#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awb s GLN 2 N 0.00 0.65 0.17 3.17 0.00 -1.26 -0.46 119.66 121.92 2awb s GLN 2 Ca 0.00 -0.74 -0.12 0.00 -0.00 0.00 0.00 55.36 54.49 2awb s GLN 2 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 33.01 33.28 2awb s GLN 2 CO 0.00 -0.17 0.37 0.14 0.00 0.00 0.00 175.29 175.63 2awb s VAL 3 N -2.74 0.06 0.45 3.63 -7.23 -1.26 -4.80 120.40 108.50 2awb s VAL 3 Ca -0.04 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.96 2awb s VAL 3 Cb -0.00 -1.67 0.11 0.00 0.56 0.00 0.00 36.38 35.38 2awb s VAL 3 CO -0.05 -0.26 0.37 2.30 -0.31 0.00 0.00 175.10 177.15 2awb n ILE 4 N -0.25 0.00 -4.20 -0.62 -0.00 -1.21 -3.21 119.36 109.87 2awb n ILE 4 Ca -0.09 -0.14 -0.10 0.00 -0.00 0.00 0.00 62.75 62.42 2awb n ILE 4 Cb 0.63 -0.94 -0.03 0.00 -0.00 0.00 0.00 39.64 39.29 2awb n ILE 4 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2awb n LEU 5 N 0.00 0.00 0.00 7.28 7.99 -1.18 -4.75 117.00 126.34 2awb n LEU 5 Ca 0.05 -1.27 0.00 0.00 -0.01 0.00 0.00 56.01 54.79 2awb n LEU 5 Cb 0.21 0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 2awb n LEU 5 CO 0.14 -0.20 0.00 0.18 -1.51 0.00 0.00 177.39 176.01 2awb n LEU 6 N 0.00 0.00 0.00 2.23 4.77 -1.26 -4.29 117.00 118.45 2awb n LEU 6 Ca -0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2awb n LEU 6 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2awb n LEU 6 CO 0.13 0.33 0.00 0.47 -1.33 0.00 0.00 177.39 176.99 2awb n ASP 7 N 0.00 0.00 -4.34 -1.43 9.92 -1.26 -4.88 116.55 114.56 2awb n ASP 7 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 2awb n ASP 7 Cb 0.32 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.65 2awb n ASP 7 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2awb s LYS 8 N 1.08 1.79 -0.11 -1.24 2.47 -1.23 -1.12 119.74 121.38 2awb s LYS 8 Ca 0.00 -1.10 -0.09 0.00 -1.56 0.00 0.00 55.97 53.22 2awb s LYS 8 Cb 0.00 -1.95 0.03 0.00 -1.46 0.00 0.00 37.83 34.45 2awb s LYS 8 CO 0.00 0.51 0.28 0.14 0.16 0.00 0.00 175.35 176.44 2awb s VAL 9 N -0.80 -0.00 -0.55 4.02 -7.23 -0.93 -5.00 120.40 109.89 2awb s VAL 9 Ca 0.11 0.02 -0.31 0.00 -1.81 0.00 0.00 61.98 59.99 2awb s VAL 9 Cb -0.10 -0.40 -0.13 0.00 0.56 0.00 0.00 36.38 36.32 2awb s VAL 9 CO 0.02 0.01 2.39 0.00 -0.31 0.00 0.00 175.10 177.21 2awb n ALA 10 N 3.10 0.80 0.00 1.32 0.00 -1.26 -4.12 120.51 120.35 2awb n ALA 10 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2awb n ALA 10 Cb 0.57 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2awb n ALA 10 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2awb n ASN 11 N 11.96 0.00 -4.56 0.00 6.94 -1.26 -4.97 115.26 123.37 2awb n ASN 11 Ca 0.46 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.64 2awb n ASN 11 Cb 0.28 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 2awb n ASN 11 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2awb s LEU 12 N 0.00 3.37 -0.48 -4.53 0.20 -1.26 -4.60 118.68 111.37 2awb s LEU 12 Ca 0.00 0.82 0.06 0.00 0.69 0.00 0.00 54.13 55.71 2awb s LEU 12 Cb 0.00 -2.67 0.25 0.00 -0.43 0.00 0.00 46.19 43.34 2awb s LEU 12 CO 0.00 -2.50 0.90 0.61 -0.29 0.00 0.00 176.35 175.07 2awb n GLY 13 N 5.80 0.15 3.90 7.98 0.00 -1.26 -4.72 105.19 117.05 2awb n GLY 13 Ca 0.28 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 2awb n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2awb s SER 14 N -1.65 5.61 -0.28 1.61 0.01 -1.26 -2.20 113.70 115.54 2awb s SER 14 Ca 0.31 0.92 -0.33 0.00 1.31 0.00 0.00 55.95 58.16 2awb s SER 14 Cb 0.24 -1.86 -0.10 0.00 0.21 0.00 0.00 66.02 64.51 2awb s SER 14 CO -0.23 -1.13 2.16 -0.11 0.41 0.00 0.00 173.24 174.35 2awb n LEU 15 N -2.73 2.59 -1.03 2.44 7.94 -0.28 -3.11 117.00 122.82 2awb n LEU 15 Ca 0.05 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2awb n LEU 15 Cb 0.57 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2awb n LEU 15 CO 0.55 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.79 2awb n GLY 16 N 6.08 0.14 3.07 -3.96 0.00 -1.26 -4.96 105.19 104.30 2awb n GLY 16 Ca 0.36 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2awb n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2awb s ASP 17 N -2.07 -0.21 -0.74 1.61 1.11 -1.18 -4.88 116.67 110.32 2awb s ASP 17 Ca 0.00 0.40 0.04 0.00 0.18 0.00 0.00 52.55 53.17 2awb s ASP 17 Cb 0.00 0.39 0.23 0.00 1.07 0.00 0.00 42.92 44.62 2awb s ASP 17 CO 0.00 -0.08 0.78 0.00 1.18 0.00 0.00 175.17 177.05 2awb n GLN 18 N 3.12 2.60 -3.61 8.23 10.64 -1.24 -3.08 117.38 134.05 2awb n GLN 18 Ca -0.14 -4.60 -0.10 0.00 -1.83 0.00 0.00 57.00 50.33 2awb n GLN 18 Cb 0.58 -2.31 -0.03 0.00 -0.86 0.00 0.00 30.24 27.61 2awb n GLN 18 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2awb s VAL 19 N -2.14 0.02 -0.92 -0.39 0.11 -1.20 -4.44 120.40 111.44 2awb s VAL 19 Ca 0.34 -0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 58.84 2awb s VAL 19 Cb 0.07 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2awb s VAL 19 CO -0.05 -0.11 0.63 -3.20 -3.33 0.00 0.00 175.10 169.05 2awb n ASN 20 N -0.34 -4.87 -4.67 3.54 5.15 -1.26 -4.44 115.26 108.36 2awb n ASN 20 Ca -0.13 -1.00 -0.26 0.00 -0.60 0.00 0.00 54.58 