#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aaw n GLU 2 N 0.00 -0.66 -3.76 3.17 -0.58 -1.26 -4.93 120.64 112.62 3aaw n GLU 2 Ca 0.00 0.28 -0.35 0.00 -0.42 0.00 0.00 57.16 56.67 3aaw n GLU 2 Cb 0.00 -2.92 -0.05 0.00 -0.57 0.00 0.00 31.44 27.90 3aaw n GLU 2 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3aaw s GLU 3 N -6.67 3.58 0.06 3.49 -1.05 -1.26 -4.95 118.70 111.91 3aaw s GLU 3 Ca 0.41 -0.05 -0.08 0.00 -0.15 0.00 0.00 54.97 55.10 3aaw s GLU 3 Cb -0.21 -3.11 -0.00 0.00 -0.44 0.00 0.00 34.13 30.37 3aaw s GLU 3 CO 0.93 0.67 0.17 0.00 0.95 0.00 0.00 175.26 177.98 3aaw s ALA 4 N -1.24 -0.21 -0.01 -0.84 0.00 -1.26 -4.64 121.76 113.56 3aaw s ALA 4 Ca 0.25 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3aaw s ALA 4 Cb -0.13 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 3aaw s ALA 4 CO 0.14 -0.43 -0.06 0.54 0.00 0.00 0.00 175.76 175.96 3aaw s VAL 5 N -3.26 0.47 -0.28 0.00 0.11 -0.40 -5.01 120.40 112.04 3aaw s VAL 5 Ca 0.00 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 3aaw s VAL 5 Cb 0.02 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3aaw s VAL 5 CO -0.08 0.14 0.04 -0.76 -3.33 0.00 0.00 175.10 171.11 3aaw s LEU 6 N -0.09 3.64 -0.06 2.54 1.02 -1.26 -1.16 118.68 123.31 3aaw s LEU 6 Ca 0.02 -0.74 0.17 0.00 0.02 0.00 0.00 54.13 53.60 3aaw s LEU 6 Cb -0.03 -1.82 -0.26 0.00 0.02 0.00 0.00 46.19 44.10 3aaw s LEU 6 CO -0.00 -0.17 0.32 0.35 0.02 0.00 0.00 176.35 176.87 3aaw n THR 7 N 4.81 0.26 0.00 5.49 -2.24 -0.03 -4.99 114.28 117.58 3aaw n THR 7 Ca -0.15 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3aaw n THR 7 Cb 0.48 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3aaw n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aaw n GLY 8 N 1.59 -0.89 3.21 3.38 0.00 -1.10 -4.94 105.19 106.43 3aaw n GLY 8 Ca -0.09 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3aaw n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aaw s VAL 9 N -2.00 1.96 -0.02 1.61 1.01 -1.26 -0.65 120.40 121.05 3aaw s VAL 9 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.05 3aaw s VAL 9 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3aaw s VAL 9 CO 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 3aaw s ALA 10 N 0.26 2.66 0.22 5.51 0.00 -0.55 -4.98 121.76 124.89 3aaw s ALA 10 Ca -0.15 -1.04 0.11 0.00 0.00 0.00 0.00 51.96 50.87 3aaw s ALA 10 Cb -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 3aaw s ALA 10 CO 0.07 0.57 -0.21 0.95 0.00 0.00 0.00 175.76 177.14 3aaw s THR 11 N -0.81 2.27 -0.10 0.00 -4.23 -1.26 -0.93 115.64 110.58 3aaw s THR 11 Ca 0.13 -2.15 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 3aaw s THR 11 Cb -0.11 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.66 3aaw s THR 11 CO 0.02 -0.27 0.55 -0.62 -0.54 0.00 0.00 174.62 173.77 3aaw s ASP 12 N -2.98 -0.53 -0.19 3.99 2.15 -0.05 -4.99 116.67 114.07 3aaw s ASP 12 Ca 0.23 0.73 0.23 0.00 0.43 0.00 0.00 52.55 54.17 3aaw s ASP 12 Cb -0.06 0.72 0.48 0.00 -0.30 0.00 0.00 42.92 43.75 3aaw s ASP 12 CO 0.11 -0.42 1.14 2.29 -0.17 0.00 0.00 175.17 178.11 3aaw n LYS 13 N 1.67 1.26 -0.18 4.34 2.85 -1.26 -0.98 118.16 125.86 3aaw n LYS 13 Ca -0.18 -3.01 0.12 0.00 -1.05 0.00 0.00 58.31 54.19 3aaw n LYS 13 Cb 0.56 -1.10 0.21 0.00 -0.65 0.00 0.00 35.03 34.05 3aaw n LYS 13 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3aaw n SER 14 N -0.36 3.42 -4.47 -5.58 3.41 -1.26 -4.99 113.62 103.79 3aaw n SER 14 Ca 0.05 -1.99 -0.24 0.00 -0.26 0.00 0.00 58.87 56.43 3aaw n SER 14 Cb 0.89 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 3aaw n SER 14 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3aaw s GLU 15 N -1.54 1.68 0.14 4.33 2.02 -1.26 -1.71 118.70 122.37 3aaw s GLU 15 Ca 0.38 -1.78 0.07 0.00 0.02 0.00 0.00 54.97 53.66 3aaw s GLU 15 Cb 0.23 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 3aaw s GLU 15 CO 0.32 0.30 -0.05 0.00 0.02 0.00 0.00 175.26 175.84 3aaw s ALA 16 N -2.55 3.08 -0.12 5.21 0.00 -0.02 -4.37 121.76 122.97 3aaw s ALA 16 Ca 0.30 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3aaw s ALA 16 Cb -0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3aaw s ALA 16 CO 0.15 0.55 -0.05 -1.59 0.00 0.00 0.00 175.76 174.82 3aaw s LYS 17 N -2.62 3.36 -0.06 0.00 -2.85 -0.27 -2.03 119.74 115.28 3aaw s LYS 17 Ca 0.25 -0.52 0.05 0.00 -1.00 0.00 0.00 55.97 54.74 3aaw s LYS 17 Cb -0.10 -2.81 -0.02 0.00 -2.06 0.00 0.00 37.83 32.85 3aaw s LYS 17 CO 0.16 0.39 -0.20 0.08 0.10 0.00 0.00 175.35 175.88 3aaw s VAL 18 N -0.06 2.50 -0.13 1.79 1.01 -0.28 -2.14 120.40 123.09 3aaw s VAL 18 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3aaw s VAL 18 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3aaw s VAL 18 CO 0.03 0.57 -0.19 -0.89 0.00 0.00 0.00 175.10 174.62 3aaw s THR 19 N -0.38 1.81 -0.26 3.92 2.01 -0.98 -1.01 115.64 120.74 3aaw s THR 19 Ca 0.03 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 3aaw s THR 19 Cb -0.12 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 3aaw s THR 19 CO 0.02 0.50 0.64 -0.69 -0.69 0.00 0.00 174.62 174.40 3aaw s VAL 20 N 0.96 4.97 -0.21 3.82 1.01 0.88 -0.95 120.40 130.87 3aaw s VAL 20 Ca -0.05 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.93 3aaw s VAL 20 Cb -0.15 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3aaw s VAL 20 CO -0.03 -0.01 0.12 -0.76 0.00 0.00 0.00 175.10 174.41 3aaw s LEU 21 N 2.55 4.03 -0.22 3.92 1.43 0.40 -1.30 118.68 129.48 3aaw s LEU 21 Ca 0.26 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3aaw