#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2np1 s THR 3 N -2.35 4.99 -0.54 0.00 2.01 -1.26 -4.97 115.64 113.52 2np1 s THR 3 Ca 0.37 0.70 0.10 0.00 0.31 0.00 0.00 61.69 63.17 2np1 s THR 3 Cb -0.04 -3.70 0.27 0.00 0.01 0.00 0.00 72.50 69.03 2np1 s THR 3 CO 0.23 0.37 1.22 1.17 -0.69 0.00 0.00 174.62 176.92 2np1 n LYS 4 N 1.17 2.81 -1.48 4.92 4.81 -1.26 -4.68 118.16 124.45 2np1 n LYS 4 Ca -0.09 -2.09 -0.33 0.00 -0.87 0.00 0.00 58.31 54.93 2np1 n LYS 4 Cb 0.52 -1.32 0.07 0.00 0.02 0.00 0.00 35.03 34.32 2np1 n LYS 4 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2np1 n ASN 5 N -0.02 7.22 -4.41 3.14 3.02 -1.26 -4.93 115.26 118.03 2np1 n ASN 5 Ca 0.11 -3.78 -0.36 0.00 -0.03 0.00 0.00 54.58 50.51 2np1 n ASN 5 Cb 0.48 -0.87 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 2np1 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2np1 s ALA 6 N -3.80 3.06 0.01 5.41 0.00 -1.26 -5.09 121.76 120.10 2np1 s ALA 6 Ca 0.62 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 2np1 s ALA 6 Cb 0.49 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2np1 s ALA 6 CO -0.02 -0.48 0.80 -0.51 0.00 0.00 0.00 175.76 175.56 2np1 s LEU 7 N 1.57 4.40 0.92 0.00 1.43 -1.26 -4.96 118.68 120.78 2np1 s LEU 7 Ca 0.06 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 2np1 s LEU 7 Cb -0.15 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 42.93 2np1 s LEU 7 CO 0.02 -0.08 1.09 0.00 0.23 0.00 0.00 176.35 177.60 2np1 s ALA 8 N 0.40 1.36 0.27 4.21 0.00 -1.26 -4.20 121.76 122.54 2np1 s ALA 8 Ca 0.42 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2np1 s ALA 8 Cb -0.20 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2np1 s ALA 8 CO 0.23 -2.51 1.18 -1.14 0.00 0.00 0.00 175.76 173.52 2np1 s GLN 9 N -4.89 4.53 -0.15 0.00 0.74 0.60 -4.85 119.66 115.65 2np1 s GLN 9 Ca 0.64 1.94 -0.28 0.00 0.05 0.00 0.00 55.36 57.71 2np1 s GLN 9 Cb -0.19 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 2np1 s GLN 9 CO 0.58 0.03 0.95 0.99 -0.55 0.00 0.00 175.29 177.29 2np1 s THR 10 N -0.90 4.80 -0.35 -0.34 2.01 -1.26 -2.96 115.64 116.65 2np1 s THR 10 Ca 0.48 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 64.37 2np1 s THR 10 Cb -0.34 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 67.92 2np1 s THR 10 CO 0.43 -0.02 0.15 0.61 -0.69 0.00 0.00 174.62 175.11 2np1 n GLY 11 N 3.25 0.43 3.70 4.40 0.00 -1.26 -4.97 105.19 110.74 2np1 n GLY 11 Ca 0.08 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2np1 n GLY 11 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2np1 s PHE 12 N -2.71 2.76 -0.50 1.61 5.36 -1.15 -4.97 117.98 118.38 2np1 s PHE 12 Ca 0.08 0.56 -0.19 0.00 -0.96 0.00 0.00 56.93 56.41 2np1 s PHE 12 Cb -0.03 -3.87 0.05 0.00 -0.34 0.00 0.00 43.02 38.83 2np1 s PHE 12 CO 0.09 -3.33 0.64 1.21 -1.46 0.00 0.00 175.22 172.37 2np1 s ASN 13 N 1.83 6.24 0.38 6.13 3.04 -1.26 -4.90 114.94 126.39 2np1 s ASN 13 Ca 0.70 -0.83 0.15 0.00 0.04 0.00 0.00 52.86 52.92 2np1 s ASN 13 Cb -0.39 -2.30 0.74 0.00 -1.54 0.00 0.00 41.25 37.77 2np1 s ASN 13 CO 0.31 -0.89 1.81 0.07 -3.04 0.00 0.00 177.10 175.36 2np1 h LYS 14 N 8.99 0.00 -0.69 0.43 2.10 -2.00 -3.05 116.57 122.35 2np1 h LYS 14 Ca -0.27 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.40 2np1 h LYS 14 Cb 1.09 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.39 2np1 h LYS 14 CO 0.96 0.38 0.46 -0.44 -2.00 0.00 0.00 179.45 178.81 2np1 h ASP 15 N 0.00 0.76 0.08 7.07 3.32 -1.90 0.13 116.42 125.87 2np1 h ASP 15 Ca -0.00 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 2np1 h ASP 15 Cb 0.72 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 40.11 2np1 h ASP 15 CO 0.05 0.53 -0.96 0.11 -1.72 0.00 0.00 179.24 177.25 2np1 h LYS 16 N 0.88 0.52 -0.07 3.56 1.57 -1.95 -3.34 116.57 117.73 2np1 h LYS 16 Ca 0.27 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2np1 h LYS 16 Cb -0.02 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2np1 h LYS 16 CO -0.07 1.27 -0.01 -0.92 -0.57 0.00 0.00 179.45 179.16 2np1 h TYR 17 N 0.07 0.15 -1.27 -1.35 3.20 -1.47 -3.29 116.97 113.01 2np1 h TYR 17 Ca -0.14 -0.03 -0.62 0.00 3.14 0.00 0.00 58.73 61.08 2np1 h TYR 17 Cb 1.67 -0.04 -0.18 0.00 1.54 0.00 0.00 36.73 39.73 2np1 h TYR 17 CO 0.14 0.42 1.11 1.19 -1.64 0.00 0.00 178.16 179.38 2np1 n PHE 18 N -4.83 2.11 0.44 -3.82 3.72 0.01 -4.62 117.46 110.47 2np1 n PHE 18 Ca -0.07 -2.28 0.11 0.00 -0.05 0.00 0.00 57.45 55.16 2np1 n PHE 18 Cb 0.20 -1.48 0.27 0.00 -0.94 0.00 0.00 39.48 37.53 2np1 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2np1 n ASN 19 N 0.92 2.96 0.00 4.37 6.94 -1.17 -4.36 115.26 124.92 2np1 n ASN 19 Ca 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 2np1 n ASN 19 Cb 0.41 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 2np1 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2np1 n GLY 20 N 1.40 0.75 3.97 4.83 0.00 0.10 -4.95 105.19 111.29 2np1 n GLY 20 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2np1 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2np1 s ASP 21 N -2.52 5.85 0.20 1.61 2.15 -1.25 -4.74 116.67 117.98 2np1 s ASP 21 Ca 0.00 0.06 -0.18 0.00 0.43 0.00 0.00 52.55 52.86 2np1 s ASP 21 Cb 0.00 -1.36 -0.08 0.00 -0.30 0.00 0.00 42.92 41.18 2np1 s ASP 21 CO 0.00 -0.62 0.68 -0.69 -0.17 0.00 0.00 175.17 174.38 2np1 s VAL 22 N -2.41 4.63 -0.06 1.11 1.01 -1.26 -3.11 120.40 120.32 2np1 s VAL 22 Ca 0.48 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.68 2np1 s VAL 22 Cb -0.10 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 2np1 s VAL 22 CO 0.35 0.22 -0.20 0.26 0.00 0.00 0.00 175.10 175.73 2np1 s TRP 23 N -1.51 2.01 0.06 5.22 0.52 0.27 -4.62 118.94 120.90 2np1 s TRP 23 Ca 0.42 -0.65 0.02 0.00 0.02 0.00 0.00 56.10 55.91 2np1 s TRP 23 Cb -0.16 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 2np1 s TRP 23 CO 0.20 -0.24 0.07 0.71 0.02 0.00 0.00 176.95 177.72 2np1 s TYR 24 N 0.12 3.20 -0.28 -1.98 1.51 -0.26 -1.10 117.35 118.55 2np1 s TYR 24 Ca -0.08 0.10 -0.19 0.00 -1.01 0.00 0.00 57.07 55.89 2np1 s TYR 24 Cb -0.14 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2np1 s TYR 24 CO 0.04 0.52 0.58 0.08 -1.11 0.00 0.00 175.55 175.66 2np1 s VAL 25 N -1.33 5.00 -0.19 0.71 1.01 -0.50 -1.99 120.40 123.11 2np1 s VAL 25 Ca 0.28 0.91 0.06 0.00 0.00 0.00 0.00 61.98 63.22 2np1 s VAL 25 Cb -0.12 -3.92 -0.22 0.00 0.00 0.00 0.00 36.38 32.12 2np1 s VAL 25 CO 0.20 -0.02 0.08 0.35 0.00 0.00 0.00 175.10 175.71 2np1 n THR 26 N 5.26 1.54 -3.98 3.92 -2.24 0.60 -4.67 114.28 114.70 2np1 n THR 26 Ca -0.02 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 2np1 n THR 26 Cb 0.49 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.44 2np1 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2np1 s ASP 27 N -6.29 0.25 0.00 3.42 1.11 -1.16 -0.40 116.67 113.60 2np1 s ASP 27 Ca -0.22 -0.58 -0.21 0.00 0.18 0.00 0.00 52.55 51.73 2np1 s ASP 27 Cb 0.08 0.16 0.04 0.00 1.07 0.00 0.00 42.92 44.27 2np1 s ASP 27 CO 0.72 -0.42 0.46 -0.72 1.18 0.00 0.00 175.17 176.39 2np1 s TYR 28 N -2.22 -0.35 -0.23 4.23 -0.85 0.05 -0.98 117.35 117.00 2np1 s TYR 28 Ca -0.09 0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.97 2np1 s TYR 28 Cb -0.04 0.24 0.05 0.00 0.38 0.00 0.00 41.96 42.60 2np1 s TYR 28 CO -0.03 -0.53 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.20 2np1 s LEU 29 N -1.59 2.85 -0.19 -3.49 2.96 0.18 -0.50 118.68 118.90 2np1 s LEU 29 Ca -0.09 -1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 52.55 2np1 s LEU 29 Cb -0.02 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 2np1 s LEU 29 CO 0.03 -0.18 0.12 -0.62 -1.32 0.00 0.00 176.35 174.38 2np1 s ASP 30 N 1.26 6.14 -0.09 3.68 -1.08 -1.26 -0.44 116.67 124.87 2np1 s ASP 30 Ca -0.05 0.24 0.18 0.00 -0.52 0.00 0.00 52.55 52.39 2np1 s ASP 30 Cb -0.18 -2.06 -0.24 0.00 -1.46 0.00 0.00 42.92 38.97 2np1 s ASP 30 CO -0.07 0.21 0.37 0.18 0.52 0.00 0.00 175.17 176.39 2np1 n LEU 31 N 3.32 0.26 -3.85 -1.34 4.77 -0.74 -4.52 117.00 114.91 2np1 n LEU 31 Ca -0.17 0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.57 2np1 n LEU 31 Cb 0.52 0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 2np1 n LEU 31 CO 0.36 0.30 0.56 1.21 -1.33 0.00 0.00 177.39 178.48 2np1 n GLU 32 N -2.69 3.30 -0.50 3.23 2.13 -1.26 -4.97 120.64 119.88 2np1 n GLU 32 Ca -0.20 -4.57 -0.15 0.00 0.66 0.00 0.00 57.16 52.89 2np1 n GLU 32 Cb 0.95 -2.40 0.13 0.00 0.27 0.00 0.00 31.44 30.39 2np1 n GLU 32 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2np1 n PRO 33 N 1.46 -2.23 -3.95 5.31 -0.02 -1.26 -4.95 135.00 129.36 2np1 n PRO 33 Ca 0.26 -0.89 -0.23 0.00 -2.02 0.00 0.00 63.50 60.63 2np1 n PRO 33 Cb 0.37 -0.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.94 2np1 n PRO 33 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2np1 s ASP 34 N -2.99 4.74 -0.07 2.55 -1.08 -1.26 -5.06 116.67 113.50 2np1 s ASP 34 Ca 0.36 -0.84 -0.10 0.00 -0.52 0.00 0.00 52.55 51.45 2np1 s ASP 34 Cb -0.04 -0.63 -0.06 0.00 -1.46 0.00 0.00 42.92 40.73 2np1 s ASP 34 CO 0.28 -0.47 0.39 -2.24 0.52 0.00 0.00 175.17 173.66 2np1 h ASP 35 N 1.36 -0.21 -2.63 -0.34 2.03 -2.05 -3.40 116.42 111.18 2np1 h ASP 35 Ca -0.43 -0.08 -0.58 0.00 -0.73 0.00 0.00 57.03 55.21 2np1 h ASP 35 Cb 1.26 0.05 -0.11 0.00 -0.83 0.00 0.00 39.33 39.70 2np1 h ASP 35 CO 0.63 0.29 0.80 0.68 -1.03 0.00 0.00 179.24 180.61 2np1 s VAL 36 N -2.53 4.05 0.07 4.15 -7.23 -1.26 -5.00 120.40 112.65 2np1 s VAL 36 Ca -0.06 0.13 -0.36 0.00 -1.81 0.00 0.00 61.98 59.89 2np1 s VAL 36 Cb 0.00 -4.77 -0.15 0.00 0.56 0.00 0.00 36.38 32.02 2np1 s VAL 36 CO 0.18 -1.58 1.53 -0.81 -0.31 0.00 0.00 175.10 174.11 2np1 n PRO 37 N 8.45 1.68 -3.87 4.82 -0.04 -1.26 -5.05 135.00 139.73 2np1 n PRO 37 Ca 0.01 0.61 -0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2np1 n PRO 37 Cb 0.47 -2.33 -0.12 0.00 -0.04 0.00 0.00 33.50 31.48 2np1 n PRO 37 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2np1 s LYS 38 N 1.26 0.19 -0.28 0.54 2.20 -1.26 -5.14 119.74 117.25 2np1 s LYS 38 Ca 0.84 -0.07 -0.10 0.00 -0.36 0.00 0.00 55.97 56.28 2np1 s LYS 38 Cb -0.82 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.54 2np1 s LYS 38 CO 0.45 -0.03 0.16 -0.98 -0.36 0.00 0.00 175.35 174.59 2np1 s ARG 39 N -0.40 3.75 0.35 4.03 1.04 -1.26 -5.09 118.95 121.37 2np1 s ARG 39 Ca -0.05 -0.45 0.09 0.00 -1.04 0.00 0.00 55.73 54.28 2np1 s ARG 39 Cb -0.03 -3.59 -0.05 0.00 -2.04 0.00 0.00 34.95 29.24 2np1 s ARG 39 CO 0.00 -0.24 0.07 0.71 -0.04 0.00 0.00 175.30 175.80 2np1 s TYR 40 N 1.70 2.61 -0.02 5.89 1.51 -1.26 -4.53 117.35 123.26 2np1 s TYR 40 Ca 0.06 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 2np1 s TYR 40 Cb -0.16 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2np1 s TYR 40 CO 0.09 0.40 -0.15 0.00 -1.11 0.00 0.00 175.55 174.78 2np1 s ALA 42 N -0.25 -1.01 0.16 0.00 0.00 -1.26 -1.07 121.76 118.33 2np1 s ALA 42 Ca 0.04 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 2np1 s ALA 42 Cb -0.07 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2np1 s ALA 42 CO -0.00 -0.28 0.34 0.00 0.00 0.00 0.00 175.76 175.82 2np1 s ALA 43 N -1.26 -0.34 0.04 0.00 0.00 -0.62 -1.41 121.76 118.16 2np1 s ALA 43 Ca -0.13 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 2np1 s ALA 43 Cb -0.04 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.91 2np1 s ALA 43 CO 0.05 -0.67 0.40 -0.48 0.00 0.00 0.00 175.76 175.07 2np1 s LEU 44 N -2.92 0.44 -0.06 0.00 0.05 -0.26 -1.51 118.68 114.42 2np1 s LEU 44 Ca 0.12 0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.34 2np1 s LEU 44 Cb 0.02 1.70 0.01 0.00 -2.05 0.00 0.00 46.19 45.87 2np1 s LEU 44 CO -0.03 -0.65 -0.15 0.00 -0.55 0.00 0.00 176.35 174.98 2np1 s ALA 45 N -2.38 1.40 -0.02 1.48 0.00 -0.32 -0.56 121.76 121.36 2np1 s ALA 45 Ca -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2np1 s ALA 45 Cb -0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 2np1 s ALA 45 CO -0.02 0.17 -0.11 0.00 0.00 0.00 0.00 175.76 175.81 2np1 s ALA 46 N 0.45 0.98 0.00 0.00 0.00 -1.18 -1.19 121.76 120.82 2np1 s ALA 46 Ca -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2np1 s ALA 46 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2np1 s ALA 46 CO 0.04 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.40 2np1 n GLY 47 N 3.08 1.93 3.31 0.00 0.00 -0.93 0.00 105.19 112.58 2np1 n GLY 47 Ca -0.16 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2np1 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2np1 s THR 48 N -1.43 1.79 -0.23 2.61 -4.23 -1.26 -0.56 115.64 112.33 2np1 s THR 48 Ca 0.00 -1.65 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 2np1 s THR 48 Cb 0.00 -1.66 0.08 0.00 1.34 0.00 0.00 72.50 72.26 2np1 s THR 48 