52.59 2awb n ASN 20 Cb 0.63 -1.94 -0.09 0.00 -0.53 0.00 0.00 39.78 37.85 2awb n ASN 20 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2awb s VAL 21 N -3.13 2.19 0.28 3.44 -7.23 0.39 -4.88 120.40 111.45 2awb s VAL 21 Ca 0.13 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.53 2awb s VAL 21 Cb -0.07 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2awb s VAL 21 CO 0.90 -0.02 0.12 -0.54 -0.31 0.00 0.00 175.10 175.25 2awb s LYS 22 N -3.80 2.59 0.95 4.82 -0.14 -1.26 -3.24 119.74 119.65 2awb s LYS 22 Ca 0.38 -1.28 -0.13 0.00 -1.36 0.00 0.00 55.97 53.57 2awb s LYS 22 Cb 0.06 -2.35 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 2awb s LYS 22 CO 0.20 0.33 0.27 0.00 -0.76 0.00 0.00 175.35 175.38 2awb n ALA 23 N -1.08 -2.90 -3.69 5.17 0.00 -1.26 -2.91 120.51 113.84 2awb n ALA 23 Ca -0.06 -0.60 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2awb n ALA 23 Cb 0.59 -1.72 0.04 0.00 0.00 0.00 0.00 19.45 18.35 2awb n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2awb n GLY 24 N 1.74 -0.84 3.53 0.00 0.00 -1.26 -4.53 105.19 103.82 2awb n GLY 24 Ca 0.06 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 2awb n GLY 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2awb n TYR 25 N -4.16 0.91 0.00 1.61 0.18 -1.15 -4.53 117.16 110.02 2awb n TYR 25 Ca -0.14 0.16 0.00 0.00 1.88 0.00 0.00 57.90 59.80 2awb n TYR 25 Cb 0.61 -2.25 0.00 0.00 -0.38 0.00 0.00 39.34 37.32 2awb n TYR 25 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2awb n ALA 26 N 13.29 0.00 -0.37 -3.48 0.00 -1.26 -4.67 120.51 124.01 2awb n ALA 26 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2awb n ALA 26 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2awb n ALA 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2awb n ARG 27 N 0.00 0.00 0.00 0.00 0.63 -1.26 -4.13 116.66 111.89 2awb n ARG 27 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2awb n ARG 27 Cb 0.00 -3.96 0.00 0.00 0.45 0.00 0.00 32.46 28.95 2awb n ARG 27 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2awb n ASN 28 N 0.00 0.00 0.00 6.15 3.02 -1.26 -4.80 115.26 118.37 2awb n ASN 28 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2awb n ASN 28 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2awb n ASN 28 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2awb n PHE 29 N 0.00 0.00 0.00 3.10 7.35 -1.26 -4.88 117.46 121.77 2awb n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2awb n PHE 29 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2awb n PHE 29 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2awb n LEU 30 N 0.00 0.00 -0.04 -2.13 -0.00 -1.26 -1.67 117.00 111.90 2awb n LEU 30 Ca 0.00 0.10 -0.09 0.00 -0.00 0.00 0.00 56.01 56.02 2awb n LEU 30 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.29 2awb n LEU 30 CO 0.00 -0.10 -0.62 0.52 -0.00 0.00 0.00 177.39 177.18 2awb n VAL 31 N -0.97 1.05 0.00 1.47 0.31 -1.11 -2.23 118.33 116.84 2awb n VAL 31 Ca 0.00 0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2awb n VAL 31 Cb 0.20 -1.81 -0.00 0.00 -0.91 0.00 0.00 33.84 31.31 2awb n VAL 31 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2awb h PRO 32 N -0.47 -0.00 -6.23 5.55 0.11 -1.49 -3.33 132.00 126.14 2awb h PRO 32 Ca -0.16 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.42 2awb h PRO 32 Cb 0.87 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 2awb h PRO 32 CO -0.10 -0.00 1.15 -0.65 -0.21 0.00 0.00 178.00 178.20 2awb s GLN 33 N -1.83 3.08 0.00 1.05 -1.52 -0.67 -4.75 119.66 115.02 2awb s GLN 33 Ca -0.00 -0.13 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 2awb s GLN 33 Cb 0.00 -4.36 0.00 0.00 -0.22 0.00 0.00 33.01 28.43 2awb s GLN 33 CO 0.00 -2.32 0.00 0.41 -0.25 0.00 0.00 175.29 173.13 2awb n GLY 34 N 5.63 0.86 3.15 3.09 0.00 -1.26 -4.35 105.19 112.30 2awb n GLY 34 Ca 0.11 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 2awb n GLY 34 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2awb n LYS 35 N 0.00 -3.73 -3.28 1.61 -0.00 -1.26 -4.80 118.16 106.70 2awb n LYS 35 Ca 0.00 -1.10 -0.09 0.00 -0.00 0.00 0.00 58.31 57.11 2awb n LYS 35 Cb 0.00 -1.75 -0.00 0.00 -0.00 0.00 0.00 35.03 33.27 2awb n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2awb n ALA 36 N -5.23 -0.72 0.17 0.58 0.00 -0.95 -2.77 120.51 111.60 2awb n ALA 36 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2awb n ALA 36 Cb 0.49 0.90 0.00 0.00 0.00 0.00 0.00 19.45 20.84 2awb n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2awb n VAL 37 N -0.43 0.00 -2.81 0.00 0.31 -1.26 -4.56 118.33 109.57 2awb n VAL 37 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 2awb n VAL 37 Cb 0.45 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2awb n VAL 37 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2awb n PRO 38 N -3.29 -0.29 0.32 5.55 -0.02 -1.26 -4.76 135.00 131.25 2awb n PRO 38 Ca 0.00 -0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2awb n PRO 38 Cb 0.00 -0.11 -0.07 0.00 -0.02 0.00 0.00 33.50 33.30 2awb n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2awb h ALA 39 N 1.33 -1.18 -1.11 3.55 0.00 -1.96 -3.43 119.26 