#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1div s LYS 2 N 0.00 4.19 -0.00 2.12 -0.14 -1.26 0.15 119.74 124.80 1div s LYS 2 Ca 0.00 2.00 -0.03 0.00 -1.36 0.00 0.00 55.97 56.59 1div s LYS 2 Cb 0.00 -2.87 -0.00 0.00 -1.68 0.00 0.00 37.83 33.28 1div s LYS 2 CO 0.00 -0.25 0.05 0.54 -0.76 0.00 0.00 175.35 174.93 1div s VAL 3 N -1.27 0.06 -0.49 3.17 0.11 0.21 -3.04 120.40 119.15 1div s VAL 3 Ca 0.53 -0.47 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 1div s VAL 3 Cb -0.35 -0.23 0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1div s VAL 3 CO 0.45 -0.26 0.47 -0.63 -3.33 0.00 0.00 175.10 171.80 1div s ILE 4 N -0.80 5.12 0.01 7.04 -1.09 -0.35 -0.76 121.20 130.37 1div s ILE 4 Ca -0.09 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.11 1div s ILE 4 Cb -0.05 -4.19 -0.07 0.00 -1.58 0.00 0.00 42.46 36.57 1div s ILE 4 CO 0.00 -0.67 1.60 -0.36 -1.23 0.00 0.00 174.94 174.29 1div s PHE 5 N 1.94 2.35 -0.12 3.97 0.08 -0.54 -0.67 117.98 124.99 1div s PHE 5 Ca 0.07 0.37 0.17 0.00 0.12 0.00 0.00 56.93 57.66 1div s PHE 5 Cb -0.23 -3.89 -0.21 0.00 -0.57 0.00 0.00 43.02 38.12 1div s PHE 5 CO 0.08 -3.59 0.56 1.28 -0.10 0.00 0.00 175.22 173.45 1div n LEU 6 N 6.08 0.54 0.00 -0.37 4.32 0.26 -3.31 117.00 124.52 1div n LEU 6 Ca 0.16 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1div n LEU 6 Cb 0.42 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1div n LEU 6 CO 0.62 0.26 0.00 0.29 -1.22 0.00 0.00 177.39 177.34 1div n LYS 7 N -2.81 0.00 -1.40 3.23 5.02 -0.82 -3.46 118.16 117.92 1div n LYS 7 Ca -0.16 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.97 1div n LYS 7 Cb 0.93 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.78 1div n LYS 7 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1div n ASP 8 N 0.00 -1.05 0.00 4.39 2.03 -1.26 -1.30 116.55 119.36 1div n ASP 8 Ca 0.00 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1div n ASP 8 Cb 0.00 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1div n ASP 8 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1div n VAL 9 N 5.86 0.00 -2.34 5.18 0.31 -1.26 -4.87 118.33 121.21 1div n VAL 9 Ca 0.49 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.41 1div n VAL 9 Cb 0.27 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 1div n VAL 9 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1div n LYS 10 N 0.00 2.96 0.00 5.55 4.01 -1.26 -4.63 118.16 124.78 1div n LYS 10 Ca 0.00 -3.05 0.00 0.00 -0.51 0.00 0.00 58.31 54.75 1div n LYS 10 Cb 0.00 -3.46 0.00 0.00 -0.51 0.00 0.00 35.03 31.06 1div n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1div n GLY 11 N 5.16 1.59 3.05 0.72 0.00 -1.26 -4.49 105.19 109.95 1div n GLY 11 Ca 0.49 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1div n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1div s LYS 12 N 0.00 1.97 0.00 1.61 -0.14 -1.26 -4.09 119.74 117.83 1div s LYS 12 Ca 0.00 -2.18 0.00 0.00 -1.36 0.00 0.00 55.97 52.43 1div s LYS 12 Cb 0.00 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 1div s LYS 12 CO 0.00 -1.07 0.71 0.41 -0.76 0.00 0.00 175.35 174.64 1div n GLY 13 N 3.91 -0.53 0.20 -3.33 0.00 -0.42 -3.98 105.19 101.04 1div n GLY 13 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1div n GLY 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1div h LYS 14 N 0.03 0.00 -0.95 1.61 5.09 -1.58 -0.99 116.57 119.78 1div h LYS 14 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 60.65 60.89 1div h LYS 14 Cb 0.04 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 32.28 1div h LYS 14 CO 0.00 0.00 0.56 0.87 -2.09 0.00 0.00 179.45 178.79 1div h LYS 15 N 0.00 0.77 0.00 0.07 1.57 -1.81 -3.44 116.57 113.73 1div h LYS 15 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1div h LYS 15 Cb 0.69 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1div h LYS 15 CO 0.00 0.51 0.00 0.41 -0.57 0.00 0.00 179.45 179.80 1div n GLY 16 N -1.33 0.00 3.56 3.86 0.00 -0.45 -4.63 105.19 106.19 1div n GLY 16 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1div n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1div s GLU 17 N 0.00 2.26 -0.52 1.61 -6.30 -0.74 -4.86 118.70 110.15 1div s GLU 17 Ca 0.00 0.03 -0.23 0.00 -2.50 0.00 0.00 54.97 52.27 1div s GLU 17 Cb 0.00 -4.93 0.04 0.00 0.00 0.00 0.00 34.13 29.24 1div s GLU 17 CO 0.00 -3.67 0.83 -1.50 0.02 0.00 0.00 175.26 170.94 1div s ILE 18 N 11.50 4.57 0.04 -3.70 2.07 -1.26 -1.47 121.20 132.95 1div s ILE 18 Ca 0.77 0.11 0.07 0.00 -1.41 0.00 0.00 60.65 60.19 1div s ILE 18 Cb -0.09 -4.43 -0.02 0.00 0.13 0.00 0.00 42.46 38.04 1div s ILE 18 CO 0.04 -0.95 -0.19 -0.75 -1.91 0.00 0.00 174.94 171.17 1div s LYS 19 N 3.48 1.26 -0.71 3.50 2.20 0.06 -4.89 119.74 124.64 1div s LYS 19 Ca 0.26 -0.88 -0.26 0.00 -0.36 0.00 0.00 55.97 54.73 1div s LYS 19 Cb -0.14 -1.35 0.04 0.00 -1.51 0.00 0.00 37.83 34.87 1div s LYS 19 CO 0.18 0.34 1.21 1.21 -0.36 0.00 0.00 175.35 177.93 1div s ASN 20 N -1.15 6.18 0.25 1.43 2.47 -1.26 0.63 114.94 123.50 1div s ASN 20 Ca 0.06 -0.53 -0.00 0.00 0.42 0.00 0.00 52.86 52.81 1div s ASN 20 Cb -0.08 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.14 1div s ASN 20 CO 0.02 -1.74 0.45 0.68 -3.72 