s LEU 21 Cb -0.15 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3aaw s LEU 21 CO 0.09 0.13 0.19 0.61 0.23 0.00 0.00 176.35 177.61 3aaw n GLY 22 N 3.82 0.67 3.75 -3.19 0.00 -0.47 0.31 105.19 110.09 3aaw n GLY 22 Ca -0.16 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 3aaw n GLY 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3aaw s ILE 23 N -3.05 4.14 0.19 -0.61 2.07 0.37 -4.06 121.20 120.24 3aaw s ILE 23 Ca 0.09 2.06 -0.30 0.00 -1.41 0.00 0.00 60.65 61.09 3aaw s ILE 23 Cb -0.04 -4.32 -0.08 0.00 0.13 0.00 0.00 42.46 38.16 3aaw s ILE 23 CO 0.12 0.48 1.05 -0.94 -1.91 0.00 0.00 174.94 173.75 3aaw s SER 24 N -1.05 7.36 -1.26 4.50 1.04 -1.26 -0.58 113.70 122.44 3aaw s SER 24 Ca 0.41 2.05 -0.13 0.00 0.48 0.00 0.00 55.95 58.76 3aaw s SER 24 Cb -0.26 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.40 3aaw s SER 24 CO 0.31 -0.13 1.65 -0.67 0.98 0.00 0.00 173.24 175.38 3aaw n ASP 25 N 2.13 5.06 -4.03 7.02 4.64 -0.24 -4.79 116.55 126.34 3aaw n ASP 25 Ca 0.01 -2.99 -0.08 0.00 -1.38 0.00 0.00 54.79 50.35 3aaw n ASP 25 Cb 0.47 -1.58 -0.09 0.00 -1.04 0.00 0.00 41.12 38.87 3aaw n ASP 25 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 3aaw s LYS 26 N 1.81 0.82 0.30 -0.67 -2.85 -1.26 -5.00 119.74 112.89 3aaw s LYS 26 Ca 0.44 -1.20 -0.29 0.00 -1.00 0.00 0.00 55.97 53.92 3aaw s LYS 26 Cb 0.02 0.27 -0.12 0.00 -2.06 0.00 0.00 37.83 35.94 3aaw s LYS 26 CO 0.01 -0.23 1.40 -2.30 0.10 0.00 0.00 175.35 174.33 3aaw n PRO 27 N -0.03 2.25 0.00 1.78 -0.02 -1.26 -3.32 135.00 134.40 3aaw n PRO 27 Ca -0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3aaw n PRO 27 Cb 0.62 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3aaw n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3aaw n GLY 28 N 1.44 0.55 0.14 -1.23 0.00 -1.26 -4.95 105.19 99.88 3aaw n GLY 28 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3aaw n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3aaw h GLU 29 N 3.67 0.49 -0.48 1.61 4.39 -1.86 -3.05 114.58 119.36 3aaw h GLU 29 Ca 0.00 -0.79 -0.04 0.00 0.34 0.00 0.00 59.36 58.88 3aaw h GLU 29 Cb 0.00 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3aaw h GLU 29 CO 0.00 1.37 0.16 0.00 -1.16 0.00 0.00 179.01 179.38 3aaw h ALA 30 N 0.31 0.63 -0.79 3.43 0.00 -1.90 -3.00 119.26 117.93 3aaw h ALA 30 Ca -0.21 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.72 3aaw h ALA 30 Cb 2.05 -0.19 -0.13 0.00 0.00 0.00 0.00 17.79 19.53 3aaw h ALA 30 CO 0.25 0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.90 3aaw h ALA 31 N 1.02 1.00 -0.95 0.00 0.00 -1.97 -0.98 119.26 117.38 3aaw h ALA 31 Ca 0.16 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3aaw h ALA 31 Cb 0.25 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3aaw h ALA 31 CO -0.01 -0.41 0.63 0.87 0.00 0.00 0.00 179.25 180.33 3aaw h LYS 32 N 0.19 1.24 -0.18 0.00 1.57 -1.41 0.48 116.57 118.46 3aaw h LYS 32 Ca 0.46 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.14 3aaw h LYS 32 Cb 0.85 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3aaw h LYS 32 CO -0.62 0.82 0.00 0.28 -0.57 0.00 0.00 179.45 179.37 3aaw h VAL 33 N 1.28 1.25 0.00 0.50 2.07 -1.20 -2.89 116.25 117.25 3aaw h VAL 33 Ca 0.35 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 3aaw h VAL 33 Cb -0.14 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3aaw h VAL 33 CO -0.08 0.25 -0.84 -0.26 0.02 0.00 0.00 177.57 176.67 3aaw h PHE 34 N 0.07 0.00 -0.33 1.57 -1.00 -1.08 -2.74 116.94 113.44 3aaw h PHE 34 Ca 0.05 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.71 3aaw h PHE 34 Cb 0.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3aaw h PHE 34 CO 0.03 0.38 -0.26 -0.09 -1.61 0.00 0.00 178.31 176.77 3aaw h ARG 35 N 0.00 0.75 0.01 1.51 9.65 -1.01 -0.73 114.38 124.57 3aaw h ARG 35 Ca -0.06 -0.37 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 3aaw h ARG 35 Cb 1.34 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 3aaw h ARG 35 CO 0.04 0.99 -0.05 0.00 2.80 0.00 0.00 179.97 183.76 3aaw h ALA 36 N 0.75 -0.06 -0.60 2.80 0.00 -1.48 0.23 119.26 120.90 3aaw h ALA 36 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3aaw h ALA 36 Cb 0.82 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3aaw h ALA 36 CO 0.07 -0.54 0.39 -0.07 0.00 0.00 0.00 179.25 179.10 3aaw h LEU 37 N -0.09 0.68 -0.17 0.00 3.38 -1.53 -2.65 115.31 114.93 3aaw h LEU 37 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3aaw h LEU 37 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3aaw h LEU 37 CO -0.04 0.49 0.08 0.00 0.09 0.00 0.00 178.44 179.06 3aaw h ALA 38 N 1.23 0.19 -0.50 1.53 0.00 -0.68 -2.01 119.26 119.02 3aaw h ALA 38 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3aaw h ALA 38 Cb -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3aaw h ALA 38 CO -0.06 -0.35 0.33 -0.44 0.00 0.00 0.00 179.25 178.74 3aaw h ASP 39 N 0.17 0.42 -0.00 0.00 3.32 -0.38 0.48 116.42 120.43 3aaw h ASP 39 Ca 0.07 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3aaw h ASP 39 Cb 0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3aaw h ASP 39 CO -0.05 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3aaw n ALA 40 N -2.50 2.56 -2.73 3.45 0.00 -0.96 -4.90 120.51 115.43 3aaw n ALA 40 Ca 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3aaw n ALA 40 Cb 0.21 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.50 3aaw n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3aaw n GLU 41 N -0.65 -3.04 -2.97 0.00 1.02 0.17 -4.96 120.64 110.20 3aaw n GLU 41 