CO 0.00 -0.10 0.56 0.00 -0.54 0.00 0.00 174.62 174.54 2np1 s ALA 49 N -1.34 -1.52 -1.46 3.99 0.00 -0.35 -4.90 121.76 116.19 2np1 s ALA 49 Ca 0.09 2.00 -0.09 0.00 0.00 0.00 0.00 51.96 53.96 2np1 s ALA 49 Cb -0.09 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.79 2np1 s ALA 49 CO 0.05 -0.44 0.80 0.43 0.00 0.00 0.00 175.76 176.61 2np1 n SER 50 N 4.53 -5.48 0.00 0.00 7.64 -1.26 -1.77 113.62 117.28 2np1 n SER 50 Ca -0.19 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2np1 n SER 50 Cb 0.56 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 2np1 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2np1 n GLY 51 N -1.61 2.96 3.90 0.23 0.00 -1.26 -5.01 105.19 104.40 2np1 n GLY 51 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2np1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2np1 s LYS 52 N -0.01 3.35 0.06 1.61 -0.14 -0.73 -5.07 119.74 118.81 2np1 s LYS 52 Ca 0.00 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 53.80 2np1 s LYS 52 Cb 0.00 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.13 2np1 s LYS 52 CO 0.00 0.59 1.06 -0.51 -0.76 0.00 0.00 175.35 175.73 2np1 s LEU 53 N -2.61 4.40 0.17 3.17 1.43 -1.26 -1.21 118.68 122.78 2np1 s LEU 53 Ca 0.34 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.36 2np1 s LEU 53 Cb -0.13 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2np1 s LEU 53 CO 0.27 -0.29 -0.15 -0.54 0.23 0.00 0.00 176.35 175.87 2np1 s LYS 54 N 0.69 1.22 -0.03 1.70 -0.14 0.27 -0.69 119.74 122.77 2np1 s LYS 54 Ca 0.53 -1.46 -0.02 0.00 -1.36 0.00 0.00 55.97 53.66 2np1 s LYS 54 Cb -0.25 -1.06 0.02 0.00 -1.68 0.00 0.00 37.83 34.85 2np1 s LYS 54 CO 0.30 0.19 0.08 -2.00 -0.76 0.00 0.00 175.35 173.16 2np1 s GLU 55 N -3.27 0.06 -0.05 1.68 2.12 0.49 -2.20 118.70 117.54 2np1 s GLU 55 Ca 0.17 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.73 2np1 s GLU 55 Cb -0.02 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.28 2np1 s GLU 55 CO 0.05 -0.08 -0.16 0.00 -0.54 0.00 0.00 175.26 174.54 2np1 s ALA 56 N 0.50 2.59 0.10 6.30 0.00 -0.34 -0.39 121.76 130.52 2np1 s ALA 56 Ca -0.04 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2np1 s ALA 56 Cb -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 2np1 s ALA 56 CO -0.02 0.54 -0.21 -1.17 0.00 0.00 0.00 175.76 174.90 2np1 s LEU 57 N -0.67 2.30 -0.02 0.00 2.96 0.14 -1.18 118.68 122.21 2np1 s LEU 57 Ca 0.10 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 2np1 s LEU 57 Cb -0.11 -0.92 0.02 0.00 0.50 0.00 0.00 46.19 45.69 2np1 s LEU 57 CO 0.00 0.07 0.05 -0.47 -1.32 0.00 0.00 176.35 174.68 2np1 s TYR 58 N -1.15 -0.02 0.00 5.38 5.04 -0.57 -2.31 117.35 123.71 2np1 s TYR 58 Ca 0.07 0.17 0.04 0.00 -2.44 0.00 0.00 57.07 54.91 2np1 s TYR 58 Cb -0.10 -0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.08 2np1 s TYR 58 CO 0.04 -0.07 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.04 2np1 s HIS 59 N 0.68 1.12 -0.02 4.97 3.76 -0.86 -1.58 115.29 123.36 2np1 s HIS 59 Ca -0.06 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 54.60 2np1 s HIS 59 Cb -0.08 -0.71 0.01 0.00 1.11 0.00 0.00 32.58 32.91 2np1 s HIS 59 CO -0.02 -0.01 0.04 -0.47 -0.85 0.00 0.00 174.74 173.43 2np1 s TYR 60 N -0.41 -0.04 -0.23 1.40 5.04 -0.23 -2.10 117.35 120.77 2np1 s TYR 60 Ca 0.04 0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 2np1 s TYR 60 Cb -0.05 0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.30 2np1 s TYR 60 CO -0.00 -0.03 -0.13 0.34 -1.34 0.00 0.00 175.55 174.39 2np1 s ASP 61 N 0.08 3.98 0.14 4.32 2.15 -0.02 -1.96 116.67 125.37 2np1 s ASP 61 Ca -0.00 -1.08 -0.12 0.00 0.43 0.00 0.00 52.55 51.77 2np1 s ASP 61 Cb -0.01 -1.54 -0.00 0.00 -0.30 0.00 0.00 42.92 41.07 2np1 s ASP 61 CO -0.00 -0.12 1.56 1.55 -0.17 0.00 0.00 175.17 177.99 2np1 h PRO 62 N 7.86 0.86 0.04 4.34 0.13 -1.86 0.72 132.00 144.09 2np1 h PRO 62 Ca -0.30 -0.31 0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2np1 h PRO 62 Cb 1.08 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 2np1 h PRO 62 CO 0.54 0.95 -0.41 -0.22 -0.23 0.00 0.00 178.00 178.62 2np1 h LYS 63 N 0.70 -0.53 0.00 0.86 3.64 -1.90 -2.87 116.57 116.46 2np1 h LYS 63 Ca 0.12 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2np1 h LYS 63 Cb 0.61 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2np1 h LYS 63 CO 0.04 -0.35 -0.23 1.79 -2.27 0.00 0.00 179.45 178.43 2np1 h THR 64 N -0.55 0.00 -0.56 1.00 1.35 -2.00 -3.47 112.91 108.68 2np1 h THR 64 Ca 0.00 -0.91 -0.24 0.00 -0.55 0.00 0.00 66.41 64.71 2np1 h THR 64 Cb 0.57 1.79 -0.10 0.00 -1.73 0.00 0.00 68.15 68.68 2np1 h THR 64 CO -0.25 0.00 -0.22 1.67 -0.25 0.00 0.00 175.52 176.47 2np1 n GLN 65 N -2.86 -0.99 -3.27 4.72 7.27 0.25 -4.98 117.38 117.50 2np1 n GLN 65 Ca 0.03 0.89 -0.36 0.00 0.07 0.00 0.00 57.00 57.64 2np1 n GLN 65 Cb 0.52 -4.96 -0.06 0.00 2.41 0.00 0.00 30.24 28.15 2np1 n GLN 65 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2np1 s ASP 66 N -2.74 6.90 0.04 1.69 -1.08 -1.01 -4.85 116.67 115.62 2np1 s ASP 66 Ca 0.00 1.19 0.00 0.00 -0.52 0.00 0.00 52.55 53.22 2np1 s ASP 66 Cb 0.00 -2.33 -0.03 0.00 -1.46 0.00 0.00 42.92 39.10 2np1 s ASP 66 CO 0.00 0.08 -0.04 0.42 0.52 0.00 0.00 175.17 176.15 2np1 s THR 67 N -1.48 0.27 0.02 1.71 -4.23 -1.26 -0.84 115.64 109.83 2np1 s THR 67 Ca 0.39 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2np1 s THR 67 Cb -0.16 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2np1 s THR 67 CO 0.20 -0.70 0.06 0.72 -0.54 0.00 0.00 174.62 174.36 2np1 s PHE 68 N -2.56 0.17 0.12 3.99 -0.71 -0.89 -5.01 117.98 113.10 2np1 s PHE 68 Ca -0.04 -0.39 0.10 0.00 -1.04 0.00 0.00 56.93 55.56 2np1 s PHE 68 Cb -0.02 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 2np1 s PHE 68 CO -0.04 -0.27 -0.25 0.71 -1.34 0.00 0.00 175.22 174.02 2np1 s TYR 69 N -1.78 2.14 0.01 3.49 1.51 -1.25 -2.03 117.35 119.45 2np1 s TYR 69 Ca -0.12 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 2np1 s TYR 69 Cb -0.06 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2np1 s TYR 69 CO -0.01 0.30 0.02 -0.51 -1.11 0.00 0.00 175.55 174.24 2np1 s ASP 70 N -2.02 0.13 -0.01 2.29 1.01 -0.98 -1.24 116.67 115.85 2np1 s ASP 70 Ca 0.12 -0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.10 2np1 s ASP 70 Cb -0.10 0.12 -0.01 0.00 1.01 0.00 0.00 42.92 43.95 2np1 s ASP 70 CO 0.05 -0.26 -0.11 -0.69 0.21 0.00 0.00 175.17 174.38 2np1 s VAL 71 N -1.13 0.89 0.08 -1.27 1.01 -0.79 -0.69 120.40 118.50 2np1 s VAL 71 Ca -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2np1 s VAL 71 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2np1 s VAL 71 CO -0.00 0.26 -0.06 -0.44 0.00 0.00 0.00 175.10 174.85 2np1 s SER 72 N -0.13 0.98 -0.17 3.32 0.01 0.47 -1.88 113.70 116.31 2np1 s SER 72 Ca 0.02 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.34 2np1 s SER 72 Cb -0.06 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 2np1 s SER 72 CO -0.00 -0.44 -0.10 -0.70 0.41 0.00 0.00 173.24 172.41 2np1 s GLU 73 N -3.44 3.37 0.08 12.44 2.12 -1.26 -0.38 118.70 131.64 2np1 s GLU 73 Ca 0.07 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 54.68 2np1 s GLU 73 Cb 0.03 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.59 2np1 s GLU 73 CO -0.05 0.05 0.33 -0.51 -0.54 0.00 0.00 175.26 174.54 2np1 s LEU 74 N 0.80 4.32 -0.15 2.70 1.43 0.14 -3.73 118.68 124.19 2np1 s LEU 74 Ca -0.04 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2np1 s LEU 74 Cb -0.15 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 2np1 s LEU 74 CO 0.01 0.14 -0.10 -1.10 0.23 0.00 0.00 176.35 175.53 2np1 s GLN 75 N -2.25 3.42 -0.49 1.70 -0.21 0.00 -4.47 119.66 117.36 2np1 s GLN 75 Ca 0.35 -0.65 -0.28 0.00 0.02 0.00 0.00 55.36 54.80 2np1 s GLN 75 Cb -0.13 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.18 2np1 s GLN 75 CO 0.21 0.15 1.09 -2.00 -2.12 0.00 0.00 175.29 172.63 2np1 s GLU 76 N 0.53 3.64 0.01 2.91 2.12 -1.26 -1.17 118.70 125.48 2np1 s GLU 76 Ca -0.07 0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.56 2np1 s GLU 76 Cb -0.15 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.25 2np1 s GLU 76 CO 0.04 -1.40 0.95 0.93 -0.54 0.00 0.00 175.26 175.24 2np1 h GLU 77 N 9.25 -0.36 -4.79 4.30 3.07 -0.41 -3.48 114.58 122.16 2np1 h GLU 77 Ca -0.24 0.02 -0.38 0.00 -0.50 0.00 0.00 59.36 58.27 2np1 h GLU 77 Cb 1.06 0.08 -0.14 0.00 -0.84 0.00 0.00 28.75 28.92 2np1 h GLU 77 CO 1.11 -0.24 -0.55 -1.54 -1.40 0.00 0.00 179.01 176.40 2np1 s SER 78 N -2.94 1.14 0.10 1.42 1.04 -1.18 -5.02 113.70 108.26 2np1 s SER 78 Ca -0.06 -1.60 -0.31 0.00 0.48 0.00 0.00 55.95 54.47 2np1 s SER 78 Cb 0.01 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.50 2np1 s SER 78 CO 0.17 -0.96 1.81 -2.84 0.98 0.00 0.00 173.24 172.40 2np1 s PRO 79 N -3.76 4.15 0.00 4.02 0.02 -1.26 -1.66 135.00 136.51 2np1 s PRO 79 Ca 0.39 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2np1 s PRO 79 Cb 0.04 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.91 2np1 s PRO 79 CO 0.20 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 2np1 n GLY 80 N 4.22 0.93 3.03 0.52 0.00 -1.26 -4.77 105.19 107.87 2np1 n GLY 80 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2np1 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2np1 s LYS 81 N -0.59 2.31 0.15 1.61 1.02 -0.66 -0.21 119.74 123.36 2np1 s LYS 81 Ca 0.00 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.22 2np1 s LYS 81 Cb 0.00 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2np1 s LYS 81 CO 0.00 -0.36 -0.13 0.71 -0.92 0.00 0.00 175.35 174.66 2np1 s TYR 82 N 1.36 1.42 -0.09 3.18 1.51 0.78 0.40 117.35 125.91 2np1 s TYR 82 Ca 0.01 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 2np1 s TYR 82 Cb -0.15 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.97 2np1 s TYR 82 CO -0.09 0.17 -0.20 0.99 -1.11 0.00 0.00 175.55 175.31 2np1 s THR 83 N -2.74 2.48 -0.08 -0.71 2.01 -0.32 -0.63 115.64 115.65 2np1 s THR 83 Ca 0.15 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2np1 s THR 83 Cb -0.01 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2np1 s THR 83 CO 0.03 0.56 -0.17 0.00 -0.69 0.00 0.00 174.62 174.35 2np1 s ALA 84 N 0.04 1.63 -0.44 7.40 0.00 0.21 -0.82 121.76 129.78 2np1 s ALA 84 Ca -0.08 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2np1 s ALA 84 Cb -0.15 -0.68 0.08 0.00 0.00 0.00 0.00 23.12 22.37 2np1 s ALA 84 CO 0.05 0.16 0.30 -0.80 0.00 0.00 0.00 175.76 175.48 2np1 s ASN 85 N 0.57 5.78 0.35 0.00 -0.87 -1.24 -0.62 114.94 118.91 2np1 s ASN 85 Ca -0.15 -1.49 -0.05 0.00 -1.57 0.00 0.00 52.86 49.59 2np1 s ASN 85 Cb -0.17 -2.04 -0.05 0.00 -0.02 0.00 0.00 41.25 38.97 2np1 s ASN 85 CO 0.05 -0.58 0.63 0.72 -2.57 0.00 0.00 177.10 175.36 2np1 s PHE 86 N 1.48 3.49 -0.04 2.20 -0.71 -1.26 -4.05 117.98 119.10 2np1 s PHE 86 Ca 0.03 0.72 0.03 0.00 -1.04 0.00 0.00 56.93 56.67 2np1 s PHE 86 Cb -0.24 -2.18 0.00 0.00 -1.21 0.00 0.00 43.02 39.40 2np1 s PHE 86 CO 0.03 0.04 -0.13 -1.59 -1.34 0.00 0.00 175.22 172.23 2np1 s LYS 87 N -3.89 1.39 -0.00 1.99 -2.85 -0.79 -4.25 119.74 111.34 2np1 s LYS 87 Ca 0.45 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.69 2np1 s LYS 87 Cb -0.10 -1.23 -0.04 0.00 -2.06 0.00 0.00 37.83 34.40 2np1 s LYS 87 CO 0.33 0.14 1.09 0.21 0.10 0.00 0.00 175.35 177.23 2np1 s LYS 88 N 0.23 4.46 0.28 1.78 2.20 -0.22 -1.88 119.74 126.59 2np1 s LYS 88 Ca -0.05 1.58 0.03 0.00 -0.36 0.00 0.00 55.97 57.16 2np1 s LYS 88 Cb -0.11 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 2np1 s LYS 88 CO 0.02 -0.22 0.04 0.14 -0.36 0.00 0.00 175.35 174.97 2np1 s VAL 89 N 1.35 1.01 0.47 4.02 -7.23 -0.38 -0.50 120.40 119.15 2np1 s VAL 89 Ca 0.54 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2np1 s VAL 89 Cb -0.24 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2np1 s VAL 89 CO 0.26 -0.11 0.71 -1.61 -0.31 0.00 0.00 175.10 174.04 2np1 s GLU 90 N -3.91 3.11 0.62 4.82 0.41 -0.29 -3.76 118.70 119.70 2np1 s GLU 90 Ca 0.34 -0.34 0.41 0.00 -0.41 0.00 0.00 54.97 54.97 2np1 s GLU 90 Cb 0.07 -2.50 2.26 0.00 -1.78 0.00 0.00 34.13 32.18 2np1 s GLU 90 CO 0.13 -0.30 2.27 1.57 -0.49 0.00 0.00 175.26 178.43 2np1 h LYS 91 N 0.32 0.00 -0.01 1.61 2.10 -1.96 0.31 116.57 118.94 2np1 h LYS 91 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2np1 h LYS 91 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2np1 h LYS 91 CO 0.58 0.00 -0.26 0.27 -2.00 0.00 0.00 179.45 178.04 2np1 n ASN 92 N -2.96 0.87 0.00 7.07 0.23 -1.26 -4.85 115.26 114.36 2np1 n ASN 92 Ca -0.03 -0.75 0.00 0.00 -0.53 0.00 0.00 54.58 53.27 2np1 n ASN 92 Cb 0.07 0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 2np1 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2np1 n GLY 93 