0.00 0.00 177.10 172.78 1div s VAL 21 N 5.36 5.16 0.16 -5.21 -7.23 0.39 -4.70 120.40 114.34 1div s VAL 21 Ca 0.33 -0.40 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 1div s VAL 21 Cb -0.10 -3.78 -0.11 0.00 0.56 0.00 0.00 36.38 32.96 1div s VAL 21 CO 0.15 -0.30 1.78 0.00 -0.31 0.00 0.00 175.10 176.41 1div s ALA 22 N -2.01 3.85 0.70 1.32 0.00 -1.26 -0.02 121.76 124.33 1div s ALA 22 Ca 0.39 1.51 -0.15 0.00 0.00 0.00 0.00 51.96 53.71 1div s ALA 22 Cb -0.10 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1div s ALA 22 CO 0.31 -1.08 1.18 0.16 0.00 0.00 0.00 175.76 176.33 1div s ASP 23 N 1.99 4.51 0.00 0.00 -4.77 -1.26 -1.14 116.67 116.00 1div s ASP 23 Ca 0.78 2.27 0.00 0.00 -3.30 0.00 0.00 52.55 52.30 1div s ASP 23 Cb -0.48 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 38.77 1div s ASP 23 CO 0.34 -2.05 0.00 0.61 0.70 0.00 0.00 175.17 174.78 1div n GLY 24 N 0.18 2.26 0.30 2.12 0.00 -1.26 -4.38 105.19 104.41 1div n GLY 24 Ca 0.13 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1div n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1div h TYR 25 N 0.00 0.39 0.20 1.61 3.20 -1.97 1.08 116.97 121.48 1div h TYR 25 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1div h TYR 25 Cb 0.00 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1div h TYR 25 CO 0.00 -0.14 -0.18 0.00 -1.64 0.00 0.00 178.16 176.20 1div h ALA 26 N 1.72 -0.92 0.00 1.82 0.00 -1.33 0.22 119.26 120.77 1div h ALA 26 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1div h ALA 26 Cb 0.99 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1div h ALA 26 CO -0.59 -0.93 0.00 0.27 0.00 0.00 0.00 179.25 178.00 1div n ASN 27 N -3.39 0.00 -0.02 0.00 6.94 0.76 -0.56 115.26 118.98 1div n ASN 27 Ca -0.04 -0.31 0.01 0.00 -0.02 0.00 0.00 54.58 54.22 1div n ASN 27 Cb 0.17 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.51 1div n ASN 27 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1div n ASN 28 N -0.96 2.58 0.02 0.53 5.03 0.34 -4.51 115.26 118.29 1div n ASN 28 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1div n ASN 28 Cb 0.03 1.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.93 1div n ASN 28 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1div n PHE 29 N -2.10 -0.14 0.16 3.10 3.72 0.71 -4.52 117.46 118.39 1div n PHE 29 Ca -0.08 0.03 -0.16 0.00 -0.05 0.00 0.00 57.45 57.18 1div n PHE 29 Cb 0.53 0.13 -0.09 0.00 -0.94 0.00 0.00 39.48 39.10 1div n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1div h LEU 30 N 0.00 -1.46 -2.36 4.37 4.07 -1.44 0.41 115.31 118.90 1div h LEU 30 Ca 0.00 0.14 0.03 0.00 0.08 0.00 0.00 57.88 58.13 1div h LEU 30 Cb 0.00 0.52 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1div h LEU 30 CO 0.00 -0.56 0.19 -0.26 -1.08 0.00 0.00 178.44 176.73 1div h PHE 31 N -0.79 0.00 0.09 1.13 0.04 -1.02 -1.47 116.94 114.92 1div h PHE 31 Ca -0.02 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.57 1div h PHE 31 Cb 0.76 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.92 1div h PHE 31 CO -0.39 0.00 -0.74 0.87 -0.60 0.00 0.00 178.31 177.45 1div h LYS 32 N 0.00 0.34 -0.99 1.51 6.56 -0.57 -3.32 116.57 120.10 1div h LYS 32 Ca 0.04 -0.49 -0.41 0.00 -1.06 0.00 0.00 60.65 58.73 1div h LYS 32 Cb 0.42 0.17 -0.25 0.00 -0.57 0.00 0.00 32.23 32.00 1div h LYS 32 CO -0.00 1.19 0.52 0.00 -2.06 0.00 0.00 179.45 179.11 1div n GLN 33 N -4.16 2.12 -0.90 3.15 0.00 0.93 -4.88 117.38 113.64 1div n GLN 33 Ca -0.13 -2.49 -0.00 0.00 0.00 0.00 0.00 57.00 54.39 1div n GLN 33 Cb 0.77 -1.98 -0.00 0.00 0.00 0.00 0.00 30.24 29.03 1div n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1div n GLY 34 N -0.80 0.04 0.33 2.61 0.00 -0.96 -4.84 105.19 101.56 1div n GLY 34 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 1div n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1div h LEU 35 N 0.00 1.07 -8.89 0.99 4.07 -1.67 -3.41 115.31 107.47 1div h LEU 35 Ca -0.01 -0.18 -0.37 0.00 0.08 0.00 0.00 57.88 57.40 1div h LEU 35 Cb 0.89 -0.28 -0.14 0.00 1.08 0.00 0.00 40.66 42.21 1div h LEU 35 CO 0.01 0.96 -0.58 0.00 -1.08 0.00 0.00 178.44 177.75 1div s ALA 36 N -5.53 1.77 0.12 1.53 0.00 -1.24 0.90 121.76 119.30 1div s ALA 36 Ca -0.12 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.01 1div s ALA 36 Cb 0.15 1.18 -0.03 0.00 0.00 0.00 0.00 23.12 24.42 1div s ALA 36 CO 0.84 -0.51 0.11 -1.50 0.00 0.00 0.00 175.76 174.70 1div s ILE 37 N -3.73 0.12 0.14 0.00 1.10 0.16 -4.34 121.20 114.65 1div s ILE 37 Ca 0.37 -1.65 -0.31 0.00 -0.51 0.00 0.00 60.65 58.54 1div s ILE 37 Cb 0.06 -1.78 -0.10 0.00 0.15 0.00 0.00 42.46 40.79 1div s ILE 37 CO 0.16 -0.56 1.68 -1.61 -2.11 0.00 0.00 174.94 172.50 1div s GLU 38 N -3.97 4.17 -0.63 3.50 8.01 -1.26 -1.22 118.70 127.30 1div s GLU 38 Ca 0.16 2.46 -0.07 0.00 0.01 0.00 0.00 54.97 57.54 1div s GLU 38 Cb 0.06 -3.36 -0.16 0.00 -4.31 0.00 0.00 34.13 26.37 1div s GLU 38 CO -0.03 -0.73 2.91 0.00 0.01 0.00 0.00 175.26 177.42 1div n ALA 39 N 4.81 5.98 -1.78 5.21 0.00 -1.17 -4.70 120.51 128.86 1div n ALA 39 Ca 0.16 -2.20 -0.36 0.00 0.00 0.00 0.00 53.44 51.04 1div n ALA 39 Cb 0.38 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 1div