#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s99 s ILE 10 N 0.00 4.36 0.12 5.15 1.01 -1.26 -4.88 121.20 125.69 1s99 s ILE 10 Ca 0.00 1.84 -0.02 0.00 0.00 0.00 0.00 60.65 62.46 1s99 s ILE 10 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1s99 s ILE 10 CO 0.00 0.47 0.31 0.00 0.00 0.00 0.00 174.94 175.73 1s99 s ALA 11 N -0.87 3.88 0.08 9.38 0.00 0.22 -4.34 121.76 130.11 1s99 s ALA 11 Ca 0.39 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1s99 s ALA 11 Cb -0.24 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1s99 s ALA 11 CO 0.28 0.71 -0.05 0.20 0.00 0.00 0.00 175.76 176.90 1s99 s GLY 12 N -2.55 0.65 -0.14 0.00 0.00 0.21 -1.36 107.32 104.14 1s99 s GLY 12 Ca 0.38 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 1s99 s GLY 12 CO 0.26 -1.40 0.19 -0.12 0.00 0.00 0.00 173.10 172.03 1s99 s PHE 13 N -3.76 -0.21 -0.29 1.90 5.36 -0.16 -0.89 117.98 119.92 1s99 s PHE 13 Ca 0.10 0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 56.40 1s99 s PHE 13 Cb 0.06 -0.31 -0.03 0.00 -0.34 0.00 0.00 43.02 42.40 1s99 s PHE 13 CO -0.07 -0.42 0.18 0.50 -1.46 0.00 0.00 175.22 173.94 1s99 s ARG 14 N 2.31 3.71 0.09 10.12 3.52 -0.62 -0.88 118.95 137.19 1s99 s ARG 14 Ca 0.04 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.12 1s99 s ARG 14 Cb -0.14 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1s99 s ARG 14 CO -0.09 -0.27 0.09 -0.59 -0.81 0.00 0.00 175.30 173.62 1s99 s PHE 15 N 1.71 0.44 0.08 5.12 -0.12 -0.05 -0.45 117.98 124.70 1s99 s PHE 15 Ca 0.06 -0.91 0.08 0.00 -0.05 0.00 0.00 56.93 56.11 1s99 s PHE 15 Cb -0.16 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 1s99 s PHE 15 CO 0.09 -0.49 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.45 1s99 s SER 16 N -2.93 2.45 -0.14 1.98 0.01 -0.15 -0.84 113.70 114.08 1s99 s SER 16 Ca 0.10 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 1s99 s SER 16 Cb 0.06 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1s99 s SER 16 CO -0.07 0.09 -0.12 -0.76 0.41 0.00 0.00 173.24 172.79 1s99 s LEU 17 N -1.60 2.74 -0.35 2.44 1.43 -1.26 -1.76 118.68 120.33 1s99 s LEU 17 Ca 0.06 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1s99 s LEU 17 Cb -0.09 -1.63 0.10 0.00 0.03 0.00 0.00 46.19 44.60 1s99 s LEU 17 CO 0.03 0.14 0.07 -0.31 0.23 0.00 0.00 176.35 176.51 1s99 s TYR 18 N 0.51 3.72 0.00 0.29 1.51 0.12 -4.98 117.35 118.51 1s99 s TYR 18 Ca -0.08 -2.87 0.00 0.00 -1.01 0.00 0.00 57.07 53.11 1s99 s TYR 18 Cb -0.16 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1s99 s TYR 18 CO 0.04 -0.95 0.00 -2.30 -1.11 0.00 0.00 175.55 171.23 1s99 n PRO 19 N 4.32 3.39 0.00 -1.71 -0.02 -1.26 -1.34 135.00 138.38 1s99 n PRO 19 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1s99 n PRO 19 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1s99 n PRO 19 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1s99 n THR 21 N 0.00 -0.36 0.20 3.45 5.66 -1.26 -4.68 114.28 117.29 1s99 n THR 21 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1s99 n THR 21 Cb 0.00 0.00 0.72 0.00 -1.55 0.00 0.00 70.33 69.50 1s99 n THR 21 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1s99 h ASP 22 N 0.00 0.00 -0.08 1.09 5.19 -2.06 -2.55 116.42 118.01 1s99 h ASP 22 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1s99 h ASP 22 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1s99 h ASP 22 CO 0.00 0.00 0.03 -0.67 -3.12 0.00 0.00 179.24 175.48 1s99 n ASP 23 N -4.29 2.28 -0.24 6.45 2.03 -1.26 -4.60 116.55 116.93 1s99 n ASP 23 Ca 0.01 -2.13 -0.03 0.00 0.52 0.00 0.00 54.79 53.16 1s99 n ASP 23 Cb 0.24 -0.53 0.15 0.00 -0.72 0.00 0.00 41.12 40.27 1s99 n ASP 23 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1s99 h PHE 24 N 0.25 1.05 -0.45 -0.67 -5.15 -1.73 -2.45 116.94 107.79 1s99 h PHE 24 Ca 0.03 -0.05 0.03 0.00 -0.20 0.00 0.00 57.97 57.79 1s99 h PHE 24 Cb 0.92 -0.33 -0.04 0.00 0.22 0.00 0.00 35.95 36.73 1s99 h PHE 24 CO 0.13 0.77 0.24 0.82 -2.00 0.00 0.00 178.31 178.27 1s99 h ILE 25 N 1.05 0.99 -0.54 0.88 2.04 -1.89 -2.00 117.51 118.04 1s99 h ILE 25 Ca 0.25 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 1s99 h ILE 25 Cb 0.12 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1s99 h ILE 25 CO -0.03 0.09 -0.12 -1.28 0.00 0.00 0.00 178.15 176.80 1s99 h SER 26 N 0.48 1.04 -0.40 1.72 0.87 -1.89 -1.94 113.55 113.43 1s99 h SER 26 Ca 0.19 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1s99 h SER 26 Cb 0.07 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1s99 h SER 26 CO -0.12 1.15 0.26 0.58 -0.53 0.00 0.00 176.83 178.18 1s99 h VAL 27 N 0.91 1.10 0.07 2.23 2.07 -1.13 -0.15 116.25 121.35 1s99 h VAL 27 Ca 0.14 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1s99 h VAL 27 Cb 0.70 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1s99 h VAL 27 CO 0.05 0.10 -0.03 0.40 0.02 0.00 0.00 177.57 178.11 1s99 h ILE 28 N 0.54 1.15 -0.54 4.57 2.04 -1.28 -1.96 117.51 122.02 1s99 h ILE 28 Ca 0.14 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.31 1s99 h ILE 28 Cb -0.06 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1s99 h ILE 28 CO -0.03 0.19 0.19 0.50 0.00 0.00 0.00 178.15 179.00 1s99 h LYS 29 N -0.44 0.36 -0.32 2.37 3.64 -1.30 -2.14 116.57 118.74 1s99 h LYS 29 Ca -0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1s99 h LYS 29 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1s99 h LYS 29 CO 0.02 0.24 0.10 1.03 -2.27 0.00 0.00 179.45 178.56 1s99 h SER 30 N 0.37 0.47 -0.50 4.20 0.87 -0.97 -1.19 113.55 116.81 1s99 h SER 30 Ca 0.27 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1s99 h SER 30 Cb 0.30 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1s99 h SER 30 CO -0.27 0.55 0.28 0.00 -0.53 0.00 0.00 176.83 176.86 1s99 h ALA 31 N 0.94 0.64 -0.45 6.23 0.00 -0.98 0.39 119.26 126.02 1s99 h ALA 31 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1s99 h ALA 31 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1s99 h ALA 31 CO -0.00 0.15 0.14 -0.07 0.00 0.00 0.00 179.25 179.46 1s99 h LEU 