#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exm s HIS 24 N 0.00 2.39 0.20 1.61 0.09 -1.26 -5.10 115.29 113.22 3exm s HIS 24 Ca 0.00 -0.33 -0.26 0.00 -0.00 0.00 0.00 55.06 54.46 3exm s HIS 24 Cb 0.00 -1.26 -0.08 0.00 -0.00 0.00 0.00 32.58 31.24 3exm s HIS 24 CO 0.00 0.40 0.83 -1.58 -0.00 0.00 0.00 174.74 174.39 3exm s TRP 25 N -1.25 3.91 0.41 1.40 0.51 -1.26 -5.05 118.94 117.62 3exm s TRP 25 Ca 0.17 1.72 -0.25 0.00 -2.12 0.00 0.00 56.10 55.62 3exm s TRP 25 Cb -0.10 -2.83 -0.08 0.00 -0.81 0.00 0.00 33.47 29.65 3exm s TRP 25 CO 0.08 0.48 1.18 0.00 -0.51 0.00 0.00 176.95 178.18 3exm s ALA 26 N -1.20 3.12 0.31 0.98 0.00 -1.26 -4.43 121.76 119.29 3exm s ALA 26 Ca 0.38 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 3exm s ALA 26 Cb -0.23 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 3exm s ALA 26 CO 0.28 -0.58 1.08 -2.30 0.00 0.00 0.00 175.76 174.24 3exm n PRO 27 N -0.04 1.56 0.00 0.00 -0.02 -1.26 -1.55 135.00 133.68 3exm n PRO 27 Ca 0.05 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3exm n PRO 27 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3exm n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3exm n GLY 28 N 1.10 2.09 3.72 -1.23 0.00 0.70 -4.98 105.19 106.59 3exm n GLY 28 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3exm n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3exm s SER 29 N -1.70 4.38 -0.19 1.61 0.01 -0.60 -4.65 113.70 112.56 3exm s SER 29 Ca 0.00 2.51 -0.09 0.00 1.31 0.00 0.00 55.95 59.68 3exm s SER 29 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3exm s SER 29 CO 0.00 -2.15 0.09 -1.00 0.41 0.00 0.00 173.24 170.59 3exm s HIS 30 N -1.66 3.31 0.30 2.43 3.76 -1.26 -0.79 115.29 121.38 3exm s HIS 30 Ca 0.79 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.91 3exm s HIS 30 Cb -0.34 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.20 3exm s HIS 30 CO 0.42 0.20 0.19 0.96 -0.85 0.00 0.00 174.74 175.66 3exm s ILE 31 N 0.41 0.18 -0.11 0.60 -4.36 -0.53 -4.98 121.20 112.41 3exm s ILE 31 Ca 0.05 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 3exm s ILE 31 Cb -0.12 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 3exm s ILE 31 CO -0.00 0.00 -0.05 -0.76 0.24 0.00 0.00 174.94 174.36 3exm s LEU 32 N -3.36 3.21 -0.24 0.37 1.43 0.21 -0.89 118.68 119.42 3exm s LEU 32 Ca 0.37 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 3exm s LEU 32 Cb 0.04 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3exm s LEU 32 CO 0.20 0.27 0.01 0.86 0.23 0.00 0.00 176.35 177.92 3exm s TRP 33 N -0.24 3.04 0.05 0.29 -0.11 -0.15 -0.96 118.94 120.86 3exm s TRP 33 Ca 0.04 -0.82 0.06 0.00 1.22 0.00 0.00 56.10 56.60 3exm s TRP 33 Cb -0.13 -2.17 -0.03 0.00 -1.50 0.00 0.00 33.47 29.65 3exm s TRP 33 CO 0.02 -0.50 -0.16 1.03 -4.62 0.00 0.00 176.95 172.72 3exm s ARG 34 N 1.52 0.99 -0.04 5.86 0.52 -0.09 -0.99 118.95 126.72 3exm s ARG 34 Ca 0.05 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.45 3exm s ARG 34 Cb -0.15 -1.05 -0.02 0.00 0.52 0.00 0.00 34.95 34.26 3exm s ARG 34 CO -0.00 0.25 -0.25 0.71 0.02 0.00 0.00 175.30 176.03 3exm s TYR 35 N -0.98 2.36 0.65 -0.53 2.02 -0.23 -1.00 117.35 119.63 3exm s TYR 35 Ca 0.02 -0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 56.02 3exm s TYR 35 Cb -0.09 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3exm s TYR 35 CO 0.02 -0.12 1.07 1.03 -1.57 0.00 0.00 175.55 175.97 3exm s ARG 36 N -0.40 3.06 0.76 -0.62 0.52 -0.29 -1.15 118.95 120.84 3exm s ARG 36 Ca 0.04 1.14 -0.15 0.00 -0.52 0.00 0.00 55.73 56.23 3exm s ARG 36 Cb -0.12 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.36 3exm s ARG 36 CO 0.01 -1.01 0.80 -0.85 0.02 0.00 0.00 175.30 174.27 3exm n GLU 37 N -2.55 0.30 -1.96 3.54 0.28 0.85 -4.61 120.64 116.50 3exm n GLU 37 Ca 0.08 0.16 -0.42 0.00 -0.16 0.00 0.00 57.16 56.82 3exm n GLU 37 Cb 0.53 -2.09 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 3exm n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3exm s ASN 38 N -1.71 6.63 -1.52 -1.84 0.02 -1.26 -3.01 114.94 112.26 3exm s ASN 38 Ca 0.69 2.37 -0.02 0.00 -1.02 0.00 0.00 52.86 54.88 3exm s ASN 38 Cb -0.32 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.40 3exm s ASN 38 CO 0.55 -0.91 0.25 0.61 0.02 0.00 0.00 177.10 177.62 3exm n GLY 39 N 4.08 -0.41 3.49 0.66 0.00 -1.26 -4.98 105.19 106.77 3exm n GLY 39 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 3exm n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3exm s GLY 40 N -2.41 0.38 0.25 -0.02 0.00 -1.16 -5.08 107.32 99.28 3exm s GLY 40 Ca 0.12 -0.73 0.24 0.00 0.00 0.00 0.00 44.72 44.35 3exm s GLY 40 CO 0.15 -0.61 1.45 -0.56 0.00 0.00 0.00 173.10 173.53 3exm h PRO 41 N 2.33 0.00 -6.71 2.90 0.13 -1.94 -3.37 132.00 125.34 3exm h PRO 41 Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 3exm h PRO 41 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 3exm h PRO 41 CO 0.40 0.00 0.17 -1.01 -0.23 0.00 0.00 178.00 177.33 3exm s HIS 42 N -3.21 3.56 0.08 1.56 3.76 -1.26 -4.87 115.29 114.91 3exm s HIS 42 Ca 0.06 1.44 -0.31 0.00 -0.15 0.00 0.00 55.06 56.10 3exm s HIS 42 Cb 0.10 -2.