0.71 0.00 0.00 33.22 31.03 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 0.68 -0.54 4.03 3.38 -1.89 -3.35 115.31 117.63 3i9v h LEU 96 Ca 0.00 -0.84 -0.16 0.00 0.09 0.00 0.00 57.88 56.97 3i9v h LEU 96 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3i9v h LEU 96 CO 0.00 1.68 -0.57 0.03 0.09 0.00 0.00 178.44 179.67 3i9v h ARG 97 N 0.12 0.48 -6.75 1.13 -0.00 -1.59 -3.46 114.38 104.31 3i9v h ARG 97 Ca -0.28 -0.31 -0.54 0.00 -0.50 0.00 0.00 59.98 58.36 3i9v h ARG 97 Cb 2.12 0.04 0.08 0.00 0.00 0.00 0.00 29.97 32.21 3i9v h ARG 97 CO 0.22 0.92 0.89 0.00 0.00 0.00 0.00 179.97 182.00 3i9v n ILE 99 N 2.47 0.59 -1.88 0.00 0.13 -1.26 -4.99 119.36 114.42 3i9v n ILE 99 Ca 0.10 -0.65 0.00 0.00 -1.10 0.00 0.00 62.75 61.10 3i9v n ILE 99 Cb 0.36 -0.20 0.00 0.00 -0.84 0.00 0.00 39.64 38.96 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 -2.47 0.00 -0.02 9.51 3.01 -1.26 -5.02 117.46 121.20 3i9v n PHE 100 Ca -0.16 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.14 3i9v n PHE 100 Cb 0.81 -1.93 -0.10 0.00 -0.01 0.00 0.00 39.48 38.25 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 0.90 0.72 0.32 0.00 0.00 -1.26 -4.93 105.19 100.94 3i9v n GLY 102 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.46 -0.13 0.99 3.38 -1.94 -0.55 115.31 117.52 3i9v h LEU 103 Ca 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3i9v h LEU 103 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i9v h LEU 103 CO 0.00 0.32 -0.31 0.00 0.09 0.00 0.00 178.44 178.53 3i9v h GLU 105 N 0.02 0.00 0.00 0.00 4.81 -1.59 -2.21 114.58 115.62 3i9v h GLU 105 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 3i9v h GLU 105 Cb 0.92 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.32 3i9v h GLU 105 CO 0.07 0.04 -0.97 1.49 -0.73 0.00 0.00 179.01 178.91 3i9v h GLU 106 N 0.00 0.65 0.00 1.92 4.81 -0.80 -3.31 114.58 117.85 3i9v h GLU 106 Ca -0.00 -0.70 -0.07 0.00 -0.13 0.00 0.00 59.36 58.45 3i9v h GLU 106 Cb 0.08 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3i9v h GLU 106 CO 0.01 1.29 -0.34 0.00 -0.73 0.00 0.00 179.01 179.24 3i9v h ALA 107 N 0.38 0.81 -2.15 2.92 0.00 -0.81 -3.46 119.26 116.94 3i9v h ALA 107 Ca -0.12 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 3i9v h ALA 107 Cb 1.64 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 19.43 3i9v h ALA 107 CO 0.19 0.43 0.67 0.00 0.00 0.00 0.00 179.25 180.54 3i9v n PRO 109 N 2.87 0.39 0.00 0.00 -0.05 -1.26 -4.38 135.00 132.57 3i9v n PRO 109 Ca 0.16 -0.19 0.00 0.00 -0.05 0.00 0.00 63.50 63.42 3i9v n PRO 109 Cb 0.27 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.23 3i9v n PRO 109 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 3i9v n THR 110 N -1.14 0.00 -1.66 0.52 -2.24 -1.26 -4.99 114.28 103.51 3i9v n THR 110 Ca 0.10 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3i9v n THR 110 Cb 0.33 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.32 0.46 0.00 3.38 0.00 -1.26 -4.97 105.19 104.13 3i9v n GLY 111 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.60 -0.10 -2.59 4.61 0.00 -1.26 -4.61 120.51 115.95 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 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.38 4.47 -0.08 0.00 1.10 -1.26 -1.89 121.20 122.15 3i9v s ILE 113 Ca 0.00 1.03 0.01 0.00 -0.51 0.00 0.00 60.65 61.18 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 -0.74 -0.09 -0.69 -2.11 0.00 0.00 174.94 171.31 3i9v s VAL 114 N 3.76 1.02 0.28 4.00 1.01 -0.29 -3.85 120.40 126.32 3i9v s VAL 114 Ca 0.40 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3i9v s VAL 114 Cb -0.10 -0.99 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 3i9v s VAL 114 CO 0.24 0.35 1.52 -0.76 0.00 0.00 0.00 175.10 176.45 3i9v s LEU 115 N 1.17 4.36 0.00 3.92 1.43 -1.26 -0.37 118.68 127.94 3i9v s LEU 115 Ca -0.05 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3i9v s LEU 115 Cb -0.14 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3i9v s LEU 115 CO -0.02 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.35 3i9v n GLY 116 N 2.09 3.11 0.03 -3.19 0.00 -0.66 -4.67 105.19 101.91 3i9v n GLY 116 Ca 0.07 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.58 1.61 4.01 -1.26 0.12 117.16 120.05 3i9v n TYR 117 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 3i9v n TYR 117 Cb 0.00 -0.32 0.03 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.19 0.65 0.00 7.72 9.92 -1.26 -4.57 116.55 126.81 3i9v n ASP 118 Ca -0.10 0.91 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 3i9v n ASP 118 Cb 0.66 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 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 -1.07 0.00 -1.77 1.24 1.16 -1.26 -1.11 117.46 114.65 3i9v n PHE 119 Ca 0.11 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.28 3i9v n PHE 119 Cb 0.43 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.27 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 2.35 -2.69 3.97 1.02 -1.26 -4.62 120.64 119.38 3i9v n GLU 120 Ca 0.00 -2.49 -0.07 0.00 -0.02 0.00 0.00 57.16 54.58 3i9v n GLU 120 Cb 0.00 -3.28 0.04 0.00 -0.02 0.00 0.00 31.44 28.18 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 7.12 1.77 -2.11 3.49 0.00 -1.26 -4.66 117.12 121.47 3i9v n MET 121 Ca 0.50 -3.53 -0.32 0.00 0.00 0.00 0.00 57.70 54.36 3i9v n MET 121 Cb 0.42 -1.57 -0.01 0.00 0.00 0.00 0.00 33.22 32.06 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 -3.54 3.06 0.23 3.17 0.00 -1.26 -4.93 121.76 118.49 3i9v s ALA 122 Ca 0.30 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.11 3i9v s ALA 122 Cb 0.38 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 20.45 3i9v s ALA 122 CO -0.01 -0.50 0.92 0.34 0.00 0.00 0.00 175.76 176.51 3i9v s ASP 123 N -3.60 -0.08 -0.24 0.00 -1.08 -1.26 -4.70 116.67 105.71 3i9v s ASP 123 Ca 0.57 -0.69 0.01 0.00 -0.52 0.00 0.00 52.55 51.92 3i9v s ASP 123 Cb -0.11 0.60 -0.15 0.00 -1.46 0.00 0.00 42.92 41.81 3i9v s ASP 123 CO 0.43 -1.16 -0.22 -1.22 0.52 0.00 0.00 175.17 173.52 3i9v n TYR 124 N -0.56 0.00 -3.80 -5.34 4.01 -1.26 -4.92 117.16 105.30 3i9v n TYR 124 Ca -0.05 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.32 3i9v n TYR 124 Cb 0.60 -0.90 -0.13 0.00 -0.31 0.00 0.00 39.34 38.60 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 -2.47 3.24 0.10 -0.72 2.02 -1.26 -5.00 118.70 114.61 3i9v s GLU 125 Ca -0.32 -0.75 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 3i9v s GLU 125 Cb 0.09 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 31.06 3i9v s GLU 125 CO 0.53 -0.35 0.84 0.98 0.02 0.00 0.00 175.26 177.28 3i9v n TYR 126 N 4.85 -0.15 0.97 1.61 4.19 -1.26 0.26 117.16 127.63 3i9v n TYR 126 Ca -0.16 0.67 0.09 0.00 3.31 0.00 0.00 57.90 61.82 3i9v n TYR 126 Cb 0.49 -0.60 0.50 0.00 0.49 0.00 0.00 39.34 40.22 