#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 4.22 0.03 -2.12 1.43 -1.26 -4.80 118.68 116.18 1w9t s LEU 8 Ca 0.00 1.45 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1w9t s LEU 8 Cb 0.00 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1w9t s LEU 8 CO 0.00 -0.09 0.20 -0.54 0.23 0.00 0.00 176.35 176.15 1w9t s LYS 9 N -2.41 3.45 -0.42 1.70 1.02 0.23 -4.97 119.74 118.33 1w9t s LYS 9 Ca 0.49 -0.36 -0.14 0.00 0.02 0.00 0.00 55.97 55.98 1w9t s LYS 9 Cb -0.14 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1w9t s LYS 9 CO 0.19 0.64 0.31 1.21 -0.92 0.00 0.00 175.35 176.79 1w9t s ASN 10 N -2.20 6.06 0.13 2.83 3.84 -1.26 -1.64 114.94 122.70 1w9t s ASN 10 Ca 0.31 -1.06 0.20 0.00 0.21 0.00 0.00 52.86 52.53 1w9t s ASN 10 Cb -0.13 -2.14 0.84 0.00 -0.55 0.00 0.00 41.25 39.27 1w9t s ASN 10 CO 0.23 -0.50 1.63 -0.81 -2.79 0.00 0.00 177.10 174.86 1w9t n PRO 11 N 5.14 0.11 -0.15 0.43 -0.04 -1.26 -2.91 135.00 136.32 1w9t n PRO 11 Ca -0.11 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1w9t n PRO 11 Cb 0.46 -1.69 0.28 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.89 0.39 -4.42 0.54 4.01 -1.26 -0.39 117.16 114.14 1w9t n TYR 12 Ca 0.03 -0.19 -0.21 0.00 -0.16 0.00 0.00 57.90 57.37 1w9t n TYR 12 Cb 0.23 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.61 1.52 0.32 -0.72 0.41 -1.14 -4.84 118.70 112.63 1w9t s GLU 13 Ca 0.35 -1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 52.89 1w9t s GLU 13 Cb 0.20 -1.27 -0.12 0.00 -1.78 0.00 0.00 34.13 31.16 1w9t s GLU 13 CO 0.28 0.14 1.46 0.54 -0.49 0.00 0.00 175.26 177.19 1w9t n ARG 14 N -0.54 2.45 -4.00 1.61 1.74 -1.26 -4.71 116.66 111.96 1w9t n ARG 14 Ca -0.06 0.86 -0.35 0.00 -0.77 0.00 0.00 57.85 57.54 1w9t n ARG 14 Cb 0.62 -2.56 -0.14 0.00 -1.02 0.00 0.00 32.46 29.35 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 -0.61 3.29 0.07 0.55 1.01 0.32 -4.97 121.20 120.86 1w9t s ILE 15 Ca 0.59 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1w9t s ILE 15 Cb -0.53 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1w9t s ILE 15 CO 0.57 0.44 1.15 -1.10 0.00 0.00 0.00 174.94 176.00 1w9t s GLN 16 N 1.35 4.47 0.44 2.79 -1.52 -1.26 -1.50 119.66 124.43 1w9t s GLN 16 Ca 0.04 1.71 0.19 0.00 -1.95 0.00 0.00 55.36 55.35 1w9t s GLN 16 Cb -0.14 -3.36 1.01 0.00 -0.22 0.00 0.00 33.01 30.30 1w9t s GLN 16 CO -0.03 -0.18 1.93 0.00 -0.25 0.00 0.00 175.29 176.76 1w9t h ALA 17 N 6.58 1.37 0.00 6.09 0.00 -1.40 -0.86 119.26 131.04 1w9t h ALA 17 Ca -0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1w9t h ALA 17 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1w9t h ALA 17 CO 0.79 0.31 0.00 -0.85 0.00 0.00 0.00 179.25 179.50 1w9t n GLU 18 N -3.93 0.21 -1.01 0.00 0.00 -1.26 -3.71 120.64 110.94 1w9t n GLU 18 Ca -0.02 0.37 -0.17 0.00 0.00 0.00 0.00 57.16 57.34 1w9t n GLU 18 Cb 0.33 -1.85 -0.01 0.00 0.00 0.00 0.00 31.44 29.91 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 -1.77 5.44 -2.13 -1.84 0.00 -0.33 -4.94 120.51 114.93 1w9t n ALA 19 Ca 0.03 -1.82 -0.29 0.00 0.00 0.00 0.00 53.44 51.37 1w9t n ALA 19 Cb 0.28 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.30 3.58 -0.03 0.00 1.13 -1.24 -4.94 117.35 114.55 1w9t s TYR 20 Ca 0.38 0.99 0.20 0.00 -1.41 0.00 0.00 57.07 57.23 1w9t s TYR 20 Cb 0.26 -2.45 -0.32 0.00 -1.10 0.00 0.00 41.96 38.35 1w9t s TYR 20 CO -0.06 -0.40 0.44 -0.25 -2.51 0.00 0.00 175.55 172.77 1w9t n ASP 21 N -2.34 0.32 -3.53 -0.18 8.00 0.73 -4.98 116.55 114.56 1w9t n ASP 21 Ca 0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 1w9t n ASP 21 Cb 0.55 1.91 -0.03 0.00 -0.02 0.00 0.00 41.12 43.52 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 -1.25 0.28 2.24 0.00 -1.18 -5.01 121.76 113.44 1w9t s ALA 22 Ca -0.08 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 1w9t s ALA 22 Cb 0.13 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1w9t s ALA 22 CO 0.85 -0.69 0.47 0.00 0.00 0.00 0.00 175.76 176.39 1w9t s MET 23 N -3.70 1.67 -0.08 0.00 0.23 -1.26 -0.98 119.30 115.17 1w9t s MET 23 Ca 0.02 -1.44 -0.03 0.00 -1.03 0.00 0.00 55.69 53.21 1w9t s MET 23 Cb 0.00 0.46 0.04 0.00 -1.53 0.00 0.00 34.83 33.80 1w9t s MET 23 CO -0.12 -0.69 0.10 0.45 -2.03 0.00 0.00 175.02 172.73 1w9t s SER 24 N -3.09 1.24 0.00 -1.18 0.15 0.11 -4.95 113.70 105.98 1w9t s SER 24 