#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 -2.60 3.89 -0.03 0.00 2.01 -1.26 -4.95 115.64 112.69 2np1 s THR 3 Ca 0.60 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.93 2np1 s THR 3 Cb -0.07 -2.73 0.07 0.00 0.01 0.00 0.00 72.50 69.79 2np1 s THR 3 CO 0.38 0.37 0.93 0.29 -0.69 0.00 0.00 174.62 175.90 2np1 n LYS 4 N 1.41 1.62 -1.44 4.92 5.02 -1.26 -4.71 118.16 123.72 2np1 n LYS 4 Ca -0.15 -1.50 -0.27 0.00 -2.02 0.00 0.00 58.31 54.38 2np1 n LYS 4 Cb 0.53 -0.96 0.09 0.00 -0.02 0.00 0.00 35.03 34.67 2np1 n LYS 4 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2np1 n ASN 5 N -0.57 5.88 -4.69 4.39 3.02 -1.26 -4.96 115.26 117.07 2np1 n ASN 5 Ca 0.04 -3.76 -0.39 0.00 -0.03 0.00 0.00 54.58 50.44 2np1 n ASN 5 Cb 0.45 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 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 -3.64 3.51 -0.28 5.41 0.00 -1.26 -5.04 121.76 120.46 2np1 s ALA 6 Ca 0.58 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 2np1 s ALA 6 Cb 0.47 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2np1 s ALA 6 CO 0.02 -0.23 0.40 -0.51 0.00 0.00 0.00 175.76 175.44 2np1 s LEU 7 N 1.15 4.08 0.39 0.00 2.01 -1.26 -5.01 118.68 120.04 2np1 s LEU 7 Ca 0.25 0.28 -0.28 0.00 0.01 0.00 0.00 54.13 54.39 2np1 s LEU 7 Cb -0.15 -2.46 -0.11 0.00 0.01 0.00 0.00 46.19 43.48 2np1 s LEU 7 CO 0.10 -0.22 1.49 0.00 1.01 0.00 0.00 176.35 178.73 2np1 s ALA 8 N 2.12 3.53 0.37 4.21 0.00 -1.26 -4.47 121.76 126.25 2np1 s ALA 8 Ca 0.16 1.58 -0.26 0.00 0.00 0.00 0.00 51.96 53.44 2np1 s ALA 8 Cb -0.16 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.26 2np1 s ALA 8 CO 0.10 -1.11 1.15 1.14 0.00 0.00 0.00 175.76 177.04 2np1 s GLN 9 N -2.17 4.23 -0.03 0.00 -2.07 -0.56 -4.94 119.66 114.12 2np1 s GLN 9 Ca 0.54 1.82 -0.30 0.00 -1.82 0.00 0.00 55.36 55.60 2np1 s GLN 9 Cb -0.47 -2.81 -0.04 0.00 -1.09 0.00 0.00 33.01 28.61 2np1 s GLN 9 CO 0.63 -0.16 1.23 -0.08 -1.32 0.00 0.00 175.29 175.59 2np1 s THR 10 N -1.37 4.14 -0.16 3.63 -1.32 -1.26 -2.94 115.64 116.37 2np1 s THR 10 Ca 0.53 1.49 -0.00 0.00 -1.21 0.00 0.00 61.69 62.50 2np1 s THR 10 Cb -0.30 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 66.73 2np1 s THR 10 CO 0.39 0.01 0.06 0.61 -2.21 0.00 0.00 174.62 173.48 2np1 n GLY 11 N 3.39 0.53 3.70 6.08 0.00 -1.26 -4.99 105.19 112.64 2np1 n GLY 11 Ca 0.11 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.54 2.75 -0.64 1.61 5.36 -1.15 -4.96 117.98 118.41 2np1 s PHE 12 Ca 0.03 0.51 -0.20 0.00 -0.96 0.00 0.00 56.93 56.31 2np1 s PHE 12 Cb -0.01 -3.92 0.10 0.00 -0.34 0.00 0.00 43.02 38.85 2np1 s PHE 12 CO 0.03 -3.52 0.79 1.21 -1.46 0.00 0.00 175.22 172.27 2np1 s ASN 13 N 1.81 6.23 0.21 6.13 3.84 -1.26 -4.94 114.94 126.96 2np1 s ASN 13 Ca 0.71 -1.41 -0.08 0.00 0.21 0.00 0.00 52.86 52.28 2np1 s ASN 13 Cb -0.41 -2.33 0.28 0.00 -0.55 0.00 0.00 41.25 38.25 2np1 s ASN 13 CO 0.31 -1.17 1.78 0.50 -2.79 0.00 0.00 177.10 175.73 2np1 h LYS 14 N 9.21 0.56 -0.62 0.43 3.64 -2.00 -2.76 116.57 125.04 2np1 h LYS 14 Ca -0.25 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2np1 h LYS 14 Cb 1.08 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 2np1 h LYS 14 CO 1.11 0.37 0.41 -0.44 -2.27 0.00 0.00 179.45 178.63 2np1 h ASP 15 N 0.58 0.59 0.29 4.20 5.19 -1.92 -0.26 116.42 125.09 2np1 h ASP 15 Ca 0.32 -0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.39 2np1 h ASP 15 Cb 0.31 -0.13 0.02 0.00 0.18 0.00 0.00 39.33 39.71 2np1 h ASP 15 CO -0.24 0.40 -1.55 0.11 -3.12 0.00 0.00 179.24 174.84 2np1 h LYS 16 N 0.68 0.46 0.28 3.56 1.57 -1.95 -3.32 116.57 117.84 2np1 h LYS 16 Ca 0.26 -0.78 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2np1 h LYS 16 Cb 0.16 0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2np1 h LYS 16 CO -0.07 1.37 -0.13 -0.92 -0.57 0.00 0.00 179.45 179.12 2np1 h TYR 17 N 0.12 -0.34 -0.78 -1.35 3.20 -1.23 -3.22 116.97 113.37 2np1 h TYR 17 Ca -0.27 -0.01 -0.43 0.00 3.14 0.00 0.00 58.73 61.16 2np1 h TYR 17 Cb 2.13 0.11 -0.15 0.00 1.54 0.00 0.00 36.73 40.36 2np1 h TYR 17 CO 0.11 -0.03 0.26 1.19 -1.64 0.00 0.00 178.16 178.05 2np1 n PHE 18 N -5.13 1.20 1.57 -3.82 3.72 -0.13 -4.53 117.46 110.35 2np1 n PHE 18 Ca -0.09 -1.85 0.14 0.00 -0.05 0.00 0.00 57.45 55.60 2np1 n PHE 18 Cb 0.25 -1.46 0.61 0.00 -0.94 0.00 0.00 39.48 37.94 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 1.34 1.06 0.00 4.37 6.94 -1.20 -4.36 115.26 123.41 2np1 n ASN 19 Ca 0.48 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.77 2np1 n ASN 19 Cb 0.64 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 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 1.16 0.75 4.01 4.83 0.00 0.55 -4.95 105.19 111.54 2np1 n GLY 20 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2np1 n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2np1 s ASP 21 N -2.47 5.48 0.09 1.61 1.11 -1.26 -4.79 116.67 116.45 2np1 s ASP 21 Ca 0.00 -0.50 -0.19 0.00 0.18 0.00 0.00 52.55 52.04 2np1 s ASP 21 Cb 0.00 -0.43 -0.07 0.00 1.07 0.00 0.00 42.92 43.50 2np1 s ASP 21 CO 0.00 -0.94 0.58 -0.69 1.18 0.00 0.00 175.17 175.29 2np1 s VAL 22 N -2.46 4.74 -0.08 -1.27 1.01 -1.26 -3.51 120.40 117.57 2np1 s VAL 22 Ca 0.57 1.17 0.05 0.00 0.00 0.00 0.00 61.98 63.76 2np1 s VAL 22 Cb -0.09 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2np1 s VAL 22 CO 0.35 0.49 -0.24 0.26 0.00 0.00 0.00 175.10 175.96 2np1 s TRP 23 N -1.19 2.52 -0.07 5.22 0.52 0.92 -4.60 118.94 122.27 2np1 s TRP 23 Ca 0.31 -0.88 -0.03 0.00 0.02 0.00 0.00 56.10 55.52 2np1 s TRP 23 Cb -0.19 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2np1 s TRP 23 CO 0.19 -0.31 0.09 0.71 0.02 0.00 0.00 176.95 177.65 2np1 s TYR 24 N 0.10 3.39 -0.35 -1.98 2.02 -0.20 -1.44 117.35 118.90 2np1 s TYR 24 Ca -0.11 0.33 -0.22 0.00 -0.37 0.00 0.00 57.07 56.70 2np1 s TYR 24 Cb -0.16 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2np1 s TYR 24 CO 0.06 0.61 0.71 0.08 -1.57 0.00 0.00 175.55 175.44 2np1 s VAL 25 N -1.07 4.82 -0.13 0.71 1.01 -1.02 -0.83 120.40 123.89 2np1 s VAL 25 Ca 0.18 0.79 0.19 0.00 0.00 0.00 0.00 61.98 63.14 2np1 s VAL 25 Cb -0.12 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 