#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngz s LEU 2 N 0.00 3.33 0.13 4.31 1.98 -1.26 -4.97 118.68 122.20 1ngz s LEU 2 Ca 0.00 0.12 -0.30 0.00 -2.89 0.00 0.00 54.13 51.06 1ngz s LEU 2 Cb 0.00 -2.86 -0.07 0.00 0.66 0.00 0.00 46.19 43.92 1ngz s LEU 2 CO 0.00 -1.84 1.16 -0.69 -1.89 0.00 0.00 176.35 173.09 1ngz s VAL 3 N 6.45 3.85 -0.36 1.68 1.01 -1.26 -4.72 120.40 127.06 1ngz s VAL 3 Ca 0.51 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.91 1ngz s VAL 3 Cb -0.10 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1ngz s VAL 3 CO 0.22 0.20 0.12 -0.04 0.00 0.00 0.00 175.10 175.60 1ngz s MET 4 N 0.21 2.42 -0.40 2.72 -1.94 -1.26 -1.17 119.30 119.88 1ngz s MET 4 Ca 0.54 -1.40 -0.20 0.00 -1.71 0.00 0.00 55.69 52.92 1ngz s MET 4 Cb -0.30 -3.46 0.01 0.00 2.01 0.00 0.00 34.83 33.09 1ngz s MET 4 CO 0.33 -0.79 0.60 0.99 -0.01 0.00 0.00 175.02 176.15 1ngz s THR 5 N 1.30 4.89 -0.15 2.05 2.01 0.05 -4.17 115.64 121.62 1ngz s THR 5 Ca 0.00 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 1ngz s THR 5 Cb -0.21 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1ngz s THR 5 CO -0.00 -0.45 0.05 -1.58 -0.69 0.00 0.00 174.62 171.95 1ngz s GLN 6 N 2.67 3.64 0.01 4.92 0.74 -1.26 -1.06 119.66 129.33 1ngz s GLN 6 Ca 0.22 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.28 1ngz s GLN 6 Cb -0.15 -3.09 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 1ngz s GLN 6 CO 0.17 0.46 0.01 0.95 -0.55 0.00 0.00 175.29 176.32 1ngz s THR 7 N -0.16 0.09 0.71 -0.34 -4.23 0.10 -4.55 115.64 107.27 1ngz s THR 7 Ca 0.07 -0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1ngz s THR 7 Cb -0.12 -0.26 0.07 0.00 1.34 0.00 0.00 72.50 73.53 1ngz s THR 7 CO 0.01 -0.41 1.02 -2.16 -0.54 0.00 0.00 174.62 172.55 1ngz s PRO 8 N -1.23 2.09 0.15 3.99 0.04 -1.26 -0.73 135.00 138.05 1ngz s PRO 8 Ca -0.13 -0.34 -0.02 0.00 0.04 0.00 0.00 61.00 60.55 1ngz s PRO 8 Cb -0.08 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1ngz s PRO 8 CO -0.00 -1.29 1.37 0.87 0.04 0.00 0.00 177.00 177.98 1ngz h LYS 9 N -0.62 0.37 -3.63 4.56 1.79 -1.80 -3.39 116.57 113.85 1ngz h LYS 9 Ca -0.44 -0.36 -0.14 0.00 -2.18 0.00 0.00 60.65 57.53 1ngz h LYS 9 Cb 1.31 0.09 -0.20 0.00 -1.58 0.00 0.00 32.23 31.85 1ngz h LYS 9 CO 0.58 1.02 -0.52 -0.06 -1.08 0.00 0.00 179.45 179.38 1ngz s PHE 10 N -3.39 0.10 -0.13 -1.35 0.40 -1.26 -1.20 117.98 111.15 1ngz s PHE 10 Ca -0.05 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.73 1ngz s PHE 10 Cb 0.10 -0.08 0.07 0.00 0.51 0.00 0.00 43.02 43.62 1ngz s PHE 10 CO 0.85 -0.29 0.71 0.00 0.70 0.00 0.00 175.22 177.19 1ngz s MET 11 N -1.61 0.96 -0.00 0.44 0.23 -0.34 -4.91 119.30 114.07 1ngz s MET 11 Ca -0.13 0.48 0.04 0.00 -1.03 0.00 0.00 55.69 55.05 1ngz s MET 11 Cb -0.07 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 1ngz s MET 11 CO 0.00 -0.25 -0.12 -1.54 -2.03 0.00 0.00 175.02 171.09 1ngz s SER 12 N -0.68 4.26 0.26 -1.18 1.04 -1.26 -0.71 113.70 115.42 1ngz s SER 12 Ca -0.07 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 1ngz s SER 12 Cb -0.02 -0.90 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 1ngz s SER 12 CO 0.07 0.30 0.35 0.28 0.98 0.00 0.00 173.24 175.21 1ngz s THR 13 N -0.90 0.00 0.17 2.02 -1.32 -0.59 -4.84 115.64 110.18 1ngz s THR 13 Ca 0.15 -1.68 0.10 0.00 -1.21 0.00 0.00 61.69 59.05 1ngz s THR 13 Cb -0.11 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1ngz s THR 13 CO 0.05 0.00 -0.20 -0.44 -2.21 0.00 0.00 174.62 171.82 1ngz s SER 14 N -3.13 3.69 0.21 8.08 0.01 -1.26 -0.32 113.70 120.97 1ngz s SER 14 Ca 0.31 -0.74 -0.32 0.00 1.31 0.00 0.00 55.95 56.50 1ngz s SER 14 Cb 0.02 -0.41 -0.13 0.00 0.21 0.00 0.00 66.02 65.72 1ngz s SER 14 CO 0.14 0.13 1.58 0.52 0.41 0.00 0.00 173.24 176.02 1ngz n VAL 15 N 0.34 0.34 0.00 3.43 0.31 -1.26 -1.43 118.33 120.06 1ngz n VAL 15 Ca -0.13 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1ngz n VAL 15 Cb 0.55 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1ngz n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ngz n GLY 16 N 3.11 1.92 3.96 2.92 0.00 0.50 -4.88 105.19 112.71 1ngz n GLY 16 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1ngz n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ngz s ASP 17 N -1.57 4.33 -0.01 1.61 1.01 -0.52 -4.02 116.67 117.50 1ngz s ASP 17 Ca 0.00 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.34 1ngz s ASP 17 Cb 0.00 -0.51 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 1ngz s ASP 17 CO 0.00 -1.89 0.01 -0.60 0.21 0.00 0.00 175.17 172.90 1ngz s ARG 18 N -5.30 2.85 -0.05 8.23 3.52 -1.26 -0.33 118.95 126.61 1ngz s ARG 18 Ca 0.65 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1ngz s ARG 18 Cb -0.07 -2.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1ngz s ARG 18 CO 0.46 0.64 -0.21 0.08 -0.81 0.00 0.00 175.30 175.45 1ngz s VAL 19 N -1.07 1.74 -0.10 7.11 1.01 0.11 -4.96 120.40 124.23 1ngz s VAL 19 Ca 0.19 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1ngz s VAL 19 Cb -0.12 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1ngz s VAL 19 CO 0.09 0.49 -0.16 -0.44 0.00 0.00 0.00 175.10 175.09 1ngz s SER 20 N -0.11 2.44 -0.06 3.32 0.01 -1.26 -0.16 113.70 117.88 1ngz s SER 20 Ca -0.02 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 56.86 1ngz s SER 20 Cb -0.12 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1ngz s SER 20 CO 0.03 0.03 -0.24 -0.63 0.41 0.00 0.00 173.24 172.84 1ngz s ILE 21 N 0.88 1.96 0.00 1.44 1.01 -0.04 -4.75 121.20 121.71 1ngz s ILE 21 Ca -0.09 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.61 1ngz s ILE 21 Cb -0.15 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1ngz s ILE 21 CO 0.00 0.55 -0.17 -0.89 0.00 0.00 0.00 174.94 174.43 1ngz s THR 22 N -0.11 2.88 -0.05 2.92 2.01 0.09 -0.81 115.64 122.57 1ngz s THR 22 Ca -0.04 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1ngz s THR 22 Cb -0.14 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1ngz s THR 22 CO 0.04 0.45 -0.01 0.00 -0.69 0.00 0.00 174.62 174.40 1ngz s LYS 24 N 1.30 3.16 0.11 0.00 1.02 -0.22 -0.66 119.74 124.45 1ngz s LYS 24 Ca -0.05 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.00 1ngz s LYS 24 Cb -0.13 -2.47 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1ngz s LYS 24 CO -0.02 0.12 0.50 0.00 -0.92 0.00 0.00 175.35 175.03 1ngz s ALA 25 N 0.53 3.62 -1.07 5.17 0.00 0.56 -0.77 121.76 129.80 1ngz s ALA 25 Ca -0.12 -0.18 0.23 0.00 0.00 0.00 0.00 51.96 51.89 1ngz s ALA 25 Cb -0.17 -2.46 1.03 0.00 0.00 0.00 0.00 23.12 21.52 1ngz s ALA 25 CO 0.04 0.48 1.76 -1.13 0.00 0.00 0.00 175.76 176.91 1ngz n SER 26 N 1.00 0.00 -3.84 0.00 3.41 -0.32 -4.76 113.62 109.11 1ngz n SER 26 Ca -0.07 0.40 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 1ngz n SER 26 Cb 0.52 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1ngz n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ngz s GLN 27 N -2.93 0.78 0.11 4.33 -0.21 -1.26 -4.97 119.66 115.52 1ngz s GLN 27 Ca 0.13 -0.77 -0.31 0.00 0.02 0.00 0.00 55.36 54.43 1ngz s GLN 27 Cb 0.15 0.32 -0.09 0.00 1.00 0.00 0.00 33.01 34.40 1ngz s GLN 27 CO 0.41 -0.24 1.57 1.21 -2.12 0.00 0.00 175.29 176.13 1ngz s ASN 28 N -2.46 6.64 -0.10 5.90 3.84 -1.26 -4.76 114.94 122.73 1ngz s ASN 28 Ca -0.00 2.50 0.13 0.00 0.21 0.00 0.00 52.86 55.70 1ngz s ASN 28 Cb 0.02 -2.58 0.26 