32 N 0.66 0.66 -0.89 0.00 3.38 -1.38 -3.06 115.31 114.68 1s99 h LEU 32 Ca 0.18 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1s99 h LEU 32 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1s99 h LEU 32 CO -0.03 0.69 -0.25 0.00 0.09 0.00 0.00 178.44 178.94 1s99 h ALA 33 N 0.99 1.06 -0.02 1.53 0.00 -0.94 -3.14 119.26 118.74 1s99 h ALA 33 Ca 0.14 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1s99 h ALA 33 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1s99 h ALA 33 CO -0.00 0.57 -0.57 0.00 0.00 0.00 0.00 179.25 179.25 1s99 h ALA 34 N 1.26 1.02 -2.83 0.00 0.00 -0.94 -3.44 119.26 114.33 1s99 h ALA 34 Ca 0.07 -0.52 -0.51 0.00 0.00 0.00 0.00 54.91 53.95 1s99 h ALA 34 Cb 0.69 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.42 1s99 h ALA 34 CO 0.05 0.71 0.53 0.99 0.00 0.00 0.00 179.25 181.53 1s99 s THR 35 N -3.76 3.21 -0.69 0.00 2.01 -1.16 -4.99 115.64 110.27 1s99 s THR 35 Ca -0.02 1.22 -0.27 0.00 0.31 0.00 0.00 61.69 62.93 1s99 s THR 35 Cb 0.13 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1s99 s THR 35 CO 0.77 0.29 1.57 -0.62 -0.69 0.00 0.00 174.62 175.93 1s99 s ASP 36 N -0.74 5.73 -0.24 3.53 -1.08 -1.26 -4.85 116.67 117.76 1s99 s ASP 36 Ca 0.46 -0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.53 1s99 s ASP 36 Cb -0.35 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.34 1s99 s ASP 36 CO 0.45 -2.11 1.70 0.35 0.52 0.00 0.00 175.17 176.09 1s99 n THR 37 N 6.81 2.71 0.28 1.71 -2.24 -1.26 -4.60 114.28 117.69 1s99 n THR 37 Ca 0.12 -1.52 0.16 0.00 -2.27 0.00 0.00 64.05 60.54 1s99 n THR 37 Cb 0.50 -0.28 0.55 0.00 -2.10 0.00 0.00 70.33 69.01 1s99 n THR 37 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s99 h SER 38 N 3.51 0.00 -0.27 3.42 4.64 -1.95 -3.13 113.55 119.76 1s99 h SER 38 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1s99 h SER 38 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1s99 h SER 38 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1s99 n LYS 39 N -3.01 2.39 -4.62 4.77 4.76 -1.26 -4.92 118.16 116.27 1s99 n LYS 39 Ca 0.02 -2.15 -0.23 0.00 -2.87 0.00 0.00 58.31 53.07 1s99 n LYS 39 Cb 0.35 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.92 1s99 n LYS 39 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s99 s VAL 40 N -1.60 1.37 0.12 -0.18 -7.23 -1.12 -4.71 120.40 107.04 1s99 s VAL 40 Ca 0.34 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1s99 s VAL 40 Cb 0.21 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.91 1s99 s VAL 40 CO 0.30 0.22 1.03 0.86 -0.31 0.00 0.00 175.10 177.20 1s99 s TRP 41 N -0.64 3.70 0.03 2.82 -0.00 -0.46 -4.79 118.94 119.59 1s99 s TRP 41 Ca 0.05 1.69 0.05 0.00 -0.00 0.00 0.00 56.10 57.89 1s99 s TRP 41 Cb -0.08 -3.16 -0.02 0.00 -0.00 0.00 0.00 33.47 30.21 1s99 s TRP 41 CO 0.01 -0.19 -0.14 0.95 -0.00 0.00 0.00 176.95 177.57 1s99 s THR 42 N 0.09 1.10 -0.08 5.86 -4.23 -1.26 -0.88 115.64 116.24 1s99 s THR 42 Ca 0.49 -0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1s99 s THR 42 Cb -0.26 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.65 1s99 s THR 42 CO 0.31 0.06 0.15 -0.75 -0.54 0.00 0.00 174.62 173.85 1s99 s LYS 43 N -0.99 0.05 -0.09 3.99 2.20 -0.70 -4.99 119.74 119.21 1s99 s LYS 43 Ca 0.02 0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1s99 s LYS 43 Cb -0.07 -0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 1s99 s LYS 43 CO 0.01 -0.26 -0.06 0.99 -0.36 0.00 0.00 175.35 175.67 1s99 s THR 44 N 1.88 3.71 0.06 3.43 2.01 -1.26 -0.96 115.64 124.52 1s99 s THR 44 Ca -0.01 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1s99 s THR 44 Cb -0.12 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 1s99 s THR 44 CO -0.06 0.57 0.02 -0.90 -0.69 0.00 0.00 174.62 173.56 1s99 n ASP 45 N 2.63 1.16 0.00 3.53 5.68 -0.19 -5.01 116.55 124.35 1s99 n ASP 45 Ca -0.18 -1.31 0.15 0.00 -0.50 0.00 0.00 54.79 52.95 1s99 n ASP 45 Cb 0.53 0.13 0.77 0.00 -1.14 0.00 0.00 41.12 41.41 1s99 n ASP 45 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s99 n HIS 46 N -0.14 0.00 -0.07 2.11 1.44 -1.26 -3.68 115.22 113.62 1s99 n HIS 46 Ca -0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.60 1s99 n HIS 46 Cb 0.09 -0.25 -0.06 0.00 0.12 0.00 0.00 29.99 29.88 1s99 n HIS 46 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1s99 n ILE 47 N -1.25 0.78 -3.95 0.61 5.41 -1.26 -5.12 119.36 114.59 1s99 n ILE 47 Ca 0.15 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 1s99 n ILE 47 Cb 0.22 -1.05 -0.02 0.00 -0.71 0.00 0.00 39.64 38.08 1s99 n ILE 47 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1s99 s SER 48 N -5.42 0.17 -0.03 4.38 1.04 -1.24 -4.68 113.70 107.92 1s99 s SER 48 Ca -0.19 -1.09 0.06 0.00 0.48 0.00 0.00 55.95 55.22 1s99 s SER 48 Cb 0.05 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 1s99 s SER 48 CO 0.31 -1.37 -0.20 -0.89 0.98 0.00 0.00 173.24 172.07 1s99 s THR 49 N -3.27 1.61 -0.09 2.02 2.01 -0.02 -1.02 115.64 116.88 1s99 s THR 49 Ca 0.21 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1s99 s THR 49 Cb -0.03 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1s99 s THR 49 CO 0.12 0.46 -0.07 0.54 -0.69 0.00 0.00 174.62 174.98 1s99 s VAL 50 N -0.26 3.65 -0.07 3.82 0.11 -0.14 -0.88 120.40 126.65 1s99 s VAL 50 Ca 0.02 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 1s99 s VAL 50 Cb -0.10 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1s99 s VAL 50 CO 0.01 0.57 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.42 1s99 s LEU 51 N -0.51 2.51 -0.01 2.54 1.43 -0.06 -1.72 118.68 122.86 1s99 s LEU 51 Ca 0.07 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1s99 s LEU 51 Cb -0.12 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1s99 s LEU 51 CO 0.02 0.28 -0.06 -0.13 0.23 0.00 0.00 176.35 176.69 1s99 s ARG 52 N -0.36 0.55 0.00 1.70 0.52 -0.06 -0.99 118.95 120.31 1s99 s ARG 52 Ca 0.03 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1s99 s ARG 52 Cb -0.12 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.81 1s99 s