N 1.35 0.61 3.74 4.83 0.00 0.11 -5.05 105.19 110.78 2np1 n GLY 93 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2np1 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2np1 s ASN 94 N -2.82 6.93 -0.13 1.61 0.01 -1.26 -4.68 114.94 114.60 2np1 s ASN 94 Ca 0.00 2.40 -0.29 0.00 -0.71 0.00 0.00 52.86 54.26 2np1 s ASN 94 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2np1 s ASN 94 CO 0.00 -0.48 1.18 -0.69 -1.51 0.00 0.00 177.10 175.60 2np1 s VAL 95 N -0.13 4.39 -0.25 1.60 1.01 -1.26 -1.14 120.40 124.62 2np1 s VAL 95 Ca 0.54 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 64.05 2np1 s VAL 95 Cb -0.36 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 2np1 s VAL 95 CO 0.40 -0.08 -0.18 0.29 0.00 0.00 0.00 175.10 175.53 2np1 n LYS 96 N 5.88 0.58 -3.93 2.72 5.02 0.34 -4.89 118.16 123.89 2np1 n LYS 96 Ca 0.12 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.48 2np1 n LYS 96 Cb 0.46 -1.57 -0.16 0.00 -0.02 0.00 0.00 35.03 33.74 2np1 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2np1 s VAL 97 N -2.48 1.35 1.04 -0.18 1.01 -0.92 -4.98 120.40 115.24 2np1 s VAL 97 Ca -0.35 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 2np1 s VAL 97 Cb 0.11 -1.55 0.21 0.00 0.00 0.00 0.00 36.38 35.16 2np1 s VAL 97 CO 0.51 0.05 1.08 -0.62 0.00 0.00 0.00 175.10 176.13 2np1 s ASP 98 N 1.51 2.27 0.17 3.32 2.15 -1.26 -1.05 116.67 123.77 2np1 s ASP 98 Ca -0.02 1.22 -0.31 0.00 0.43 0.00 0.00 52.55 53.87 2np1 s ASP 98 Cb -0.17 -1.91 -0.10 0.00 -0.30 0.00 0.00 42.92 40.45 2np1 s ASP 98 CO -0.07 -3.36 1.55 -0.69 -0.17 0.00 0.00 175.17 172.42 2np1 s VAL 99 N -2.88 2.67 0.14 1.11 1.01 -1.26 -4.76 120.40 116.42 2np1 s VAL 99 Ca 0.66 0.49 0.09 0.00 0.00 0.00 0.00 61.98 63.21 2np1 s VAL 99 Cb -0.20 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2np1 s VAL 99 CO 0.59 0.04 -0.20 -0.89 0.00 0.00 0.00 175.10 174.64 2np1 s THR 100 N 1.05 1.83 0.30 3.92 2.01 -1.26 -5.08 115.64 118.41 2np1 s THR 100 Ca 0.69 -1.77 0.15 0.00 0.31 0.00 0.00 61.69 61.06 2np1 s THR 100 Cb -0.43 -1.76 0.09 0.00 0.01 0.00 0.00 72.50 70.41 2np1 s THR 100 CO 0.32 -0.19 1.77 0.28 -0.69 0.00 0.00 174.62 176.11 2np1 h SER 101 N 3.59 0.00 -0.20 3.53 0.02 -1.99 -3.05 113.55 115.45 2np1 h SER 101 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2np1 h SER 101 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2np1 h SER 101 CO 0.46 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2np1 n GLY 102 N -0.13 0.71 3.21 -3.77 0.00 -1.26 -4.76 105.19 99.19 2np1 n GLY 102 Ca -0.01 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2np1 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2np1 s ASN 103 N -1.63 5.62 0.21 1.61 -0.87 -1.16 -2.07 114.94 116.66 2np1 s ASN 103 Ca 0.34 -1.83 -0.21 0.00 -1.57 0.00 0.00 52.86 49.59 2np1 s ASN 103 Cb 0.19 -1.98 0.04 0.00 -0.02 0.00 0.00 41.25 39.48 2np1 s ASN 103 CO 0.29 -0.64 0.62 -0.72 -2.57 0.00 0.00 177.10 174.08 2np1 s TYR 104 N 1.35 -0.28 0.02 2.20 1.13 0.13 -4.02 117.35 117.87 2np1 s TYR 104 Ca 0.05 -0.06 0.01 0.00 -1.41 0.00 0.00 57.07 55.66 2np1 s TYR 104 Cb -0.25 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2np1 s TYR 104 CO -0.01 -1.01 -0.04 1.52 -2.51 0.00 0.00 175.55 173.51 2np1 s TYR 105 N -3.85 0.33 0.00 -3.49 -0.85 0.21 0.17 117.35 109.87 2np1 s TYR 105 Ca 0.07 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 2np1 s TYR 105 Cb -0.03 -0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.07 2np1 s TYR 105 CO -0.03 -0.12 -0.17 0.95 -1.52 0.00 0.00 175.55 174.66 2np1 s THR 106 N -1.09 2.82 0.01 -3.49 -4.23 -0.47 0.63 115.64 109.82 2np1 s THR 106 Ca -0.11 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2np1 s THR 106 Cb -0.08 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 2np1 s THR 106 CO -0.00 0.45 0.01 0.72 -0.54 0.00 0.00 174.62 175.26 2np1 s PHE 107 N -0.83 0.15 -0.11 3.99 -0.71 0.20 -1.41 117.98 119.26 2np1 s PHE 107 Ca 0.13 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 2np1 s PHE 107 Cb -0.10 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 2np1 s PHE 107 CO 0.03 -0.16 -0.22 0.99 -1.34 0.00 0.00 175.22 174.51 2np1 s THR 108 N -1.08 2.01 -0.49 -4.49 2.01 -0.76 -0.16 115.64 112.68 2np1 s THR 108 Ca -0.12 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 2np1 s THR 108 Cb -0.07 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.72 2np1 s THR 108 CO -0.00 0.54 0.81 -0.69 -0.69 0.00 0.00 174.62 174.59 2np1 s VAL 109 N 0.56 4.60 -0.27 3.82 1.01 0.71 -1.48 120.40 129.35 2np1 s VAL 109 Ca -0.14 0.23 0.19 0.00 0.00 0.00 0.00 61.98 62.26 2np1 s VAL 109 Cb -0.17 -4.39 0.13 0.00 0.00 0.00 0.00 36.38 31.95 2np1 s VAL 109 CO 0.04 -0.86 1.36 0.24 0.00 0.00 0.00 175.10 175.88 2np1 h MET 110 N 9.09 0.00 -1.75 2.72 2.86 -1.18 0.17 114.93 126.84 2np1 h MET 110 Ca -0.26 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 2np1 h MET 110 Cb 1.08 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.51 2np1 h MET 110 CO 1.00 0.21 0.34 -0.47 1.06 0.00 0.00 176.91 179.05 2np1 s TYR 111 N -3.12 -0.57 -0.10 -0.22 5.04 -1.05 -3.84 117.35 113.49 2np1 s TYR 111 Ca 0.03 1.31 -0.30 0.00 -2.44 0.00 0.00 57.07 55.67 2np1 s TYR 111 Cb 0.07 0.35 0.08 0.00 0.35 0.00 0.00 41.96 42.81 2np1 s TYR 111 CO 0.73 -0.33 0.73 0.00 -1.34 0.00 0.00 175.55 175.35 2np1 s ALA 112 N -0.07 -1.80 0.00 3.97 0.00 -1.26 -0.90 121.76 121.70 2np1 s ALA 112 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2np1 s ALA 112 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2np1 s ALA 112 CO -0.01 -0.36 0.00 -0.40 0.00 0.00 0.00 175.76 174.99 2np1 n ASP 113 N 1.14 0.00 0.29 0.00 5.68 -0.05 -4.94 116.55 118.67 2np1 n ASP 113 Ca -0.17 -0.07 0.19 0.00 -0.50 0.00 0.00 54.79 54.24 2np1 n ASP 113 Cb 0.57 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.43 2np1 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2np1 h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.32 116.42 113.28 2np1 h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2np1 h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2np1 h ASP 114 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 2np1 n SER 115 N -3.02 0.00 -3.93 6.45 3.41 -1.26 -4.92 113.62 110.36 2np1 n SER 115 Ca -0.01 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 2np1 n SER 115 Cb 