#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivv s GLY 27 N 0.00 1.63 -0.03 0.46 0.00 -1.26 -4.96 107.32 103.16 3ivv s GLY 27 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 3ivv s GLY 27 CO 0.00 0.71 0.13 0.54 0.00 0.00 0.00 173.10 174.49 3ivv s LYS 28 N -4.69 0.29 -0.33 2.90 1.02 -1.26 -4.49 119.74 113.17 3ivv s LYS 28 Ca 0.66 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 56.31 3ivv s LYS 28 Cb -0.22 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 3ivv s LYS 28 CO 0.59 -0.05 1.31 0.08 -0.92 0.00 0.00 175.35 176.36 3ivv s VAL 29 N -0.52 4.11 -0.06 3.17 1.01 -0.48 -4.88 120.40 122.76 3ivv s VAL 29 Ca -0.06 1.23 0.16 0.00 0.00 0.00 0.00 61.98 63.31 3ivv s VAL 29 Cb -0.04 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 3ivv s VAL 29 CO 0.01 -0.55 0.36 1.33 0.00 0.00 0.00 175.10 176.25 3ivv n VAL 30 N 6.38 0.00 -4.03 2.92 0.24 -1.26 -1.41 118.33 121.17 3ivv n VAL 30 Ca 0.15 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.96 3ivv n VAL 30 Cb 0.47 0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 32.88 3ivv n VAL 30 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ivv s LYS 31 N -3.08 0.27 -0.07 7.34 1.02 -1.26 -1.11 119.74 122.85 3ivv s LYS 31 Ca -0.05 -0.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.46 3ivv s LYS 31 Cb 0.10 -0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.26 3ivv s LYS 31 CO 0.66 0.05 0.62 -0.59 -0.92 0.00 0.00 175.35 175.18 3ivv s PHE 32 N -0.28 -0.59 -0.13 3.18 -0.12 -0.60 -5.00 117.98 114.43 3ivv s PHE 32 Ca -0.01 1.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.94 3ivv s PHE 32 Cb -0.03 0.34 0.02 0.00 -0.63 0.00 0.00 43.02 42.73 3ivv s PHE 32 CO -0.00 -0.55 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.34 3ivv s SER 33 N -1.05 2.66 -0.17 1.98 0.01 -1.26 -0.69 113.70 115.18 3ivv s SER 33 Ca -0.10 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.63 3ivv s SER 33 Cb -0.01 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 3ivv s SER 33 CO 0.08 -0.01 -0.02 -0.47 0.41 0.00 0.00 173.24 173.23 3ivv s TYR 34 N 1.22 3.04 -0.14 2.43 5.04 0.38 -4.95 117.35 124.37 3ivv s TYR 34 Ca -0.01 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 3ivv s TYR 34 Cb -0.14 -2.00 -0.01 0.00 0.35 0.00 0.00 41.96 40.16 3ivv s TYR 34 CO -0.06 -0.08 -0.14 1.41 -1.34 0.00 0.00 175.55 175.33 3ivv s MET 35 N 0.54 3.32 -0.05 4.97 -2.45 -1.26 -0.56 119.30 123.80 3ivv s MET 35 Ca -0.02 -0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 53.69 3ivv s MET 35 Cb -0.14 -2.61 0.03 0.00 1.25 0.00 0.00 34.83 33.35 3ivv s MET 35 CO 0.02 0.15 0.02 -0.46 1.05 0.00 0.00 175.02 175.81 3ivv s TRP 36 N 0.49 0.38 -0.22 4.11 -0.00 -0.22 -5.00 118.94 118.48 3ivv s TRP 36 Ca -0.10 0.02 -0.07 0.00 -0.00 0.00 0.00 56.10 55.96 3ivv s TRP 36 Cb -0.16 -0.62 -0.03 0.00 -0.00 0.00 0.00 33.47 32.66 3ivv s TRP 36 CO 0.04 -0.25 0.05 0.99 -0.00 0.00 0.00 176.95 177.79 3ivv s THR 37 N 1.92 4.31 -0.33 5.86 2.01 -1.26 -0.47 115.64 127.68 3ivv s THR 37 Ca 0.03 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3ivv s THR 37 Cb -0.12 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 3ivv s THR 37 CO -0.04 0.38 0.18 -0.63 -0.69 0.00 0.00 174.62 173.83 3ivv s ILE 38 N 1.22 4.79 0.61 1.82 1.01 0.64 -4.95 121.20 126.34 3ivv s ILE 38 Ca 0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 3ivv s ILE 38 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3ivv s ILE 38 CO 0.03 0.00 1.04 0.20 0.00 0.00 0.00 174.94 176.21 3ivv s ASN 39 N 1.64 5.89 -1.44 3.58 0.01 -1.26 -1.19 114.94 122.16 3ivv s ASN 39 Ca 0.05 1.68 -0.02 0.00 -0.71 0.00 0.00 52.86 53.86 3ivv s ASN 39 Cb -0.17 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 38.99 3ivv s ASN 39 CO 0.07 -1.10 0.42 0.59 -1.51 0.00 0.00 177.10 175.58 3ivv n ASN 40 N -2.28 -0.48 -0.35 -1.22 3.02 -0.53 -4.84 115.26 108.58 3ivv n ASN 40 Ca 0.08 -1.03 -0.01 0.00 -0.03 0.00 0.00 54.58 53.60 3ivv n ASN 40 Cb 0.53 -2.93 0.14 0.00 -0.61 0.00 0.00 39.78 36.91 3ivv n ASN 40 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3ivv h PHE 41 N -1.81 1.21 0.00 3.10 3.57 -1.09 0.24 116.94 122.16 3ivv h PHE 41 Ca -0.63 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 60.90 3ivv h PHE 41 Cb 1.38 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3ivv h PHE 41 CO 0.50 0.74 -0.01 0.66 -2.23 0.00 0.00 178.31 177.97 3ivv h SER 42 N 1.28 0.00 0.28 0.41 4.64 -1.88 -1.60 113.55 116.67 3ivv h SER 42 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3ivv h SER 42 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3ivv h SER 42 CO -0.09 0.01 -0.28 0.49 -0.87 0.00 0.00 176.83 176.08 3ivv n PHE 43 N -3.21 0.00 -1.64 4.77 3.72 0.07 -4.93 117.46 116.24 3ivv n PHE 43 Ca -0.03 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 