ARG 52 CO 0.02 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1s99 n GLY 53 N 3.05 -0.54 3.75 -3.53 0.00 -0.46 -1.36 105.19 106.11 1s99 n GLY 53 Ca -0.15 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1s99 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s99 s SER 54 N -4.00 4.22 0.19 1.61 1.04 -1.26 -0.61 113.70 114.89 1s99 s SER 54 Ca 0.00 1.89 -0.12 0.00 0.48 0.00 0.00 55.95 58.20 1s99 s SER 54 Cb 0.00 -2.53 0.19 0.00 0.10 0.00 0.00 66.02 63.78 1s99 s SER 54 CO 0.00 -2.23 1.75 0.40 0.98 0.00 0.00 173.24 174.14 1s99 h ILE 55 N -1.25 0.84 -0.17 -1.02 2.04 -1.91 -0.96 117.51 115.08 1s99 h ILE 55 Ca -0.43 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1s99 h ILE 55 Cb 1.24 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1s99 h ILE 55 CO 0.50 0.07 -0.14 0.44 0.00 0.00 0.00 178.15 179.02 1s99 h ASP 56 N 0.39 -0.44 0.40 1.72 5.19 -1.94 -1.45 116.42 120.29 1s99 h ASP 56 Ca 0.25 0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.57 1s99 h ASP 56 Cb 0.26 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1s99 h ASP 56 CO -0.24 -0.18 -0.74 0.45 -3.12 0.00 0.00 179.24 175.41 1s99 h HIS 57 N -0.15 0.39 -0.15 4.55 3.86 -1.82 -1.55 115.15 120.27 1s99 h HIS 57 Ca 0.11 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1s99 h HIS 57 Cb 0.31 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1s99 h HIS 57 CO -0.28 0.92 0.02 0.28 0.86 0.00 0.00 177.93 179.73 1s99 h VAL 58 N 0.19 1.23 -0.29 2.45 2.07 -1.00 -1.29 116.25 119.60 1s99 h VAL 58 Ca -0.03 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 1s99 h VAL 58 Cb 1.31 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1s99 h VAL 58 CO 0.12 0.23 -0.19 -0.26 0.02 0.00 0.00 177.57 177.49 1s99 h PHE 59 N 0.02 0.58 -0.36 1.57 -1.00 -1.26 -0.74 116.94 115.75 1s99 h PHE 59 Ca 0.05 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1s99 h PHE 59 Cb 0.33 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 1s99 h PHE 59 CO 0.02 0.68 0.12 0.22 -1.61 0.00 0.00 178.31 177.75 1s99 h ASP 60 N 0.48 0.52 -0.39 2.17 3.58 -1.21 -1.55 116.42 120.01 1s99 h ASP 60 Ca 0.08 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 1s99 h ASP 60 Cb 0.59 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1s99 h ASP 60 CO 0.04 0.58 0.05 0.00 -2.88 0.00 0.00 179.24 177.02 1s99 h ALA 61 N 0.96 0.52 -0.36 -0.78 0.00 -1.10 -2.40 119.26 116.10 1s99 h ALA 61 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s99 h ALA 61 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1s99 h ALA 61 CO -0.00 0.25 0.22 0.00 0.00 0.00 0.00 179.25 179.72 1s99 h ALA 62 N 0.91 0.46 -0.50 0.00 0.00 -1.04 -0.88 119.26 118.21 1s99 h ALA 62 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1s99 h ALA 62 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1s99 h ALA 62 CO 0.01 -0.05 0.21 -0.22 0.00 0.00 0.00 179.25 179.20 1s99 h LYS 63 N 0.47 0.74 -0.50 0.00 3.64 -1.26 -2.43 116.57 117.23 1s99 h LYS 63 Ca 0.13 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1s99 h LYS 63 Cb 0.00 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1s99 h LYS 63 CO -0.02 0.65 0.29 0.00 -2.27 0.00 0.00 179.45 178.10 1s99 h ALA 64 N 1.05 0.64 -0.33 5.00 0.00 -1.10 -0.98 119.26 123.56 1s99 h ALA 64 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1s99 h ALA 64 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1s99 h ALA 64 CO -0.02 0.14 0.15 0.82 0.00 0.00 0.00 179.25 180.35 1s99 h ILE 65 N 0.67 0.97 -0.34 0.00 2.04 -1.06 -0.72 117.51 119.06 1s99 h ILE 65 Ca 0.18 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1s99 h ILE 65 Cb 0.01 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1s99 h ILE 65 CO -0.03 0.06 0.04 0.22 0.00 0.00 0.00 178.15 178.44 1s99 h TYR 66 N 0.32 0.07 -0.42 1.37 3.20 -1.16 -1.11 116.97 119.22 1s99 h TYR 66 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1s99 h TYR 66 Cb 0.07 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1s99 h TYR 66 CO -0.11 -0.01 0.06 -0.07 -1.64 0.00 0.00 178.16 176.39 1s99 h LEU 67 N 0.15 0.68 -0.44 2.82 3.38 -0.90 0.15 115.31 121.16 1s99 h LEU 67 Ca 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1s99 h LEU 67 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1s99 h LEU 67 CO -0.24 0.77 0.18 0.45 0.09 0.00 0.00 178.44 179.70 1s99 h HIS 68 N 0.56 0.66 -0.14 1.13 3.86 -1.05 -1.14 115.15 119.03 1s99 h HIS 68 Ca 0.13 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1s99 h HIS 68 Cb 0.39 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1s99 h HIS 68 CO 0.03 0.56 0.08 0.00 0.86 0.00 0.00 177.93 179.46 1s99 h ALA 69 N 1.03 0.17 -0.68 2.45 0.00 -0.91 -2.71 119.26 118.61 1s99 h ALA 69 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1s99 h ALA 69 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1s99 h ALA 69 CO -0.01 -0.32 0.45 0.00 0.00 0.00 0.00 179.25 179.37 1s99 h ALA 70 N 1.01 1.66 -0.01 0.00 0.00 -0.58 -1.20 119.26 120.15 1s99 h ALA 70 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s99 h ALA 70 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s99 h ALA 70 CO -0.01 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1s99 n ASN 71 N -4.47 0.18 0.20 0.00 3.02 -0.44 -1.43 115.26 112.32 1s99 n ASN 71 Ca 0.09 -1.14 0.14 0.00 -0.03 0.00 0.00 54.58 53.64 1s99 n ASN 71 Cb 0.17 -0.00 0.67 0.00 -0.61 0.00 0.00 39.78 40.00 1s99 n ASN 71 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1s99 h SER 72 N 0.28 0.00 0.00 6.41 4.64 -0.99 -3.47 113.55 120.42 1s99 h SER 72 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s99 h SER 72 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1s99 h SER 72 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1s99 n GLU 73 N -2.54 0.00 -2.16 4.77 -0.58 -0.51 -5.01 120.64 114.61 1s99 n GLU 73 Ca -0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1s99 n GLU 73 Cb 0.16 -3.29 -0.01 0.00 -0.57 0.00 0.00 31.44 27.73 1s99 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1s99 s GLN 74 N -0.37 3.75 -0.15 3.49 -1.52 -1.26 -4.97 119.66 118.63 1s99 s GLN 74 Ca 0.00 0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 54.02 1s99 s GLN 74 Cb 0.00 -2.10 -0.04 0.00 -0.22 0.00 0.00 33.01 30.64 1s99 s GLN 74 CO 0.00 -0.44 1.73 -1.58 -0.25 0.00 0.00 175.29 174.75 1s99 s HIS 75 N -2.82 1.88 0.04 0.91 5.65 -1.26 -4.61 115.29 115.09 1s99 s HIS 75 Ca 0.58 0.34 0.03 0.00 0.25 0.00 0.00 55.06 56.26 1s99 s HIS 75 Cb -0.11 -3.99 -0.02 0.00 -1.18 0.00 0.00 32.58 27.28 1s99 s HIS 75 CO 0.40 -3.60 -0.10 0.96 -0.65 0.00 0.00 174.74 171.76 1s99 s ILE 76 N 5.13 0.72 0.00 0.89 -5.25 -0.86 -4.48 121.20 117.36 1s99 s ILE 76 Ca 0.77 -1.