#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbe n LYS 2 N 0.00 2.28 -1.99 0.00 4.81 -1.26 -4.83 118.16 117.17 1qbe n LYS 2 Ca 0.00 0.83 -0.34 0.00 -0.87 0.00 0.00 58.31 57.93 1qbe n LYS 2 Cb 0.00 -2.68 -0.04 0.00 0.02 0.00 0.00 35.03 32.33 1qbe n LYS 2 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1qbe s LEU 3 N 3.62 3.24 0.00 3.14 2.96 -1.26 -4.93 118.68 125.46 1qbe s LEU 3 Ca 0.90 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1qbe s LEU 3 Cb -0.65 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1qbe s LEU 3 CO 0.48 -2.58 0.09 -0.62 -1.32 0.00 0.00 176.35 172.40 1qbe n GLU 4 N 9.06 1.29 -2.66 1.98 1.02 -1.26 -4.78 120.64 125.29 1qbe n GLU 4 Ca 0.29 -1.59 -0.40 0.00 -0.02 0.00 0.00 57.16 55.44 1qbe n GLU 4 Cb 0.50 0.31 -0.05 0.00 -0.02 0.00 0.00 31.44 32.17 1qbe n GLU 4 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qbe s THR 5 N -1.52 3.90 -0.17 2.62 -4.23 -1.26 -3.78 115.64 111.21 1qbe s THR 5 Ca 0.07 1.84 0.01 0.00 -1.18 0.00 0.00 61.69 62.43 1qbe s THR 5 Cb -0.01 -4.15 0.03 0.00 1.34 0.00 0.00 72.50 69.71 1qbe s THR 5 CO 0.04 0.39 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.67 1qbe s VAL 6 N -1.25 1.74 -0.30 2.29 1.01 0.62 -4.95 120.40 119.55 1qbe s VAL 6 Ca 0.44 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1qbe s VAL 6 Cb -0.27 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1qbe s VAL 6 CO 0.33 0.41 0.18 0.42 0.00 0.00 0.00 175.10 176.45 1qbe s THR 7 N 1.40 5.02 -0.22 3.92 -4.23 -1.26 0.07 115.64 120.34 1qbe s THR 7 Ca 0.03 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1qbe s THR 7 Cb -0.14 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 1qbe s THR 7 CO -0.11 0.16 0.17 -0.76 -0.54 0.00 0.00 174.62 173.54 1qbe s LEU 8 N 1.70 4.15 0.35 4.79 1.02 0.13 -4.96 118.68 125.87 1qbe s LEU 8 Ca 0.06 0.18 0.09 0.00 0.02 0.00 0.00 54.13 54.48 1qbe s LEU 8 Cb -0.16 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.86 1qbe s LEU 8 CO 0.09 0.10 0.05 -0.83 0.02 0.00 0.00 176.35 175.78 1qbe s GLY 9 N 0.81 2.08 -1.37 -3.19 0.00 -1.26 -0.42 107.32 103.97 1qbe s GLY 9 Ca 0.09 -1.96 -0.01 0.00 0.00 0.00 0.00 44.72 42.83 1qbe s GLY 9 CO 0.03 -1.88 0.61 0.70 0.00 0.00 0.00 173.10 172.55 1qbe n ASN 10 N -1.02 -1.11 -4.93 1.64 5.03 0.20 -4.93 115.26 110.14 1qbe n ASN 10 Ca -0.04 -0.89 -0.23 0.00 0.87 0.00 0.00 54.58 54.29 1qbe n ASN 10 Cb 0.62 -3.63 0.00 0.00 -1.02 0.00 0.00 39.78 35.76 1qbe n ASN 10 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qbe s ILE 11 N -3.75 2.08 0.00 2.41 1.01 0.07 -4.59 121.20 118.44 1qbe s ILE 11 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1qbe s ILE 11 Cb -0.03 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1qbe s ILE 11 CO 0.85 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.40 1qbe n GLY 12 N -1.83 -0.26 0.21 6.18 0.00 -1.26 -1.18 105.19 107.04 1qbe n GLY 12 Ca 0.04 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 1qbe n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qbe h LYS 13 N 0.00 0.14 0.00 1.61 3.64 -2.01 0.43 116.57 120.38 1qbe h LYS 13 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qbe h LYS 13 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1qbe h LYS 13 CO 0.00 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 176.87 1qbe n ASP 14 N -5.22 0.00 -1.44 4.20 5.75 -1.26 -4.88 116.55 113.69 1qbe n ASP 14 Ca 0.07 0.06 -0.19 0.00 -0.01 0.00 0.00 54.79 54.73 1qbe n ASP 14 Cb 0.30 -0.34 -0.08 0.00 -1.03 0.00 0.00 41.12 39.97 1qbe n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qbe n GLY 15 N 1.07 1.78 1.68 6.12 0.00 0.15 -4.84 105.19 111.15 1qbe n GLY 15 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1qbe n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qbe n LYS 16 N -2.03 2.75 -4.45 1.61 -0.00 -0.92 -3.73 118.16 111.39 1qbe n LYS 16 Ca -0.19 -3.67 -0.22 0.00 -0.00 0.00 0.00 58.31 54.24 1qbe n LYS 16 Cb 0.66 -2.08 -0.10 0.00 -0.00 0.00 0.00 35.03 33.51 1qbe n LYS 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1qbe s GLN 17 N -3.50 1.67 -0.05 -1.58 -0.21 -0.33 -4.88 119.66 110.78 1qbe s GLN 17 Ca 0.50 -1.94 -0.07 0.00 0.02 0.00 0.00 55.36 53.87 1qbe s GLN 17 Cb 0.42 -0.82 0.01 0.00 1.00 