56.87 3ivv n PHE 43 Cb 0.10 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 3ivv n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ivv n ARG 45 N 3.65 1.75 -1.67 0.00 1.74 -1.26 -4.96 116.66 115.91 3ivv n ARG 45 Ca 0.20 -1.41 -0.44 0.00 -0.77 0.00 0.00 57.85 55.42 3ivv n ARG 45 Cb 0.22 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 3ivv n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ivv n GLU 46 N 0.61 2.03 -2.38 5.56 4.71 -1.26 -5.00 120.64 124.91 3ivv n GLU 46 Ca 0.12 0.72 -0.24 0.00 -0.01 0.00 0.00 57.16 57.76 3ivv n GLU 46 Cb 0.52 -2.36 0.06 0.00 -1.01 0.00 0.00 31.44 28.64 3ivv n GLU 46 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3ivv s GLU 47 N -0.65 2.34 0.13 3.49 2.02 -1.26 -4.57 118.70 120.21 3ivv s GLU 47 Ca 0.66 -0.47 -0.35 0.00 0.02 0.00 0.00 54.97 54.84 3ivv s GLU 47 Cb -0.64 -2.30 -0.16 0.00 0.10 0.00 0.00 34.13 31.13 3ivv s GLU 47 CO 0.52 -1.02 1.25 -0.12 0.02 0.00 0.00 175.26 175.91 3ivv n MET 48 N -2.68 1.19 0.00 1.61 0.00 -1.26 -1.27 117.12 114.70 3ivv n MET 48 Ca 0.08 0.42 0.00 0.00 -0.00 0.00 0.00 57.70 58.20 3ivv n MET 48 Cb 0.60 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.83 3ivv n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ivv n GLY 49 N 2.27 3.25 3.83 -5.12 0.00 0.29 -4.96 105.19 104.75 3ivv n GLY 49 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ivv n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ivv s GLU 50 N -0.55 4.12 -0.03 1.61 2.02 -0.40 -4.96 118.70 120.51 3ivv s GLU 50 Ca 0.00 0.93 0.06 0.00 0.02 0.00 0.00 54.97 55.98 3ivv s GLU 50 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3ivv s GLU 50 CO 0.00 0.02 -0.19 0.08 0.02 0.00 0.00 175.26 175.18 3ivv s VAL 51 N -2.15 2.64 -0.19 2.63 1.01 -1.26 -4.30 120.40 118.78 3ivv s VAL 51 Ca 0.59 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3ivv s VAL 51 Cb -0.10 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3ivv s VAL 51 CO 0.16 0.56 0.02 -0.63 0.00 0.00 0.00 175.10 175.22 3ivv s ILE 52 N -0.70 4.24 -0.13 2.22 1.01 0.09 -4.96 121.20 122.97 3ivv s ILE 52 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3ivv s ILE 52 Cb -0.10 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3ivv s ILE 52 CO 0.00 0.44 -0.06 -0.75 0.00 0.00 0.00 174.94 174.57 3ivv s LYS 53 N 0.73 3.37 0.92 2.79 2.20 -1.26 -1.06 119.74 127.42 3ivv s LYS 53 Ca 0.01 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.93 3ivv s LYS 53 Cb -0.14 -2.78 0.15 0.00 -1.51 0.00 0.00 37.83 33.55 3ivv s LYS 53 CO 0.02 0.36 1.19 -1.54 -0.36 0.00 0.00 175.35 175.01 3ivv s SER 54 N 0.03 3.48 0.89 1.43 1.04 -0.09 -5.00 113.70 115.47 3ivv s SER 54 Ca -0.01 0.74 -0.10 0.00 0.48 0.00 0.00 55.95 57.06 3ivv s SER 54 Cb -0.14 -1.15 0.13 0.00 0.10 0.00 0.00 66.02 64.96 3ivv s SER 54 CO 0.03 -2.54 1.15 -0.94 0.98 0.00 0.00 173.24 171.91 3ivv s SER 55 N -4.35 3.16 0.11 7.02 1.04 -1.26 -4.66 113.70 114.76 3ivv s SER 55 Ca 0.66 2.17 -0.28 0.00 0.48 0.00 0.00 55.95 58.98 3ivv s SER 55 Cb -0.11 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.38 3ivv s SER 55 CO 0.52 -2.95 0.87 -0.89 0.98 0.00 0.00 173.24 171.77 3ivv s THR 56 N -2.63 4.50 0.17 2.02 2.01 -1.26 -4.51 115.64 115.94 3ivv s THR 56 Ca 0.67 1.87 0.08 0.00 0.31 0.00 0.00 61.69 64.62 3ivv s THR 56 Cb -0.23 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 3ivv s THR 56 CO 0.57 0.39 -0.18 0.72 -0.69 0.00 0.00 174.62 175.43 3ivv s PHE 57 N -0.34 1.82 0.25 4.92 -0.12 0.19 -4.94 117.98 119.77 3ivv s PHE 57 Ca 0.42 -0.47 0.12 0.00 -0.05 0.00 0.00 56.93 56.94 3ivv s PHE 57 Cb -0.23 -0.90 -0.05 0.00 -0.63 0.00 0.00 43.02 41.21 3ivv s PHE 57 CO 0.27 0.34 -0.20 -1.12 -0.05 0.00 0.00 175.22 174.46 3ivv s SER 58 N -2.72 3.63 0.05 1.98 0.01 -1.26 -0.25 113.70 115.14 3ivv s SER 58 Ca 0.16 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 3ivv s SER 58 Cb -0.05 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3ivv s SER 58 CO 0.07 0.06 0.09 -1.54 0.41 0.00 0.00 173.24 172.33 3ivv n SER 59 N -0.34 -0.25 0.00 2.44 3.41 0.13 -5.00 113.62 114.01 3ivv n SER 59 Ca -0.08 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 3ivv n SER 59 Cb 0.59 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 3ivv n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ivv n GLY 60 N -0.08 -0.21 3.77 5.00 0.00 -0.50 -1.48 105.19 111.69 3ivv n GLY 60 Ca -0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3ivv n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivv s ALA 61 N -1.44 3.52 -0.92 4.61 0.00 -1.26 -1.38 121.76 124.89 3ivv s ALA 61 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3ivv s ALA 61 Cb 0.00 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.51 3ivv s ALA 61 CO 0.00 0.19 0.25 0.09 0.00 0.00 