n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1div s THR 40 N 1.93 3.40 -1.26 0.00 -4.23 -1.26 -4.85 115.64 109.37 1div s THR 40 Ca 0.57 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 1div s THR 40 Cb 0.21 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1div s THR 40 CO -0.02 -0.08 0.77 -0.81 -0.54 0.00 0.00 174.62 173.94 1div n PRO 41 N -0.63 0.00 -0.11 3.99 -0.04 -1.26 -1.13 135.00 135.82 1div n PRO 41 Ca 0.08 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.61 1div n PRO 41 Cb 0.50 -1.53 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 1div n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1div n ALA 42 N -1.27 0.94 1.38 0.55 0.00 -1.26 -3.50 120.51 117.34 1div n ALA 42 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 53.44 52.70 1div n ALA 42 Cb 0.03 -0.12 0.26 0.00 0.00 0.00 0.00 19.45 19.61 1div n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1div n ASN 43 N -4.38 0.00 -0.12 0.00 5.03 -0.58 -0.16 115.26 115.05 1div n ASN 43 Ca -0.37 -1.10 -0.20 0.00 0.87 0.00 0.00 54.58 53.78 1div n ASN 43 Cb 0.70 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.36 1div n ASN 43 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1div n LEU 44 N -0.70 2.57 -0.02 3.41 -0.00 -0.28 -3.67 117.00 118.31 1div n LEU 44 Ca 0.07 0.02 -0.18 0.00 -0.00 0.00 0.00 56.01 55.92 1div n LEU 44 Cb 0.03 -0.80 -0.07 0.00 -0.00 0.00 0.00 43.42 42.58 1div n LEU 44 CO 0.05 0.77 0.25 0.11 -0.00 0.00 0.00 177.39 178.57 1div h LYS 45 N -0.31 0.79 0.00 1.96 1.79 -1.47 -2.04 116.57 117.29 1div h LYS 45 Ca -0.57 -0.67 -0.02 0.00 -2.18 0.00 0.00 60.65 57.22 1div h LYS 45 Cb 1.73 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1div h LYS 45 CO -0.19 1.27 -0.08 0.00 -1.08 0.00 0.00 179.45 179.37 1div h ALA 46 N 0.54 1.31 0.02 3.86 0.00 -0.76 -0.90 119.26 123.32 1div h ALA 46 Ca -0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1div h ALA 46 Cb 1.44 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1div h ALA 46 CO 0.17 0.10 -0.21 1.25 0.00 0.00 0.00 179.25 180.55 1div h LEU 47 N 0.00 0.16 -0.72 0.00 5.85 -1.59 -3.25 115.31 115.75 1div h LEU 47 Ca -0.00 -0.86 0.16 0.00 0.84 0.00 0.00 57.88 58.01 1div h LEU 47 Cb 0.24 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 1div h LEU 47 CO 0.01 1.00 0.16 -0.08 -0.34 0.00 0.00 178.44 179.19 1div h GLU 48 N -0.66 0.24 -0.57 1.25 4.57 -0.48 -0.60 114.58 118.34 1div h GLU 48 Ca -0.03 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1div h GLU 48 Cb 1.05 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.53 1div h GLU 48 CO 0.04 0.16 0.25 0.00 -1.18 0.00 0.00 179.01 178.29 1div h ALA 49 N 1.60 0.73 -0.60 2.92 0.00 -1.32 0.13 119.26 122.73 1div h ALA 49 Ca 0.40 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1div h ALA 49 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1div h ALA 49 CO -0.51 -0.12 0.04 -0.56 0.00 0.00 0.00 179.25 178.10 1div h GLN 50 N 0.48 1.03 -0.35 0.00 3.07 -1.18 -0.21 115.11 117.94 1div h GLN 50 Ca 0.27 -0.31 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 1div h GLN 50 Cb 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.69 1div h GLN 50 CO -0.22 0.99 -0.12 0.87 0.09 0.00 0.00 178.83 180.44 1div h LYS 51 N 0.93 0.61 -0.13 0.06 1.57 -0.70 -0.09 116.57 118.82 1div h LYS 51 Ca 0.18 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1div h LYS 51 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1div h LYS 51 CO 0.02 0.72 -0.45 1.96 -0.57 0.00 0.00 179.45 181.14 1div h GLN 52 N 0.56 0.32 0.13 3.15 7.50 -0.20 -2.07 115.11 124.51 1div h GLN 52 Ca 0.10 -0.17 -0.28 0.00 0.50 0.00 0.00 58.65 58.80 1div h GLN 52 Cb 0.54 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.09 1div h GLN 52 CO 0.03 0.71 -1.23 1.57 -1.50 0.00 0.00 178.83 178.41 1div h LYS 53 N 0.26 0.39 -0.50 1.46 5.09 -0.59 -2.72 116.57 119.97 1div h LYS 53 Ca 0.02 -0.59 -0.02 0.00 0.09 0.00 0.00 60.65 60.15 1div h LYS 53 Cb 0.90 0.21 -0.02 0.00 0.10 0.00 0.00 32.23 33.41 1div h LYS 53 CO 0.07 1.26 0.24 0.93 -2.09 0.00 0.00 179.45 179.86 1div h GLU 54 N 0.14 0.69 -0.02 0.07 5.08 -0.93 -0.55 114.58 119.06 1div h GLU 54 Ca -0.15 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1div h GLU 54 Cb 1.93 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1div h GLU 54 CO 0.21 0.54 -0.68 0.37 -1.00 0.00 0.00 179.01 178.45 1div h GLN 55 N 0.69 0.10 -0.06 2.33 4.15 -1.39 -2.04 115.11 118.90 1div h GLN 55 Ca 0.17 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1div h GLN 55 Cb 0.07 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.78 1div h GLN 55 CO -0.02 0.75 -0.43 -0.09 -1.93 0.00 0.00 178.83 177.11 1div h ARG 56 N 0.07 0.40 0.48 1.69 2.43 -1.01 -3.13 114.38 115.31 1div h ARG 56 Ca -0.01 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1div h ARG 56 Cb 1.22 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1div h ARG 56 CO 0.10 0.99 -0.27 1.96 -1.51 0.00 0.00 179.97 181.23 1div h GLN 57 N -0.08 -0.68 -1.06 0.20 4.20 -1.14 -0.89 115.11 115.66 1div h GLN 57 Ca -0.03 0.05 0.31 0.00 0.06 0.00 0.00 58.65 59.03 1div h GLN 57 Cb 1.09 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 1div h GLN 57 CO 0.09 -0.46 0.76 0.00 -0.67 0.00 0.00 178.83 178.55 1div h ALA 58 N -0.22 2.97 0.04 3.87 0.00 -1.46 0.32 119.26 124.77 1div h ALA 58 Ca -0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1div h ALA 58 Cb 0.57 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1div h ALA 58 CO 0.07 -1.28 -1.26 0.00 0.00 0.00 0.00 179.25 176.78 1div h ALA 59 N 1.48 0.38 0.11 0.00 0.00 -1.30 -2.77 119.26 117.16 1div h ALA 59 Ca 0.51 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1div h ALA 59 Cb 2.