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.39 1s99 s ILE 76 Cb -0.30 -0.73 0.00 0.00 2.95 0.00 0.00 42.46 44.38 1s99 s ILE 76 CO 0.31 -0.25 0.00 0.52 -1.79 0.00 0.00 174.94 173.73 1s99 n VAL 77 N 1.62 0.00 0.00 8.37 0.31 -0.45 -0.98 118.33 127.20 1s99 n VAL 77 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1s99 n VAL 77 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1s99 n VAL 77 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1s99 n ASN 79 N 0.00 0.00 -2.89 4.52 4.05 -0.72 -0.71 115.26 119.51 1s99 n ASN 79 Ca 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 54.94 1s99 n ASN 79 Cb 0.00 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.03 1s99 n ASN 79 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1s99 s GLY 80 N 0.00 0.49 -0.09 8.20 0.00 -0.49 -0.98 107.32 114.44 1s99 s GLY 80 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 1s99 s GLY 80 CO 0.00 -0.38 -0.05 -1.59 0.00 0.00 0.00 173.10 171.08 1s99 s THR 81 N -2.27 0.80 0.17 0.90 2.01 0.40 -0.77 115.64 116.88 1s99 s THR 81 Ca 0.17 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 1s99 s THR 81 Cb -0.05 -0.86 -0.08 0.00 0.01 0.00 0.00 72.50 71.53 1s99 s THR 81 CO 0.12 0.33 0.70 -0.36 -0.69 0.00 0.00 174.62 174.72 1s99 s PHE 82 N 1.71 3.78 -0.05 4.92 0.40 -1.26 -1.59 117.98 125.88 1s99 s PHE 82 Ca 0.03 1.44 -0.07 0.00 -0.60 0.00 0.00 56.93 57.73 1s99 s PHE 82 Cb -0.13 -2.63 0.01 0.00 0.51 0.00 0.00 43.02 40.78 1s99 s PHE 82 CO -0.06 0.46 0.19 0.45 0.70 0.00 0.00 175.22 176.95 1s99 s SER 83 N -1.35 -0.14 -0.06 1.36 0.15 -0.07 -4.23 113.70 109.35 1s99 s SER 83 Ca 0.37 0.23 -0.17 0.00 0.70 0.00 0.00 55.95 57.07 1s99 s SER 83 Cb -0.20 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1s99 s SER 83 CO 0.22 -0.16 0.40 -0.51 1.20 0.00 0.00 173.24 174.39 1s99 s ILE 84 N -0.34 0.03 0.00 6.45 2.07 -0.84 -0.62 121.20 127.95 1s99 s ILE 84 Ca -0.04 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 1s99 s ILE 84 Cb -0.03 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.89 1s99 s ILE 84 CO 0.01 -0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1s99 n GLY 85 N 1.64 0.69 3.73 1.50 0.00 -1.25 -1.82 105.19 109.67 1s99 n GLY 85 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1s99 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s99 n PRO 87 N 3.42 1.91 -0.82 0.00 -0.02 -1.26 -1.60 135.00 136.63 1s99 n PRO 87 Ca 0.12 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1s99 n PRO 87 Cb 0.38 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1s99 n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s99 n GLY 88 N 3.49 0.85 3.59 -1.23 0.00 -1.26 -4.99 105.19 105.64 1s99 n GLY 88 Ca 0.19 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.65 1s99 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s99 n ASP 89 N 0.00 1.26 -4.71 1.61 4.64 -0.63 -4.90 116.55 113.83 1s99 n ASP 89 Ca 0.00 1.13 -0.35 0.00 -1.38 0.00 0.00 54.79 54.19 1s99 n ASP 89 Cb 0.00 -1.09 0.10 0.00 -1.04 0.00 0.00 41.12 39.09 1s99 n ASP 89 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1s99 s THR 90 N 0.96 2.01 -1.13 5.18 -1.32 -1.26 -4.93 115.64 115.15 1s99 s THR 90 Ca 0.90 0.01 0.27 0.00 -1.21 0.00 0.00 61.69 61.65 1s99 s THR 90 Cb -1.10 -2.69 0.17 0.00 -1.51 0.00 0.00 72.50 67.37 1s99 s THR 90 CO 0.55 -0.00 1.67 0.00 -2.21 0.00 0.00 174.62 174.63 1s99 n GLN 91 N -2.66 0.14 -0.46 7.08 1.13 -1.26 -4.91 117.38 116.44 1s99 n GLN 91 Ca 0.15 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1s99 n GLN 91 Cb 0.49 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1s99 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s99 n GLY 92 N 1.46 1.39 4.10 1.08 0.00 -1.26 -4.58 105.19 107.38 1s99 n GLY 92 Ca 0.08 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1s99 n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s99 n ASP 93 N -1.71 -2.76 -4.11 1.61 8.00 -1.26 -4.99 116.55 111.32 1s99 n ASP 93 Ca 0.00 -0.97 -0.18 0.00 0.71 0.00 0.00 54.79 54.35 1s99 n ASP 93 Cb 0.00 -3.02 -0.13 0.00 -0.02 0.00 0.00 41.12 37.96 1s99 n ASP 93 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s99 s THR 94 N -3.47 0.92 -0.36 -3.53 -4.23 -1.26 -4.70 115.64 99.02 1s99 s THR 94 Ca 0.54 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 1s99 s THR 94 Cb -0.29 -0.87 0.19 0.00 1.34 0.00 0.00 72.50 72.87 1s99 s THR 94 CO 0.90 -0.10 0.67 -0.72 -0.54 0.00 0.00 174.62 174.83 1s99 s TYR 95 N -0.96 -1.60 0.00 3.99 -0.85 -1.26 -4.90 117.35 111.77 1s99 s TYR 95 Ca -0.01 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 57.03 1s99 s TYR 95 Cb -0.08 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1s99 s TYR 95 CO 0.01 -1.03 0.00 -0.25 -1.52 0.00 0.00 175.55 172.76 1s99 n ASP 100 N 4.69 0.00 -4.72 -0.18 9.92 -1.26 -2.80 116.55 122.20 1s99 n ASP 100 Ca 0.09 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.93 1s99 n ASP 100 Cb 0.57 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1s99 n ASP 100 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1s99 s LYS 101 N 0.00 4.16 -0.91 -1.24 2.20 -1.26 -4.88 119.74 117.81 1s99 s LYS 101 Ca 0.00 2.52 -0.25 0.00 -0.36 0.00 0.00 55.97 57.89 1s99 s LYS 101 Cb 0.00 -3.10 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1s99 s LYS 101 CO 0.00 -0.69 1.43 1.03 -0.36 0.00 0.00 175.35 176.76 1s99 s ARG 102 N 1.02 3.37 0.59 4.03 0.52 -1.26 -4.86 118.95 122.37 