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.04 3exm s HIS 42 CO 0.69 0.21 1.31 0.08 -0.85 0.00 0.00 174.74 176.19 3exm s VAL 43 N -1.71 3.66 -0.01 -0.90 1.01 -1.26 -0.10 120.40 121.08 3exm s VAL 43 Ca 0.49 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.71 3exm s VAL 43 Cb -0.15 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 3exm s VAL 43 CO 0.20 0.08 0.15 0.00 0.00 0.00 0.00 175.10 175.53 3exm n HIS 44 N 4.11 0.00 -4.64 5.22 1.44 -0.30 -4.76 115.22 116.28 3exm n HIS 44 Ca 0.11 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.53 3exm n HIS 44 Cb 0.44 -0.17 -0.17 0.00 0.12 0.00 0.00 29.99 30.21 3exm n HIS 44 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3exm s ILE 45 N -2.49 1.60 -0.06 0.61 1.01 -0.75 -2.84 121.20 118.27 3exm s ILE 45 Ca -0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3exm s ILE 45 Cb 0.05 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 41.11 3exm s ILE 45 CO 0.30 0.46 0.04 0.00 0.00 0.00 0.00 174.94 175.75 3exm s ALA 46 N 0.79 0.39 -0.23 9.38 0.00 -0.76 -1.07 121.76 130.27 3exm s ALA 46 Ca -0.10 0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3exm s ALA 46 Cb -0.16 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.33 3exm s ALA 46 CO 0.01 -0.53 -0.06 1.03 0.00 0.00 0.00 175.76 176.21 3exm s ARG 47 N 2.11 1.70 0.19 0.00 0.52 -0.16 -1.08 118.95 122.23 3exm s ARG 47 Ca 0.05 -0.97 -0.32 0.00 -0.52 0.00 0.00 55.73 53.98 3exm s ARG 47 Cb -0.12 -2.55 -0.11 0.00 0.52 0.00 0.00 34.95 32.69 3exm s ARG 47 CO -0.04 -0.57 1.60 -2.14 0.02 0.00 0.00 175.30 174.18 3exm s PRO 48 N 1.39 4.19 0.06 3.54 0.02 -1.26 -0.98 135.00 141.96 3exm s PRO 48 Ca -0.05 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 63.40 3exm s PRO 48 Cb -0.18 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3exm s PRO 48 CO -0.06 -0.64 -0.04 0.14 -0.33 0.00 0.00 177.00 176.07 3exm s VAL 49 N 1.03 0.33 -0.20 3.83 -7.23 -0.07 -4.70 120.40 113.40 3exm s VAL 49 Ca 0.70 -1.73 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 3exm s VAL 49 Cb -0.45 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 3exm s VAL 49 CO 0.33 -0.90 0.11 -0.89 -0.31 0.00 0.00 175.10 173.43 3exm s THR 50 N -3.54 5.19 -0.00 5.32 2.01 -0.44 -1.45 115.64 122.72 3exm s THR 50 Ca 0.05 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 3exm s THR 50 Cb 0.05 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 3exm s THR 50 CO -0.08 0.44 1.53 -0.69 -0.69 0.00 0.00 174.62 175.13 3exm s VAL 51 N 0.45 3.51 -0.17 3.82 1.01 0.03 -0.71 120.40 128.34 3exm s VAL 51 Ca 0.06 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3exm s VAL 51 Cb -0.12 -3.54 -0.23 0.00 0.00 0.00 0.00 36.38 32.50 3exm s VAL 51 CO -0.01 -0.02 0.16 1.33 0.00 0.00 0.00 175.10 176.56 3exm n VAL 52 N 4.93 1.63 -3.70 2.92 0.24 0.43 -0.21 118.33 124.58 3exm n VAL 52 Ca 0.15 -0.65 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 3exm n VAL 52 Cb 0.43 -1.46 -0.09 0.00 -1.47 0.00 0.00 33.84 31.25 3exm n VAL 52 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3exm s ARG 53 N -2.54 0.65 -0.27 7.34 3.52 -0.95 -4.69 118.95 122.00 3exm s ARG 53 Ca -0.24 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 3exm s ARG 53 Cb 0.08 0.31 0.15 0.00 -1.56 0.00 0.00 34.95 33.92 3exm s ARG 53 CO 0.72 -0.12 0.38 0.34 -0.81 0.00 0.00 175.30 175.80 3exm s ASP 54 N -0.26 0.54 0.36 -2.12 2.15 -1.25 -0.63 116.67 115.46 3exm s ASP 54 Ca -0.04 -0.24 -0.01 0.00 0.43 0.00 0.00 52.55 52.68 3exm s ASP 54 Cb -0.03 1.01 0.01 0.00 -0.30 0.00 0.00 42.92 43.60 3exm s ASP 54 CO 0.03 -0.34 0.48 -0.90 -0.17 0.00 0.00 175.17 174.27 3exm n ASP 55 N 5.35 -1.34 0.25 -0.34 3.85 -0.25 -4.62 116.55 119.45 3exm n ASP 55 Ca -0.01 -2.94 0.18 0.00 -0.71 0.00 0.00 54.79 51.31 3exm n ASP 55 Cb 0.49 