0.00 -0.55 0.00 0.00 41.25 38.40 1ngz s ASN 28 CO -0.07 -0.82 1.17 1.33 -2.79 0.00 0.00 177.10 175.91 1ngz n VAL 29 N 4.32 1.68 0.00 -5.21 0.24 0.13 -5.02 118.33 114.48 1ngz n VAL 29 Ca 0.14 -1.81 0.00 0.00 -2.04 0.00 0.00 64.34 60.64 1ngz n VAL 29 Cb 0.40 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1ngz n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngz n GLY 30 N -0.91 4.09 0.07 7.63 0.00 -1.24 -1.86 105.19 112.97 1ngz n GLY 30 Ca 0.13 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1ngz n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngz n THR 31 N 0.00 1.39 -1.51 2.61 -2.24 -1.26 -0.78 114.28 112.50 1ngz n THR 31 Ca 0.00 -1.61 -0.40 0.00 -2.27 0.00 0.00 64.05 59.77 1ngz n THR 31 Cb 0.00 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1ngz n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ngz n ALA 32 N -0.98 6.72 -2.57 6.98 0.00 -0.78 -1.81 120.51 128.08 1ngz n ALA 32 Ca 0.09 -3.69 -0.22 0.00 0.00 0.00 0.00 53.44 49.62 1ngz n ALA 32 Cb 0.51 -3.43 -0.15 0.00 0.00 0.00 0.00 19.45 16.38 1ngz n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngz s VAL 33 N 2.51 1.18 0.12 0.00 1.01 -1.26 -1.46 120.40 122.50 1ngz s VAL 33 Ca 0.60 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1ngz s VAL 33 Cb 0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1ngz s VAL 33 CO -0.07 0.24 -0.15 0.00 0.00 0.00 0.00 175.10 175.12 1ngz s ALA 34 N -0.49 1.54 -0.00 5.51 0.00 -0.33 -0.51 121.76 127.47 1ngz s ALA 34 Ca 0.05 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.80 1ngz s ALA 34 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1ngz s ALA 34 CO 0.00 0.15 -0.19 -1.58 0.00 0.00 0.00 175.76 174.15 1ngz s TRP 35 N -1.90 1.68 0.11 0.00 0.52 0.05 -0.99 118.94 118.40 1ngz s TRP 35 Ca 0.08 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1ngz s TRP 35 Cb -0.06 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 1ngz s TRP 35 CO 0.03 -0.01 -0.12 0.71 0.02 0.00 0.00 176.95 177.59 1ngz s TYR 36 N -0.51 1.20 -0.04 -1.98 1.51 -0.08 -0.80 117.35 116.65 1ngz s TYR 36 Ca 0.07 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 1ngz s TYR 36 Cb -0.07 -0.64 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 1ngz s TYR 36 CO -0.00 0.06 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.20 1ngz s GLN 37 N -2.80 2.45 -0.08 -0.62 0.74 -0.11 -1.64 119.66 117.60 1ngz s GLN 37 Ca 0.07 -0.72 -0.03 0.00 0.05 0.00 0.00 55.36 54.73 1ngz s GLN 37 Cb -0.03 -2.34 0.04 0.00 1.10 0.00 0.00 33.01 31.78 1ngz s GLN 37 CO 0.01 0.62 0.17 -1.14 -0.55 0.00 0.00 175.29 174.40 1ngz s GLN 38 N -0.73 0.12 0.15 1.67 0.74 0.59 -0.47 119.66 121.72 1ngz s GLN 38 Ca 0.11 0.42 0.06 0.00 0.05 0.00 0.00 55.36 56.00 1ngz s GLN 38 Cb -0.11 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.80 1ngz s GLN 38 CO 0.00 -0.17 0.05 0.15 -0.55 0.00 0.00 175.29 174.78 1ngz s LYS 39 N 1.25 2.64 0.09 1.67 1.02 -1.26 -0.84 119.74 124.31 1ngz s LYS 39 Ca -0.09 -0.94 -0.36 0.00 0.02 0.00 0.00 55.97 54.60 1ngz s LYS 39 Cb -0.11 -2.52 -0.17 0.00 -0.52 0.00 0.00 37.83 34.51 1ngz s LYS 39 CO -0.07 0.49 1.32 -2.30 -0.92 0.00 0.00 175.35 173.88 1ngz n PRO 40 N -0.01 1.14 -0.95 -1.68 -0.02 -1.26 -1.38 135.00 130.83 1ngz n PRO 40 Ca -0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1ngz n PRO 40 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1ngz n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ngz n GLY 41 N 2.46 0.83 3.53 -1.23 0.00 -1.26 -5.01 105.19 104.52 1ngz n GLY 41 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1ngz n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ngz s GLN 42 N -0.13 1.81 0.58 1.61 -0.21 -0.48 -5.14 119.66 117.71 1ngz s GLN 42 Ca 0.00 -1.83 -0.09 0.00 0.02 0.00 0.00 55.36 53.46 1ngz s GLN 42 Cb 0.00 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 1ngz s GLN 42 CO 0.00 0.22 0.94 -1.54 -2.12 0.00 0.00 175.29 172.80 1ngz s SER 43 N -3.58 6.07 0.73 5.90 1.04 -1.26 -4.59 113.70 118.00 1ngz s SER 43 Ca 0.32 1.14 -0.14 0.00 0.48 0.00 0.00 55.95 57.74 1ngz s SER 43 Cb -0.01 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.91 1ngz s SER 43 CO 0.16 -0.86 1.16 -2.84 0.98 0.00 0.00 173.24 171.85 1ngz s PRO 44 N -5.04 2.25 -0.02 4.02 0.02 -1.26 -4.66 135.00 130.30 1ngz s PRO 44 Ca 0.53 1.59 0.05 0.00 0.02 0.00 0.00 61.00 63.19 1ngz s PRO 44 Cb -0.11 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1ngz s PRO 44 CO 0.50 -1.71 -0.18 0.15 -0.33 0.00 0.00 177.00 175.42 1ngz s LYS 45 N -4.09 1.63 0.05 5.54 1.02 0.38 -4.95 119.74 119.33 1ngz s LYS 45 Ca 0.70 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 1ngz s LYS 45 Cb -0.25 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1ngz s LYS 45 CO 0.46 0.35 1.07 -1.17 -0.92 0.00 0.00 175.35 175.14 1ngz s LEU 46 N -0.28 4.40 -0.13 3.17 2.96 -1.26 -0.94 118.68 126.60 1ngz s LEU 46 Ca 0.03 1.85 -0.09 0.00 -0.22 0.00 0.00 54.13 55.71 1ngz s LEU 46 Cb -0.09 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 1ngz s LEU 46 CO 0.00 -0.31 -0.20 0.18 -1.32 0.00 0.00 176.35 174.70 1ngz n LEU 47 N 3.63 1.24 -4.01 -0.68 4.77 0.02 -4.77 117.00 117.20 1ngz n LEU 47 Ca 0.06 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1ngz n LEU 47 Cb 0.49 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1ngz n LEU 47 CO 0.53 0.09 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.65 1ngz s ILE 48 N -2.35 0.46 0.14 -0.08 -1.09 -1.08 -1.00 121.20 116.21 1ngz s ILE 48 Ca -0.20 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1ngz s ILE 48 Cb 0.07 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.43 1ngz s ILE 48 CO 0.27 -0.16 0.02 -0.72 -1.23 0.00 0.00 174.94 173.12 1ngz s TYR 49 N -0.80 1.00 -1.52 3.97 1.13 -0.24 -0.77 117.35 120.12 1ngz s TYR 49 Ca -0.05 -1.11 -0.02 0.00 -1.41 0.00 0.00 57.07 54.48 1ngz s TYR 49 Cb -0.06 -0.58 0.01 0.00 -1.10 0.00 0.00 41.96 40.23 1ngz s TYR 49 CO 0.00 -0.35 0.24 0.43 -2.51 0.00 0.00 175.55 173.36 1ngz n SER 50 N -0.15 -5.35 0.00 -0.18 7.64 -0.75 -0.86 113.62 113.98 1ngz n SER 50 Ca -0.07 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ngz n SER 50 Cb 0.63 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 1ngz n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ngz n ALA 51 N -2.70 0.00 -0.80 -0.43 0.00 0.33 -4.14 120.51 112.77 1ngz n ALA 51 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ngz n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1ngz n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngz n SER 52 N 0.79 0.26 -4.57 0.00 3.41 -1.18 -2.78 113.62 109.55 1ngz n SER 52 Ca 0.00 -1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 57.12 1ngz n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1ngz n SER 52 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ngz s ASN 53 N -0.07 6.47 -0.04 4.04 3.84 -0.04 -4.60 114.94 124.55 1ngz s ASN 53 Ca 0.00 0.14 -0.30 0.00 0.21 0.00 0.00 52.86 52.91 1ngz s ASN 53 Cb 0.00 -2.37 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 1ngz s ASN 53 CO 0.00 -0.74 1.22 -0.60 -2.79 0.00 0.00 177.10 174.19 1ngz s ARG 54 N 3.02 4.35 0.62 0.43 3.52 -1.26 -1.08 118.95 128.56 1ngz s ARG 54 Ca 0.29 1.72 -0.18 0.00 -0.13 0.00 0.00 55.73 57.42 1ngz s ARG 54 Cb -0.13 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1ngz s ARG 54 CO 0.18 -0.44 1.19 -0.47 -0.81 0.00 