1s99 s ARG 102 Ca 0.72 -0.73 0.38 0.00 -0.52 0.00 0.00 55.73 55.59 1s99 s ARG 102 Cb -0.48 -4.91 1.86 0.00 0.52 0.00 0.00 34.95 31.94 1s99 s ARG 102 CO 0.33 -2.26 2.15 -0.39 0.02 0.00 0.00 175.30 175.15 1s99 h VAL 103 N 6.56 0.00 0.00 3.52 -1.51 -1.94 -2.41 116.25 120.48 1s99 h VAL 103 Ca 0.02 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1s99 h VAL 103 Cb 1.03 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1s99 h VAL 103 CO 1.36 0.00 -0.86 0.59 -1.23 0.00 0.00 177.57 177.43 1s99 n ASN 104 N -3.03 0.65 -0.31 4.19 3.02 -1.26 -4.66 115.26 113.86 1s99 n ASN 104 Ca -0.01 -0.04 -0.01 0.00 -0.03 0.00 0.00 54.58 54.50 1s99 n ASN 104 Cb 0.18 0.51 0.12 0.00 -0.61 0.00 0.00 39.78 39.99 1s99 n ASN 104 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1s99 h GLU 105 N 0.00 1.00 -0.07 3.52 4.81 -1.79 -1.82 114.58 120.22 1s99 h GLU 105 Ca 0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1s99 h GLU 105 Cb 0.75 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1s99 h GLU 105 CO 0.00 0.66 -0.09 0.22 -0.73 0.00 0.00 179.01 179.07 1s99 h ASP 106 N 1.03 0.21 -0.49 1.04 1.82 -1.83 -1.95 116.42 116.25 1s99 h ASP 106 Ca 0.35 -0.51 0.07 0.00 -0.39 0.00 0.00 57.03 56.55 1s99 h ASP 106 Cb 0.07 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1s99 h ASP 106 CO -0.14 0.68 0.33 0.00 -1.61 0.00 0.00 179.24 178.50 1s99 h ALA 107 N 0.54 1.97 -0.49 -0.78 0.00 -1.69 -2.09 119.26 116.72 1s99 h ALA 107 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s99 h ALA 107 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s99 h ALA 107 CO 0.02 -0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.54 1s99 n VAL 108 N -4.47 0.84 0.26 0.00 0.24 -0.75 -4.66 118.33 109.80 1s99 n VAL 108 Ca 0.07 -0.92 0.08 0.00 -2.04 0.00 0.00 64.34 61.53 1s99 n VAL 108 Cb 0.28 0.64 0.65 0.00 -1.47 0.00 0.00 33.84 33.94 1s99 n VAL 108 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1s99 h ARG 109 N 3.37 0.00 -0.02 7.34 0.11 -0.61 -0.47 114.38 124.09 1s99 h ARG 109 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1s99 h ARG 109 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 1s99 h ARG 109 CO 0.00 0.03 -0.02 0.41 0.10 0.00 0.00 179.97 180.48 1s99 n GLY 110 N -1.44 0.59 3.83 0.08 0.00 -1.26 -4.90 105.19 102.08 1s99 n GLY 110 Ca -0.03 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1s99 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s99 s LEU 111 N -2.03 4.29 0.09 0.99 1.43 -0.19 -5.09 118.68 118.18 1s99 s LEU 111 Ca 0.31 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1s99 s LEU 111 Cb 0.20 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1s99 s LEU 111 CO 0.33 0.00 -0.07 -0.54 0.23 0.00 0.00 176.35 176.30 1s99 s LYS 112 N -2.15 0.78 -0.28 1.70 1.02 -1.26 -4.97 119.74 114.59 1s99 s LYS 112 Ca 0.44 -1.21 -0.24 0.00 0.02 0.00 0.00 55.97 54.99 1s99 s LYS 112 Cb -0.15 -0.26 0.09 0.00 -0.52 0.00 0.00 37.83 36.99 1s99 s LYS 112 CO 0.20 0.01 0.85 0.00 -0.92 0.00 0.00 175.35 175.49 1s99 s ALA 113 N -3.07 -1.89 0.52 5.17 0.00 -1.26 -4.82 121.76 116.41 1s99 s ALA 113 Ca 0.07 2.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.83 1s99 s ALA 113 Cb 0.01 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 1s99 s ALA 113 CO -0.03 -0.30 1.16 -1.21 0.00 0.00 0.00 175.76 175.37 1s99 s GLU 114 N 0.46 3.47 -0.39 0.00 0.41 -1.26 -0.28 118.70 121.11 1s99 s GLU 114 Ca 0.00 1.72 0.12 0.00 -0.41 0.00 0.00 54.97 56.40 1s99 s GLU 114 Cb -0.05 -2.16 0.37 0.00 -1.78 0.00 0.00 34.13 30.51 1s99 s GLU 114 CO -0.04 -0.78 0.80 0.00 -0.49 0.00 0.00 175.26 174.75 1s99 n ALA 115 N -1.00 2.65 -1.74 5.21 0.00 0.19 -4.54 120.51 121.28 1s99 n ALA 115 Ca 0.10 -3.55 -0.42 0.00 0.00 0.00 0.00 53.44 49.58 1s99 n ALA 115 Cb 0.49 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 1s99 n ALA 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s99 n PRO 116 N 0.14 2.51 -3.77 0.00 -0.04 -1.26 -4.50 135.00 128.09 1s99 n PRO 116 Ca 0.24 0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 64.45 1s99 n PRO 116 Cb 0.65 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 1s99 n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s99 s GLN 118 N 0.35 3.57 0.05 0.00 -0.21 -0.53 -0.85 119.66 122.04 1s99 s GLN 118 Ca -0.02 -0.54 -0.01 0.00 0.02 0.00 0.00 55.36 54.81 1s99 s GLN 118 Cb -0.03 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1s99 s GLN 118 CO -0.01 0.27 -0.01 -0.59 -2.12 0.00 0.00 175.29 172.82 1s99 s PHE 119 N 0.27 0.44 -0.07 0.91 -0.12 -0.38 -1.18 117.98 117.85 1s99 s PHE 119 Ca -0.04 -0.92 -0.03 0.00 -0.05 0.00 0.00 56.93 55.89 1s99 s PHE 119 Cb -0.14 -0.33 0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1s99 s PHE 119 CO 0.03 -0.35 0.15 0.00 -0.05 0.00 0.00 175.22 175.00 1s99 s ALA 120 N -3.41 -0.28 -0.15 1.99 0.00 -0.78 -1.17 121.76 117.96 1s99 s ALA 120 Ca 0.02 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 1s99 s ALA 120 Cb 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1s99 s ALA 120 CO -0.08 -0.15 0.10 -1.17 0.00 0.00 0.00 175.76 174.46 1s99 s LEU 121 N 1.06 4.09 -0.52 0.00 2.96 -1.26 -0.99 118.68 124.02 1s99 s LEU 121 Ca -0.08 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1s99 s LEU 121 Cb -0.10 -2.01 0.16 0.00 0.50 0.00 0.00 46.19 44.73 1s99 s LEU 121 CO -0.05 0.29 0.36 -0.31 -1.32 0.00 0.00 176.35 175.31 1s99 s TYR 122 N -0.31 2.23 0.89 5.38 1.51 0.37 -4.96 117.35 122.45 1s99 s TYR 122 Ca 0.10 -2.70 -0.14 0.00 -1.01 0.00 0.00 57.07 53.32 1s99 s TYR 122 Cb -0.12 -1.85 0.14 0.00 -0.11 0.00 0.00 41.96 40.02 1s99 s TYR 122 CO 0.01 -0.72 1.22 -2.14 -1.11 0.00 0.00 175.55 172.82 1s99 s PRO 123 N -0.35 1.30 0.00 -1.71 0.02 -1.26 -1.51 135.00 131.49 1s99 s PRO 123 Ca 0.25 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.22 1s99 s PRO 123 Cb -0.09 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1s99 s PRO 123 CO -0.12 -2.03 0.00 -1.71 -0.33 0.00 0.00 177.00 172.82 1s99 n ASN 125 N -3.58 0.00 -3.72 2.53 5.15 -1.26 -4.86 115.26 109.52 1s99 n