Ca 0.07 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.61 3aaw n GLU 41 Cb 0.03 -5.53 -0.05 0.00 -0.02 0.00 0.00 31.44 25.88 3aaw n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3aaw s ILE 42 N -2.97 4.93 -0.24 -3.67 -1.09 -0.80 -5.03 121.20 112.34 3aaw s ILE 42 Ca 0.15 1.46 -0.15 0.00 -2.23 0.00 0.00 60.65 59.88 3aaw s ILE 42 Cb -0.07 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3aaw s ILE 42 CO 0.18 0.05 0.37 0.21 -1.23 0.00 0.00 174.94 174.53 3aaw s ASN 43 N 1.19 6.33 0.28 3.58 2.47 -1.26 -4.46 114.94 123.06 3aaw s ASN 43 Ca 0.34 0.39 0.10 0.00 0.42 0.00 0.00 52.86 54.11 3aaw s ASN 43 Cb -0.16 -2.22 -0.04 0.00 -1.45 0.00 0.00 41.25 37.38 3aaw s ASN 43 CO 0.11 -0.12 -0.01 0.27 -3.72 0.00 0.00 177.10 173.63 3aaw s ILE 44 N 1.67 3.32 0.00 -5.21 -4.36 -1.26 -4.47 121.20 110.88 3aaw s ILE 44 Ca 0.16 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3aaw s ILE 44 Cb -0.15 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.74 3aaw s ILE 44 CO 0.09 -0.36 0.00 -0.67 0.24 0.00 0.00 174.94 174.24 3aaw n ASP 45 N -0.90 0.00 -4.77 4.36 4.64 -0.50 -5.01 116.55 114.38 3aaw n ASP 45 Ca -0.06 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 52.95 3aaw n ASP 45 Cb 0.59 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.65 3aaw n ASP 45 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3aaw s MET 46 N 0.00 4.35 -0.07 -0.67 -1.94 -1.25 -4.82 119.30 114.89 3aaw s MET 46 Ca 0.00 2.04 -0.01 0.00 -1.71 0.00 0.00 55.69 56.01 3aaw s MET 46 Cb 0.00 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.86 3aaw s MET 46 CO 0.00 -0.13 -0.02 0.08 -0.01 0.00 0.00 175.02 174.94 3aaw s VAL 47 N -1.21 0.51 -0.10 -6.03 1.01 -1.26 -1.54 120.40 111.77 3aaw s VAL 47 Ca 0.50 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3aaw s VAL 47 Cb -0.36 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3aaw s VAL 47 CO 0.47 0.27 -0.17 -0.76 0.00 0.00 0.00 175.10 174.90 3aaw s LEU 48 N 1.69 1.84 -0.11 3.92 1.02 -0.04 -4.99 118.68 122.01 3aaw s LEU 48 Ca 0.01 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 3aaw s LEU 48 Cb -0.13 -1.16 0.04 0.00 0.02 0.00 0.00 46.19 44.96 3aaw s LEU 48 CO -0.04 0.06 0.04 -1.58 0.02 0.00 0.00 176.35 174.84 3aaw s GLN 49 N 0.78 0.38 0.70 1.70 0.74 -1.26 -1.01 119.66 121.69 3aaw s GLN 49 Ca -0.11 0.00 -0.04 0.00 0.05 0.00 0.00 55.36 55.27 3aaw s GLN 49 Cb -0.16 -1.31 0.10 0.00 1.10 0.00 0.00 33.01 32.73 3aaw s GLN 49 CO 0.01 -0.46 0.99 1.21 -0.55 0.00 0.00 175.29 176.49 3aaw s ASN 50 N 2.02 4.55 0.61 6.67 3.84 -1.26 -5.05 114.94 126.32 3aaw s ASN 50 Ca 0.03 0.02 -0.19 0.00 0.21 0.00 0.00 52.86 52.94 3aaw s ASN 50 Cb -0.14 -0.56 -0.03 0.00 -0.55 0.00 0.00 41.25 39.98 3aaw s ASN 50 CO -0.06 -1.72 1.25 0.68 -2.79 0.00 0.00 177.10 174.45 3aaw s VAL 51 N -3.17 2.37 0.63 -5.21 -7.23 -1.26 -4.69 120.40 101.84 3aaw s VAL 51 Ca 0.63 0.23 -0.13 0.00 -1.81 0.00 0.00 61.98 60.90 3aaw s VAL 51 Cb -0.08 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 3aaw s VAL 51 CO 0.44 -0.05 1.05 -0.94 -0.31 0.00 0.00 175.10 175.29 3aaw s SER 52 N -1.49 5.77 0.32 4.85 1.04 -1.26 -4.86 113.70 118.07 3aaw s SER 52 Ca 0.79 1.63 -0.17 0.00 0.48 0.00 0.00 55.95 58.69 3aaw s SER 52 Cb -0.34 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.19 3aaw s SER 52 CO 0.36 -1.18 0.76 -0.94 0.98 0.00 0.00 173.24 173.23 3aaw s SER 53 N -3.50 6.84 0.18 7.02 1.04 -0.68 -4.89 113.70 119.70 3aaw s SER 53 Ca 0.59 1.36 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 3aaw s SER 53 Cb -0.14 -2.40 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3aaw s SER 53 CO 0.47 -0.19 1.55 0.58 0.98 0.00 0.00 173.24 176.63 3aaw h VAL 54 N 2.07 1.27 -0.50 5.02 2.07 -1.96 -0.09 116.25 124.14 3aaw h VAL 54 Ca -0.48 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 65.66 3aaw h VAL 54 Cb 1.18 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 3aaw h VAL 54 CO 0.65 0.49 0.17 -0.08 0.02 0.00 0.00 177.57 178.82 3aaw h GLU 55 N 0.74 0.34 0.00 1.57 4.81 -1.98 -3.34 114.58 116.72 3aaw h GLU 55 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3aaw h GLU 55 Cb 0.85 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3aaw h GLU 55 CO 0.08 0.22 -0.06 -0.40 -0.73 0.00 0.00 179.01 178.12 3aaw n ASP 56 N -5.01 0.68 -2.69 1.04 3.85 -1.24 -5.03 116.55 108.15 3aaw n ASP 56 Ca 0.05 -1.52 -0.21 0.00 -0.71 0.00 0.00 54.79 52.40 3aaw n ASP 56 Cb 0.20 -0.05 0.01 0.00 -1.35 0.00 0.00 41.12 39.93 3aaw n ASP 56 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3aaw n GLY 57 N -0.22 -0.51 3.39 6.12 0.00 -0.05 -4.95 105.19 108.98 3aaw n GLY 57 Ca 0.01 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3aaw n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3aaw s THR 58 N -3.08 1.76 0.05 2.61 -4.23 -1.26 -1.08 115.64 110.42 3aaw s THR 58 Ca 0.14 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3aaw s THR 58 Cb -0.06 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 3aaw s THR 58 CO 0.17 -0.44 0.05 1.07 -0.54 0.00 0.00 174.62 174.93 3aaw n THR 59 N -0.49 0.00 -4.34 3.99 5.66 0.25 -1.69 114.28 117.65 3aaw n THR 59 Ca -0.07 -0.35 -0.26 0.00 -3.05 0.00 0.00 64.05 60.33 3aaw n THR 59 Cb 0.62 0.18 -0.13 0.00 -1.55 0.00 0.00 70.33 69.45 3aaw n THR 59 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3aaw s ASP 60 N -1.36 2.78 -0.16 1.09 1.01 -1.26 -0.48 116.67 118.30 3aaw s ASP 60 Ca 0.06 -0.70 0.00 0.00 0.71 0.00 0.00 52.55 52.62 3aaw s ASP 60 Cb 0.00 -0.17 0.03 0.00 1.01 0.00 0.00 42.92 43.80 3aaw s ASP 60 