Ca 0.26 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1w9t s SER 24 Cb -0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1w9t s SER 24 CO 0.13 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1w9t n GLY 25 N 5.30 0.58 3.79 9.45 0.00 -1.26 -2.07 105.19 120.98 1w9t n GLY 25 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 1.88 0.09 -0.61 -5.25 -1.26 -4.68 121.20 109.13 1w9t s ILE 26 Ca 0.00 -1.70 -0.05 0.00 -0.99 0.00 0.00 60.65 57.92 1w9t s ILE 26 Cb 0.00 -2.58 -0.02 0.00 2.95 0.00 0.00 42.46 42.81 1w9t s ILE 26 CO 0.00 0.00 0.10 -1.10 -1.79 0.00 0.00 174.94 172.15 1w9t s GLN 27 N -4.01 0.81 0.23 0.37 -0.21 -0.90 -5.00 119.66 110.95 1w9t s GLN 27 Ca 0.32 -1.15 0.08 0.00 0.02 0.00 0.00 55.36 54.62 1w9t s GLN 27 Cb 0.02 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 1w9t s GLN 27 CO 0.18 -0.23 0.06 0.95 -2.12 0.00 0.00 175.29 174.14 1w9t s THR 28 N -3.92 3.86 0.15 -0.19 -4.23 -1.26 -0.54 115.64 109.51 1w9t s THR 28 Ca 0.10 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1w9t s THR 28 Cb 0.06 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.90 1w9t s THR 28 CO -0.07 -0.28 0.46 -1.83 -0.54 0.00 0.00 174.62 172.36 1w9t s GLU 29 N -3.48 1.20 0.33 3.99 -1.05 -0.50 -4.95 118.70 114.24 1w9t s GLU 29 Ca 0.31 -0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 54.10 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 0.21 -0.49 1.19 0.20 0.95 0.00 0.00 175.26 177.32 1w9t s GLY 30 N -2.83 2.98 0.04 -3.83 0.00 -1.26 -0.68 107.32 101.74 1w9t s GLY 30 Ca 0.05 1.04 -0.02 0.00 0.00 0.00 0.00 44.72 45.79 1w9t s GLY 30 CO -0.09 1.64 0.23 -1.08 0.00 0.00 0.00 173.10 173.80 1w9t s THR 31 N -1.23 5.37 -1.73 0.90 -1.32 0.02 -4.71 115.64 112.94 1w9t s THR 31 Ca 0.50 -0.18 0.16 0.00 -1.21 0.00 0.00 61.69 60.95 1w9t s THR 31 Cb -0.34 -3.59 0.51 0.00 -1.51 0.00 0.00 72.50 67.57 1w9t s THR 31 CO 0.44 0.23 1.41 0.47 -2.21 0.00 0.00 174.62 174.96 1w9t n ASP 32 N 0.62 3.22 -4.76 8.08 8.00 -1.26 -4.50 116.55 125.96 1w9t n ASP 32 Ca -0.08 -2.12 -0.31 0.00 0.71 0.00 0.00 54.79 52.99 1w9t n ASP 32 Cb 0.52 -0.42 0.09 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.93 4.45 0.37 -2.24 2.15 -1.26 -4.89 116.67 114.32 1w9t s ASP 33 Ca 0.37 1.91 -0.28 0.00 0.43 0.00 0.00 52.55 54.99 1w9t s ASP 33 Cb 0.21 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 40.19 1w9t s ASP 33 CO 0.23 -2.07 1.45 -0.90 -0.17 0.00 0.00 175.17 173.71 1w9t n ASP 34 N -3.35 3.62 0.00 -0.34 3.85 -1.26 -1.47 116.55 117.59 1w9t n ASP 34 Ca 0.10 1.22 0.00 0.00 -0.71 0.00 0.00 54.79 55.40 1w9t n ASP 34 Cb 0.53 -1.60 0.00 0.00 -1.35 0.00 0.00 41.12 38.70 1w9t n ASP 34 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w9t n GLY 35 N 0.50 0.96 7.00 6.12 0.00 -1.26 -4.96 105.19 113.56 1w9t n GLY 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.57 5.79 -0.02 0.00 -0.54 -4.99 105.19 105.00 1w9t n GLY 36 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.32 3.29 -0.02 0.00 -1.26 -4.80 105.19 102.08 1w9t n GLY 37 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 2.03 0.12 1.61 1.01 -1.26 -0.80 116.67 115.37 1w9t s ASP 38 Ca 0.00 -1.06 0.04 0.00 0.71 0.00 0.00 52.55 52.25 1w9t s ASP 38 Cb 0.00 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.85 1w9t s ASP 38 CO 0.00 -0.32 -0.11 0.54 0.21 0.00 0.00 175.17 175.49 1w9t s ASN 39 N -3.24 1.68 0.37 0.27 4.22 0.14 -4.71 114.94 113.67 1w9t s ASN 39 Ca 0.20 -0.88 -0.16 0.00 -2.14 0.00 0.00 52.86 49.89 1w9t s ASN 39 Cb 0.02 -0.01 -0.09 0.00 1.28 0.00 0.00 41.25 42.45 1w9t s ASN 39 CO 0.04 -0.26 0.80 0.27 -2.04 0.00 0.00 177.10 175.90 1w9t s ILE 40 N -2.70 4.63 0.00 0.54 -4.36 -0.27 -1.41 121.20 117.62 1w9t s ILE 40 Ca 0.10 1.02 0.00 0.00 -0.26 0.00 0.00 60.65 61.51 1w9t s ILE 40 Cb -0.01 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 40.06 1w9t s ILE 40 CO 0.01 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.50 1w9t n GLY 41 N -0.66 2.30 3.67 6.27 0.00 0.30 -1.55 105.19 115.52 1w9t n GLY 41 Ca 0.04 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.17 -3.35 1.61 8.01 -1.26 -2.12 117.44 118.17 1w9t n TRP 42 Ca 0.00 0.90 -0.38 0.00 -1.31 0.00 0.00 57.50 56.71 1w9t n TRP 42 Cb 0.00 -4.55 -0.07 0.00 -2.01 0.00 0.00 31.31 24.69 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 -3.49 