ASN 125 Ca 0.10 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.80 1s99 n ASN 125 Cb 0.60 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.70 1s99 n ASN 125 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1s99 s GLU 126 N 0.00 0.66 0.50 1.20 2.56 -1.26 -5.00 118.70 117.37 1s99 s GLU 126 Ca 0.00 -0.76 0.19 0.00 0.00 0.00 0.00 54.97 54.40 1s99 s GLU 126 Cb 0.00 -1.96 1.25 0.00 2.00 0.00 0.00 34.13 35.42 1s99 s GLU 126 CO 0.00 -0.84 2.04 -1.35 -0.56 0.00 0.00 175.26 174.55 1s99 h PRO 127 N 8.18 0.11 -0.94 4.30 0.11 -2.04 -2.04 132.00 139.69 1s99 h PRO 127 Ca -0.15 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.60 1s99 h PRO 127 Cb 1.06 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 31.94 1s99 h PRO 127 CO 0.41 0.07 0.44 -0.25 -0.21 0.00 0.00 178.00 178.47 1s99 n ASP 128 N -4.45 3.82 -1.55 -2.05 10.43 -1.26 -4.94 116.55 116.54 1s99 n ASP 128 Ca 0.05 -3.20 0.00 0.00 2.57 0.00 0.00 54.79 54.22 1s99 n ASP 128 Cb 0.37 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.57 1s99 n ASP 128 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s99 n TYR 129 N -0.59 0.00 0.00 1.24 0.18 -0.77 -2.30 117.16 114.92 1s99 n TYR 129 Ca 0.44 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.22 1s99 n TYR 129 Cb 1.37 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 40.16 1s99 n TYR 129 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1s99 n GLY 131 N 1.47 0.00 0.32 -7.48 0.00 -1.26 -1.22 105.19 97.02 1s99 n GLY 131 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1s99 n GLY 131 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s99 h LEU 132 N 0.00 1.00 -1.58 0.99 3.38 -1.90 -0.02 115.31 117.18 1s99 h LEU 132 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1s99 h LEU 132 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1s99 h LEU 132 CO 0.00 0.82 0.00 -0.38 0.09 0.00 0.00 178.44 178.97 1s99 n ILE 133 N -4.41 0.06 0.00 1.22 5.41 -0.35 -1.05 119.36 120.23 1s99 n ILE 133 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1s99 n ILE 133 Cb 0.10 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 1s99 n ILE 133 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1s99 n GLU 135 N 0.74 0.00 -0.15 0.38 2.13 -0.02 -1.97 120.64 121.75 1s99 n GLU 135 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1s99 n GLU 135 Cb 0.04 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.80 1s99 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s99 h ALA 136 N 0.00 0.56 -0.74 4.31 0.00 -1.35 -0.36 119.26 121.67 1s99 h ALA 136 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1s99 h ALA 136 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s99 h ALA 136 CO 0.00 -0.22 0.37 0.28 0.00 0.00 0.00 179.25 179.68 1s99 h VAL 137 N 0.34 1.24 -0.84 0.00 2.07 -1.67 -1.53 116.25 115.85 1s99 h VAL 137 Ca 0.22 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1s99 h VAL 137 Cb 0.21 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1s99 h VAL 137 CO -0.22 0.28 0.49 0.44 0.02 0.00 0.00 177.57 178.58 1s99 h ASP 138 N 1.04 1.03 -0.27 0.57 3.32 -1.67 0.15 116.42 120.58 1s99 h ASP 138 Ca 0.26 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1s99 h ASP 138 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1s99 h ASP 138 CO -0.03 0.80 0.09 0.40 -1.72 0.00 0.00 179.24 178.78 1s99 h ILE 139 N 1.17 1.19 -0.74 0.35 2.04 -0.72 -0.97 117.51 119.83 1s99 h ILE 139 Ca 0.30 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1s99 h ILE 139 Cb -0.02 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1s99 h ILE 139 CO -0.05 0.20 0.40 0.00 0.00 0.00 0.00 178.15 178.70 1s99 h ALA 140 N 0.93 1.31 -0.29 1.87 0.00 -0.72 -1.27 119.26 121.10 1s99 h ALA 140 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s99 h ALA 140 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1s99 h ALA 140 CO -0.00 0.56 0.08 0.87 0.00 0.00 0.00 179.25 180.75 1s99 h LYS 141 N 1.03 0.45 -0.42 0.00 1.57 -0.73 -1.53 116.57 116.94 1s99 h LYS 141 Ca 0.26 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1s99 h LYS 141 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1s99 h LYS 141 CO -0.04 0.53 0.17 0.00 -0.57 0.00 0.00 179.45 179.53 1s99 h ALA 142 N 0.91 1.50 -0.00 3.86 0.00 -0.87 -2.09 119.26 122.57 1s99 h ALA 142 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s99 h ALA 142 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s99 h ALA 142 CO -0.00 0.38 -0.25 1.04 0.00 0.00 0.00 179.25 180.43 1s99 n GLN 143 N -4.37 0.51 -0.57 0.00 6.02 -0.50 -4.93 117.38 113.53 1s99 n GLN 143 Ca 0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1s99 n GLN 143 Cb 0.15 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1s99 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s99 n GLY 144 N 1.37 0.72 0.00 1.08 0.00 -0.67 -4.93 105.19 102.77 1s99 n GLY 144 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1s99 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s99 n THR 145 N -2.53 0.00 -2.18 2.61 -2.24 -0.67 -4.94 114.28 104.34 1s99 n THR 145 Ca 0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1s99 n THR 145 Cb 0.00 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1s99 n THR 145 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1s99 s PHE 146 N -2.96 3.22 -0.08 4.78 5.36 -1.07 -1.18 117.98 126.05 1s99 s PHE 146 Ca 0.01 1.13 -0.09 0.00 -0.96 0.00 0.00 56.93 57.01 1s99 s PHE 146 Cb 0.13 -3.65 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1s99 s PHE 146 CO 0.75 -2.12 -0.18 0.28 -1.46 0.00 0.00 175.22 172.49 1s99 n VAL 147 N 2.90 0.88 -3.66 3.12 0.31 0.38 -4.87 118.33 117.38 1s99 n VAL 147 Ca 0.07 0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.63 1s99 n VAL 147 Cb 0.42 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 1s99 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s99 s GLN 148 N -2.06 1.01 0.22 5.55 -2.07 -1.22 -5.03 119.66 116.05 1s99 s GLN 148 Ca -0.15 -0.51 -0.19 0.00 -1.82 0.00 0.00 55.36 52.70 1s99 s GLN 148 Cb 0.02 0.38 -0.08 