CO 0.04 0.10 -0.09 -0.63 0.21 0.00 0.00 175.17 174.80 3aaw s ILE 61 N -1.11 1.33 -0.03 0.77 1.01 -0.42 -4.17 121.20 118.58 3aaw s ILE 61 Ca 0.09 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3aaw s ILE 61 Cb -0.10 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3aaw s ILE 61 CO 0.05 0.28 -0.02 -0.89 0.00 0.00 0.00 174.94 174.36 3aaw s THR 62 N 1.56 4.06 0.05 2.92 2.01 -0.18 -0.09 115.64 125.97 3aaw s THR 62 Ca 0.02 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 3aaw s THR 62 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 3aaw s THR 62 CO -0.09 0.48 0.01 0.72 -0.69 0.00 0.00 174.62 175.05 3aaw s PHE 63 N -0.97 0.41 0.10 4.92 -0.71 -0.18 -0.86 117.98 120.68 3aaw s PHE 63 Ca 0.16 -0.87 0.07 0.00 -1.04 0.00 0.00 56.93 55.25 3aaw s PHE 63 Cb -0.11 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 3aaw s PHE 63 CO 0.06 -0.37 -0.12 0.95 -1.34 0.00 0.00 175.22 174.41 3aaw s THR 64 N -3.41 3.25 0.21 -4.49 -4.23 -0.59 -1.12 115.64 105.26 3aaw s THR 64 Ca 0.02 -1.27 -0.15 0.00 -1.18 0.00 0.00 61.69 59.11 3aaw s THR 64 Cb 0.04 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.39 3aaw s THR 64 CO -0.08 0.14 0.48 0.00 -0.54 0.00 0.00 174.62 174.62 3aaw n PRO 66 N -0.34 2.35 -0.36 0.00 -0.02 -1.26 -0.84 135.00 134.52 3aaw n PRO 66 Ca -0.06 0.83 0.29 0.00 -2.02 0.00 0.00 63.50 62.54 3aaw n PRO 66 Cb 0.62 -2.50 0.60 0.00 -0.02 0.00 0.00 33.50 32.20 3aaw n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3aaw h ARG 67 N 3.53 0.22 0.00 -0.52 3.08 -1.58 0.51 114.38 119.63 3aaw h ARG 67 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3aaw h ARG 67 Cb 1.26 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3aaw h ARG 67 CO 0.70 0.15 0.00 -1.13 -1.07 0.00 0.00 179.97 178.61 3aaw n SER 68 N -4.52 0.71 -0.50 7.04 3.41 -1.26 -2.66 113.62 115.84 3aaw n SER 68 Ca 0.28 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.63 3aaw n SER 68 Cb 1.11 -0.81 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3aaw n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3aaw n ASP 69 N -2.26 1.98 0.47 4.04 8.00 0.16 -4.79 116.55 124.14 3aaw n ASP 69 Ca 0.03 -1.49 -0.19 0.00 0.71 0.00 0.00 54.79 53.85 3aaw n ASP 69 Cb 0.27 0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.51 3aaw n ASP 69 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3aaw h GLY 70 N 3.28 -1.31 0.63 0.44 0.00 -1.39 -1.35 103.07 103.36 3aaw h GLY 70 Ca 0.00 0.50 0.06 0.00 0.00 0.00 0.00 47.33 47.89 3aaw h GLY 70 CO 0.00 -0.46 0.25 3.21 0.00 0.00 0.00 176.54 179.54 3aaw h ARG 71 N -1.22 0.47 -0.95 4.80 2.47 -1.87 0.24 114.38 118.32 3aaw h ARG 71 Ca -0.12 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.60 3aaw h ARG 71 Cb 0.95 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 29.11 3aaw h ARG 71 CO 0.17 0.31 0.62 -0.09 0.56 0.00 0.00 179.97 181.54 3aaw h ARG 72 N 0.48 1.18 -0.30 0.04 2.43 -1.87 0.14 114.38 116.49 3aaw h ARG 72 Ca 0.25 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3aaw h ARG 72 Cb 0.20 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3aaw h ARG 72 CO -0.20 0.78 0.11 0.00 -1.51 0.00 0.00 179.97 179.15 3aaw h ALA 73 N 1.38 0.39 0.00 2.80 0.00 -0.33 -0.24 119.26 123.26 3aaw h ALA 73 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3aaw h ALA 73 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3aaw h ALA 73 CO -0.11 -0.01 0.00 1.98 0.00 0.00 0.00 179.25 181.11 3aaw h MET 74 N 0.33 0.00 0.01 0.00 1.85 -0.20 -2.01 114.93 114.91 3aaw h MET 74 Ca 0.10 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.90 3aaw h MET 74 Cb 0.19 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.18 3aaw h MET 74 CO -0.01 0.00 -1.69 0.93 -0.40 0.00 0.00 176.91 175.74 3aaw h GLU 75 N 0.00 0.01 -0.45 0.39 5.08 -0.51 -3.21 114.58 115.90 3aaw h GLU 75 Ca 0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3aaw h GLU 75 Cb 0.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3aaw h GLU 75 CO 0.00 0.55 0.03 0.82 -1.00 0.00 0.00 179.01 179.40 3aaw h ILE 76 N 0.00 1.22 0.00 3.13 1.08 -0.40 -3.18 117.51 119.37 3aaw h ILE 76 Ca -0.28 -0.89 -0.13 0.00 -0.39 0.00 0.00 64.86 63.17 3aaw h ILE 76 Cb 2.01 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.59 3aaw h ILE 76 CO 0.08 0.32 -0.63 -0.07 -0.69 0.00 0.00 178.15 177.16 3aaw h LEU 77 N 0.67 0.00 -1.87 1.44 3.38 -1.49 -3.26 115.31 114.17 3aaw h LEU 77 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3aaw h LEU 77 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3aaw h LEU 77 CO 0.01 0.63 -0.08 0.50 0.09 0.00 0.00 178.44 179.59 3aaw h LYS 78 N 0.00 0.00 0.00 1.13 1.63 -1.55 0.10 116.57 117.89 3aaw h LYS 78 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3aaw h LYS 78 Cb 1.