2np1 s VAL 25 CO 0.08 -0.34 0.42 0.35 0.00 0.00 0.00 175.10 175.61 2np1 n THR 26 N 5.64 0.92 -3.74 3.92 -2.24 -0.15 -4.71 114.28 113.93 2np1 n THR 26 Ca 0.01 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 2np1 n THR 26 Cb 0.48 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 -5.29 -0.27 0.14 3.42 1.11 -1.22 -1.22 116.67 113.34 2np1 s ASP 27 Ca -0.07 0.28 -0.12 0.00 0.18 0.00 0.00 52.55 52.82 2np1 s ASP 27 Cb 0.09 0.43 0.01 0.00 1.07 0.00 0.00 42.92 44.52 2np1 s ASP 27 CO 0.85 -0.39 0.32 -0.72 1.18 0.00 0.00 175.17 176.41 2np1 s TYR 28 N -0.99 0.11 -0.15 4.23 1.13 -0.11 -0.48 117.35 121.09 2np1 s TYR 28 Ca -0.10 -0.48 -0.03 0.00 -1.41 0.00 0.00 57.07 55.04 2np1 s TYR 28 Cb -0.04 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.96 2np1 s TYR 28 CO 0.04 -0.70 0.05 -1.17 -2.51 0.00 0.00 175.55 171.26 2np1 s LEU 29 N -2.89 0.68 -0.26 -3.49 2.96 0.41 -0.08 118.68 116.01 2np1 s LEU 29 Ca 0.09 -0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 2np1 s LEU 29 Cb 0.03 -0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 2np1 s LEU 29 CO -0.06 -0.30 0.23 -0.62 -1.32 0.00 0.00 176.35 174.28 2np1 s ASP 30 N 2.01 6.13 0.13 3.68 -1.08 -1.26 -0.61 116.67 125.66 2np1 s ASP 30 Ca 0.02 0.13 0.08 0.00 -0.52 0.00 0.00 52.55 52.25 2np1 s ASP 30 Cb -0.15 -2.14 -0.19 0.00 -1.46 0.00 0.00 42.92 38.97 2np1 s ASP 30 CO -0.07 -0.04 1.28 -0.07 0.52 0.00 0.00 175.17 176.79 2np1 h LEU 31 N 8.06 0.00 -7.07 -1.34 -0.00 -1.73 -3.39 115.31 109.85 2np1 h LEU 31 Ca -0.35 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 56.91 2np1 h LEU 31 Cb 1.18 0.00 -0.42 0.00 -0.00 0.00 0.00 40.66 41.42 2np1 h LEU 31 CO 0.62 0.97 -0.58 -1.61 -0.00 0.00 0.00 178.44 177.84 2np1 s GLU 32 N -2.72 2.45 0.20 1.13 2.02 -1.26 -4.99 118.70 115.53 2np1 s GLU 32 Ca 0.01 -3.35 -0.26 0.00 0.02 0.00 0.00 54.97 51.39 2np1 s GLU 32 Cb 0.10 -3.40 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 2np1 s GLU 32 CO 0.82 -1.29 0.83 -1.25 0.02 0.00 0.00 175.26 174.38 2np1 s PRO 33 N -1.46 4.61 1.09 0.39 0.04 -1.26 -4.94 135.00 133.47 2np1 s PRO 33 Ca 0.25 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 2np1 s PRO 33 Cb -0.04 -3.19 0.13 0.00 0.04 0.00 0.00 34.50 31.43 2np1 s PRO 33 CO -0.17 0.52 0.28 -0.25 0.04 0.00 0.00 177.00 177.42 2np1 n ASP 34 N 1.40 -2.13 -0.01 6.66 8.00 -1.26 -4.96 116.55 124.26 2np1 n ASP 34 Ca -0.04 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.27 2np1 n ASP 34 Cb 0.49 -1.07 -0.12 0.00 -0.02 0.00 0.00 41.12 40.40 2np1 n ASP 34 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2np1 h ASP 35 N -2.08 0.34 -3.41 -2.24 3.32 -2.06 -3.43 116.42 106.87 2np1 h ASP 35 Ca -0.53 -0.82 -0.55 0.00 0.02 0.00 0.00 57.03 55.16 2np1 h ASP 35 Cb 1.34 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2np1 h ASP 35 CO 0.39 1.12 0.20 0.54 -1.72 0.00 0.00 179.24 179.78 2np1 s VAL 36 N -2.97 4.87 -0.27 -1.35 0.11 -1.26 -5.03 120.40 114.50 2np1 s VAL 36 Ca -0.15 1.71 -0.22 0.00 -2.93 0.00 0.00 61.98 60.39 2np1 s VAL 36 Cb 0.01 -4.16 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 2np1 s VAL 36 CO 0.78 0.27 0.71 -2.16 -3.33 0.00 0.00 175.10 171.36 2np1 s PRO 37 N 0.54 4.08 -0.28 1.54 0.05 -1.26 -5.04 135.00 134.63 2np1 s PRO 37 Ca 0.42 0.63 0.00 0.00 0.05 0.00 0.00 61.00 62.11 2np1 s PRO 37 Cb -0.20 -3.67 0.08 0.00 0.05 0.00 0.00 34.50 30.76 2np1 s PRO 37 CO 0.23 -0.50 0.03 -1.59 0.05 0.00 0.00 177.00 175.22 2np1 s LYS 38 N 2.68 1.15 -0.26 4.56 -2.85 -1.26 -5.11 119.74 118.65 2np1 s LYS 38 Ca 0.29 -1.12 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 2np1 s LYS 38 Cb -0.15 -2.43 -0.00 0.00 -2.06 0.00 0.00 37.83 33.19 2np1 s LYS 38 CO 0.09 -0.81 1.26 1.03 0.10 0.00 0.00 175.35 177.02 2np1 s ARG 39 N 1.44 4.03 0.42 1.78 0.52 -1.26 -5.02 118.95 120.86 2np1 s ARG 39 Ca 0.03 1.35 0.08 0.00 -0.52 0.00 0.00 55.73 56.67 2np1 s ARG 39 Cb -0.18 -3.82 -0.01 0.00 0.52 0.00 0.00 34.95 31.45 2np1 s ARG 39 CO -0.14 -0.96 0.43 0.71 0.02 0.00 0.00 175.30 175.36 2np1 s TYR 40 N 4.01 2.72 0.08 -0.53 1.51 -1.26 -4.39 117.35 119.49 2np1 s TYR 40 Ca 0.54 -0.47 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 2np1 s TYR 40 Cb -0.18 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 2np1 s TYR 40 CO 0.19 -0.21 -0.22 0.00 -1.11 0.00 0.00 175.55 174.20 2np1 s ALA 42 N -0.99 -1.46 0.16 0.00 0.00 -1.26 -1.13 121.76 117.08 2np1 s ALA 42 Ca 0.08 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.81 2np1 s ALA 42 Cb -0.10 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2np1 s ALA 42 CO 0.03 -0.40 0.39 0.00 0.00 0.00 0.00 175.76 175.79 2np1 s ALA 43 N -1.63 -0.61 0.20 0.00 0.00 -0.72 -2.44 121.76 116.56 2np1 s ALA 43 Ca -0.10 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 2np1 s ALA 43 Cb -0.01 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2np1 s ALA 43 CO 0.05 -0.69 0.43 -0.48 0.00 0.00 0.00 175.76 175.07 2np1 s LEU 44 N -2.88 0.44 -0.13 0.00 0.05 -0.52 -1.20 118.68 114.45 2np1 s LEU 44 Ca 0.09 -0.73 -0.04 0.00 0.05 0.00 0.00 54.13 53.50 2np1 s LEU 44 Cb 0.02 1.73 0.06 0.00 -2.05 0.00 0.00 46.19 45.94 2np1 s LEU 44 CO -0.05 -1.02 0.14 0.00 -0.55 0.00 0.00 176.35 174.86 2np1 s ALA 45 N -3.94 0.05 -0.14 1.48 0.00 -0.54 -0.05 121.76 118.62 2np1 s ALA 45 Ca 0.15 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 2np1 s ALA 45 Cb 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2np1 s ALA 45 CO 0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 175.76 174.91 2np1 s ALA 46 N 2.23 3.19 0.00 0.00 0.00 -1.23 -1.67 121.76 124.28 2np1 s ALA 46 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2np1 s ALA 46 Cb -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2np1 s ALA 46 CO -0.08 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2np1 n GLY 47 N 3.09 3.00 3.11 0.00 0.00 -0.01 -0.33 105.19 114.05 2np1 n GLY 47 Ca -0.18 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.81 0.92 -0.17 2.61 -4.23 -1.26 -0.27 115.64 110.43 2np1 s THR 48 Ca 0.00 -0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2np1 s THR 48 Cb 0.00 -0.86 0.05 0.00 1.34 0.00 0.00 72.50 73.02 2np1 s THR 48 CO 0.00 -0.08 