0.00 175.30 174.95 1ngz s TYR 55 N 2.10 2.38 0.40 5.12 5.04 -0.17 -4.94 117.35 127.28 1ngz s TYR 55 Ca 0.57 1.53 -0.26 0.00 -2.44 0.00 0.00 57.07 56.48 1ngz s TYR 55 Cb -0.26 -3.43 -0.10 0.00 0.35 0.00 0.00 41.96 38.51 1ngz s TYR 55 CO 0.23 -2.18 1.25 -2.37 -1.34 0.00 0.00 175.55 171.15 1ngz n THR 56 N -1.85 2.44 -0.07 4.34 5.66 -1.26 -2.30 114.28 121.23 1ngz n THR 56 Ca 0.13 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1ngz n THR 56 Cb 0.50 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 1ngz n THR 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ngz n GLY 57 N 0.83 2.62 3.75 1.09 0.00 -1.26 -5.01 105.19 107.20 1ngz n GLY 57 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1ngz n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngz s VAL 58 N -2.99 4.71 0.34 1.61 1.01 -0.97 -5.02 120.40 119.09 1ngz s VAL 58 Ca 0.00 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 1ngz s VAL 58 Cb 0.00 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 1ngz s VAL 58 CO 0.00 0.37 1.35 -2.65 0.00 0.00 0.00 175.10 174.18 1ngz n PRO 59 N 2.73 2.27 0.00 2.72 -0.02 -1.26 -4.84 135.00 136.59 1ngz n PRO 59 Ca -0.03 0.80 0.03 0.00 -2.02 0.00 0.00 63.50 62.28 1ngz n PRO 59 Cb 0.50 -2.42 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 1ngz n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ngz n ASP 60 N 0.81 0.00 0.19 2.55 5.75 -1.26 -1.66 116.55 122.92 1ngz n ASP 60 Ca 0.04 0.21 0.14 0.00 -0.01 0.00 0.00 54.79 55.18 1ngz n ASP 60 Cb 0.36 -0.30 0.56 0.00 -1.03 0.00 0.00 41.12 40.71 1ngz n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1ngz h ARG 61 N 0.00 0.00 -5.36 0.11 3.08 -1.88 -3.42 114.38 106.91 1ngz h ARG 61 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ngz h ARG 61 Cb 0.07 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.00 1ngz h ARG 61 CO 0.00 0.00 -0.29 -0.06 -1.07 0.00 0.00 179.97 178.55 1ngz s PHE 62 N -3.45 3.38 -0.01 3.04 0.08 -0.67 -0.93 117.98 119.42 1ngz s PHE 62 Ca 0.03 0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.61 1ngz s PHE 62 Cb 0.09 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1ngz s PHE 62 CO 0.46 0.05 -0.03 0.99 -0.10 0.00 0.00 175.22 176.59 1ngz s THR 63 N 1.09 0.27 0.08 0.64 2.01 -0.24 -4.94 115.64 114.56 1ngz s THR 63 Ca 0.16 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1ngz s THR 63 Cb -0.14 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1ngz s THR 63 CO 0.06 0.09 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.05 1ngz s GLY 64 N 0.05 1.60 0.22 4.40 0.00 -1.26 -0.01 107.32 112.33 1ngz s GLY 64 Ca -0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 44.72 43.34 1ngz s GLY 64 CO -0.00 -1.23 0.35 -1.35 0.00 0.00 0.00 173.10 170.87 1ngz s SER 65 N -1.76 -0.01 0.00 1.64 1.04 -0.31 -4.17 113.70 110.13 1ngz s SER 65 Ca 0.16 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1ngz s SER 65 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ngz s SER 65 CO 0.07 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1ngz n GLY 66 N -0.32 3.29 3.64 7.32 0.00 -1.26 -1.14 105.19 116.72 1ngz n GLY 66 Ca -0.02 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1ngz n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ngz s SER 67 N 0.00 -1.06 0.00 1.61 0.15 -1.24 -4.87 113.70 108.29 1ngz s SER 67 Ca 0.00 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1ngz s SER 67 Cb 0.00 1.93 0.00 0.00 -1.71 0.00 0.00 66.02 66.24 1ngz s SER 67 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1ngz n GLY 68 N 4.98 1.19 0.00 9.45 0.00 0.04 -4.54 105.19 116.31 1ngz n GLY 68 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1ngz n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngz n THR 69 N 0.00 0.00 -3.75 2.61 -2.24 -1.26 -0.69 114.28 108.94 1ngz n THR 69 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1ngz n THR 69 Cb 0.00 -0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 67.99 1ngz n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ngz s ASP 70 N -1.74 5.12 0.07 3.42 -0.00 -1.26 -0.32 116.67 121.96 1ngz s ASP 70 Ca 0.00 -0.42 0.09 0.00 -0.00 0.00 0.00 52.55 52.21 1ngz s ASP 70 Cb 0.00 -1.91 -0.03 0.00 -0.00 0.00 0.00 42.92 40.98 1ngz s ASP 70 CO 0.00 -0.11 -0.24 -0.36 -0.00 0.00 0.00 175.17 174.46 1ngz s PHE 71 N 1.57 2.08 -0.03 4.23 0.40 0.16 -3.69 117.98 122.70 1ngz s PHE 71 Ca 0.05 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1ngz s PHE 71 Cb -0.16 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1ngz s PHE 71 CO 0.03 0.17 -0.09 0.99 0.70 0.00 0.00 175.22 177.03 1ngz s THR 72 N -0.91 0.77 -0.21 0.64 2.01 -0.29 -1.07 115.64 116.58 1ngz s THR 72 Ca 0.10 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1ngz s THR 72 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1ngz s THR 72 CO 0.03 0.25 0.00 -0.22 -0.69 0.00 0.00 174.62 173.99 1ngz s LEU 73 N 0.28 3.24 -0.12 4.42 2.96 0.01 -1.17 118.68 128.31 1ngz s LEU 73 Ca -0.04 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1ngz s LEU 73 Cb -0.09 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1ngz s LEU 73 CO 0.01 0.04 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.99 1ngz s THR 74 N 1.13 2.40 -0.24 3.68 2.01 0.99 -0.86 115.64 124.76 1ngz s THR 74 Ca 0.03 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1ngz s THR 74 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1ngz s THR 74 CO 0.01 0.54 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.81 1ngz s ILE 75 N 0.51 3.13 0.20 1.82 1.01 0.77 -1.08 121.20 127.57 1ngz s ILE 75 Ca -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1ngz s ILE 75 Cb -0.17 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1ngz s ILE 75 CO 0.05 0.27 0.36 -0.44 0.00 0.00 0.00 174.94 175.18 1ngz s SER 76 N 1.39 6.34 -1.26 3.58 0.01 -0.11 0.03 113.70 123.70 1ngz s SER 76 Ca 0.03 0.23 -0.23 0.00 1.31 0.00 0.00 55.95 57.29 1ngz s SER 76 Cb -0.16 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1ngz s SER 76 CO -0.04 -0.04 0.60 -3.20 0.41 0.00 0.00 173.24 170.98 1ngz n ASN 77 N -0.92 -3.42 -4.50 2.44 5.15 -1.09 -4.77 115.26 108.16 1ngz n ASN 77 Ca -0.07 -1.18 -0.53 0.00 -0.60 0.00 0.00 54.58 52.20 1ngz n ASN 77 Cb 0.55 -2.32 -0.06 0.00 -0.53 0.00 0.00 39.78 37.42 1ngz n ASN 77 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1ngz n MET 78 N -4.68 0.38 -4.39 1.20 0.00 0.55 -4.41 117.12 105.78 1ngz n MET 78 Ca -0.15 0.14 -0.25 0.00 -0.00 0.00 0.00 57.70 57.43 1ngz n MET 78 Cb 0.60 -1.53 -0.12 0.00 0.00 0.00 0.00 33.22 32.18 1ngz n MET 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ngz s GLN 79 N -0.30 1.42 0.46 2.12 -1.52 -1.26 -0.37 119.66 120.21 1ngz s GLN 79 Ca 0.80 -1.48 0.20 0.00 -1.95 0.00 0.00 55.36 52.92 1ngz s GLN 79 Cb -1.06 -1.64 1.18 0.00 -0.22 0.00 0.00 33.01 31.27 1ngz s GLN 79 CO 0.55 0.35 1.94 0.66 -0.25 0.00 0.00 175.29 178.54 1ngz h SER 80 N 3.23 0.25 0.32 5.90 4.64 -1.98 0.16 113.55 126.07 1ngz h SER 80 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1ngz h SER 80 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ngz h SER 80 CO 0.49 0.13 0.00 -1.84 -0.87 0.00 0.00 176.83 174.74 1ngz n GLU 81 N -4.44 0.31 0.00 4.77 0.00 -1.26 -2.25 120.64 117.77 1ngz n GLU 81 Ca 0.13 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.51 1ngz n GLU 81 Cb 0.58 -1.50 0.32 0.00 0.00 0.00 0.00 