#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w9t s LEU 8 N 0.00 4.24 0.06 -2.12 1.43 -1.26 -4.79 118.68 116.23 1w9t s LEU 8 Ca 0.00 1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1w9t s LEU 8 Cb 0.00 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1w9t s LEU 8 CO 0.00 -0.01 0.27 -0.54 0.23 0.00 0.00 176.35 176.30 1w9t s LYS 9 N -2.42 3.53 -0.45 1.70 1.02 0.22 -4.96 119.74 118.38 1w9t s LYS 9 Ca 0.44 -0.23 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 1w9t s LYS 9 Cb -0.13 -3.01 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 1w9t s LYS 9 CO 0.20 0.59 0.38 1.21 -0.92 0.00 0.00 175.35 176.81 1w9t s ASN 10 N -2.18 6.15 0.13 2.83 3.84 -1.26 -1.37 114.94 123.07 1w9t s ASN 10 Ca 0.33 -1.05 0.20 0.00 0.21 0.00 0.00 52.86 52.55 1w9t s ASN 10 Cb -0.13 -2.19 0.83 0.00 -0.55 0.00 0.00 41.25 39.21 1w9t s ASN 10 CO 0.22 -0.59 1.62 -0.81 -2.79 0.00 0.00 177.10 174.76 1w9t n PRO 11 N 5.32 0.10 -0.21 0.43 -0.04 -1.26 -2.88 135.00 136.46 1w9t n PRO 11 Ca -0.11 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1w9t n PRO 11 Cb 0.45 -1.69 0.26 0.00 -0.04 0.00 0.00 33.50 32.49 1w9t n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w9t n TYR 12 N -1.88 0.55 -4.41 0.54 4.01 -1.26 -0.50 117.16 114.21 1w9t n TYR 12 Ca 0.03 -0.27 -0.21 0.00 -0.16 0.00 0.00 57.90 57.29 1w9t n TYR 12 Cb 0.22 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.15 1w9t n TYR 12 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1w9t s GLU 13 N -1.45 1.51 0.36 -0.72 0.41 -1.14 -4.86 118.70 112.81 1w9t s GLU 13 Ca 0.39 -1.71 -0.28 0.00 -0.41 0.00 0.00 54.97 52.95 1w9t s GLU 13 Cb 0.22 -1.35 -0.11 0.00 -1.78 0.00 0.00 34.13 31.11 1w9t s GLU 13 CO 0.30 0.18 1.51 0.54 -0.49 0.00 0.00 175.26 177.30 1w9t n ARG 14 N -0.53 2.66 -4.04 1.61 1.74 -1.26 -4.71 116.66 112.14 1w9t n ARG 14 Ca -0.06 0.94 -0.35 0.00 -0.77 0.00 0.00 57.85 57.61 1w9t n ARG 14 Cb 0.61 -2.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.24 1w9t n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1w9t s ILE 15 N -0.85 3.42 0.08 0.55 1.01 0.68 -4.96 121.20 121.12 1w9t s ILE 15 Ca 0.56 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1w9t s ILE 15 Cb -0.48 -2.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1w9t s ILE 15 CO 0.60 0.44 1.16 -1.10 0.00 0.00 0.00 174.94 176.04 1w9t s GLN 16 N 1.26 4.48 0.41 2.79 -1.52 -1.26 -1.41 119.66 124.41 1w9t s GLN 16 Ca 0.03 1.73 0.10 0.00 -1.95 0.00 0.00 55.36 55.28 1w9t s GLN 16 Cb -0.14 -3.34 0.87 0.00 -0.22 0.00 0.00 33.01 30.18 1w9t s GLN 16 CO -0.02 -0.17 1.97 0.00 -0.25 0.00 0.00 175.29 176.83 1w9t h ALA 17 N 6.42 1.61 0.00 6.09 0.00 -1.37 -1.54 119.26 130.47 1w9t h ALA 17 Ca -0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1w9t h ALA 17 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1w9t h ALA 17 CO 0.79 0.29 0.00 -0.85 0.00 0.00 0.00 179.25 179.47 1w9t n GLU 18 N -4.34 0.19 -1.15 0.00 0.00 -1.26 -3.67 120.64 110.41 1w9t n GLU 18 Ca -0.01 0.35 -0.20 0.00 0.00 0.00 0.00 57.16 57.31 1w9t n GLU 18 Cb 0.21 -1.82 -0.03 0.00 0.00 0.00 0.00 31.44 29.80 1w9t n GLU 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1w9t n ALA 19 N -1.75 5.79 -2.09 -1.84 0.00 -0.58 -4.94 120.51 115.09 1w9t n ALA 19 Ca 0.03 -2.20 -0.28 0.00 0.00 0.00 0.00 53.44 50.99 1w9t n ALA 19 Cb 0.27 -1.80 0.01 0.00 0.00 0.00 0.00 19.45 17.94 1w9t n ALA 19 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1w9t s TYR 20 N -1.35 3.48 -0.06 0.00 1.13 -1.24 -4.93 117.35 114.37 1w9t s TYR 20 Ca 0.46 0.91 0.22 0.00 -1.41 0.00 0.00 57.07 57.24 1w9t s TYR 20 Cb 0.30 -2.58 -0.31 0.00 -1.10 0.00 0.00 41.96 38.28 1w9t s TYR 20 CO -0.10 -0.59 0.48 -0.25 -2.51 0.00 0.00 175.55 172.57 1w9t n ASP 21 N -2.53 0.07 -3.58 -0.18 8.00 0.80 -4.99 116.55 114.14 1w9t n ASP 21 Ca 0.03 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 1w9t n ASP 21 Cb 0.56 1.76 -0.03 0.00 -0.02 0.00 0.00 41.12 43.39 1w9t n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w9t s ALA 22 N -3.39 -1.28 0.24 2.24 0.00 -1.17 -5.01 121.76 113.38 1w9t s ALA 22 Ca -0.08 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 1w9t s ALA 22 Cb 0.13 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.10 1w9t s ALA 22 CO 0.89 -0.79 0.52 0.00 0.00 0.00 0.00 175.76 176.38 1w9t s MET 23 N -3.81 1.53 -0.05 0.00 0.23 -1.26 -1.01 119.30 114.94 1w9t s MET 23 Ca 0.04 -1.12 -0.02 0.00 -1.03 0.00 0.00 55.69 53.57 1w9t s MET 23 Cb -0.01 0.50 0.03 0.00 -1.53 0.00 0.00 34.83 33.82 1w9t s MET 23 CO -0.08 -0.65 0.04 0.45 -2.03 0.00 0.00 175.02 172.75 1w9t s SER 24 N -2.97 1.15 0.00 -1.18 0.15 0.10 -4.95 113.70 106.01 1w9t s SER 24 Ca 0.17 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1w9t s SER 24 Cb -0.01 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1w9t s SER 24 CO 0.06 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1w9t n GLY 25 N 5.10 0.74 3.74 9.45 0.00 -1.26 -1.89 105.19 121.08 1w9t n GLY 25 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1w9t n GLY 25 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1w9t s ILE 26 N -2.35 1.75 0.06 -0.61 -5.25 -1.26 -4.71 121.20 108.83 1w9t s ILE 26 Ca 0.00 -1.84 -0.05 0.00 -0.99 0.00 0.00 60.65 57.77 1w9t s ILE 26 Cb 0.00 -2.60 -0.02 0.00 2.95 0.00 0.00 42.46 42.80 1w9t s ILE 26 CO 0.00 0.00 0.08 -1.58 -1.79 0.00 0.00 174.94 171.65 1w9t s GLN 27 N -3.90 0.69 0.22 0.37 0.74 -0.94 -4.99 119.66 111.85 1w9t s GLN 27 Ca 0.27 -1.01 0.08 0.00 0.05 0.00 0.00 55.36 54.75 1w9t s GLN 27 Cb 0.04 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.37 1w9t s GLN 27 CO 0.15 -0.18 0.02 0.95 -0.55 0.00 0.00 175.29 175.68 1w9t s THR 28 N -3.59 3.71 0.16 -0.34 -4.23 -1.26 -0.41 115.64 109.68 1w9t s THR 28 Ca 0.03 -1.61 -0.17 0.00 -1.18 0.00 0.00 61.69 58.76 1w9t s THR 28 Cb 0.05 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.99 1w9t s THR 28 CO -0.09 -0.25 0.46 -1.83 -0.54 0.00 0.00 174.62 172.37 1w9t s GLU 29 N -3.35 1.21 0.26 3.99 -1.05 -0.55 -4.94 118.70 114.28 1w9t s GLU 29 Ca 0.30 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 54.05 1w9t s GLU 29 Cb -0.08 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 34.01 1w9t s GLU 29 CO 0.20 -0.50 1.24 0.20 0.95 0.00 0.00 175.26 177.35 1w9t s GLY 30 N -2.83 2.84 0.08 -3.83 0.00 -1.26 -0.55 107.32 101.76 1w9t s GLY 30 Ca 0.06 1.08 -0.06 0.00 0.00 0.00 0.00 44.72 45.80 1w9t s GLY 30 CO -0.08 1.83 0.32 -1.08 0.00 0.00 0.00 173.10 174.10 1w9t s THR 31 N -0.68 5.23 -2.14 0.90 -1.32 -0.06 -4.74 115.64 112.82 1w9t s THR 31 Ca 0.50 0.09 0.19 0.00 -1.21 0.00 0.00 61.69 61.26 1w9t s THR 31 Cb -0.36 -3.61 0.47 0.00 -1.51 0.00 0.00 72.50 67.49 1w9t s THR 31 CO 0.44 0.20 1.43 0.47 -2.21 0.00 0.00 174.62 174.94 1w9t n ASP 32 N 0.58 2.81 -4.74 8.08 8.00 -1.26 -4.46 116.55 125.56 1w9t n ASP 32 Ca -0.06 -1.95 -0.34 0.00 0.71 0.00 0.00 54.79 53.15 1w9t n ASP 32 Cb 0.52 -0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.39 1w9t n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1w9t s ASP 33 N -1.20 4.67 0.34 -2.24 2.15 -1.26 -4.89 116.67 114.24 1w9t s ASP 33 Ca 0.36 2.21 -0.29 0.00 0.43 0.00 0.00 52.55 55.26 1w9t s ASP 33 Cb 0.19 -2.57 -0.11 0.00 -0.30 0.00 0.00 42.92 40.13 1w9t s ASP 33 CO 0.26 -1.94 1.46 1.51 -0.17 0.00 0.00 175.17 176.30 1w9t s ASP 34 N -2.22 6.48 0.00 -0.34 -4.77 -1.26 -1.15 116.67 113.41 1w9t s ASP 34 Ca 0.71 2.91 0.00 0.00 -3.30 0.00 0.00 52.55 52.88 1w9t s ASP 34 Cb -0.25 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 38.92 1w9t s ASP 34 CO 0.42 -0.79 0.00 0.61 0.70 0.00 0.00 175.17 176.12 1w9t n GLY 35 N 1.01 0.97 7.00 2.12 0.00 -1.26 -4.98 105.19 110.05 1w9t n GLY 35 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1w9t n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9t n GLY 36 N -2.00 1.11 4.58 -0.02 0.00 -0.30 -5.00 105.19 103.56 1w9t n GLY 36 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1w9t n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9t n GLY 37 N 0.00 -0.12 3.27 -0.02 0.00 -1.26 -4.79 105.19 102.26 1w9t n GLY 37 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 1w9t n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w9t s ASP 38 N -4.00 1.62 0.13 1.61 1.01 -1.26 -0.88 116.67 114.89 1w9t s ASP 38 Ca 0.00 -1.11 0.04 0.00 0.71 0.00 0.00 52.55 52.19 1w9t s ASP 38 Cb 0.00 0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.92 1w9t s ASP 38 CO 0.00 -0.45 -0.10 0.54 0.21 0.00 0.00 175.17 175.37 1w9t s ASN 39 N -3.20 1.66 0.35 0.27 4.22 0.29 -4.69 114.94 113.84 1w9t s ASN 39 Ca 0.22 -0.98 -0.10 0.00 -2.14 0.00 0.00 52.86 49.86 1w9t s ASN 39 Cb 0.05 0.00 -0.07 0.00 1.28 0.00 0.00 41.25 42.51 1w9t s ASN 39 CO 0.03 -0.33 0.70 0.27 -2.04 0.00 0.00 177.10 175.73 1w9t s ILE 40 N -3.21 4.82 0.00 0.54 -4.36 -0.47 -1.48 121.20 117.05 1w9t s ILE 40 Ca 0.14 0.57 0.00 0.00 -0.26 0.00 0.00 60.65 61.10 1w9t s ILE 40 Cb 0.02 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 40.04 1w9t s ILE 40 CO -0.00 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.42 1w9t n GLY 41 N -0.91 2.52 3.86 6.27 0.00 0.45 -2.00 105.19 115.37 1w9t n GLY 41 Ca 0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 