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 -4.72 0.00 0.19 2.98 7.64 -1.26 -2.16 113.62 116.29 3i9v n SER 127 Ca 0.03 -0.11 0.08 0.00 1.01 0.00 0.00 58.87 59.87 3i9v n SER 127 Cb 0.17 -0.23 0.21 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.08 6.43 3.32 -0.62 -3.29 116.42 122.18 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 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3i9v h ASP 128 CO 0.00 0.27 0.00 0.18 -1.72 0.00 0.00 179.24 177.97 3i9v n LEU 129 N -3.23 1.28 -4.50 1.55 4.77 -0.92 -4.61 117.00 111.34 3i9v n LEU 129 Ca 0.02 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 3i9v n LEU 129 Cb 0.58 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 3i9v n LEU 129 CO 0.36 0.25 0.92 0.54 -1.33 0.00 0.00 177.39 178.13 3i9v s VAL 130 N -1.90 4.08 0.66 4.08 0.11 -1.24 -2.35 120.40 123.84 3i9v s VAL 130 Ca 0.35 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 3i9v s VAL 130 Cb 0.19 -4.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 3i9v s VAL 130 CO 0.29 -1.59 1.12 -0.31 -3.33 0.00 0.00 175.10 171.28 3i9v s TYR 131 N 4.74 2.55 0.46 1.54 1.51 -0.85 -4.88 117.35 122.41 3i9v s TYR 131 Ca 0.28 1.56 0.05 0.00 -1.01 0.00 0.00 57.07 57.95 3i9v s TYR 131 Cb -0.13 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.48 3i9v s TYR 131 CO 0.13 -1.80 0.13 0.20 -1.11 0.00 0.00 175.55 173.10 3i9v s GLY 132 N -2.49 2.56 0.47 0.71 0.00 -1.26 -2.73 107.32 104.59 3i9v s GLY 132 Ca 0.68 -1.60 0.17 0.00 0.00 0.00 0.00 44.72 43.97 3i9v s GLY 132 CO 0.41 -2.03 2.01 1.70 0.00 0.00 0.00 173.10 175.19 3i9v h LYS 133 N 1.40 0.23 0.00 2.90 3.64 -1.86 0.16 116.57 123.03 3i9v h LYS 133 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3i9v h LYS 133 Cb 1.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3i9v h LYS 133 CO 0.72 0.15 -0.18 -0.85 -2.27 0.00 0.00 179.45 177.02 3i9v n GLU 134 N -4.45 0.08 0.07 1.90 0.00 -1.26 -1.83 120.64 115.13 3i9v n GLU 134 Ca 0.08 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.40 3i9v n GLU 134 Cb 0.39 -1.57 0.19 0.00 0.00 0.00 0.00 31.44 30.44 3i9v n GLU 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3i9v n ASP 135 N -1.70 0.72 -0.00 -1.84 8.00 0.03 -4.45 116.55 117.31 3i9v n ASP 135 Ca 0.06 0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.73 3i9v n ASP 135 Cb 0.36 0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 3i9v n ASP 135 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i9v n MET 136 N -2.14 2.52 -1.14 -1.24 2.81 -1.05 -4.92 117.12 111.96 3i9v n MET 136 Ca 0.03 -0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.56 3i9v n MET 136 Cb 0.44 -0.85 0.06 0.00 -0.71 0.00 0.00 33.22 32.17 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 -1.35 -1.32 -0.27 4.03 4.32 -0.76 -1.75 117.00 119.90 3i9v n LEU 137 Ca -0.00 0.48 0.02 0.00 -0.02 0.00 0.00 56.01 56.49 3i9v n LEU 137 Cb 0.02 -1.07 0.24 0.00 -1.62 0.00 0.00 43.42 40.99 3i9v n LEU 137 CO 0.02 -4.01 1.25 -0.37 -1.22 0.00 0.00 177.39 173.07 3i9v h VAL 138 N -0.62 1.14 0.00 4.08 -1.51 -1.58 -2.16 116.25 115.60 3i9v h VAL 138 Ca -0.44 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.66 3i9v h VAL 138 Cb 1.34 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3i9v h VAL 138 CO 0.37 0.19 -0.03 -2.24 -1.23 0.00 0.00 177.57 174.63 3i9v h ASP 139 N 1.04 0.00 -3.54 4.19 2.03 -1.88 -3.44 116.42 114.83 3i9v h ASP 139 Ca 0.33 