0.00 0.00 33.01 33.62 1qbe s GLN 17 CO 0.01 -0.22 0.18 0.95 -2.12 0.00 0.00 175.29 174.08 1qbe s THR 18 N -3.30 0.03 -0.05 -0.19 -4.23 -1.26 -0.63 115.64 106.00 1qbe s THR 18 Ca 0.35 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1qbe s THR 18 Cb 0.08 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.59 1qbe s THR 18 CO 0.15 -0.12 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.75 1qbe s LEU 19 N -0.40 1.78 -0.18 4.79 2.96 0.44 -4.97 118.68 123.09 1qbe s LEU 19 Ca -0.05 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1qbe s LEU 19 Cb -0.03 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 1qbe s LEU 19 CO 0.01 0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 1qbe s VAL 20 N 0.36 3.88 -0.22 1.68 1.01 -1.26 0.21 120.40 126.06 1qbe s VAL 20 Ca -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1qbe s VAL 20 Cb -0.13 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1qbe s VAL 20 CO 0.03 0.46 -0.06 -0.76 0.00 0.00 0.00 175.10 174.77 1qbe s LEU 21 N 0.72 2.86 0.08 3.92 1.43 0.11 -1.35 118.68 126.44 1qbe s LEU 21 Ca -0.01 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 1qbe s LEU 21 Cb -0.14 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 1qbe s LEU 21 CO 0.02 -0.03 0.68 0.20 0.23 0.00 0.00 176.35 177.45 1qbe s ASN 22 N 1.45 7.18 0.56 2.29 0.01 0.32 -0.28 114.94 126.48 1qbe s ASN 22 Ca 0.05 1.40 -0.21 0.00 -0.71 0.00 0.00 52.86 53.40 1qbe s ASN 22 Cb -0.14 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1qbe s ASN 22 CO -0.04 0.17 1.29 -2.16 -1.51 0.00 0.00 177.10 174.85 1qbe s PRO 23 N -0.73 3.08 -0.31 -0.60 0.04 -1.25 -2.29 135.00 132.94 1qbe s PRO 23 Ca 0.33 2.06 0.19 0.00 0.04 0.00 0.00 61.00 63.62 1qbe s PRO 23 Cb -0.21 -2.13 0.47 0.00 0.04 0.00 0.00 34.50 32.67 1qbe s PRO 23 CO 0.22 -1.18 0.99 -2.13 0.04 0.00 0.00 177.00 174.94 1qbe n ARG 24 N -1.24 1.36 -0.98 4.56 3.00 0.54 -4.87 116.66 119.04 1qbe n ARG 24 Ca 0.12 -3.35 0.13 0.00 -0.00 0.00 0.00 57.85 54.75 1qbe n ARG 24 Cb 0.47 -1.36 -0.03 0.00 0.00 0.00 0.00 32.46 31.53 1qbe n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qbe n GLY 25 N -0.21 -1.69 2.92 5.14 0.00 -1.26 -4.44 105.19 105.65 1qbe n GLY 25 Ca 0.10 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1qbe n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbe s VAL 26 N -1.56 1.29 -0.11 1.61 1.01 -1.26 -2.40 120.40 118.98 1qbe s VAL 26 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 1qbe s VAL 26 Cb 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1qbe s VAL 26 CO 0.00 0.10 2.04 -3.20 0.00 0.00 0.00 175.10 174.03 1qbe n ASN 27 N 4.80 3.53 0.00 3.32 2.85 -0.39 -4.80 115.26 124.57 1qbe n ASN 27 Ca -0.13 0.69 0.03 0.00 -0.11 0.00 0.00 54.58 55.06 1qbe n ASN 27 Cb 0.47 -1.46 0.16 0.00 1.24 0.00 0.00 39.78 40.18 1qbe n ASN 27 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1qbe n PRO 28 N 7.68 0.51 -0.08 1.20 -0.04 -1.26 0.02 135.00 143.03 1qbe n PRO 28 Ca 0.25 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 1qbe n PRO 28 Cb 0.37 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 1qbe n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qbe n THR 29 N -0.66 1.51 -0.02 0.52 -1.04 -1.26 -4.62 114.28 108.71 1qbe n THR 29 Ca 0.04 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1qbe n THR 29 Cb 0.02 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1qbe n THR 29 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1qbe n ASN 30 N -3.04 0.04 -2.20 8.00 3.02 -1.12 -5.01 115.26 114.96 1qbe n ASN 30 Ca -0.34 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1qbe n ASN 30 Cb 1.08 0.68 0.04 0.00 -0.61 0.00 0.00 39.78 40.97 1qbe n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qbe n GLY 31 N 0.68 0.11 3.50 7.41 0.00 0.10 -4.99 105.19 112.01 1qbe n GLY 31 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1qbe n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbe s VAL 32 N -3.18 4.34 0.24 1.61 1.01 -1.16 -4.60 120.40 118.67 1qbe s VAL 32 Ca 0.23 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 1qbe s VAL 32 Cb -0.10 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1qbe s VAL 32 CO 0.39 0.40 0.83 0.00 0.00 0.00 0.00 175.10 176.72 1qbe