#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrs s LEU 2 N 0.00 4.27 0.54 0.99 1.43 -1.26 -4.92 118.68 119.73 1vrs s LEU 2 Ca 0.00 1.55 0.32 0.00 -1.03 0.00 0.00 54.13 54.97 1vrs s LEU 2 Cb 0.00 -3.55 1.29 0.00 0.03 0.00 0.00 46.19 43.96 1vrs s LEU 2 CO 0.00 -0.41 1.96 0.15 0.23 0.00 0.00 176.35 178.28 1vrs h PHE 3 N 7.04 0.00 -2.87 0.29 3.57 -2.18 -3.34 116.94 119.45 1vrs h PHE 3 Ca -0.33 0.00 -0.72 0.00 3.53 0.00 0.00 57.97 60.45 1vrs h PHE 3 Cb 1.16 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 39.56 1vrs h PHE 3 CO 0.71 0.02 0.11 -0.25 -2.23 0.00 0.00 178.31 176.67 1vrs n ASP 4 N -3.12 4.96 -3.63 0.41 9.92 -1.26 -5.39 116.55 118.44 1vrs n ASP 4 Ca 0.01 -3.32 -0.02 0.00 -0.53 0.00 0.00 54.79 50.93 1vrs n ASP 4 Cb 0.33 -1.04 -0.05 0.00 -0.64 0.00 0.00 41.12 39.72 1vrs n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1vrs s ALA 5 N -2.20 -2.07 0.00 2.24 0.00 -1.26 -5.20 121.76 113.26 1vrs s ALA 5 Ca 0.33 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.62 1vrs s ALA 5 Cb 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1vrs s ALA 5 CO -0.01 -0.83 0.00 0.94 0.00 0.00 0.00 175.76 175.87 1vrs n GLN 10 N 5.19 0.00 -2.84 0.00 0.00 -1.26 -5.19 117.38 113.27 1vrs n GLN 10 Ca -0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.46 1vrs n GLN 10 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.71 1vrs n GLN 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1vrs s PHE 11 N 0.00 3.75 0.66 3.69 0.08 -1.26 -5.06 117.98 119.84 1vrs s PHE 11 Ca 0.00 1.63 -0.09 0.00 0.12 0.00 0.00 56.93 58.59 1vrs s PHE 11 Cb 0.00 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.51 1vrs s PHE 11 CO 0.00 0.19 1.01 0.14 -0.10 0.00 0.00 175.22 176.46 1vrs s VAL 12 N 0.18 3.35 0.64 -0.44 -7.23 -1.26 -5.03 120.40 110.62 1vrs s VAL 12 Ca 0.44 0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 1vrs s VAL 12 Cb -0.22 -3.39 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 1vrs s VAL 12 CO 0.26 -0.46 1.26 -2.84 -0.31 0.00 0.00 175.10 173.01 1vrs s PRO 13 N -5.20 2.63 0.27 4.82 0.02 -1.26 -4.74 135.00 131.54 1vrs s PRO 13 Ca 0.57 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1vrs s PRO 13 Cb -0.11 -1.87 0.59 0.00 0.02 0.00 0.00 34.50 33.13 1vrs s PRO 13 CO 0.48 -1.50 1.75 0.00 -0.33 0.00 0.00 177.00 177.39 1vrs h ALA 14 N 0.55 1.34 0.00 -1.55 0.00 -1.96 0.80 119.26 118.44 1vrs h ALA 14 Ca -0.50 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1vrs h ALA 14 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1vrs h ALA 14 CO 0.53 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 1vrs n ASP 15 N -4.90 0.00 -0.02 0.00 8.00 -1.26 -0.93 116.55 117.44 1vrs n ASP 15 Ca 0.19 0.25 0.09 0.00 0.71 0.00 0.00 54.79 56.03 1vrs n ASP 15 Cb 0.49 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 41.04 1vrs n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vrs n GLN 16 N -1.39 0.66 0.08 -1.24 6.02 0.17 -3.80 117.38 117.88 1vrs n GLN 16 Ca 0.07 -0.18 -0.21 0.00 -0.01 0.00 0.00 57.00 56.66 1vrs n GLN 16 Cb 0.18 -1.52 -0.15 0.00 1.02 0.00 0.00 30.24 29.77 1vrs n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vrs h ALA 17 N 1.92 0.16 -3.03 -1.58 0.00 -0.46 -3.42 119.26 112.85 1vrs h ALA 17 Ca -0.04 -1.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.16 1vrs h ALA 17 Cb 1.10 0.37 -0.40 0.00 0.00 0.00 0.00 17.79 18.86 1vrs h ALA 17 CO 0.00 1.03 -0.75 -0.06 0.00 0.00 0.00 179.25 179.47 1vrs s PHE 18 N -2.59 1.90 -0.56 0.00 0.08 -0.10 -0.28 117.98 116.43 1vrs s PHE 18 Ca -0.13 -2.23 -0.28 0.00 0.12 0.00 0.00 56.93 54.41 1vrs s PHE 18 Cb 0.06 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1vrs s PHE 18 CO 0.86 -0.81 1.32 0.00 -0.10 0.00 0.00 175.22 176.49 1vrs s ALA 19 N 0.72 2.91 0.33 5.36 0.00 0.43 -4.48 121.76 127.03 1vrs s ALA 19 Ca 0.16 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 1vrs s ALA 19 Cb -0.23 -4.06 -0.07 0.00 0.00 0.00 0.00 23.12 18.77 1vrs s ALA 19 CO -0.06 -2.77 0.67 0.12 0.00 0.00 0.00 175.76 173.72 1vrs s PHE 20 N 5.55 3.45 -0.07 0.00 5.36 -1.26 -0.27 117.98 130.73 1vrs s PHE 20 Ca 0.49 0.93 -0.31 0.00 -0.96 0.00 0.00 56.93 57.08 1vrs s PHE 20 Cb -0.10 -2.33 