0.50 0.00 -0.54 0.00 0.00 174.62 174.49 2np1 s ALA 49 N -0.92 -1.23 -1.11 3.99 0.00 -0.70 -4.89 121.76 116.90 2np1 s ALA 49 Ca -0.01 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2np1 s ALA 49 Cb -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2np1 s ALA 49 CO 0.01 -0.25 0.00 0.43 0.00 0.00 0.00 175.76 175.95 2np1 n SER 50 N 2.59 -3.37 0.00 0.00 7.64 -1.26 -1.11 113.62 118.11 2np1 n SER 50 Ca -0.14 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2np1 n SER 50 Cb 0.57 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 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 -0.49 0.62 3.26 0.23 0.00 -1.26 -5.06 105.19 102.48 2np1 n GLY 51 Ca -0.13 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2np1 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2np1 s LYS 52 N -0.60 1.06 0.20 1.61 -2.85 -0.27 -5.12 119.74 113.78 2np1 s LYS 52 Ca 0.00 -1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 53.48 2np1 s LYS 52 Cb 0.00 -1.12 -0.08 0.00 -2.06 0.00 0.00 37.83 34.57 2np1 s LYS 52 CO 0.00 0.24 1.16 -0.51 0.10 0.00 0.00 175.35 176.34 2np1 s LEU 53 N -2.17 4.48 0.05 2.77 1.43 -1.26 -1.72 118.68 122.25 2np1 s LEU 53 Ca 0.07 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.41 2np1 s LEU 53 Cb -0.08 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2np1 s LEU 53 CO 0.04 -0.29 -0.09 -0.54 0.23 0.00 0.00 176.35 175.69 2np1 s LYS 54 N -0.54 0.59 -0.02 1.70 -0.14 0.63 -1.04 119.74 120.92 2np1 s LYS 54 Ca 0.50 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 2np1 s LYS 54 Cb -0.32 -0.40 0.02 0.00 -1.68 0.00 0.00 37.83 35.45 2np1 s LYS 54 CO 0.37 0.08 0.01 -2.00 -0.76 0.00 0.00 175.35 173.05 2np1 s GLU 55 N -1.65 0.13 0.00 1.68 2.12 -0.68 -0.83 118.70 119.48 2np1 s GLU 55 Ca -0.08 0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.40 2np1 s GLU 55 Cb -0.10 -0.33 -0.03 0.00 0.26 0.00 0.00 34.13 33.94 2np1 s GLU 55 CO 0.01 -0.12 -0.15 0.00 -0.54 0.00 0.00 175.26 174.46 2np1 s ALA 56 N 0.87 2.69 0.09 6.30 0.00 -0.67 -1.35 121.76 129.69 2np1 s ALA 56 Ca -0.08 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.87 2np1 s ALA 56 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2np1 s ALA 56 CO -0.02 0.58 -0.21 -0.51 0.00 0.00 0.00 175.76 175.60 2np1 s LEU 57 N -1.19 2.26 -0.04 0.00 1.43 0.08 -1.46 118.68 119.76 2np1 s LEU 57 Ca 0.14 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2np1 s LEU 57 Cb -0.11 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.22 2np1 s LEU 57 CO 0.04 0.09 -0.01 -0.47 0.23 0.00 0.00 176.35 176.23 2np1 s TYR 58 N -1.05 0.48 -0.05 0.29 5.04 -0.34 -2.51 117.35 119.21 2np1 s TYR 58 Ca 0.07 -0.08 0.03 0.00 -2.44 0.00 0.00 57.07 54.65 2np1 s TYR 58 Cb -0.10 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 41.70 2np1 s TYR 58 CO 0.04 -0.16 -0.13 -1.01 -1.34 0.00 0.00 175.55 172.94 2np1 s HIS 59 N 1.05 1.45 -0.05 4.97 3.76 -0.84 -1.76 115.29 123.87 2np1 s HIS 59 Ca -0.09 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 2np1 s HIS 59 Cb -0.14 -1.02 0.02 0.00 1.11 0.00 0.00 32.58 32.55 2np1 s HIS 59 CO -0.01 -0.20 -0.06 -0.47 -0.85 0.00 0.00 174.74 173.15 2np1 s TYR 60 N 0.33 0.91 -0.38 1.40 5.04 -0.29 -1.83 117.35 122.54 2np1 s TYR 60 Ca -0.08 -0.29 -0.13 0.00 -2.44 0.00 0.00 57.07 54.13 2np1 s TYR 60 Cb -0.13 -0.77 0.01 0.00 0.35 0.00 0.00 41.96 41.43 2np1 s TYR 60 CO 0.02 -0.22 0.25 0.34 -1.34 0.00 0.00 175.55 174.61 2np1 s ASP 61 N 0.91 5.96 0.47 4.32 -1.08 -0.57 -1.16 116.67 125.51 2np1 s ASP 61 Ca -0.11 -0.77 0.18 0.00 -0.52 0.00 0.00 52.55 51.33 2np1 s ASP 61 Cb -0.15 -2.11 1.14 0.00 -1.46 0.00 0.00 42.92 40.34 2np1 s ASP 61 CO 0.01 -0.36 2.01 1.55 0.52 0.00 0.00 175.17 178.90 2np1 h PRO 62 N 8.53 0.00 0.00 4.34 0.13 -1.83 0.17 132.00 143.33 2np1 h PRO 62 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2np1 h PRO 62 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2np1 h PRO 62 CO 0.68 0.17 0.00 0.87 -0.23 0.00 0.00 178.00 179.49 2np1 h LYS 63 N 0.00 0.00 0.00 0.86 6.56 -1.91 -3.34 116.57 118.74 2np1 h LYS 63 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2np1 h LYS 63 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2np1 h LYS 63 CO 0.02 0.00 -0.61 0.25 -2.06 0.00 0.00 179.45 177.05 2np1 n THR 64 N -3.09 0.00 -0.90 -0.16 -2.24 -1.21 -4.99 114.28 101.68 2np1 n THR 64 Ca 0.04 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2np1 n THR 64 Cb 0.52 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2np1 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2np1 n GLN 65 N -1.32 -0.17 -1.99 -0.78 6.02 0.04 -4.98 117.38 114.20 2np1 n GLN 65 Ca -0.00 0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.63 2np1 n GLN 65 Cb 0.03 -3.21 -0.01 0.00 1.02 0.00 0.00 30.24 28.07 2np1 n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2np1 s ASP 66 N -2.49 6.39 0.00 1.08 2.15 -1.24 -4.80 116.67 117.76 2np1 s ASP 66 Ca 0.00 2.77 -0.00 0.00 0.43 0.00 0.00 52.55 55.75 2np1 s ASP 66 Cb 0.00 -2.65 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2np1 s ASP 66 CO 0.00 -0.81 0.01 -0.89 -0.17 0.00 0.00 175.17 173.31 2np1 s THR 67 N -1.19 0.02 0.03 1.71 2.01 -1.26 -1.51 115.64 115.45 2np1 s THR 67 Ca 0.54 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 2np1 s THR 67 Cb -0.41 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 2np1 s THR 67 CO 0.54 -0.09 -0.03 0.72 -0.69 0.00 0.00 174.62 175.07 2np1 s PHE 68 N -0.25 0.33 0.18 4.92 -0.71 -0.76 -5.02 117.98 116.67 2np1 s PHE 68 Ca -0.03 -0.67 0.09 0.00 -1.04 0.00 0.00 56.93 55.28 2np1 s PHE 68 Cb -0.02 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2np1 s PHE 68 CO -0.00 -0.24 -0.18 0.71 -1.34 0.00 0.00 175.22 174.17 2np1 s TYR 69 N -2.12 1.85 -0.04 3.49 1.51 -1.26 -1.99 117.35 118.79 2np1 s TYR 69 Ca -0.10 -0.48 -0.13 0.00 -1.01 0.00 0.00 57.07 55.35 2np1 s TYR 69 Cb -0.05 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 2np1 s TYR 69 CO -0.03 0.37 0.30 -0.51 -1.11 0.00 0.00 175.55 174.57 2np1 s ASP 70 N -2.87 -0.21 -0.00 2.29 1.01 -1.04 -2.37 116.67 113.48 2np1 s ASP 70 Ca 0.18 0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.67 2np1 s ASP 70 