31.44 30.85 1ngz n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ngz n ASP 82 N -1.26 0.61 -4.65 -1.84 8.00 0.57 -4.82 116.55 113.17 1ngz n ASP 82 Ca 0.10 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 1ngz n ASP 82 Cb 0.14 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1ngz n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ngz s LEU 83 N -2.84 4.19 0.00 0.64 1.43 -0.96 -4.83 118.68 116.32 1ngz s LEU 83 Ca 0.16 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1ngz s LEU 83 Cb 0.18 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1ngz s LEU 83 CO 0.63 -1.09 0.00 0.00 0.23 0.00 0.00 176.35 176.12 1ngz n ALA 84 N 7.81 0.00 -2.86 4.21 0.00 -1.18 -4.96 120.51 123.53 1ngz n ALA 84 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1ngz n ALA 84 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 1ngz n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ngz s ASP 85 N -3.30 6.40 0.01 0.00 -0.00 -0.02 -1.02 116.67 118.74 1ngz s ASP 85 Ca 0.00 0.39 0.03 0.00 -0.00 0.00 0.00 52.55 52.96 1ngz s ASP 85 Cb 0.00 -2.01 -0.01 0.00 -0.00 0.00 0.00 42.92 40.89 1ngz s ASP 85 CO 0.00 0.21 -0.09 -0.31 -0.00 0.00 0.00 175.17 174.98 1ngz s TYR 86 N -1.40 0.83 0.01 4.23 2.02 0.06 -0.30 117.35 122.79 1ngz s TYR 86 Ca 0.31 -0.22 -0.15 0.00 -0.37 0.00 0.00 57.07 56.64 1ngz s TYR 86 Cb -0.13 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.94 1ngz s TYR 86 CO 0.21 -0.01 0.33 -0.59 -1.57 0.00 0.00 175.55 173.92 1ngz s PHE 87 N -0.44 -0.18 0.45 2.71 -0.12 -0.65 -0.74 117.98 119.01 1ngz s PHE 87 Ca 0.01 0.20 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 1ngz s PHE 87 Cb -0.05 0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1ngz s PHE 87 CO 0.00 -0.45 0.60 0.00 -0.05 0.00 0.00 175.22 175.33 1ngz s GLN 89 N -4.40 0.83 -0.04 0.00 0.74 -0.16 -0.81 119.66 115.81 1ngz s GLN 89 Ca 0.56 0.70 0.04 0.00 0.05 0.00 0.00 55.36 56.71 1ngz s GLN 89 Cb -0.09 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.39 1ngz s GLN 89 CO 0.34 -0.15 -0.13 1.14 -0.55 0.00 0.00 175.29 175.94 1ngz s GLN 90 N -0.09 2.49 -0.08 1.67 1.03 -0.37 -1.18 119.66 123.13 1ngz s GLN 90 Ca -0.03 -0.71 0.20 0.00 0.04 0.00 0.00 55.36 54.85 1ngz s GLN 90 Cb -0.04 -2.40 0.41 0.00 0.03 0.00 0.00 33.01 31.01 1ngz s GLN 90 CO 0.03 0.62 1.18 2.48 -2.54 0.00 0.00 175.29 177.06 1ngz n TYR 91 N 2.12 0.00 0.06 9.60 4.11 -0.53 -3.05 117.16 129.47 1ngz n TYR 91 Ca -0.17 -0.84 -0.14 0.00 -0.00 0.00 0.00 57.90 56.75 1ngz n TYR 91 Cb 0.52 -0.18 -0.04 0.00 -0.00 0.00 0.00 39.34 39.64 1ngz n TYR 91 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1ngz h SER 92 N 0.94 0.55 -4.99 9.48 0.87 -1.84 -3.46 113.55 115.11 1ngz h SER 92 Ca -0.14 -0.44 -0.16 0.00 -1.23 0.00 0.00 61.79 59.82 1ngz h SER 92 Cb 1.55 -0.17 -0.21 0.00 -0.44 0.00 0.00 62.40 63.13 1ngz h SER 92 CO 0.06 1.23 -0.66 -0.55 -0.53 0.00 0.00 176.83 176.38 1ngz s SER 93 N -7.08 0.21 0.07 6.23 0.15 -1.26 -5.12 113.70 106.89 1ngz s SER 93 Ca -0.06 -0.47 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 1ngz s SER 93 Cb 0.09 0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1ngz s SER 93 CO 0.87 -0.32 0.37 -0.31 1.20 0.00 0.00 173.24 175.05 1ngz s TYR 94 N -1.54 3.57 0.39 3.44 2.02 -1.26 -3.55 117.35 120.41 1ngz s TYR 94 Ca -0.15 0.73 -0.25 0.00 -0.37 0.00 0.00 57.07 57.03 1ngz s TYR 94 Cb -0.09 -2.11 -0.09 0.00 -0.40 0.00 0.00 41.96 39.27 1ngz s TYR 94 CO -0.01 0.53 1.14 -1.25 -1.57 0.00 0.00 175.55 174.40 1ngz s PRO 95 N -1.93 4.14 0.57 -1.71 0.04 -1.26 -4.84 135.00 130.01 1ngz s PRO 95 Ca 0.32 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 1ngz s PRO 95 Cb -0.14 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1ngz s PRO 95 CO 0.18 -0.23 1.27 -0.51 0.04 0.00 0.00 177.00 177.75 1ngz s LEU 96 N -2.40 3.75 0.06 -3.56 1.43 -1.23 -4.72 118.68 112.00 1ngz s LEU 96 Ca 0.56 2.55 0.02 0.00 -1.03 0.00 0.00 54.13 56.23 1ngz s LEU 96 Cb -0.29 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.44 1ngz s LEU 96 CO 0.37 -1.59 -0.08 0.42 0.23 0.00 0.00 176.35 175.70 1ngz s THR 97 N -1.45 0.59 0.17 5.49 -4.23 -1.17 -5.02 115.64 110.02 1ngz s THR 97 Ca 0.75 -1.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.04 1ngz s THR 97 Cb -0.35 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1ngz s THR 97 CO 0.39 -0.51 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.38 1ngz s PHE 98 N -2.00 2.08 0.81 3.99 0.08 -1.26 -1.24 117.98 120.44 1ngz s PHE 98 Ca -0.04 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.49 1ngz s PHE 98 Cb -0.06 -1.05 0.08 0.00 -0.57 0.00 0.00 43.02 41.42 1ngz s PHE 98 CO -0.01 0.40 1.09 0.20 -0.10 0.00 0.00 175.22 176.80 1ngz s GLY 99 N -2.57 1.64 0.05 4.36 0.00 0.01 -4.55 107.32 106.26 1ngz s GLY 99 Ca 0.17 -0.05 0.19 0.00 0.00 0.00 0.00 44.72 45.03 1ngz s GLY 99 CO 0.08 0.36 1.61 0.61 0.00 0.00 0.00 173.10 175.76 1ngz n GLY 100 N -1.68 -1.18 0.00 0.20 0.00 -1.26 -4.68 105.19 96.59 1ngz n GLY 100 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ngz n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngz n GLY 101 N 0.37 1.54 2.72 -0.02 0.00 -1.26 -5.05 105.19 103.49 1ngz n GLY 101 Ca 0.04 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 1ngz n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngz s THR 102 N -2.89 -0.11 -0.20 2.61 2.01 0.08 -4.46 115.64 112.68 1ngz s THR 102 Ca 0.00 0.36 -0.13 0.00 0.31 0.00 0.00 61.69 62.23 1ngz s THR 102 Cb 0.00 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1ngz s THR 102 CO 0.00 0.15 0.29 -0.75 -0.69 0.00 0.00 174.62 173.62 1ngz s LYS 103 N 1.88 4.18 -0.28 4.92 2.20 -0.34 -0.76 119.74 131.53 1ngz s LYS 103 Ca 0.01 0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 55.56 1ngz s LYS 103 Cb -0.12 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1ngz s LYS 103 CO -0.03 0.10 0.10 0.08 -0.36 0.00 0.00 175.35 175.24 1ngz s VAL 104 N 0.90 4.32 0.39 4.02 1.01 -0.19 -1.20 120.40 129.66 1ngz s VAL 104 Ca 0.15 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1ngz s VAL 104 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1ngz s VAL 104 CO 0.05 0.18 0.28 -1.83 0.00 0.00 0.00 175.10 173.78 1ngz s GLU 105 N 1.59 2.46 -0.10 2.72 -1.05 0.11 -3.08 118.70 121.34 1ngz s GLU 105 Ca 0.05 -1.58 -0.10 0.00 -0.15 0.00 0.00 54.97 53.19 1ngz s GLU 105 Cb -0.16 -2.26 -0.05 0.00 -0.44 0.00 0.00 34.13 31.22 1ngz s GLU 105 CO 0.04 -0.09 0.21 -1.50 0.95 0.00 0.00 175.26 174.87 1ngz s ILE 106 N -2.48 5.38 0.36 1.83 1.10 -1.26 -1.54 121.20 124.59 1ngz s ILE 106 Ca 0.44 0.38 -0.14 0.00 -0.51 0.00 0.00 60.65 60.82 1ngz s ILE 106 Cb -0.02 -3.50 -0.08 0.00 0.15 0.00 0.00 42.46 39.02 1ngz s ILE 106 CO 0.26 0.58 0.76 -0.75 -2.11 0.00 0.00 174.94 173.67 1ngz s LYS 107 N -0.81 3.93 0.26 3.50 2.20 0.57 -4.78 119.74 124.60 1ngz s LYS 107 Ca 0.17 0.61 -0.16 0.00 -0.36 0.00 0.00 55.97 56.23 1ngz s LYS 107 Cb -0.13 -2.40 0.01 0.00 -1.51 0.00 0.00 37.83 33.79 1ngz s LYS 107 CO 0.06 0.08 0.58 -0.98 -0.36 0.00 0.00 175.35 174.72 1ngz s ARG 108 N -3.32 1.66 0.47 4.03 1.70 -1.26 -4.88 118.95 117.35 1ngz s ARG 108 Ca 0.53 -1.15 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 1ngz s ARG 108 Cb -0.10 0.53 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 1ngz s ARG 108 CO 0.22 -0.72 1.42 0.99 -1.08 0.00 0.00 175.30 176.14 1ngz s THR 109 N -3.96 