2.53 0.86 0.00 -1.35 0.00 0.00 41.12 43.66 3exm n ASP 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3exm h ALA 56 N 2.04 1.59 0.00 2.12 0.00 -2.01 -2.44 119.26 120.57 3exm h ALA 56 Ca -0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3exm h ALA 56 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3exm h ALA 56 CO 0.37 -0.34 -1.86 -0.25 0.00 0.00 0.00 179.25 177.17 3exm n ASP 57 N -3.36 0.18 -3.63 0.00 8.00 -1.26 -4.53 116.55 111.94 3exm n ASP 57 Ca 0.01 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 3exm n ASP 57 Cb 0.37 1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 42.95 3exm n ASP 57 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3exm s LEU 58 N -4.83 -0.58 -0.18 0.64 2.96 -0.92 -4.41 118.68 111.37 3exm s LEU 58 Ca -0.07 1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.92 3exm s LEU 58 Cb 0.12 2.13 -0.02 0.00 0.50 0.00 0.00 46.19 48.92 3exm s LEU 58 CO 0.88 -0.19 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.45 3exm s LEU 59 N 0.30 3.08 -0.06 -0.68 2.96 -0.04 -1.09 118.68 123.15 3exm s LEU 59 Ca 0.02 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3exm s LEU 59 Cb -0.05 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3exm s LEU 59 CO -0.03 0.09 -0.15 0.00 -1.32 0.00 0.00 176.35 174.94 3exm s ALA 60 N 0.80 1.47 0.11 5.97 0.00 0.19 -0.31 121.76 130.00 3exm s ALA 60 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3exm s ALA 60 Cb -0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3exm s ALA 60 CO 0.02 0.19 -0.09 0.14 0.00 0.00 0.00 175.76 176.02 3exm s VAL 61 N 0.40 0.91 -0.17 0.00 -7.23 -0.07 -0.42 120.40 113.82 3exm s VAL 61 Ca -0.12 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3exm s VAL 61 Cb -0.15 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 3exm s VAL 61 CO 0.04 -0.72 -0.14 0.86 -0.31 0.00 0.00 175.10 174.83 3exm s TRP 62 N -3.10 2.82 -0.42 2.82 -0.00 0.11 -0.78 118.94 120.39 3exm s TRP 62 Ca 0.11 -1.07 -0.09 0.00 -0.00 0.00 0.00 56.10 55.04 3exm s TRP 62 Cb 0.01 -1.93 0.08 0.00 -0.00 0.00 0.00 33.47 31.63 3exm s TRP 62 CO -0.02 -0.51 0.26 -1.17 -0.00 0.00 0.00 176.95 175.51 3exm s LEU 63 N 0.97 5.14 0.43 5.86 2.96 0.12 -1.33 118.68 132.83 3exm s LEU 63 Ca -0.02 -1.48 -0.22 0.00 -0.22 0.00 0.00 54.13 52.19 3exm s LEU 63 Cb -0.15 -1.99 -0.10 0.00 0.50 0.00 0.00 46.19 44.45 3exm s LEU 63 CO -0.02 -0.53 0.98 0.00 -1.32 0.00 0.00 176.35 175.45 3exm s ALA 64 N 1.43 3.02 0.40 5.97 0.00 -1.26 -1.23 121.76 130.09 3exm s ALA 64 Ca 0.03 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 3exm s ALA 64 Cb -0.23 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3exm s ALA 64 CO 0.02 0.01 1.26 -2.30 0.00 0.00 0.00 175.76 174.75 3exm n PRO 65 N -0.55 1.95 -0.38 0.00 -0.02 -1.26 -2.28 135.00 132.46 3exm n PRO 65 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3exm n PRO 65 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3exm n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3exm n GLY 66 N 0.83 1.60 3.75 -1.23 0.00 -0.49 -4.97 105.19 104.67 3exm n GLY 66 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3exm n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3exm s THR 67 N -3.14 2.29 -0.13 2.61 2.01 -0.97 -4.57 115.64 113.74 3exm s THR 67 Ca 0.00 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 3exm s THR 67 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3exm s THR 67 CO 0.00 0.04 1.33 -0.70 -0.69 0.00 0.00 174.62 174.61 3exm s GLU 68 N -0.63 4.23 0.38 4.92 2.12 -1.26 -0.29 118.70 128.17 3exm s GLU 68 Ca 0.61 1.77 0.05 0.00 0.36 0.00 0.00 54.97 57.75 3exm s GLU 68 Cb -0.45 -3.79 -0.07 0.00 0.26 0.00 0.00 34.13 30.08 3exm s GLU 68 CO 0.48 -0.71 0.03 0.00 -0.54 0.00 0.00 175.26 174.52 3exm s VAL 70 N -2.97 3.14 0.05 0.00 1.01 -0.24 -0.68 120.40 120.71 3exm s VAL 70 Ca 0.33 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3exm s VAL 70 Cb 0.09 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3exm s VAL 70 CO 0.16 0.57 -0.04 -1.59 0.00 0.00 0.00 175.10 174.20 3exm s LYS 71 N -0.41 0.52 0.45 2.72 -2.85 -0.45 -1.82 119.74 117.90 3exm s LYS 71 Ca 0.05 -0.94 -0.22 0.00 -1.00 0.00 0.00 55.97 53.87 3exm s LYS 71 Cb -0.12 0.01 -0.09 0.00 -2.06 0.00 0.00 37.83 35.57 3exm s LYS 71 CO 0.02 -0.04 1.02 -1.25 0.10 0.00 0.00 175.35 175.20 3exm s PRO 72 N -2.60 4.00 0.13 1.78 0.04 -1.13 -0.28 135.00 136.93 3exm s PRO 72 Ca -0.04 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 