116.47 2awb h ALA 39 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2awb h ALA 39 Cb 0.15 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2awb h ALA 39 CO 0.04 -1.14 0.00 0.25 0.00 0.00 0.00 179.25 178.40 2awb n THR 40 N -4.51 0.00 -0.08 0.00 -2.24 -1.26 -3.16 114.28 103.02 2awb n THR 40 Ca -0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2awb n THR 40 Cb 0.35 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 2awb n THR 40 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2awb n LYS 41 N -0.81 0.68 0.02 -0.78 2.85 -1.26 -4.36 118.16 114.49 2awb n LYS 41 Ca 0.00 0.08 -0.14 0.00 -1.05 0.00 0.00 58.31 57.20 2awb n LYS 41 Cb 0.00 -1.59 -0.14 0.00 -0.65 0.00 0.00 35.03 32.65 2awb n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2awb h LYS 42 N 0.00 0.13 0.00 -1.58 3.11 -1.96 -3.25 116.57 113.03 2awb h LYS 42 Ca -0.49 -0.23 -0.05 0.00 -2.81 0.00 0.00 60.65 57.07 2awb h LYS 42 Cb 2.17 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 33.48 2awb h LYS 42 CO 0.04 0.88 -0.25 -0.91 -2.81 0.00 0.00 179.45 176.39 2awb h ASN 43 N 0.04 0.00 0.64 4.20 2.35 -1.78 -2.75 115.58 118.28 2awb h ASN 43 Ca -0.28 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.20 2awb h ASN 43 Cb 2.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.33 2awb h ASN 43 CO 0.11 0.25 -1.50 0.16 -1.65 0.00 0.00 177.43 174.81 2awb h ILE 44 N 0.00 1.08 -0.58 2.81 3.07 -1.71 -2.92 117.51 119.25 2awb h ILE 44 Ca -0.00 -2.89 0.17 0.00 1.55 0.00 0.00 64.86 63.69 2awb h ILE 44 Cb 0.73 2.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.79 2awb h ILE 44 CO 0.03 0.62 0.57 -0.08 -1.05 0.00 0.00 178.15 178.24 2awb h GLU 45 N 0.00 0.00 0.00 0.16 4.81 -1.51 0.70 114.58 118.73 2awb h GLU 45 Ca -0.20 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.79 2awb h GLU 45 Cb 1.93 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.28 2awb h GLU 45 CO 0.09 0.00 -1.71 0.34 -0.73 0.00 0.00 179.01 177.01 2awb n PHE 46 N -3.77 0.00 -0.02 0.92 7.35 -1.22 -4.29 117.46 116.43 2awb n PHE 46 Ca 0.11 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 2awb n PHE 46 Cb 0.79 -0.63 -0.03 0.00 0.35 0.00 0.00 39.48 39.97 2awb n PHE 46 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2awb h PHE 47 N -0.75 -0.15 -0.21 -5.13 3.57 -1.30 -0.24 116.94 112.73 2awb h PHE 47 Ca -0.36 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.22 2awb h PHE 47 Cb 1.23 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2awb h PHE 47 CO -0.15 -0.11 0.27 1.49 -2.23 0.00 0.00 178.31 177.59 2awb h GLU 48 N -0.04 0.00 0.00 1.11 4.57 0.18 0.51 114.58 120.91 2awb h GLU 48 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2awb h GLU 48 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2awb h GLU 48 CO -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.64 2awb h ALA 49 N 1.65 1.00 -0.40 2.92 0.00 -1.14 -2.72 119.26 120.56 2awb h ALA 49 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2awb h ALA 49 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2awb h ALA 49 CO -0.00 0.00 0.10 0.07 0.00 0.00 0.00 179.25 179.42 2awb h ARG 50 N 0.00 0.59 0.01 0.00 0.11 0.04 -2.51 114.38 112.61 2awb h ARG 50 Ca 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2awb h ARG 50 Cb 0.31 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 2awb h ARG 50 CO 0.00 0.54 -0.05 -0.09 0.10 0.00 0.00 179.97 180.46 2awb h ARG 51 N 0.57 -0.07 0.06 0.08 2.43 -1.65 -1.33 114.38 114.48 2awb h ARG 51 Ca 0.13 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2awb h ARG 51 Cb 0.21 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 2awb h ARG 51 CO -0.00 -0.05 -0.37 0.00 -1.51 0.00 0.00 179.97 178.04 2awb h ALA 52 N -1.44 -0.60 -0.56 2.80 0.00 -1.73 -2.85 119.26 114.88 2awb h ALA 52 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2awb h ALA 52 Cb 0.07 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2awb h ALA 52 CO -0.03 -0.91 0.16 1.49 0.00 0.00 0.00 179.25 179.96 2awb h GLU 53 N -0.56 0.84 -0.46 0.00 4.22 -1.47 -2.94 114.58 114.20 2awb h GLU 53 Ca 0.04 -0.16 -0.07 0.00 0.08 0.00 0.00 59.36 59.25 2awb h GLU 53 Cb 0.62 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2awb h GLU 53 CO -0.25 0.74 -0.01 -0.07 -2.18 0.00 0.00 179.01 177.23 2awb h LEU 54 N 0.81 0.74 -2.69 1.64 3.38 -1.20 -2.36 115.31 115.63 2awb h LEU 54 Ca 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2awb h LEU 54 Cb 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2awb h LEU 54 CO -0.01 0.81 0.10 -0.08 0.09 0.00 0.00 178.44 179.36 2awb h GLU 55 N 0.72 0.00 0.16 1.13 4.81 -1.31 -1.65 114.58 118.43 2awb h GLU 55 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2awb h GLU 55 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2awb h GLU 55 CO 0.02 0.00 -0.08 0.00 -0.73 0.00 0.00 179.01 178.22 2awb h ALA 56 N 1.80 -0.23 -0.32 2.92 0.00 -1.50 -0.21 119.26 121.72 2awb h ALA 56 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2awb h ALA 56 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2awb h ALA 56 CO -0.00 -0.22 0.27 0.87 0.00 0.00 0.00 179.25 180.17 2awb h LYS 57 N -0.98 0.00 