5.19 0.21 -0.99 1.01 -1.26 -4.34 121.20 117.54 1w9t s ILE 43 Ca 0.20 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.74 1w9t s ILE 43 Cb -0.10 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1w9t s ILE 43 CO 0.79 0.30 -0.03 0.20 0.00 0.00 0.00 174.94 176.19 1w9t s ASN 44 N 0.77 1.86 -0.05 3.58 -0.87 -1.26 -0.69 114.94 118.27 1w9t s ASN 44 Ca 0.23 -1.17 -0.33 0.00 -1.57 0.00 0.00 52.86 50.02 1w9t s ASN 44 Cb -0.15 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.25 40.97 1w9t s ASN 44 CO 0.09 -0.46 1.90 -0.67 -2.57 0.00 0.00 177.10 175.39 1w9t n ASP 45 N -0.37 3.62 0.00 -1.22 2.03 -1.26 -1.25 116.55 118.10 1w9t n ASP 45 Ca -0.06 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.21 1w9t n ASP 45 Cb 0.63 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 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 4.43 0.23 3.78 0.27 0.00 0.11 -4.98 105.19 109.03 1w9t n GLY 46 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.35 4.49 0.20 1.61 1.01 -0.38 -4.80 116.67 116.44 1w9t s ASP 47 Ca 0.00 1.56 -0.20 0.00 0.71 0.00 0.00 52.55 54.62 1w9t s ASP 47 Cb 0.00 -2.31 0.04 0.00 1.01 0.00 0.00 42.92 41.66 1w9t s ASP 47 CO 0.00 -2.00 0.59 -1.66 0.21 0.00 0.00 175.17 172.30 1w9t s TRP 48 N -3.01 -0.25 0.03 4.23 1.48 -0.88 -0.79 118.94 119.75 1w9t s TRP 48 Ca 0.61 -0.08 0.04 0.00 -1.06 0.00 0.00 56.10 55.60 1w9t s TRP 48 Cb -0.16 0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 32.64 1w9t s TRP 48 CO 0.55 -0.97 -0.11 0.14 -4.06 0.00 0.00 176.95 172.50 1w9t s VAL 49 N -3.85 0.88 -0.04 -0.66 -7.23 -0.51 -0.71 120.40 108.28 1w9t s VAL 49 Ca 0.07 -0.89 0.06 0.00 -1.81 0.00 0.00 61.98 59.41 1w9t s VAL 49 Cb -0.02 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 1w9t s VAL 49 CO -0.03 -0.06 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.74 1w9t s LYS 50 N -1.06 2.42 -0.26 4.82 2.20 -0.16 -1.14 119.74 126.55 1w9t s LYS 50 Ca -0.01 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1w9t s LYS 50 Cb -0.07 -2.22 0.07 0.00 -1.51 0.00 0.00 37.83 34.10 1w9t s LYS 50 CO 0.01 0.53 0.01 0.71 -0.36 0.00 0.00 175.35 176.24 1w9t s TYR 51 N -0.51 2.25 0.49 4.03 1.51 0.26 -0.20 117.35 125.18 1w9t s TYR 51 Ca 0.07 -1.81 -0.20 0.00 -1.01 0.00 0.00 57.07 54.11 1w9t s TYR 51 Cb -0.11 -1.72 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1w9t s TYR 51 CO 0.01 -0.80 1.05 -1.21 -1.11 0.00 0.00 175.55 173.49 1w9t s GLU 52 N 1.44 3.77 -1.25 -0.62 2.02 -1.26 -0.59 118.70 122.20 1w9t s GLU 52 Ca 0.01 1.42 -0.04 0.00 0.02 0.00 0.00 54.97 56.37 1w9t s GLU 52 Cb -0.18 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1w9t s GLU 52 CO -0.11 -0.47 1.07 0.54 0.02 0.00 0.00 175.26 176.31 1w9t n ARG 53 N -0.93 -7.12 -2.98 1.61 1.74 -1.01 -4.49 116.66 103.49 1w9t n ARG 53 Ca 0.09 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.59 1w9t n ARG 53 Cb 0.52 -5.84 -0.05 0.00 -1.02 0.00 0.00 32.46 26.07 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 -3.34 4.87 -0.29 1.55 1.01 0.38 -0.60 120.40 123.98 1w9t s VAL 54 Ca 0.24 1.29 -0.09 0.00 0.00 0.00 0.00 61.98 63.43 1w9t s VAL 54 Cb -0.11 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1w9t s VAL 54 CO 0.72 -0.11 0.12 -2.28 0.00 0.00 0.00 175.10 173.55 1w9t s HIS 55 N 2.78 3.15 -0.38 5.22 2.46 -0.65 -0.80 115.29 127.06 1w9t s HIS 55 Ca 0.31 -0.52 -0.15 0.00 0.47 0.00 0.00 55.06 55.17 1w9t s HIS 55 Cb -0.15 -2.31 0.01 0.00 -0.13 0.00 0.00 32.58 30.00 1w9t s HIS 55 CO 0.10 -0.42 0.31 -0.06 -2.47 0.00 0.00 174.74 172.20 1w9t s PHE 56 N 1.61 3.22 -0.53 3.88 0.40 0.75 -4.27 117.98 123.04 1w9t s PHE 56 Ca 0.05 -0.37 0.24 0.00 -0.60 0.00 0.00 56.93 56.25 1w9t s PHE 56 Cb -0.16 -2.61 0.39 0.00 0.51 0.00 0.00 43.02 41.15 1w9t s PHE 56 CO 0.05 -0.52 1.46 1.05 0.70 0.00 0.00 175.22 177.96 1w9t h GLU 57 N 8.58 0.00 -4.44 0.44 4.11 -1.94 0.09 114.58 121.42 1w9t h GLU 57 Ca -0.28 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.93 1w9t h GLU 57 Cb 1.13 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.24 1w9t h GLU 57 CO 0.71 0.00 -0.55 -0.98 0.07 0.00 0.00 179.01 178.26 1w9t s ARG 58 N -3.20 1.23 0.25 1.06 1.70 -1.26 -4.87 118.95 113.86 1w9t s ARG 58 Ca 0.06 -1.56 -0.30 0.00 -0.47 0.00 0.00 55.73 53.46 1w9t s ARG 58 Cb 0.10 0.30 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 