3exm s PRO 72 Cb -0.02 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3exm s PRO 72 CO -0.04 -0.25 0.04 0.14 0.04 0.00 0.00 177.00 176.92 3exm s VAL 73 N -1.93 0.21 0.78 -0.36 -7.23 -0.58 -4.60 120.40 106.69 3exm s VAL 73 Ca 0.63 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 3exm s VAL 73 Cb -0.16 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 34.85 3exm s VAL 73 CO 0.20 -0.53 1.11 -0.76 -0.31 0.00 0.00 175.10 174.81 3exm s LEU 74 N -3.05 3.06 0.60 1.32 1.43 0.15 -0.93 118.68 121.27 3exm s LEU 74 Ca 0.22 1.96 0.29 0.00 -1.03 0.00 0.00 54.13 55.57 3exm s LEU 74 Cb 0.07 -4.54 1.52 0.00 0.03 0.00 0.00 46.19 43.27 3exm s LEU 74 CO 0.01 -2.21 1.92 0.00 0.23 0.00 0.00 176.35 176.30 3exm h ALA 75 N -1.06 1.97 -0.35 4.21 0.00 -1.24 0.76 119.26 123.55 3exm h ALA 75 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3exm h ALA 75 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3exm h ALA 75 CO 0.50 -0.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.75 3exm n ASP 76 N -3.56 2.09 0.00 0.00 3.85 -1.26 -4.90 116.55 112.77 3exm n ASP 76 Ca 0.05 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 3exm n ASP 76 Cb 0.57 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3exm n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3exm n GLY 77 N 0.98 2.74 3.79 6.12 0.00 0.27 -5.03 105.19 114.06 3exm n GLY 77 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3exm n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3exm s THR 78 N -2.44 3.61 0.23 2.61 -4.23 -1.25 -4.62 115.64 109.54 3exm s THR 78 Ca 0.00 0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 60.90 3exm s THR 78 Cb 0.00 -3.24 -0.09 0.00 1.34 0.00 0.00 72.50 70.51 3exm s THR 78 CO 0.00 -0.52 1.23 -2.84 -0.54 0.00 0.00 174.62 171.96 3exm s PRO 79 N -4.32 4.46 0.22 3.99 0.02 -1.26 -0.67 135.00 137.44 3exm s PRO 79 Ca 0.64 1.98 -0.08 0.00 0.02 0.00 0.00 61.00 63.55 3exm s PRO 79 Cb -0.17 -3.19 0.34 0.00 0.02 0.00 0.00 34.50 31.50 3exm s PRO 79 CO 0.43 -0.10 1.73 0.28 -0.33 0.00 0.00 177.00 179.01 3exm h VAL 80 N 3.52 0.71 0.00 3.83 2.07 -1.91 -2.28 116.25 122.19 3exm h VAL 80 Ca -0.46 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3exm h VAL 80 Cb 1.22 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3exm h VAL 80 CO 0.73 0.07 -0.00 1.12 0.02 0.00 0.00 177.57 179.51 3exm h HIS 81 N 0.40 0.00 0.00 1.57 2.07 -1.96 -2.15 115.15 115.09 3exm h HIS 81 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 3exm h HIS 81 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 3exm h HIS 81 CO -0.18 0.00 -0.81 1.28 -3.07 0.00 0.00 177.93 175.15 3exm n LEU 82 N -3.10 0.64 -4.73 6.12 4.77 -0.86 -4.83 117.00 115.01 3exm n LEU 82 Ca -0.02 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 3exm n LEU 82 Cb 0.12 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3exm n LEU 82 CO 0.22 0.02 1.06 -0.70 -1.33 0.00 0.00 177.39 176.65 3exm s GLU 83 N -3.16 4.33 0.52 3.23 2.56 -0.81 -4.98 118.70 120.39 3exm s GLU 83 Ca 0.06 2.11 -0.21 0.00 0.00 0.00 0.00 54.97 56.93 3exm s GLU 83 Cb 0.14 -3.21 -0.07 0.00 2.00 0.00 0.00 34.13 32.99 3exm s GLU 83 CO 0.76 -0.39 1.06 -2.30 -0.56 0.00 0.00 175.26 173.83 3exm n PRO 84 N 3.38 1.25 -0.34 4.30 -0.02 -1.26 -4.54 135.00 137.78 3exm n PRO 84 Ca 0.10 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 3exm n PRO 84 Cb 0.42 -2.21 0.37 0.00 -0.02 0.00 0.00 33.50 32.05 3exm n PRO 84 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3exm h LEU 85 N 1.09 0.71 -1.96 2.45 5.85 -1.94 0.14 115.31 121.64 3exm h LEU 85 Ca -0.48 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.45 3exm h LEU 85 Cb 1.34 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3exm h LEU 85 CO 0.54 0.23 0.31 0.00 -0.34 0.00 0.00 178.44 179.18 3exm h ALA 86 N 1.65 2.35 0.00 1.25 0.00 -2.01 -2.96 119.26 119.55 3exm h ALA 86 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3exm h ALA 86 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3exm h ALA 86 CO -0.36 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 178.67 3exm n THR 87 N -4.42 0.00 -0.23 0.00 -2.24 -0.65 -4.80 114.28 101.93 3exm n THR 87 Ca 0.07 -0.36 0.27 0.00 -2.27 0.00 0.00 64.05 61.76 3exm n THR 87 Cb 0.48 1.25 0.66 0.00 -2.10 0.00 0.00 70.33 70.63 3exm n THR 87 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3exm h ARG 88 N 0.00 0.12 -0.28 -0.78 2.43 -0.59 -0.11 114.38 115.17 3exm h ARG 88 