0.00 175.76 176.29 3ivv n ASN 62 N 2.73 -2.72 -1.56 0.00 3.02 -1.26 -1.43 115.26 114.05 3ivv n ASN 62 Ca -0.08 -0.09 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 3ivv n ASN 62 Cb 0.51 -2.33 -0.01 0.00 -0.61 0.00 0.00 39.78 37.34 3ivv n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ivv n ASP 63 N -1.96 -4.38 0.02 6.41 8.00 -1.26 -4.92 116.55 118.46 3ivv n ASP 63 Ca -0.02 0.03 0.13 0.00 0.71 0.00 0.00 54.79 55.63 3ivv n ASP 63 Cb 0.53 -3.50 0.43 0.00 -0.02 0.00 0.00 41.12 38.56 3ivv n ASP 63 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ivv n LYS 64 N -2.39 0.07 -3.38 -1.24 4.76 -0.51 -4.57 118.16 110.89 3ivv n LYS 64 Ca -0.17 0.04 -0.39 0.00 -2.87 0.00 0.00 58.31 54.93 3ivv n LYS 64 Cb 0.61 -1.56 -0.08 0.00 -1.84 0.00 0.00 35.03 32.16 3ivv n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ivv s LEU 65 N -3.34 4.09 -0.11 -0.35 1.43 -0.55 -3.98 118.68 115.88 3ivv s LEU 65 Ca 0.12 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3ivv s LEU 65 Cb 0.17 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 3ivv s LEU 65 CO 0.61 -0.14 -0.16 -0.54 0.23 0.00 0.00 176.35 176.35 3ivv s LYS 66 N 1.72 3.19 0.14 1.70 -0.14 -0.51 -0.69 119.74 125.15 3ivv s LYS 66 Ca 0.17 -0.74 0.05 0.00 -1.36 0.00 0.00 55.97 54.09 3ivv s LYS 66 Cb -0.15 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 3ivv s LYS 66 CO 0.09 0.25 -0.11 -1.58 -0.76 0.00 0.00 175.35 173.24 3ivv s TRP 67 N 0.22 1.27 0.23 3.18 0.52 0.65 -0.01 118.94 125.01 3ivv s TRP 67 Ca -0.10 -0.71 -0.12 0.00 0.02 0.00 0.00 56.10 55.18 3ivv s TRP 67 Cb -0.16 -0.65 -0.00 0.00 -1.15 0.00 0.00 33.47 31.51 3ivv s TRP 67 CO 0.06 0.09 0.44 0.00 0.02 0.00 0.00 176.95 177.56 3ivv s LEU 69 N -3.01 4.29 -0.08 0.00 1.43 -1.26 -0.65 118.68 119.41 3ivv s LEU 69 Ca 0.21 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3ivv s LEU 69 Cb 0.00 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.64 3ivv s LEU 69 CO 0.07 0.25 -0.12 -0.13 0.23 0.00 0.00 176.35 176.65 3ivv s ARG 70 N -1.98 1.75 -0.03 1.70 0.52 -0.24 -0.92 118.95 119.75 3ivv s ARG 70 Ca 0.27 -0.41 0.06 0.00 -0.52 0.00 0.00 55.73 55.14 3ivv s ARG 70 Cb -0.13 -1.51 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 3ivv s ARG 70 CO 0.19 -0.03 -0.22 0.54 0.02 0.00 0.00 175.30 175.80 3ivv s VAL 71 N 0.88 1.77 -0.45 3.52 0.11 -0.23 -1.01 120.40 124.99 3ivv s VAL 71 Ca -0.10 -0.94 -0.10 0.00 -2.93 0.00 0.00 61.98 57.91 3ivv s VAL 71 Cb -0.15 -1.48 0.10 0.00 -1.53 0.00 0.00 36.38 33.31 3ivv s VAL 71 CO 0.01 0.50 0.32 0.20 -3.33 0.00 0.00 175.10 172.80 3ivv s ASN 72 N -0.33 5.75 0.55 3.54 -0.87 0.04 -0.73 114.94 122.91 3ivv s ASN 72 Ca 0.03 -1.66 0.23 0.00 -1.57 0.00 0.00 52.86 49.89 3ivv s ASN 72 Cb -0.10 -2.03 1.54 0.00 -0.02 0.00 0.00 41.25 40.63 3ivv s ASN 72 CO 0.01 -0.63 2.20 -0.65 -2.57 0.00 0.00 177.10 175.46 3ivv h PRO 73 N 8.49 0.00 -0.22 -0.60 0.11 -1.85 -1.91 132.00 136.03 3ivv h PRO 73 Ca -0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 3ivv h PRO 73 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3ivv h PRO 73 CO 0.83 0.00 -0.12 1.63 -0.21 0.00 0.00 178.00 180.14 3ivv n LYS 74 N -4.20 1.96 0.00 1.05 5.02 -1.26 -4.45 118.16 116.28 3ivv n LYS 74 Ca -0.03 -3.03 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 3ivv n LYS 74 Cb 0.09 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 3ivv n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ivv n GLY 75 N -1.03 -0.79 0.29 0.72 0.00 -0.72 -4.18 105.19 99.47 3ivv n GLY 75 Ca 0.25 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3ivv n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ivv h LEU 76 N 0.00 1.00 0.00 0.99 5.85 -1.82 0.85 115.31 122.18 3ivv h LEU 76 Ca 0.00 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 3ivv h LEU 76 Cb 0.00 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3ivv h LEU 76 CO 0.00 1.11 0.09 -0.90 -0.34 0.00 0.00 178.44 178.39 3ivv n ASP 77 N -4.19 -1.26 -0.27 1.25 5.68 -1.26 -3.51 116.55 112.99 3ivv n ASP 77 Ca 0.01 -2.07 -0.05 0.00 -0.50 0.00 0.00 54.79 52.19 3ivv n ASP 77 Cb 0.39 2.16 0.10 0.00 -1.14 0.00 0.00 41.12 42.62 3ivv n ASP 77 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3ivv h GLU 78 N 0.00 1.13 -0.75 0.11 4.57 -1.96 -1.73 114.58 115.95 3ivv h GLU 78 Ca -0.20 -0.19 0.14 0.00 -1.18 0.00 0.00 59.36 57.93 3ivv h GLU 78 Cb 0.77 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 3ivv h GLU 78 CO 0.26 0.91 0.50 0.93 -1.18 0.00 0.00 179.01 180.42 3ivv h GLU 79 N 1.11 0.42 -0.28 1.92 5.08 -2.01 -2.55 114.58 118.27 3ivv h GLU 79 Ca 0.26 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3ivv h GLU 79 Cb 0.19 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3ivv h GLU 79 CO -0.02 0.28 -0.01 -1.13 -1.00 0.00 0.00 179.01 177.13 3ivv