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1div h ALA 59 CO -0.02 1.26 -0.05 0.93 0.00 0.00 0.00 179.25 181.36 1div h GLU 60 N 0.02 -0.15 -0.51 0.00 4.39 0.90 -2.35 114.58 116.89 1div h GLU 60 Ca -0.12 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.69 1div h GLU 60 Cb 1.89 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 30.47 1div h GLU 60 CO 0.14 0.24 -0.19 0.93 -1.16 0.00 0.00 179.01 178.97 1div h GLU 61 N -0.58 -0.07 -0.65 2.33 5.08 -1.12 0.23 114.58 119.80 1div h GLU 61 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1div h GLU 61 Cb 0.46 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1div h GLU 61 CO 0.03 -0.05 0.42 1.25 -1.00 0.00 0.00 179.01 179.66 1div h LEU 62 N -0.07 0.72 -1.18 1.33 7.12 -1.49 0.52 115.31 122.25 1div h LEU 62 Ca 0.24 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.19 1div h LEU 62 Cb 0.44 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 1div h LEU 62 CO -0.56 0.52 0.07 0.00 -0.13 0.00 0.00 178.44 178.34 1div h ALA 63 N 1.25 1.34 -0.02 1.25 0.00 -0.41 -1.12 119.26 121.54 1div h ALA 63 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1div h ALA 63 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1div h ALA 63 CO -0.07 0.46 -0.03 -0.91 0.00 0.00 0.00 179.25 178.70 1div h ASN 64 N 0.62 0.07 -0.93 0.00 2.35 0.54 -2.65 115.58 115.57 1div h ASN 64 Ca 0.14 -0.54 0.17 0.00 -0.55 0.00 0.00 56.30 55.52 1div h ASN 64 Cb 0.28 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.53 1div h ASN 64 CO 0.00 0.59 0.53 0.00 -1.65 0.00 0.00 177.43 176.90 1div h ALA 65 N 0.48 1.47 -0.38 -0.83 0.00 -0.58 0.18 119.26 119.60 1div h ALA 65 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1div h ALA 65 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1div h ALA 65 CO 0.01 -0.06 -0.07 0.87 0.00 0.00 0.00 179.25 180.00 1div h LYS 66 N 0.71 0.65 0.06 0.00 1.57 -1.14 0.05 116.57 118.46 1div h LYS 66 Ca 0.52 -0.19 -0.27 0.00 -1.87 0.00 0.00 60.65 58.85 1div h LYS 66 Cb 0.76 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 33.03 1div h LYS 66 CO -0.37 0.72 -1.08 1.57 -0.57 0.00 0.00 179.45 179.72 1div h LYS 67 N 0.60 0.63 -0.34 3.15 -0.00 -0.71 -3.19 116.57 116.72 1div h LYS 67 Ca 0.11 -0.75 -0.01 0.00 -0.00 0.00 0.00 60.65 60.00 1div h LYS 67 Cb 0.49 0.23 -0.02 0.00 -0.00 0.00 0.00 32.23 32.93 1div h LYS 67 CO 0.03 1.33 0.17 1.25 -0.00 0.00 0.00 179.45 182.22 1div h LEU 68 N 0.27 0.41 -1.41 7.07 5.85 -0.48 0.54 115.31 127.55 1div h LEU 68 Ca -0.15 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1div h LEU 68 Cb 1.75 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1div h LEU 68 CO 0.21 0.35 -0.30 0.50 -0.34 0.00 0.00 178.44 178.86 1div h LYS 69 N 0.47 0.00 0.04 1.25 3.64 -0.99 -2.11 116.57 118.86 1div h LYS 69 Ca 0.12 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.23 1div h LYS 69 Cb 0.04 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1div h LYS 69 CO -0.02 0.30 -1.09 0.93 -2.27 0.00 0.00 179.45 177.29 1div h GLU 70 N 0.00 0.63 0.12 1.90 5.08 -0.90 -2.80 114.58 118.60 1div h GLU 70 Ca -0.00 -0.73 -0.01 0.00 -1.00 0.00 0.00 59.36 57.63 1div h GLU 70 Cb 0.54 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1div h GLU 70 CO 0.04 1.31 -0.06 1.96 -1.00 0.00 0.00 179.01 181.26 1div h GLN 71 N 0.33 -0.15 -0.63 2.33 4.20 -1.11 -3.28 115.11 116.79 1div h GLN 71 Ca -0.14 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.65 1div h GLN 71 Cb 1.75 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.51 1div h GLN 71 CO 0.21 0.03 0.33 -0.07 -0.67 0.00 0.00 178.83 178.66 1div h LEU 72 N -0.31 0.46 0.00 1.46 3.38 -1.43 -2.04 115.31 116.83 1div h LEU 72 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1div h LEU 72 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1div h LEU 72 CO 0.03 0.29 0.00 -0.62 0.09 0.00 0.00 178.44 178.23 1div n GLU 73 N -4.85 0.48 -0.01 1.13 1.02 -1.06 -1.53 120.64 115.82 1div n GLU 73 Ca 0.08 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1div n GLU 73 Cb 0.19 -1.24 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 1div n GLU 73 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1div n LYS 74 N -0.74 0.43 -0.94 3.49 2.85 -0.77 -5.04 118.16 117.45 1div n LYS 74 Ca 0.05 -0.12 -0.19 0.00 -1.05 0.00 0.00 58.31 57.00 1div n LYS 74 Cb 0.03 -1.31 0.15 0.00 -0.65 0.00 0.00 35.03 33.24 1div n LYS 74 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1div n LEU 75 N -1.97 0.00 -3.17 -5.58 4.77 -0.58 -5.10 117.00 105.36 1div n LEU 75 Ca -0.03 -0.84 0.05 0.00 -0.03 0.00 0.00 56.01 55.16 1div n LEU 75 Cb 0.36 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1div n LEU 75 CO 0.28 -1.45 0.42 -0.89 -1.33 0.00 0.00 177.39 174.41 1div s THR 76 N -2.57 -0.61 0.23 -5.08 2.01 -1.26 -4.59 115.64 103.78 1div s THR 76 Ca 0.47 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 1div s THR 76 Cb -0.03 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.39 1div s THR 76 CO 0.35 0.00 0.90 -0.69 -0.69 0.00 0.00 174.62 174.49 1div s VAL 77 N 2.89 4.16 -0.29 3.82 1.01 -0.30 -4.92 120.40 126.76 1div s VAL 77 Ca 0.07 1.97 0.03 0.00 0.00 0.00 0.00 61.98 64.06 1div s VAL 77 Cb -0.12 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 32.09 1div s VAL 77 CO -0.15 0.46 -0.04 -0.89 0.00 0.00 0.00 175.10 174.48 1div s THR 78 N -1.22 2.19 -0.35 3.92 2.01 -1.26 0.08 115.64 121.01 1div s THR 78 Ca 0.41 -1.