0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 2np1 n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2np1 s SER 116 N 0.00 0.21 0.05 4.04 1.04 -1.25 -1.87 113.70 115.93 2np1 s SER 116 Ca 0.00 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.52 2np1 s SER 116 Cb 0.00 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2np1 s SER 116 CO 0.00 -0.61 0.59 0.00 0.98 0.00 0.00 173.24 174.20 2np1 s ALA 117 N -3.33 -1.53 -0.08 5.32 0.00 -0.67 -0.88 121.76 120.60 2np1 s ALA 117 Ca 0.01 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2np1 s ALA 117 Cb 0.03 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.59 2np1 s ALA 117 CO -0.08 -0.55 -0.09 -1.17 0.00 0.00 0.00 175.76 173.87 2np1 s LEU 118 N -1.99 1.40 0.28 0.00 2.96 -0.08 -1.12 118.68 120.14 2np1 s LEU 118 Ca -0.05 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2np1 s LEU 118 Cb -0.01 -0.75 -0.06 0.00 0.50 0.00 0.00 46.19 45.87 2np1 s LEU 118 CO -0.02 -0.04 0.01 0.27 -1.32 0.00 0.00 176.35 175.25 2np1 s ILE 119 N 1.10 1.21 -0.03 6.68 -4.36 -0.79 -0.88 121.20 124.13 2np1 s ILE 119 Ca -0.07 -2.04 0.05 0.00 -0.26 0.00 0.00 60.65 58.33 2np1 s ILE 119 Cb -0.14 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 41.01 2np1 s ILE 119 CO -0.01 -0.18 -0.17 -2.28 0.24 0.00 0.00 174.94 172.54 2np1 s HIS 120 N -3.30 1.62 0.02 1.37 5.65 -0.55 -1.81 115.29 118.30 2np1 s HIS 120 Ca 0.32 -0.41 0.04 0.00 0.25 0.00 0.00 55.06 55.26 2np1 s HIS 120 Cb 0.06 -1.08 -0.02 0.00 -1.18 0.00 0.00 32.58 30.37 2np1 s HIS 120 CO 0.12 -0.12 -0.12 0.99 -0.65 0.00 0.00 174.74 174.97 2np1 s THR 121 N -0.10 0.94 -0.13 0.89 2.01 0.72 -1.82 115.64 118.14 2np1 s THR 121 Ca -0.00 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 2np1 s THR 121 Cb -0.10 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.60 2np1 s THR 121 CO 0.01 0.05 -0.07 0.00 -0.69 0.00 0.00 174.62 173.92 2np1 s LEU 123 N 1.68 4.26 -0.24 0.00 2.96 -1.25 -1.37 118.68 124.71 2np1 s LEU 123 Ca 0.03 0.74 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 2np1 s LEU 123 Cb -0.14 -2.63 0.06 0.00 0.50 0.00 0.00 46.19 43.99 2np1 s LEU 123 CO -0.08 0.01 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.58 2np1 s HIS 124 N 0.66 2.90 -0.17 5.38 2.46 0.13 -0.94 115.29 125.71 2np1 s HIS 124 Ca 0.24 -2.06 -0.00 0.00 0.47 0.00 0.00 55.06 53.71 2np1 s HIS 124 Cb -0.15 -1.79 0.04 0.00 -0.13 0.00 0.00 32.58 30.55 2np1 s HIS 124 CO 0.09 -0.83 -0.07 0.21 -2.47 0.00 0.00 174.74 171.67 2np1 s LYS 125 N 1.23 1.62 0.00 2.88 2.20 -0.77 0.17 119.74 127.06 2np1 s LYS 125 Ca -0.07 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2np1 s LYS 125 Cb -0.19 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2np1 s LYS 125 CO -0.06 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2np1 n GLY 126 N 4.83 0.43 2.01 5.54 0.00 -0.88 -3.58 105.19 113.54 2np1 n GLY 126 Ca -0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 44.95 2np1 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2np1 n ASN 127 N 1.90 -3.03 -4.25 1.61 3.02 -0.93 -5.00 115.26 108.58 2np1 n ASN 127 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 2np1 n ASN 127 Cb 0.24 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 2np1 n ASN 127 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2np1 s LYS 128 N -1.36 1.04 -0.49 3.52 0.00 -1.23 -5.11 119.74 116.11 2np1 s LYS 128 Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 55.97 54.58 2np1 s LYS 128 Cb 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 37.83 36.70 2np1 s LYS 128 CO 0.00 0.26 0.89 -0.51 0.00 0.00 0.00 175.35 175.98 2np1 s ASP 129 N -2.03 6.41 0.00 0.03 1.01 -1.26 -1.85 116.67 118.98 2np1 s ASP 129 Ca 0.06 -0.13 0.18 0.00 0.71 0.00 0.00 52.55 53.37 2np1 s ASP 129 Cb -0.09 -2.42 1.09 0.00 1.01 0.00 0.00 42.92 42.51 2np1 s ASP 129 CO 0.04 -1.07 1.63 0.18 0.21 0.00 0.00 175.17 176.16 2np1 n LEU 130 N 7.13 0.00 0.00 1.23 4.32 -0.11 -4.14 117.00 125.43 2np1 n LEU 130 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2np1 n LEU 130 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2np1 n LEU 130 CO 0.62 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 2np1 n GLY 131 N 0.66 2.41 3.76 -0.72 0.00 -1.26 -4.81 105.19 105.23 2np1 n GLY 131 Ca 0.14 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2np1 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2np1 s ASP 132 N 0.00 6.97 -0.15 1.61 1.01 -1.26 -3.88 116.67 120.97 2np1 s ASP 132 Ca 0.00 2.51 -0.07 0.00 0.71 0.00 0.00 52.55 55.70 2np1 s ASP 132 Cb 0.00 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.36 2np1 s ASP 132 CO 0.00 -0.39 0.34 -0.22 0.21 0.00 0.00 175.17 175.11 2np1 s LEU 133 N -1.51 -0.14 -0.10 1.23 2.96 -0.71 -1.78 118.68 118.63 2np1 s LEU 133 Ca 0.48 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2np1 s LEU 133 Cb -0.37 1.06 -0.03 0.00 0.50 0.00 0.00 46.19 47.36 2np1 s LEU 133 CO 0.47 -0.21 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.93 2np1 s TYR 134 N 1.85 2.98 -0.03 5.38 2.02 0.41 -0.20 117.35 129.77 2np1 s TYR 134 Ca -0.05 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2np1 s TYR 134 Cb -0.10 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2np1 s TYR 134 CO -0.11 0.22 -0.12 0.00 -1.57 0.00 0.00 175.55 173.98 2np1 s ALA 135 N -0.45 1.05 -0.24 3.71 0.00 -0.75 -0.65 121.76 124.43 2np1 s ALA 135 Ca 0.07 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 2np1 s ALA 135 Cb -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2np1 s ALA 135 CO 0.02 0.19 0.24 0.08 0.00 0.00 0.00 175.76 176.29 2np1 s VAL 136 N 0.06 5.30 0.13 0.00 1.01 -0.16 -1.89 120.40 124.86 2np1 s VAL 136 Ca -0.02 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2np1 s VAL 136 Cb -0.08 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2np1 s VAL 136 CO 0.01 0.30 -0.07 -0.76 0.00 0.00 0.00 175.10 174.57 2np1 s LEU 137 N 1.29 3.12 0.02 3.92 1.43 -0.28 -0.29 118.68 127.88 2np1 s LEU 137 Ca 0.11 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2np1 s LEU 137 Cb -0.14 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2np1 s LEU 137 CO 0.06 0.15 0.16 0.21 0.23 0.00 0.00 176.35 177.16 2np1 s ASN 138 N -2.46 0.04 0.19 2.29 3.84 -0.84 -1.67 114.94 116.34 2np1 s ASN 138 Ca 0.23 -0.29 0.23 0.00 0.21 0.00 0.00 52.86 53.25 2np1 s ASN 138 Cb -0.10 0.24 0.91 0.00 -0.55 0.00 