n SER 80 N -4.48 3.49 0.29 1.42 3.41 -0.73 -4.72 113.62 112.30 3ivv n SER 80 Ca 0.14 -3.20 0.17 0.00 -0.26 0.00 0.00 58.87 55.72 3ivv n SER 80 Cb 0.51 -0.56 0.95 0.00 -0.26 0.00 0.00 64.21 64.85 3ivv n SER 80 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3ivv h LYS 81 N 1.51 0.00 -0.27 4.33 2.10 -0.92 -0.91 116.57 122.41 3ivv h LYS 81 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3ivv h LYS 81 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 3ivv h LYS 81 CO 0.26 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.46 3ivv n ASP 82 N -3.67 2.12 -4.28 7.07 8.00 -1.26 -4.66 116.55 119.86 3ivv n ASP 82 Ca -0.02 -1.84 -0.16 0.00 0.71 0.00 0.00 54.79 53.48 3ivv n ASP 82 Cb 0.14 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 40.97 3ivv n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ivv s TYR 83 N -1.65 1.44 0.03 1.24 2.02 -0.35 -0.96 117.35 119.12 3ivv s TYR 83 Ca 0.32 -0.67 -0.27 0.00 -0.37 0.00 0.00 57.07 56.08 3ivv s TYR 83 Cb 0.18 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.98 3ivv s TYR 83 CO 0.25 0.19 0.85 -0.51 -1.57 0.00 0.00 175.55 174.77 3ivv s LEU 84 N -3.14 4.41 -0.11 -1.29 1.02 -0.11 -1.75 118.68 117.70 3ivv s LEU 84 Ca 0.18 1.53 -0.03 0.00 0.02 0.00 0.00 54.13 55.83 3ivv s LEU 84 Cb 0.01 -3.37 -0.03 0.00 0.02 0.00 0.00 46.19 42.81 3ivv s LEU 84 CO 0.03 -0.10 0.02 -0.44 0.02 0.00 0.00 176.35 175.88 3ivv s SER 85 N 0.41 5.38 -0.04 2.29 0.01 -0.91 -1.77 113.70 119.07 3ivv s SER 85 Ca 0.44 0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.84 3ivv s SER 85 Cb -0.21 -1.65 0.03 0.00 0.21 0.00 0.00 66.02 64.40 3ivv s SER 85 CO 0.25 0.33 -0.00 -0.22 0.41 0.00 0.00 173.24 174.01 3ivv s LEU 86 N -0.59 0.97 0.04 2.44 2.96 -0.48 -0.78 118.68 123.25 3ivv s LEU 86 Ca 0.10 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3ivv s LEU 86 Cb -0.12 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 3ivv s LEU 86 CO 0.02 -0.13 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.52 3ivv s TYR 87 N 1.33 0.85 -0.23 5.38 2.02 -0.18 -0.76 117.35 125.76 3ivv s TYR 87 Ca -0.05 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 3ivv s TYR 87 Cb -0.13 -0.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 3ivv s TYR 87 CO -0.02 -0.03 0.15 -1.17 -1.57 0.00 0.00 175.55 172.92 3ivv s LEU 88 N -1.35 4.13 -0.15 -1.29 2.96 -0.04 -1.08 118.68 121.85 3ivv s LEU 88 Ca -0.05 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3ivv s LEU 88 Cb -0.09 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3ivv s LEU 88 CO 0.01 0.09 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.83 3ivv s LEU 89 N 0.92 3.04 -0.49 -0.68 2.96 0.18 -1.46 118.68 123.14 3ivv s LEU 89 Ca 0.08 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.53 3ivv s LEU 89 Cb -0.13 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.88 3ivv s LEU 89 CO 0.03 0.16 0.88 -0.22 -1.32 0.00 0.00 176.35 175.88 3ivv s LEU 90 N 0.40 4.15 -0.01 -0.68 2.96 -0.72 -1.32 118.68 123.45 3ivv s LEU 90 Ca -0.06 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 3ivv s LEU 90 Cb -0.15 -2.96 -0.20 0.00 0.50 0.00 0.00 46.19 43.38 3ivv s LEU 90 CO 0.04 -1.07 1.16 0.58 -1.32 0.00 0.00 176.35 175.74 3ivv h VAL 91 N 6.02 1.45 -3.03 1.68 2.07 -0.75 0.26 116.25 123.96 3ivv h VAL 91 Ca -0.25 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 3ivv h VAL 91 Cb 1.08 2.40 -0.11 0.00 -1.52 0.00 0.00 31.29 33.13 3ivv h VAL 91 CO 1.03 0.47 0.19 -0.94 0.02 0.00 0.00 177.57 178.34 3ivv s SER 92 N -6.26 -0.51 0.08 0.57 1.04 -1.06 -3.89 113.70 103.67 3ivv s SER 92 Ca -0.15 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.01 3ivv s SER 92 Cb 0.03 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.79 3ivv s SER 92 CO 0.75 -1.00 0.44 0.00 0.98 0.00 0.00 173.24 174.41 3ivv h PRO 94 N 2.67 0.00 0.00 0.00 0.13 -1.93 -3.45 132.00 129.41 3ivv h PRO 94 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3ivv h PRO 94 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ivv h PRO 94 CO 0.44 0.44 0.00 1.63 -0.23 0.00 0.00 178.00 180.28 3ivv n LYS 95 N -3.75 3.58 0.10 0.86 4.76 -1.26 -5.04 118.16 117.42 3ivv n LYS 95 Ca -0.01 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3ivv n LYS 95 Cb 0.50 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.67 3ivv n LYS 95 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3ivv h SER 96 N 0.00 0.00 -4.76 4.39 4.64 -1.97 -3.46 113.55 112.39 3ivv h SER 96 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 3ivv h SER 96 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 3ivv h SER 96 CO 0.00 0.64 0.57 -1.83 -0.87 0.00 0.00 176.83 175.34 3ivv s GLU 97 N -2.89 0.76 0.06 4.77 -1.05 -1.26 -2.67 118.70 116.42 3ivv s GLU 97 Ca 0.02 -0.32 -0.01 0.00 -0.15 0.00 0.00 54.97 