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3exm h ARG 88 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3exm h ARG 88 CO 0.00 0.08 0.00 0.66 -1.51 0.00 0.00 179.97 179.20 3exm n TYR 89 N -4.34 0.52 -0.01 2.20 4.01 -1.26 -4.56 117.16 113.72 3exm n TYR 89 Ca 0.21 -0.61 -0.02 0.00 -0.16 0.00 0.00 57.90 57.32 3exm n TYR 89 Cb 0.95 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.86 3exm n TYR 89 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3exm n THR 90 N 0.11 0.18 -2.19 -0.72 -2.24 -0.17 -5.04 114.28 104.21 3exm n THR 90 Ca 0.13 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 3exm n THR 90 Cb 0.53 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 3exm n THR 90 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3exm s LYS 91 N -2.06 4.29 0.43 -0.78 2.20 -0.51 -4.96 119.74 118.36 3exm s LYS 91 Ca -0.02 2.09 -0.26 0.00 -0.36 0.00 0.00 55.97 57.42 3exm s LYS 91 Cb 0.01 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 33.26 3exm s LYS 91 CO 0.09 -0.19 1.36 -2.30 -0.36 0.00 0.00 175.35 173.95 3exm n PRO 92 N 0.64 2.13 -4.48 4.03 -0.02 -1.26 -4.90 135.00 131.13 3exm n PRO 92 Ca 0.01 0.76 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 3exm n PRO 92 Cb 0.43 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3exm n PRO 92 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3exm s ARG 93 N -2.31 1.73 0.00 -0.52 0.52 -1.26 -0.83 118.95 116.28 3exm s ARG 93 Ca 0.61 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 3exm s ARG 93 Cb -0.48 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3exm s ARG 93 CO 0.58 0.29 0.00 -2.37 0.02 0.00 0.00 175.30 173.82 3exm n THR 94 N -0.67 0.00 -4.43 0.02 5.66 -0.10 -4.64 114.28 110.13 3exm n THR 94 Ca -0.05 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.69 3exm n THR 94 Cb 0.61 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.28 3exm n THR 94 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3exm s VAL 95 N -1.86 2.47 -0.02 1.08 -7.23 -1.26 -1.53 120.40 112.06 3exm s VAL 95 Ca 0.00 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 3exm s VAL 95 Cb 0.00 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.72 3exm s VAL 95 CO 0.00 -0.21 0.06 -1.58 -0.31 0.00 0.00 175.10 173.06 3exm s GLN 96 N -2.97 0.07 0.11 4.82 0.74 0.61 -4.84 119.66 118.19 3exm s GLN 96 Ca 0.24 0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 3exm s GLN 96 Cb -0.07 0.03 -0.06 0.00 1.10 0.00 0.00 33.01 34.01 3exm s GLN 96 CO 0.12 -0.01 1.08 1.03 -0.55 0.00 0.00 175.29 176.96 3exm s ARG 97 N 0.05 4.56 -0.10 1.67 0.52 -1.26 -1.34 118.95 123.06 3exm s ARG 97 Ca -0.00 1.64 -0.21 0.00 -0.52 0.00 0.00 55.73 56.64 3exm s ARG 97 Cb -0.01 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 32.17 3exm s ARG 97 CO 0.00 -0.01 0.50 0.34 0.02 0.00 0.00 175.30 176.16 3exm s ASP 98 N 0.37 -0.47 0.49 0.23 2.15 0.15 -4.98 116.67 114.61 3exm s ASP 98 Ca 0.52 0.66 -0.20 0.00 0.43 0.00 0.00 52.55 53.96 3exm s ASP 98 Cb -0.27 0.69 -0.08 0.00 -0.30 0.00 0.00 42.92 42.96 3exm s ASP 98 CO 0.32 -0.38 1.05 -1.10 -0.17 0.00 0.00 175.17 174.88 3exm s GLN 99 N -0.63 3.75 -0.22 4.34 -0.21 -1.26 -0.98 119.66 124.45 3exm s GLN 99 Ca -0.07 1.39 -0.29 0.00 0.02 0.00 0.00 55.36 56.41 3exm s GLN 99 Cb -0.03 -2.08 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 3exm s GLN 99 CO 0.04 -0.48 1.76 -0.46 -2.12 0.00 0.00 175.29 174.03 3exm s TRP 100 N -1.95 1.86 0.62 0.91 -0.11 0.60 -4.87 118.94 115.99 3exm s TRP 100 Ca 0.68 0.47 -0.10 0.00 1.22 0.00 0.00 56.10 58.38 3exm s TRP 100 Cb -0.17 -4.04 -0.02 0.00 -1.50 0.00 0.00 33.47 27.74 3exm s TRP 100 CO 0.21 -3.30 1.00 -0.59 -4.62 0.00 0.00 176.95 169.64 3exm s PHE 101 N 5.88 3.48 0.00 5.86 -0.12 -1.26 -1.40 117.98 130.42 3exm s PHE 101 Ca 0.78 1.07 0.00 0.00 -0.05 0.00 0.00 56.93 58.73 3exm s PHE 101 Cb -0.27 -2.77 0.00 0.00 -0.63 0.00 0.00 43.02 39.35 3exm s PHE 101 CO 0.32 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 175.10 3exm n GLY 102 N -2.74 0.36 3.88 1.99 0.00 -1.26 -4.83 105.19 102.59 3exm n GLY 102 Ca 0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3exm n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3exm s THR 103 N 0.00 4.74 0.73 2.61 -4.23 -1.26 -4.58 115.64 113.65 3exm s THR 103 Ca 0.00 0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 61.16 3exm s THR 103 Cb 0.00 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 70.01 3exm s THR 103 CO 