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.44 1div s THR 78 Cb -0.24 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 69.89 1div s THR 78 CO 0.30 -0.27 0.11 -0.63 -0.69 0.00 0.00 174.62 173.43 1div s ILE 79 N 1.03 3.42 0.45 1.82 1.01 0.24 -4.99 121.20 124.17 1div s ILE 79 Ca -0.01 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 58.97 1div s ILE 79 Cb -0.20 -3.06 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 1div s ILE 79 CO -0.06 -0.31 0.96 -2.16 0.00 0.00 0.00 174.94 173.37 1div s PRO 80 N 1.29 4.14 -0.03 2.79 0.04 -1.25 -1.68 135.00 140.30 1div s PRO 80 Ca -0.00 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1div s PRO 80 Cb -0.21 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.24 1div s PRO 80 CO -0.00 -0.11 0.70 0.00 0.04 0.00 0.00 177.00 177.63 1div s ALA 81 N -2.21 -1.76 -0.14 8.56 0.00 0.54 -4.83 121.76 121.93 1div s ALA 81 Ca 0.62 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 1div s ALA 81 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1div s ALA 81 CO 0.16 -0.43 1.44 0.15 0.00 0.00 0.00 175.76 177.08 1div s LYS 82 N -1.62 4.15 0.28 0.00 1.02 -1.26 -0.99 119.74 121.33 1div s LYS 82 Ca -0.08 1.83 0.04 0.00 0.02 0.00 0.00 55.97 57.78 1div s LYS 82 Cb -0.00 -3.88 -0.06 0.00 -0.52 0.00 0.00 37.83 33.37 1div s LYS 82 CO 0.05 -0.84 0.03 0.00 -0.92 0.00 0.00 175.35 173.67 1div s ALA 83 N 3.91 2.09 0.00 5.17 0.00 -1.26 -1.50 121.76 130.16 1div s ALA 83 Ca 0.63 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1div s ALA 83 Cb -0.26 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1div s ALA 83 CO 0.22 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1div n GLY 84 N -0.55 -0.63 2.90 0.00 0.00 -0.02 -4.93 105.19 101.96 1div n GLY 84 Ca -0.03 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1div n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1div n GLU 85 N -0.02 0.00 -3.04 1.61 4.71 -1.25 -2.43 120.64 120.22 1div n GLU 85 Ca 0.00 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.16 56.99 1div n GLU 85 Cb 0.00 -1.05 0.05 0.00 -1.01 0.00 0.00 31.44 29.43 1div n GLU 85 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1div n GLY 86 N 3.32 0.04 1.86 0.62 0.00 -1.26 -2.95 105.19 106.82 1div n GLY 86 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1div n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1div n GLY 87 N -1.29 2.43 3.73 -0.02 0.00 -1.02 -4.96 105.19 104.06 1div n GLY 87 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1div n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1div s ARG 88 N -0.47 4.28 0.67 1.61 1.81 -1.15 -1.57 118.95 124.13 1div s ARG 88 Ca 0.00 2.22 -0.13 0.00 -1.72 0.00 0.00 55.73 56.11 1div s ARG 88 Cb 0.00 -3.17 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 1div s ARG 88 CO 0.00 -0.45 1.07 -0.51 -0.68 0.00 0.00 175.30 174.73 1div s LEU 89 N 0.43 3.26 0.02 2.53 1.02 -1.07 -0.84 118.68 124.02 1div s LEU 89 Ca 0.63 1.75 -0.11 0.00 0.02 0.00 0.00 54.13 56.42 1div s LEU 89 Cb -0.40 -4.52 -0.32 0.00 0.02 0.00 0.00 46.19 40.97 1div s LEU 89 CO 0.36 -1.47 0.93 -0.26 0.02 0.00 0.00 176.35 175.93 1div h PHE 90 N -0.33 0.78 -1.68 0.29 -1.00 -1.62 -3.47 116.94 109.91 1div h PHE 90 Ca -0.45 -0.57 0.00 0.00 2.81 0.00 0.00 57.97 59.76 1div h PHE 90 Cb 1.22 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1div h PHE 90 CO 0.59 1.52 0.00 0.41 -1.61 0.00 0.00 178.31 179.23 1div n GLY 91 N 1.72 6.12 2.95 -1.45 0.00 -1.26 -5.14 105.19 108.13 1div n GLY 91 Ca -0.17 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 1div n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1div s SER 92 N 1.00 0.56 -0.30 1.61 1.04 -1.26 -4.76 113.70 111.58 1div s SER 92 Ca 0.00 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 1div s SER 92 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1div s SER 92 CO 0.00 0.04 0.84 -0.63 0.98 0.00 0.00 173.24 174.48 1div s ILE 93 N -0.17 4.74 0.28 -1.02 -1.09 -0.12 -4.92 121.20 118.90 1div s ILE 93 Ca 0.01 1.31 0.02 0.00 -2.23 0.00 0.00 60.65 59.76 1div s ILE 93 Cb -0.02 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 1div s ILE 93 CO -0.00 -0.28 0.13 0.35 -1.23 0.00 0.00 174.94 173.91 1div n THR 94 N 5.58 0.00 -0.17 2.92 -2.24 -1.26 -2.28 114.28 116.82 1div n THR 94 Ca 0.05 -1.18 0.16 0.00 -2.27 0.00 0.00 64.05 60.81 1div n THR 94 Cb 0.48 -0.06 0.51 0.00 -2.10 0.00 0.00 70.33 69.16 1div n THR 94 