54.51 3ivv s GLU 97 Cb 0.08 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 3ivv s GLU 97 CO 0.77 -0.34 -0.02 0.14 0.95 0.00 0.00 175.26 176.76 3ivv s VAL 98 N -2.98 0.21 -0.13 1.83 -7.23 0.06 -4.96 120.40 107.21 3ivv s VAL 98 Ca 0.08 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 3ivv s VAL 98 Cb -0.01 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 3ivv s VAL 98 CO -0.06 -0.95 -0.05 -0.13 -0.31 0.00 0.00 175.10 173.59 3ivv s ARG 99 N -3.93 3.37 -0.05 4.82 0.52 -1.26 -0.02 118.95 122.39 3ivv s ARG 99 Ca 0.08 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 54.65 3ivv s ARG 99 Cb 0.08 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.78 3ivv s ARG 99 CO -0.09 0.38 0.25 0.00 0.02 0.00 0.00 175.30 175.85 3ivv s ALA 100 N -0.02 -0.62 0.20 2.13 0.00 -0.40 -0.49 121.76 122.57 3ivv s ALA 100 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 3ivv s ALA 100 Cb -0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3ivv s ALA 100 CO 0.03 -0.18 0.44 0.15 0.00 0.00 0.00 175.76 176.19 3ivv s LYS 101 N -0.61 3.61 0.07 0.00 1.02 -0.12 -0.63 119.74 123.08 3ivv s LYS 101 Ca -0.07 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 55.66 3ivv s LYS 101 Cb -0.04 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3ivv s LYS 101 CO 0.02 0.38 0.35 -0.59 -0.92 0.00 0.00 175.35 174.59 3ivv s PHE 102 N -1.83 -0.16 -0.02 3.18 -0.12 -1.26 -1.08 117.98 116.70 3ivv s PHE 102 Ca 0.41 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.26 3ivv s PHE 102 Cb -0.11 0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.46 3ivv s PHE 102 CO 0.27 -0.59 -0.00 0.21 -0.05 0.00 0.00 175.22 175.06 3ivv s LYS 103 N -3.04 0.17 -0.05 1.99 2.20 0.03 -0.68 119.74 120.36 3ivv s LYS 103 Ca -0.02 0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.66 3ivv s LYS 103 Cb 0.01 -0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 3ivv s LYS 103 CO -0.06 -0.06 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.66 3ivv s PHE 104 N 0.55 2.71 0.24 4.03 0.08 -0.10 -0.85 117.98 124.63 3ivv s PHE 104 Ca -0.05 -0.15 -0.11 0.00 0.12 0.00 0.00 56.93 56.74 3ivv s PHE 104 Cb -0.08 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 3ivv s PHE 104 CO -0.01 0.20 0.41 -1.54 -0.10 0.00 0.00 175.22 174.17 3ivv s SER 105 N -0.77 -0.05 -0.08 1.36 1.04 -0.33 -0.53 113.70 114.35 3ivv s SER 105 Ca 0.12 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.55 3ivv s SER 105 Cb -0.11 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 3ivv s SER 105 CO 0.01 -1.08 -0.09 -0.63 0.98 0.00 0.00 173.24 172.43 3ivv s ILE 106 N -4.04 3.48 -0.17 -1.02 1.01 -0.47 -0.81 121.20 119.17 3ivv s ILE 106 Ca 0.25 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3ivv s ILE 106 Cb 0.01 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3ivv s ILE 106 CO 0.09 0.58 0.34 -0.76 0.00 0.00 0.00 174.94 175.19 3ivv s LEU 107 N -0.57 4.22 0.00 2.97 1.43 -0.32 -0.49 118.68 125.92 3ivv s LEU 107 Ca 0.08 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 3ivv s LEU 107 Cb -0.12 -2.44 0.18 0.00 0.03 0.00 0.00 46.19 43.84 3ivv s LEU 107 CO 0.02 0.04 0.85 -0.46 0.23 0.00 0.00 176.35 177.03 3ivv n ASN 108 N 3.83 -0.70 0.31 2.29 0.23 -0.20 -4.54 115.26 116.48 3ivv n ASN 108 Ca -0.10 -1.18 0.18 0.00 -0.53 0.00 0.00 54.58 52.95 3ivv n ASN 108 Cb 0.52 -0.70 1.03 0.00 -2.08 0.00 0.00 39.78 38.55 3ivv n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ivv h ALA 109 N -2.13 1.34 -0.13 -2.53 0.00 -1.91 0.03 119.26 113.92 3ivv h ALA 109 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ivv h ALA 109 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ivv h ALA 109 CO 0.20 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 181.07 3ivv n LYS 110 N -3.56 1.91 -0.95 0.00 5.02 -1.26 -4.93 118.16 114.39 3ivv n LYS 110 Ca -0.03 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 3ivv n LYS 110 Cb 0.08 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3ivv n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ivv n GLY 111 N 1.23 0.45 3.85 0.72 0.00 -0.00 -5.04 105.19 106.40 3ivv n GLY 111 Ca 0.17 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3ivv n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ivv s GLU 112 N -1.26 3.91 0.22 1.61 2.02 -1.26 -4.77 118.70 119.17 3ivv s GLU 112 Ca 0.00 0.38 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 3ivv s GLU 112 Cb 0.00 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 3ivv s GLU 112 CO 0.00 0.58 1.19 -1.21 0.02 0.00 0.00 175.26 175.84 3ivv s GLU 113 N -1.61 4.51 0.10 1.61 2.02 -1.26 -1.03 118.70 123.04 3ivv s GLU 113 Ca 0.31 1.89 -0.09 0.00 0.02 0.00 0.00 54.97 57.10 3ivv s GLU 113 Cb -0.16 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.86 3ivv s GLU 113 CO 0.17 -0.03 0.22 -0.08 0.02 0.00 0.00 175.26 175.56 3ivv s THR 114 N -0.41 0.12 -1.47 3.63 -1.32 0.35 -4.93 115.64 111.62 3ivv s THR 114 Ca 0.51 -1.16 -0.10 0.00 -1.21 0.00 0.00 61.69 59.72 3ivv s THR 114 Cb -0.33 -1.41 0.06 0.00 -1.51 0.00 0.00 72.50 69.31 3ivv s THR 114 CO 0.39 -0.56 0.94 0.29 -2.21 0.00 0.00 174.62 173.47 3ivv n LYS 115 N -0.10 -5.60 -2.39 7.08 4.76 -1.26 -1.37 118.16 119.28 3ivv n LYS 115 Ca -0.14 0.62 -0.38 0.00 -2.87 0.00 0.00 58.31 55.54 3ivv n LYS 115 Cb 0.63 -5.45 -0.03 0.00 -1.84 0.00 0.00 35.03 28.34 3ivv n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ivv s ALA 116 N -3.39 3.20 -0.02 7.82 0.00 -1.26 -4.53 121.76 123.58 3ivv s ALA 116 Ca 0.50 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.39 3ivv s ALA 116 Cb -0.25 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3ivv s ALA 116 CO 0.82 -0.38 -0.09 -1.64 0.00 0.00 0.00 175.76 174.46 3ivv s MET 117 N -2.15 0.95 0.09 0.00 -1.94 0.31 -4.99 119.30 111.57 3ivv s MET 117 Ca 0.54 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 54.26 3ivv s MET 117 Cb -0.29 -0.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.63 3ivv s MET 117 CO 0.37 0.14 -0.16 -1.83 -0.01 0.00 0.00 175.02 173.53 3ivv s GLU 118 N 0.10 0.95 0.34 2.03 -1.05 -1.26 -0.92 118.70 118.90 3ivv s GLU 118 Ca -0.02 -1.08 -0.28 0.00 -0.15 0.00 0.00 54.97 53.44 3ivv s GLU 118 Cb -0.08 -1.00 -0.10 0.00 -0.44 0.00 0.00 34.13 32.52 3ivv s GLU 118 CO 0.00 0.22 1.25 -1.54 0.95 0.00 0.00 175.26 176.14 3ivv s SER 119 N -1.97 6.76 0.00 0.83 1.04 0.14 -4.91 113.70 115.59 3ivv s SER 119 Ca 0.03 2.55 0.32 0.00 0.48 0.00 0.00 55.95 59.33 3ivv s SER 119 Cb -0.09 -2.64 1.82 0.00 0.10 0.00 0.00 66.02 65.21 3ivv s SER 119 CO 0.03 -0.53 2.18 0.00 0.98 0.00 0.00 173.24 175.90 3ivv n GLN 120 N 0.67 1.01 -3.69 4.02 0.00 -1.26 -4.76 117.38 113.37 3ivv n GLN 120 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 57.00 56.94 3ivv n GLN 120 Cb 0.43 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.17 3ivv n GLN 120 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3ivv s ARG 121 N -2.04 0.60 0.37 2.61 1.70 -1.26 -5.16 118.95 115.78 3ivv s ARG 121 Ca 0.46 -0.34 -0.24 0.00 -0.47 0.00 0.00 55.73 55.13 3ivv s ARG 121 Cb 0.22 0.20 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 3ivv s ARG 121 CO 0.37 -0.28 0.99 0.00 -1.08 0.00 0.00 175.30 175.31 3ivv s ALA 122 N -2.56 3.13 0.12 7.88 0.00 -1.26 -4.50 121.76 124.56 3ivv s ALA 122 Ca 0.15 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.76 3ivv s ALA 122 Cb 0.03 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3ivv s ALA 122 CO -0.02 0.00 -0.10 0.71 0.00 0.00 0.00 175.76 176.36 3ivv s TYR 123 N -1.74 2.72 -0.52 0.00 2.02 0.20 -4.81 117.35 115.23 3ivv s TYR 123 Ca 0.55 -0.17 -0.27 0.00 -0.37 0.00 0.00 57.07 56.82 3ivv s TYR 123 Cb -0.18 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3ivv s TYR 123 CO 0.23 0.44 1.05 0.50 -1.57 0.00 0.00 175.55 176.20 3ivv s ARG 124 N -2.32 3.52 -0.50 -0.62 3.52 -1.26 -1.27 118.95 120.02 3ivv s ARG 124 Ca 0.22 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.83 3ivv s ARG 124 Cb -0.11 -3.97 0.08 0.00 -1.56 0.00 0.00 34.95 29.39 3ivv s ARG 124 CO 0.14 -1.44 0.48 -0.06 -0.81 0.00 0.00 175.30 173.61 3ivv s PHE 125 N 4.28 3.18 0.61 5.12 0.08 0.97 -4.99 117.98 127.22 3ivv s PHE 125 Ca 0.40 -0.87 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 3ivv s PHE 125 Cb -0.09 -3.38 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 3ivv s PHE 125 CO 0.26 -0.91 0.98 0.14 -0.10 0.00 0.00 175.22 175.59 3ivv s VAL 126 N 1.95 4.35 0.09 -0.44 -7.23 -1.26 -0.76 120.40 117.09 3ivv s VAL 126 Ca 0.07 0.56 -0.35 0.00 -1.81 0.00 0.00 61.98 60.45 3ivv s VAL 126 Cb -0.24 -3.73 -0.14 0.00 0.56 0.00 0.00 36.38 32.83 3ivv s VAL 126 CO 0.08 -0.89 1.56 1.67 -0.31 0.00 0.00 175.10 177.20 3ivv n GLN 127 N -2.69 1.85 -0.52 4.82 7.27 -1.09 -1.75 117.38 125.26 3ivv n GLN 127 Ca 0.05 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.79 3ivv n GLN 127 Cb 0.55 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.79 3ivv n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ivv n GLY 128 N 3.35 0.78 3.89 1.69 0.00 0.93 -5.02 105.19 110.80 3ivv n GLY 128 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3ivv n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ivv s LYS 129 N -0.47 3.37 0.32 1.61 2.20 -0.72 -4.88 119.74 121.18 3ivv s LYS 129 Ca 0.00 -0.36 0.08 0.00 -0.36 0.00 0.00 55.97 55.33 3ivv s LYS 129 Cb 0.00 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 3ivv s LYS 129 CO 0.00 0.66 0.13 0.16 -0.36 0.00 0.00 175.35 175.94 3ivv s ASP 130 N -1.96 4.71 -0.01 1.43 1.47 -1.26 -1.76 116.67 119.29 3ivv s ASP 130 Ca 0.27 -0.72 -0.09 0.00 1.18 0.00 0.00 52.55 53.19 3ivv s ASP 