2.02 0.33 4.99 2.01 -1.26 -4.91 115.64 114.87 1ngz s THR 109 Ca 0.18 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1ngz s THR 109 Cb -0.03 -3.01 -0.12 0.00 0.01 0.00 0.00 72.50 69.35 1ngz s THR 109 CO 0.08 0.00 1.46 0.52 -0.69 0.00 0.00 174.62 176.00 1ngz n VAL 110 N -0.39 1.62 -3.81 3.82 0.31 -1.26 -4.81 118.33 113.81 1ngz n VAL 110 Ca 0.06 -0.41 -0.22 0.00 -0.01 0.00 0.00 64.34 63.76 1ngz n VAL 110 Cb 0.42 -1.83 -0.17 0.00 -0.91 0.00 0.00 33.84 31.35 1ngz n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ngz s ALA 111 N -0.70 0.66 0.45 3.52 0.00 0.46 -4.93 121.76 121.22 1ngz s ALA 111 Ca 0.58 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 1ngz s ALA 111 Cb -0.52 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 1ngz s ALA 111 CO 0.58 -0.40 1.10 0.00 0.00 0.00 0.00 175.76 177.04 1ngz s ALA 112 N 1.84 2.97 0.45 0.00 0.00 -1.26 -0.89 121.76 124.86 1ngz s ALA 112 Ca 0.03 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1ngz s ALA 112 Cb -0.12 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1ngz s ALA 112 CO -0.05 -0.46 1.01 -1.25 0.00 0.00 0.00 175.76 175.02 1ngz s PRO 113 N -2.77 3.99 -0.22 0.00 0.04 -1.26 -4.60 135.00 130.17 1ngz s PRO 113 Ca 0.63 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 1ngz s PRO 113 Cb -0.24 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1ngz s PRO 113 CO 0.29 -0.26 0.26 -1.12 0.04 0.00 0.00 177.00 176.21 1ngz s SER 114 N -1.97 6.25 -0.10 6.66 0.01 -0.92 -4.85 113.70 118.79 1ngz s SER 114 Ca 0.64 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 58.15 1ngz s SER 114 Cb -0.15 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1ngz s SER 114 CO 0.19 0.01 0.02 -0.69 0.41 0.00 0.00 173.24 173.17 1ngz s VAL 115 N 1.16 4.42 -0.01 3.43 1.01 -1.26 -0.70 120.40 128.46 1ngz s VAL 115 Ca 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ngz s VAL 115 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ngz s VAL 115 CO 0.06 0.58 -0.04 -0.36 0.00 0.00 0.00 175.10 175.34 1ngz s PHE 116 N -0.67 0.42 -0.04 5.22 0.40 -0.39 -4.98 117.98 117.93 1ngz s PHE 116 Ca 0.11 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1ngz s PHE 116 Cb -0.12 -0.31 -0.02 0.00 0.51 0.00 0.00 43.02 43.08 1ngz s PHE 116 CO 0.02 -0.03 -0.19 -1.50 0.70 0.00 0.00 175.22 174.22 1ngz s ILE 117 N 0.10 2.64 -0.13 0.64 2.07 -1.26 -0.19 121.20 125.07 1ngz s ILE 117 Ca -0.01 -0.88 0.02 0.00 -1.41 0.00 0.00 60.65 58.37 1ngz s ILE 117 Cb -0.04 -2.00 0.02 0.00 0.13 0.00 0.00 42.46 40.57 1ngz s ILE 117 CO -0.00 0.58 -0.17 -0.36 -1.91 0.00 0.00 174.94 173.08 1ngz s PHE 118 N -0.60 2.28 0.78 3.50 0.40 0.97 -5.01 117.98 120.29 1ngz s PHE 118 Ca 0.09 -1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.13 1ngz s PHE 118 Cb -0.11 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 41.86 1ngz s PHE 118 CO 0.00 -0.59 1.09 -2.14 0.70 0.00 0.00 175.22 174.29 1ngz s PRO 119 N 1.09 2.26 0.53 0.24 0.02 -1.26 -1.78 135.00 136.10 1ngz s PRO 119 Ca -0.03 0.66 -0.20 0.00 0.02 0.00 0.00 61.00 61.45 1ngz s PRO 119 Cb -0.14 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 1ngz s PRO 119 CO -0.05 -1.50 1.12 -1.25 -0.33 0.00 0.00 177.00 174.99 1ngz s PRO 120 N -5.16 3.46 0.46 5.54 0.04 -1.22 -4.83 135.00 133.29 1ngz s PRO 120 Ca 0.60 1.59 -0.20 0.00 0.04 0.00 0.00 61.00 63.04 1ngz s PRO 120 Cb -0.14 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1ngz s PRO 120 CO 0.54 -0.76 0.98 -1.54 0.04 0.00 0.00 177.00 176.26 1ngz s SER 121 N -1.76 6.71 0.45 6.66 1.04 -1.26 -4.94 113.70 120.60 1ngz s SER 121 Ca 0.71 1.73 0.15 0.00 0.48 0.00 0.00 55.95 59.01 1ngz s SER 121 Cb -0.23 -2.54 1.03 0.00 0.10 0.00 0.00 66.02 64.38 1ngz s SER 121 CO 0.27 -0.52 2.00 0.44 0.98 0.00 0.00 173.24 176.41 1ngz h ASP 122 N 1.60 0.00 -0.57 7.02 3.32 -2.00 -2.00 116.42 123.79 1ngz h ASP 122 Ca -0.49 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1ngz h ASP 122 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1ngz h ASP 122 CO 0.60 0.17 0.31 -0.08 -1.72 0.00 0.00 179.24 178.52 1ngz h GLU 123 N 0.00 0.80 -0.40 3.56 4.81 -2.01 -2.86 114.58 118.49 1ngz h GLU 123 Ca -0.00 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 1ngz h GLU 123 Cb 0.30 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1ngz h GLU 123 CO 0.02 0.62 -0.35 0.37 -0.73 0.00 0.00 179.01 178.94 1ngz h GLN 124 N 0.77 0.92 -0.39 1.92 4.15 -1.72 -3.03 115.11 117.73 1ngz h GLN 124 Ca 0.20 -0.46 0.11 0.00 0.77 0.00 0.00 58.65 59.27 1ngz h GLN 124 Cb 0.06 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1ngz h GLN 124 CO -0.03 1.12 0.40 -0.07 -1.93 0.00 0.00 178.83 178.32 1ngz h LEU 125 N 0.76 0.00 -0.65 -2.39 3.38 -1.19 0.52 115.31 115.74 1ngz h LEU 125 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ngz h LEU 125 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ngz h LEU 125 CO 0.09 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.91 1ngz n LYS 126 N -3.79 0.13 0.00 1.13 5.02 -1.14 -1.84 118.16 117.66 1ngz n LYS 126 Ca 0.07 0.44 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1ngz n LYS 126 Cb 0.57 -1.79 0.25 0.00 -0.02 0.00 0.00 35.03 34.05 1ngz n LYS 126 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ngz n SER 127 N -2.04 0.72 0.00 4.39 2.88 0.18 -4.94 113.62 114.81 1ngz n SER 127 Ca 0.01 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 1ngz n SER 127 Cb 0.16 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1ngz n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ngz n GLY 128 N 1.45 0.74 3.36 0.46 0.00 -0.77 -5.05 105.19 105.39 1ngz n GLY 128 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ngz n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngz s THR 129 N -2.70 2.07 -0.14 2.61 2.01 -1.26 -1.17 115.64 117.06 1ngz s THR 129 Ca 0.00 -1.80 -0.01 0.00 0.31 0.00 0.00 61.69 60.19 1ngz s THR 129 Cb 0.00 -1.89 0.04 0.00 0.01 0.00 0.00 72.50 70.66 1ngz s THR 129 CO 0.00 -0.07 -0.02 0.00 -0.69 0.00 0.00 174.62 173.84 1ngz s ALA 130 N -1.41 1.17 -0.25 7.40 0.00 0.69 -3.78 121.76 125.59 1ngz s ALA 130 Ca 0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1ngz s ALA 130 Cb -0.09 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1ngz s ALA 130 CO 0.07 -0.76 0.10 -1.12 0.00 0.00 0.00 175.76 174.05 1ngz s SER 131 N 1.77 5.46 -0.16 0.00 0.01 -1.26 -1.03 113.70 118.50 1ngz s SER 131 Ca 0.02 -0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1ngz s SER 131 Cb -0.15 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 1ngz s SER 131 CO -0.07 -0.00 -0.02 -0.69 0.41 0.00 0.00 173.24 172.87 1ngz s VAL 132 N 1.42 4.10 -0.02 3.43 1.01 -0.10 -3.37 120.40 126.87 1ngz s VAL 132 Ca 0.06 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1ngz s VAL 132 Cb -0.15 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ngz s VAL 132 CO 0.05 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 1ngz s VAL 133 N 0.29 2.52 -0.11 2.92 1.01 -0.73 0.09 120.40 126.38 1ngz s VAL 133 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1ngz s VAL 133 Cb -0.14 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1ngz s VAL 133 CO 0.02 0.56 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1ngz s LEU 135 N 0.71 3.15 -0.30 0.00 2.96 0.74 -1.13 118.68 124.82 1ngz s LEU 135 Ca -0.11 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1ngz s LEU 