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 3aaw h LYS 78 CO 0.08 0.08 0.00 0.36 -3.45 0.00 0.00 179.45 176.53 3aaw n LYS 79 N -4.36 0.60 0.00 1.90 2.85 -1.23 -2.22 118.16 115.70 3aaw n LYS 79 Ca -0.03 0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.28 3aaw n LYS 79 Cb 0.16 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.05 3aaw n LYS 79 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3aaw n LEU 80 N -1.02 1.28 -0.04 -5.58 4.32 0.35 -4.80 117.00 111.51 3aaw n LEU 80 Ca 0.15 -0.83 -0.10 0.00 -0.02 0.00 0.00 56.01 55.20 3aaw n LEU 80 Cb 0.08 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 3aaw n LEU 80 CO 0.12 0.26 0.92 -0.61 -1.22 0.00 0.00 177.39 176.85 3aaw h GLN 81 N 1.16 0.24 0.07 3.23 4.15 -1.35 -2.27 115.11 120.34 3aaw h GLN 81 Ca 0.00 -0.02 -0.24 0.00 0.77 0.00 0.00 58.65 59.16 3aaw h GLN 81 Cb 0.31 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 27.97 3aaw h GLN 81 CO 0.00 0.20 -0.98 0.28 -1.93 0.00 0.00 178.83 176.40 3aaw h VAL 82 N 0.21 1.35 -0.39 2.39 2.07 -1.87 -1.66 116.25 118.36 3aaw h VAL 82 Ca 0.06 -2.33 0.08 0.00 0.82 0.00 0.00 66.70 65.33 3aaw h VAL 82 Cb 0.02 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 32.40 3aaw h VAL 82 CO -0.01 0.70 -0.22 1.56 0.02 0.00 0.00 177.57 179.62 3aaw h GLN 83 N 0.10 -0.14 -0.02 1.57 4.20 -1.87 -2.23 115.11 116.72 3aaw h GLN 83 Ca -0.14 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3aaw h GLN 83 Cb 1.68 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.50 3aaw h GLN 83 CO 0.19 -0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 3aaw n GLY 84 N -1.38 -0.55 2.88 3.46 0.00 -0.86 -4.92 105.19 103.82 3aaw n GLY 84 Ca 0.02 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 3aaw n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3aaw n ASN 85 N -0.46 -5.45 -4.75 1.61 4.13 -0.84 -4.44 115.26 105.06 3aaw n ASN 85 Ca 0.20 -0.19 -0.31 0.00 1.68 0.00 0.00 54.58 55.96 3aaw n ASN 85 Cb 0.21 -4.46 0.09 0.00 -1.54 0.00 0.00 39.78 34.08 3aaw n ASN 85 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3aaw s TRP 86 N -3.05 2.44 -0.06 3.10 0.51 -0.67 -4.85 118.94 116.37 3aaw s TRP 86 Ca 0.22 1.59 -0.20 0.00 -2.12 0.00 0.00 56.10 55.59 3aaw s TRP 86 Cb -0.10 -3.12 -0.31 0.00 -0.81 0.00 0.00 33.47 29.14 3aaw s TRP 86 CO 0.27 -1.94 0.80 1.15 -0.51 0.00 0.00 176.95 176.73 3aaw h THR 87 N -1.03 1.36 -1.59 2.01 2.02 -0.32 -3.46 112.91 111.91 3aaw h THR 87 Ca -0.44 -2.51 0.29 0.00 0.77 0.00 0.00 66.41 64.52 3aaw h THR 87 Cb 1.24 3.05 -0.13 0.00 -1.74 0.00 0.00 68.15 70.57 3aaw h THR 87 CO 0.50 0.72 0.77 0.21 0.37 0.00 0.00 175.52 178.10 3aaw s ASN 88 N -7.04 -0.09 -0.25 4.18 2.47 -1.20 -5.02 114.94 107.99 3aaw s ASN 88 Ca -0.15 -0.14 0.02 0.00 0.42 0.00 0.00 52.86 53.00 3aaw s ASN 88 Cb 0.02 0.21 0.05 0.00 -1.45 0.00 0.00 41.25 40.08 3aaw s ASN 88 CO 0.82 -0.37 -0.11 -0.69 -3.72 0.00 0.00 177.10 173.03 3aaw s VAL 89 N -2.55 2.32 0.54 -5.21 1.01 -1.26 -0.45 120.40 114.79 3aaw s VAL 89 Ca 0.13 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 3aaw s VAL 89 Cb 0.03 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3aaw s VAL 89 CO -0.03 0.07 0.95 -0.76 0.00 0.00 0.00 175.10 175.32 3aaw s LEU 90 N 1.17 3.48 0.02 3.92 1.43 -0.12 -4.92 118.68 123.66 3aaw s LEU 90 Ca -0.06 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 3aaw s LEU 90 Cb -0.19 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 3aaw s LEU 90 CO -0.06 -0.69 -0.05 -0.47 0.23 0.00 0.00 176.35 175.32 3aaw s TYR 91 N -2.86 0.42 -0.30 0.29 5.04 -1.26 -2.33 117.35 116.35 3aaw s TYR 91 Ca 0.54 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.75 3aaw s TYR 91 Cb -0.10 -0.26 0.19 0.00 0.35 0.00 0.00 41.96 42.13 3aaw s TYR 91 CO 0.43 -0.11 0.66 0.34 -1.34 0.00 0.00 175.55 175.54 3aaw s ASP 92 N -1.19 -1.30 -0.30 4.32 2.15 -0.91 -5.03 116.67 114.41 3aaw s ASP 92 Ca -0.10 0.70 0.10 0.00 0.43 0.00 0.00 52.55 53.69 3aaw s ASP 92 Cb -0.08 2.05 0.60 0.00 -0.30 0.00 0.00 42.92 45.19 3aaw s ASP 92 CO -0.00 -0.24 1.62 -0.90 -0.17 0.00 0.00 175.17 175.48 3aaw n ASP 93 N 5.43 3.60 -0.18 -0.34 5.68 -1.26 -1.11 116.55 128.36 3aaw n ASP 93 Ca -0.01 -3.45 0.08 0.00 -0.50 0.00 0.00 54.79 50.92 3aaw n ASP 93 Cb 0.52 -0.68 0.12 0.00 -1.14 0.00 0.00 41.12 39.94 3aaw n ASP 93 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3aaw n GLN 94 N -0.75 1.09 -2.97 0.11 6.02 -1.26 -4.87 117.38 114.74 3aaw n GLN 94 Ca 0.37 -2.38 -0.40 0.00 -0.01 0.00 0.00 57.00 54.58 3aaw n GLN 94 Cb 1.21 -1.34 -0.05 0.00 1.02 0.00 0.00 30.24 31.08 3aaw n GLN 94 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3aaw s VAL 95 N -2.44 4.72 0.18 5.09 0.11 -1.26 -1.87 120.40 124.93 3aaw s VAL 95 Ca 0.28 1.65 0.06 0.00 -2.93 0.00 0.00 61.98 61.03 3aaw s VAL 95 Cb 0.24 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 3aaw s VAL 95 CO 0.02 0.36 0.11 -0.83 -3.33 0.00 0.00 175.10 171.43 3aaw s GLY 96 N -0.06 1.68 -0.12 6.54 0.00 0.23 -4.62 107.32 110.98 3aaw s GLY 96 Ca 0.39 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3aaw s GLY 96 CO 0.23 -1.29 -0.14 1.25 0.00 0.00 0.00 173.10 173.15 3aaw s LYS 97 N -3.16 2.17 -0.10 2.90 2.20 -0.16 -0.33 119.74 123.26 3aaw s LYS 97 Ca 0.30 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 3aaw s LYS 97 Cb -0.10 -1.93 -0.01 0.00 -1.51 0.00 0.00 37.83 34.29 3aaw s LYS 97 CO 0.22 -0.15 -0.22 0.54 -0.36 0.00 0.00 175.35 175.38 3aaw s VAL 98 N 1.25 2.27 0.12 4.02 0.11 -0.86 -0.87 120.40 126.44 3aaw s VAL 98 Ca -0.01 -0.95 0.10 0.00 -2.93 0.00 0.00 61.98 58.18 3aaw s VAL 98 Cb -0.14 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 3aaw s VAL 98 CO -0.06 0.56 -0.24 -0.44 -3.33 0.00 0.00 175.10 171.59 3aaw s SER 99 N 0.22 3.00 -0.26 3.54 0.01 -0.10 -1.65 113.70 118.45 3aaw s SER 99 Ca -0.14 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.29 3aaw s SER 99 Cb -0.17 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 3aaw s SER 99 CO 0.07 0.12 0.14 -0.22 0.41 0.00 0.00 173.24 173.76 3aaw s LEU 100 N -2.05 3.77 -0.11 2.44 2.96 -0.47 -1.48 118.68 123.74 3aaw s LEU 100 Ca 0.11 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3aaw s LEU 100 Cb -0.10 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3aaw s LEU 100 CO 0.06 -0.03 0.20 -0.69 -1.32 0.00 0.00 176.35 174.56 3aaw s VAL 