0.12 0.00 -0.34 0.00 0.00 43.02 40.37 1vrs s PHE 20 CO 0.26 0.06 1.05 0.34 -1.46 0.00 0.00 175.22 175.47 1vrs s ASP 21 N -2.90 -0.24 0.14 6.13 -1.08 0.11 -4.98 116.67 113.84 1vrs s ASP 21 Ca 0.49 -0.03 -0.11 0.00 -0.52 0.00 0.00 52.55 52.38 1vrs s ASP 21 Cb -0.11 0.28 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 1vrs s ASP 21 CO 0.27 -0.46 0.29 0.72 0.52 0.00 0.00 175.17 176.52 1vrs s PHE 22 N -2.79 0.19 -0.17 -5.34 -0.71 -1.26 -0.15 117.98 107.75 1vrs s PHE 22 Ca 0.08 -0.57 -0.12 0.00 -1.04 0.00 0.00 56.93 55.28 1vrs s PHE 22 Cb -0.01 0.03 0.05 0.00 -1.21 0.00 0.00 43.02 41.88 1vrs s PHE 22 CO -0.06 -0.68 0.42 -1.14 -1.34 0.00 0.00 175.22 172.42 1vrs s GLN 23 N -3.90 0.45 0.13 1.99 0.74 -0.77 -4.97 119.66 113.32 1vrs s GLN 23 Ca 0.11 0.71 0.10 0.00 0.05 0.00 0.00 55.36 56.33 1vrs s GLN 23 Cb 0.03 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 1vrs s GLN 23 CO -0.05 -0.11 -0.25 -1.14 -0.55 0.00 0.00 175.29 173.18 1vrs s GLN 24 N 0.86 1.35 -0.36 1.67 0.74 -1.26 -0.13 119.66 122.54 1vrs s GLN 24 Ca -0.05 -1.33 0.04 0.00 0.05 0.00 0.00 55.36 54.07 1vrs s GLN 24 Cb -0.06 -1.78 0.16 0.00 1.10 0.00 0.00 33.01 32.44 1vrs s GLN 24 CO -0.07 0.41 0.45 1.21 -0.55 0.00 0.00 175.29 176.75 1vrs s ASN 25 N -2.10 0.23 1.97 6.67 3.84 0.12 -4.99 114.94 120.68 1vrs s ASN 25 Ca 0.13 -1.02 0.00 0.00 0.21 0.00 0.00 52.86 52.18 1vrs s ASN 25 Cb -0.10 1.09 0.00 0.00 -0.55 0.00 0.00 41.25 41.69 1vrs s ASN 25 CO 0.06 -0.26 0.00 0.00 -2.79 0.00 0.00 177.10 174.11 1vrs n GLN 26 N 4.61 0.00 0.00 0.43 1.13 -1.26 -1.14 117.38 121.15 1vrs n GLN 26 Ca 0.08 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.24 1vrs n GLN 26 Cb 0.49 0.00 0.56 0.00 0.11 0.00 0.00 30.24 31.40 1vrs n GLN 26 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1vrs n HIS 27 N 13.94 0.00 -3.73 1.08 8.25 -1.26 -4.67 115.22 128.83 1vrs n HIS 27 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1vrs n HIS 27 Cb 0.00 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 30.93 1vrs n HIS 27 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1vrs s ASP 28 N -2.12 5.26 -0.04 0.41 1.01 -0.29 0.35 116.67 121.24 1vrs s ASP 28 Ca 0.27 -0.65 0.06 0.00 0.71 0.00 0.00 52.55 52.94 1vrs s ASP 28 Cb 0.13 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 1vrs s ASP 28 CO 0.24 -0.19 -0.23 -0.22 0.21 0.00 0.00 175.17 174.97 1vrs s LEU 29 N 1.54 2.19 -0.24 1.23 2.96 0.30 0.16 118.68 126.82 1vrs s LEU 29 Ca 0.03 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1vrs s LEU 29 Cb -0.17 -1.39 0.05 0.00 0.50 0.00 0.00 46.19 45.18 1vrs s LEU 29 CO 0.04 0.30 -0.11 0.21 -1.32 0.00 0.00 176.35 175.46 1vrs s ASN 30 N -0.47 4.18 -0.06 3.68 2.47 0.82 0.77 114.94 126.32 1vrs s ASN 30 Ca 0.06 -1.26 -0.19 0.00 0.42 0.00 0.00 52.86 51.88 1vrs s ASN 30 Cb -0.11 -1.49 -0.05 0.00 -1.45 0.00 0.00 41.25 38.15 1vrs s ASN 30 CO 0.01 -0.17 0.52 -0.76 -3.72 0.00 0.00 177.10 172.98 1vrs s LEU 31 N 1.17 4.35 -0.02 3.21 1.43 0.46 -1.85 118.68 127.42 1vrs s LEU 31 Ca -0.07 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1vrs s LEU 31 Cb -0.19 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1vrs s LEU 31 CO -0.06 0.07 0.06 0.28 0.23 0.00 0.00 176.35 176.93 1vrs s THR 32 N 0.15 -0.00 -0.11 5.49 -1.32 0.78 -0.04 115.64 120.58 1vrs s THR 32 Ca 0.28 0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1vrs s THR 32 Cb -0.17 -0.10 0.02 0.00 -1.51 0.00 0.00 72.50 70.74 1vrs s THR 32 CO 0.14 0.01 -0.14 0.26 -2.21 0.00 0.00 174.62 172.68 1vrs s TRP 33 N 0.12 1.90 -0.39 9.09 0.51 -0.35 -0.72 118.94 129.10 1vrs s TRP 33 Ca -0.01 -0.93 -0.20 0.00 -2.12 0.00 0.00 56.10 52.85 1vrs s TRP 33 Cb -0.01 -1.40 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 1vrs s TRP 33 CO -0.00 -0.50 0.61 -1.14 -0.51 0.00 0.00 176.95 175.40 1vrs s GLN 34 N 1.16 3.50 -0.40 4.98 2.00 0.62 -1.50 119.66 130.03 1vrs s GLN 34 Ca -0.03 -0.17 -0.14 0.00 -2.00 0.00 0.00 55.36 53.01 1vrs s GLN 34 Cb -0.14 -3.87 0.02 0.00 0.80 0.00 0.00 33.01 29.82 1vrs s GLN 34 CO -0.04 -0.83 0.28 0.42 -0.50 0.00 0.00 175.29 174.62 1vrs s ILE 35 N 2.68 5.17 0.28 -2.34 1.01 0.99 -0.43 121.20 128.57 1vrs s ILE 35 Ca 0.22 