1w9t n GLY 41 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1w9t n TRP 42 N 0.00 -1.80 -3.38 1.61 8.01 -1.26 -2.22 117.44 118.40 1w9t n TRP 42 Ca 0.00 0.80 -0.38 0.00 -1.31 0.00 0.00 57.50 56.61 1w9t n TRP 42 Cb 0.00 -4.00 -0.07 0.00 -2.01 0.00 0.00 31.31 25.23 1w9t n TRP 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1w9t s ILE 43 N -3.77 5.20 0.26 -0.99 1.01 -1.26 -4.38 121.20 117.26 1w9t s ILE 43 Ca 0.07 0.75 0.07 0.00 0.00 0.00 0.00 60.65 61.55 1w9t s ILE 43 Cb -0.04 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1w9t s ILE 43 CO 0.85 0.27 -0.09 0.20 0.00 0.00 0.00 174.94 176.17 1w9t s ASN 44 N 0.95 2.77 -0.15 3.58 -0.87 -1.26 -0.17 114.94 119.78 1w9t s ASN 44 Ca 0.20 -1.13 -0.36 0.00 -1.57 0.00 0.00 52.86 50.00 1w9t s ASN 44 Cb -0.15 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.25 40.78 1w9t s ASN 44 CO 0.08 -0.26 1.82 -0.67 -2.57 0.00 0.00 177.10 175.50 1w9t n ASP 45 N -0.53 3.04 0.00 -1.22 2.03 -1.26 -1.38 116.55 117.23 1w9t n ASP 45 Ca -0.06 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1w9t n ASP 45 Cb 0.62 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1w9t n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1w9t n GLY 46 N 4.30 0.07 3.78 0.27 0.00 0.13 -4.96 105.19 108.77 1w9t n GLY 46 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1w9t n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w9t s ASP 47 N -2.10 4.42 0.22 1.61 1.01 -0.48 -4.82 116.67 116.54 1w9t s ASP 47 Ca 0.00 1.54 -0.20 0.00 0.71 0.00 0.00 52.55 54.60 1w9t s ASP 47 Cb 0.00 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.68 1w9t s ASP 47 CO 0.00 -2.05 0.62 -1.66 0.21 0.00 0.00 175.17 172.30 1w9t s TRP 48 N -3.01 -0.27 0.02 4.23 1.48 -0.79 -0.81 118.94 119.78 1w9t s TRP 48 Ca 0.61 -0.07 0.02 0.00 -1.06 0.00 0.00 56.10 55.60 1w9t s TRP 48 Cb -0.16 0.56 -0.01 0.00 -1.16 0.00 0.00 33.47 32.70 1w9t s TRP 48 CO 0.56 -1.02 -0.08 0.14 -4.06 0.00 0.00 176.95 172.49 1w9t s VAL 49 N -3.85 0.59 -0.08 -0.66 -7.23 -0.63 -0.72 120.40 107.82 1w9t s VAL 49 Ca 0.08 -0.68 0.04 0.00 -1.81 0.00 0.00 61.98 59.61 1w9t s VAL 49 Cb -0.03 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.33 1w9t s VAL 49 CO -0.02 -0.08 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.71 1w9t s LYS 50 N -0.83 2.79 -0.26 4.82 2.20 -0.18 -1.30 119.74 126.97 1w9t s LYS 50 Ca -0.02 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1w9t s LYS 50 Cb -0.06 -2.28 0.07 0.00 -1.51 0.00 0.00 37.83 34.05 1w9t s LYS 50 CO 0.00 0.33 -0.06 0.71 -0.36 0.00 0.00 175.35 175.97 1w9t s TYR 51 N -0.01 2.91 0.46 4.03 1.51 0.48 -0.14 117.35 126.59 1w9t s TYR 51 Ca -0.07 -2.16 -0.20 0.00 -1.01 0.00 0.00 57.07 53.63 1w9t s TYR 51 Cb -0.15 -1.91 -0.10 0.00 -0.11 0.00 0.00 41.96 39.70 1w9t s TYR 51 CO 0.05 -0.85 0.98 -1.21 -1.11 0.00 0.00 175.55 173.42 1w9t s GLU 52 N 1.22 4.03 -1.28 -0.62 2.02 -1.26 -0.72 118.70 122.09 1w9t s GLU 52 Ca -0.04 1.16 -0.04 0.00 0.02 0.00 0.00 54.97 56.07 1w9t s GLU 52 Cb -0.19 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1w9t s GLU 52 CO -0.07 -0.21 1.07 0.54 0.02 0.00 0.00 175.26 176.62 1w9t n ARG 53 N -0.92 -7.13 -2.81 1.61 1.74 -1.09 -4.47 116.66 103.58 1w9t n ARG 53 Ca 0.08 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 1w9t n ARG 53 Cb 0.54 -5.84 -0.04 0.00 -1.02 0.00 0.00 32.46 26.09 1w9t n ARG 53 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1w9t s VAL 54 N -3.35 4.57 -0.28 1.55 1.01 0.23 -0.61 120.40 123.50 1w9t s VAL 54 Ca 0.27 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 1w9t s VAL 54 Cb -0.12 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1w9t s VAL 54 CO 0.74 -0.58 0.16 -2.28 0.00 0.00 0.00 175.10 173.14 1w9t s HIS 55 N 3.52 3.19 -0.38 5.22 2.46 -0.47 -1.16 115.29 127.67 1w9t s HIS 55 Ca 0.38 -0.12 -0.15 0.00 0.47 0.00 0.00 55.06 55.64 1w9t s HIS 55 Cb -0.12 -2.36 0.01 0.00 -0.13 0.00 0.00 32.58 29.98 1w9t s HIS 55 CO 0.20 -0.26 0.30 -0.06 -2.47 0.00 0.00 174.74 172.45 1w9t s PHE 56 N 1.71 3.22 -0.04 3.88 0.40 0.43 -4.26 117.98 123.32 1w9t s PHE 56 Ca 0.06 -0.39 0.18 0.00 -0.60 0.00 0.00 56.93 56.19 1w9t s PHE 56 Cb -0.16 -2.60 0.40 0.00 0.51 0.00 0.00 43.02 41.17 1w9t s PHE 56 CO 0.09 -0.52 1.60 1.05 0.70 0.00 0.00 175.22 178.14 1w9t h GLU 57 N 8.58 0.00 -4.30 0.44 4.11 -1.94 -1.44 114.58 120.03 1w9t h GLU 57 Ca -0.29 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.96 1w9t h GLU 57 Cb 1.13 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 1w9t h GLU 57 CO 0.70 0.39 -0.46 -0.98 0.07 0.00 0.00 179.01 178.73 1w9t s ARG 58 N -3.26 1.31 