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 56.10 3i9v h ASP 139 Cb 0.03 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 38.61 3i9v h ASP 139 CO -0.10 0.03 0.79 0.54 -1.03 0.00 0.00 179.24 179.48 3i9v s VAL 140 N -4.98 2.34 -0.39 4.15 0.11 -0.81 -5.01 120.40 115.82 3i9v s VAL 140 Ca -0.05 0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 3i9v s VAL 140 Cb 0.17 -3.19 0.12 0.00 -1.53 0.00 0.00 36.38 31.94 3i9v s VAL 140 CO 0.67 0.06 0.17 -0.69 -3.33 0.00 0.00 175.10 171.98 3i9v s VAL 141 N -0.37 1.31 0.00 2.04 1.01 -1.26 -4.99 120.40 118.15 3i9v s VAL 141 Ca 0.58 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 60.42 3i9v s VAL 141 Cb -0.45 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3i9v s VAL 141 CO 0.50 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.42 3i9v n GLY 142 N 4.07 3.83 3.95 4.51 0.00 -1.26 -4.87 105.19 115.42 3i9v n GLY 142 Ca 0.04 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.44 2.25 0.09 2.61 -4.23 -1.26 -4.83 115.64 107.84 3i9v s THR 143 Ca 0.00 -0.38 -0.33 0.00 -1.18 0.00 0.00 61.69 59.80 3i9v s THR 143 Cb 0.00 -2.87 -0.14 0.00 1.34 0.00 0.00 72.50 70.83 3i9v s THR 143 CO 0.00 0.00 1.52 0.50 -0.54 0.00 0.00 174.62 176.10 3i9v h LYS 144 N -0.63 -0.75 -0.96 3.99 3.64 -1.91 -1.71 116.57 118.24 3i9v h LYS 144 Ca -0.42 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.09 3i9v h LYS 144 Cb 1.29 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 33.21 3i9v h LYS 144 CO 0.50 -0.50 0.62 -1.00 -2.27 0.00 0.00 179.45 176.80 3i9v h PRO 145 N -0.78 1.04 -0.06 1.90 0.13 -1.89 -1.82 132.00 130.52 3i9v h PRO 145 Ca -0.02 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3i9v h PRO 145 Cb 0.74 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 3i9v h PRO 145 CO -0.21 0.69 -0.02 1.96 -0.23 0.00 0.00 178.00 180.18 3i9v h GLN 146 N 1.07 -0.01 -0.23 0.86 4.20 -1.74 -1.50 115.11 117.76 3i9v h GLN 146 Ca 0.43 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.97 3i9v h GLN 146 Cb 0.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3i9v h GLN 146 CO -0.18 -0.01 -0.55 0.00 -0.67 0.00 0.00 178.83 177.42 3i9v h ARG 147 N -0.01 0.70 -0.43 1.46 3.08 -1.06 -1.07 114.38 117.06 3i9v h ARG 147 Ca 0.03 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 3i9v h ARG 147 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3i9v h ARG 147 CO -0.07 1.07 0.25 -0.09 -1.07 0.00 0.00 179.97 180.06 3i9v h ARG 148 N 0.54 0.58 -0.35 0.04 2.43 -1.29 0.11 114.38 116.44 3i9v h ARG 148 Ca 0.01 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3i9v h ARG 148 Cb 1.13 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3i9v h ARG 148 CO 0.11 0.44 0.02 1.49 -1.51 0.00 0.00 179.97 180.53 3i9v h GLU 149 N 0.56 0.59 0.00 0.20 4.81 -1.21 -1.62 114.58 117.91 3i9v h GLU 149 Ca 0.15 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i9v h GLU 149 Cb 0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3i9v h GLU 149 CO -0.03 0.70 0.00 0.00 -0.73 0.00 0.00 179.01 178.95 3i9v n ALA 150 N -2.37 2.04 -0.05 2.92 0.00 -0.41 -2.46 120.51 120.18 3i9v n ALA 150 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3i9v n ALA 150 Cb 0.25 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.74 0.00 1.63 0.03 -3.21 116.57 114.29 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 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 