1w9t s ARG 58 CO 0.69 -0.42 1.36 -0.51 -1.08 0.00 0.00 175.30 175.34 1w9t s ASP 59 N -3.13 6.77 0.08 -2.89 1.01 -1.26 -4.40 116.67 112.85 1w9t s ASP 59 Ca 0.36 2.58 -0.10 0.00 0.71 0.00 0.00 52.55 56.10 1w9t s ASP 59 Cb 0.06 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1w9t s ASP 59 CO 0.11 -0.59 0.40 0.00 0.21 0.00 0.00 175.17 175.29 1w9t s ALA 60 N -0.26 3.73 -0.02 5.23 0.00 -0.20 -4.50 121.76 125.73 1w9t s ALA 60 Ca 0.56 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1w9t s ALA 60 Cb -0.39 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1w9t s ALA 60 CO 0.44 0.57 0.02 -1.13 0.00 0.00 0.00 175.76 175.66 1w9t n SER 61 N 0.87 0.86 -3.63 0.00 3.41 0.19 -2.47 113.62 112.83 1w9t n SER 61 Ca -0.08 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 1w9t n SER 61 Cb 0.52 1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.45 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 -1.23 -0.39 0.02 4.04 1.04 -1.14 -1.45 113.70 114.59 1w9t s SER 62 Ca 0.00 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.18 1w9t s SER 62 Cb 0.00 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1w9t s SER 62 CO 0.03 -1.10 -0.16 -0.51 0.98 0.00 0.00 173.24 172.48 1w9t s ILE 63 N -3.83 1.30 -0.08 -1.02 2.07 -0.25 -1.38 121.20 118.01 1w9t s ILE 63 Ca 0.06 -0.93 0.05 0.00 -1.41 0.00 0.00 60.65 58.42 1w9t s ILE 63 Cb -0.02 -1.13 -0.00 0.00 0.13 0.00 0.00 42.46 41.43 1w9t s ILE 63 CO -0.05 0.18 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.31 1w9t s GLU 64 N -0.87 2.76 -0.03 3.50 2.02 0.58 -1.50 118.70 125.16 1w9t s GLU 64 Ca 0.05 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.18 1w9t s GLU 64 Cb -0.07 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 31.97 1w9t s GLU 64 CO 0.01 0.27 -0.05 0.08 0.02 0.00 0.00 175.26 175.58 1w9t s VAL 65 N 0.12 0.49 -0.34 2.63 1.01 0.19 -0.73 120.40 123.76 1w9t s VAL 65 Ca -0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1w9t s VAL 65 Cb -0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1w9t s VAL 65 CO 0.06 0.18 0.47 -0.60 0.00 0.00 0.00 175.10 175.21 1w9t s ARG 66 N 0.48 3.66 0.08 2.72 6.06 -0.36 -0.79 118.95 130.80 1w9t s ARG 66 Ca -0.06 -0.19 0.02 0.00 -2.50 0.00 0.00 55.73 53.00 1w9t s ARG 66 Cb -0.10 -3.79 -0.04 0.00 0.06 0.00 0.00 34.95 31.09 1w9t s ARG 66 CO -0.00 -0.57 -0.07 0.14 -2.50 0.00 0.00 175.30 172.30 1w9t s VAL 67 N 2.27 0.67 0.01 7.11 -7.23 0.05 -0.83 120.40 122.45 1w9t s VAL 67 Ca 0.17 -1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 1w9t s VAL 67 Cb -0.16 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1w9t s VAL 67 CO 0.12 -0.72 0.15 0.00 -0.31 0.00 0.00 175.10 174.34 1w9t s ALA 68 N -2.95 -0.33 -0.25 1.32 0.00 -0.73 -1.14 121.76 117.68 1w9t s ALA 68 Ca 0.06 -0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1w9t s ALA 68 Cb 0.01 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.35 1w9t s ALA 68 CO -0.03 -0.26 0.65 0.45 0.00 0.00 0.00 175.76 176.57 1w9t s SER 69 N -1.62 -0.70 0.00 0.00 0.15 -1.12 -0.02 113.70 110.39 1w9t s SER 69 Ca -0.12 1.32 0.24 0.00 0.70 0.00 0.00 55.95 58.09 1w9t s SER 69 Cb -0.05 1.32 0.39 0.00 -1.71 0.00 0.00 66.02 65.96 1w9t s SER 69 CO -0.00 -0.23 1.38 -0.67 1.20 0.00 0.00 173.24 174.92 1w9t n ASP 70 N 2.92 3.09 -3.09 5.45 2.03 -1.25 -1.22 116.55 124.47 1w9t n ASP 70 Ca -0.15 -1.96 -0.13 0.00 0.52 0.00 0.00 54.79 53.08 1w9t n ASP 70 Cb 0.56 -0.13 -0.02 0.00 -0.72 0.00 0.00 41.12 40.80 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 1.31 0.00 0.17 5.18 -2.24 -1.26 -4.85 114.28 112.59 1w9t n THR 71 Ca 0.17 -0.95 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1w9t n THR 71 Cb 0.58 0.10 0.60 0.00 -2.10 0.00 0.00 70.33 69.50 1w9t n THR 71 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1w9t h PRO 72 N 0.00 0.00 0.00 -0.78 0.11 -1.89 -3.28 132.00 126.17 1w9t h PRO 72 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1w9t h PRO 72 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1w9t h PRO 72 CO 0.27 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.47 1w9t n GLY 73 N -1.29 -0.58 0.00 -0.55 0.00 -1.25 -3.47 105.19 98.06 1w9t n GLY 73 Ca -0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.89 3.29 -0.02 0.00 -0.14 -4.67 105.19 102.76 1w9t n GLY 74 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.42 