0.00 0.00 1.57 -1.55 0.37 116.57 115.98 2awb h LYS 57 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2awb h LYS 57 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2awb h LYS 57 CO 0.04 0.00 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.27 2awb h LEU 58 N 0.00 0.00 0.22 2.94 -0.00 -1.37 -3.35 115.31 113.75 2awb h LEU 58 Ca 0.15 -0.02 -0.34 0.00 -0.00 0.00 0.00 57.88 57.67 2awb h LEU 58 Cb 0.68 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.37 2awb h LEU 58 CO -0.00 0.01 -1.58 0.00 -0.00 0.00 0.00 178.44 176.87 2awb h ALA 59 N 2.08 -0.01 -0.76 1.53 0.00 0.16 -3.36 119.26 118.90 2awb h ALA 59 Ca 0.00 -0.99 0.13 0.00 0.00 0.00 0.00 54.91 54.06 2awb h ALA 59 Cb 0.96 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2awb h ALA 59 CO 0.00 0.86 0.33 0.93 0.00 0.00 0.00 179.25 181.37 2awb h GLU 60 N 0.13 0.49 -0.02 0.00 4.39 -1.38 0.58 114.58 118.76 2awb h GLU 60 Ca -0.29 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.39 2awb h GLU 60 Cb 2.13 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.67 2awb h GLU 60 CO 0.23 0.32 0.06 -0.39 -1.16 0.00 0.00 179.01 178.07 2awb h VAL 61 N 0.50 0.16 -0.14 3.13 -1.51 -1.73 0.25 116.25 116.91 2awb h VAL 61 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.88 2awb h VAL 61 Cb 0.59 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2awb h VAL 61 CO -0.37 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.15 2awb n LEU 62 N -3.29 2.30 -0.02 4.19 4.77 0.15 -4.00 117.00 121.11 2awb n LEU 62 Ca -0.02 -1.36 -0.02 0.00 -0.03 0.00 0.00 56.01 54.58 2awb n LEU 62 Cb 0.14 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2awb n LEU 62 CO 0.21 0.50 -0.15 0.00 -1.33 0.00 0.00 177.39 176.62 2awb n ALA 63 N 0.60 0.20 -0.06 -1.18 0.00 0.14 -4.09 120.51 116.11 2awb n ALA 63 Ca 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 2awb n ALA 63 Cb 0.34 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 2awb n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2awb h ALA 64 N -1.78 0.33 -0.00 0.00 0.00 -1.61 -3.32 119.26 112.88 2awb h ALA 64 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2awb h ALA 64 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2awb h ALA 64 CO 0.00 0.41 -0.46 0.00 0.00 0.00 0.00 179.25 179.20 2awb n ALA 65 N -2.51 3.50 -0.91 0.00 0.00 -1.25 -4.06 120.51 115.27 2awb n ALA 65 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2awb n ALA 65 Cb 0.52 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2awb n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2awb n ASN 66 N -1.10 0.00 -0.02 0.00 5.15 -1.25 -3.23 115.26 114.82 2awb n ASN 66 Ca 0.08 0.55 0.04 0.00 -0.60 0.00 0.00 54.58 54.65 2awb n ASN 66 Cb 0.35 -0.05 0.23 0.00 -0.53 0.00 0.00 39.78 39.78 2awb n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2awb n ALA 67 N -0.71 2.54 0.00 5.20 0.00 -1.26 -4.19 120.51 122.09 2awb n ALA 67 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2awb n ALA 67 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2awb n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2awb n ARG 68 N -0.59 0.00 -0.21 0.00 0.00 -1.20 -3.20 116.66 111.46 2awb n ARG 68 Ca 0.06 0.17 0.01 0.00 -0.00 0.00 0.00 57.85 58.09 2awb n ARG 68 Cb 0.03 -1.59 0.10 0.00 0.00 0.00 0.00 32.46 31.01 2awb n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2awb h ALA 69 N 1.31 0.61 -0.56 5.13 0.00 -1.81 -2.54 119.26 121.40 2awb h ALA 69 Ca 0.00 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2awb h ALA 69 Cb 0.18 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2awb h ALA 69 CO 0.00 -0.39 -0.16 1.05 0.00 0.00 0.00 179.25 179.75 2awb h GLU 70 N 0.12 -0.02 0.00 0.00 -0.00 -1.87 1.81 114.58 114.63 2awb h GLU 70 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.69 2awb h GLU 70 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 2awb h GLU 70 CO -0.53 -0.01 0.00 1.63 -0.00 0.00 0.00 179.01 180.10 2awb n LYS 71 N -5.40 0.00 0.00 1.06 5.02 -0.96 0.24 118.16 118.12 2awb n LYS 71 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2awb n LYS 71 Cb 0.30 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2awb n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2awb n ILE 72 N -0.87 0.00 -0.59 -0.18 5.41 0.69 -4.85 119.36 118.97 2awb n ILE 72 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2awb n ILE 72 Cb 0.00 1.23 0.00 0.00 -0.71 0.00 0.00 39.64 40.16 2awb n ILE 72 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2awb n ASN 73 N 0.00 0.46 0.13 4.38 5.15 0.58 -4.75 115.26 121.22 2awb n ASN 73 Ca 0.00 -1.05 0.01 0.00 -0.60 0.00 0.00 54.58 52.94 2awb n ASN 73 Cb 0.20 0.00 0.32 0.00 -0.53 0.00 0.00 39.78 39.77 2awb n ASN 73 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2awb h ALA 74 N 0.00 1.32 -2.30 5.20 0.00 0.29 -3.43 119.26 120.34 2awb h ALA 74 Ca 0.00 -0.33 -0.48 0.00 0.00 0.00 0.00 54.91 54.10 2awb h ALA 74 Cb 0.36 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.12 2awb h ALA 74 CO 0.00 0.48 0.38 -0.48 0.00 0.00 0.00 179.25 179.62 2awb s LEU 75 N -8.38 3.61 0.34 0.00 2.34 -1.26 -4.93 118.68 110.40 2awb s LEU 75 Ca -0.04 