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 -4.54 0.72 0.00 1.90 1.85 -1.03 -3.11 116.66 112.45 3i9v n ARG 152 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3i9v n ARG 152 Cb 0.09 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 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 0.16 0.00 -1.85 8.89 -1.04 -1.17 -5.03 114.28 114.23 3i9v n THR 153 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3i9v n THR 153 Cb 0.19 -0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.63 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 0.57 0.51 3.23 3.41 0.00 -1.18 -5.01 105.19 106.72 3i9v n GLY 154 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.93 3.08 0.92 1.61 2.47 -1.24 -5.09 119.74 117.56 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 -2.36 -0.06 0.00 -1.46 0.00 0.00 37.83 33.95 3i9v s LYS 155 CO 0.00 0.15 -0.10 -2.30 0.16 0.00 0.00 175.35 173.26 3i9v n PRO 156 N 3.62 -0.09 -2.70 4.03 -0.02 -1.26 -4.60 135.00 133.99 3i9v n PRO 156 Ca -0.19 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 3i9v n PRO 156 Cb 0.53 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 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 -2.16 4.63 -0.33 -1.45 -7.23 -1.26 -4.96 120.40 107.63 3i9v s VAL 157 Ca 0.51 2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 62.67 3i9v s VAL 157 Cb -0.23 -4.29 0.06 0.00 0.56 0.00 0.00 36.38 32.48 3i9v s VAL 157 CO 0.73 0.23 0.07 -0.54 -0.31 0.00 0.00 175.10 175.27 3i9v s LYS 158 N 0.52 2.34 0.57 4.82 1.02 -1.26 -5.07 119.74 122.68 3i9v s LYS 158 Ca 0.50 -1.40 -0.17 0.00 0.02 0.00 0.00 55.97 54.92 3i9v s LYS 158 Cb -0.23 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 3i9v s LYS 158 CO 0.29 -0.74 1.07 0.14 -0.92 0.00 0.00 175.35 175.19 3i9v s VAL 159 N 1.25 3.60 -0.46 3.17 -7.23 -1.26 -4.97 120.40 114.50 3i9v s VAL 159 Ca -0.01 0.86 0.15 0.00 -1.81 0.00 0.00 61.98 61.17 3i9v s VAL 159 Cb -0.20 -3.34 0.79 0.00 0.56 0.00 0.00 36.38 34.19 3i9v s VAL 159 CO -0.01 -0.35 1.72 0.61 -0.31 0.00 0.00 175.10 176.76 3i9v n GLY 160 N -0.51 2.98 3.42 2.32 0.00 -1.26 -4.98 105.19 107.17 3i9v n GLY 160 Ca 0.10 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.55 1.89 -0.04 1.61 -0.85 -1.26 -1.77 117.35 114.37 3i9v s TYR 161 Ca 0.54 -0.84 -0.09 0.00 -0.52 0.00 0.00 57.07 56.15 3i9v s TYR 161 Cb 0.40 -1.15 0.01 0.00 0.38 0.00 0.00 41.96 41.60 3i9v s TYR 161 CO 0.18 0.11 0.22 0.14 -1.52 0.00 0.00 175.55 174.68 3i9v s VAL 162 N -3.20 0.05 0.05 -3.49 -7.23 -0.70 -4.75 120.40 101.12 3i9v s VAL 162 Ca 0.32 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.15 3i9v s VAL 162 Cb 0.06 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 3i9v s VAL 162 CO 0.13 -0.21 -0.11 0.68 -0.31 0.00 0.00 175.10 175.28 3i9v s VAL 163 N -0.80 0.84 0.43 1.32 -7.23 -0.61 -1.82 120.40 112.53 3i9v s VAL 163 Ca -0.09 -1.10 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 3i9v s VAL 163 Cb -0.05 -0.83 0.29 0.00 0.56 0.00 0.00 36.38 36.35 3i9v s VAL 163 CO 0.02 -0.23 2.05 1.55 -0.31 0.00 0.00 175.10 178.18 3i9v h PRO 164 N 4.58 0.42 -1.50 4.82 0.13 -1.82 -3.31 132.00 135.33 3i9v h PRO 164 Ca -0.38 -0.03 0.30 0.00 -0.87 0.00 0.00 66.00 65.02 3i9v h PRO 164 Cb 1.19 -0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 3i9v h PRO 164 CO 0.42 0.28 0.81 1.52 -0.23 0.00 0.00 178.00 180.79 3i9v s TYR 165 N -5.41 -0.08 0.01 1.56 -0.85 -1.26 -4.59 117.35 106.74 3i9v s TYR 165 Ca -0.08 -0.02 -0.20 0.00 -0.52 0.00 0.00 57.07 56.26 3i9v s TYR 165 Cb 0.18 0.54 -0.06 0.00 0.38 0.00 0.00 41.96 43.00 3i9v s TYR 165 CO 0.73 -0.27 0.57 0.14 -1.52 0.00 0.00 175.55 175.19 3i9v s VAL 166 N -2.46 4.88 0.84 -3.49 -7.23 -1.26 -4.64 120.40 107.04 3i9v s VAL 166 Ca 0.12 1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 61.34 3i9v s VAL 166 Cb 0.03 -3.