1.04 -0.17 1.61 1.70 0.29 -0.42 118.95 122.58 1w9t s ARG 75 Ca 0.00 -1.04 0.01 0.00 -0.47 0.00 0.00 55.73 54.23 1w9t s ARG 75 Cb 0.00 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 1w9t s ARG 75 CO 0.00 -0.37 -0.20 0.42 -1.08 0.00 0.00 175.30 174.07 1w9t s ILE 76 N -3.91 2.13 -0.08 4.99 1.01 0.20 -1.02 121.20 124.51 1w9t s ILE 76 Ca 0.11 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 1w9t s ILE 76 Cb 0.04 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1w9t s ILE 76 CO -0.05 0.54 0.36 -1.61 0.00 0.00 0.00 174.94 174.18 1w9t s GLU 77 N 1.16 4.05 -0.28 2.79 2.02 0.17 -0.25 118.70 128.38 1w9t s GLU 77 Ca 0.02 0.27 -0.10 0.00 0.02 0.00 0.00 54.97 55.19 1w9t s GLU 77 Cb -0.14 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 1w9t s GLU 77 CO -0.10 0.47 0.15 0.42 0.02 0.00 0.00 175.26 176.22 1w9t s ILE 78 N -0.29 4.86 0.14 -1.63 -1.09 0.06 -1.28 121.20 121.97 1w9t s ILE 78 Ca 0.21 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1w9t s ILE 78 Cb -0.15 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1w9t s ILE 78 CO 0.09 0.24 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.84 1w9t s ARG 79 N 1.69 1.02 0.18 2.79 0.52 -0.63 -0.04 118.95 124.48 1w9t s ARG 79 Ca 0.06 -1.44 0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1w9t s ARG 79 Cb -0.16 -0.49 -0.05 0.00 0.52 0.00 0.00 34.95 34.78 1w9t s ARG 79 CO 0.08 0.02 -0.07 0.95 0.02 0.00 0.00 175.30 176.30 1w9t s THR 80 N -3.44 1.16 0.00 0.02 -4.23 -1.26 -0.39 115.64 107.51 1w9t s THR 80 Ca 0.17 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1w9t s THR 80 Cb 0.04 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1w9t s THR 80 CO -0.00 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1w9t n GLY 81 N -0.28 1.57 3.82 3.99 0.00 -0.16 -4.03 105.19 110.09 1w9t n GLY 81 Ca -0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.15 0.42 1.61 1.04 -1.26 -4.96 113.70 110.40 1w9t s SER 82 Ca 0.00 -0.80 0.29 0.00 0.48 0.00 0.00 55.95 55.92 1w9t s SER 82 Cb 0.00 0.75 1.41 0.00 0.10 0.00 0.00 66.02 68.29 1w9t s SER 82 CO 0.00 -1.43 1.89 -0.65 0.98 0.00 0.00 173.24 174.03 1w9t h PRO 83 N 2.02 0.00 -0.21 4.02 0.11 -1.96 -1.67 132.00 134.32 1w9t h PRO 83 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 0.29 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.33 1w9t n THR 84 N -2.59 0.25 -0.97 -1.15 -2.24 -1.26 -4.99 114.28 101.33 1w9t n THR 84 Ca -0.00 -0.63 -0.31 0.00 -2.27 0.00 0.00 64.05 60.84 1w9t n THR 84 Cb 0.16 1.23 0.13 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.69 1.75 0.13 3.38 0.00 -0.63 -4.83 107.32 105.42 1w9t s GLY 85 Ca 0.32 0.51 -0.35 0.00 0.00 0.00 0.00 44.72 45.20 1w9t s GLY 85 CO 0.30 0.90 1.29 2.41 0.00 0.00 0.00 173.10 177.99 1w9t n THR 86 N -3.84 0.38 -1.74 0.90 -1.04 -1.26 -4.51 114.28 103.17 1w9t n THR 86 Ca 0.11 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 1w9t n THR 86 Cb 0.52 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 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 0.56 4.18 0.09 -4.42 2.96 -1.26 -4.03 118.68 116.76 1w9t s LEU 87 Ca 0.79 2.37 0.22 0.00 -0.22 0.00 0.00 54.13 57.29 1w9t s LEU 87 Cb -0.89 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.16 1w9t s LEU 87 CO 0.48 -1.23 0.84 0.18 -1.32 0.00 0.00 176.35 175.30 1w9t n LEU 88 N 8.38 0.50 0.00 -0.68 4.77 0.94 -5.02 117.00 125.90 1w9t n LEU 88 Ca 0.21 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1w9t n LEU 88 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1w9t n LEU 88 CO 0.66 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1w9t n GLY 89 N 1.24 1.18 3.29 -0.72 0.00 -1.23 -1.28 105.19 107.66 1w9t n GLY 89 Ca -0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 0.10 -0.03 1.61 3.84 -1.23 -0.76 116.67 120.20 1w9t s ASP 90 Ca 0.00 -1.26 0.01 0.00 -0.00 0.00 0.00 52.55 51.30 1w9t s ASP 90 Cb 0.00 0.42 0.02 0.00 -1.38 0.00 0.00 42.92 41.98 1w9t s ASP 90 CO 0.00 -0.90 -0.02 -0.69 -0.00 0.00 0.00 175.17 173.56 1w9t s VAL 91 N -4.12 0.31 -0.04 2.11 1.01 0.66 -4.18 120.40 116.16 1w9t s VAL 91 Ca 0.34 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 1w9t s VAL 91 Cb 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1w9t s VAL 91 CO 0.10 0.16 0.69 -1.10 0.00 0.00 0.00 175.10 174.95 