s ALA 33 N 1.08 3.35 -0.01 5.51 0.00 -0.05 -1.27 121.76 130.36 1qbe s ALA 33 Ca 0.04 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1qbe s ALA 33 Cb -0.14 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1qbe s ALA 33 CO 0.03 0.26 -0.14 -1.12 0.00 0.00 0.00 175.76 174.78 1qbe s SER 34 N -1.44 1.70 0.02 0.00 0.01 -1.01 -1.39 113.70 111.60 1qbe s SER 34 Ca 0.43 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.48 1qbe s SER 34 Cb -0.20 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 1qbe s SER 34 CO 0.25 0.18 -0.16 -0.76 0.41 0.00 0.00 173.24 173.16 1qbe s LEU 35 N -0.33 2.12 0.10 2.44 1.43 0.36 -0.34 118.68 124.46 1qbe s LEU 35 Ca 0.05 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1qbe s LEU 35 Cb -0.06 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1qbe s LEU 35 CO -0.00 0.11 -0.05 -0.94 0.23 0.00 0.00 176.35 175.70 1qbe s SER 36 N -0.87 1.05 0.27 2.29 1.04 -0.97 -1.45 113.70 115.05 1qbe s SER 36 Ca 0.04 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.15 1qbe s SER 36 Cb -0.07 0.11 -0.11 0.00 0.10 0.00 0.00 66.02 66.05 1qbe s SER 36 CO 0.01 -0.50 1.53 -1.58 0.98 0.00 0.00 173.24 173.68 1qbe s GLN 37 N -3.86 4.18 0.49 4.02 0.74 -0.27 -0.52 119.66 124.45 1qbe s GLN 37 Ca 0.13 2.46 -0.21 0.00 0.05 0.00 0.00 55.36 57.78 1qbe s GLN 37 Cb 0.06 -3.07 -0.07 0.00 1.10 0.00 0.00 33.01 31.03 1qbe s GLN 37 CO -0.04 -0.55 1.10 0.00 -0.55 0.00 0.00 175.29 175.25 1qbe s ALA 38 N 0.08 2.87 0.00 1.58 0.00 -0.46 -3.52 121.76 122.31 1qbe s ALA 38 Ca 0.62 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1qbe s ALA 38 Cb -0.45 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1qbe s ALA 38 CO 0.45 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1qbe n GLY 39 N 0.15 0.22 3.96 0.00 0.00 -1.26 -4.98 105.19 103.27 1qbe n GLY 39 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1qbe n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbe s ALA 40 N -1.54 3.86 0.13 4.61 0.00 -1.23 -5.08 121.76 122.51 1qbe s ALA 40 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 1qbe s ALA 40 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 1qbe s ALA 40 CO 0.00 0.08 0.75 0.08 0.00 0.00 0.00 175.76 176.68 1qbe s VAL 41 N -2.16 4.47 0.30 0.00 1.01 -1.26 -4.90 120.40 117.86 1qbe s VAL 41 Ca 0.38 1.64 0.01 0.00 0.00 0.00 0.00 61.98 64.01 1qbe s VAL 41 Cb -0.09 -4.11 0.37 0.00 0.00 0.00 0.00 36.38 32.55 1qbe s VAL 41 CO 0.32 0.50 1.60 1.55 0.00 0.00 0.00 175.10 179.07 1qbe h PRO 42 N 4.59 0.06 0.00 2.72 0.13 -1.97 0.20 132.00 137.73 1qbe h PRO 42 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1qbe h PRO 42 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qbe h PRO 42 CO 0.67 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1qbe n ALA 43 N -2.99 1.10 -1.36 -0.56 0.00 -1.26 -1.98 120.51 113.46 1qbe n ALA 43 Ca 0.22 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.80 1qbe n ALA 43 Cb 0.72 -1.19 0.06 0.00 0.00 0.00 0.00 19.45 19.03 1qbe n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qbe n LEU 44 N -1.91 1.13 -4.74 0.00 4.77 0.66 -4.89 117.00 112.02 1qbe n LEU 44 Ca -0.00 -1.86 -0.41 0.00 -0.03 0.00 0.00 56.01 53.71 1qbe n LEU 44 Cb 0.04 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1qbe n LEU 44 CO 0.07 0.44 0.89 -1.61 -1.33 0.00 0.00 177.39 175.84 1qbe s GLU 45 N -1.27 4.49 -0.06 3.23 2.02 -0.84 -4.80 118.70 121.47 1qbe s GLU 45 Ca 0.13 1.91 -0.27 0.00 0.02 0.00 0.00 54.97 56.77 1qbe s GLU 45 Cb 0.11 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1qbe s GLU 45 CO 0.01 -0.07 0.86 0.15 0.02 0.00 0.00 175.26 176.23 1qbe s LYS 46 N -0.54 4.46 0.35 1.61 1.02 -1.26 -4.65 119.74 120.72 1qbe s LYS 46 Ca 0.52 1.15 0.08 0.00 0.02 0.00 0.00 55.97 57.74 1qbe s LYS 46 Cb -0.34 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1qbe s LYS 46 CO 0.39 -0.08 0.27 1.03 -0.92 0.00 0.00 175.35 176.03 1qbe s ARG 47 N 1.23 2.62 -0.22 1.68 1.81 0.03 -1.11 118.95 124.99 1qbe s ARG 47 Ca 0.44 -1.39 -0.12 0.00 -1.72 0.00 0.00 55.73 52.94 1qbe s ARG 47 Cb -0.19 -2.39 0.07 0.00 -0.45 0.00 0.00 34.95 31.99 1qbe s ARG 47 CO 0.21 0.06 0.54 0.08 -0.68 0.00 0.00 175.30 175.51 1qbe s VAL 48 N -2.36 -0.01 0.05 3.52 1.01 -0.53 -2.11 120.40 119.96 1qbe s VAL 48 Ca 0.41 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1qbe s VAL 48 Cb -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1qbe s VAL 48 CO 0.26 0.02 -0.14 0.42 0.00 0.00 0.00 175.10 175.66 1qbe s THR 49 N 1.52 1.11 -0.01 3.92 -4.23 -0.29 -0.49 115.64 117.16 1qbe s THR 49 Ca -0.10 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1qbe s THR 49 Cb -0.07 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1qbe s THR 49 CO -0.16 -0.06 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.13 1qbe s VAL 50 N -0.96 0.32 -0.10 2.29 1.01 -0.49 -1.84 120.40 120.63 1qbe s VAL 50 Ca 0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1qbe s VAL 50 Cb -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1qbe s VAL 50 CO 0.02 0.10 0.27 -0.94 0.00 0.00 0.00 175.10 174.55 1qbe s SER 51 N 0.06 -0.28 -0.32 3.32 1.04 -0.69 -0.88 113.70 115.95 1qbe s SER 51 Ca -0.00 0.55 0.03 0.00 0.48 0.00 0.00 55.95 57.00 1qbe s SER 51 Cb -0.03 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.70 1qbe s SER 51 CO -0.00 -0.11 0.02 -0.69 0.98 0.00 0.00 173.24 173.43 1qbe s VAL 52 N 0.40 2.37 0.14 5.02 1.01 -1.26 -1.16 120.40 126.92 1qbe s VAL 52 Ca -0.02 -2.09 -0.33 0.00 0.00 0.00 0.00 61.98 59.54 1qbe s VAL 52 Cb -0.04 -2.63 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 1qbe s VAL 52 CO -0.02 -0.43 1.72 -0.24 0.00 0.00 0.00 175.10 176.13 1qbe n SER 53 N 4.34 3.61 0.03 3.32 2.88 0.20 -4.93 113.62 123.07 1qbe n SER 53 Ca -0.02 1.04 -0.11 0.00 -1.33 0.00 0.00 58.87 58.45 1qbe n SER 53 Cb 0.42 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.40 1qbe n SER 53 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1qbe h GLN 54 N 7.16 0.50 0.00 -1.46 1.08 -1.98 -3.32 115.11 117.08 1qbe h GLN 54 Ca -0.45 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 56.35 1qbe h GLN 54 Cb 1.23 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1qbe h GLN 54 CO 0.93 1.03 0.00 -0.35 -0.95 0.00 0.00 178.83 179.48 1qbe n PRO 55 N -3.87 0.00 0.00 1.46 -0.04 -1.26 -4.95 135.00 126.34 1qbe n PRO 55 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1qbe n PRO 55 Cb 0.71 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.17 1qbe n PRO 55 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qbe n ASN 61 N 0.00 0.00 -4.58 3.54 3.02 -1.26 -4.92 115.26 111.06 1qbe n ASN 61 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1qbe n ASN 61 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1qbe n ASN 61 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qbe s TYR 62 N 0.00 2.75 -0.02 3.10 1.51 -0.19 -4.97 117.35 119.53 1qbe s TYR 62 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1qbe s TYR 62 Cb 0.00 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1qbe s TYR 62 CO 0.00 0.42 0.00 0.15 -1.11 0.00 0.00 175.55 175.01 1qbe s LYS 63 N -2.14 0.17 -0.19 -0.62 1.02 -1.25 -1.85 119.74 114.88 1qbe s LYS 63 Ca 0.21 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1qbe s LYS 63 Cb -0.11 -0.33 0.02 0.00 -0.52 0.00 0.00 37.83 36.89 1qbe s LYS 63 CO 0.13 -0.10 -0.17 0.08 -0.92 0.00 0.00 175.35 174.37 1qbe s VAL 64 N 0.75 2.25 -0.10 3.17 1.01 -0.71 0.58 120.40 127.35 1qbe s VAL 64 Ca -0.07 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1qbe s VAL 64 Cb -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1qbe s VAL 64 CO -0.02 0.47 -0.21 -1.58 0.00 0.00 0.00 175.10 173.76 1qbe s GLN 65 N 1.30 2.78 -0.04 2.72 0.74 -0.31 -0.51 119.66 126.35 1qbe s GLN 65 Ca 0.04 -0.78 0.05 0.00 0.05 0.00 0.00 55.36 54.71 1qbe s GLN 65 Cb -0.14 -2.13 -0.01 0.00 1.10 0.00 0.00 33.01 31.83 1qbe s GLN 65 CO -0.11 0.13 -0.18 0.08 -0.55 0.00 0.00 175.29 174.66 1qbe s VAL 66 N 0.45 1.48 0.04 1.34 1.01 -0.31 -1.70 120.40 122.72 1qbe s VAL 66 Ca -0.17 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1qbe s VAL 66 Cb -0.17 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1qbe s VAL 66 CO 0.07 0.42 -0.11 -0.54 0.00 0.00 0.00 175.10 174.95 1qbe s LYS 67 N -0.12 0.71 -0.05 2.72 1.02 -0.77 -0.93 119.74 122.33 1qbe s LYS 67 Ca -0.01 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.32 1qbe s LYS 67 Cb -0.10 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1qbe