135 Cb -0.16 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.82 1ngz s LEU 135 CO 0.02 0.17 0.01 -0.76 -1.32 0.00 0.00 176.35 174.47 1ngz s LEU 136 N 0.34 3.83 -0.13 -0.68 1.02 -0.05 -1.26 118.68 121.75 1ngz s LEU 136 Ca -0.05 -1.16 -0.04 0.00 0.02 0.00 0.00 54.13 52.89 1ngz s LEU 136 Cb -0.14 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1ngz s LEU 136 CO 0.03 -0.24 0.02 0.21 0.02 0.00 0.00 176.35 176.40 1ngz s ASN 137 N 1.30 5.37 -0.83 2.29 2.47 0.12 -0.83 114.94 124.83 1ngz s ASN 137 Ca -0.04 0.10 -0.01 0.00 0.42 0.00 0.00 52.86 53.33 1ngz s ASN 137 Cb -0.19 -1.73 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1ngz s ASN 137 CO -0.01 0.28 0.62 0.59 -3.72 0.00 0.00 177.10 174.86 1ngz n ASN 138 N 2.80 -5.14 -4.49 -4.21 3.02 -1.00 -2.16 115.26 104.09 1ngz n ASN 138 Ca -0.18 -0.89 -0.24 0.00 -0.03 0.00 0.00 54.58 53.25 1ngz n ASN 138 Cb 0.53 -2.06 -0.10 0.00 -0.61 0.00 0.00 39.78 37.53 1ngz n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ngz s PHE 139 N -3.01 2.19 -0.26 3.10 -0.71 0.58 -4.65 117.98 115.21 1ngz s PHE 139 Ca 0.02 -0.57 -0.21 0.00 -1.04 0.00 0.00 56.93 55.12 1ngz s PHE 139 Cb -0.01 -1.23 0.07 0.00 -1.21 0.00 0.00 43.02 40.64 1ngz s PHE 139 CO 0.88 0.46 0.68 -0.47 -1.34 0.00 0.00 175.22 175.43 1ngz s TYR 140 N -2.78 -0.85 1.20 3.49 5.04 -0.07 -0.49 117.35 122.90 1ngz s TYR 140 Ca 0.31 1.92 -0.19 0.00 -2.44 0.00 0.00 57.07 56.67 1ngz s TYR 140 Cb 0.02 0.37 0.29 0.00 0.35 0.00 0.00 41.96 42.99 1ngz s TYR 140 CO 0.14 -0.41 1.11 -1.25 -1.34 0.00 0.00 175.55 173.80 1ngz s PRO 141 N 0.78 -1.23 0.41 4.97 0.04 -1.26 -0.41 135.00 138.29 1ngz s PRO 141 Ca -0.03 -0.08 0.10 0.00 0.04 0.00 0.00 61.00 61.03 1ngz s PRO 141 Cb -0.05 -1.60 0.86 0.00 0.04 0.00 0.00 34.50 33.75 1ngz s PRO 141 CO -0.06 -3.72 1.96 -0.09 0.04 0.00 0.00 177.00 175.14 1ngz h ARG 142 N -2.58 0.23 -6.55 4.56 2.43 -1.98 -3.44 114.38 107.05 1ngz h ARG 142 Ca -0.45 -0.04 -0.52 0.00 -0.81 0.00 0.00 59.98 58.16 1ngz h ARG 142 Cb 1.29 -0.04 0.04 0.00 -0.42 0.00 0.00 29.97 30.85 1ngz h ARG 142 CO 0.34 0.32 1.06 -1.21 -1.51 0.00 0.00 179.97 178.97 1ngz s GLU 143 N -4.84 4.14 -0.02 0.20 8.01 -1.26 -4.98 118.70 119.95 1ngz s GLU 143 Ca -0.06 2.56 -0.25 0.00 0.01 0.00 0.00 54.97 57.23 1ngz s GLU 143 Cb 0.16 -3.43 0.05 0.00 -4.31 0.00 0.00 34.13 26.60 1ngz s GLU 143 CO 0.72 -0.80 0.55 0.00 0.01 0.00 0.00 175.26 175.75 1ngz s ALA 144 N 2.23 -1.42 -0.11 5.21 0.00 -1.26 -4.61 121.76 121.80 1ngz s ALA 144 Ca 0.78 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1ngz s ALA 144 Cb -0.46 0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1ngz s ALA 144 CO 0.35 -0.36 -0.14 0.21 0.00 0.00 0.00 175.76 175.81 1ngz s LYS 145 N -1.43 2.11 -0.16 0.00 2.47 -0.72 -5.00 119.74 117.01 1ngz s LYS 145 Ca -0.11 -0.52 -0.01 0.00 -1.56 0.00 0.00 55.97 53.78 1ngz s LYS 145 Cb -0.02 -1.84 -0.01 0.00 -1.46 0.00 0.00 37.83 34.51 1ngz s LYS 145 CO 0.06 -0.09 -0.12 0.54 0.16 0.00 0.00 175.35 175.90 1ngz s VAL 146 N 1.08 2.93 -0.15 4.02 0.11 -1.26 -1.32 120.40 125.82 1ngz s VAL 146 Ca -0.05 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1ngz s VAL 146 Cb -0.15 -2.26 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 1ngz s VAL 146 CO -0.03 0.50 -0.19 -1.10 -3.33 0.00 0.00 175.10 170.95 1ngz s GLN 147 N 0.79 2.80 0.09 1.54 -0.21 0.24 -4.96 119.66 119.95 1ngz s GLN 147 Ca -0.05 -0.77 -0.17 0.00 0.02 0.00 0.00 55.36 54.39 1ngz s GLN 147 Cb -0.15 -2.36 -0.07 0.00 1.00 0.00 0.00 33.01 31.43 1ngz s GLN 147 CO 0.01 -0.11 0.55 -1.58 -2.12 0.00 0.00 175.29 172.04 1ngz s TRP 148 N 1.07 3.74 -0.01 0.91 0.52 -1.26 -0.54 118.94 123.38 1ngz s TRP 148 Ca -0.02 1.19 0.01 0.00 0.02 0.00 0.00 56.10 57.30 1ngz s TRP 148 Cb -0.14 -2.44 0.01 0.00 -1.15 0.00 0.00 33.47 29.74 1ngz s TRP 148 CO -0.06 0.55 -0.03 0.15 0.02 0.00 0.00 176.95 177.58 1ngz s LYS 149 N -1.35 0.32 -0.17 4.98 1.02 -0.40 -0.94 119.74 123.21 1ngz s LYS 149 Ca 0.31 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 56.24 1ngz s LYS 149 Cb -0.18 -0.37 0.03 0.00 -0.52 0.00 0.00 37.83 36.79 1ngz s LYS 149 CO 0.18 0.00 -0.12 0.08 -0.92 0.00 0.00 175.35 174.58 1ngz s VAL 150 N 0.31 1.59 -1.44 3.17 1.01 -0.42 -1.29 120.40 123.33 1ngz s VAL 150 Ca -0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1ngz s VAL 150 Cb -0.06 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1ngz s VAL 150 CO -0.01 0.30 0.67 0.47 0.00 0.00 0.00 175.10 176.53 1ngz n ASP 151 N 4.73 -5.07 0.00 3.32 10.43 0.86 -1.08 116.55 129.74 1ngz n ASP 151 Ca -0.16 -0.42 0.00 0.00 2.57 0.00 0.00 54.79 56.78 1ngz n ASP 151 Cb 0.48 -4.10 0.00 0.00 1.84 0.00 0.00 41.12 39.34 1ngz n ASP 151 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1ngz n ASN 152 N -2.52 -2.11 -4.73 -2.24 4.13 -1.26 -5.00 115.26 101.53 1ngz n ASN 152 Ca -0.04 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.83 1ngz n ASN 152 Cb 0.57 -1.48 -0.06 0.00 -1.54 0.00 0.00 39.78 37.28 1ngz n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ngz s ALA 153 N -2.12 3.44 0.14 5.41 0.00 -0.24 -5.01 121.76 123.38 1ngz s ALA 153 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 1ngz s ALA 153 Cb 0.00 -2.74 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 1ngz s ALA 153 CO 0.00 0.00 1.46 -1.17 0.00 0.00 0.00 175.76 176.05 1ngz s LEU 154 N 0.54 4.37 0.11 0.00 2.96 -1.26 -1.30 118.68 124.10 1ngz s LEU 154 Ca 0.30 2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 56.54 1ngz s LEU 154 Cb -0.16 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1ngz s LEU 154 CO 0.13 -0.72 0.46 -1.10 -1.32 0.00 0.00 176.35 173.81 1ngz s GLN 155 N 1.06 3.84 -0.07 1.98 -1.52 -0.11 -4.95 119.66 119.89 1ngz s GLN 155 Ca 0.66 0.30 -0.04 0.00 -1.95 0.00 0.00 55.36 54.34 1ngz s GLN 155 Cb -0.40 -2.97 0.03 0.00 -0.22 0.00 0.00 33.01 29.46 1ngz s GLN 155 CO 0.31 0.53 0.16 0.45 -0.25 0.00 0.00 175.29 176.49 1ngz s SER 156 N -1.74 -0.14 0.00 5.90 0.15 -1.26 -4.64 113.70 111.97 1ngz s SER 156 Ca 0.35 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1ngz s SER 156 Cb -0.14 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1ngz s SER 156 CO 0.18 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1ngz n GLY 157 N 3.97 1.75 1.22 9.45 0.00 -1.26 -4.88 105.19 115.45 1ngz n GLY 157 Ca -0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1ngz n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ngz n ASN 158 N 0.00 3.14 -4.09 1.61 6.94 -1.26 -4.98 115.26 116.62 1ngz n ASN 158 Ca 0.00 -3.50 -0.14 0.00 -0.02 0.00 0.00 54.58 50.91 1ngz n ASN 158 Cb 0.00 -0.63 -0.12 0.00 -2.36 0.00 0.00 39.78 36.67 1ngz n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1ngz s SER 159 N -2.17 1.05 -0.01 0.53 1.04 -1.26 -0.79 113.70 112.10 1ngz s SER 159 Ca 0.46 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1ngz s SER 159 Cb 0.40 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1ngz s SER 159 CO 0.04 -0.17 -0.09 -1.10 0.98 0.00 0.00 173.24 172.90 1ngz s GLN 160 N -1.61 0.78 0.22 4.02 -0.21 -0.64 -4.96 119.66 117.26 1ngz s GLN 160 Ca -0.08 -0.34 0.09 0.00 0.02 0.00 0.00 55.36 55.05 1ngz s GLN 160 Cb -0.10 -0.75 -0.05 0.00 1.00 0.00 0.00 33.01 33.12 1ngz s GLN 160 CO 0.01 0.20 -0.17 -1.83 -2.12 0.00 0.00 175.29 171.38 1ngz s GLU 161 N -0.21 1.43 0.00 2.91 -1.05 -1.26 -0.78 118.70 119.73 1ngz s GLU 161 Ca 0.03 