0.00 41.25 41.74 2np1 s ASN 138 CO 0.15 -0.45 1.71 0.54 -2.79 0.00 0.00 177.10 176.26 2np1 n ARG 139 N 1.11 0.17 -3.96 0.43 5.12 -0.78 -1.10 116.66 117.65 2np1 n ARG 139 Ca -0.21 0.32 -0.29 0.00 -1.93 0.00 0.00 57.85 55.74 2np1 n ARG 139 Cb 0.57 -1.78 -0.17 0.00 -1.16 0.00 0.00 32.46 29.92 2np1 n ARG 139 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2np1 s ASN 140 N -4.06 2.67 0.00 0.55 3.84 -1.26 -4.85 114.94 111.83 2np1 s ASN 140 Ca 0.07 -0.52 0.06 0.00 0.21 0.00 0.00 52.86 52.68 2np1 s ASN 140 Cb 0.11 -1.05 0.29 0.00 -0.55 0.00 0.00 41.25 40.04 2np1 s ASN 140 CO 0.43 -0.11 1.16 2.29 -2.79 0.00 0.00 177.10 178.09 2np1 n LYS 141 N 4.82 0.03 -0.20 0.43 2.85 -1.26 -2.34 118.16 122.49 2np1 n LYS 141 Ca -0.15 0.34 0.06 0.00 -1.05 0.00 0.00 58.31 57.51 2np1 n LYS 141 Cb 0.49 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.54 2np1 n LYS 141 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2np1 n ASP 142 N -1.43 3.05 -4.73 -5.58 8.00 -1.26 -4.93 116.55 109.67 2np1 n ASP 142 Ca 0.02 -2.02 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 2np1 n ASP 142 Cb 0.07 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 2np1 n ASP 142 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2np1 s THR 143 N -1.04 5.22 0.48 -3.53 2.01 -0.99 -5.07 115.64 112.73 2np1 s THR 143 Ca 0.26 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 2np1 s THR 143 Cb 0.14 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 2np1 s THR 143 CO 0.17 0.36 1.04 0.20 -0.69 0.00 0.00 174.62 175.70 2np1 s ASN 144 N 0.52 6.38 0.22 3.53 0.01 -1.26 -4.97 114.94 119.36 2np1 s ASN 144 Ca 0.23 1.94 -0.32 0.00 -0.71 0.00 0.00 52.86 53.99 2np1 s ASN 144 Cb -0.14 -2.56 -0.13 0.00 0.41 0.00 0.00 41.25 38.82 2np1 s ASN 144 CO 0.08 -0.76 1.52 0.00 -1.51 0.00 0.00 177.10 176.44 2np1 n ALA 145 N -0.89 1.58 -1.97 0.60 0.00 -1.26 -4.97 120.51 113.60 2np1 n ALA 145 Ca 0.09 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.69 2np1 n ALA 145 Cb 0.52 -2.35 0.13 0.00 0.00 0.00 0.00 19.45 17.76 2np1 n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2np1 s GLY 146 N 0.60 1.77 0.36 0.00 0.00 -1.26 -4.94 107.32 103.85 2np1 s GLY 146 Ca 0.72 -1.52 0.10 0.00 0.00 0.00 0.00 44.72 44.01 2np1 s GLY 146 CO 0.44 -0.89 1.83 -0.55 0.00 0.00 0.00 173.10 173.93 2np1 h ASP 147 N -0.92 0.17 -0.41 1.64 3.32 -1.98 -2.62 116.42 115.61 2np1 h ASP 147 Ca -0.39 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 2np1 h ASP 147 Cb 1.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2np1 h ASP 147 CO 0.40 0.45 -0.14 0.11 -1.72 0.00 0.00 179.24 178.34 2np1 h LYS 148 N 0.16 0.82 -0.00 3.56 1.57 -1.99 -1.04 116.57 119.65 2np1 h LYS 148 Ca 0.02 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.32 2np1 h LYS 148 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2np1 h LYS 148 CO 0.04 0.96 -0.72 -0.39 -0.57 0.00 0.00 179.45 178.77 2np1 h VAL 149 N 0.64 1.51 -0.06 0.50 -1.51 -1.94 -2.48 116.25 112.91 2np1 h VAL 149 Ca 0.10 -2.46 -0.11 0.00 -1.23 0.00 0.00 66.70 63.00 2np1 h VAL 149 Cb 0.68 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 2np1 h VAL 149 CO 0.05 0.70 -0.47 0.11 -1.23 0.00 0.00 177.57 176.73 2np1 h LYS 150 N 0.01 0.14 -0.37 5.19 1.57 -1.42 -0.50 116.57 121.19 2np1 h LYS 150 Ca -0.01 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2np1 h LYS 150 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2np1 h LYS 150 CO 0.10 0.58 -0.18 0.78 -0.57 0.00 0.00 179.45 180.16 2np1 h GLY 151 N 1.36 0.84 1.31 3.86 0.00 -0.99 -1.94 103.07 107.51 2np1 h GLY 151 Ca 0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 2np1 h GLY 151 CO 0.07 0.68 0.20 0.00 0.00 0.00 0.00 176.54 177.49 2np1 h ALA 152 N 0.80 1.25 -0.39 3.60 0.00 -1.12 -0.39 119.26 123.01 2np1 h ALA 152 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2np1 h ALA 152 Cb 0.72 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2np1 h ALA 152 CO 0.05 0.54 0.14 0.28 0.00 0.00 0.00 179.25 180.26 2np1 h VAL 153 N 0.85 1.21 -0.65 0.00 2.07 -0.89 -2.80 116.25 116.04 2np1 h VAL 153 Ca 0.20 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2np1 h VAL 153 Cb 0.22 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2np1 h VAL 153 CO -0.01 0.23 0.40 0.74 0.02 0.00 0.00 177.57 178.95 2np1 h THR 154 N 0.49 1.19 0.00 2.57 2.02 -0.80 -1.93 112.91 116.44 2np1 h THR 154 Ca 0.13 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2np1 h THR 154 Cb 0.22 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2np1 h THR 154 CO -0.01 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.08 2np1 n ALA 155 N -2.30 1.37 -0.37 6.16 0.00 -0.20 -0.94 120.51 124.22 2np1 n ALA 155 Ca 0.05 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.72 2np1 n ALA 155 Cb 0.05 -1.31 0.32 0.00 0.00 0.00 0.00 19.45 18.51 2np1 n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2np1 n ALA 156 N -1.73 2.38 -2.24 0.00 0.00 -0.77 -4.90 120.51 113.25 2np1 n ALA 156 Ca 0.01 -1.31 -0.15 0.00 0.00 0.00 0.00 53.44 51.99 2np1 n ALA 156 Cb 0.13 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 2np1 n ALA 156 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2np1 n SER 157 N 1.63 -4.57 -4.94 0.00 7.64 -0.12 -4.99 113.62 108.27 2np1 n SER 157 Ca 0.24 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.94 2np1 n SER 157 Cb 0.62 -3.69 -0.01 0.00 -1.01 0.00 0.00 64.21 60.12 2np1 n SER 157 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2np1 s LEU 158 N -4.28 3.64 -0.21 -3.43 1.43 -0.94 -5.04 118.68 109.85 2np1 s LEU 158 Ca 0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2np1 s LEU 158 Cb 0.00 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 2np1 s LEU 158 CO 0.00 -0.59 -0.07 -0.75 0.23 0.00 0.00 176.35 175.16 2np1 s LYS 159 N -4.19 3.31 0.45 1.70 2.20 -1.26 -4.22 119.74 117.73 2np1 s LYS 159 Ca 0.49 -0.66 0.18 0.00 -0.36 0.00 0.00 55.97 55.61 2np1 s LYS 159 Cb -0.07 -2.92 1.08 0.00 -1.51 0.00 0.00 37.83 34.41 2np1 s LYS 159 CO 0.30 -0.19 1.98 0.35 -0.36 0.00 0.00 175.35 177.43 2np1 h PHE 160 N 8.03 0.00 0.00 4.03 3.57 -1.93 -1.33 116.94 129.31 2np1 h PHE 160 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2np1 h PHE 160 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2np1 h PHE 160 CO 0.56 0.20 0.00 -1.13 -2.23 0.00 0.00 178.31 175.72 2np1 n SER 161 N -4.05 