Cb -0.05 0.39 -0.01 0.00 1.01 0.00 0.00 42.92 44.26 2np1 s ASP 70 CO 0.07 -0.36 -0.09 -0.69 0.21 0.00 0.00 175.17 174.31 2np1 s VAL 71 N -0.98 0.74 0.01 -1.27 1.01 -0.57 -0.74 120.40 118.60 2np1 s VAL 71 Ca -0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2np1 s VAL 71 Cb -0.05 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 2np1 s VAL 71 CO 0.03 0.17 0.12 -0.44 0.00 0.00 0.00 175.10 174.98 2np1 s SER 72 N -0.33 0.07 -0.12 3.32 0.01 -0.46 -1.16 113.70 115.04 2np1 s SER 72 Ca 0.03 -0.31 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 2np1 s SER 72 Cb -0.04 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 2np1 s SER 72 CO -0.00 -0.41 0.39 -0.70 0.41 0.00 0.00 173.24 172.93 2np1 s GLU 73 N -1.74 4.24 0.06 12.44 2.12 -1.26 -1.68 118.70 132.89 2np1 s GLU 73 Ca -0.12 0.30 -0.03 0.00 0.36 0.00 0.00 54.97 55.47 2np1 s GLU 73 Cb -0.06 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 2np1 s GLU 73 CO -0.00 0.27 0.27 -0.51 -0.54 0.00 0.00 175.26 174.74 2np1 s LEU 74 N 0.32 4.34 -0.15 2.70 1.43 -0.21 -3.75 118.68 123.37 2np1 s LEU 74 Ca 0.22 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2np1 s LEU 74 Cb -0.14 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.15 2np1 s LEU 74 CO 0.08 0.17 -0.09 -1.58 0.23 0.00 0.00 176.35 175.16 2np1 s GLN 75 N -2.30 1.74 -0.22 1.70 0.74 -0.80 -4.48 119.66 116.03 2np1 s GLN 75 Ca 0.34 -0.47 -0.29 0.00 0.05 0.00 0.00 55.36 54.99 2np1 s GLN 75 Cb -0.13 -1.93 -0.01 0.00 1.10 0.00 0.00 33.01 32.04 2np1 s GLN 75 CO 0.23 -0.33 1.29 -2.00 -0.55 0.00 0.00 175.29 173.93 2np1 s GLU 76 N 1.60 4.10 0.16 1.67 2.12 -1.26 -1.37 118.70 125.71 2np1 s GLU 76 Ca 0.03 1.51 0.15 0.00 0.36 0.00 0.00 54.97 57.01 2np1 s GLU 76 Cb -0.14 -3.82 -0.07 0.00 0.26 0.00 0.00 34.13 30.37 2np1 s GLU 76 CO -0.09 -0.88 1.14 0.93 -0.54 0.00 0.00 175.26 175.82 2np1 h GLU 77 N 8.70 0.00 0.00 4.30 4.39 -1.34 -3.48 114.58 127.15 2np1 h GLU 77 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2np1 h GLU 77 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2np1 h GLU 77 CO 0.99 0.48 0.00 0.45 -1.16 0.00 0.00 179.01 179.77 2np1 n SER 78 N -3.10 0.00 -4.45 1.42 2.88 -1.21 -5.03 113.62 104.14 2np1 n SER 78 Ca -0.04 0.00 -0.60 0.00 -1.33 0.00 0.00 58.87 56.90 2np1 n SER 78 Cb 0.82 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.19 2np1 n SER 78 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2np1 n PRO 79 N -0.07 0.00 -0.02 -1.46 -0.02 -1.26 -0.28 135.00 131.89 2np1 n PRO 79 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2np1 n PRO 79 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2np1 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2np1 n GLY 80 N 2.34 1.37 3.04 -1.23 0.00 -1.26 -4.89 105.19 104.54 2np1 n GLY 80 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.54 2.27 0.06 1.61 1.02 0.62 0.77 119.74 125.55 2np1 s LYS 81 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.44 2np1 s LYS 81 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2np1 s LYS 81 CO 0.00 -0.16 -0.05 0.71 -0.92 0.00 0.00 175.35 174.93 2np1 s TYR 82 N 1.26 0.63 -0.12 3.18 1.51 0.12 -0.83 117.35 123.10 2np1 s TYR 82 Ca -0.00 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.27 2np1 s TYR 82 Cb -0.14 -0.40 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 2np1 s TYR 82 CO -0.06 -0.22 -0.23 0.99 -1.11 0.00 0.00 175.55 174.92 2np1 s THR 83 N -2.95 2.07 -0.17 -0.71 2.01 -0.47 -1.24 115.64 114.17 2np1 s THR 83 Ca 0.02 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2np1 s THR 83 Cb 0.01 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2np1 s THR 83 CO -0.05 0.55 -0.18 0.00 -0.69 0.00 0.00 174.62 174.25 2np1 s ALA 84 N 0.57 2.38 -0.60 7.40 0.00 0.23 -1.91 121.76 129.83 2np1 s ALA 84 Ca -0.13 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 2np1 s ALA 84 Cb -0.17 -1.21 0.14 0.00 0.00 0.00 0.00 23.12 21.88 2np1 s ALA 84 CO 0.04 -0.27 0.59 -0.80 0.00 0.00 0.00 175.76 175.32 2np1 s ASN 85 N 1.18 6.28 0.46 0.00 -0.87 -1.25 -0.62 114.94 120.13 2np1 s ASN 85 Ca 0.02 -1.86 -0.10 0.00 -1.57 0.00 0.00 52.86 49.35 2np1 s ASN 85 Cb -0.14 -2.23 -0.06 0.00 -0.02 0.00 0.00 41.25 38.80 2np1 s ASN 85 CO -0.09 -0.87 0.84 0.72 -2.57 0.00 0.00 177.10 175.13 2np1 s PHE 86 N 1.63 3.51 -0.03 2.20 -0.71 -1.25 -4.15 117.98 119.17 2np1 s PHE 86 Ca 0.07 1.09 0.02 0.00 -1.04 0.00 0.00 56.93 57.08 2np1 s PHE 86 Cb -0.25 -2.50 0.01 0.00 -1.21 0.00 0.00 43.02 39.06 2np1 s PHE 86 CO 0.02 -0.25 -0.08 -1.59 -1.34 0.00 0.00 175.22 171.97 2np1 s LYS 87 N -4.23 0.96 0.11 1.99 -2.85 -0.31 -4.29 119.74 111.12 2np1 s LYS 87 Ca 0.52 -0.26 -0.27 0.00 -1.00 0.00 0.00 55.97 54.96 2np1 s LYS 87 Cb -0.10 -0.89 -0.07 0.00 -2.06 0.00 0.00 37.83 34.71 2np1 s LYS 87 CO 0.37 0.06 0.83 0.21 0.10 0.00 0.00 175.35 176.92 2np1 s LYS 88 N 0.38 4.60 0.19 1.78 2.20 -0.68 -1.52 119.74 126.70 2np1 s LYS 88 Ca -0.06 1.22 -0.02 0.00 -0.36 0.00 0.00 55.97 56.75 2np1 s LYS 88 Cb -0.10 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2np1 s LYS 88 CO 0.01 0.36 0.14 0.14 -0.36 0.00 0.00 175.35 175.64 2np1 s VAL 89 N -0.43 0.01 0.75 4.02 -7.23 -1.00 -0.80 120.40 115.71 2np1 s VAL 89 Ca 0.40 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2np1 s VAL 89 Cb -0.22 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.38 2np1 s VAL 89 CO 0.26 -0.05 1.06 -1.61 -0.31 0.00 0.00 175.10 174.45 2np1 s GLU 90 N -4.14 1.90 0.39 4.82 0.41 0.14 -4.04 118.70 118.17 2np1 s GLU 90 Ca 0.36 -0.39 0.27 0.00 -0.41 0.00 0.00 54.97 54.81 2np1 s GLU 90 Cb 0.07 -2.14 1.38 0.00 -1.78 0.00 0.00 34.13 31.65 2np1 s GLU 90 CO 0.11 -1.44 1.82 1.57 -0.49 0.00 0.00 175.26 176.83 2np1 h LYS 91 N -0.75 0.00 -0.43 1.61 2.10 -1.97 0.03 116.57 117.16 2np1 h LYS 91 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2np1 h LYS 91 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2np1 h LYS 91 CO 0.54 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.26 2np1 n ASN 92 N -2.46 3.09 0.00 7.07 0.23 -1.26 -4.84 115.26 117.09 2np1 n ASN 92 Ca -0.01 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 2np1 n ASN 92 Cb 0.10 