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 1vrs s ILE 35 Cb -0.15 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.33 1vrs s ILE 35 CO 0.16 -0.27 1.27 1.17 0.00 0.00 0.00 174.94 177.27 1vrs n LYS 36 N 5.13 1.87 -1.69 2.79 4.81 0.62 -3.59 118.16 128.11 1vrs n LYS 36 Ca -0.11 0.66 -0.45 0.00 -0.87 0.00 0.00 58.31 57.54 1vrs n LYS 36 Cb 0.47 -2.22 -0.04 0.00 0.02 0.00 0.00 35.03 33.26 1vrs n LYS 36 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1vrs n ASP 37 N 1.48 3.51 0.00 3.14 2.03 -1.26 -1.11 116.55 124.34 1vrs n ASP 37 Ca 0.09 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1vrs n ASP 37 Cb 0.33 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1vrs n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vrs n GLY 38 N 3.79 0.40 3.46 0.27 0.00 -1.26 -5.07 105.19 106.78 1vrs n GLY 38 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1vrs n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vrs s TYR 39 N -2.00 2.07 0.05 1.61 1.51 -0.26 -0.75 117.35 119.57 1vrs s TYR 39 Ca 0.00 -0.65 -0.24 0.00 -1.01 0.00 0.00 57.07 55.17 1vrs s TYR 39 Cb 0.00 -1.18 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 1vrs s TYR 39 CO 0.00 0.36 0.56 1.52 -1.11 0.00 0.00 175.55 176.88 1vrs s TYR 40 N -2.91 -0.48 0.01 2.71 -0.85 -0.61 -4.62 117.35 110.60 1vrs s TYR 40 Ca 0.30 0.54 0.00 0.00 -0.52 0.00 0.00 57.07 57.40 1vrs s TYR 40 Cb 0.03 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1vrs s TYR 40 CO 0.13 -0.68 0.07 -0.51 -1.52 0.00 0.00 175.55 173.05 1vrs s LEU 41 N -2.01 3.85 -0.33 -3.49 1.43 -0.67 -1.63 118.68 115.84 1vrs s LEU 41 Ca -0.05 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 52.91 1vrs s LEU 41 Cb -0.01 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1vrs s LEU 41 CO -0.02 0.26 0.88 -0.31 0.23 0.00 0.00 176.35 177.39 1vrs s TYR 42 N -1.21 3.16 0.22 0.29 2.02 -0.33 -1.10 117.35 120.40 1vrs s TYR 42 Ca 0.23 0.87 -0.07 0.00 -0.37 0.00 0.00 57.07 57.73 1vrs s TYR 42 Cb -0.12 -3.42 0.33 0.00 -0.40 0.00 0.00 41.96 38.34 1vrs s TYR 42 CO 0.15 -0.67 1.78 -0.09 -1.57 0.00 0.00 175.55 175.14 1vrs h ARG 43 N 8.21 0.59 0.00 -0.62 2.43 -1.69 -1.61 114.38 121.69 1vrs h ARG 43 Ca -0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1vrs h ARG 43 Cb 1.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1vrs h ARG 43 CO 0.94 0.39 0.00 0.36 -1.51 0.00 0.00 179.97 180.15 1vrs n LYS 44 N -4.85 0.08 0.00 0.20 2.85 -1.26 -2.70 118.16 112.47 1vrs n LYS 44 Ca 0.11 0.26 0.10 0.00 -1.05 0.00 0.00 58.31 57.73 1vrs n LYS 44 Cb 0.26 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 1vrs n LYS 44 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1vrs n GLN 45 N -1.38 1.40 -2.60 -1.58 1.13 -0.60 -4.97 117.38 108.78 1vrs n GLN 45 Ca 0.04 -1.05 -0.40 0.00 -1.94 0.00 0.00 57.00 53.64 1vrs n GLN 45 Cb 0.09 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 28.96 1vrs n GLN 45 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1vrs s ILE 46 N -2.30 3.82 -0.10 5.09 1.01 -1.10 -4.04 121.20 123.58 1vrs s ILE 46 Ca 0.18 1.78 -0.04 0.00 0.00 0.00 0.00 60.65 62.57 1vrs s ILE 46 Cb 0.17 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1vrs s ILE 46 CO 0.51 0.40 0.20 -0.60 0.00 0.00 0.00 174.94 175.45 1vrs s ARG 47 N -1.12 0.09 -0.23 2.79 6.06 0.59 -4.98 118.95 122.14 1vrs s ARG 47 Ca 0.44 0.59 -0.02 0.00 -2.50 0.00 0.00 55.73 54.24 1vrs s ARG 47 Cb -0.29 -0.18 0.01 0.00 0.06 0.00 0.00 34.95 34.56 1vrs s ARG 47 CO 0.36 -0.27 -0.06 0.42 -2.50 0.00 0.00 175.30 173.24 1vrs s ILE 48 N 2.11 2.99 -0.12 4.11 1.01 -1.26 -0.97 121.20 129.07 1vrs s ILE 48 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1vrs s ILE 48 Cb -0.12 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1vrs s ILE 48 CO -0.07 0.30 -0.16 -0.89 0.00 0.00 0.00 174.94 174.13 1vrs s THR 49 N 1.38 1.55 0.28 2.92 2.01 -0.23 -4.97 115.64 118.57 1vrs s THR 49 Ca 0.03 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 1vrs s THR 49 Cb -0.15 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 1vrs s THR 49 CO -0.05 0.45 0.70 -2.16 -0.69 0.00 0.00 174.62 172.87 1vrs s PRO 50 N 1.07 4.02 -0.25 4.92 0.04 -1.26 -0.16 135.00 143.37 1vrs s