0.30 1.06 1.70 -1.26 -4.86 118.95 113.95 1w9t s ARG 58 Ca 0.03 -1.52 -0.29 0.00 -0.47 0.00 0.00 55.73 53.48 1w9t s ARG 58 Cb 0.09 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 1w9t s ARG 58 CO 0.70 -0.47 1.30 -0.51 -1.08 0.00 0.00 175.30 175.25 1w9t s ASP 59 N -3.12 6.82 -0.05 -2.89 1.01 -1.26 -4.42 116.67 112.76 1w9t s ASP 59 Ca 0.34 2.61 -0.10 0.00 0.71 0.00 0.00 52.55 56.11 1w9t s ASP 59 Cb 0.05 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1w9t s ASP 59 CO 0.11 -0.52 0.26 0.00 0.21 0.00 0.00 175.17 175.24 1w9t s ALA 60 N -0.82 3.81 -0.08 5.23 0.00 -0.14 -4.49 121.76 125.26 1w9t s ALA 60 Ca 0.51 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1w9t s ALA 60 Cb -0.39 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1w9t s ALA 60 CO 0.48 0.57 0.08 -1.13 0.00 0.00 0.00 175.76 175.77 1w9t n SER 61 N 1.77 1.22 -3.74 0.00 3.41 -0.07 -2.21 113.62 113.99 1w9t n SER 61 Ca -0.16 -0.41 -0.09 0.00 -0.26 0.00 0.00 58.87 57.95 1w9t n SER 61 Cb 0.54 1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 65.49 1w9t n SER 61 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1w9t s SER 62 N -1.48 -0.33 0.03 4.04 1.04 -1.14 -1.45 113.70 114.41 1w9t s SER 62 Ca 0.00 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1w9t s SER 62 Cb 0.02 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1w9t s SER 62 CO 0.09 -1.20 -0.15 -0.51 0.98 0.00 0.00 173.24 172.45 1w9t s ILE 63 N -3.88 1.16 -0.07 -1.02 2.07 -0.24 -1.23 121.20 117.99 1w9t s ILE 63 Ca 0.09 -0.96 0.04 0.00 -1.41 0.00 0.00 60.65 58.41 1w9t s ILE 63 Cb -0.04 -1.04 -0.00 0.00 0.13 0.00 0.00 42.46 41.52 1w9t s ILE 63 CO 0.01 0.06 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.28 1w9t s GLU 64 N -1.03 2.50 -0.03 3.50 2.02 0.96 -1.63 118.70 124.99 1w9t s GLU 64 Ca 0.03 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.28 1w9t s GLU 64 Cb -0.08 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1w9t s GLU 64 CO 0.01 0.22 -0.10 0.08 0.02 0.00 0.00 175.26 175.48 1w9t s VAL 65 N 0.21 0.90 -0.35 2.63 1.01 0.39 -1.06 120.40 124.13 1w9t s VAL 65 Ca -0.12 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1w9t s VAL 65 Cb -0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1w9t s VAL 65 CO 0.06 0.28 0.46 -0.60 0.00 0.00 0.00 175.10 175.29 1w9t s ARG 66 N 0.22 3.60 0.09 2.72 6.06 -0.34 -0.76 118.95 130.54 1w9t s ARG 66 Ca -0.04 -0.25 0.03 0.00 -2.50 0.00 0.00 55.73 52.97 1w9t s ARG 66 Cb -0.10 -3.81 -0.04 0.00 0.06 0.00 0.00 34.95 31.07 1w9t s ARG 66 CO 0.01 -0.60 -0.09 0.14 -2.50 0.00 0.00 175.30 172.26 1w9t s VAL 67 N 2.26 0.83 0.02 7.11 -7.23 0.39 -1.09 120.40 122.68 1w9t s VAL 67 Ca 0.16 -1.65 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1w9t s VAL 67 Cb -0.16 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 1w9t s VAL 67 CO 0.13 -0.62 0.08 0.00 -0.31 0.00 0.00 175.10 174.38 1w9t s ALA 68 N -2.61 -0.13 -0.24 1.32 0.00 -0.68 -1.07 121.76 118.36 1w9t s ALA 68 Ca 0.05 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 1w9t s ALA 68 Cb -0.02 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1w9t s ALA 68 CO -0.01 -0.22 0.63 0.45 0.00 0.00 0.00 175.76 176.61 1w9t s SER 69 N -1.60 -0.66 0.00 0.00 0.15 -1.14 0.07 113.70 110.52 1w9t s SER 69 Ca -0.13 1.27 0.23 0.00 0.70 0.00 0.00 55.95 58.03 1w9t s SER 69 Cb -0.07 1.28 0.41 0.00 -1.71 0.00 0.00 66.02 65.94 1w9t s SER 69 CO -0.01 -0.22 1.39 -0.67 1.20 0.00 0.00 173.24 174.94 1w9t n ASP 70 N 2.79 3.14 -3.15 5.45 2.03 -1.25 -1.14 116.55 124.43 1w9t n ASP 70 Ca -0.14 -1.96 -0.14 0.00 0.52 0.00 0.00 54.79 53.07 1w9t n ASP 70 Cb 0.56 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 1w9t n ASP 70 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1w9t n THR 71 N 1.33 0.00 0.11 5.18 -2.24 -1.26 -4.84 114.28 112.55 1w9t n THR 71 Ca 0.18 -1.02 0.06 0.00 -2.27 0.00 0.00 64.05 60.99 1w9t n THR 71 Cb 0.58 0.18 0.29 0.00 -2.10 0.00 0.00 70.33 69.28 1w9t n THR 71 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1w9t n PRO 72 N -0.57 0.07 0.00 -0.78 -0.02 -1.26 -3.55 135.00 128.89 1w9t n PRO 72 Ca -0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1w9t n PRO 72 Cb 0.27 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1w9t n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w9t n GLY 73 N -1.28 -0.27 0.00 -1.23 0.00 -1.25 -3.61 105.19 97.56 1w9t n GLY 73 Ca -0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1w9t n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9t n GLY 74 N 0.00 -0.85 3.14 -0.02 0.00 0.35 -4.67 105.19 103.14 1w9t n GLY 74 