0.00 -1.06 1.07 -0.83 -0.54 0.00 0.00 174.62 173.26 3exm s GLY 104 N -4.10 1.65 -0.00 3.99 0.00 -1.26 -4.73 107.32 102.86 3exm s GLY 104 Ca 0.54 -0.01 0.07 0.00 0.00 0.00 0.00 44.72 45.31 3exm s GLY 104 CO 0.51 0.34 -0.21 0.54 0.00 0.00 0.00 173.10 174.27 3exm s VAL 105 N -3.08 1.69 -0.21 1.40 0.11 -0.36 -4.58 120.40 115.36 3exm s VAL 105 Ca 0.59 -0.97 -0.10 0.00 -2.93 0.00 0.00 61.98 58.57 3exm s VAL 105 Cb -0.14 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.24 3exm s VAL 105 CO 0.55 0.43 0.15 -0.22 -3.33 0.00 0.00 175.10 172.67 3exm s LEU 106 N -0.63 4.18 -0.09 2.54 2.96 -1.17 -0.70 118.68 125.76 3exm s LEU 106 Ca 0.08 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3exm s LEU 106 Cb -0.08 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3exm s LEU 106 CO -0.00 0.14 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.52 3exm s LYS 107 N 0.59 2.99 -0.06 1.98 1.02 0.04 -0.39 119.74 125.91 3exm s LYS 107 Ca 0.08 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.46 3exm s LYS 107 Cb -0.12 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 3exm s LYS 107 CO 0.00 0.45 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.24 3exm s LEU 108 N -0.25 1.74 -0.09 3.17 1.43 0.36 -0.89 118.68 124.14 3exm s LEU 108 Ca 0.02 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3exm s LEU 108 Cb -0.13 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.30 3exm s LEU 108 CO 0.03 0.07 0.18 0.00 0.23 0.00 0.00 176.35 176.86 3exm s ALA 109 N 0.45 -0.32 -0.02 4.21 0.00 0.57 -0.24 121.76 126.41 3exm s ALA 109 Ca -0.11 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 3exm s ALA 109 Cb -0.14 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 3exm s ALA 109 CO 0.03 -0.37 0.96 1.03 0.00 0.00 0.00 175.76 177.41 3exm s ARG 110 N 1.75 4.53 0.12 0.00 0.52 -1.26 -0.87 118.95 123.74 3exm s ARG 110 Ca -0.04 1.37 -0.35 0.00 -0.52 0.00 0.00 55.73 56.20 3exm s ARG 110 Cb -0.12 -3.47 -0.17 0.00 0.52 0.00 0.00 34.95 31.71 3exm s ARG 110 CO -0.07 -0.09 1.22 -2.30 0.02 0.00 0.00 175.30 174.08 3exm n PRO 111 N 4.09 1.04 0.00 3.54 -0.02 -1.26 -1.81 135.00 140.59 3exm n PRO 111 Ca 0.06 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3exm n PRO 111 Cb 0.51 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3exm n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3exm n GLY 112 N 2.20 2.41 3.80 -1.23 0.00 -1.26 -5.02 105.19 106.09 3exm n GLY 112 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3exm n GLY 112 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3exm s GLU 113 N -0.24 4.38 -0.20 1.61 2.12 -0.75 -4.80 118.70 120.83 3exm s GLU 113 Ca 0.00 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3exm s GLU 113 Cb 0.00 -3.17 0.20 0.00 0.26 0.00 0.00 34.13 31.42 3exm s GLU 113 CO 0.00 0.55 1.67 0.00 -0.54 0.00 0.00 175.26 176.94 3exm n ALA 114 N 1.42 4.21 -3.49 6.30 0.00 -1.26 -4.09 120.51 123.60 3exm n ALA 114 Ca -0.06 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 52.15 3exm n ALA 114 Cb 0.50 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3exm n ALA 114 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3exm s TRP 115 N -1.26 -0.44 0.28 0.00 -2.14 -1.25 -1.34 118.94 112.79 3exm s TRP 115 Ca 0.22 0.23 0.10 0.00 2.66 0.00 0.00 56.10 59.30 3exm s TRP 115 Cb 0.17 0.57 -0.05 0.00 -3.10 0.00 0.00 33.47 31.06 3exm s TRP 115 CO 0.02 -0.79 -0.14 -1.54 -2.66 0.00 0.00 176.95 171.84 3exm s SER 116 N -2.69 3.25 -0.12 -2.66 1.04 -0.81 -4.57 113.70 107.15 3exm s SER 116 Ca 0.03 -1.09 0.03 0.00 0.48 0.00 0.00 55.95 55.40 3exm s SER 116 Cb -0.01 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3exm s SER 116 CO -0.10 -0.13 -0.22 -0.69 0.98 0.00 0.00 173.24 173.09 3exm s VAL 117 N -2.72 1.96 0.01 5.02 1.01 0.67 -0.54 120.40 125.80 3exm s VAL 117 Ca 0.29 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3exm s VAL 117 Cb -0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3exm s VAL 117 CO 0.13 0.53 -0.11 0.26 0.00 0.00 0.00 175.10 175.91 3exm s TRP 118 N 0.63 2.76 -0.14 5.22 0.51 0.54 -0.49 118.94 127.97 3exm s TRP 118 Ca -0.12 -0.12 -0.04 0.00 -2.12 0.00 0.00 56.10 53.70 3exm s TRP 118 Cb -0.16 -1.57 -0.03 0.00 -0.81 0.00 0.00 33.47 30.89 3exm s TRP 118 CO 0.03 0.31 -0.01 -0.51 -0.51 0.00 0.00 176.95 176.26 3exm s LEU 119 N -1.31 3.46 -0.09 2.99 1.02 0.47 -0.01 118.68 125.22 3exm s LEU 119 Ca 0.15 -0.01 0.03 0.00 0.02 0.00 0.00 54.13 54.33 3exm s LEU 