PRO 50 Ca -0.04 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 61.62 1vrs s PRO 50 Cb -0.15 -2.57 0.08 0.00 0.04 0.00 0.00 34.50 31.90 1vrs s PRO 50 CO -0.03 0.24 0.04 -1.21 0.04 0.00 0.00 177.00 176.08 1vrs s GLU 51 N -2.72 0.93 -0.78 4.56 0.41 0.09 -4.73 118.70 116.46 1vrs s GLU 51 Ca 0.50 -0.85 -0.01 0.00 -0.41 0.00 0.00 54.97 54.20 1vrs s GLU 51 Cb -0.12 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 1vrs s GLU 51 CO 0.19 -0.77 0.16 0.72 -0.49 0.00 0.00 175.26 175.07 1vrs n HIS 52 N 4.86 -0.73 -3.81 1.61 8.25 -1.26 -0.97 115.22 123.17 1vrs n HIS 52 Ca -0.07 0.14 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1vrs n HIS 52 Cb 0.44 -2.55 -0.07 0.00 1.12 0.00 0.00 29.99 28.94 1vrs n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vrs s ALA 53 N -2.68 -0.42 -0.20 -1.41 0.00 -1.26 -1.19 121.76 114.61 1vrs s ALA 53 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1vrs s ALA 53 Cb -0.04 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1vrs s ALA 53 CO 0.10 -0.49 -0.17 0.15 0.00 0.00 0.00 175.76 175.35 1vrs s LYS 54 N -3.47 2.69 -0.02 0.00 1.02 0.30 -4.84 119.74 115.43 1vrs s LYS 54 Ca 0.02 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.12 1vrs s LYS 54 Cb 0.03 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1vrs s LYS 54 CO -0.09 -0.31 -0.08 0.42 -0.92 0.00 0.00 175.35 174.37 1vrs s ILE 55 N 1.28 3.56 0.46 2.17 1.09 -1.26 -0.38 121.20 128.11 1vrs s ILE 55 Ca 0.02 -0.73 -0.22 0.00 -1.10 0.00 0.00 60.65 58.62 1vrs s ILE 55 Cb -0.15 -2.51 -0.09 0.00 -1.06 0.00 0.00 42.46 38.66 1vrs s ILE 55 CO -0.11 0.45 1.05 0.00 -0.10 0.00 0.00 174.94 176.23 1vrs s ALA 56 N -0.93 2.94 0.13 9.38 0.00 -0.43 -4.93 121.76 127.94 1vrs s ALA 56 Ca 0.15 0.65 -0.35 0.00 0.00 0.00 0.00 51.96 52.41 1vrs s ALA 56 Cb -0.11 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 1vrs s ALA 56 CO 0.05 -0.29 1.47 -0.25 0.00 0.00 0.00 175.76 176.74 1vrs n ASP 57 N -0.65 2.46 -4.69 0.00 8.00 -1.26 -4.64 116.55 115.75 1vrs n ASP 57 Ca 0.08 1.10 -0.39 0.00 0.71 0.00 0.00 54.79 56.29 1vrs n ASP 57 Cb 0.51 -1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 1vrs n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vrs s VAL 58 N 0.70 5.13 -0.28 2.53 1.01 -1.26 -4.98 120.40 123.25 1vrs s VAL 58 Ca 0.81 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 1vrs s VAL 58 Cb -0.80 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 1vrs s VAL 58 CO 0.42 0.24 0.20 -1.58 0.00 0.00 0.00 175.10 174.38 1vrs s GLN 59 N 1.14 3.91 -0.02 2.72 2.00 -1.26 -5.07 119.66 123.09 1vrs s GLN 59 Ca 0.27 -0.33 -0.29 0.00 -2.00 0.00 0.00 55.36 53.00 1vrs s GLN 59 Cb -0.16 -3.67 -0.03 0.00 0.80 0.00 0.00 33.01 29.95 1vrs s GLN 59 CO 0.11 -0.21 0.96 -0.51 -0.50 0.00 0.00 175.29 175.14 1vrs s LEU 60 N 1.77 4.35 0.97 3.68 1.43 -1.26 -4.91 118.68 124.71 1vrs s LEU 60 Ca 0.07 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 1vrs s LEU 60 Cb -0.16 -3.52 0.18 0.00 0.03 0.00 0.00 46.19 42.71 1vrs s LEU 60 CO 0.11 -0.27 1.11 -2.16 0.23 0.00 0.00 176.35 175.37 1vrs s PRO 61 N 1.09 0.60 -0.28 1.29 0.04 -1.26 -4.96 135.00 131.52 1vrs s PRO 61 Ca 0.50 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1vrs s PRO 61 Cb -0.20 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1vrs s PRO 61 CO 0.26 -2.83 1.07 -0.65 0.04 0.00 0.00 177.00 174.89 1vrs s GLN 62 N -4.64 4.15 0.00 4.56 -1.52 -1.26 -5.03 119.66 115.92 1vrs s GLN 62 Ca 0.67 1.21 0.00 0.00 -1.95 0.00 0.00 55.36 55.29 1vrs s GLN 62 Cb -0.23 -3.70 0.00 0.00 -0.22 0.00 0.00 33.01 28.86 1vrs s GLN 62 CO 0.60 -0.79 0.00 0.41 -0.25 0.00 0.00 175.29 175.25 1vrs n GLY 63 N 3.65 3.09 4.00 3.09 0.00 -1.26 -5.11 105.19 112.65 1vrs n GLY 63 Ca 0.12 -2.06 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 1vrs n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vrs s VAL 64 N 1.50 3.26 -0.16 1.61 -7.23 -0.36 -4.82 120.40 114.21 1vrs s VAL 64 Ca 0.00 -0.