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1div h SER 95 N 0.46 0.38 -0.34 3.42 0.02 -1.92 -2.29 113.55 113.28 1div h SER 95 Ca -0.20 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 1div h SER 95 Cb 0.67 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 1div h SER 95 CO 0.32 0.19 -0.42 0.07 -1.14 0.00 0.00 176.83 175.85 1div h LYS 96 N 0.40 0.88 -0.06 3.45 -0.00 -1.96 -1.05 116.57 118.24 1div h LYS 96 Ca 0.38 -0.49 -0.00 0.00 -0.00 0.00 0.00 60.65 60.53 1div h LYS 96 Cb 0.89 0.03 -0.00 0.00 -0.00 0.00 0.00 32.23 33.15 1div h LYS 96 CO -0.12 1.14 0.02 1.96 -0.00 0.00 0.00 179.45 182.45 1div h GLN 97 N 0.67 0.09 -0.70 0.07 7.50 -1.84 -0.03 115.11 120.87 1div h GLN 97 Ca 0.04 -0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.23 1div h GLN 97 Cb 1.02 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.48 1div h GLN 97 CO 0.10 0.23 0.40 0.82 -1.50 0.00 0.00 178.83 178.88 1div h ILE 98 N -0.07 0.99 -0.62 2.54 2.04 -1.42 0.07 117.51 121.04 1div h ILE 98 Ca 0.02 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1div h ILE 98 Cb 0.18 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1div h ILE 98 CO -0.00 0.14 0.33 0.00 0.00 0.00 0.00 178.15 178.61 1div h ALA 99 N 1.35 0.80 -0.28 1.87 0.00 -0.94 -2.00 119.26 120.06 1div h ALA 99 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1div h ALA 99 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1div h ALA 99 CO -0.17 0.33 0.02 0.93 0.00 0.00 0.00 179.25 180.36 1div h GLU 100 N 0.85 0.48 0.00 0.00 5.08 -0.11 -1.92 114.58 118.95 1div h GLU 100 Ca 0.22 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1div h GLU 100 Cb 0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1div h GLU 100 CO -0.03 0.62 -0.19 0.77 -1.00 0.00 0.00 179.01 179.18 1div h SER 101 N 0.27 0.00 -0.06 1.42 0.02 -0.97 0.48 113.55 114.70 1div h SER 101 Ca 0.08 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1div h SER 101 Cb 0.39 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.94 1div h SER 101 CO 0.01 0.19 -0.48 0.25 -1.14 0.00 0.00 176.83 175.66 1div h LEU 102 N 0.00 0.53 0.34 5.07 5.85 -1.10 -0.99 115.31 125.02 1div h LEU 102 Ca -0.00 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 1div h LEU 102 Cb 0.48 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1div h LEU 102 CO 0.02 1.13 -0.16 -0.61 -0.34 0.00 0.00 178.44 178.48 1div h GLN 103 N -0.03 -0.44 -0.64 1.25 4.15 -0.93 0.94 115.11 119.41 1div h GLN 103 Ca -0.04 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1div h GLN 103 Cb 1.15 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 1div h GLN 103 CO 0.10 -0.17 0.28 0.00 -1.93 0.00 0.00 178.83 177.10 1div h ALA 104 N -0.09 0.85 0.00 3.38 0.00 -0.97 -0.79 119.26 121.63 1div h ALA 104 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1div h ALA 104 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1div h ALA 104 CO 0.08 -0.13 -1.37 1.04 0.00 0.00 0.00 179.25 178.86 1div n GLN 105 N -4.94 0.55 0.00 0.00 6.02 -0.38 -4.57 117.38 114.07 1div n GLN 105 Ca 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1div n GLN 105 Cb 0.26 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1div n GLN 105 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1div n HIS 106 N -2.36 0.00 -1.16 1.08 8.25 0.32 -5.00 115.22 116.35 1div n HIS 106 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 1div n HIS 106 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 1div n HIS 106 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1div n GLY 107 N 0.32 0.81 3.57 -1.41 0.00 -0.31 -5.00 105.19 103.17 1div n GLY 107 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1div n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1div s LEU 108 N -1.26 3.57 -0.45 0.99 1.43 -1.24 -4.98 118.68 116.74 1div s LEU 108 Ca 0.00 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1div s LEU 108 Cb 0.00 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.44 1div s LEU 108 CO 0.00 0.16 0.30 -0.75 0.23 0.00 0.00 176.35 176.29 1div s LYS 109 N 0.43 2.47 -0.02 1.70 2.20 -1.26 -2.45 119.74 122.80 1div s LYS 109 Ca 0.00 -1.67 0.05 0.00 -0.36 0.00 0.00 55.97 53.99 1div s LYS 109 Cb -0.13 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.32 1div s LYS 109 CO 0.01 -1.10 -0.18 -1.17 -0.36 0.00 0.00 175.35 172.56 1div s LEU 110 N 1.36 2.56 0.19 5.43 2.96 -1.26 -5.10 118.68 124.83 1div s LEU 110 Ca 0.05 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 1div s LEU 110 Cb -0.25 -1.50 -0.09 0.00 0.50 0.00 0.00 46.19 44.85 1div s LEU 110 CO -0.00 0.32 1.34 -0.62 -1.32 0.00 0.00 176.35 176.07 1div s ASP 111 N -0.85 6.85 0.58 3.68 -1.08 -1.26 -4.88 116.67 119.71 1div s ASP 111 Ca 0.12 2.43 0.39 0.00 -0.52 0.00 0.00 52.55 54.97 1div s ASP 111 Cb -0.10 -2.61 1.97 0.00 -1.46 0.00 0.00 42.92 40.71 1div s ASP 111 CO 0.01 -0.57 2.17 0.07 0.52 0.00 0.00 175.17 177.37 1div h LYS 112 N 5.53 0.00 0.00 4.34 2.10 -1.97 -1.83 116.57 124.74 1div h LYS 112 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1div h LYS 112 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1div h LYS 112 CO 0.79 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.24 1div h ARG 