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.26 1ngz s GLU 161 Cb -0.04 -1.39 -0.00 0.00 -0.44 0.00 0.00 34.13 32.26 1ngz s GLU 161 CO -0.00 0.25 -0.01 0.45 0.95 0.00 0.00 175.26 176.90 1ngz s SER 162 N -3.21 0.13 -0.03 0.83 0.15 -0.30 -4.99 113.70 106.28 1ngz s SER 162 Ca 0.23 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.88 1ngz s SER 162 Cb -0.03 -0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1ngz s SER 162 CO 0.09 -0.00 -0.15 -0.69 1.20 0.00 0.00 173.24 173.69 1ngz s VAL 163 N -0.10 1.23 0.79 4.45 1.01 -1.26 -1.20 120.40 125.32 1ngz s VAL 163 Ca -0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1ngz s VAL 163 Cb -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1ngz s VAL 163 CO -0.00 0.36 1.14 0.42 0.00 0.00 0.00 175.10 177.01 1ngz s THR 164 N -0.10 2.61 0.59 3.92 -4.23 -0.47 -5.00 115.64 112.95 1ngz s THR 164 Ca 0.00 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1ngz s THR 164 Cb -0.09 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1ngz s THR 164 CO 0.01 -0.26 0.98 -1.61 -0.54 0.00 0.00 174.62 173.20 1ngz s GLU 165 N -5.42 3.61 0.12 3.99 0.41 -1.26 -4.64 118.70 115.53 1ngz s GLU 165 Ca 0.61 0.67 -0.35 0.00 -0.41 0.00 0.00 54.97 55.49 1ngz s GLU 165 Cb -0.12 -2.14 -0.15 0.00 -1.78 0.00 0.00 34.13 29.94 1ngz s GLU 165 CO 0.51 -0.48 1.48 0.94 -0.49 0.00 0.00 175.26 177.22 1ngz n GLN 166 N -2.58 1.72 -1.92 1.61 7.27 -1.26 -4.80 117.38 117.42 1ngz n GLN 166 Ca 0.05 0.62 -0.42 0.00 0.07 0.00 0.00 57.00 57.33 1ngz n GLN 166 Cb 0.54 -2.34 -0.02 0.00 2.41 0.00 0.00 30.24 30.83 1ngz n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ngz s ASP 167 N 0.77 6.56 0.44 1.69 -1.08 0.14 -4.88 116.67 120.31 1ngz s ASP 167 Ca 0.81 2.73 0.11 0.00 -0.52 0.00 0.00 52.55 55.68 1ngz s ASP 167 Cb -0.80 -2.62 0.98 0.00 -1.46 0.00 0.00 42.92 39.03 1ngz s ASP 167 CO 0.42 -0.80 2.04 0.77 0.52 0.00 0.00 175.17 178.12 1ngz h SER 168 N 5.57 0.21 0.08 -0.34 4.64 -1.91 0.04 113.55 121.83 1ngz h SER 168 Ca -0.45 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.48 1ngz h SER 168 Cb 1.21 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 1ngz h SER 168 CO 0.83 0.23 -2.14 2.29 -0.87 0.00 0.00 176.83 177.17 1ngz n LYS 169 N -4.43 0.71 -0.02 4.77 2.85 -1.26 -4.65 118.16 116.13 1ngz n LYS 169 Ca -0.00 0.24 0.02 0.00 -1.05 0.00 0.00 58.31 57.52 1ngz n LYS 169 Cb 0.14 -1.64 0.03 0.00 -0.65 0.00 0.00 35.03 32.91 1ngz n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ngz n ASP 170 N -3.48 1.70 -1.70 -5.58 3.85 -1.24 -5.01 116.55 105.09 1ngz n ASP 170 Ca -0.37 -1.46 -0.21 0.00 -0.71 0.00 0.00 54.79 52.04 1ngz n ASP 170 Cb 1.01 -0.03 -0.08 0.00 -1.35 0.00 0.00 41.12 40.67 1ngz n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1ngz n SER 171 N 0.13 -5.52 -4.95 -1.12 7.64 -0.00 -4.94 113.62 104.86 1ngz n SER 171 Ca 0.03 0.45 -0.20 0.00 1.01 0.00 0.00 58.87 60.16 1ngz n SER 171 Cb 0.18 -4.84 0.05 0.00 -1.01 0.00 0.00 64.21 58.58 1ngz n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ngz s THR 172 N -2.79 2.57 0.30 0.44 -4.23 -1.26 -4.55 115.64 106.11 1ngz s THR 172 Ca 0.00 -0.84 0.10 0.00 -1.18 0.00 0.00 61.69 59.77 1ngz s THR 172 Cb 0.00 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 1ngz s THR 172 CO 0.00 0.00 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.64 1ngz s TYR 173 N -2.67 2.21 0.01 3.99 2.02 0.36 -0.69 117.35 122.58 1ngz s TYR 173 Ca 0.59 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1ngz s TYR 173 Cb -0.08 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1ngz s TYR 173 CO 0.38 0.55 0.02 -1.12 -1.57 0.00 0.00 175.55 173.81 1ngz s SER 174 N -3.52 0.13 0.02 2.29 0.01 -1.26 -0.31 113.70 111.07 1ngz s SER 174 Ca 0.30 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 1ngz s SER 174 Cb -0.00 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 1ngz s SER 174 CO 0.14 -0.26 -0.01 -1.48 0.41 0.00 0.00 173.24 172.04 1ngz s LEU 175 N -1.14 2.18 -0.05 2.44 0.05 -0.01 -1.37 118.68 120.79 1ngz s LEU 175 Ca -0.12 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 53.58 1ngz s LEU 175 Cb -0.07 0.18 -0.00 0.00 -2.05 0.00 0.00 46.19 44.24 1ngz s LEU 175 CO -0.00 -0.34 -0.18 -0.55 -0.55 0.00 0.00 176.35 174.73 1ngz s SER 176 N -1.61 2.28 -0.09 1.48 0.15 -0.34 -0.87 113.70 114.70 1ngz s SER 176 Ca -0.13 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.17 1ngz s SER 176 Cb -0.08 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 1ngz s SER 176 CO -0.02 0.16 -0.18 -0.55 1.20 0.00 0.00 173.24 173.86 1ngz s SER 177 N 0.04 2.46 -0.17 5.45 0.15 -0.28 -1.15 113.70 120.19 1ngz s SER 177 Ca -0.04 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.17 1ngz s SER 177 Cb -0.12 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1ngz s SER 177 CO 0.03 0.08 -0.15 -0.89 1.20 0.00 0.00 173.24 173.51 1ngz s THR 178 N 0.63 2.62 -0.22 6.45 2.01 0.04 -0.70 115.64 126.46 1ngz s THR 178 Ca -0.14 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 1ngz s THR 178 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1ngz s THR 178 CO 0.04 0.50 0.30 -0.22 -0.69 0.00 0.00 174.62 174.55 1ngz s LEU 179 N 1.08 4.13 -0.29 4.42 2.96 0.11 -1.61 118.68 129.47 1ngz s LEU 179 Ca -0.00 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1ngz s LEU 179 Cb -0.14 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1ngz s LEU 179 CO -0.04 -0.03 0.14 -0.89 -1.32 0.00 0.00 176.35 174.21 1ngz s THR 180 N 1.29 4.63 0.15 3.68 2.01 0.03 -0.92 115.64 126.51 1ngz s THR 180 Ca 0.14 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1ngz s THR 180 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1ngz s THR 180 CO 0.07 0.15 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.22 1ngz s LEU 181 N 1.63 2.43 0.62 4.42 1.43 -0.20 -4.90 118.68 124.12 1ngz s LEU 181 Ca 0.05 -0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 52.17 1ngz s LEU 181 Cb -0.16 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 1ngz s LEU 181 CO 0.06 -0.07 1.04 -0.94 0.23 0.00 0.00 176.35 176.67 1ngz s SER 182 N -2.61 5.87 0.20 2.29 1.04 -1.26 -0.23 113.70 119.01 1ngz s SER 182 Ca 0.14 1.62 -0.11 0.00 0.48 0.00 0.00 55.95 58.08 1ngz s SER 182 Cb -0.05 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.71 1ngz s SER 182 CO 0.05 -1.11 1.87 0.50 0.98 0.00 0.00 173.24 175.54 1ngz h LYS 183 N -0.05 0.91 -0.55 4.02 3.64 -1.42 -1.40 116.57 121.72 1ngz h LYS 183 Ca -0.45 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1ngz h LYS 183 Cb 1.20 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 1ngz h LYS 183 CO 0.59 0.60 0.29 0.00 -2.27 0.00 0.00 179.45 178.66 1ngz h ALA 184 N 1.27 0.71 -0.44 5.00 0.00 -1.92 0.44 119.26 124.32 1ngz h ALA 184 Ca 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ngz h ALA 184 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ngz h ALA 184 CO -0.07 -0.04 0.17 0.22 0.00 0.00 0.00 179.25 179.53 1ngz h ASP 185 N 0.56 0.60 -0.63 0.00 3.58 -1.83 -1.36 116.42 117.34 1ngz h ASP 185 Ca 0.24 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1ngz h ASP 185 Cb 0.13 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1ngz h ASP 185 CO -0.15 0.61 0.38 0.22 -2.88 0.00 0.00 179.24 177.41 1ngz h TYR 186 N 0.56 0.82 0.00 0.28 5.03 -0.70 -2.33 116.97 120.64 1ngz h TYR 186 Ca 0.14 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1ngz