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 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 1.43 0.94 3.73 4.83 0.00 -0.00 -5.04 105.19 111.08 2np1 n GLY 93 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.95 6.73 -0.07 1.61 0.01 -1.26 -4.62 114.94 114.39 2np1 s ASN 94 Ca 0.00 2.52 -0.30 0.00 -0.71 0.00 0.00 52.86 54.37 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 -0.68 1.11 -0.69 -1.51 0.00 0.00 177.10 175.34 2np1 s VAL 95 N 0.52 4.49 -0.22 1.60 1.01 -1.26 0.23 120.40 126.76 2np1 s VAL 95 Ca 0.62 1.79 -0.09 0.00 0.00 0.00 0.00 61.98 64.30 2np1 s VAL 95 Cb -0.40 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 31.65 2np1 s VAL 95 CO 0.37 0.01 -0.03 0.29 0.00 0.00 0.00 175.10 175.73 2np1 n LYS 96 N 5.08 0.64 -3.81 2.72 5.02 0.02 -4.90 118.16 122.92 2np1 n LYS 96 Ca 0.10 0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 56.44 2np1 n LYS 96 Cb 0.47 -1.60 -0.17 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.50 0.49 0.98 -0.18 1.01 -1.01 -4.99 120.40 114.21 2np1 s VAL 97 Ca -0.32 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2np1 s VAL 97 Cb 0.09 -0.62 0.18 0.00 0.00 0.00 0.00 36.38 36.03 2np1 s VAL 97 CO 0.61 0.28 1.09 -1.81 0.00 0.00 0.00 175.10 175.27 2np1 s ASP 98 N 1.88 2.78 0.17 3.32 1.11 -1.26 -1.68 116.67 122.99 2np1 s ASP 98 Ca 0.04 1.31 -0.32 0.00 0.18 0.00 0.00 52.55 53.77 2np1 s ASP 98 Cb -0.12 -1.98 -0.10 0.00 1.07 0.00 0.00 42.92 41.78 2np1 s ASP 98 CO -0.06 -3.05 1.61 -0.69 1.18 0.00 0.00 175.17 174.17 2np1 s VAL 99 N -2.92 2.51 0.06 -1.27 1.01 -1.26 -4.80 120.40 113.72 2np1 s VAL 99 Ca 0.65 0.34 0.06 0.00 0.00 0.00 0.00 61.98 63.03 2np1 s VAL 99 Cb -0.19 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2np1 s VAL 99 CO 0.58 0.02 -0.16 -0.89 0.00 0.00 0.00 175.10 174.65 2np1 s THR 100 N 1.27 1.27 0.17 3.92 2.01 -1.26 -5.07 115.64 117.95 2np1 s THR 100 Ca 0.72 -1.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 2np1 s THR 100 Cb -0.45 -1.15 0.04 0.00 0.01 0.00 0.00 72.50 70.95 2np1 s THR 100 CO 0.32 -0.03 1.78 -1.28 -0.69 0.00 0.00 174.62 174.71 2np1 h SER 101 N 4.66 0.30 0.00 3.53 0.87 -1.99 -2.18 113.55 118.73 2np1 h SER 101 Ca -0.40 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2np1 h SER 101 Cb 1.18 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2np1 h SER 101 CO 0.42 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.55 2np1 n GLY 102 N -1.23 -0.98 3.28 5.77 0.00 -1.26 -4.71 105.19 106.07 2np1 n GLY 102 Ca 0.02 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.54 5.34 0.18 1.61 -0.87 -0.82 -1.40 114.94 117.43 2np1 s ASN 103 Ca 0.25 -1.13 -0.24 0.00 -1.57 0.00 0.00 52.86 50.17 2np1 s ASN 103 Cb 0.11 -1.88 0.05 0.00 -0.02 0.00 0.00 41.25 39.52 2np1 s ASN 103 CO 0.19 -0.33 0.87 -0.72 -2.57 0.00 0.00 177.10 174.54 2np1 s TYR 104 N 1.41 -0.18 0.02 2.20 -0.85 -0.34 -3.89 117.35 115.72 2np1 s TYR 104 Ca -0.01 -0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.36 2np1 s TYR 104 Cb -0.19 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 2np1 s TYR 104 CO 0.03 -0.93 0.03 1.52 -1.52 0.00 0.00 175.55 174.68 2np1 s TYR 105 N -3.48 0.24 0.12 -3.49 -0.85 0.21 -1.13 117.35 108.97 2np1 s TYR 105 Ca 0.11 -0.51 0.10 0.00 -0.52 0.00 0.00 57.07 56.25 2np1 s TYR 105 Cb -0.03 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 2np1 s TYR 105 CO 0.02 -0.26 -0.25 0.95 -1.52 0.00 0.00 175.55 174.49 2np1 s THR 106 N -1.94 2.09 -0.01 -3.49 -4.23 -0.92 0.76 115.64 107.89 2np1 s THR 106 Ca -0.11 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 2np1 s THR 106 Cb -0.06 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 71.93 2np1 s THR 106 CO -0.02 0.07 0.19 0.72 -0.54 0.00 0.00 174.62 175.03 2np1 s PHE 107 N -1.07 -0.05 -0.08 3.99 -0.71 -0.37 -0.71 117.98 118.98 2np1 s PHE 107 Ca 0.12 0.07 0.05 0.00 -1.04 0.00 0.00 56.93 56.12 2np1 s PHE 107 Cb -0.10 0.00 -0.00 0.00 -1.21 0.00 0.00 43.02 41.71 2np1 s PHE 107 CO 0.05 -0.28 -0.23 0.99 -1.34 0.00 0.00 175.22 174.41 2np1 s THR 108 N -1.12 1.95 -0.57 -4.49 2.01 -0.12 -0.71 115.64 112.58 2np1 s THR 108 Ca -0.12 -0.98 -0.22 0.00 0.31 0.00 0.00 61.69 60.68 2np1 s THR 108 Cb -0.06 -1.67 0.06 0.00 0.01 0.00 0.00 72.50 70.83 2np1 s THR 108 CO 0.02 0.54 0.85 -0.69 -0.69 0.00 0.00 174.62 174.65 2np1 s VAL 109 N 0.14 4.52 0.08 3.82 1.01 0.23 -1.45 120.40 128.75 2np1 s VAL 109 Ca -0.12 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.81 2np1 s VAL 109 Cb -0.16 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.63 2np1 s VAL 109 CO 0.06 -1.13 1.42 0.24 0.00 0.00 0.00 175.10 175.69 2np1 h MET 110 N 9.29 0.00 -2.03 2.72 2.86 -0.96 -1.48 114.93 125.34 2np1 h MET 110 Ca -0.27 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 2np1 h MET 110 Cb 1.08 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.54 2np1 h MET 110 CO 1.08 0.75 0.14 -0.47 1.06 0.00 0.00 176.91 179.48 2np1 s TYR 111 N -3.00 -0.73 -0.27 -0.22 5.04 -1.01 -3.55 117.35 113.62 2np1 s TYR 111 Ca 0.01 1.58 -0.25 0.00 -2.44 0.00 0.00 57.07 55.98 2np1 s TYR 111 Cb 0.10 0.32 0.09 0.00 0.35 0.00 0.00 41.96 42.82 2np1 s TYR 111 CO 0.78 -0.47 0.83 0.00 -1.34 0.00 0.00 175.55 175.36 2np1 s ALA 112 N -0.25 -1.86 0.00 3.97 0.00 -1.26 -0.67 121.76 121.69 2np1 s ALA 112 Ca -0.04 1.98 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2np1 s ALA 112 Cb -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2np1 s ALA 112 CO 0.05 -0.30 0.00 -0.40 0.00 0.00 0.00 175.76 175.10 2np1 n ASP 113 N 2.56 0.39 0.24 0.00 5.68 -0.39 -4.92 116.55 120.11 2np1 n ASP 113 Ca -0.14 -0.08 0.12 0.00 -0.50 0.00 0.00 54.79 54.19 2np1 n ASP 113 Cb 0.55 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.06 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 5.19 -2.02 -3.35 116.42 115.12 2np1 h ASP 114 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2np1 h ASP 114 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2np1 h ASP 114 CO 0.00 0.17 0.00 -1.54 -3.12 0.00 0.00 179.24 174.75 2np1 n SER 115 N -3.36 0.03 -3.99 6.45 3.41 -1.26 -4.88 113.62 110.03 2np1 n SER 115 Ca 0.00 -0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 58.08 2np1 n SER 115 