101 N 1.64 5.39 0.00 1.68 1.01 0.17 -1.31 120.40 128.98 3aaw s VAL 101 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3aaw s VAL 101 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3aaw s VAL 101 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3aaw n GLY 102 N 2.28 1.63 3.63 4.51 0.00 -0.93 -0.85 105.19 115.47 3aaw n GLY 102 Ca -0.18 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 3aaw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aaw s ALA 103 N -1.00 -1.85 0.00 4.61 0.00 -0.31 -4.43 121.76 118.79 3aaw s ALA 103 Ca 0.00 2.32 0.00 0.00 0.00 0.00 0.00 51.96 54.28 3aaw s ALA 103 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3aaw s ALA 103 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3aaw n GLY 104 N 3.89 0.63 0.02 0.00 0.00 -0.77 -1.28 105.19 107.69 3aaw n GLY 104 Ca -0.18 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.21 3aaw n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3aaw n MET 105 N -1.37 0.04 -0.33 1.61 2.00 -0.97 -3.64 117.12 114.47 3aaw n MET 105 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 57.70 57.72 3aaw n MET 105 Cb 0.33 -1.55 0.12 0.00 0.00 0.00 0.00 33.22 32.12 3aaw n MET 105 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3aaw h LYS 106 N 0.00 1.09 0.00 0.03 3.64 -1.88 -2.32 116.57 117.14 3aaw h LYS 106 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3aaw h LYS 106 Cb 0.54 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3aaw h LYS 106 CO 0.00 0.72 0.00 -1.13 -2.27 0.00 0.00 179.45 176.77 3aaw n SER 107 N -4.52 0.00 -3.33 4.20 3.41 -1.24 -4.06 113.62 108.09 3aaw n SER 107 Ca 0.11 -1.21 -0.25 0.00 -0.26 0.00 0.00 58.87 57.25 3aaw n SER 107 Cb 0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 3aaw n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3aaw n HIS 108 N -0.80 0.49 0.29 7.33 8.25 -0.87 -4.96 115.22 124.95 3aaw n HIS 108 Ca 0.12 -3.67 0.18 0.00 -0.26 0.00 0.00 57.72 54.10 3aaw n HIS 108 Cb 0.06 -0.27 0.97 0.00 1.12 0.00 0.00 29.99 31.86 3aaw n HIS 108 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3aaw h PRO 109 N 4.48 0.00 -0.84 -0.41 0.13 -1.73 -0.23 132.00 133.41 3aaw h PRO 109 Ca 0.14 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.46 3aaw h PRO 109 Cb 0.84 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.91 3aaw h PRO 109 CO 0.53 0.00 0.56 0.78 -0.23 0.00 0.00 178.00 179.64 3aaw h GLY 110 N 0.00 0.76 0.84 1.56 0.00 -1.93 -1.20 103.07 103.11 3aaw h GLY 110 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3aaw h GLY 110 CO -0.00 0.02 -0.16 -2.08 0.00 0.00 0.00 176.54 174.32 3aaw h VAL 111 N 0.39 0.68 -0.35 4.60 2.07 -1.37 0.24 116.25 122.51 3aaw h VAL 111 Ca 0.43 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.71 3aaw h VAL 111 Cb 1.07 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3aaw h VAL 111 CO -0.15 0.06 0.01 0.74 0.02 0.00 0.00 177.57 178.26 3aaw h THR 112 N -0.62 0.76 -0.51 2.57 2.02 -1.62 0.20 112.91 115.71 3aaw h THR 112 Ca -0.05 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.14 3aaw h THR 112 Cb 0.45 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3aaw h THR 112 CO 0.08 0.02 0.24 0.00 0.37 0.00 0.00 175.52 176.23 3aaw h ALA 113 N 1.29 0.64 0.00 6.16 0.00 -1.07 -2.06 119.26 124.23 3aaw h ALA 113 Ca 0.17 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3aaw h ALA 113 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3aaw h ALA 113 CO -0.27 -0.12 -0.47 0.93 0.00 0.00 0.00 179.25 179.32 3aaw h GLU 114 N 0.47 0.00 0.17 0.00 5.08 0.05 -0.96 114.58 119.38 3aaw h GLU 114 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3aaw h GLU 114 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3aaw h GLU 114 CO -0.18 0.47 -0.08 0.35 -1.00 0.00 0.00 179.01 178.57 3aaw h PHE 115 N 0.00 -0.21 -0.39 4.33 3.57 0.06 -0.49 116.94 123.82 3aaw h PHE 115 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3aaw h PHE 115 Cb 0.84 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3aaw h PHE 115 CO 0.00 -0.13 0.13 0.52 -2.23 0.00 0.00 178.31 176.60 3aaw h MET 116 N -0.23 0.59 -0.82 1.11 2.86 -1.22 -3.00 114.93 114.23 3aaw h MET 116 Ca -0.02 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3aaw h MET 116 Cb 0.18 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3aaw h MET 116 CO 0.04 0.59 0.53 0.93 1.06 0.00 0.00 176.91 180.06 3aaw h GLU 117 N 0.48 1.08 -0.29 1.72 5.08 -1.02 -1.30 114.58 120.33 3aaw h GLU 117 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3aaw h GLU 117 Cb 0.24 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3aaw h GLU 117 CO -0.01 0.72 0.16 0.00 -1.00 0.00 0.00 179.01 178.89 3aaw h ALA 118 N 1.48 0.37 -0.49 3.43 0.00 -0.96 -1.87 119.26 121.22 3aaw h ALA 118 Ca 0.30 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3aaw h ALA 118 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3aaw h ALA 118 CO -0.06 -0.10 -0.09 -0.07 0.00 0.00 0.00 179.25 178.93 3aaw h LEU 119 N 0.35 0.87 -0.20 0.00 4.07 -1.36 -2.63 115.31 116.41 3aaw h LEU 119 Ca 0.10 -0.26 0.05 0.00 0.08 0.00 0.00 57.88 57.85 3aaw h LEU 119 Cb 0.07 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.52 3aaw h LEU 119 CO -0.02 0.98 -0.15 -0.09 -1.08 0.00 0.00 178.44 178.09 3aaw h ARG 120 N 0.80 -0.14 0.00 1.13 2.43 -1.08 -0.28 114.38 117.23 3aaw h ARG 120 Ca 0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3aaw h ARG 120 Cb 0.60 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3aaw h ARG 120 CO 0.04 -0.09 0.00 -0.44 -1.51 0.00 0.00 