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1w9t n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1w9t s ARG 75 N -0.60 0.69 -0.19 1.61 1.70 0.21 -0.46 118.95 121.91 1w9t s ARG 75 Ca 0.00 -1.00 -0.01 0.00 -0.47 0.00 0.00 55.73 54.25 1w9t s ARG 75 Cb 0.00 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1w9t s ARG 75 CO 0.00 -0.18 -0.13 0.42 -1.08 0.00 0.00 175.30 174.33 1w9t s ILE 76 N -3.53 2.66 -0.05 4.99 1.01 0.13 -1.35 121.20 125.05 1w9t s ILE 76 Ca 0.03 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1w9t s ILE 76 Cb 0.04 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1w9t s ILE 76 CO -0.09 0.49 0.34 -1.61 0.00 0.00 0.00 174.94 174.08 1w9t s GLU 77 N 1.27 3.89 -0.25 2.79 2.02 0.74 -0.69 118.70 128.46 1w9t s GLU 77 Ca 0.03 0.26 -0.08 0.00 0.02 0.00 0.00 54.97 55.21 1w9t s GLU 77 Cb -0.14 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1w9t s GLU 77 CO -0.07 0.62 0.09 0.42 0.02 0.00 0.00 175.26 176.34 1w9t s ILE 78 N -0.78 4.46 0.10 -1.63 -1.09 -0.19 -1.00 121.20 121.07 1w9t s ILE 78 Ca 0.21 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 1w9t s ILE 78 Cb -0.15 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1w9t s ILE 78 CO 0.10 0.33 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.96 1w9t s ARG 79 N 1.64 0.82 0.18 2.79 0.52 -0.72 -0.11 118.95 124.08 1w9t s ARG 79 Ca 0.06 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 53.98 1w9t s ARG 79 Cb -0.15 -0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.18 1w9t s ARG 79 CO 0.05 -0.07 -0.08 0.95 0.02 0.00 0.00 175.30 176.17 1w9t s THR 80 N -3.72 1.25 0.00 0.02 -4.23 -1.26 -0.43 115.64 107.27 1w9t s THR 80 Ca 0.13 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1w9t s THR 80 Cb 0.06 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1w9t s THR 80 CO -0.04 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1w9t n GLY 81 N -0.30 1.91 3.85 3.99 0.00 -0.21 -4.02 105.19 110.41 1w9t n GLY 81 Ca -0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1w9t n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w9t s SER 82 N 0.00 -0.23 0.54 1.61 1.04 -1.26 -4.95 113.70 110.44 1w9t s SER 82 Ca 0.00 -0.65 0.36 0.00 0.48 0.00 0.00 55.95 56.14 1w9t s SER 82 Cb 0.00 0.73 1.83 0.00 0.10 0.00 0.00 66.02 68.68 1w9t s SER 82 CO 0.00 -1.36 2.09 -0.65 0.98 0.00 0.00 173.24 174.30 1w9t h PRO 83 N 2.00 0.00 -0.28 4.02 0.11 -1.95 -1.48 132.00 134.42 1w9t h PRO 83 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1w9t h PRO 83 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1w9t h PRO 83 CO 0.25 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.29 1w9t n THR 84 N -2.83 0.36 -0.91 -1.15 -2.24 -1.26 -4.99 114.28 101.25 1w9t n THR 84 Ca -0.01 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.78 1w9t n THR 84 Cb 0.12 1.13 0.14 0.00 -2.10 0.00 0.00 70.33 69.63 1w9t n THR 84 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1w9t s GLY 85 N -1.59 1.67 0.12 3.38 0.00 -0.56 -4.83 107.32 105.52 1w9t s GLY 85 Ca 0.34 0.39 -0.35 0.00 0.00 0.00 0.00 44.72 45.10 1w9t s GLY 85 CO 0.30 0.81 1.28 2.41 0.00 0.00 0.00 173.10 177.90 1w9t n THR 86 N -4.01 0.31 -1.95 0.90 -1.04 -1.26 -4.52 114.28 102.71 1w9t n THR 86 Ca 0.10 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1w9t n THR 86 Cb 0.53 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 68.17 1w9t n THR 86 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1w9t s LEU 87 N 0.55 4.35 0.01 -4.42 2.96 -1.26 -4.01 118.68 116.86 1w9t s LEU 87 Ca 0.80 2.34 0.22 0.00 -0.22 0.00 0.00 54.13 57.28 1w9t s LEU 87 Cb -0.91 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.13 1w9t s LEU 87 CO 0.49 -0.93 0.89 0.18 -1.32 0.00 0.00 176.35 175.65 1w9t n LEU 88 N 6.86 0.62 0.00 -0.68 4.77 0.84 -5.01 117.00 124.41 1w9t n LEU 88 Ca 0.17 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1w9t n LEU 88 Cb 0.42 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1w9t n LEU 88 CO 0.63 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1w9t n GLY 89 N 1.40 1.46 3.24 -0.72 0.00 -1.23 -1.00 105.19 108.34 1w9t n GLY 89 Ca 0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1w9t n GLY 89 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1w9t s ASP 90 N 0.00 0.18 -0.03 1.61 3.84 -1.24 -1.02 116.67 120.01 1w9t s ASP 90 Ca 0.00 -1.18 0.01 0.00 -0.00 0.00 0.00 52.55 51.38 1w9t s ASP 90 Cb 0.00 0.37 0.02 0.00 -1.38 0.00 0.00 42.92 41.93 1w9t s ASP 90 CO 0.00 -0.83 -0.03 -0.69 -0.00 0.00 0.00 175.17 173.62 1w9t s VAL 91 N -4.07 0.37 -0.07 2.11 1.01 0.13 -4.13 120.40 115.76 1w9t