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.17 1vrs s VAL 64 Cb 0.00 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1vrs s VAL 64 CO 0.00 -0.05 0.07 0.26 -0.31 0.00 0.00 175.10 175.06 1vrs s TRP 65 N -2.37 3.30 0.04 2.82 0.52 -1.26 0.31 118.94 122.30 1vrs s TRP 65 Ca 0.53 0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.87 1vrs s TRP 65 Cb -0.10 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1vrs s TRP 65 CO 0.33 0.30 -0.12 -1.58 0.02 0.00 0.00 176.95 175.90 1vrs s HIS 66 N -0.05 2.71 0.11 -1.98 2.46 0.95 -4.93 115.29 114.55 1vrs s HIS 66 Ca 0.07 -0.16 0.05 0.00 0.47 0.00 0.00 55.06 55.49 1vrs s HIS 66 Cb -0.12 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.78 1vrs s HIS 66 CO 0.01 0.33 -0.13 -1.83 -2.47 0.00 0.00 174.74 170.65 1vrs s GLU 67 N -1.59 0.95 0.01 2.88 -1.05 -1.26 -0.91 118.70 117.73 1vrs s GLU 67 Ca 0.17 -1.17 -0.26 0.00 -0.15 0.00 0.00 54.97 53.56 1vrs s GLU 67 Cb -0.11 -0.81 0.06 0.00 -0.44 0.00 0.00 34.13 32.83 1vrs s GLU 67 CO 0.08 0.16 0.59 0.16 0.95 0.00 0.00 175.26 177.19 1vrs s ASP 68 N -2.31 -0.54 0.00 0.83 1.47 -0.18 -5.01 116.67 110.92 1vrs s ASP 68 Ca 0.06 0.40 0.00 0.00 1.18 0.00 0.00 52.55 54.19 1vrs s ASP 68 Cb -0.05 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 43.04 1vrs s ASP 68 CO 0.02 -0.68 0.89 -1.84 0.68 0.00 0.00 175.17 174.24 1vrs n GLU 69 N 0.60 0.00 -0.11 2.11 0.28 -1.26 -1.59 120.64 120.67 1vrs n GLU 69 Ca -0.19 0.39 -0.17 0.00 -0.16 0.00 0.00 57.16 57.04 1vrs n GLU 69 Cb 0.59 -1.51 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 1vrs n GLU 69 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1vrs n PHE 70 N -1.39 0.09 0.19 -1.84 3.01 -1.26 -4.65 117.46 111.61 1vrs n PHE 70 Ca 0.00 0.04 0.11 0.00 1.01 0.00 0.00 57.45 58.60 1vrs n PHE 70 Cb 0.01 -0.71 0.21 0.00 -0.01 0.00 0.00 39.48 38.98 1vrs n PHE 70 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vrs n TYR 71 N -4.39 0.51 0.00 1.38 4.01 -1.24 -5.03 117.16 112.40 1vrs n TYR 71 Ca -0.29 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 1vrs n TYR 71 Cb 0.64 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1vrs n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vrs n GLY 72 N 1.35 1.35 3.56 2.72 0.00 -0.62 -4.75 105.19 108.80 1vrs n GLY 72 Ca 0.18 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 1vrs n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vrs s LYS 73 N 0.00 2.02 -0.16 1.61 1.02 -1.26 -1.01 119.74 121.96 1vrs s LYS 73 Ca 0.00 -1.19 -0.14 0.00 0.02 0.00 0.00 55.97 54.65 1vrs s LYS 73 Cb 0.00 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1vrs s LYS 73 CO 0.00 0.46 0.42 -1.12 -0.92 0.00 0.00 175.35 174.19 1vrs s SER 74 N -2.55 -0.45 0.02 2.83 0.01 -0.09 -4.97 113.70 108.52 1vrs s SER 74 Ca 0.23 0.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.06 1vrs s SER 74 Cb -0.10 0.86 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1vrs s SER 74 CO 0.14 -0.15 0.92 -0.70 0.41 0.00 0.00 173.24 173.85 1vrs s GLU 75 N 0.31 4.57 0.23 12.44 2.12 -1.26 -0.04 118.70 137.08 1vrs s GLU 75 Ca -0.01 1.32 0.01 0.00 0.36 0.00 0.00 54.97 56.66 1vrs s GLU 75 Cb -0.03 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1vrs s GLU 75 CO -0.00 0.07 0.07 0.96 -0.54 0.00 0.00 175.26 175.81 1vrs s ILE 76 N 0.61 0.54 -0.03 -3.70 -4.36 0.15 -1.83 121.20 112.58 1vrs s ILE 76 Ca 0.47 -1.99 0.06 0.00 -0.26 0.00 0.00 60.65 58.93 1vrs s ILE 76 Cb -0.21 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.01 1vrs s ILE 76 CO 0.27 -0.14 -0.22 -0.31 0.24 0.00 0.00 174.94 174.78 1vrs s TYR 77 N -3.77 2.06 0.26 1.37 2.02 -0.26 -1.22 117.35 117.82 1vrs s TYR 77 Ca 0.34 -0.50 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1vrs s TYR 77 Cb 0.07 -1.35 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 1vrs s TYR 77 CO 0.11 -0.12 -0.04 1.03 -1.57 0.00 0.00 175.55 174.96 1vrs s ARG 78 N -0.30 1.47 0.00 -0.62 0.52 -1.26 -1.67 118.95 117.10 1vrs s ARG 78 Ca 0.02 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 1vrs s ARG 78 Cb -0.11 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.38 1vrs s ARG 78 CO 0.01 -0.00 0.00 -0.25 0.02 0.00 0.00 175.30 175.08 1vrs n ASP 79 N -0.52 0.00 -3.70 0.23 8.00 -1.24 -4.65 116.55 114.67 1vrs n ASP 79 Ca -0.05 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 1vrs n ASP 79 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.67 1vrs