Cb 0.39 0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 65.06 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 -0.80 0.12 -0.07 4.04 1.04 -1.26 -1.47 113.70 115.31 2np1 s SER 116 Ca 0.00 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.23 2np1 s SER 116 Cb 0.00 0.39 0.11 0.00 0.10 0.00 0.00 66.02 66.62 2np1 s SER 116 CO 0.00 -0.83 0.91 0.00 0.98 0.00 0.00 173.24 174.30 2np1 s ALA 117 N -3.97 -1.86 -0.14 5.32 0.00 -0.86 -1.26 121.76 119.00 2np1 s ALA 117 Ca 0.16 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 2np1 s ALA 117 Cb 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.16 2np1 s ALA 117 CO -0.01 -0.52 -0.10 -1.17 0.00 0.00 0.00 175.76 173.95 2np1 s LEU 118 N -1.88 1.47 0.25 0.00 2.96 0.15 -0.38 118.68 121.26 2np1 s LEU 118 Ca 0.01 -0.44 0.10 0.00 -0.22 0.00 0.00 54.13 53.58 2np1 s LEU 118 Cb -0.01 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2np1 s LEU 118 CO -0.04 -0.10 -0.18 0.27 -1.32 0.00 0.00 176.35 174.98 2np1 s ILE 119 N 1.60 2.19 -0.08 6.68 -4.36 -0.61 -0.41 121.20 126.21 2np1 s ILE 119 Ca 0.04 -2.32 0.05 0.00 -0.26 0.00 0.00 60.65 58.16 2np1 s ILE 119 Cb -0.13 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 2np1 s ILE 119 CO -0.09 -0.46 -0.23 -2.28 0.24 0.00 0.00 174.94 172.12 2np1 s HIS 120 N -2.65 2.53 0.06 1.37 5.65 -0.53 -1.40 115.29 120.32 2np1 s HIS 120 Ca 0.27 -0.78 0.06 0.00 0.25 0.00 0.00 55.06 54.85 2np1 s HIS 120 Cb -0.04 -1.66 -0.03 0.00 -1.18 0.00 0.00 32.58 29.68 2np1 s HIS 120 CO 0.12 -0.26 -0.16 0.95 -0.65 0.00 0.00 174.74 174.74 2np1 s THR 121 N 0.01 1.31 -0.17 0.89 -4.23 0.10 -0.95 115.64 112.60 2np1 s THR 121 Ca -0.08 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2np1 s THR 121 Cb -0.15 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.53 2np1 s THR 121 CO 0.05 -0.05 -0.07 0.00 -0.54 0.00 0.00 174.62 174.02 2np1 s LEU 123 N 1.56 4.23 -0.18 0.00 2.96 -1.26 -2.17 118.68 123.82 2np1 s LEU 123 Ca 0.00 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2np1 s LEU 123 Cb -0.15 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.03 2np1 s LEU 123 CO -0.08 0.01 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.51 2np1 s HIS 124 N 0.75 2.62 -0.17 5.38 5.65 -0.28 -0.22 115.29 129.02 2np1 s HIS 124 Ca 0.21 -1.57 -0.03 0.00 0.25 0.00 0.00 55.06 53.92 2np1 s HIS 124 Cb -0.14 -1.82 0.05 0.00 -1.18 0.00 0.00 32.58 29.49 2np1 s HIS 124 CO 0.07 -0.77 0.03 0.21 -0.65 0.00 0.00 174.74 173.63 2np1 s LYS 125 N 1.34 0.61 -0.56 2.88 2.20 -0.74 -1.20 119.74 124.28 2np1 s LYS 125 Ca 0.04 -0.32 -0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2np1 s LYS 125 Cb -0.14 -1.91 -0.00 0.00 -1.51 0.00 0.00 37.83 34.27 2np1 s LYS 125 CO -0.12 -0.59 0.47 0.41 -0.36 0.00 0.00 175.35 175.17 2np1 n GLY 126 N 5.08 0.05 2.28 5.54 0.00 -0.50 -3.32 105.19 114.32 2np1 n GLY 126 Ca -0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 -3.67 -4.33 1.61 4.13 -1.16 -4.92 115.26 104.89 2np1 n ASN 127 Ca -0.13 0.20 -0.35 0.00 1.68 0.00 0.00 54.58 55.98 2np1 n ASN 127 Cb 0.58 -2.95 -0.14 0.00 -1.54 0.00 0.00 39.78 35.73 2np1 n ASN 127 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2np1 s LYS 128 N -2.38 3.40 0.42 3.52 2.36 -1.21 -5.09 119.74 120.76 2np1 s LYS 128 Ca 0.00 -0.61 -0.24 0.00 -2.55 0.00 0.00 55.97 52.57 2np1 s LYS 128 Cb 0.00 -3.01 -0.08 0.00 -1.05 0.00 0.00 37.83 33.68 2np1 s LYS 128 CO 0.00 -0.17 1.10 0.34 1.55 0.00 0.00 175.35 178.18 2np1 s ASP 129 N 1.41 6.55 0.00 1.43 2.15 -1.26 -1.78 116.67 125.16 2np1 s ASP 129 Ca 0.05 2.17 0.05 0.00 0.43 0.00 0.00 52.55 55.25 2np1 s ASP 129 Cb -0.14 -2.60 0.13 0.00 -0.30 0.00 0.00 42.92 40.01 2np1 s ASP 129 CO -0.02 -0.64 1.06 0.18 -0.17 0.00 0.00 175.17 175.57 2np1 n LEU 130 N -0.15 2.31 0.00 -1.34 4.32 0.69 -4.62 117.00 118.21 2np1 n LEU 130 Ca 0.05 -1.88 0.00 0.00 -0.02 0.00 0.00 56.01 54.17 2np1 n LEU 130 Cb 0.49 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2np1 n LEU 130 CO 0.47 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.82 2np1 n GLY 131 N 0.01 0.75 3.76 -0.72 0.00 -1.26 -4.81 105.19 102.92 2np1 n GLY 131 Ca 0.05 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 2np1 n GLY 131 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2np1 n ASP 132 N -0.37 3.42 -3.69 1.61 8.00 -1.26 -4.21 116.55 120.05 2np1 n ASP 132 Ca 0.00 1.18 -0.18 0.00 0.71 0.00 0.00 54.79 56.50 2np1 n ASP 132 Cb 0.00 -1.59 -0.17 0.00 -0.02 0.00 0.00 41.12 39.34 2np1 n ASP 132 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2np1 s LEU 133 N -2.15 0.28 -0.12 0.64 0.20 -0.72 -1.92 118.68 114.90 2np1 s LEU 133 Ca 0.57 0.16 -0.04 0.00 0.69 0.00 0.00 54.13 55.51 2np1 s LEU 133 Cb -0.48 0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.28 2np1 s LEU 133 CO 0.61 -0.22 0.03 -0.31 -0.29 0.00 0.00 176.35 176.17 2np1 s TYR 134 N 1.94 3.23 -0.02 5.38 2.02 0.22 -0.72 117.35 129.40 2np1 s TYR 134 Ca 0.01 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.90 2np1 s TYR 134 Cb -0.12 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 2np1 s TYR 134 CO -0.04 0.39 -0.08 0.00 -1.57 0.00 0.00 175.55 174.25 2np1 s ALA 135 N -0.52 0.72 -0.21 3.71 0.00 -0.49 -0.45 121.76 124.52 2np1 s ALA 135 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 2np1 s ALA 135 Cb -0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2np1 s ALA 135 CO 0.02 0.13 0.22 0.08 0.00 0.00 0.00 175.76 176.22 2np1 s VAL 136 N 0.07 5.33 0.18 0.00 1.01 0.37 -1.58 120.40 125.79 2np1 s VAL 136 Ca -0.01 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2np1 s VAL 136 Cb -0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2np1 s VAL 136 CO 0.00 0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 174.68 2np1 s LEU 137 N 0.88 3.27 -0.00 3.92 1.43 0.49 -0.97 118.68 127.69 2np1 s LEU 137 Ca 0.11 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2np1 s LEU 137 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2np1 s LEU 137 CO 0.04 0.08 0.14 0.21 0.23 0.00 0.00 176.35 177.05 2np1 s ASN 138 N -3.00 0.01 0.00 2.29 3.84 -0.01 -2.03 114.94 116.04 2np1 s ASN 138 Ca 0.28 -0.16 0.26 0.00 0.21 0.00 0.00 52.86 53.45 2np1 s