s VAL 91 Ca 0.27 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1w9t s VAL 91 Cb 0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1w9t s VAL 91 CO 0.05 0.16 0.53 -1.10 0.00 0.00 0.00 175.10 174.75 1w9t s GLN 92 N 0.66 4.31 -0.22 2.72 -1.52 -1.26 -0.69 119.66 123.65 1w9t s GLN 92 Ca -0.08 0.59 -0.01 0.00 -1.95 0.00 0.00 55.36 53.91 1w9t s GLN 92 Cb -0.11 -3.39 0.02 0.00 -0.22 0.00 0.00 33.01 29.32 1w9t s GLN 92 CO -0.01 0.26 -0.11 0.08 -0.25 0.00 0.00 175.29 175.27 1w9t s VAL 93 N 0.23 2.61 0.71 1.09 1.01 0.39 -4.84 120.40 121.60 1w9t s VAL 93 Ca 0.29 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1w9t s VAL 93 Cb -0.17 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.07 1w9t s VAL 93 CO 0.14 0.33 0.98 -2.16 0.00 0.00 0.00 175.10 174.39 1w9t s PRO 94 N 1.32 1.85 0.27 2.72 0.04 -1.26 -0.49 135.00 139.44 1w9t s PRO 94 Ca 0.02 -0.81 -0.30 0.00 0.04 0.00 0.00 61.00 59.94 1w9t s PRO 94 Cb -0.15 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 1w9t s PRO 94 CO -0.07 -1.35 1.57 1.21 0.04 0.00 0.00 177.00 178.39 1w9t s ASN 95 N -4.65 6.45 0.00 6.66 2.47 -1.23 -4.47 114.94 120.17 1w9t s ASN 95 Ca 0.64 2.87 0.07 0.00 0.42 0.00 0.00 52.86 56.86 1w9t s ASN 95 Cb -0.07 -2.63 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 1w9t s ASN 95 CO 0.44 -0.87 0.62 0.35 -3.72 0.00 0.00 177.10 173.92 1w9t n THR 96 N 2.43 0.00 0.00 -5.21 -2.24 -0.29 -4.94 114.28 104.03 1w9t n THR 96 Ca 0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1w9t n THR 96 Cb 0.38 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1w9t n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w9t n GLY 97 N 0.64 0.53 0.00 3.38 0.00 -1.09 -4.79 105.19 103.85 1w9t n GLY 97 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1w9t n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9t n GLY 98 N -1.57 2.05 0.21 -0.02 0.00 -1.07 -4.89 105.19 99.90 1w9t n GLY 98 Ca 0.00 -0.97 0.15 0.00 0.00 0.00 0.00 46.02 45.20 1w9t n GLY 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1w9t h TRP 99 N 0.00 0.00 0.00 1.61 4.06 -1.91 -2.74 115.95 116.97 1w9t h TRP 99 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1w9t h TRP 99 Cb 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.04 1w9t h TRP 99 CO 0.00 0.00 -0.62 1.04 -3.56 0.00 0.00 178.44 175.30 1w9t n GLN 100 N -2.65 1.03 -3.33 0.49 1.13 -1.26 -4.69 117.38 108.10 1w9t n GLN 100 Ca 0.01 -2.76 -0.46 0.00 -1.94 0.00 0.00 57.00 51.84 1w9t n GLN 100 Cb 0.23 -1.08 -0.04 0.00 0.11 0.00 0.00 30.24 29.46 1w9t n GLN 100 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1w9t s GLN 101 N -2.12 3.23 0.11 -1.09 -1.52 -1.05 -4.71 119.66 112.51 1w9t s GLN 101 Ca 0.35 -2.05 -0.15 0.00 -1.95 0.00 0.00 55.36 51.56 1w9t s GLN 101 Cb 0.35 -4.33 -0.07 0.00 -0.22 0.00 0.00 33.01 28.74 1w9t s GLN 101 CO -0.09 -1.31 0.52 -1.58 -0.25 0.00 0.00 175.29 172.58 1w9t s TRP 102 N 0.94 3.65 0.07 0.91 0.52 -1.26 -4.40 118.94 119.37 1w9t s TRP 102 Ca 0.10 1.05 -0.08 0.00 0.02 0.00 0.00 56.10 57.19 1w9t s TRP 102 Cb -0.21 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.75 1w9t s TRP 102 CO -0.02 0.49 0.16 1.14 0.02 0.00 0.00 176.95 178.74 1w9t s GLN 103 N -1.72 0.77 -0.19 4.98 -2.07 -0.23 -4.98 119.66 116.22 1w9t s GLN 103 Ca 0.34 -0.90 -0.07 0.00 -1.82 0.00 0.00 55.36 52.91 1w9t s GLN 103 Cb -0.16 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 1w9t s GLN 103 CO 0.18 -0.23 0.06 0.99 -1.32 0.00 0.00 175.29 174.98 1w9t s THR 104 N -3.51 4.73 0.29 3.63 2.01 -1.26 -0.46 115.64 121.06 1w9t s THR 104 Ca 0.02 -0.05 0.12 0.00 0.31 0.00 0.00 61.69 62.09 1w9t s THR 104 Cb 0.04 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1w9t s THR 104 CO -0.09 0.45 -0.18 0.68 -0.69 0.00 0.00 174.62 174.78 1w9t s VAL 105 N 0.51 2.50 0.06 3.82 -7.23 0.06 -4.93 120.40 115.18 1w9t s VAL 105 Ca 0.03 -2.37 0.01 0.00 -1.81 0.00 0.00 61.98 57.84 1w9t s VAL 105 Cb -0.13 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1w9t s VAL 105 CO 0.01 -0.38 -0.06 0.42 -0.31 0.00 0.00 175.10 174.78 1w9t s THR 106 N -2.51 0.49 0.01 5.32 -4.23 -1.26 -0.46 115.64 113.00 1w9t s THR 106 Ca 0.30 -1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1w9t s THR 106 Cb -0.04 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.78 1w9t s THR 106 CO 0.15 -0.64 0.27 -0.83 -0.54 0.00 0.00 174.62 173.04 1w9t s GLY 107 N -2.21 -0.10 0.42 3.99 0.00 -0.64 -4.65 107.32 104.12 1w9t s GLY 107 Ca -0.01 0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.57 1w9t s GLY 107 CO -0.03 -0.09 1.16 -1.31 0.00 0.00 0.00 173.10 172.83 1w9t s ASN 