n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1vrs s ARG 80 N 0.00 0.88 -0.07 -1.24 3.52 -1.26 -0.00 118.95 120.77 1vrs s ARG 80 Ca 0.00 -0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1vrs s ARG 80 Cb 0.00 0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.80 1vrs s ARG 80 CO 0.00 -0.30 -0.05 -1.17 -0.81 0.00 0.00 175.30 172.98 1vrs s LEU 81 N -2.07 1.07 -0.14 -0.88 2.96 -0.56 -4.94 118.68 114.12 1vrs s LEU 81 Ca -0.05 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1vrs s LEU 81 Cb -0.01 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.10 1vrs s LEU 81 CO -0.03 -0.11 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.79 1vrs s THR 82 N 1.47 1.98 -0.29 3.68 2.01 -1.26 -1.21 115.64 122.02 1vrs s THR 82 Ca -0.02 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1vrs s THR 82 Cb -0.13 -1.76 0.08 0.00 0.01 0.00 0.00 72.50 70.70 1vrs s THR 82 CO -0.04 0.53 0.00 -0.22 -0.69 0.00 0.00 174.62 174.21 1vrs s LEU 83 N 0.88 3.29 0.05 4.42 2.96 0.94 -4.89 118.68 126.33 1vrs s LEU 83 Ca -0.06 -1.60 -0.30 0.00 -0.22 0.00 0.00 54.13 51.95 1vrs s LEU 83 Cb -0.15 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1vrs s LEU 83 CO -0.03 -0.31 0.98 -2.84 -1.32 0.00 0.00 176.35 172.83 1vrs s PRO 84 N 1.25 4.61 -0.04 0.98 0.02 -1.26 -0.41 135.00 140.16 1vrs s PRO 84 Ca 0.02 1.46 0.05 0.00 0.02 0.00 0.00 61.00 62.55 1vrs s PRO 84 Cb -0.19 -3.42 -0.01 0.00 0.02 0.00 0.00 34.50 30.91 1vrs s PRO 84 CO -0.10 0.06 -0.20 0.08 -0.33 0.00 0.00 177.00 176.50 1vrs s VAL 85 N 0.55 1.67 -0.28 3.83 1.01 0.23 -4.80 120.40 122.61 1vrs s VAL 85 Ca 0.50 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 1vrs s VAL 85 Cb -0.23 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1vrs s VAL 85 CO 0.29 0.47 0.15 -0.89 0.00 0.00 0.00 175.10 175.12 1vrs s THR 86 N -0.13 4.80 -0.52 3.92 2.01 -1.26 -0.54 115.64 123.92 1vrs s THR 86 Ca -0.01 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 1vrs s THR 86 Cb -0.12 -3.33 0.09 0.00 0.01 0.00 0.00 72.50 69.16 1vrs s THR 86 CO 0.02 0.21 0.53 -0.63 -0.69 0.00 0.00 174.62 174.06 1vrs s ILE 87 N 1.67 5.08 -0.03 1.82 1.01 0.15 -1.31 121.20 129.59 1vrs s ILE 87 Ca 0.06 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 1vrs s ILE 87 Cb -0.16 -4.30 -0.21 0.00 0.01 0.00 0.00 42.46 37.80 1vrs s ILE 87 CO 0.07 -0.83 1.13 0.78 0.00 0.00 0.00 174.94 176.09 1vrs h ASN 88 N 8.93 0.18 -4.77 3.58 2.35 -0.99 -3.38 115.58 121.48 1vrs h ASN 88 Ca -0.29 -0.67 -0.16 0.00 -0.55 0.00 0.00 56.30 54.63 1vrs h ASN 88 Cb 1.10 -0.05 -0.22 0.00 0.05 0.00 0.00 38.32 39.20 1vrs h ASN 88 CO 0.99 0.82 -0.56 -1.58 -1.65 0.00 0.00 177.43 175.45 1vrs s GLN 89 N -3.56 0.38 -0.26 0.81 -0.44 -1.00 -4.51 119.66 111.09 1vrs s GLN 89 Ca -0.16 -0.35 -0.08 0.00 -2.50 0.00 0.00 55.36 52.27 1vrs s GLN 89 Cb 0.02 0.16 0.12 0.00 -1.64 0.00 0.00 33.01 31.66 1vrs s GLN 89 CO 0.72 -0.08 0.55 0.00 0.50 0.00 0.00 175.29 176.98 1vrs s ALA 90 N -1.16 -1.68 0.89 1.58 0.00 -0.05 0.11 121.76 121.46 1vrs s ALA 90 Ca -0.13 1.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.65 1vrs s ALA 90 Cb -0.07 -1.63 0.13 0.00 0.00 0.00 0.00 23.12 21.55 1vrs s ALA 90 CO 0.01 -0.91 1.14 -1.12 0.00 0.00 0.00 175.76 174.88 1vrs s SER 91 N 2.77 3.66 0.02 0.00 0.01 -0.33 -0.47 113.70 119.36 1vrs s SER 91 Ca -0.02 0.97 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 1vrs s SER 91 Cb -0.12 -1.55 -0.07 0.00 0.21 0.00 0.00 66.02 64.49 1vrs s SER 91 CO -0.17 -2.46 1.58 0.00 0.41 0.00 0.00 173.24 172.61 1vrs s ALA 92 N -3.30 3.64 0.00 1.44 0.00 -1.26 -1.38 121.76 120.91 1vrs s ALA 92 Ca 0.63 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1vrs s ALA 92 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1vrs s ALA 92 CO 0.53 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1vrs n GLY 93 N 3.93 0.78 3.76 0.00 0.00 -1.26 -5.05 105.19 107.36 1vrs n GLY 93 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1vrs n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vrs s ALA 94 N -2.16 2.83 0.11 4.61 0.00 -0.48 -4.90 121.76 121.77 1vrs s ALA 94 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1vrs s ALA 94 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1vrs