ASN 138 Cb -0.09 0.22 1.27 0.00 -0.55 0.00 0.00 41.25 42.10 2np1 s ASN 138 CO 0.18 -0.35 1.87 0.54 -2.79 0.00 0.00 177.10 176.56 2np1 n ARG 139 N 1.57 0.30 -4.24 0.43 1.74 -0.54 -1.03 116.66 114.88 2np1 n ARG 139 Ca -0.22 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.64 2np1 n ARG 139 Cb 0.56 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.33 2np1 n ARG 139 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2np1 s ASN 140 N -2.66 2.15 0.03 0.55 3.84 -1.26 -4.87 114.94 112.71 2np1 s ASN 140 Ca 0.22 -0.34 0.09 0.00 0.21 0.00 0.00 52.86 53.03 2np1 s ASN 140 Cb 0.17 -0.92 0.38 0.00 -0.55 0.00 0.00 41.25 40.34 2np1 s ASN 140 CO 0.41 -0.04 1.27 2.29 -2.79 0.00 0.00 177.10 178.25 2np1 n LYS 141 N 4.42 0.02 0.00 0.43 2.85 -1.26 -3.02 118.16 121.59 2np1 n LYS 141 Ca -0.18 0.40 0.07 0.00 -1.05 0.00 0.00 58.31 57.56 2np1 n LYS 141 Cb 0.51 -1.55 0.06 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.58 2.22 -4.73 -5.58 8.00 -1.26 -4.95 116.55 108.67 2np1 n ASP 142 Ca 0.01 -1.61 -0.40 0.00 0.71 0.00 0.00 54.79 53.51 2np1 n ASP 142 Cb 0.09 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.25 4.91 0.49 -3.53 2.01 -1.17 -5.05 115.64 112.06 2np1 s THR 143 Ca 0.17 1.56 -0.21 0.00 0.31 0.00 0.00 61.69 63.53 2np1 s THR 143 Cb 0.12 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 2np1 s THR 143 CO 0.19 0.29 1.09 0.20 -0.69 0.00 0.00 174.62 175.69 2np1 s ASN 144 N 0.48 6.15 0.19 3.53 0.01 -1.26 -4.97 114.94 119.06 2np1 s ASN 144 Ca 0.39 2.07 -0.32 0.00 -0.71 0.00 0.00 52.86 54.29 2np1 s ASN 144 Cb -0.19 -2.58 -0.11 0.00 0.41 0.00 0.00 41.25 38.78 2np1 s ASN 144 CO 0.21 -0.92 1.67 0.00 -1.51 0.00 0.00 177.10 176.55 2np1 s ALA 145 N -1.82 3.89 0.89 0.60 0.00 -1.26 -4.98 121.76 119.07 2np1 s ALA 145 Ca 0.68 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 54.04 2np1 s ALA 145 Cb -0.21 -3.67 0.18 0.00 0.00 0.00 0.00 23.12 19.42 2np1 s ALA 145 CO 0.25 -0.88 1.22 0.20 0.00 0.00 0.00 175.76 176.55 2np1 s GLY 146 N 1.18 1.78 0.36 0.00 0.00 -1.26 -4.86 107.32 104.51 2np1 s GLY 146 Ca 0.73 -1.39 0.05 0.00 0.00 0.00 0.00 44.72 44.12 2np1 s GLY 146 CO 0.32 -0.67 1.97 -0.55 0.00 0.00 0.00 173.10 174.16 2np1 h ASP 147 N -1.30 0.67 -0.22 1.64 3.32 -1.98 -1.72 116.42 116.83 2np1 h ASP 147 Ca -0.42 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 2np1 h ASP 147 Cb 1.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2np1 h ASP 147 CO 0.38 0.44 -0.11 0.11 -1.72 0.00 0.00 179.24 178.34 2np1 h LYS 148 N 0.76 0.47 -0.34 3.56 1.57 -1.99 -1.43 116.57 119.17 2np1 h LYS 148 Ca 0.30 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2np1 h LYS 148 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2np1 h LYS 148 CO -0.09 0.75 -0.30 -0.24 -0.57 0.00 0.00 179.45 178.99 2np1 h VAL 149 N 0.17 1.29 -0.64 0.50 3.04 -1.91 -2.73 116.25 115.97 2np1 h VAL 149 Ca 0.05 -1.46 0.09 0.00 -1.01 0.00 0.00 66.70 64.36 2np1 h VAL 149 Cb 0.61 1.46 -0.04 0.00 -2.01 0.00 0.00 31.29 31.31 2np1 h VAL 149 CO 0.03 0.48 0.43 0.11 -1.01 0.00 0.00 177.57 177.61 2np1 h LYS 150 N 0.58 0.50 -0.21 4.17 1.57 -1.27 -1.02 116.57 120.90 2np1 h LYS 150 Ca 0.06 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2np1 h LYS 150 Cb 0.88 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2np1 h LYS 150 CO 0.08 0.33 -0.37 0.78 -0.57 0.00 0.00 179.45 179.70 2np1 h GLY 151 N 0.52 0.49 1.83 3.86 0.00 -1.09 -2.12 103.07 106.55 2np1 h GLY 151 Ca 0.29 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 2np1 h GLY 151 CO -0.09 0.42 -0.50 0.00 0.00 0.00 0.00 176.54 176.37 2np1 h ALA 152 N 1.22 1.03 -0.13 3.60 0.00 -0.92 0.08 119.26 124.15 2np1 h ALA 152 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2np1 h ALA 152 Cb 0.83 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2np1 h ALA 152 CO 0.07 0.65 -0.03 0.28 0.00 0.00 0.00 179.25 180.22 2np1 h VAL 153 N 0.15 1.29 -0.67 0.00 2.07 -0.99 -2.79 116.25 115.31 2np1 h VAL 153 Ca 0.01 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2np1 h VAL 153 Cb 0.93 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 2np1 h VAL 153 CO 0.07 0.28 0.43 0.74 0.02 0.00 0.00 177.57 179.11 2np1 h THR 154 N -0.07 1.11 0.00 2.57 2.02 -1.17 -2.20 112.91 115.17 2np1 h THR 154 Ca 0.03 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2np1 h THR 154 Cb 0.45 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2np1 h THR 154 CO 0.01 0.15 -0.01 0.00 0.37 0.00 0.00 175.52 176.05 2np1 h ALA 155 N 1.28 1.01 -0.54 6.16 0.00 -0.94 0.34 119.26 126.57 2np1 h ALA 155 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2np1 h ALA 155 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2np1 h ALA 155 CO -0.09 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2np1 n ALA 156 N -2.09 2.42 -2.75 0.00 0.00 -0.85 -4.93 120.51 112.30 2np1 n ALA 156 Ca -0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 2np1 n ALA 156 Cb 0.19 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 1.13 -4.31 -4.68 0.00 7.64 0.11 -5.05 113.62 108.46 2np1 n SER 157 Ca 0.19 -0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2np1 n SER 157 Cb 0.48 -3.16 -0.08 0.00 -1.01 0.00 0.00 64.21 60.43 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 -4.23 3.07 -0.23 -3.43 1.43 -1.05 -5.04 118.68 109.20 2np1 s LEU 158 Ca 0.20 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.26 2np1 s LEU 158 Cb -0.09 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 2np1 s LEU 158 CO 0.24 -0.35 -0.03 -0.54 0.23 0.00 0.00 176.35 175.90 2np1 s LYS 159 N -3.80 3.28 0.64 1.70 -0.14 -1.26 -4.08 119.74 116.08 2np1 s LYS 159 Ca 0.37 -0.70 0.42 0.00 -1.36 0.00 0.00 55.97 54.70 2np1 s LYS 159 Cb 0.01 -3.05 2.24 0.00 -1.68 0.00 0.00 37.83 35.35 2np1 s LYS 159 CO 0.21 -0.25 2.32 0.35 -0.76 0.00 0.00 175.35 177.21 2np1 h PHE 160 N 8.12 0.00 -0.48 3.18 3.57 -1.92 -1.24 116.94 128.16 2np1 h PHE 160 Ca -0.39 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 2np1 h PHE 160 Cb 1.15 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2np1 h PHE 160 CO 0.59 0.00 0.04 0.77 -2.23 0.00 0.00 178.31 177.49 2np1 h SER 161 N 0.00 0.72 0.81 0.41 0.02 -2.02 -2.07 113.55 111.41 2np1 h SER 161 Ca -0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2np1 h SER 161 Cb 0.06 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2np1 h SER 161 CO 0.00 0.76 0.00 0.47 -1.14 0.00 0.00 176.83 176.92 2np1 n ASP 162 N -4.25 0.41 -4.76 3.07 8.00 -0.47 -4.81 116.55 113.74 2np1 n ASP 162 Ca 0.03 0.58 -0.40 0.00 0.71 0.00 0.00 54.79 55.71 2np1 n ASP 162 Cb 0.27 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 2np1 n ASP 162 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2np1 s PHE 163 N -3.15 3.29 -0.13 1.24 0.40 -0.78 -4.84 117.98 114.00 2np1 s PHE 163 Ca 0.07 1.57 -0.06 0.00 -0.60 0.00 0.00 56.93 57.91 2np1 s PHE 163 Cb 0.11 -3.