s LYS 67 CO 0.01 0.15 -0.16 0.42 -0.92 0.00 0.00 175.35 174.85 1qbe s ILE 68 N -0.97 1.37 -0.16 2.17 1.01 -0.40 -1.14 121.20 123.08 1qbe s ILE 68 Ca -0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 1qbe s ILE 68 Cb -0.08 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.24 1qbe s ILE 68 CO 0.01 0.40 -0.07 -1.10 0.00 0.00 0.00 174.94 174.18 1qbe s GLN 69 N 0.14 1.56 -0.30 2.79 -0.21 -0.90 -2.33 119.66 120.41 1qbe s GLN 69 Ca -0.06 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 54.84 1qbe s GLN 69 Cb -0.12 -1.99 0.08 0.00 1.00 0.00 0.00 33.01 31.98 1qbe s GLN 69 CO 0.02 -0.40 -0.01 -0.80 -2.12 0.00 0.00 175.29 171.99 1qbe s ASN 70 N 1.61 4.47 0.56 5.90 0.01 -0.59 -0.79 114.94 126.11 1qbe s ASN 70 Ca 0.01 -1.74 -0.09 0.00 -0.71 0.00 0.00 52.86 50.33 1qbe s ASN 70 Cb -0.15 -1.47 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 1qbe s ASN 70 CO -0.08 -0.31 0.94 -2.16 -1.51 0.00 0.00 177.10 173.98 1qbe s PRO 71 N 1.10 3.60 -0.01 -0.60 0.04 -1.26 -0.66 135.00 137.21 1qbe s PRO 71 Ca 0.02 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1qbe s PRO 71 Cb -0.19 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 1qbe s PRO 71 CO -0.08 -0.42 -0.08 0.95 0.04 0.00 0.00 177.00 177.40 1qbe s THR 72 N -2.99 0.66 -0.01 1.26 -4.23 -0.19 -4.95 115.64 105.19 1qbe s THR 72 Ca 0.52 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1qbe s THR 72 Cb -0.11 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1qbe s THR 72 CO 0.50 0.19 0.10 0.00 -0.54 0.00 0.00 174.62 174.87 1qbe s ALA 73 N -0.10 -0.24 -0.22 3.99 0.00 -1.26 -0.03 121.76 123.91 1qbe s ALA 73 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1qbe s ALA 73 Cb -0.04 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.14 1qbe s ALA 73 CO -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 175.76 175.54 1qbe n THR 75 N 4.68 0.77 0.13 0.00 -1.04 -1.26 -3.90 114.28 113.66 1qbe n THR 75 Ca -0.13 -0.33 0.19 0.00 -2.04 0.00 0.00 64.05 61.73 1qbe n THR 75 Cb 0.45 -0.56 0.77 0.00 -1.82 0.00 0.00 70.33 69.17 1qbe n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qbe s ASP 81 N -5.62 5.84 0.27 0.00 1.01 -1.26 -5.08 116.67 111.82 1qbe s ASP 81 Ca -0.05 -1.11 -0.30 0.00 0.71 0.00 0.00 52.55 51.80 1qbe s ASP 81 Cb 0.16 -2.06 -0.11 0.00 1.01 0.00 0.00 42.92 41.92 1qbe s ASP 81 CO 0.57 -0.46 1.58 -2.84 0.21 0.00 0.00 175.17 174.23 1qbe s PRO 82 N 1.56 4.15 0.16 8.23 0.02 -1.26 -5.00 135.00 142.87 1qbe s PRO 82 Ca 0.03 2.52 0.04 0.00 0.02 0.00 0.00 61.00 63.61 1qbe s PRO 82 Cb -0.20 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1qbe s PRO 82 CO 0.07 -0.60 0.22 -1.54 -0.33 0.00 0.00 177.00 174.81 1qbe s SER 83 N 0.56 5.98 -0.03 2.53 1.04 -1.25 -4.95 113.70 117.57 1qbe s SER 83 Ca 0.64 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.80 1qbe s SER 83 Cb -0.47 -1.70 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 1qbe s SER 83 CO 0.45 0.05 1.04 -0.69 0.98 0.00 0.00 173.24 175.07 1qbe s VAL 84 N -1.76 4.69 -0.20 5.02 1.01 -1.26 -3.44 120.40 124.45 1qbe s VAL 84 Ca 0.33 1.94 -0.20 0.00 0.00 0.00 0.00 61.98 64.05 1qbe s VAL 84 Cb -0.11 -4.24 -0.20 0.00 0.00 0.00 0.00 36.38 31.83 1qbe s VAL 84 CO 0.26 0.09 0.22 0.41 0.00 0.00 0.00 175.10 176.08 1qbe n THR 85 N 4.20 1.57 -4.04 3.92 -1.04 0.96 -4.99 114.28 114.85 1qbe n THR 85 Ca 0.08 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.05 61.87 1qbe n THR 85 Cb 0.49 -2.00 -0.06 0.00 -1.82 0.00 0.00 70.33 66.94 1qbe n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qbe s ARG 86 N -2.39 1.57 0.00 -2.82 1.70 -1.23 -5.01 118.95 110.76 1qbe s ARG 86 Ca -0.28 -1.39 0.02 0.00 -0.47 0.00 0.00 55.73 53.61 1qbe s ARG 86 Cb 0.06 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.87 1qbe s ARG 86 CO 0.61 -0.64 -0.07 -0.65 -1.08 0.00 0.00 175.30 173.48 1qbe s GLN 87 N -3.86 0.52 -0.09 3.89 -1.52 -1.26 -1.02 119.66 116.32 1qbe s GLN 87 Ca 0.26 -0.30 -0.02 0.00 -1.95 0.00 0.00 55.36 53.36 1qbe s GLN 87 Cb 0.00 -0.48 -0.03 0.00 -0.22 0.00 0.00 33.01 32.28 1qbe s GLN 87 CO 0.11 0.13 -0.02 0.00 -0.25 0.00 0.00 175.29 175.26 1qbe s ALA 88 N -0.30 3.16 0.05 6.09 0.00 0.17 -4.93 121.76 125.99 1qbe s ALA 88 Ca 0.01 