1w9t s GLN 92 N 0.76 4.43 -0.22 2.72 -1.52 -1.26 -0.63 119.66 123.94 1w9t s GLN 92 Ca -0.09 0.88 -0.00 0.00 -1.95 0.00 0.00 55.36 54.20 1w9t s GLN 92 Cb -0.12 -3.41 0.02 0.00 -0.22 0.00 0.00 33.01 29.28 1w9t s GLN 92 CO -0.01 0.16 -0.12 0.08 -0.25 0.00 0.00 175.29 175.15 1w9t s VAL 93 N 0.48 2.55 0.62 1.09 1.01 0.44 -4.84 120.40 121.77 1w9t s VAL 93 Ca 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1w9t s VAL 93 Cb -0.18 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1w9t s VAL 93 CO 0.19 0.32 0.89 -2.16 0.00 0.00 0.00 175.10 174.34 1w9t s PRO 94 N 1.30 2.35 0.23 2.72 0.04 -1.26 -0.97 135.00 139.41 1w9t s PRO 94 Ca 0.02 -0.57 -0.32 0.00 0.04 0.00 0.00 61.00 60.17 1w9t s PRO 94 Cb -0.15 -2.34 -0.12 0.00 0.04 0.00 0.00 34.50 31.92 1w9t s PRO 94 CO -0.07 -0.98 1.61 -1.71 0.04 0.00 0.00 177.00 175.89 1w9t n ASN 95 N -2.62 3.61 -0.32 6.66 5.15 -1.23 -4.46 115.26 122.06 1w9t n ASN 95 Ca 0.08 1.10 0.04 0.00 -0.60 0.00 0.00 54.58 55.21 1w9t n ASN 95 Cb 0.60 -1.53 0.04 0.00 -0.53 0.00 0.00 39.78 38.36 1w9t n ASN 95 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1w9t n THR 96 N 2.99 0.10 -0.05 -0.44 -2.24 -0.36 -4.94 114.28 109.34 1w9t n THR 96 Ca 0.13 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1w9t n THR 96 Cb 0.34 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 0.41 0.53 0.00 3.38 0.00 -1.14 -4.79 105.19 103.58 1w9t n GLY 97 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 2.23 0.24 -0.02 0.00 -1.11 -4.90 105.19 99.63 1w9t n GLY 98 Ca 0.00 -0.89 0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.55 115.95 117.16 1w9t h TRP 99 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1w9t h TRP 99 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.10 1w9t h TRP 99 CO 0.00 0.00 -0.49 1.04 -3.56 0.00 0.00 178.44 175.43 1w9t n GLN 100 N -2.87 1.23 -3.40 0.49 1.13 -1.26 -4.68 117.38 108.02 1w9t n GLN 100 Ca 0.01 -2.89 -0.45 0.00 -1.94 0.00 0.00 57.00 51.74 1w9t n GLN 100 Cb 0.30 -1.31 -0.05 0.00 0.11 0.00 0.00 30.24 29.30 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 -2.56 3.12 0.11 -1.09 -1.52 -0.98 -4.74 119.66 112.00 1w9t s GLN 101 Ca 0.35 -2.11 -0.12 0.00 -1.95 0.00 0.00 55.36 51.53 1w9t s GLN 101 Cb 0.34 -4.24 -0.06 0.00 -0.22 0.00 0.00 33.01 28.83 1w9t s GLN 101 CO -0.06 -1.28 0.47 -1.58 -0.25 0.00 0.00 175.29 172.59 1w9t s TRP 102 N 0.81 3.60 0.05 0.91 0.52 -1.26 -4.39 118.94 119.18 1w9t s TRP 102 Ca 0.11 0.93 -0.05 0.00 0.02 0.00 0.00 56.10 57.11 1w9t s TRP 102 Cb -0.20 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1w9t s TRP 102 CO -0.03 0.49 0.09 -0.65 0.02 0.00 0.00 176.95 176.86 1w9t s GLN 103 N -1.88 0.64 -0.19 4.98 -0.21 -0.29 -4.98 119.66 117.73 1w9t s GLN 103 Ca 0.35 -0.90 -0.07 0.00 0.02 0.00 0.00 55.36 54.75 1w9t s GLN 103 Cb -0.15 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 1w9t s GLN 103 CO 0.18 -0.16 0.06 0.99 -2.12 0.00 0.00 175.29 174.24 1w9t s THR 104 N -3.16 4.65 0.30 -0.19 2.01 -1.26 -0.77 115.64 117.22 1w9t s THR 104 Ca -0.00 -0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.03 1w9t s THR 104 Cb 0.02 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1w9t s THR 104 CO -0.07 0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 174.81 1w9t s VAL 105 N 0.60 2.38 0.05 3.82 -7.23 0.03 -4.94 120.40 115.11 1w9t s VAL 105 Ca 0.03 -2.35 0.01 0.00 -1.81 0.00 0.00 61.98 57.86 1w9t s VAL 105 Cb -0.13 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1w9t s VAL 105 CO 0.01 -0.35 -0.05 0.42 -0.31 0.00 0.00 175.10 174.82 1w9t s THR 106 N -2.56 0.38 0.01 5.32 -4.23 -1.26 -0.64 115.64 112.67 1w9t s THR 106 Ca 0.30 -1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1w9t s THR 106 Cb -0.03 -0.82 0.01 0.00 1.34 0.00 0.00 72.50 73.00 1w9t s THR 106 CO 0.15 -0.60 0.21 -0.83 -0.54 0.00 0.00 174.62 173.02 1w9t s GLY 107 N -2.00 -0.02 0.42 3.99 0.00 -0.57 -4.64 107.32 104.50 1w9t s GLY 107 Ca -0.06 -0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 1w9t s GLY 107 CO -0.03 -0.23 1.15 -1.31 0.00 0.00 0.00 173.10 172.69 1w9t s ASN 108 N -1.66 6.44 0.17 1.64 0.01 -1.26 -1.09 114.94 119.19 1w9t s ASN 108 Ca -0.10 2.29 0.01 0.00 -0.71 0.00 0.00 52.86 54.34 1w9t s ASN 108 Cb -0.04 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1w9t s ASN 108 CO 0.00 -0.73 