130 Cb -0.13 -0.78 0.01 0.00 -0.34 0.00 0.00 42.92 41.68 3ivv s ASP 130 CO 0.19 -0.24 0.19 0.26 0.68 0.00 0.00 175.17 176.24 3ivv s TRP 131 N -2.39 -0.05 -1.49 2.11 0.52 -0.54 -4.98 118.94 112.11 3ivv s TRP 131 Ca 0.37 0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.55 3ivv s TRP 131 Cb -0.03 0.00 0.00 0.00 -1.15 0.00 0.00 33.47 32.29 3ivv s TRP 131 CO 0.22 -0.28 0.00 0.41 0.02 0.00 0.00 176.95 177.32 3ivv n GLY 132 N 1.65 -0.62 3.00 0.98 0.00 -1.26 -0.86 105.19 108.08 3ivv n GLY 132 Ca -0.21 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3ivv n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ivv s PHE 133 N -3.42 2.96 0.34 1.61 0.08 0.06 -4.98 117.98 114.64 3ivv s PHE 133 Ca 0.00 -2.19 0.05 0.00 0.12 0.00 0.00 56.93 54.90 3ivv s PHE 133 Cb 0.00 -1.94 0.63 0.00 -0.57 0.00 0.00 43.02 41.14 3ivv s PHE 133 CO 0.00 -0.85 1.89 -0.22 -0.10 0.00 0.00 175.22 175.93 3ivv h LYS 134 N 7.83 0.50 -2.29 0.44 3.64 -1.89 -1.25 116.57 123.56 3ivv h LYS 134 Ca -0.16 -0.10 -0.63 0.00 -1.27 0.00 0.00 60.65 58.48 3ivv h LYS 134 Cb 1.05 -0.08 -0.39 0.00 -0.41 0.00 0.00 32.23 32.40 3ivv h LYS 134 CO 0.45 0.53 -0.32 1.63 -2.27 0.00 0.00 179.45 179.47 3ivv n LYS 135 N -4.29 3.57 -0.02 1.90 5.02 -1.26 -3.90 118.16 119.18 3ivv n LYS 135 Ca 0.01 -4.81 -0.12 0.00 -2.02 0.00 0.00 58.31 51.37 3ivv n LYS 135 Cb 0.24 -2.29 -0.08 0.00 -0.02 0.00 0.00 35.03 32.88 3ivv n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3ivv h PHE 136 N 3.37 0.12 -2.65 2.13 3.57 -1.31 -3.46 116.94 118.72 3ivv h PHE 136 Ca 0.21 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 3ivv h PHE 136 Cb 0.49 -0.03 -0.22 0.00 2.79 0.00 0.00 35.95 38.97 3ivv h PHE 136 CO 0.91 0.41 -0.16 -1.50 -2.23 0.00 0.00 178.31 175.74 3ivv s ILE 137 N -4.88 0.01 0.22 1.41 2.07 -1.21 -5.01 121.20 113.81 3ivv s ILE 137 Ca -0.15 -0.09 -0.30 0.00 -1.41 0.00 0.00 60.65 58.70 3ivv s ILE 137 Cb 0.04 -0.67 -0.10 0.00 0.13 0.00 0.00 42.46 41.86 3ivv s ILE 137 CO 0.69 -0.05 1.48 -0.13 -1.91 0.00 0.00 174.94 175.02 3ivv s ARG 138 N -0.19 4.25 0.17 3.50 0.52 -1.26 -0.94 118.95 125.00 3ivv s ARG 138 Ca -0.04 2.32 -0.12 0.00 -0.52 0.00 0.00 55.73 57.37 3ivv s ARG 138 Cb -0.03 -3.12 0.08 0.00 0.52 0.00 0.00 34.95 32.39 3ivv s ARG 138 CO 0.02 -0.48 1.75 -0.09 0.02 0.00 0.00 175.30 176.53 3ivv h ARG 139 N 5.57 0.87 -0.59 3.54 2.43 -1.36 -1.07 114.38 123.77 3ivv h ARG 139 Ca -0.45 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 58.55 3ivv h ARG 139 Cb 1.21 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3ivv h ARG 139 CO 0.82 0.71 0.24 0.38 -1.51 0.00 0.00 179.97 180.61 3ivv h ASP 140 N 0.82 0.81 -0.36 -3.80 3.04 -1.92 -0.24 116.42 114.77 3ivv h ASP 140 Ca 0.20 -0.17 -0.01 0.00 -3.24 0.00 0.00 57.03 53.81 3ivv h ASP 140 Cb 0.13 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.20 3ivv h ASP 140 CO -0.02 0.76 0.17 0.15 -2.04 0.00 0.00 179.24 178.25 3ivv h PHE 141 N 0.82 0.52 -0.74 4.15 3.57 -1.91 -2.63 116.94 120.72 3ivv h PHE 141 Ca 0.20 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3ivv h PHE 141 Cb 0.19 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3ivv h PHE 141 CO 0.01 0.44 0.36 1.25 -2.23 0.00 0.00 178.31 178.15 3ivv h LEU 142 N 0.44 0.96 -0.30 0.59 5.85 -0.80 -2.98 115.31 119.07 3ivv h LEU 142 Ca 0.12 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ivv h LEU 142 Cb 0.12 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3ivv h LEU 142 CO -0.02 0.82 0.00 -0.07 -0.34 0.00 0.00 178.44 178.84 3ivv h LEU 143 N 1.04 0.00 -8.99 2.25 3.38 -0.97 -3.41 115.31 108.60 3ivv h LEU 143 Ca 0.26 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.66 3ivv h LEU 143 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ivv h LEU 143 CO -0.03 0.00 1.09 -0.62 0.09 0.00 0.00 178.44 178.96 3ivv s ASP 144 N -5.45 6.44 0.55 -0.43 -1.08 -1.00 -4.88 116.67 110.81 3ivv s ASP 144 Ca 0.07 1.45 0.28 0.00 -0.52 0.00 0.00 52.55 53.83 3ivv s ASP 144 Cb 0.08 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.46 3ivv s ASP 144 CO 0.60 -1.24 1.94 1.05 0.52 0.00 0.00 175.17 178.04 3ivv h GLU 145 N 10.43 0.00 0.00 4.34 9.09 -1.88 -1.69 114.58 134.86 3ivv h GLU 145 Ca -0.31 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.09 3ivv h GLU 145 Cb 1.