179.97 177.96 3aaw h ASP 121 N -0.15 0.00 -0.40 -3.80 3.32 -0.98 0.11 116.42 114.52 3aaw h ASP 121 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3aaw h ASP 121 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3aaw h ASP 121 CO -0.30 0.00 0.02 0.55 -1.72 0.00 0.00 179.24 177.79 3aaw n VAL 122 N -2.77 2.52 -3.97 -1.35 3.14 -1.07 -4.99 118.33 109.84 3aaw n VAL 122 Ca 0.00 -1.73 -0.31 0.00 -2.96 0.00 0.00 64.34 59.34 3aaw n VAL 122 Cb 0.21 -0.27 0.02 0.00 -1.06 0.00 0.00 33.84 32.73 3aaw n VAL 122 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3aaw n ASN 123 N -0.11 -4.55 -4.63 6.55 5.15 0.39 -4.98 115.26 113.07 3aaw n ASN 123 Ca 0.25 -0.82 -0.36 0.00 -0.60 0.00 0.00 54.58 53.06 3aaw n ASN 123 Cb 1.04 -3.68 -0.10 0.00 -0.53 0.00 0.00 39.78 36.52 3aaw n ASN 123 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3aaw s VAL 124 N -3.30 5.01 -0.12 3.44 1.01 -0.15 -5.03 120.40 121.26 3aaw s VAL 124 Ca 0.68 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.48 3aaw s VAL 124 Cb -0.35 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3aaw s VAL 124 CO 0.85 0.40 0.73 0.21 0.00 0.00 0.00 175.10 177.29 3aaw s ASN 125 N 0.78 6.93 -0.29 3.32 2.47 -1.26 -4.31 114.94 122.58 3aaw s ASN 125 Ca 0.06 1.12 -0.24 0.00 0.42 0.00 0.00 52.86 54.22 3aaw s ASN 125 Cb -0.13 -2.41 -0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3aaw s ASN 125 CO 0.02 -0.23 0.81 -0.63 -3.72 0.00 0.00 177.10 173.35 3aaw s ILE 126 N 1.39 4.80 -0.21 -5.21 1.01 -1.26 -4.68 121.20 117.04 3aaw s ILE 126 Ca 0.36 1.32 -0.14 0.00 0.00 0.00 0.00 60.65 62.19 3aaw s ILE 126 Cb -0.17 -4.14 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 3aaw s ILE 126 CO 0.15 -0.20 0.06 -0.62 0.00 0.00 0.00 174.94 174.33 3aaw n GLU 127 N 6.15 0.62 -4.27 2.79 1.02 -0.89 -4.97 120.64 121.09 3aaw n GLU 127 Ca 0.04 0.39 -0.18 0.00 -0.02 0.00 0.00 57.16 57.39 3aaw n GLU 127 Cb 0.48 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 3aaw n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3aaw s LEU 128 N -7.48 2.44 -0.02 -4.62 1.02 -1.05 -4.97 118.68 104.00 3aaw s LEU 128 Ca -0.31 -0.86 0.01 0.00 0.02 0.00 0.00 54.13 52.99 3aaw s LEU 128 Cb 0.09 -0.60 0.01 0.00 0.02 0.00 0.00 46.19 45.71 3aaw s LEU 128 CO 0.60 -0.14 -0.03 -0.63 0.02 0.00 0.00 176.35 176.17 3aaw s ILE 129 N -2.33 0.33 -0.18 -0.59 1.01 -1.26 -1.69 121.20 116.48 3aaw s ILE 129 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 3aaw s ILE 129 Cb -0.04 -0.33 0.09 0.00 0.01 0.00 0.00 42.46 42.19 3aaw s ILE 129 CO 0.04 0.13 0.26 -0.55 0.00 0.00 0.00 174.94 174.82 3aaw s SER 130 N 0.41 0.87 0.25 3.58 0.15 0.05 -5.00 113.70 114.01 3aaw s SER 130 Ca -0.04 0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.79 3aaw s SER 130 Cb -0.08 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 3aaw s SER 130 CO -0.01 -0.29 -0.11 0.42 1.20 0.00 0.00 173.24 174.45 3aaw s THR 131 N 2.39 1.81 0.34 6.45 -4.23 -1.26 -0.87 115.64 120.27 3aaw s THR 131 Ca 0.06 -2.20 -0.05 0.00 -1.18 0.00 0.00 61.69 58.32 3aaw s THR 131 Cb -0.14 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.43 3aaw s THR 131 CO -0.11 -0.43 0.51 -0.94 -0.54 0.00 0.00 174.62 173.11 3aaw s SER 132 N -3.41 0.69 0.62 3.99 1.04 0.71 -4.98 113.70 112.37 3aaw s SER 132 Ca 0.27 -1.39 0.34 0.00 0.48 0.00 0.00 55.95 55.65 3aaw s SER 132 Cb 0.01 0.68 1.94 0.00 0.10 0.00 0.00 66.02 68.75 3aaw s SER 132 CO 0.10 -1.33 2.23 -0.08 0.98 0.00 0.00 173.24 175.14 3aaw h GLU 133 N 2.11 0.00 0.00 4.02 4.57 -1.97 -3.06 114.58 120.25 3aaw h GLU 133 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3aaw h GLU 133 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3aaw h GLU 133 CO 0.39 0.00 0.00 0.44 -1.18 0.00 0.00 179.01 178.66 3aaw n ILE 134 N -3.58 0.28 -3.64 2.32 -0.00 -1.26 -1.84 119.36 111.64 3aaw n ILE 134 Ca -0.02 -0.62 -0.05 0.00 -0.00 0.00 0.00 62.75 62.06 3aaw n ILE 134 Cb 0.15 0.88 -0.06 0.00 -0.00 0.00 0.00 39.64 40.62 3aaw n ILE 134 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3aaw s ARG 135 N -0.28 0.65 -0.49 6.28 3.52 -1.16 -2.18 118.95 125.30 3aaw s ARG 135 Ca 0.00 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.75 3aaw s ARG 135 Cb 0.00 0.36 0.12 0.00 -1.56 0.00 0.00 34.95 33.86 3aaw s ARG 135 CO 0.00 -0.16 0.39 0.42 -0.81 0.00 0.00 175.30 175.14 3aaw s ILE 136 N 2.00 4.56 -0.10 4.11 1.01 -0.43 -0.20 121.20 132.16 3aaw s ILE 136 Ca -0.09 -1.66 -0.03 0.00 0.00 0.00 0.00 60.65 58.88 3aaw s ILE 136 Cb -0.07 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3aaw s ILE 136 CO -0.19 -0.79 0.02 -0.44 0.00 0.00 0.00 174.94 173.54 3aaw s SER 137 N 2.95 5.37 0.07 3.58 0.01 -0.05 -1.37 113.70 124.27 3aaw s SER 137 Ca 0.05 0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.51 3aaw s SER 137 Cb -0.27 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 3aaw s SER 137 CO 0.01 0.36 -0.12 0.68 0.41 0.00 0.00 173.24 174.58 3aaw s VAL 138 N -0.77 0.95 -0.16 3.43 -7.23 -0.66 -0.77 120.40 115.18 3aaw s VAL 138 Ca 0.12 -1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 3aaw s VAL 138 Cb -0.12 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 3aaw s VAL 138 CO 0.02 -0.36 0.00 -0.76 -0.31 0.00 0.00 175.10 173.69 3aaw s LEU 139 N -1.94 3.49 0.31 1.32 1.43 -0.68 -2.03 118.68 120.59 3aaw s LEU 139 Ca -0.01 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 3aaw s LEU 139 Cb -0.08 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3aaw s LEU 139 CO 0.01 0.20 0.26 0.27 0.23 0.00 0.00 176.35 177.32 3aaw s