0.03 0.68 -1.51 0.00 0.00 177.10 175.57 1w9t s VAL 109 N -1.49 0.50 -0.23 1.60 -7.23 -0.53 -3.57 120.40 109.45 1w9t s VAL 109 Ca 0.59 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1w9t s VAL 109 Cb -0.29 -2.15 0.07 0.00 0.56 0.00 0.00 36.38 34.57 1w9t s VAL 109 CO 0.36 -0.42 0.02 -1.10 -0.31 0.00 0.00 175.10 173.65 1w9t s GLN 110 N -3.97 0.96 -0.10 4.82 -0.21 -0.40 -4.06 119.66 116.70 1w9t s GLN 110 Ca 0.26 -0.73 -0.01 0.00 0.02 0.00 0.00 55.36 54.89 1w9t s GLN 110 Cb 0.07 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.86 1w9t s GLN 110 CO 0.04 -0.70 -0.04 0.42 -2.12 0.00 0.00 175.29 172.89 1w9t s ILE 111 N 1.66 0.78 0.58 1.08 1.01 -1.03 -4.84 121.20 120.44 1w9t s ILE 111 Ca -0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1w9t s ILE 111 Cb -0.18 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1w9t s ILE 111 CO -0.11 0.31 1.01 -1.10 0.00 0.00 0.00 174.94 175.05 1w9t s GLN 112 N 1.81 3.71 0.41 2.79 -0.21 -1.26 -1.03 119.66 125.87 1w9t s GLN 112 Ca 0.05 0.80 -0.25 0.00 0.02 0.00 0.00 55.36 55.97 1w9t s GLN 112 Cb -0.13 -2.11 -0.11 0.00 1.00 0.00 0.00 33.01 31.67 1w9t s GLN 112 CO -0.07 -0.46 1.16 -2.30 -2.12 0.00 0.00 175.29 171.50 1w9t n PRO 113 N -2.34 1.70 0.00 2.91 -0.02 -1.26 -4.87 135.00 131.12 1w9t n PRO 113 Ca 0.06 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1w9t n PRO 113 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.97 0.52 3.44 -1.23 0.00 0.02 -4.97 105.19 103.94 1w9t n GLY 114 Ca 0.08 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.82 3.67 0.08 2.61 2.01 -1.26 -0.18 115.64 120.75 1w9t s THR 115 Ca 0.00 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1w9t s THR 115 Cb 0.00 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1w9t s THR 115 CO 0.00 0.48 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.02 1w9t s TYR 116 N 0.60 0.87 -0.47 4.92 1.51 0.02 -4.91 117.35 119.89 1w9t s TYR 116 Ca -0.03 -0.70 -0.25 0.00 -1.01 0.00 0.00 57.07 55.08 1w9t s TYR 116 Cb -0.15 -0.50 0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1w9t s TYR 116 CO 0.03 -0.08 0.89 -0.51 -1.11 0.00 0.00 175.55 174.76 1w9t s ASP 117 N -2.38 6.44 -0.15 2.29 1.01 -1.26 -0.47 116.67 122.16 1w9t s ASP 117 Ca 0.03 -0.04 -0.18 0.00 0.71 0.00 0.00 52.55 53.07 1w9t s ASP 117 Cb -0.02 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1w9t s ASP 117 CO -0.02 -1.05 0.48 -0.69 0.21 0.00 0.00 175.17 174.11 1w9t s VAL 118 N 3.66 5.17 -0.10 -1.27 1.01 0.24 -0.99 120.40 128.12 1w9t s VAL 118 Ca 0.34 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1w9t s VAL 118 Cb -0.11 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1w9t s VAL 118 CO 0.24 0.28 -0.14 -0.31 0.00 0.00 0.00 175.10 175.17 1w9t s TYR 119 N 0.93 2.75 -0.25 5.22 2.02 0.47 -0.58 117.35 127.92 1w9t s TYR 119 Ca 0.25 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.39 1w9t s TYR 119 Cb -0.15 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1w9t s TYR 119 CO 0.10 -0.06 0.13 -0.51 -1.57 0.00 0.00 175.55 173.63 1w9t s LEU 120 N -0.07 3.81 -0.17 -1.29 1.02 -0.29 -1.60 118.68 120.08 1w9t s LEU 120 Ca -0.03 -0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 1w9t s LEU 120 Cb -0.14 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.04 1w9t s LEU 120 CO 0.04 -0.00 -0.13 -0.69 0.02 0.00 0.00 176.35 175.59 1w9t s VAL 121 N 1.44 2.79 -0.12 -1.59 1.01 -0.40 -1.42 120.40 122.11 1w9t s VAL 121 Ca 0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1w9t s VAL 121 Cb -0.15 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1w9t s VAL 121 CO 0.06 0.50 0.25 -0.36 0.00 0.00 0.00 175.10 175.55 1w9t s PHE 122 N 1.03 3.56 0.02 5.22 0.08 0.03 -0.65 117.98 127.27 1w9t s PHE 122 Ca -0.01 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.68 1w9t s PHE 122 Cb -0.15 -2.18 -0.01 0.00 -0.57 0.00 0.00 43.02 40.11 1w9t s PHE 122 CO -0.03 0.50 -0.04 0.15 -0.10 0.00 0.00 175.22 175.70 1w9t s LYS 123 N -0.38 0.34 0.00 0.44 -0.14 -0.19 0.06 119.74 119.87 1w9t s LYS 123 Ca 0.17 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 1w9t s LYS 123 Cb -0.13 -0.13 0.00 0.00 -1.68 0.00 0.00 37.83 35.89 1w9t s LYS 123 CO 0.05 0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.07 1w9t n GLY 124 N 2.10 -0.52 3.77 -3.33 0.00 -1.26 -0.55 105.19 105.39 1w9t