h TYR 186 Cb 0.19 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.20 1ngz h TYR 186 CO 0.00 0.56 -0.11 0.93 -1.32 0.00 0.00 178.16 178.22 1ngz h GLU 187 N 0.85 0.00 0.00 1.82 4.39 -0.71 -3.11 114.58 117.82 1ngz h GLU 187 Ca 0.22 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.73 1ngz h GLU 187 Cb -0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1ngz h GLU 187 CO -0.04 0.11 -0.92 -0.22 -1.16 0.00 0.00 179.01 176.77 1ngz h LYS 188 N 0.00 0.00 -6.21 2.33 3.64 -0.70 -3.47 116.57 112.17 1ngz h LYS 188 Ca -0.00 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 1ngz h LYS 188 Cb 0.61 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1ngz h LYS 188 CO 0.01 0.92 -0.42 -1.01 -2.27 0.00 0.00 179.45 176.68 1ngz s HIS 189 N -2.85 2.88 -0.06 1.91 3.76 -1.09 -5.09 115.29 114.76 1ngz s HIS 189 Ca 0.01 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.53 1ngz s HIS 189 Cb 0.10 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 1ngz s HIS 189 CO 0.81 0.10 -0.13 1.17 -0.85 0.00 0.00 174.74 175.84 1ngz n LYS 190 N -1.43 0.20 -3.14 1.40 3.00 -1.26 -4.73 118.16 112.19 1ngz n LYS 190 Ca -0.00 0.09 -0.41 0.00 -0.00 0.00 0.00 58.31 57.98 1ngz n LYS 190 Cb 0.60 -0.84 -0.07 0.00 0.00 0.00 0.00 35.03 34.72 1ngz n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ngz s VAL 191 N -2.23 4.98 -0.17 3.15 1.01 -1.26 -0.83 120.40 125.04 1ngz s VAL 191 Ca -0.12 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 1ngz s VAL 191 Cb 0.04 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1ngz s VAL 191 CO 0.17 -0.07 -0.12 -0.31 0.00 0.00 0.00 175.10 174.77 1ngz s TYR 192 N 2.52 2.85 0.02 5.22 1.51 -0.25 -0.10 117.35 129.12 1ngz s TYR 192 Ca 0.24 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.33 1ngz s TYR 192 Cb -0.15 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1ngz s TYR 192 CO 0.11 -0.47 -0.05 0.00 -1.11 0.00 0.00 175.55 174.02 1ngz s ALA 193 N 0.97 0.36 -0.24 3.71 0.00 -0.41 -1.09 121.76 125.05 1ngz s ALA 193 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1ngz s ALA 193 Cb -0.15 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ngz s ALA 193 CO -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 175.76 175.61 1ngz s GLU 195 N 1.24 4.04 -0.09 0.00 2.12 0.30 -1.44 118.70 124.87 1ngz s GLU 195 Ca -0.02 -0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1ngz s GLU 195 Cb -0.17 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 1ngz s GLU 195 CO -0.06 0.11 -0.21 0.08 -0.54 0.00 0.00 175.26 174.64 1ngz s VAL 196 N 0.89 2.35 0.02 3.70 1.01 0.11 -0.59 120.40 127.89 1ngz s VAL 196 Ca 0.07 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1ngz s VAL 196 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1ngz s VAL 196 CO 0.03 0.56 -0.24 0.42 0.00 0.00 0.00 175.10 175.86 1ngz s THR 197 N 0.15 2.29 -0.11 3.92 -4.23 -0.43 -1.30 115.64 115.92 1ngz s THR 197 Ca -0.11 -1.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 1ngz s THR 197 Cb -0.16 -1.87 0.11 0.00 1.34 0.00 0.00 72.50 71.92 1ngz s THR 197 CO 0.06 0.45 0.90 -2.28 -0.54 0.00 0.00 174.62 173.22 1ngz s HIS 198 N -0.75 -0.44 0.43 3.99 2.46 -1.26 -1.76 115.29 117.96 1ngz s HIS 198 Ca 0.12 0.70 0.20 0.00 0.47 0.00 0.00 55.06 56.55 1ngz s HIS 198 Cb -0.10 0.45 1.15 0.00 -0.13 0.00 0.00 32.58 33.95 1ngz s HIS 198 CO 0.01 -0.43 1.84 1.96 -2.47 0.00 0.00 174.74 175.65 1ngz h GLN 199 N 2.60 0.33 -0.00 2.88 7.50 -1.92 -0.67 115.11 125.82 1ngz h GLN 199 Ca -0.21 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.92 1ngz h GLN 199 Cb 1.17 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1ngz h GLN 199 CO 0.33 0.22 -0.03 0.41 -1.50 0.00 0.00 178.83 178.26 1ngz n GLY 200 N -1.54 -1.08 3.48 3.46 0.00 -1.26 -4.76 105.19 103.48 1ngz n GLY 200 Ca 0.21 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ngz n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngz s LEU 201 N -2.40 3.69 0.31 0.99 1.43 -0.26 -4.54 118.68 117.90 1ngz s LEU 201 Ca 0.33 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1ngz s LEU 201 Cb 0.21 -1.99 0.53 0.00 0.03 0.00 0.00 46.19 44.97 1ngz s LEU 201 CO 0.44 -0.06 1.93 0.28 0.23 0.00 0.00 176.35 179.17 1ngz h SER 202 N 8.29 0.89 -5.04 2.29 0.02 -1.85 -3.43 113.55 114.70 1ngz h SER 202 Ca -0.37 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.42 1ngz h SER 202 Cb 1.17 -0.20 -0.18 0.00 0.14 0.00 0.00 62.40 63.34 1ngz h SER 202 CO 0.58 0.59 -0.69 -0.94 -1.14 0.00 0.00 176.83 175.23 1ngz s SER 203 N -6.12 0.48 0.39 3.07 1.04 -1.26 -5.13 113.70 106.16 1ngz s SER 203 Ca -0.11 -0.77 -0.26 0.00 0.48 0.00 0.00 55.95 55.29 1ngz s SER 203 Cb 0.19 0.14 -0.11 0.00 0.10 0.00 0.00 66.02 66.34 1ngz s SER 203 CO 0.79 -0.44 1.24 -2.65 0.98 0.00 0.00 173.24 173.17 1ngz n PRO 204 N 0.80 1.92 -4.08 4.02 -0.02 -1.26 -4.97 135.00 131.40 1ngz n PRO 204 Ca -0.19 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 1ngz n PRO 204 Cb 0.58 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1ngz n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ngz s VAL 205 N -1.17 4.18 -0.14 -1.45 1.01 -0.42 -4.92 120.40 117.48 1ngz s VAL 205 Ca 0.59 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1ngz s VAL 205 Cb -0.54 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1ngz s VAL 205 CO 0.59 0.43 -0.21 -0.89 0.00 0.00 0.00 175.10 175.03 1ngz s THR 206 N 0.83 2.15 -0.11 3.92 2.01 -1.26 0.05 115.64 123.23 1ngz s THR 206 Ca 0.01 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1ngz s THR 206 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1ngz s THR 206 CO 0.02 0.54 -0.00 -0.54 -0.69 0.00 0.00 174.62 173.95 1ngz s LYS 207 N 0.81 3.23 0.12 4.92 -0.14 -0.52 -4.94 119.74 123.23 1ngz s LYS 207 Ca -0.07 -0.43 -0.09 0.00 -1.36 0.00 0.00 55.97 54.01 1ngz s LYS 207 Cb -0.15 -2.85 -0.00 0.00 -1.68 0.00 0.00 37.83 33.14 1ngz s LYS 207 CO -0.02 0.55 0.24 0.45 -0.76 0.00 0.00 175.35 175.82 1ngz s SER 208 N -0.47 0.06 0.06 2.83 0.15 -1.26 -0.70 113.70 114.37 1ngz s SER 208 Ca 0.08 -0.70 -0.13 0.00 0.70 0.00 0.00 55.95 55.90 1ngz s SER 208 Cb -0.12 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1ngz s SER 208 CO 0.02 -0.80 0.28 0.72 1.20 0.00 0.00 173.24 174.66 1ngz s PHE 209 N -3.89 -0.06 -0.11 3.44 -0.12 -0.25 -5.01 117.98 111.98 1ngz s PHE 209 Ca 0.09 -0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 56.79 1ngz s PHE 209 Cb 0.04 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 1ngz s PHE 209 CO -0.07 -0.53 -0.04 -0.80 -0.05 0.00 0.00 175.22 173.73 1ngz s ASN 210 N -2.30 4.81 0.13 1.98 -0.87 -1.26 -1.09 114.94 116.34 1ngz s ASN 210 Ca -0.02 -0.05 -0.31 0.00 -1.57 0.00 0.00 52.86 50.91 1ngz s ASN 210 Cb 0.01 -1.52 -0.07 0.00 -0.02 0.00 0.00 41.25 39.64 1ngz s ASN 210 CO -0.06 0.27 1.27 -0.60 -2.57 0.00 0.00 177.10 175.41 1ngz s ARG 211 N -0.24 4.41 0.00 -0.60 3.52 -0.01 -4.86 118.95 121.17 1ngz s ARG 211 Ca 0.04 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 1ngz s ARG 211 Cb -0.13 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1ngz s ARG 211 CO 0.02 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 1ngz n GLY 212 N 2.94 1.25 3.66 8.12 0.00 -1.26 -4.93 105.19 114.97 1ngz n GLY 212 Ca 0.08 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1ngz n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11