1.77 0.17 0.00 0.06 0.00 0.00 54.13 56.09 2awb s LEU 75 Cb 0.14 -4.53 0.56 0.00 -0.56 0.00 0.00 46.19 41.80 2awb s LEU 75 CO 0.74 -0.93 1.68 -0.33 -1.06 0.00 0.00 176.35 176.46 2awb h GLU 76 N 0.81 0.00 -1.86 1.48 5.08 -1.96 -3.47 114.58 114.66 2awb h GLU 76 Ca -0.47 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.12 2awb h GLU 76 Cb 1.21 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 2awb h GLU 76 CO 0.59 0.44 0.67 0.95 -1.00 0.00 0.00 179.01 180.66 2awb s THR 77 N -3.56 0.00 0.25 1.13 -4.23 -1.26 -4.47 115.64 103.51 2awb s THR 77 Ca 0.00 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.31 2awb s THR 77 Cb 0.11 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 2awb s THR 77 CO 0.71 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 174.12 2awb s VAL 78 N -2.80 3.60 -0.07 2.29 1.01 -1.13 -5.01 120.40 118.28 2awb s VAL 78 Ca 0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 61.98 60.27 2awb s VAL 78 Cb 0.01 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2awb s VAL 78 CO -0.03 -0.34 0.14 -0.89 0.00 0.00 0.00 175.10 173.98 2awb s THR 79 N -2.23 -0.13 0.13 3.92 2.01 -1.26 -1.24 115.64 116.84 2awb s THR 79 Ca 0.31 0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.66 2awb s THR 79 Cb -0.07 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2awb s THR 79 CO 0.20 0.11 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.38 2awb s ILE 80 N 1.62 1.95 0.39 1.82 1.09 -0.60 -4.98 121.20 122.49 2awb s ILE 80 Ca -0.04 -1.72 0.08 0.00 -1.10 0.00 0.00 60.65 57.87 2awb s ILE 80 Cb -0.12 -1.79 -0.03 0.00 -1.06 0.00 0.00 42.46 39.47 2awb s ILE 80 CO -0.06 -0.07 0.31 0.00 -0.10 0.00 0.00 174.94 175.03 2awb s ALA 81 N -1.33 3.89 0.00 9.38 0.00 -1.25 -0.45 121.76 132.00 2awb s ALA 81 Ca 0.11 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.24 2awb s ALA 81 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2awb s ALA 81 CO 0.06 -0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.12 2awb n SER 82 N -1.43 1.13 -3.87 0.00 7.64 0.31 -4.78 113.62 112.63 2awb n SER 82 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2awb n SER 82 Cb 0.61 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.69 2awb n SER 82 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2awb s LYS 83 N 4.42 0.19 0.00 1.43 3.01 -1.26 -0.67 119.74 126.87 2awb s LYS 83 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 55.97 54.86 2awb s LYS 83 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 37.83 36.90 2awb s LYS 83 CO 0.00 -0.03 0.00 0.00 0.51 0.00 0.00 175.35 175.83 2awb n ALA 84 N 2.53 0.00 0.00 5.17 0.00 -1.26 -3.56 120.51 123.39 2awb n ALA 84 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2awb n ALA 84 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2awb n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2awb n GLY 85 N 0.00 -0.46 0.00 0.00 0.00 -1.25 -4.87 105.19 98.62 2awb n GLY 85 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2awb n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2awb n ASP 86 N 0.00 0.00 -0.71 1.61 8.00 -1.26 -4.68 116.55 119.51 2awb n ASP 86 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2awb n ASP 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2awb n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2awb n GLU 87 N 0.00 0.43 0.00 -1.24 1.02 -1.26 -4.42 120.64 115.17 2awb n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2awb n GLU 87 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2awb n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2awb n GLY 88 N 0.49 0.76 3.60 0.62 0.00 -1.26 -4.65 105.19 104.74 2awb n GLY 88 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2awb n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awb s LYS 89 N 0.49 3.98 -0.23 1.61 3.01 -1.24 0.18 119.74 127.54 2awb s LYS 89 Ca 0.00 -0.19 -0.28 0.00 -1.01 0.00 0.00 55.97 54.49 2awb s LYS 89 Cb 0.00 -3.65 0.01 0.00 -1.01 0.00 0.00 37.83 33.18 2awb s LYS 89 CO 0.00 -0.20 1.01 -0.51 0.51 0.00 0.00 175.35 176.16 2awb s LEU 90 N 1.82 4.09 0.00 3.17 1.02 0.35 -3.77 118.68 125.36 2awb s LEU 90 Ca 0.10 1.33 0.00 0.00 0.02 0.00 0.00 54.13 55.58 2awb s LEU 90 Cb -0.16 -3.49 0.00 0.00 0.02 0.00 0.00 46.19 42.56 2awb s LEU 90 CO 0.10 -0.65 0.24 0.49 0.02 0.00 0.00 176.35 176.55 2awb n PHE 91 N 6.29 0.00 0.00 0.29 3.01 -1.23 -4.37 117.46 121.45 2awb n PHE 91 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2awb n PHE 91 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2awb n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2awb n GLY 92 N -0.50 -0.41 3.65 1.37 0.00 -1.26 -5.07 105.19 102.97 2awb n GLY 92 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2awb n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2awb s SER 93 N -1.54 -0.06 -0.11 1.61 1.04 -1.26 -4.88 113.70 108.49 2awb s SER 93 Ca 0.00 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 2awb s SER 93 Cb 0.00 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2awb s SER 93 CO 0.00 -0.02 -0.07 -0.63 0.98 0.00 0.00 173.24 173.50 2awb s ILE 94 N 0.30 3.65 0.00 -1.02 1.09 -1.21 -5.04 121.20 118.96 2awb s ILE 94 Ca 0.03 -0.47 0.00 0.00 -1.10 0.00 0.00 60.65 59.11 2awb s ILE 94 Cb -0.04 -2.53 0.00 0.00 -1.06 0.00 0.00 42.46 38.82 2awb s ILE 94 CO -0.14 0.55 0.00 0.61 -0.10 0.00 0.00 174.94 175.86 2awb n GLY 95 N 2.91 2.77 0.15 6.18 0.00 -1.26 -3.92 105.19 112.02 2awb n GLY 95 Ca -0.18 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2awb n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2awb h THR 96 N 0.00 0.00 0.00 2.61 1.03 -1.97 0.98 112.91 115.56 2awb h THR 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2awb h THR 96 Cb 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.08 2awb h THR 96 CO 0.00 0.00 0.48 0.08 -0.01 0.00 0.00 175.52 176.07 2awb h ARG 97 N -0.12 0.00 0.00 0.00 0.11 -1.98 0.31 114.38 112.70 2awb h ARG 97 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2awb h ARG 97 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2awb h ARG 97 CO -0.20 0.00 -0.32 -0.25 0.10 0.00 0.00 179.97 179.30 2awb n ASP 98 N -2.77 0.69 -0.29 0.08 8.00 0.45 -3.66 116.55 119.05 2awb n ASP 98 Ca -0.02 0.19 0.12 0.00 0.71 0.00 0.00 54.79 55.80 2awb n ASP 98 Cb 0.52 -0.60 0.28 0.00 -0.02 0.00 0.00 41.12 41.30 2awb n ASP 98 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2awb h ILE 99 N -0.36 0.35 0.65 0.53 3.07 0.10 -0.54 117.51 121.31 2awb h ILE 99 Ca 0.00 -0.08 -0.03 0.00 1.55 0.00 0.00 64.86 66.30 2awb h ILE 99 Cb 0.32 0.09 0.00 0.00 -0.27 0.00 0.00 36.82 36.97 2awb h ILE 99 CO 0.00 0.04 -0.33 0.00 -1.05 0.00 0.00 178.15 176.82 2awb h ALA 100 N 1.76 -1.23 -0.67 0.16 0.00 -1.10 -1.51 119.26 116.67 2awb h ALA 100 Ca 0.54 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.40 2awb h ALA 100 Cb 1.07 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 19.13 2awb h ALA 100 CO -0.63 -1.17 0.14 0.22 0.00 0.00 0.00 179.25 177.81 2awb h ASP 101 N -0.89 -0.02 0.09 0.00 1.82 -1.48 1.00 116.42 116.94 2awb h ASP 101 Ca -0.09 0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2awb h ASP 101 Cb 0.69 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 2awb h ASP 101 CO 0.14 -0.03 -0.12 0.00 -1.61 0.00 0.00 179.24 177.62 2awb h ALA 102 N 1.55 -0.79 -0.01 -0.78 0.00 -1.06 0.20 119.26 118.37 2awb h ALA 102 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2awb h ALA 102 Cb 0.59 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2awb h ALA 102 CO -0.47 -0.80 0.03 -0.24 0.00 0.00 0.00 179.25 177.77 2awb h VAL 103 N -0.22 0.24 -0.17 0.00 3.04 -0.89 -0.19 116.25 118.06 2awb h VAL 103 Ca -0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.63 2awb h VAL 103 Cb 0.19 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2awb h VAL 103 CO -0.03 0.00 -0.07 0.74 -1.01 0.00 0.00 177.57 177.20 2awb h THR 104 N 0.00 1.30 -0.05 3.17 2.02 0.20 0.70 112.91 120.26 2awb h THR 104 Ca 0.01 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2awb h THR 104 Cb 0.07 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2awb h THR 104 CO -0.00 0.32 0.03 0.00 0.37 0.00 0.00 175.52 176.25 2awb h ALA 105 N 0.69 1.96 0.00 6.16 0.00 0.11 0.31 119.26 128.50 2awb h ALA 105 Ca 0.04 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2awb h ALA 105 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2awb h ALA 105 CO 0.02 -0.06 -0.86 0.00 0.00 0.00 0.00 179.25 178.35 2awb h ALA 106 N 1.97 0.57 0.00 0.00 0.00 -0.48 -3.47 119.26 117.86 2awb h ALA 106 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2awb h ALA 106 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2awb h ALA 106 CO -0.00 0.99 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2awb n GLY 107 N 0.88 0.26 2.90 0.00 0.00 0.22 -5.07 105.19 104.38 2awb n GLY 107 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2awb n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awb s VAL 108 N -0.48 -0.57 0.00 1.61 1.01 0.05 -4.91 120.40 117.11 2awb s VAL 108 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2awb s VAL 108 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2awb s VAL 108 CO 0.00 -0.36 1.09 1.21 0.00 0.00 0.00 175.10 177.04 2awb n GLU 109 N 4.70 0.78 -1.51 2.72 4.07 -1.26 -2.40 120.64 127.74 2awb n GLU 109 Ca 0.07 0.00 -0.47 0.00 -0.06 0.00 0.00 57.16 56.70 2awb n GLU 109 Cb 0.49 -1.11 -0.03 0.00 -0.06 0.00 0.00 31.44 30.73 2awb n GLU 109 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2awb n VAL 110 N 1.02 1.79 -4.06 6.31 3.14 -1.26 -4.98 118.33 120.28 2awb n VAL 110 Ca 0.00 -0.45 -0.27 0.00 -2.96 0.00 0.00 64.34 60.67 2awb n VAL 110 Cb 0.39 -0.56 -0.05 0.00 -1.06 0.00 0.00 33.84 32.56 2awb n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2awb s ALA 111 N -0.89 3.61 0.00 1.55 0.00 -1.26 -4.83 121.76 119.95 2awb s ALA 111 Ca 0.64 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2awb s ALA 111 Cb -0.83 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 2awb s ALA 111 CO 0.57 0.53 2.39 0.36 0.00 0.00 0.00 175.76 179.61 2awb n LYS 112 N -0.30 1.25 0.00 0.00 -0.00 -1.26 -4.64 118.16 113.21 2awb n LYS 112 Ca -0.08 -0.34 0.00 0.00 -0.00 0.00 0.00 58.31 57.89 2awb n LYS 112 Cb 0.54 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 