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 3i9v s VAL 166 CO -0.04 0.46 0.16 0.54 -0.31 0.00 0.00 175.10 175.91 3i9v n ARG 167 N 2.41 0.01 0.15 4.82 1.74 -1.26 -4.86 116.66 119.67 3i9v n ARG 167 Ca -0.08 0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3i9v n ARG 167 Cb 0.51 -1.60 0.39 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.88 0.16 0.00 5.56 0.11 -1.96 -2.89 132.00 132.09 3i9v h PRO 168 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i9v h PRO 168 Cb 1.32 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3i9v h PRO 168 CO 0.36 0.37 0.00 0.93 -0.21 0.00 0.00 178.00 179.44 3i9v h GLU 169 N 0.15 0.00 -0.93 1.05 3.07 -2.00 -2.76 114.58 113.16 3i9v h GLU 169 Ca 0.03 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.29 3i9v h GLU 169 Cb 0.45 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.07 3i9v h GLU 169 CO 0.03 0.00 0.59 1.28 -1.40 0.00 0.00 179.01 179.51 3i9v n LEU 170 N -2.81 6.95 -4.50 1.33 4.77 -1.09 -4.93 117.00 116.72 3i9v n LEU 170 Ca -0.00 -4.13 -0.47 0.00 -0.03 0.00 0.00 56.01 51.37 3i9v n LEU 170 Cb 0.19 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 3i9v n LEU 170 CO 0.22 1.42 1.84 1.21 -1.33 0.00 0.00 177.39 180.75 3i9v n GLU 171 N -0.97 1.31 0.00 3.23 4.07 -1.04 -1.53 120.64 125.71 3i9v n GLU 171 Ca 0.58 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 58.02 3i9v n GLU 171 Cb 0.97 -2.74 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 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 6.29 3.02 3.19 8.31 0.00 -1.26 -4.82 105.19 119.91 3i9v n GLY 172 Ca 0.38 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -2.20 1.61 7.35 -0.58 -4.82 117.46 118.82 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 -0.48 -0.03 0.00 0.35 0.00 0.00 39.48 39.32 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 6.01 4.29 0.27 -4.13 1.02 -1.26 -4.99 119.74 120.94 3i9v s LYS 174 Ca 0.79 2.01 -0.11 0.00 0.02 0.00 0.00 55.97 58.68 3i9v s LYS 174 Cb -0.51 -3.51 -0.00 0.00 -0.52 0.00 0.00 37.83 33.29 3i9v s LYS 174 CO 0.34 -0.55 0.48 0.00 -0.92 0.00 0.00 175.35 174.70 3i9v s ALA 175 N 2.12 -0.06 -0.56 5.17 0.00 -1.26 -5.03 121.76 122.14 3i9v s ALA 175 Ca 0.65 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 3i9v s ALA 175 Cb -0.33 1.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 3i9v s ALA 175 CO 0.28 -0.84 2.32 -1.25 0.00 0.00 0.00 175.76 176.26 3i9v s PRO 176 N -3.79 2.11 -0.06 0.00 0.04 -1.26 -4.81 135.00 127.23 3i9v s PRO 176 Ca 0.24 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.48 3i9v s PRO 176 Cb -0.01 -4.60 0.13 0.00 0.04 0.00 0.00 34.50 30.06 3i9v s PRO 176 CO 0.11 -3.38 1.02 0.25 0.04 0.00 0.00 177.00 175.04 3i9v n THR 177 N 7.99 1.21 0.06 1.26 -2.24 -1.26 -1.58 114.28 119.73 3i9v n THR 177 Ca 0.36 -1.38 0.21 0.00 -2.27 0.00 0.00 64.05 60.98 3i9v n THR 177 Cb 0.53 0.22 0.69 0.00 -2.10 0.00 0.00 70.33 69.66 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