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1qbe s ALA 88 Cb -0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1qbe s ALA 88 CO -0.00 0.52 -0.16 0.71 0.00 0.00 0.00 175.76 176.83 1qbe s TYR 89 N -0.64 1.36 -0.03 0.00 2.02 -1.26 -1.54 117.35 117.25 1qbe s TYR 89 Ca 0.10 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1qbe s TYR 89 Cb -0.12 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.67 1qbe s TYR 89 CO 0.02 0.06 -0.03 0.00 -1.57 0.00 0.00 175.55 174.04 1qbe s ALA 90 N -0.96 0.50 -0.08 3.71 0.00 -0.99 -4.99 121.76 118.97 1qbe s ALA 90 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1qbe s ALA 90 Cb -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1qbe s ALA 90 CO 0.02 -0.02 -0.05 0.34 0.00 0.00 0.00 175.76 176.05 1qbe s ASP 91 N 0.85 1.61 -0.00 0.00 -1.08 -1.26 -1.27 116.67 115.52 1qbe s ASP 91 Ca -0.10 -0.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.78 1qbe s ASP 91 Cb -0.13 -0.62 -0.01 0.00 -1.46 0.00 0.00 42.92 40.69 1qbe s ASP 91 CO -0.01 -0.10 -0.13 -0.69 0.52 0.00 0.00 175.17 174.77 1qbe s VAL 92 N 1.39 1.05 -0.06 1.11 1.01 -0.11 -5.02 120.40 119.77 1qbe s VAL 92 Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1qbe s VAL 92 Cb -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.40 1qbe s VAL 92 CO -0.03 0.25 0.13 0.42 0.00 0.00 0.00 175.10 175.87 1qbe s THR 93 N -0.39 -0.06 0.11 3.92 -4.23 -1.26 -1.16 115.64 112.57 1qbe s THR 93 Ca 0.05 0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1qbe s THR 93 Cb -0.05 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1qbe s THR 93 CO -0.00 0.08 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.76 1qbe s PHE 94 N 1.22 2.86 -0.01 3.99 0.40 0.33 -4.95 117.98 121.83 1qbe s PHE 94 Ca -0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1qbe s PHE 94 Cb -0.12 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 41.96 1qbe s PHE 94 CO -0.06 0.46 0.02 -1.54 0.70 0.00 0.00 175.22 174.81 1qbe s SER 95 N -2.37 0.08 -0.00 1.36 1.04 -1.26 -1.74 113.70 110.81 1qbe s SER 95 Ca 0.24 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.66 1qbe s SER 95 Cb -0.11 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.95 1qbe s SER 95 CO 0.17 -0.08 0.06 -0.36 0.98 0.00 0.00 173.24 174.01 1qbe s PHE 96 N 0.68 0.08 0.65 5.02 0.08 -0.77 -4.97 117.98 118.74 1qbe s PHE 96 Ca -0.06 -0.17 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1qbe s PHE 96 Cb -0.08 -0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.28 1qbe s PHE 96 CO -0.02 -0.18 1.05 0.99 -0.10 0.00 0.00 175.22 176.96 1qbe s THR 97 N -1.00 4.11 -0.51 0.64 2.01 -1.26 -1.03 115.64 118.61 1qbe s THR 97 Ca -0.11 0.77 0.17 0.00 0.31 0.00 0.00 61.69 62.84 1qbe s THR 97 Cb -0.06 -3.48 0.17 0.00 0.01 0.00 0.00 72.50 69.13 1qbe s THR 97 CO 0.00 -0.81 1.52 0.00 -0.69 0.00 0.00 174.62 174.64 1qbe n GLN 98 N -2.73 0.11 -0.34 4.92 6.02 -1.26 -0.74 117.38 123.37 1qbe n GLN 98 Ca 0.07 0.52 0.12 0.00 -0.01 0.00 0.00 57.00 57.70 1qbe n GLN 98 Cb 0.53 -1.80 0.30 0.00 1.02 0.00 0.00 30.24 30.30 1qbe n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qbe n TYR 99 N -2.03 0.89 -2.37 1.08 4.01 -1.26 -4.96 117.16 112.52 1qbe n TYR 99 Ca 0.00 -0.44 -0.42 0.00 -0.16 0.00 0.00 57.90 56.88 1qbe n TYR 99 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1qbe n TYR 99 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1qbe s SER 100 N -1.09 7.05 0.37 7.72 1.04 0.08 -5.00 113.70 123.87 1qbe s SER 100 Ca 0.47 2.16 -0.25 0.00 0.48 0.00 0.00 55.95 58.81 1qbe s SER 100 Cb 0.25 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.68 1qbe s SER 100 CO 0.33 -0.45 1.00 0.42 0.98 0.00 0.00 173.24 175.53 1qbe s THR 101 N 0.54 3.95 0.48 2.02 -4.23 -1.26 -4.91 115.64 112.22 1qbe s THR 101 Ca 0.57 1.52 0.21 0.00 -1.18 0.00 0.00 61.69 62.81 1qbe s THR 101 Cb -0.32 -3.79 0.39 0.00 1.34 0.00 0.00 72.50 70.12 1qbe s THR 101 CO 0.33 0.03 1.93 -2.24 -0.54 0.00 0.00 174.62 174.13 1qbe h ASP 102 N 2.71 0.21 -0.99 3.99 2.03 -2.01 0.35 116.42 122.71 1qbe h ASP 102 Ca -0.48 0.01 0.03 0.00 -0.73 0.00 0.00 57.03 55.87 1qbe h ASP 102 Cb 1.20 -0.03 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 1qbe h ASP 102 CO 0.63 0.10 0.65 -0.08 -1.03 0.00 