ILE 140 N 0.20 0.00 0.25 -0.59 -4.36 0.55 -2.10 121.20 115.15 3aaw s ILE 140 Ca 0.01 -1.99 -0.31 0.00 -0.26 0.00 0.00 60.65 58.09 3aaw s ILE 140 Cb -0.13 -2.50 -0.11 0.00 1.25 0.00 0.00 42.46 40.96 3aaw s ILE 140 CO 0.02 0.00 1.64 -0.13 0.24 0.00 0.00 174.94 176.71 3aaw s ARG 141 N -3.54 4.13 0.52 0.37 1.81 -1.26 0.78 118.95 121.77 3aaw s ARG 141 Ca 0.40 2.57 0.25 0.00 -1.72 0.00 0.00 55.73 57.23 3aaw s ARG 141 Cb 0.03 -3.06 1.37 0.00 -0.45 0.00 0.00 34.95 32.84 3aaw s ARG 141 CO 0.25 -0.68 1.98 1.05 -0.68 0.00 0.00 175.30 177.23 3aaw h GLU 142 N 5.85 0.04 0.00 3.54 4.11 -1.64 -0.73 114.58 125.75 3aaw h GLU 142 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3aaw h GLU 142 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3aaw h GLU 142 CO 0.87 0.03 0.00 -0.44 0.07 0.00 0.00 179.01 179.54 3aaw h ASP 143 N 0.04 0.00 0.19 3.06 3.45 -1.90 -2.77 116.42 118.48 3aaw h ASP 143 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3aaw h ASP 143 Cb 1.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 3aaw h ASP 143 CO -0.01 0.00 -0.24 0.47 -1.57 0.00 0.00 179.24 177.89 3aaw n ASP 144 N -2.65 1.16 0.10 6.45 8.00 -0.28 -4.51 116.55 124.82 3aaw n ASP 144 Ca 0.01 -1.01 -0.16 0.00 0.71 0.00 0.00 54.79 54.33 3aaw n ASP 144 Cb 0.26 0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.40 3aaw n ASP 144 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3aaw h LEU 145 N 1.46 -1.62 -0.35 0.64 4.07 -1.56 -0.64 115.31 117.30 3aaw h LEU 145 Ca 0.00 0.17 0.08 0.00 0.08 0.00 0.00 57.88 58.21 3aaw h LEU 145 Cb 0.53 0.60 -0.09 0.00 1.08 0.00 0.00 40.66 42.78 3aaw h LEU 145 CO 0.00 -0.56 -0.30 0.44 -1.08 0.00 0.00 178.44 176.95 3aaw h ASP 146 N -0.74 -0.98 -0.72 -0.43 3.32 -1.82 0.17 116.42 115.21 3aaw h ASP 146 Ca -0.00 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3aaw h ASP 146 Cb 0.76 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3aaw h ASP 146 CO -0.30 -0.31 0.33 0.00 -1.72 0.00 0.00 179.24 177.24 3aaw h ALA 147 N 0.78 0.93 0.46 3.45 0.00 -1.82 -0.15 119.26 122.91 3aaw h ALA 147 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3aaw h ALA 147 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3aaw h ALA 147 CO -0.50 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.04 3aaw h ALA 148 N 1.16 -0.61 -0.59 0.00 0.00 -0.40 0.10 119.26 118.92 3aaw h ALA 148 Ca 0.25 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3aaw h ALA 148 Cb 0.14 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 3aaw h ALA 148 CO -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 179.25 178.42 3aaw h ALA 149 N -0.33 0.52 -0.50 0.00 0.00 -0.57 0.04 119.26 118.42 3aaw h ALA 149 Ca -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3aaw h ALA 149 Cb 0.55 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3aaw h ALA 149 CO 0.10 -0.41 0.20 -0.09 0.00 0.00 0.00 179.25 179.06 3aaw h ARG 150 N 0.08 0.75 -0.53 0.00 2.43 -0.87 -0.86 114.38 115.38 3aaw h ARG 150 Ca 0.30 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3aaw h ARG 150 Cb 0.48 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3aaw h ARG 150 CO -0.53 0.67 0.19 0.00 -1.51 0.00 0.00 179.97 178.79 3aaw h ALA 151 N 1.05 1.35 -0.12 2.80 0.00 0.08 -2.37 119.26 122.05 3aaw h ALA 151 Ca 0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3aaw h ALA 151 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3aaw h ALA 151 CO -0.01 0.48 -0.16 -0.07 0.00 0.00 0.00 179.25 179.49 3aaw h LEU 152 N 0.76 0.34 -0.41 0.00 3.38 -0.69 -2.19 115.31 116.50 3aaw h LEU 152 Ca 0.18 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.72 3aaw h LEU 152 Cb 0.18 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 3aaw h LEU 152 CO -0.01 0.79 -0.17 0.45 0.09 0.00 0.00 178.44 179.58 3aaw h HIS 153 N -0.10 -0.41 0.51 1.13 3.86 -0.97 -1.17 115.15 118.00 3aaw h HIS 153 Ca 0.01 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3aaw h HIS 153 Cb 0.71 0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.42 3aaw h HIS 153 CO 0.10 -0.25 -0.27 0.93 0.86 0.00 0.00 177.93 179.29 3aaw h GLU 154 N -0.08 -0.69 -0.46 2.45 4.39 -1.47 0.27 114.58 118.98 3aaw h GLU 154 Ca 0.20 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.03 3aaw h GLU 154 Cb 0.39 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.13 3aaw h GLU 154 CO -0.47 -0.46 0.06 0.37 -1.16 0.00 0.00 179.01 177.35 3aaw h GLN 155 N -0.72 0.18 -0.03 2.33 5.75 -1.08 -2.75 115.11 118.79 3aaw h GLN 155 Ca -0.06 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3aaw h GLN 155 Cb 0.57 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.08 3aaw h GLN 155 CO 0.09 0.12 -0.04 1.19 -2.65 0.00 0.00 178.83 177.54 3aaw n PHE 156 N -5.14 0.00 -3.32 3.99 3.01 -0.47 -4.98 117.46 110.55 3aaw n PHE 156 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 3aaw n PHE 156 Cb 0.23 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.76 3aaw n PHE 156 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3aaw n GLN 157 N 1.21 -6.28 -3.07 -1.08 6.02 0.87 -5.03 117.38 110.03 3aaw n GLN 157 Ca 0.14 0.74 -0.20 0.00 -0.01 0.00 0.00 57.00 57.68 3aaw n GLN 157 Cb 0.58 -5.45 0.05 0.00 1.02 0.00 0.00 30.24 26.45 3aaw n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3aaw s LEU 158 N -6.35 3.15 0.00 1.08 2.01 -0.80 -5.03 118.68 112.74 3aaw s LEU 158 Ca 0.45 -0.81 0.00 0.00 0.01 0.00 0.00 54.13 53.77 3aaw s LEU 158 Cb -0.20 -1.74 0.00 0.00 0.01 0.00 0.00 46.19 44.27 3aaw s LEU 158 CO 0.56 -1.26 0.00 0.61 1.01 0.00 0.00 176.35 177.26