119 Cb -0.11 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 3exm s LEU 119 CO 0.06 0.23 -0.19 -0.36 0.02 0.00 0.00 176.35 176.11 3exm s PHE 120 N 0.01 2.64 0.16 0.29 0.08 -0.50 -3.04 117.98 117.62 3exm s PHE 120 Ca 0.02 -0.63 0.09 0.00 0.12 0.00 0.00 56.93 56.53 3exm s PHE 120 Cb -0.13 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3exm s PHE 120 CO 0.02 -0.16 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.20 3exm s TRP 121 N -0.03 1.92 0.53 0.36 0.51 -1.26 -0.52 118.94 120.45 3exm s TRP 121 Ca -0.05 -0.44 -0.02 0.00 -2.12 0.00 0.00 56.10 53.46 3exm s TRP 121 Cb -0.15 -0.97 0.01 0.00 -0.81 0.00 0.00 33.47 31.56 3exm s TRP 121 CO 0.05 0.35 0.79 -0.51 -0.51 0.00 0.00 176.95 177.12 3exm s ASP 122 N -2.56 5.59 0.38 2.95 1.01 0.11 -4.71 116.67 119.44 3exm s ASP 122 Ca 0.15 0.40 -0.25 0.00 0.71 0.00 0.00 52.55 53.57 3exm s ASP 122 Cb -0.07 -1.46 -0.12 0.00 1.01 0.00 0.00 42.92 42.28 3exm s ASP 122 CO 0.07 -0.96 0.82 -2.65 0.21 0.00 0.00 175.17 172.66 3exm n PRO 123 N -2.36 0.99 -0.81 8.23 -0.02 -1.26 -1.92 135.00 137.85 3exm n PRO 123 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3exm n PRO 123 Cb 0.58 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3exm n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3exm n GLY 124 N 1.45 0.55 3.76 -1.23 0.00 -1.26 -3.94 105.19 104.52 3exm n GLY 124 Ca 0.11 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 3exm n GLY 124 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3exm n TRP 125 N -2.81 -2.43 -2.77 1.61 7.02 -0.85 -4.93 117.44 112.29 3exm n TRP 125 Ca 0.00 0.93 -0.43 0.00 -1.02 0.00 0.00 57.50 56.99 3exm n TRP 125 Cb 0.00 -4.43 -0.04 0.00 -2.42 0.00 0.00 31.31 24.42 3exm n TRP 125 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3exm s ARG 126 N -6.36 3.48 0.21 -0.99 3.52 -0.81 -4.89 118.95 113.10 3exm s ARG 126 Ca 0.51 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 3exm s ARG 126 Cb -0.24 -3.98 -0.10 0.00 -1.56 0.00 0.00 34.95 29.07 3exm s ARG 126 CO 0.79 -1.40 1.43 0.12 -0.81 0.00 0.00 175.30 175.43 3exm s PHE 127 N 4.08 3.09 -0.18 5.12 5.36 -1.26 0.04 117.98 134.24 3exm s PHE 127 Ca 0.37 0.99 -0.14 0.00 -0.96 0.00 0.00 56.93 57.19 3exm s PHE 127 Cb -0.10 -3.78 -0.07 0.00 -0.34 0.00 0.00 43.02 38.72 3exm s PHE 127 CO 0.24 -2.61 -0.30 1.17 -1.46 0.00 0.00 175.22 172.26 3exm n LYS 128 N 2.82 0.48 -3.55 10.12 4.81 0.32 -4.84 118.16 128.31 3exm n LYS 128 Ca 0.08 0.20 -0.08 0.00 -0.87 0.00 0.00 58.31 57.64 3exm n LYS 128 Cb 0.41 -1.32 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 3exm n LYS 128 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3exm s ASN 129 N -6.47 -0.30 0.21 3.14 4.22 -1.01 -4.37 114.94 110.36 3exm s ASN 129 Ca -0.29 0.11 -0.15 0.00 -2.14 0.00 0.00 52.86 50.39 3exm s ASN 129 Cb 0.08 0.29 -0.08 0.00 1.28 0.00 0.00 41.25 42.82 3exm s ASN 129 CO 0.39 -0.42 0.63 0.26 -2.04 0.00 0.00 177.10 175.91 3exm s TRP 130 N -2.32 3.55 -0.18 1.54 0.51 -0.45 -1.41 118.94 120.17 3exm s TRP 130 Ca 0.04 1.14 0.00 0.00 -2.12 0.00 0.00 56.10 55.17 3exm s TRP 130 Cb -0.01 -2.45 0.04 0.00 -0.81 0.00 0.00 33.47 30.25 3exm s TRP 130 CO -0.05 0.32 -0.08 -0.47 -0.51 0.00 0.00 176.95 176.16 3exm s TYR 131 N -1.63 2.07 -0.36 -1.98 5.04 0.98 -0.87 117.35 120.60 3exm s TYR 131 Ca 0.44 -1.34 -0.18 0.00 -2.44 0.00 0.00 57.07 53.55 3exm s TYR 131 Cb -0.14 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.68 3exm s TYR 131 CO 0.20 -0.68 0.50 0.08 -1.34 0.00 0.00 175.55 174.31 3exm s VAL 132 N 1.51 5.02 -0.59 3.14 1.01 0.97 -0.34 120.40 131.12 3exm s VAL 132 Ca -0.00 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 3exm s VAL 132 Cb -0.16 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.38 3exm s VAL 132 CO -0.08 -0.26 0.58 0.21 0.00 0.00 0.00 175.10 175.55 3exm s ASN 133 N 1.78 6.28 0.20 3.32 2.47 0.30 -1.49 114.94 127.81 3exm s ASN 133 Ca 0.18 -1.87 -0.31 0.00 0.42 0.00 0.00 52.86 51.27 3exm s ASN 133 Cb -0.16 -2.23 -0.10 0.00 -1.45 0.00 0.00 41.25 37.32 3exm s ASN 133 CO 0.14 -0.86 1.54 -0.76 -3.72 0.00 0.00 177.10 173.44 3exm s LEU 134 N 1.56 4.37 0.12 3.21 1.43 -1.23 -1.92 118.68 126.22 3exm s LEU 134 Ca 0.07 2.