108 N -1.62 6.44 0.19 1.64 0.01 -1.26 -1.08 114.94 119.26 1w9t s ASN 108 Ca -0.10 2.31 0.01 0.00 -0.71 0.00 0.00 52.86 54.37 1w9t s ASN 108 Cb -0.04 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1w9t s ASN 108 CO 0.01 -0.73 0.04 0.68 -1.51 0.00 0.00 177.10 175.59 1w9t s VAL 109 N -1.47 0.57 -0.21 1.60 -7.23 -0.53 -3.60 120.40 109.53 1w9t s VAL 109 Ca 0.59 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1w9t s VAL 109 Cb -0.29 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.44 1w9t s VAL 109 CO 0.37 -0.33 0.00 -1.10 -0.31 0.00 0.00 175.10 173.73 1w9t s GLN 110 N -3.97 1.03 -0.08 4.82 -0.21 -0.17 -4.07 119.66 117.01 1w9t s GLN 110 Ca 0.28 -0.65 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 1w9t s GLN 110 Cb 0.07 -2.30 0.03 0.00 1.00 0.00 0.00 33.01 31.80 1w9t s GLN 110 CO 0.07 -0.63 -0.02 0.42 -2.12 0.00 0.00 175.29 173.01 1w9t s ILE 111 N 1.68 0.53 0.60 1.08 1.01 -0.94 -4.84 121.20 120.32 1w9t s ILE 111 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1w9t s ILE 111 Cb -0.18 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1w9t s ILE 111 CO -0.07 0.29 0.98 -1.10 0.00 0.00 0.00 174.94 175.04 1w9t s GLN 112 N 1.89 3.46 0.51 2.79 -0.21 -1.26 -0.97 119.66 125.88 1w9t s GLN 112 Ca 0.05 0.57 -0.22 0.00 0.02 0.00 0.00 55.36 55.77 1w9t s GLN 112 Cb -0.12 -2.14 -0.07 0.00 1.00 0.00 0.00 33.01 31.68 1w9t s GLN 112 CO -0.06 -0.56 1.24 -2.30 -2.12 0.00 0.00 175.29 171.49 1w9t n PRO 113 N -2.68 1.59 0.00 2.91 -0.02 -1.26 -4.86 135.00 130.68 1w9t n PRO 113 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1w9t n PRO 113 Cb 0.55 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1w9t n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w9t n GLY 114 N 0.89 1.42 3.55 -1.23 0.00 -0.54 -4.98 105.19 104.31 1w9t n GLY 114 Ca 0.10 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 1w9t n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w9t s THR 115 N -1.89 4.17 0.06 2.61 2.01 -1.26 -0.43 115.64 120.90 1w9t s THR 115 Ca 0.00 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1w9t s THR 115 Cb 0.00 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1w9t s THR 115 CO 0.00 0.50 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.04 1w9t s TYR 116 N 0.25 0.77 -0.37 4.92 1.51 -0.30 -4.91 117.35 119.22 1w9t s TYR 116 Ca -0.01 -0.62 -0.25 0.00 -1.01 0.00 0.00 57.07 55.18 1w9t s TYR 116 Cb -0.13 -0.45 0.01 0.00 -0.11 0.00 0.00 41.96 41.27 1w9t s TYR 116 CO 0.02 -0.09 0.89 -0.51 -1.11 0.00 0.00 175.55 174.75 1w9t s ASP 117 N -2.03 6.65 -0.16 2.29 1.01 -1.26 -0.60 116.67 122.55 1w9t s ASP 117 Ca -0.03 0.52 -0.15 0.00 0.71 0.00 0.00 52.55 53.60 1w9t s ASP 117 Cb -0.05 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1w9t s ASP 117 CO -0.01 -0.83 0.33 -0.69 0.21 0.00 0.00 175.17 174.18 1w9t s VAL 118 N 3.38 5.28 -0.11 -1.27 1.01 0.10 -1.04 120.40 127.74 1w9t s VAL 118 Ca 0.36 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1w9t s VAL 118 Cb -0.12 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1w9t s VAL 118 CO 0.18 0.36 -0.14 -0.31 0.00 0.00 0.00 175.10 175.19 1w9t s TYR 119 N 0.65 2.77 -0.27 5.22 2.02 0.43 -0.39 117.35 127.77 1w9t s TYR 119 Ca 0.18 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.19 1w9t s TYR 119 Cb -0.14 -1.79 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1w9t s TYR 119 CO 0.05 -0.15 0.18 -0.51 -1.57 0.00 0.00 175.55 173.55 1w9t s LEU 120 N 0.15 4.00 -0.16 -1.29 1.43 -0.42 -1.75 118.68 120.63 1w9t s LEU 120 Ca -0.07 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1w9t s LEU 120 Cb -0.15 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 1w9t s LEU 120 CO 0.05 -0.03 -0.14 -0.69 0.23 0.00 0.00 176.35 175.78 1w9t s VAL 121 N 1.61 2.80 -0.10 -1.59 1.01 -0.17 -1.61 120.40 122.35 1w9t s VAL 121 Ca 0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1w9t s VAL 121 Cb -0.15 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1w9t s VAL 121 CO 0.09 0.51 0.27 -0.36 0.00 0.00 0.00 175.10 175.61 1w9t s PHE 122 N 0.83 3.58 -0.01 5.22 0.08 0.01 -0.19 117.98 127.51 1w9t s PHE 122 Ca -0.04 0.68 -0.01 0.00 0.12 0.00 0.00 56.93 57.68 1w9t s PHE 122 Cb -0.15 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1w9t s PHE 122 CO -0.00 0.52 0.03 0.15 -0.10 0.00 0.00 175.22 175.82 1w9t s LYS 123 N -0.47 0.06 0.00 0.44 -0.14 -0.46 0.18 119.74 119.35 1w9t s LYS 123 Ca 0.18 0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.80 1w9t s LYS 123 Cb -0.14 0.03 0.00 0.00 -1.68 0.00 0.00 37.83 36.04 1w9t s LYS 123 CO 0.07 