0.00 -1.09 0.00 0.00 33.01 32.24 1s99 s GLN 148 CO 0.22 -0.46 0.71 0.20 -1.32 0.00 0.00 175.29 174.64 1s99 s GLY 149 N -2.78 2.60 0.33 2.60 0.00 -1.26 -0.62 107.32 108.20 1s99 s GLY 149 Ca 0.10 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1s99 s GLY 149 CO -0.02 0.49 0.08 -1.34 0.00 0.00 0.00 173.10 172.32 1s99 s VAL 150 N -1.51 0.92 0.01 1.40 -7.23 -0.32 -4.93 120.40 108.73 1s99 s VAL 150 Ca 0.42 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 58.26 1s99 s VAL 150 Cb -0.17 -2.65 -0.12 0.00 0.56 0.00 0.00 36.38 34.00 1s99 s VAL 150 CO 0.21 0.00 1.81 1.41 -0.31 0.00 0.00 175.10 178.21 1s99 n HIS 151 N -0.70 2.36 -0.94 2.82 8.25 -1.26 -2.73 115.22 123.02 1s99 n HIS 151 Ca -0.03 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1s99 n HIS 151 Cb 0.66 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 29.12 1s99 n HIS 151 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1s99 n TYR 152 N 5.78 0.00 -3.56 4.41 0.53 -1.26 -4.95 117.16 118.12 1s99 n TYR 152 Ca 0.20 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 57.00 1s99 n TYR 152 Cb 0.31 -0.61 -0.02 0.00 -1.03 0.00 0.00 39.34 37.99 1s99 n TYR 152 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1s99 s ALA 153 N -2.14 -1.70 0.14 -0.72 0.00 -1.10 -4.74 121.76 111.49 1s99 s ALA 153 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1s99 s ALA 153 Cb 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1s99 s ALA 153 CO 0.00 -0.80 0.07 -1.12 0.00 0.00 0.00 175.76 173.91 1s99 s SER 154 N -2.66 5.23 -0.12 0.00 0.01 -0.32 -1.17 113.70 114.66 1s99 s SER 154 Ca 0.06 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 1s99 s SER 154 Cb -0.01 -1.29 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 1s99 s SER 154 CO -0.07 0.11 -0.05 -1.61 0.41 0.00 0.00 173.24 172.03 1s99 s GLU 155 N -2.80 3.35 0.25 12.44 2.02 0.21 -1.25 118.70 132.91 1s99 s GLU 155 Ca 0.29 -0.54 0.10 0.00 0.02 0.00 0.00 54.97 54.84 1s99 s GLU 155 Cb -0.10 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1s99 s GLU 155 CO 0.21 0.39 -0.05 -0.51 0.02 0.00 0.00 175.26 175.31 1s99 s LEU 156 N -0.04 3.06 0.19 1.80 1.43 -0.03 -0.47 118.68 124.62 1s99 s LEU 156 Ca 0.01 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 1s99 s LEU 156 Cb -0.13 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1s99 s LEU 156 CO 0.03 0.03 0.47 -0.62 0.23 0.00 0.00 176.35 176.49 1s99 s ASP 157 N -3.47 -0.20 0.00 2.29 -1.08 -0.33 -1.22 116.67 112.67 1s99 s ASP 157 Ca 0.30 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 1s99 s ASP 157 Cb -0.07 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1s99 s ASP 157 CO 0.18 -1.02 0.00 0.61 0.52 0.00 0.00 175.17 175.46 1s99 n GLY 158 N -0.31 0.80 3.80 2.66 0.00 -1.26 -4.60 105.19 106.27 1s99 n GLY 158 Ca -0.09 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1s99 n GLY 158 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s99 s ASP 159 N -2.92 5.77 0.25 1.61 2.15 -1.26 -0.63 116.67 121.64 1s99 s ASP 159 Ca 0.00 1.88 -0.03 0.00 0.43 0.00 0.00 52.55 54.83 1s99 s ASP 159 Cb 0.00 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.56 1s99 s ASP 159 CO 0.00 -1.17 1.76 0.00 -0.17 0.00 0.00 175.17 175.59 1s99 h ALA 160 N 0.60 1.19 -0.96 3.66 0.00 -0.92 -1.20 119.26 121.63 1s99 h ALA 160 Ca -0.47 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1s99 h ALA 160 Cb 1.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1s99 h ALA 160 CO 0.57 -0.08 0.62 0.45 0.00 0.00 0.00 179.25 180.81 1s99 h HIS 161 N 0.61 1.16 -0.02 0.00 3.86 -1.92 0.11 115.15 118.94 1s99 h HIS 161 Ca 0.43 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 59.42 1s99 h HIS 161 Cb 0.58 -0.38 0.02 0.00 1.06 0.00 0.00 27.41 28.69 1s99 h HIS 161 CO -0.10 0.65 -0.98 -0.44 0.86 0.00 0.00 177.93 177.92 1s99 h ASP 162 N 1.18 0.90 -0.18 2.45 3.32 -1.70 -1.95 116.42 120.44 1s99 h ASP 162 Ca 0.39 -0.73 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1s99 h ASP 162 Cb 0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1s99 h ASP 162 CO -0.13 1.50 -0.08 0.58 -1.72 0.00 0.00 179.24 179.39 1s99 h VAL 163 N 0.38 1.31 -0.20 -1.35 2.07 -1.02 -1.29 116.25 116.14 1s99 h VAL 163 Ca -0.12 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1s99 h VAL 163 Cb 1.63 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1s99 h VAL 163 CO 0.19 0.33 0.01 -0.26 0.02 0.00 0.00 177.57 177.87 1s99 h PHE 164 N 0.05 0.29 -0.65 1.57 -1.00 -0.87 -0.83 116.94 115.50 1s99 h PHE 164 Ca 0.04 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 1s99 h PHE 164 Cb 0.55 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.00 1s99 h PHE 164 CO 0.06 0.30 0.12 1.03 -1.61 0.00 0.00 178.31 178.22 1s99 h SER 165 N 0.29 1.02 -0.34 2.17 0.87 -1.05 -1.43 113.55 115.09 1s99 h SER 165 Ca 0.07 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1s99 h SER 165 Cb 0.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1s99 h SER 165 CO 0.00 1.01 0.12 0.74 -0.53 0.00 0.00 176.83 178.18 1s99 h THR 166 N 0.99 1.20 -0.78 2.23 2.02 -0.66 -1.39 112.91 116.53 1s99 h THR 166 Ca 0.20 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1s99 h THR 166 Cb 0.41 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1s99 h THR 166 CO 0.01 0.22 0.51 -0.07 0.37 0.00 0.00 175.52 176.56 1s99 h LEU 167 N 0.40 0.90 -0.44 2.58 3.38 -1.02 -1.19 115.31 119.93 1s99 h LEU 167 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1s99 h LEU 167 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1s99 h LEU 167 CO -0.01 0.65 0.10 -0.08 0.09 0.00 0.00 178.44 179.20 1s99 h GLU 168 N 1.05 0.70 -0.72 1.13 4.81 -1.13 -1.92 114.58 118.50 1s99 h GLU 168 Ca 0.28 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1s99 h GLU 168 Cb -0.11 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 1s99 h GLU 168 CO -0.06 0.71 0.45 0.00 -0.73 0.00 0.00 179.01 179.39 1s99 h ALA 169 N 0.96 0.95 -0.29 2.92 0.00 -0.78 0.40 119.26 123.42 1s99 h ALA 169 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1s99 h