0.00 179.24 179.51 1qbe h GLU 103 N 0.22 1.23 0.64 4.15 4.81 -1.99 -1.63 114.58 122.00 1qbe h GLU 103 Ca 0.35 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1qbe h GLU 103 Cb 1.05 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 30.16 1qbe h GLU 103 CO -0.07 0.81 -0.31 0.93 -0.73 0.00 0.00 179.01 179.65 1qbe h GLU 104 N 1.26 -0.82 -0.42 1.92 5.08 -0.66 -1.26 114.58 119.67 1qbe h GLU 104 Ca 0.39 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.86 1qbe h GLU 104 Cb -0.02 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1qbe h GLU 104 CO -0.12 -0.53 0.15 0.00 -1.00 0.00 0.00 179.01 177.52 1qbe h ARG 105 N -0.93 0.31 -0.66 2.33 -0.00 -1.44 -0.52 114.38 113.47 1qbe h ARG 105 Ca -0.09 -0.02 0.14 0.00 -0.50 0.00 0.00 59.98 59.51 1qbe h ARG 105 Cb 0.68 -0.07 -0.12 0.00 0.00 0.00 0.00 29.97 30.46 1qbe h ARG 105 CO 0.14 0.20 -0.06 0.00 0.00 0.00 0.00 179.97 180.25 1qbe h ALA 106 N 1.28 0.57 0.60 0.04 0.00 -1.19 0.56 119.26 121.12 1qbe h ALA 106 Ca 0.20 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1qbe h ALA 106 Cb 0.19 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1qbe h ALA 106 CO -0.20 -0.41 -0.51 0.35 0.00 0.00 0.00 179.25 178.47 1qbe h PHE 107 N 0.06 -1.40 -0.47 0.00 3.04 0.11 -0.86 116.94 117.43 1qbe h PHE 107 Ca 0.34 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.38 1qbe h PHE 107 Cb 0.55 0.53 -0.10 0.00 2.56 0.00 0.00 35.95 39.49 1qbe h PHE 107 CO -0.44 -0.70 -0.25 0.28 -2.02 0.00 0.00 178.31 175.18 1qbe h VAL 108 N -1.08 0.31 0.14 1.41 2.07 -0.51 0.33 116.25 118.93 1qbe h VAL 108 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1qbe h VAL 108 Cb 0.92 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1qbe h VAL 108 CO -0.01 0.00 -0.45 -0.09 0.02 0.00 0.00 177.57 177.04 1qbe h ARG 109 N -0.15 -0.65 -0.96 1.57 1.12 -0.65 0.03 114.38 114.70 1qbe h ARG 109 Ca 0.21 0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.23 1qbe h ARG 109 Cb 0.49 0.15 -0.08 0.00 -0.01 0.00 0.00 29.97 30.52 1qbe h ARG 109 CO -0.56 -0.43 0.60 1.79 -3.11 0.00 0.00 179.97 178.26 1qbe h THR 110 N -0.67 0.95 0.11 0.20 1.35 -0.58 -1.23 112.91 113.04 1qbe h THR 110 Ca -0.01 -0.34 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1qbe h THR 110 Cb 0.66 -0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 66.93 1qbe h THR 110 CO -0.22 0.18 -0.23 -0.08 -0.25 0.00 0.00 175.52 174.92 1qbe h GLU 111 N 0.99 -0.41 -0.12 4.72 4.81 0.43 0.80 114.58 125.80 1qbe h GLU 111 Ca 0.46 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.76 1qbe h GLU 111 Cb 0.38 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1qbe h GLU 111 CO -0.24 -0.27 -0.25 1.25 -0.73 0.00 0.00 179.01 178.77 1qbe h LEU 112 N -0.43 -0.77 -0.24 1.64 5.85 -0.21 0.22 115.31 121.37 1qbe h LEU 112 Ca 0.03 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1qbe h LEU 112 Cb 0.45 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 1qbe h LEU 112 CO -0.13 -0.30 -0.44 0.00 -0.34 0.00 0.00 178.44 177.23 1qbe h ALA 113 N 0.60 -0.57 -0.68 1.25 0.00 -0.66 -0.00 119.26 119.20 1qbe h ALA 113 Ca 0.10 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1qbe h ALA 113 Cb 0.47 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1qbe h ALA 113 CO -0.30 -0.92 0.33 0.00 0.00 0.00 0.00 179.25 178.35 1qbe h ALA 114 N 0.19 0.93 -0.78 0.00 0.00 -0.10 -1.03 119.26 118.47 1qbe h ALA 114 Ca 0.09 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1qbe h ALA 114 Cb 0.61 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1qbe h ALA 114 CO -0.47 -0.08 0.46 -0.07 0.00 0.00 0.00 179.25 179.09 1qbe h LEU 115 N 0.56 0.69 -2.61 0.00 3.38 0.10 -0.38 115.31 117.06 1qbe h LEU 115 Ca 0.34 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1qbe h LEU 115 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qbe h LEU 115 CO -0.27 0.43 0.07 -0.07 0.09 0.00 0.00 178.44 178.68 1qbe h LEU 116 N 0.82 0.00 0.00 1.67 3.38 0.32 0.31 115.31 121.81 1qbe h LEU 116 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qbe h LEU 116 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qbe h LEU 116 CO -0.20 0.00 -0.56 0.00 0.09 0.00 0.00 178.44 177.77 1qbe n ALA 117 N -2.18 3.21 -1.83 1.53 0.00 -0.17 -4.46 120.51 