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.24 3ivv h GLU 145 CO 1.02 0.00 -0.03 0.00 0.05 0.00 0.00 179.01 180.05 3ivv h ALA 146 N 1.62 1.48 -0.00 1.06 0.00 -1.94 -2.75 119.26 118.73 3ivv h ALA 146 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ivv h ALA 146 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ivv h ALA 146 CO -0.00 0.04 -0.34 0.09 0.00 0.00 0.00 179.25 179.03 3ivv n ASN 147 N -3.82 0.40 -1.44 0.00 3.02 -0.64 -4.95 115.26 107.83 3ivv n ASN 147 Ca -0.03 -0.11 -0.15 0.00 -0.03 0.00 0.00 54.58 54.26 3ivv n ASN 147 Cb 0.12 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3ivv n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ivv n GLY 148 N 1.48 0.58 0.28 7.41 0.00 -1.04 -4.89 105.19 109.01 3ivv n GLY 148 Ca 0.07 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3ivv n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ivv n LEU 149 N -1.94 1.43 -3.15 0.99 4.77 -1.26 -4.28 117.00 113.56 3ivv n LEU 149 Ca -0.16 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.05 3ivv n LEU 149 Cb 0.57 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3ivv n LEU 149 CO 0.22 0.29 -0.02 0.18 -1.33 0.00 0.00 177.39 176.72 3ivv n LEU 150 N -0.66 2.82 -4.73 2.23 4.77 -1.26 -4.62 117.00 115.55 3ivv n LEU 150 Ca 0.08 -5.32 -0.42 0.00 -0.03 0.00 0.00 56.01 50.32 3ivv n LEU 150 Cb 0.40 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3ivv n LEU 150 CO 0.32 2.23 1.14 -2.16 -1.33 0.00 0.00 177.39 177.59 3ivv s PRO 151 N -2.66 4.26 -1.89 3.23 0.04 -1.23 -0.90 135.00 135.85 3ivv s PRO 151 Ca 0.43 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3ivv s PRO 151 Cb 0.25 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3ivv s PRO 151 CO -0.09 -0.48 0.00 -0.25 0.04 0.00 0.00 177.00 176.22 3ivv n ASP 152 N 3.04 -5.40 -2.99 6.66 8.00 -1.26 -1.31 116.55 123.28 3ivv n ASP 152 Ca 0.10 0.26 -0.22 0.00 0.71 0.00 0.00 54.79 55.63 3ivv n ASP 152 Cb 0.40 -4.65 0.02 0.00 -0.02 0.00 0.00 41.12 36.87 3ivv n ASP 152 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ivv n ASP 153 N -1.60 -5.52 -4.42 -2.24 2.03 -0.08 -4.65 116.55 100.07 3ivv n ASP 153 Ca -0.21 -0.25 -0.33 0.00 0.52 0.00 0.00 54.79 54.51 3ivv n ASP 153 Cb 0.66 -4.50 -0.13 0.00 -0.72 0.00 0.00 41.12 36.43 3ivv n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ivv s LYS 154 N -5.66 3.50 -0.31 -0.67 1.02 -0.43 -0.76 119.74 116.42 3ivv s LYS 154 Ca 0.28 -0.62 -0.14 0.00 0.02 0.00 0.00 55.97 55.51 3ivv s LYS 154 Cb -0.13 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3ivv s LYS 154 CO 0.34 0.22 0.30 -1.17 -0.92 0.00 0.00 175.35 174.12 3ivv s LEU 155 N 0.36 4.25 -0.31 3.17 2.96 -0.33 -3.55 118.68 125.23 3ivv s LEU 155 Ca -0.08 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 3ivv s LEU 155 Cb -0.15 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.29 3ivv s LEU 155 CO 0.05 -0.21 0.08 -0.89 -1.32 0.00 0.00 176.35 174.06 3ivv s THR 156 N 1.91 3.87 0.08 3.68 2.01 -1.26 -0.26 115.64 125.68 3ivv s THR 156 Ca 0.10 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 3ivv s THR 156 Cb -0.16 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 3ivv s THR 156 CO 0.11 -0.00 0.33 -0.76 -0.69 0.00 0.00 174.62 173.60 3ivv s LEU 157 N 1.46 4.32 -0.08 4.42 1.43 0.38 -1.18 118.68 129.44 3ivv s LEU 157 Ca 0.01 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3ivv s LEU 157 Cb -0.18 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 43.04 3ivv s LEU 157 CO 0.02 0.14 -0.01 0.12 0.23 0.00 0.00 176.35 176.85 3ivv s PHE 158 N -1.50 0.82 -0.19 0.29 5.36 0.01 -1.06 117.98 121.71 3ivv s PHE 158 Ca 0.35 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 56.06 3ivv s PHE 158 Cb -0.13 -0.87 0.03 0.00 -0.34 0.00 0.00 43.02 41.71 3ivv s PHE 158 CO 0.22 -0.36 -0.18 0.00 -1.46 0.00 0.00 175.22 173.44 3ivv s GLU 160 N 1.29 3.67 -0.00 0.00 2.02 -0.03 -0.47 118.70 125.17 3ivv s GLU 160 Ca 0.03 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 54.56 3ivv s GLU 160 Cb -0.14 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 3ivv s GLU 160 CO -0.12 0.20 -0.18 0.08 0.02 0.00 0.00 175.26 175.26 3ivv s VAL 161 N 0.49 1.45 -0.14 2.63 1.01 0.13 -0.79 120.40 125.19 3ivv s VAL 161 Ca -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3ivv s VAL 161 Cb -0.14 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.05 3ivv s VAL 161 CO 0.03 0.35 -0.05 -0.55 0.00 0.00 0.00 175.10 174.88 3ivv s SER 162 N -0.58 2.44 -0.12 3.32 0.15 -0.24 -1.56 113.70 117.10 3ivv s SER 162 Ca 0.07 -0.46 -0.18 0.00 0.70 0.00 0.00 55.95 56.08 3ivv s SER 162 Cb -0.07 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 3ivv s SER 162 CO -0.00 -0.16 0.46 -0.69 1.20 0.00 0.00 173.24 174.05 3ivv s VAL 163 N 1.71 5.19 0.21 4.45 1.01 -0.27 -0.95 120.40 131.76 3ivv s VAL 163 Ca 0.03 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 3ivv s VAL 163 Cb -0.14 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3ivv s VAL 163 CO -0.08 0.34 1.51 -0.69 0.00 0.00 0.00 175.10 176.18 3ivv s VAL 164 N 0.58 2.59 -2.75 2.92 1.01 0.35 -4.93 120.40 120.18 3ivv s VAL 164 Ca 0.25 0.46 0.22 0.00 0.00 0.00 0.00 61.98 62.91 3ivv s VAL 164 Cb -0.15 -3.30 0.17 0.00 0.00 0.00 0.00 36.38 33.11 3ivv s VAL 164 CO 0.10 0.06 1.20 0.00 0.00 0.00 0.00 175.10 176.45