n GLY 124 Ca -0.19 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 6.25 0.00 1.61 0.15 -1.26 -4.71 113.70 111.74 1w9t s SER 125 Ca 0.00 2.73 0.23 0.00 0.70 0.00 0.00 55.95 59.61 1w9t s SER 125 Cb 0.00 -2.64 1.05 0.00 -1.71 0.00 0.00 66.02 62.71 1w9t s SER 125 CO 0.00 -0.90 1.74 -0.81 1.20 0.00 0.00 173.24 174.47 1w9t n PRO 126 N 0.12 0.12 0.00 5.44 -0.04 -1.26 -4.02 135.00 135.36 1w9t n PRO 126 Ca 0.04 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1w9t n PRO 126 Cb 0.43 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.42 0.34 -3.65 0.54 1.02 -1.26 -4.86 120.64 111.35 1w9t n GLU 127 Ca 0.08 -0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.95 1w9t n GLU 127 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 1w9t n GLU 127 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1w9t s TYR 128 N -2.75 -0.30 0.46 -0.32 -0.85 -1.26 -5.14 117.35 107.19 1w9t s TYR 128 Ca 0.20 0.29 -0.24 0.00 -0.52 0.00 0.00 57.07 56.80 1w9t s TYR 128 Cb 0.19 0.24 -0.07 0.00 0.38 0.00 0.00 41.96 42.69 1w9t s TYR 128 CO 0.56 -0.57 1.25 -0.51 -1.52 0.00 0.00 175.55 174.76 1w9t s ASP 129 N -1.93 6.03 -0.26 -0.18 1.11 -1.26 -4.74 116.67 115.44 1w9t s ASP 129 Ca -0.06 2.53 -0.05 0.00 0.18 0.00 0.00 52.55 55.15 1w9t s ASP 129 Cb -0.01 -2.62 -0.16 0.00 1.07 0.00 0.00 42.92 41.20 1w9t s ASP 129 CO -0.01 -1.03 -0.23 0.18 1.18 0.00 0.00 175.17 175.25 1w9t n LEU 130 N -0.38 2.56 -3.65 1.23 4.77 0.14 -4.68 117.00 116.99 1w9t n LEU 130 Ca 0.07 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 1w9t n LEU 130 Cb 0.46 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1w9t n LEU 130 CO 0.52 0.78 1.02 0.00 -1.33 0.00 0.00 177.39 178.38 1w9t s MET 131 N -2.51 0.50 0.16 3.23 0.23 -1.26 -3.78 119.30 115.86 1w9t s MET 131 Ca -0.36 -0.28 0.11 0.00 -1.03 0.00 0.00 55.69 54.13 1w9t s MET 131 Cb 0.11 0.17 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 1w9t s MET 131 CO 0.57 -0.23 -0.25 -0.80 -2.03 0.00 0.00 175.02 172.28 1w9t s ASN 132 N -3.01 3.44 -0.04 -1.18 0.01 0.97 -4.09 114.94 111.05 1w9t s ASN 132 Ca 0.14 -0.78 0.01 0.00 -0.71 0.00 0.00 52.86 51.52 1w9t s ASN 132 Cb 0.04 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.45 1w9t s ASN 132 CO -0.03 0.15 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.01 1w9t s VAL 133 N -1.34 0.32 -0.19 1.60 1.01 -0.59 -1.77 120.40 119.43 1w9t s VAL 133 Ca 0.17 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1w9t s VAL 133 Cb -0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 36.38 35.77 1w9t s VAL 133 CO 0.08 0.18 0.03 -3.20 0.00 0.00 0.00 175.10 172.19 1w9t n ASN 134 N 4.15 1.85 -3.64 3.32 2.85 -0.01 -1.12 115.26 122.65 1w9t n ASN 134 Ca -0.25 0.49 -0.06 0.00 -0.11 0.00 0.00 54.58 54.64 1w9t n ASN 134 Cb 0.50 -0.92 -0.01 0.00 1.24 0.00 0.00 39.78 40.60 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 -2.34 -0.11 0.08 1.20 1.48 -1.25 -1.12 118.94 116.87 1w9t s TRP 135 Ca -0.25 -0.36 -0.11 0.00 -1.06 0.00 0.00 56.10 54.32 1w9t s TRP 135 Cb 0.05 0.72 0.01 0.00 -1.16 0.00 0.00 33.47 33.09 1w9t s TRP 135 CO 0.45 -1.21 0.25 -0.59 -4.06 0.00 0.00 176.95 171.80 1w9t s PHE 136 N -3.41 0.02 -0.14 1.66 -0.71 -0.56 -1.22 117.98 113.62 1w9t s PHE 136 Ca 0.13 -0.34 -0.19 0.00 -1.04 0.00 0.00 56.93 55.49 1w9t s PHE 136 Cb -0.05 0.03 0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1w9t s PHE 136 CO 0.07 -0.54 0.50 0.54 -1.34 0.00 0.00 175.22 174.44 1w9t s VAL 137 N -3.37 0.01 0.37 -2.49 0.11 0.09 -0.53 120.40 114.59 1w9t s VAL 137 Ca 0.01 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1w9t s VAL 137 Cb 0.02 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1w9t s VAL 137 CO -0.08 -0.04 0.58 -0.36 -3.33 0.00 0.00 175.10 171.86 1w9t s PHE 138 N -0.20 3.49 -0.01 1.54 0.40 0.48 -0.31 117.98 123.37 1w9t s PHE 138 Ca -0.04 0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1w9t s PHE 138 Cb -0.03 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 1w9t s PHE 138 CO 0.03 0.05 -0.12 1.03 0.70 0.00 0.00 175.22 176.90 1w9t s ARG 139 N -4.38 1.01 0.00 0.44 1.81 -0.48 -4.50 118.95 112.87 1w9t s ARG 139 Ca 0.41 -0.43 0.24 0.00 -1.72 0.00 0.00 55.73 54.24 1w9t s ARG 139 Cb -0.10 -0.97 0.27 0.00 -0.45 0.00 0.00 34.95 33.70 1w9t s ARG 139 CO 0.37 0.25 1.30 0.00 -0.68 0.00 0.00 175.30 176.54