34.19 2awb n LYS 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2awb n SER 113 N 1.92 0.00 0.00 -5.58 3.41 -1.26 -4.68 113.62 107.43 2awb n SER 113 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2awb n SER 113 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2awb n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2awb n GLU 114 N 0.00 0.00 -1.65 4.33 1.02 -1.26 -4.74 120.64 118.34 2awb n GLU 114 Ca 0.00 0.13 -0.48 0.00 -0.02 0.00 0.00 57.16 56.78 2awb n GLU 114 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 29.82 2awb n GLU 114 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2awb n VAL 115 N -1.04 0.08 0.40 2.62 3.14 -1.26 -4.23 118.33 118.03 2awb n VAL 115 Ca 0.00 -0.01 0.11 0.00 -2.96 0.00 0.00 64.34 61.48 2awb n VAL 115 Cb 0.05 -1.37 0.47 0.00 -1.06 0.00 0.00 33.84 31.93 2awb n VAL 115 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2awb n ARG 116 N 3.62 0.17 -0.75 1.45 0.63 -0.68 -4.86 116.66 116.24 2awb n ARG 116 Ca 0.18 0.41 -0.24 0.00 -0.92 0.00 0.00 57.85 57.28 2awb n ARG 116 Cb 0.25 -1.83 -0.07 0.00 0.45 0.00 0.00 32.46 31.26 2awb n ARG 116 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2awb n LEU 117 N -2.14 0.22 0.00 6.15 7.94 -1.26 -4.76 117.00 123.15 2awb n LEU 117 Ca 0.02 0.17 0.10 0.00 -1.11 0.00 0.00 56.01 55.19 2awb n LEU 117 Cb 0.21 -0.48 0.55 0.00 0.53 0.00 0.00 43.42 44.24 2awb n LEU 117 CO 0.18 -0.38 0.82 -2.65 -1.11 0.00 0.00 177.39 174.25 2awb n PRO 118 N 4.30 0.41 -3.64 1.96 -0.02 -1.26 -4.83 135.00 131.93 2awb n PRO 118 Ca 0.33 0.06 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 2awb n PRO 118 Cb 0.01 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2awb n PRO 118 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2awb s ASN 119 N -2.39 -0.10 -0.58 2.55 2.47 -1.26 -5.08 114.94 110.56 2awb s ASN 119 Ca 0.23 0.13 -0.26 0.00 0.42 0.00 0.00 52.86 53.38 2awb s ASN 119 Cb 0.14 0.12 -0.04 0.00 -1.45 0.00 0.00 41.25 40.02 2awb s ASN 119 CO 0.29 -0.07 2.07 -0.83 -3.72 0.00 0.00 177.10 174.84 2awb s GLY 120 N -0.69 -0.05 0.00 1.21 0.00 -1.26 -4.91 107.32 101.62 2awb s GLY 120 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2awb s GLY 120 CO -0.09 3.70 0.00 3.33 0.00 0.00 0.00 173.10 180.04 2awb n VAL 121 N 7.53 0.00 -0.16 1.40 0.24 -1.26 -4.49 118.33 121.60 2awb n VAL 121 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 2awb n VAL 121 Cb 0.53 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2awb n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2awb n LEU 122 N 0.00 0.08 0.06 1.34 7.99 -1.25 -3.36 117.00 121.86 2awb n LEU 122 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.09 2awb n LEU 122 Cb 0.00 -0.28 0.54 0.00 -0.11 0.00 0.00 43.42 43.57 2awb n LEU 122 CO 0.00 -0.04 1.14 -0.09 -1.51 0.00 0.00 177.39 176.89 2awb h ARG 123 N 1.32 0.28 -5.68 3.23 2.43 -1.85 -3.36 114.38 110.76 2awb h ARG 123 Ca 0.00 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.49 2awb h ARG 123 Cb 0.00 -0.06 -0.24 0.00 -0.42 0.00 0.00 29.97 29.25 2awb h ARG 123 CO 0.00 0.19 -0.73 -0.08 -1.51 0.00 0.00 179.97 177.83 2awb s THR 124 N -5.29 3.33 0.43 0.20 -1.32 -1.24 0.13 115.64 111.88 2awb s THR 124 Ca -0.07 -0.59 -0.23 0.00 -1.21 0.00 0.00 61.69 59.60 2awb s THR 124 Cb 0.18 -2.38 -0.09 0.00 -1.51 0.00 0.00 72.50 68.70 2awb s THR 124 CO 0.72 0.55 1.03 0.42 -2.21 0.00 0.00 174.62 175.13 2awb s THR 125 N -0.09 3.81 -1.97 5.08 -4.23 0.13 -4.73 115.64 113.64 2awb s THR 125 Ca -0.01 1.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 2awb s THR 125 Cb -0.14 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2awb s THR 125 CO 0.03 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2awb n GLY 126 N 0.07 0.63 3.90 3.99 0.00 -0.85 -4.85 105.19 108.09 2awb n GLY 126 Ca 0.07 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 2awb n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2awb s GLU 127 N -0.79 2.42 -0.30 1.61 1.03 -1.25 0.17 118.70 121.59 2awb s GLU 127 Ca 0.00 0.13 -0.04 0.00 0.03 0.00 0.00 54.97 55.09 2awb s GLU 127 Cb 0.00 -2.06 0.19 0.00 -0.80 0.00 0.00 34.13 31.46 2awb s GLU 127 CO 0.00 -1.23 0.84 -1.01 -1.33 0.00 0.00 175.26 172.54 2awb s HIS 128 N -3.36 -1.08 -0.49 4.83 3.76 0.33 -4.85 115.29 114.42 2awb s HIS 128 Ca 0.59 0.74 -0.27 0.00 -0.15 0.00 0.00 55.06 55.97 2awb s HIS 128 Cb -0.11 0.23 -0.02 0.00 1.11 0.00 0.00 32.58 33.78 2awb s HIS 128 CO 0.48 -0.62 1.87 -1.83 -0.85 0.00 0.00 174.74 173.79 2awb s GLU 129 N 2.90 2.88 -0.35 1.40 4.04 -1.26 0.85 118.70 129.16 2awb s GLU 129 Ca 0.17 0.99 -0.04 0.00 0.04 0.00 0.00 54.97 56.13 2awb s GLU 129 Cb -0.07 -4.32 0.07 0.00 0.02 0.00 0.00 34.13 29.82 2awb s GLU 129 CO -0.22 -2.41 0.10 0.08 -1.84 0.00 0.00 175.26 170.96 2awb s VAL 130 N 8.39 3.34 0.09 1.83 1.01 0.25 -4.90 120.40 130.42 2awb s VAL 130 Ca 0.74 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2awb s VAL 130 Cb -0.17 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 2awb s VAL 130 CO 0.26 -0.31 0.68 -0.55 0.00 0.00 0.00 175.10 175.18 2awb s SER 131 N 1.50 7.20 0.11 3.32 0.15 -1.26 -2.37 113.70 