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 2np1 s PHE 163 CO 0.40 -1.18 0.09 0.42 0.70 0.00 0.00 175.22 175.66 2np1 s ILE 164 N -1.20 5.09 0.08 0.64 1.01 0.88 -4.85 121.20 122.85 2np1 s ILE 164 Ca 0.48 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 61.03 2np1 s ILE 164 Cb -0.35 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 2np1 s ILE 164 CO 0.45 0.57 0.50 -0.55 0.00 0.00 0.00 174.94 175.91 2np1 s SER 165 N -0.57 6.88 0.00 3.58 0.15 -1.26 -0.93 113.70 121.55 2np1 s SER 165 Ca 0.11 1.08 0.25 0.00 0.70 0.00 0.00 55.95 58.09 2np1 s SER 165 Cb -0.12 -2.29 0.40 0.00 -1.71 0.00 0.00 66.02 62.30 2np1 s SER 165 CO 0.02 0.23 1.37 0.35 1.20 0.00 0.00 173.24 176.41 2np1 n THR 166 N 1.39 0.00 -0.21 6.45 -2.24 -0.36 -4.59 114.28 114.73 2np1 n THR 166 Ca -0.10 -0.38 0.01 0.00 -2.27 0.00 0.00 64.05 61.32 2np1 n THR 166 Cb 0.52 1.16 0.11 0.00 -2.10 0.00 0.00 70.33 70.02 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 3.60 0.16 -1.27 -0.78 3.64 -1.92 -2.30 116.57 117.70 2np1 h LYS 167 Ca 0.00 -0.01 -0.70 0.00 -1.27 0.00 0.00 60.65 58.67 2np1 h LYS 167 Cb 0.82 -0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 32.31 2np1 h LYS 167 CO 0.00 0.10 0.87 -0.25 -2.27 0.00 0.00 179.45 177.91 2np1 n ASP 168 N -5.24 7.57 -0.56 4.20 8.00 -1.26 -4.53 116.55 124.74 2np1 n ASP 168 Ca 0.10 -3.80 0.06 0.00 0.71 0.00 0.00 54.79 51.86 2np1 n ASP 168 Cb 0.36 -0.98 0.08 0.00 -0.02 0.00 0.00 41.12 40.56 2np1 n ASP 168 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2np1 n ASN 169 N -0.81 2.31 -2.78 -2.24 3.02 -0.87 -4.99 115.26 108.91 2np1 n ASN 169 Ca 0.60 -1.65 -0.20 0.00 -0.03 0.00 0.00 54.58 53.29 2np1 n ASN 169 Cb 0.55 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.70 -4.61 -2.19 3.52 5.02 -1.26 -4.68 118.16 114.66 2np1 n LYS 170 Ca 0.09 0.83 -0.39 0.00 -2.02 0.00 0.00 58.31 56.82 2np1 n LYS 170 Cb 0.35 -5.52 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 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 -2.23 1.31 0.11 0.00 2.56 -1.26 -5.15 118.70 114.05 2np1 s GLU 172 Ca 0.56 -0.41 0.10 0.00 0.00 0.00 0.00 54.97 55.22 2np1 s GLU 172 Cb -0.34 -1.17 -0.04 0.00 2.00 0.00 0.00 34.13 34.58 2np1 s GLU 172 CO 0.44 0.14 -0.24 0.71 -0.56 0.00 0.00 175.26 175.74 2np1 s TYR 173 N 0.23 2.09 -0.71 5.30 1.51 -1.26 -4.89 117.35 119.63 2np1 s TYR 173 Ca -0.05 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 2np1 s TYR 173 Cb -0.11 -1.14 0.17 0.00 -0.11 0.00 0.00 41.96 40.77 2np1 s TYR 173 CO 0.01 0.27 0.50 -3.47 -1.11 0.00 0.00 175.55 171.75 2np1 n ASP 174 N 1.06 3.00 0.17 2.29 2.03 -1.26 -4.92 116.55 118.93 2np1 n ASP 174 Ca -0.18 -3.21 0.03 0.00 0.52 0.00 0.00 54.79 51.94 2np1 n ASP 174 Cb 0.53 -0.76 0.38 0.00 -0.72 0.00 0.00 41.12 40.56 2np1 n ASP 174 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2np1 h ASN 175 N 5.37 0.06 0.00 1.67 -0.26 -1.99 -2.45 115.58 117.99 2np1 h ASN 175 Ca 0.15 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2np1 h ASN 175 Cb 0.75 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.00 2np1 h ASN 175 CO 0.72 0.35 -0.00 0.58 -1.06 0.00 0.00 177.43 178.02 2np1 h VAL 176 N 0.06 0.99 -0.33 2.81 2.07 -2.00 -1.05 116.25 118.80 2np1 h VAL 176 Ca 0.01 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 2np1 h VAL 176 Cb 0.55 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2np1 h VAL 176 CO 0.04 0.00 -0.28 0.28 0.02 0.00 0.00 177.57 177.63 2np1 h SER 177 N -0.01 0.71 0.23 0.57 0.02 -1.87 -1.59 113.55 111.61 2np1 h SER 177 Ca 0.00 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2np1 h SER 177 Cb 0.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2np1 h SER 177 CO -0.00 0.95 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.30 2np1 h LEU 178 N 0.59 -0.74 -0.88 5.07 3.38 -1.12 0.15 115.31 121.77 2np1 h LEU 178 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2np1 h LEU 178 Cb 0.78 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2np1 h LEU 178 CO 0.06 -0.38 0.56 0.11 0.09 0.00 0.00 178.44 178.88 2np1 h LYS 179 N -0.55 1.18 0.00 1.13 1.57 -1.15 -2.63 116.57 116.12 2np1 h LYS 179 Ca 0.00 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2np1 h LYS 179 Cb 0.52 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2np1 h LYS 179 CO -0.08 0.81 -0.29 0.66 -0.57 0.00 0.00 179.45 179.97 2np1 h SER 180 N 1.21 0.00 0.76 0.86 4.64 -0.70 -2.91 113.55 117.41 2np1 h SER 180 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2np1 h SER 180 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2np1 h SER 180 CO -0.06 0.29 0.00 -0.07 -0.87 0.00 0.00 176.83 176.12 2np1 h LEU 181 N 0.00 0.00 -1.98 5.97 3.38 -0.33 -3.08 115.31 119.27 2np1 h LEU 181 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 2np1 h LEU 181 Cb 0.78 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2np1 h LEU 181 CO 0.04 0.00 0.69 -0.07 0.09 0.00 0.00 178.44 179.19 2np1 h LEU 182 N 0.00 0.01 -1.27 1.67 4.07 -1.55 0.09 115.31 118.33 2np1 h LEU 182 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2np1 h LEU 182 Cb 0.38 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2np1 h LEU 182 CO 0.00 0.00 -0.31 0.35 -1.08 0.00 0.00 178.44 177.40 2np1 n THR 183 N -4.26 0.00 1.66 0.22 -2.24 -1.16 -4.68 114.28 103.82 2np1 n THR 183 Ca 0.20 -0.33 0.15 0.00 -2.27 0.00 0.00 64.05 61.80 2np1 n THR 183 Cb 1.02 1.29 0.66 0.00 -2.10 0.00 0.00 70.33 71.21 2np1 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79