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.06 1w9t n GLY 124 N 2.97 -0.56 3.77 -3.33 0.00 -1.26 -0.62 105.19 106.16 1w9t n GLY 124 Ca -0.13 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1w9t n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1w9t s SER 125 N -4.00 6.17 0.00 1.61 0.15 -1.26 -4.69 113.70 111.67 1w9t s SER 125 Ca 0.00 2.72 0.21 0.00 0.70 0.00 0.00 55.95 59.58 1w9t s SER 125 Cb 0.00 -2.64 0.92 0.00 -1.71 0.00 0.00 66.02 62.59 1w9t s SER 125 CO 0.00 -0.96 1.66 -0.81 1.20 0.00 0.00 173.24 174.33 1w9t n PRO 126 N 0.00 0.07 0.00 5.44 -0.04 -1.26 -4.08 135.00 135.13 1w9t n PRO 126 Ca 0.04 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1w9t n PRO 126 Cb 0.43 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 1w9t n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1w9t n GLU 127 N -1.45 0.05 -3.75 0.54 -0.58 -1.26 -4.86 120.64 109.34 1w9t n GLU 127 Ca 0.06 -0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1w9t n GLU 127 Cb 0.22 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1w9t n GLU 127 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1w9t s TYR 128 N -2.97 -0.12 0.48 -0.32 -0.85 -1.26 -5.14 117.35 107.17 1w9t s TYR 128 Ca 0.12 0.02 -0.22 0.00 -0.52 0.00 0.00 57.07 56.47 1w9t s TYR 128 Cb 0.18 0.10 -0.07 0.00 0.38 0.00 0.00 41.96 42.55 1w9t s TYR 128 CO 0.66 -0.49 1.19 -0.51 -1.52 0.00 0.00 175.55 174.89 1w9t s ASP 129 N -1.96 5.98 -0.25 -0.18 1.11 -1.26 -4.74 116.67 115.37 1w9t s ASP 129 Ca -0.06 2.37 -0.02 0.00 0.18 0.00 0.00 52.55 55.02 1w9t s ASP 129 Cb -0.01 -2.61 -0.17 0.00 1.07 0.00 0.00 42.92 41.20 1w9t s ASP 129 CO -0.02 -1.05 -0.18 0.18 1.18 0.00 0.00 175.17 175.28 1w9t n LEU 130 N -0.64 2.76 -3.62 1.23 4.77 0.76 -4.69 117.00 117.56 1w9t n LEU 130 Ca 0.08 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1w9t n LEU 130 Cb 0.48 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1w9t n LEU 130 CO 0.48 0.86 1.02 0.00 -1.33 0.00 0.00 177.39 178.42 1w9t s MET 131 N -2.52 0.45 0.16 3.23 0.23 -1.26 -3.86 119.30 115.73 1w9t s MET 131 Ca -0.34 -0.24 0.11 0.00 -1.03 0.00 0.00 55.69 54.19 1w9t s MET 131 Cb 0.10 0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 1w9t s MET 131 CO 0.60 -0.20 -0.23 -0.80 -2.03 0.00 0.00 175.02 172.36 1w9t s ASN 132 N -2.84 3.54 -0.03 -1.18 0.01 0.11 -4.07 114.94 110.47 1w9t s ASN 132 Ca 0.13 -0.76 0.01 0.00 -0.71 0.00 0.00 52.86 51.52 1w9t s ASN 132 Cb 0.03 -0.33 0.02 0.00 0.41 0.00 0.00 41.25 41.39 1w9t s ASN 132 CO -0.04 0.14 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.99 1w9t s VAL 133 N -1.42 0.31 -0.23 1.60 1.01 -0.85 -1.68 120.40 119.14 1w9t s VAL 133 Ca 0.19 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 1w9t s VAL 133 Cb -0.09 -0.37 -0.13 0.00 0.00 0.00 0.00 36.38 35.79 1w9t s VAL 133 CO 0.09 0.17 -0.14 -3.20 0.00 0.00 0.00 175.10 172.02 1w9t n ASN 134 N 3.99 1.91 -3.85 3.32 2.85 -0.25 -1.37 115.26 121.86 1w9t n ASN 134 Ca -0.25 0.40 -0.07 0.00 -0.11 0.00 0.00 54.58 54.54 1w9t n ASN 134 Cb 0.51 -0.87 -0.02 0.00 1.24 0.00 0.00 39.78 40.64 1w9t n ASN 134 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1w9t s TRP 135 N -2.48 -0.18 0.07 1.20 1.48 -1.25 -1.06 118.94 116.73 1w9t s TRP 135 Ca -0.32 -0.29 -0.07 0.00 -1.06 0.00 0.00 56.10 54.36 1w9t s TRP 135 Cb 0.09 0.70 -0.01 0.00 -1.16 0.00 0.00 33.47 33.10 1w9t s TRP 135 CO 0.49 -1.24 0.15 -0.59 -4.06 0.00 0.00 176.95 171.71 1w9t s PHE 136 N -3.90 0.19 -0.12 1.66 -0.71 -0.50 -1.20 117.98 113.40 1w9t s PHE 136 Ca 0.11 -0.61 -0.18 0.00 -1.04 0.00 0.00 56.93 55.21 1w9t s PHE 136 Cb -0.06 -0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1w9t s PHE 136 CO 0.07 -0.50 0.46 0.54 -1.34 0.00 0.00 175.22 174.46 1w9t s VAL 137 N -3.63 0.01 0.34 -2.49 0.11 -0.23 -0.23 120.40 114.28 1w9t s VAL 137 Ca 0.03 -0.12 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1w9t s VAL 137 Cb 0.04 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1w9t s VAL 137 CO -0.10 -0.07 0.55 -0.36 -3.33 0.00 0.00 175.10 171.80 1w9t s PHE 138 N -0.35 3.50 0.02 1.54 0.40 0.35 -0.03 117.98 123.41 1w9t s PHE 138 Ca -0.05 0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.72 1w9t s PHE 138 Cb -0.03 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 1w9t s PHE 138 CO 0.03 0.12 -0.14 1.03 0.70 0.00 0.00 175.22 176.96 1w9t s ARG 139 N -4.21 1.02 0.00 0.44 1.81 -0.36 -4.51 118.95 113.14 1w9t s ARG 139 Ca 0.41 -0.64 0.25 0.00 -1.72 0.00 0.00 55.73 54.02 1w9t s ARG 139 Cb -0.10 -1.02 0.32 0.00 -0.45 0.00 0.00 34.95 33.71 1w9t s ARG 139 CO 0.35 0.26 1.33 0.00 -0.68 0.00 0.00 175.30 176.57