113 N 0.00 0.00 0.00 0.07 3.08 -1.94 -1.89 114.38 113.70 1div h ARG 113 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1div h ARG 113 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1div h ARG 113 CO 0.00 0.00 -0.61 0.87 -1.07 0.00 0.00 179.97 179.16 1div h LYS 114 N 0.00 0.00 -5.95 0.04 1.57 -1.61 -3.43 116.57 107.19 1div h LYS 114 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1div h LYS 114 Cb 0.21 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 1div h LYS 114 CO 0.00 0.00 0.95 0.42 -0.57 0.00 0.00 179.45 180.25 1div s ILE 115 N -3.20 4.00 -0.45 1.86 1.01 -0.71 -0.97 121.20 122.75 1div s ILE 115 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1div s ILE 115 Cb 0.12 -4.86 -0.13 0.00 0.01 0.00 0.00 42.46 37.60 1div s ILE 115 CO 0.72 -1.73 2.45 -0.62 0.00 0.00 0.00 174.94 175.76 1div n GLU 116 N 8.61 1.79 -2.67 2.79 1.02 -0.32 -4.91 120.64 126.95 1div n GLU 116 Ca 0.07 -1.06 -0.41 0.00 -0.02 0.00 0.00 57.16 55.74 1div n GLU 116 Cb 0.48 -2.12 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 1div n GLU 116 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1div s LEU 117 N 0.05 4.48 0.00 -4.62 2.96 -1.26 -4.55 118.68 115.74 1div s LEU 117 Ca 0.45 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1div s LEU 117 Cb 0.17 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1div s LEU 117 CO -0.02 -0.12 0.00 0.00 -1.32 0.00 0.00 176.35 174.89 1div n ALA 118 N 2.82 0.00 -2.37 5.97 0.00 -1.26 -4.92 120.51 120.75 1div n ALA 118 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1div n ALA 118 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 1div n ALA 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1div s ASP 119 N -1.00 7.24 0.11 0.00 1.11 -1.26 -5.00 116.67 117.87 1div s ASP 119 Ca 0.00 1.48 -0.34 0.00 0.18 0.00 0.00 52.55 53.86 1div s ASP 119 Cb 0.00 -2.48 -0.14 0.00 1.07 0.00 0.00 42.92 41.37 1div s ASP 119 CO 0.00 0.02 1.59 0.00 1.18 0.00 0.00 175.17 177.96 1div n ALA 120 N 2.73 0.98 -1.68 5.23 0.00 -1.26 -4.89 120.51 121.63 1div n ALA 120 Ca -0.02 0.43 -0.45 0.00 0.00 0.00 0.00 53.44 53.40 1div n ALA 120 Cb 0.50 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 1div n ALA 120 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1div n ILE 121 N 3.53 0.52 -2.17 0.00 5.41 -0.97 -4.79 119.36 120.89 1div n ILE 121 Ca 0.18 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.79 1div n ILE 121 Cb 0.27 -2.03 0.08 0.00 -0.71 0.00 0.00 39.64 37.26 1div n ILE 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1div n ARG 122 N 6.28 1.86 -3.56 0.38 1.74 -1.26 -0.94 116.66 121.16 1div n ARG 122 Ca 0.20 -3.32 -0.17 0.00 -0.77 0.00 0.00 57.85 53.79 1div n ARG 122 Cb 0.35 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1div n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1div s ALA 123 N -2.77 -1.66 0.55 7.54 0.00 -1.26 -2.61 121.76 121.55 1div s ALA 123 Ca 0.39 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 53.43 1div s ALA 123 Cb 0.38 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1div s ALA 123 CO -0.05 -0.35 1.22 -0.51 0.00 0.00 0.00 175.76 176.06 1div s LEU 124 N -1.02 3.79 0.00 0.00 1.02 -0.61 -4.86 118.68 117.01 1div s LEU 124 Ca -0.10 2.42 0.00 0.00 0.02 0.00 0.00 54.13 56.48 1div s LEU 124 Cb -0.01 -4.45 0.00 0.00 0.02 0.00 0.00 46.19 41.74 1div s LEU 124 CO 0.08 -1.40 0.00 0.61 0.02 0.00 0.00 176.35 175.66 1div n GLY 125 N 0.51 0.87 3.57 -3.19 0.00 -0.42 -4.98 105.19 101.55 1div n GLY 125 Ca 0.11 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1div n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1div s TYR 126 N -2.32 2.96 -0.03 1.61 2.02 -1.26 -0.45 117.35 119.87 1div s TYR 126 Ca 0.00 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 1div s TYR 126 Cb 0.00 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1div s TYR 126 CO 0.00 0.28 0.06 0.99 -1.57 0.00 0.00 175.55 175.31 1div s THR 127 N -0.64 -0.09 -0.44 -0.71 2.01 0.26 -4.98 115.64 111.05 1div s THR 127 Ca 0.10 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.18 1div s THR 127 Cb -0.12 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 72.29 1div s THR 127 CO 0.02 0.13 0.79 0.20 -0.69 0.00 0.00 174.62 175.07 1div s ASN 128 N 1.61 6.43 -0.16 3.53 0.01 -1.26 -0.12 114.94 124.99 1div s ASN 128 Ca -0.02 -0.06 -0.08 0.00 -0.71 0.00 0.00 52.86 51.99 1div s ASN 128 Cb -0.12 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1div s ASN 128 CO -0.03 -0.91 0.12 -0.69 -1.51 0.00 0.00 177.10 174.08 1div s VAL 129 N 3.30 5.31 0.38 1.60 1.01 0.86 -4.89 120.40 127.97 1div s VAL 129 Ca 0.30 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1div s VAL 129 Cb -0.12 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1div s VAL 129 CO 0.22 0.53 0.96 -2.84 0.00 0.00 0.00 175.10 173.97 1div s PRO 130 N -0.31 4.37 -0.10 2.72 0.02 -1.26 0.34 135.00 140.77 1div s PRO 130 Ca 0.11 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.39 1div s PRO 130 Cb -0.12 -2.49 0.02 0.00 0.02 0.00 0.00 34.50 31.93 1div s PRO 130 CO 0.01 0.09 -0.09 0.08 -0.33 0.00 0.00 177.00 176.76 1div s VAL 131 N -1.87 1.05 -0.90 3.83 1.01 0.12 -1.17 120.40 122.47 