116.61 1qbe n ALA 117 Ca -0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1qbe n ALA 117 Cb 0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1qbe n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qbe s SER 118 N -3.58 6.52 0.31 0.00 0.15 0.11 -4.83 113.70 112.38 1qbe s SER 118 Ca 0.09 2.78 0.05 0.00 0.70 0.00 0.00 55.95 59.56 1qbe s SER 118 Cb 0.16 -2.62 0.68 0.00 -1.71 0.00 0.00 66.02 62.52 1qbe s SER 118 CO 0.71 -0.81 1.83 1.55 1.20 0.00 0.00 173.24 177.72 1qbe h PRO 119 N 5.29 0.83 -0.45 5.44 0.13 -1.91 0.17 132.00 141.50 1qbe h PRO 119 Ca -0.46 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1qbe h PRO 119 Cb 1.22 -0.19 -0.09 0.00 0.13 0.00 0.00 31.00 32.07 1qbe h PRO 119 CO 0.81 0.55 -0.16 1.25 -0.23 0.00 0.00 178.00 180.22 1qbe h LEU 120 N 0.85 -0.57 -0.12 1.56 7.12 -1.91 -1.05 115.31 121.19 1qbe h LEU 120 Ca 0.50 0.15 -0.10 0.00 0.13 0.00 0.00 57.88 58.56 1qbe h LEU 120 Cb 0.65 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1qbe h LEU 120 CO -0.27 -0.20 -0.32 -0.07 -0.13 0.00 0.00 178.44 177.45 1qbe h LEU 121 N -0.06 0.50 -0.96 2.25 3.38 -0.98 -3.03 115.31 116.41 1qbe h LEU 121 Ca 0.22 -0.58 0.11 0.00 0.09 0.00 0.00 57.88 57.72 1qbe h LEU 121 Cb 0.40 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1qbe h LEU 121 CO -0.50 1.00 0.59 0.16 0.09 0.00 0.00 178.44 179.78 1qbe h ILE 122 N 0.03 0.92 -0.26 1.22 3.07 -0.54 0.81 117.51 122.75 1qbe h ILE 122 Ca -0.01 -0.32 -0.11 0.00 1.55 0.00 0.00 64.86 65.97 1qbe h ILE 122 Cb 0.94 -0.11 -0.01 0.00 -0.27 0.00 0.00 36.82 37.36 1qbe h ILE 122 CO 0.07 0.17 -0.31 -0.78 -1.05 0.00 0.00 178.15 176.25 1qbe h ASP 123 N 0.95 0.56 0.18 2.16 3.58 -1.25 0.42 116.42 123.02 1qbe h ASP 123 Ca 0.47 -0.21 -0.15 0.00 0.42 0.00 0.00 57.03 57.56 1qbe h ASP 123 Cb 0.46 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1qbe h ASP 123 CO -0.26 0.83 -0.58 0.00 -2.88 0.00 0.00 179.24 176.35 1qbe h ALA 124 N 1.20 0.76 0.00 -0.78 0.00 -0.85 -1.15 119.26 118.44 1qbe h ALA 124 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qbe h ALA 124 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1qbe h ALA 124 CO 0.06 0.70 -0.59 -0.89 0.00 0.00 0.00 179.25 178.53 1qbe n ILE 125 N -3.92 1.36 -0.29 0.00 5.41 0.07 -1.86 119.36 120.13 1qbe n ILE 125 Ca -0.03 0.22 -0.02 0.00 1.00 0.00 0.00 62.75 63.92 1qbe n ILE 125 Cb 0.61 -2.34 0.10 0.00 -0.71 0.00 0.00 39.64 37.31 1qbe n ILE 125 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1qbe h ASP 126 N -0.95 0.82 -0.01 4.38 5.19 -0.34 -3.03 116.42 122.48 1qbe h ASP 126 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1qbe h ASP 126 Cb 0.59 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1qbe h ASP 126 CO 0.00 0.55 -0.22 0.00 -3.12 0.00 0.00 179.24 176.45 1qbe n GLN 127 N -4.61 1.57 -2.21 3.56 1.13 -0.82 -4.98 117.38 111.03 1qbe n GLN 127 Ca 0.10 -1.02 -0.17 0.00 -1.94 0.00 0.00 57.00 53.96 1qbe n GLN 127 Cb 0.11 -1.28 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 1qbe n GLN 127 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1qbe n LEU 128 N 0.22 -1.53 -4.58 1.08 4.32 -0.66 -4.92 117.00 110.92 1qbe n LEU 128 Ca 0.08 0.15 -0.39 0.00 -0.02 0.00 0.00 56.01 55.83 1qbe n LEU 128 Cb 0.36 -2.57 -0.10 0.00 -1.62 0.00 0.00 43.42 39.49 1qbe n LEU 128 CO 0.17 -0.35 -0.02 0.20 -1.22 0.00 0.00 177.39 176.17 1qbe s ASN 129 N -2.14 6.16 1.18 -1.43 0.01 -0.53 -4.93 114.94 113.26 1qbe s ASN 129 Ca 0.00 0.06 -0.16 0.00 -0.71 0.00 0.00 52.86 52.05 1qbe s ASN 129 Cb 0.00 -2.18 0.28 0.00 0.41 0.00 0.00 41.25 39.76 1qbe s ASN 129 CO 0.00 -0.18 1.04 -2.16 -1.51 0.00 0.00 177.10 174.29 1qbe s PRO 130 N 1.95 -1.05 0.30 -0.60 0.04 -1.26 -3.15 135.00 131.24 1qbe s PRO 130 Ca 0.12 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 1qbe s PRO 130 Cb -0.16 -1.57 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 1qbe s PRO 130 CO 0.11 -3.70 0.66 0.00 0.04 0.00 0.00 177.00 174.11 1qbe s ALA 131 N -2.67 3.44 0.00 8.56 0.00 -1.26 -4.91 121.76 124.92 1qbe s ALA 131 Ca 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1qbe s ALA 131 Cb -0.18 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1qbe s ALA 131 CO 0.60 0.31 0.00 2.48 0.00 0.00 0.00 175.76 179.15