ALA 169 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1s99 h ALA 169 CO 0.00 0.24 0.15 0.28 0.00 0.00 0.00 179.25 179.92 1s99 h VAL 170 N 0.88 1.14 -0.74 0.00 2.07 -1.15 -3.10 116.25 115.35 1s99 h VAL 170 Ca 0.29 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1s99 h VAL 170 Cb 0.02 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1s99 h VAL 170 CO -0.11 0.14 0.29 0.15 0.02 0.00 0.00 177.57 178.06 1s99 h PHE 171 N 0.34 1.13 0.00 1.57 3.57 -0.88 -1.23 116.94 121.45 1s99 h PHE 171 Ca 0.10 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s99 h PHE 171 Cb 0.09 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1s99 h PHE 171 CO -0.03 0.87 0.00 0.54 -2.23 0.00 0.00 178.31 177.46 1s99 n ARG 172 N -4.33 0.40 0.00 1.11 1.74 0.09 -0.85 116.66 114.82 1s99 n ARG 172 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1s99 n ARG 172 Cb 0.18 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1s99 n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s99 n ALA 174 N 0.64 0.00 0.21 7.54 0.00 -0.46 -1.81 120.51 126.63 1s99 n ALA 174 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1s99 n ALA 174 Cb 0.17 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.00 1s99 n ALA 174 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1s99 h GLU 175 N 0.00 0.00 -0.03 0.00 -0.00 -1.23 -1.73 114.58 111.59 1s99 h GLU 175 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 1s99 h GLU 175 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1s99 h GLU 175 CO 0.00 0.22 -0.50 1.96 -0.00 0.00 0.00 179.01 180.69 1s99 h GLN 176 N 0.00 0.07 0.00 1.06 4.20 -1.60 -3.34 115.11 115.50 1s99 h GLN 176 Ca -0.00 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.40 1s99 h GLN 176 Cb 0.86 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 1s99 h GLN 176 CO 0.03 0.56 -1.87 1.04 -0.67 0.00 0.00 178.83 177.92 1s99 n GLN 177 N -3.94 0.65 -3.99 1.46 6.02 -0.84 -5.00 117.38 111.74 1s99 n GLN 177 Ca -0.02 0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.98 1s99 n GLN 177 Cb 0.53 -1.69 -0.14 0.00 1.02 0.00 0.00 30.24 29.95 1s99 n GLN 177 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1s99 s THR 178 N -2.72 0.18 0.06 5.09 2.01 -0.71 -5.09 115.64 114.46 1s99 s THR 178 Ca -0.06 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.62 1s99 s THR 178 Cb 0.08 -0.17 -0.16 0.00 0.01 0.00 0.00 72.50 72.26 1s99 s THR 178 CO 0.83 0.06 1.59 0.78 -0.69 0.00 0.00 174.62 177.19 1s99 h ASN 179 N 6.20 0.03 -3.19 3.53 2.35 -1.87 -3.41 115.58 119.21 1s99 h ASN 179 Ca -0.27 -0.16 -0.65 0.00 -0.55 0.00 0.00 56.30 54.67 1s99 h ASN 179 Cb 1.20 -0.01 -0.36 0.00 0.05 0.00 0.00 38.32 39.20 1s99 h ASN 179 CO 0.50 0.18 -0.84 -2.28 -1.65 0.00 0.00 177.43 173.34 1s99 s HIS 180 N -5.55 2.65 0.06 1.19 2.46 -1.26 -3.91 115.29 110.92 1s99 s HIS 180 Ca -0.14 -1.61 0.05 0.00 0.47 0.00 0.00 55.06 53.83 1s99 s HIS 180 Cb 0.05 -1.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.66 1s99 s HIS 180 CO 0.67 -0.78 -0.14 0.96 -2.47 0.00 0.00 174.74 172.98 1s99 s ILE 181 N 1.33 1.09 0.00 0.89 -4.36 -0.76 -4.64 121.20 114.76 1s99 s ILE 181 Ca 0.03 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1s99 s ILE 181 Cb -0.14 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.54 1s99 s ILE 181 CO -0.11 -0.16 0.00 0.35 0.24 0.00 0.00 174.94 175.26 1s99 n THR 182 N 1.47 0.00 -3.95 8.37 -2.24 -0.57 -1.99 114.28 115.38 1s99 n THR 182 Ca -0.20 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1s99 n THR 182 Cb 0.54 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1s99 n THR 182 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1s99 s THR 184 N -0.10 0.10 0.03 4.28 -4.23 -0.16 -0.48 115.64 115.07 1s99 s THR 184 Ca 0.00 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1s99 s THR 184 Cb 0.00 -0.32 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1s99 s THR 184 CO 0.00 -0.46 -0.04 0.68 -0.54 0.00 0.00 174.62 174.25 1s99 s VAL 185 N -1.45 0.25 -0.26 2.29 -7.23 0.05 -1.87 120.40 112.18 1s99 s VAL 185 Ca -0.16 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.08 1s99 s VAL 185 Cb -0.09 -0.36 0.11 0.00 0.56 0.00 0.00 36.38 36.59 1s99 s VAL 185 CO -0.00 -0.42 0.22 0.21 -0.31 0.00 0.00 175.10 174.80 1s99 s ASN 186 N -1.39 2.14 -0.12 4.85 3.84 -0.33 -1.40 114.94 122.53 1s99 s ASN 186 Ca -0.13 -0.75 0.03 0.00 0.21 0.00 0.00 52.86 52.22 1s99 s ASN 186 Cb -0.09 0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.81 1s99 s ASN 186 CO -0.00 -0.38 -0.21 -0.76 -2.79 0.00 0.00 177.10 172.95 1s99 s LEU 187 N 2.27 2.21 -0.17 3.21 1.02 -1.26 -1.46 118.68 124.50 1s99 s LEU 187 Ca 0.08 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1s99 s LEU 187 Cb -0.15 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.60 1s99 s LEU 187 CO -0.27 0.12 -0.16 -0.55 0.02 0.00 0.00 176.35 175.51 1s99 s SER 188 N 0.56 3.52 -0.05 2.29 0.15 -0.60 -4.35 113.70 115.22 1s99 s SER 188 Ca -0.12 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.03 1s99 s SER 188 Cb -0.17 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 1s99 s SER 188 CO 0.04 0.04 -0.15 0.00 1.20 0.00 0.00 173.24 174.37 1s99 s ALA 189 N 1.06 2.65 -1.46 5.45 0.00 -0.15 -4.02 121.76 125.29 1s99 s ALA 189 Ca -0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1s99 s ALA 189 Cb -0.14 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 22.07 1s99 s ALA 189 CO -0.05 0.56 0.81 0.09 0.00 0.00 0.00 175.76 177.17 1s99 n ASN 190 N 2.28 -5.40 -4.75 0.00 3.02 -1.26 -2.03 115.26 107.11 1s99 n ASN 190 Ca -0.17 -0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 53.48 1s99 n ASN 190 Cb 0.52 -4.33 -0.02 0.00 -0.61 0.00 0.00 39.78 35.34 1s99 n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1s99 s SER 191 N -3.00 6.51 0.00 6.41 0.15 -1.26 -4.09 113.70 118.42 1s99 s SER 191 Ca 0.48 2.84 0.07 0.00 0.70 0.00 0.00 55.95 60.04 1s99 s SER 191 Cb -0.23 -2.64 0.42 0.00 -1.71 0.00 0.00 66.02 61.87 1s99 s SER 191 CO 0.59 -0.79 0.88 -2.65 1.20 0.00 0.00 173.24 172.48