1div s VAL 131 Ca 0.56 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1div s VAL 131 Cb -0.15 -1.04 0.17 0.00 0.00 0.00 0.00 36.38 35.36 1div s VAL 131 CO 0.20 0.36 0.99 -0.75 0.00 0.00 0.00 175.10 175.90 1div s LYS 132 N 1.48 3.63 0.36 2.72 2.47 -0.14 -0.61 119.74 129.66 1div s LYS 132 Ca 0.01 -2.12 0.19 0.00 -1.56 0.00 0.00 55.97 52.49 1div s LYS 132 Cb -0.13 -4.71 0.35 0.00 -1.46 0.00 0.00 37.83 31.87 1div s LYS 132 CO -0.06 -1.56 1.58 -0.07 0.16 0.00 0.00 175.35 175.40 1div h LEU 133 N 9.20 0.00 -7.00 5.43 3.38 -1.17 -3.44 115.31 121.71 1div h LEU 133 Ca 0.14 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1div h LEU 133 Cb 1.02 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 1div h LEU 133 CO 0.96 0.31 0.51 -2.28 0.09 0.00 0.00 178.44 178.03 1div s HIS 134 N -3.18 -0.34 0.44 1.13 5.04 -0.31 -4.91 115.29 113.15 1div s HIS 134 Ca 0.04 0.27 0.30 0.00 -1.54 0.00 0.00 55.06 54.13 1div s HIS 134 Cb 0.08 0.52 1.43 0.00 0.04 0.00 0.00 32.58 34.65 1div s HIS 134 CO 0.70 -0.50 1.61 -1.35 -2.34 0.00 0.00 174.74 172.86 1div h PRO 135 N 2.08 0.07 0.00 2.88 0.11 -2.02 0.13 132.00 135.25 1div h PRO 135 Ca -0.21 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 1div h PRO 135 Cb 1.23 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1div h PRO 135 CO 0.31 0.04 -0.46 -0.85 -0.21 0.00 0.00 178.00 176.83 1div n GLU 136 N -4.73 1.08 -3.61 1.05 0.28 -1.26 -4.98 120.64 108.48 1div n GLU 136 Ca 0.38 -2.67 -0.26 0.00 -0.16 0.00 0.00 57.16 54.44 1div n GLU 136 Cb 1.45 -1.20 -0.17 0.00 1.43 0.00 0.00 31.44 32.96 1div n GLU 136 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1div s VAL 137 N -2.27 -0.06 -0.04 3.84 1.01 0.46 -5.12 120.40 118.22 1div s VAL 137 Ca 0.32 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1div s VAL 137 Cb 0.31 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1div s VAL 137 CO -0.05 -0.33 -0.21 -0.89 0.00 0.00 0.00 175.10 173.61 1div s THR 138 N 2.12 1.74 0.25 3.92 2.01 -1.26 -0.64 115.64 123.79 1div s THR 138 Ca 0.03 -0.91 0.11 0.00 0.31 0.00 0.00 61.69 61.22 1div s THR 138 Cb -0.16 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1div s THR 138 CO -0.12 0.49 -0.18 0.00 -0.69 0.00 0.00 174.62 174.12 1div s ALA 139 N -0.26 2.48 -0.33 7.40 0.00 0.22 -4.91 121.76 126.36 1div s ALA 139 Ca 0.02 -1.79 -0.12 0.00 0.00 0.00 0.00 51.96 50.07 1div s ALA 139 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1div s ALA 139 CO 0.01 0.22 0.22 0.99 0.00 0.00 0.00 175.76 177.20 1div s THR 140 N -2.61 5.15 -0.25 0.00 2.01 -1.26 0.16 115.64 118.83 1div s THR 140 Ca 0.27 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 1div s THR 140 Cb -0.04 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1div s THR 140 CO 0.12 0.03 0.30 -0.22 -0.69 0.00 0.00 174.62 174.16 1div s LEU 141 N 1.70 4.08 -0.21 4.42 2.96 0.15 -4.33 118.68 127.45 1div s LEU 141 Ca 0.06 0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.99 1div s LEU 141 Cb -0.17 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1div s LEU 141 CO 0.10 -0.08 0.72 -0.75 -1.32 0.00 0.00 176.35 175.02 1div s LYS 142 N 1.61 4.21 -0.12 1.98 2.20 -1.26 -0.10 119.74 128.26 1div s LYS 142 Ca 0.13 0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 56.49 1div s LYS 142 Cb -0.15 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1div s LYS 142 CO 0.08 -0.36 -0.05 0.08 -0.36 0.00 0.00 175.35 174.75 1div s VAL 143 N 2.29 3.81 -0.27 4.02 1.01 0.83 -1.14 120.40 130.95 1div s VAL 143 Ca 0.32 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1div s VAL 143 Cb -0.16 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 33.67 1div s VAL 143 CO 0.10 0.54 -0.06 -2.28 0.00 0.00 0.00 175.10 173.40 1div s HIS 144 N -0.17 3.03 -0.33 5.22 2.46 0.11 -0.57 115.29 125.04 1div s HIS 144 Ca 0.03 -2.24 -0.16 0.00 0.47 0.00 0.00 55.06 53.16 1div s HIS 144 Cb -0.13 -1.97 -0.02 0.00 -0.13 0.00 0.00 32.58 30.33 1div s HIS 144 CO 0.03 -0.86 0.39 0.08 -2.47 0.00 0.00 174.74 171.91 1div s VAL 145 N 1.18 5.14 -0.01 0.89 1.01 0.40 -0.59 120.40 128.42 1div s VAL 145 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1div s VAL 145 Cb -0.19 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1div s VAL 145 CO -0.07 -0.06 -0.05 0.42 0.00 0.00 0.00 175.10 175.34 1div s THR 146 N 2.10 3.77 0.02 3.92 -4.23 -0.68 -1.31 115.64 119.23 1div s THR 146 Ca 0.14 -0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 59.66 1div s THR 146 Cb -0.16 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1div s THR 146 CO 0.12 0.42 1.34 -0.70 -0.54 0.00 0.00 174.62 175.26 1div s GLU 147 N -1.34 4.32 0.27 3.99 2.12 -1.25 0.20 118.70 127.00 1div s GLU 147 Ca 0.17 1.91 0.03 0.00 0.36 0.00 0.00 54.97 57.44 1div s GLU 147 Cb -0.11 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.81 1div s GLU 147 CO 0.07 -0.50 0.26 0.00 -0.54 0.00 0.00 175.26 174.56 1div n GLN 148 N 4.97 1.00 -0.86 4.30 10.64 -0.16 -4.72 117.38 132.55 1div n GLN 148 Ca 0.12 -1.60 0.00 0.00 -1.83 0.00 0.00 57.00 53.69 1div n GLN 148 Cb 0.44 0.07 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 1div n GLN 148 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86