0.26 0.12 0.41 3.41 -1.26 -1.53 113.62 110.98 2np1 n SER 161 Ca -0.02 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2np1 n SER 161 Cb 0.28 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 63.80 2np1 n SER 161 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2np1 h ASP 162 N 0.00 0.00 -3.87 4.04 3.32 -1.66 -3.46 116.42 114.79 2np1 h ASP 162 Ca 0.00 -0.06 -0.49 0.00 0.02 0.00 0.00 57.03 56.50 2np1 h ASP 162 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2np1 h ASP 162 CO 0.00 0.03 0.42 -0.36 -1.72 0.00 0.00 179.24 177.61 2np1 s PHE 163 N -3.20 3.54 -0.14 4.55 0.40 -0.58 -4.80 117.98 117.74 2np1 s PHE 163 Ca 0.06 1.72 -0.07 0.00 -0.60 0.00 0.00 56.93 58.04 2np1 s PHE 163 Cb 0.10 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.45 2np1 s PHE 163 CO 0.69 -0.34 0.11 0.42 0.70 0.00 0.00 175.22 176.81 2np1 s ILE 164 N -1.40 5.28 0.23 0.64 1.01 0.34 -4.84 121.20 122.47 2np1 s ILE 164 Ca 0.50 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 2np1 s ILE 164 Cb -0.26 -3.32 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 2np1 s ILE 164 CO 0.33 0.57 0.66 -0.55 0.00 0.00 0.00 174.94 175.95 2np1 s SER 165 N -0.62 6.86 0.00 3.58 0.15 -1.26 -0.77 113.70 121.64 2np1 s SER 165 Ca 0.12 1.22 0.18 0.00 0.70 0.00 0.00 55.95 58.17 2np1 s SER 165 Cb -0.12 -2.35 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 2np1 s SER 165 CO 0.02 -0.03 0.99 0.35 1.20 0.00 0.00 173.24 175.77 2np1 n THR 166 N 0.30 0.00 0.11 6.45 -2.24 0.46 -4.52 114.28 114.84 2np1 n THR 166 Ca -0.01 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 2np1 n THR 166 Cb 0.52 1.30 0.61 0.00 -2.10 0.00 0.00 70.33 70.66 2np1 n THR 166 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2np1 h LYS 167 N 2.82 0.13 -0.66 -0.78 1.63 -1.91 -2.14 116.57 115.66 2np1 h LYS 167 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2np1 h LYS 167 Cb 0.68 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2np1 h LYS 167 CO 0.00 0.08 0.00 -3.47 -3.45 0.00 0.00 179.45 172.61 2np1 n ASP 168 N -4.48 4.68 -0.31 4.20 2.03 -1.26 -4.47 116.55 116.95 2np1 n ASP 168 Ca 0.03 -2.43 0.14 0.00 0.52 0.00 0.00 54.79 53.05 2np1 n ASP 168 Cb 0.27 -0.58 0.47 0.00 -0.72 0.00 0.00 41.12 40.56 2np1 n ASP 168 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2np1 n ASN 169 N 1.13 1.10 -2.99 1.67 3.02 -0.80 -4.96 115.26 113.42 2np1 n ASN 169 Ca 0.25 -1.07 -0.17 0.00 -0.03 0.00 0.00 54.58 53.56 2np1 n ASN 169 Cb 0.88 0.06 0.07 0.00 -0.61 0.00 0.00 39.78 40.17 2np1 n ASN 169 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2np1 n LYS 170 N -0.40 -6.00 -2.40 3.52 5.02 -1.26 -4.78 118.16 111.86 2np1 n LYS 170 Ca 0.15 0.68 -0.39 0.00 -2.02 0.00 0.00 58.31 56.73 2np1 n LYS 170 Cb 0.34 -5.24 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 2np1 n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2np1 s GLU 172 N -1.86 2.67 0.09 0.00 0.41 -1.26 -5.13 118.70 113.62 2np1 s GLU 172 Ca 0.50 -0.75 0.10 0.00 -0.41 0.00 0.00 54.97 54.40 2np1 s GLU 172 Cb -0.31 -2.05 -0.03 0.00 -1.78 0.00 0.00 34.13 29.95 2np1 s GLU 172 CO 0.40 0.14 -0.25 0.71 -0.49 0.00 0.00 175.26 175.77 2np1 s TYR 173 N 0.42 2.19 -0.64 1.61 1.51 -1.26 -4.94 117.35 116.23 2np1 s TYR 173 Ca -0.17 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 2np1 s TYR 173 Cb -0.17 -1.23 0.16 0.00 -0.11 0.00 0.00 41.96 40.60 2np1 s TYR 173 CO 0.07 0.23 0.43 0.34 -1.11 0.00 0.00 175.55 175.52 2np1 s ASP 174 N -1.71 4.85 0.17 2.29 2.15 -1.26 -4.95 116.67 118.21 2np1 s ASP 174 Ca 0.12 -3.34 -0.01 0.00 0.43 0.00 0.00 52.55 49.75 2np1 s ASP 174 Cb -0.10 -1.71 0.05 0.00 -0.30 0.00 0.00 42.92 40.86 2np1 s ASP 174 CO 0.04 -0.20 1.42 0.78 -0.17 0.00 0.00 175.17 177.04 2np1 h ASN 175 N 6.18 0.44 -0.19 -0.34 -0.26 -1.99 -2.86 115.58 116.57 2np1 h ASN 175 Ca 0.03 -0.30 -0.01 0.00 -0.56 0.00 0.00 56.30 55.46 2np1 h ASN 175 Cb 0.85 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 2np1 h ASN 175 CO 0.72 1.05 0.09 0.58 -1.06 0.00 0.00 177.43 178.81 2np1 h VAL 176 N 0.24 1.14 -0.68 2.81 2.07 -1.99 -0.83 116.25 119.01 2np1 h VAL 176 Ca -0.04 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2np1 h VAL 176 Cb 1.34 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2np1 h VAL 176 CO 0.13 0.14 0.24 0.28 0.02 0.00 0.00 177.57 178.37 2np1 h SER 177 N 0.18 0.96 -0.40 0.57 0.02 -1.90 -1.07 113.55 111.90 2np1 h SER 177 Ca 0.07 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2np1 h SER 177 Cb 0.13 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2np1 h SER 177 CO -0.01 0.90 0.25 0.25 -1.14 0.00 0.00 176.83 177.08 2np1 h LEU 178 N 0.98 0.42 -0.52 5.07 5.85 -1.32 0.80 115.31 126.60 2np1 h LEU 178 Ca 0.22 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 2np1 h LEU 178 Cb 0.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2np1 h LEU 178 CO -0.01 0.30 -0.47 0.11 -0.34 0.00 0.00 178.44 178.03 2np1 h LYS 179 N 0.51 0.68 0.00 1.25 1.57 -1.04 -3.10 116.57 116.44 2np1 h LYS 179 Ca 0.15 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 2np1 h LYS 179 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2np1 h LYS 179 CO -0.06 1.00 -0.36 0.66 -0.57 0.00 0.00 179.45 180.12 2np1 h SER 180 N 0.54 0.00 0.68 0.86 4.64 -0.65 -2.79 113.55 116.83 2np1 h SER 180 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2np1 h SER 180 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2np1 h SER 180 CO 0.10 0.36 0.00 0.18 -0.87 0.00 0.00 176.83 176.59 2np1 n LEU 181 N -3.40 0.55 0.23 5.97 4.77 0.23 -3.02 117.00 122.33 2np1 n LEU 181 Ca 0.01 0.64 0.16 0.00 -0.03 0.00 0.00 56.01 56.78 2np1 n LEU 181 Cb 0.55 -0.57 0.71 0.00 -2.33 0.00 0.00 43.42 41.78 2np1 n LEU 181 CO 0.37 -0.51 0.96 0.25 -1.33 0.00 0.00 177.39 177.13 2np1 h LEU 182 N 0.00 0.00 -2.84 2.23 5.85 -1.52 -2.81 115.31 116.22 2np1 h LEU 182 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2np1 h LEU 182 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2np1 h LEU 182 CO 0.00 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.45 2np1 n THR 183 N -2.70 1.07 -0.09 1.05 -2.24 -1.17 -4.67 114.28 105.52 2np1 n THR 183 Ca 0.00 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2np1 n THR 183 Cb 0.20 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 2np1 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79