122.34 2awb s SER 131 Ca -0.00 1.42 0.06 0.00 0.70 0.00 0.00 55.95 58.13 2awb s SER 131 Cb -0.21 -2.43 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 2awb s SER 131 CO -0.01 0.20 -0.15 0.12 1.20 0.00 0.00 173.24 174.60 2awb s PHE 132 N -0.87 1.43 -0.00 3.44 5.36 0.69 -1.69 117.98 126.34 2awb s PHE 132 Ca 0.33 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 2awb s PHE 132 Cb -0.21 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 2awb s PHE 132 CO 0.22 0.15 -0.02 1.14 -1.46 0.00 0.00 175.22 175.25 2awb s GLN 133 N -2.43 0.14 -0.23 10.12 -2.07 -1.26 0.34 119.66 124.27 2awb s GLN 133 Ca 0.07 -0.05 0.04 0.00 -1.82 0.00 0.00 55.36 53.60 2awb s GLN 133 Cb -0.06 -0.15 -0.17 0.00 -1.09 0.00 0.00 33.01 31.54 2awb s GLN 133 CO 0.03 0.03 -0.17 0.28 -1.32 0.00 0.00 175.29 174.14 2awb n VAL 134 N 3.10 1.35 -4.49 3.63 0.31 -1.26 -4.25 118.33 116.73 2awb n VAL 134 Ca -0.13 -0.56 -0.24 0.00 -0.01 0.00 0.00 64.34 63.40 2awb n VAL 134 Cb 0.59 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 32.19 2awb n VAL 134 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2awb s HIS 135 N -2.47 2.17 0.00 3.52 5.65 -1.26 -5.00 115.29 117.90 2awb s HIS 135 Ca -0.29 -0.61 0.00 0.00 0.25 0.00 0.00 55.06 54.42 2awb s HIS 135 Cb 0.08 -1.25 0.00 0.00 -1.18 0.00 0.00 32.58 30.23 2awb s HIS 135 CO 0.58 0.42 0.94 0.43 -0.65 0.00 0.00 174.74 176.46 2awb n SER 136 N -0.69 0.00 0.03 9.88 7.64 -1.26 -1.05 113.62 128.17 2awb n SER 136 Ca -0.05 0.94 0.07 0.00 1.01 0.00 0.00 58.87 60.84 2awb n SER 136 Cb 0.63 -0.44 0.31 0.00 -1.01 0.00 0.00 64.21 63.71 2awb n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2awb n GLU 137 N -2.45 0.04 -3.53 1.43 4.71 -1.26 -4.76 120.64 114.82 2awb n GLU 137 Ca 0.00 0.33 -0.34 0.00 -0.01 0.00 0.00 57.16 57.15 2awb n GLU 137 Cb 0.00 -1.59 -0.05 0.00 -1.01 0.00 0.00 31.44 28.79 2awb n GLU 137 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2awb s VAL 138 N -3.08 5.04 0.00 2.62 1.01 -0.22 -5.06 120.40 120.71 2awb s VAL 138 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2awb s VAL 138 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2awb s VAL 138 CO 0.25 0.16 0.00 2.22 0.00 0.00 0.00 175.10 177.72 2awb n PHE 139 N 0.51 0.00 -3.65 5.22 1.16 -1.26 -4.05 117.46 115.39 2awb n PHE 139 Ca -0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.41 2awb n PHE 139 Cb 0.52 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.32 2awb n PHE 139 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2awb s ALA 140 N -2.00 -1.66 -0.25 1.98 0.00 0.15 -4.84 121.76 115.15 2awb s ALA 140 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.73 2awb s ALA 140 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2awb s ALA 140 CO 0.00 -0.32 0.48 0.15 0.00 0.00 0.00 175.76 176.06 2awb s LYS 141 N 0.57 4.08 -0.07 0.00 3.01 -1.26 -0.22 119.74 125.83 2awb s LYS 141 Ca -0.02 0.26 0.01 0.00 -1.01 0.00 0.00 55.97 55.21 2awb s LYS 141 Cb -0.05 -3.63 0.02 0.00 -1.01 0.00 0.00 37.83 33.16 2awb s LYS 141 CO -0.02 -0.29 -0.07 0.08 0.51 0.00 0.00 175.35 175.56 2awb s VAL 142 N 2.11 0.81 0.33 3.17 1.01 -1.00 -4.93 120.40 121.90 2awb s VAL 142 Ca 0.20 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 2awb s VAL 142 Cb -0.16 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 2awb s VAL 142 CO 0.09 0.31 0.85 -0.63 0.00 0.00 0.00 175.10 175.72 2awb s ILE 143 N 1.25 4.45 0.27 2.22 1.01 -1.26 0.86 121.20 130.00 2awb s ILE 143 Ca -0.05 1.40 0.12 0.00 0.00 0.00 0.00 60.65 62.12 2awb s ILE 143 Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2awb s ILE 143 CO -0.02 -0.06 -0.20 -0.69 0.00 0.00 0.00 174.94 173.97 2awb s VAL 144 N -1.85 2.44 -0.04 2.92 1.01 0.25 -2.86 120.40 122.28 2awb s VAL 144 Ca 0.53 -2.38 0.03 0.00 0.00 0.00 0.00 61.98 60.16 2awb s VAL 144 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2awb s VAL 144 CO 0.18 -0.39 -0.13 0.21 0.00 0.00 0.00 175.10 174.98 2awb s ASN 145 N -3.45 1.67 -0.17 3.32 3.84 -0.37 0.12 114.94 119.91 2awb s ASN 145 Ca 0.29 -0.27 -0.08 0.00 0.21 0.00 0.00 52.86 53.01 2awb s ASN 145 Cb -0.05 -0.51 -0.04 0.00 -0.55 0.00 0.00 41.25 40.10 2awb s ASN 145 CO 0.14 0.10 0.12 -0.69 -2.79 0.00 0.00 177.10 173.98 2awb s VAL 146 N 0.21 5.34 0.09 -5.21 1.01 0.44 -1.55 120.40 120.73 2awb s VAL 146 Ca -0.05 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2awb s VAL 146 Cb -0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2awb s VAL 146 CO 0.02 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 174.89 2awb s VAL 147 N -0.16 0.54 -0.16 2.92 1.01 0.41 -2.00 120.40 122.96 2awb s VAL 147 Ca 0.10 -1.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.12 2awb s VAL 147 Cb -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2awb s VAL 147 CO 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 175.10 174.28 2awb s ALA 148 N -3.73 3.28 -1.89 5.51 0.00 -1.26 0.11 121.76 123.79 2awb s ALA 148 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2awb s ALA 148 Cb 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2awb s ALA 148 CO -0.05 0.26 0.47 0.39 0.00 0.00 0.00 175.76 176.83