s ALA 94 CO 0.00 -0.99 -0.06 0.95 0.00 0.00 0.00 175.76 175.66 1vrs s THR 95 N -1.49 0.71 -0.16 0.00 -4.23 -0.14 -1.05 115.64 109.28 1vrs s THR 95 Ca 0.69 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1vrs s THR 95 Cb -0.32 -1.74 0.02 0.00 1.34 0.00 0.00 72.50 71.79 1vrs s THR 95 CO 0.38 -0.82 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.22 1vrs s LEU 96 N -3.06 2.07 -0.40 4.79 2.96 0.11 -0.73 118.68 124.41 1vrs s LEU 96 Ca 0.14 -0.61 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 1vrs s LEU 96 Cb 0.05 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.33 1vrs s LEU 96 CO -0.03 0.02 0.54 -0.89 -1.32 0.00 0.00 176.35 174.67 1vrs s THR 97 N 1.15 4.97 -0.26 3.68 2.01 0.77 0.55 115.64 128.51 1vrs s THR 97 Ca 0.01 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1vrs s THR 97 Cb -0.14 -4.08 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 1vrs s THR 97 CO -0.09 -0.42 0.04 -0.69 -0.69 0.00 0.00 174.62 172.77 1vrs s VAL 98 N 2.48 3.86 -0.05 3.82 1.01 0.73 -1.07 120.40 131.18 1vrs s VAL 98 Ca 0.18 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1vrs s VAL 98 Cb -0.15 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1vrs s VAL 98 CO 0.16 0.24 -0.22 -0.89 0.00 0.00 0.00 175.10 174.39 1vrs s THR 99 N 1.52 2.40 0.22 3.92 2.01 -0.14 0.20 115.64 125.76 1vrs s THR 99 Ca 0.04 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 1vrs s THR 99 Cb -0.16 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.48 1vrs s THR 99 CO 0.01 0.58 0.51 -0.72 -0.69 0.00 0.00 174.62 174.31 1vrs s TYR 100 N -0.47 0.05 -0.12 4.92 1.13 -0.32 -0.30 117.35 122.25 1vrs s TYR 100 Ca 0.06 -0.42 -0.14 0.00 -1.41 0.00 0.00 57.07 55.16 1vrs s TYR 100 Cb -0.12 0.33 0.04 0.00 -1.10 0.00 0.00 41.96 41.11 1vrs s TYR 100 CO 0.01 -0.96 0.37 -1.14 -2.51 0.00 0.00 175.55 171.32 1vrs s GLN 101 N -3.93 0.49 0.28 -3.49 0.74 -1.26 -0.39 119.66 112.10 1vrs s GLN 101 Ca 0.14 0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.99 1vrs s GLN 101 Cb -0.01 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 1vrs s GLN 101 CO 0.02 -0.08 0.20 0.20 -0.55 0.00 0.00 175.29 175.08 1vrs s GLY 102 N -0.06 1.95 0.25 2.59 0.00 -1.26 -1.19 107.32 109.61 1vrs s GLY 102 Ca -0.02 -1.88 -0.04 0.00 0.00 0.00 0.00 44.72 42.78 1vrs s GLY 102 CO 0.01 -1.47 0.30 -0.56 0.00 0.00 0.00 173.10 171.39 1vrs s SER 103 N -3.29 0.36 -0.01 1.64 0.01 -0.65 -1.24 113.70 110.52 1vrs s SER 103 Ca 0.39 -1.31 0.06 0.00 1.31 0.00 0.00 55.95 56.40 1vrs s SER 103 Cb 0.05 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1vrs s SER 103 CO 0.20 -1.03 -0.17 0.00 0.41 0.00 0.00 173.24 172.65 1vrs s ALA 104 N -3.87 2.59 0.31 1.44 0.00 0.90 -1.57 121.76 121.56 1vrs s ALA 104 Ca 0.33 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.26 1vrs s ALA 104 Cb 0.03 -0.82 0.72 0.00 0.00 0.00 0.00 23.12 23.05 1vrs s ALA 104 CO 0.14 0.56 1.82 -0.44 0.00 0.00 0.00 175.76 177.84 1vrs h ASP 105 N 4.99 0.78 0.00 0.00 3.32 -1.26 -0.21 116.42 124.03 1vrs h ASP 105 Ca -0.47 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1vrs h ASP 105 Cb 1.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1vrs h ASP 105 CO 0.49 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1vrs n ALA 106 N -2.37 1.85 -0.45 3.45 0.00 -1.26 -4.80 120.51 116.93 1vrs n ALA 106 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1vrs n ALA 106 Cb 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1vrs n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vrs n GLY 107 N -0.38 0.84 2.99 0.00 0.00 -0.11 -5.12 105.19 103.41 1vrs n GLY 107 Ca 0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1vrs n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vrs s PHE 108 N -2.30 -0.29 -0.20 1.61 5.36 -1.10 -4.97 117.98 116.09 1vrs s PHE 108 Ca 0.00 0.72 -0.05 0.00 -0.96 0.00 0.00 56.93 56.64 1vrs s PHE 108 Cb 0.00 -0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1vrs s PHE 108 CO 0.00 -0.24 -0.00 0.00 -1.46 0.00 0.00 175.22 173.52 1vrs s TYR 110 N 1.09 3.43 0.91 0.00 1.51 -0.37 -5.01 117.35 118.90 1vrs s TYR 110 Ca 0.02 1.03 -0.14 0.00 -1.01 0.00 0.00 57.07 56.97 1vrs s TYR 110 Cb -0.14 -2.38 0.14 0.00 -0.11 0.00 0.00 41.96 39.47 1vrs s TYR 110 CO 0.01 0.22 1.21 -1.25 -1.11 0.00 0.00 175.55 174.64 1vrs s PRO 111 N -2.77 1.16 0.59 -1.71 0.04 -1.26 -4.37 135.00 126.68 1vrs s PRO 111 Ca 0.49 -0.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.30 1vrs s PRO 111 Cb -0.11 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1vrs s PRO 111 CO 0.20 -2.12 1.29 -2.14 0.04 0.00 0.00 177.00 174.27 1vrs s PRO 112 N -5.61 2.91 0.06 0.56 0.02 -1.26 -4.64 135.00 127.04 1vrs s PRO 112 Ca 0.67 2.07 0.07 0.00 0.02 0.00 0.00 61.00 63.83 1vrs s PRO 112 Cb -0.09 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1vrs s PRO 112 CO 0.52 -1.32 -0.20 -1.21 -0.33 0.00 0.00 177.00 174.46 1vrs s GLU 113 N -3.16 1.29 -0.10 5.54 2.02 0.48 -4.97 118.70 119.79 1vrs s GLU 113 Ca 0.77 -0.99 -0.00 0.00 0.02 0.00 0.00 54.97 54.76 1vrs s GLU 113 Cb -0.37 -1.44 0.02 0.00 0.10 0.00 0.00 34.13 32.45 1vrs s GLU 113 CO 0.41 0.36 -0.06 0.99 0.02 0.00 0.00 175.26 176.98 1vrs s THR 114 N -0.91 0.89 0.00 3.63 2.01 -1.26 -1.17 115.64 118.84 1vrs s THR 114 Ca 0.07 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1vrs s THR 114 Cb -0.09 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1vrs s THR 114 CO 0.02 0.34 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.71 1vrs s LYS 115 N 1.71 2.60 -0.29 4.92 3.01 0.13 -4.94 119.74 126.89 1vrs s LYS 115 Ca 0.04 -0.70 -0.08 0.00 -1.01 0.00 0.00 55.97 54.22 1vrs s LYS 115 Cb -0.13 -2.54 -0.01 0.00 -1.01 0.00 0.00 37.83 34.15 1vrs s LYS 115 CO -0.07 0.61 0.10 0.99 0.51 0.00 0.00 175.35 177.49 1vrs s THR 116 N -1.02 4.27 -0.25 2.17 2.01 -1.26 -0.19 115.64 121.37 1vrs s THR 116 Ca 0.18 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 1vrs s THR 116 Cb -0.11 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1vrs s THR 116 CO 0.08 0.15 0.25 -0.69 -0.69 0.00 0.00 174.62 173.72 1vrs s VAL 117 N 1.57 5.28 -0.27 3.82 1.01 0.19 -4.90 120.40 127.11 1vrs s VAL 117 Ca 0.04 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1vrs s VAL 117 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1vrs s VAL 117 CO 0.04 0.27 1.40 -2.84 0.00 0.00 0.00 175.10 173.97 1vrs s PRO 118 N 1.47 3.89 0.13 2.72 0.02 -1.26 0.07 135.00 142.04 1vrs s PRO 118 Ca 0.11 1.40 -0.13 0.00 0.02 0.00 0.00 61.00 62.40 1vrs s PRO 118 Cb -0.15 -3.92 -0.07 0.00 0.02 0.00 0.00 34.50 30.38 1vrs s PRO 118 CO 0.08 -1.16 0.50 -0.51 -0.33 0.00 0.00 177.00 175.59 1vrs s LEU 119 N 4.59 4.34 0.26 -5.54 1.43 -0.22 -4.95 118.68 118.59 1vrs s LEU 119 Ca 0.61 0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.48 1vrs s LEU 119 Cb -0.19 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.75 1vrs s LEU 119 CO 0.25 0.12 0.80 -0.44 0.23 0.00 0.00 176.35 177.31 1vrs s SER 120 N -1.74 7.14 0.37 2.29 0.01 -1.26 -4.32 113.70 116.18 1vrs s SER 120 Ca 0.36 1.55 -0.26 0.00 1.31 0.00 0.00 55.95 58.92 1vrs s SER 120 Cb -0.15 -2.47 -0.12 0.00 0.21 0.00 0.00 66.02 63.49 1vrs s SER 120 CO 0.19 -0.02 1.09 1.21 0.41 0.00 0.00 173.24 176.12 1vrs n GLU 121 N 0.61 1.57 -3.56 12.44 2.13 -1.26 -4.81 120.64 127.76 1vrs n GLU 121 Ca -0.01 0.56 -0.14 0.00 0.66 0.00 0.00 57.16 58.23 1vrs n GLU 121 Cb 0.51 -2.08 -0.12 0.00 0.27 0.00 0.00 31.44 30.02 1vrs n GLU 121 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1vrs s VAL 122 N -1.17 -0.44 0.58 6.31 1.01 0.38 -4.94 120.40 122.13 1vrs s VAL 122 Ca 0.60 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1vrs s VAL 122 Cb -0.60 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1vrs s VAL 122 CO 0.59 -0.02 1.01 0.68 0.00 0.00 0.00 175.10 177.36 1vrs s VAL 123 N 2.43 4.63 0.00 2.92 -7.23 -1.26 -0.87 120.40 121.02 1vrs s VAL 123 Ca 0.05 1.01 -0.00 0.00 -1.81 0.00 0.00 61.98 61.23 1vrs s VAL 123 Cb -0.14 -3.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.00 1vrs s VAL 123 CO -0.11 -0.96 0.00 0.00 -0.31 0.00 0.00 175.10 173.72 1vrs n ALA 124 N -2.29 -0.00 -0.27 1.32 0.00 -1.26 -4.80 120.51 113.21 1vrs n ALA 124 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1vrs n ALA 124 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1vrs n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59