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.59 3exm s LEU 134 Cb -0.26 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.43 3exm s LEU 134 CO 0.02 -0.81 0.80 -1.83 0.23 0.00 0.00 176.35 174.76 3exm s GLU 135 N 0.57 1.18 0.25 1.70 -1.05 -0.45 -1.57 118.70 119.34 3exm s GLU 135 Ca 0.67 -0.54 -0.31 0.00 -0.15 0.00 0.00 54.97 54.64 3exm s GLU 135 Cb -0.44 0.48 -0.12 0.00 -0.44 0.00 0.00 34.13 33.61 3exm s GLU 135 CO 0.36 -0.53 1.67 0.50 0.95 0.00 0.00 175.26 178.21 3exm s ARG 136 N -3.45 4.12 0.20 -4.83 3.52 -0.52 -3.91 118.95 114.09 3exm s ARG 136 Ca 0.07 2.61 -0.32 0.00 -0.13 0.00 0.00 55.73 57.96 3exm s ARG 136 Cb -0.02 -3.04 -0.15 0.00 -1.56 0.00 0.00 34.95 30.18 3exm s ARG 136 CO -0.05 -0.70 1.19 -2.30 -0.81 0.00 0.00 175.30 172.63 3exm n PRO 137 N 3.05 1.36 -1.70 5.12 -0.02 -1.26 -4.47 135.00 137.09 3exm n PRO 137 Ca 0.12 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3exm n PRO 137 Cb 0.36 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3exm n PRO 137 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3exm n LEU 138 N 1.95 3.77 -4.20 2.45 4.77 -1.26 -4.87 117.00 119.60 3exm n LEU 138 Ca 0.14 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.92 3exm n LEU 138 Cb 0.27 -1.49 -0.15 0.00 -2.33 0.00 0.00 43.42 39.72 3exm n LEU 138 CO 0.61 -0.61 -0.43 0.42 -1.33 0.00 0.00 177.39 176.04 3exm s THR 139 N -1.16 2.76 0.29 -5.08 -4.23 -0.35 -4.72 115.64 103.16 3exm s THR 139 Ca 0.59 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 3exm s THR 139 Cb -0.53 -2.32 -0.09 0.00 1.34 0.00 0.00 72.50 70.89 3exm s THR 139 CO 0.60 0.32 1.09 -0.13 -0.54 0.00 0.00 174.62 175.96 3exm s ARG 140 N 1.34 4.60 0.33 3.99 0.52 -1.26 -1.99 118.95 126.48 3exm s ARG 140 Ca 0.02 1.77 0.07 0.00 -0.52 0.00 0.00 55.73 57.07 3exm s ARG 140 Cb -0.15 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 3exm s ARG 140 CO -0.06 0.19 0.29 1.67 0.02 0.00 0.00 175.30 177.40 3exm s TRP 141 N -1.21 1.71 0.34 -0.53 1.48 0.20 -4.99 118.94 115.95 3exm s TRP 141 Ca 0.46 -1.64 0.10 0.00 -1.06 0.00 0.00 56.10 53.96 3exm s TRP 141 Cb -0.31 -0.68 0.87 0.00 -1.16 0.00 0.00 33.47 32.19 3exm s TRP 141 CO 0.40 -0.88 1.80 1.49 -4.06 0.00 0.00 176.95 175.69 3exm h GLU 142 N 2.14 0.62 -0.16 3.25 4.22 -2.03 -2.51 114.58 120.11 3exm h GLU 142 Ca -0.25 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.15 3exm h GLU 142 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3exm h GLU 142 CO 0.37 0.41 0.00 0.41 -2.18 0.00 0.00 179.01 178.02 3exm n GLY 143 N -1.40 1.12 0.00 1.92 0.00 -1.26 -5.06 105.19 100.51 3exm n GLY 143 Ca 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3exm n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3exm n GLY 144 N 1.26 -0.10 2.96 -0.02 0.00 -0.95 -0.61 105.19 107.74 3exm n GLY 144 Ca 0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 3exm n GLY 144 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3exm s VAL 145 N -4.00 0.54 0.08 1.61 -7.23 -0.14 -0.63 120.40 110.63 3exm s VAL 145 Ca 0.00 -0.25 0.09 0.00 -1.81 0.00 0.00 61.98 60.01 3exm s VAL 145 Cb 0.00 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 3exm s VAL 145 CO 0.00 0.17 -0.24 -1.81 -0.31 0.00 0.00 175.10 172.91 3exm s ASP 146 N 0.09 2.90 0.25 4.85 1.11 -0.84 -0.91 116.67 124.11 3exm s ASP 146 Ca -0.01 -0.64 -0.03 0.00 0.18 0.00 0.00 52.55 52.06 3exm s ASP 146 Cb -0.05 -0.22 0.01 0.00 1.07 0.00 0.00 42.92 43.73 3exm s ASP 146 CO -0.00 0.17 0.38 -0.24 1.18 0.00 0.00 175.17 176.65 3exm n SER 147 N 1.41 -1.06 -3.90 0.27 2.88 -0.17 -1.20 113.62 111.84 3exm n SER 147 Ca -0.18 -2.29 -0.21 0.00 -1.33 0.00 0.00 58.87 54.86 3exm n SER 147 Cb 0.53 1.92 -0.16 0.00 -0.75 0.00 0.00 64.21 65.75 3exm n SER 147 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3exm s GLU 148 N -2.48 0.94 0.37 -1.46 2.02 -1.26 -1.13 118.70 115.70 3exm s GLU 148 Ca 0.19 -0.14 -0.25 0.00 0.02 0.00 0.00 54.97 54.79 3exm s GLU 148 Cb -0.01 -0.93 -0.10 0.00 0.10 0.00 0.00 34.13 33.19 3exm s GLU 148 CO 0.14 -0.08 1.00 0.34 0.02 0.00 0.00 175.26 176.67 3exm s ASP 149 N 0.94 7.02 -0.11 -0.19 2.15 -1.26 -1.44 116.67 123.79 3exm s ASP 149 Ca -0.11 1.93 0.16 0.00 0.43 0.00 0.00 52.55 54.96 3exm s ASP 149 Cb -0.14 -2.58 0.57 0.00 -0.30 0.00 0.00 42.92 40.47 3exm s ASP 149 CO 0.00 -0.30 1.49 1.41 -0.17 0.00 0.00 175.17 177.60 3exm n HIS 150 N 0.15 1.12 0.00 -5.34 8.25 -0.61 -4.90 115.22 113.89 3exm n HIS 150 Ca 0.04 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 3exm n HIS 150 Cb 0.50 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3exm n HIS 150 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3exm n PHE 151 N 0.45 0.00 -2.02 4.41 3.72 -1.26 -4.90 117.46 117.86 3exm n PHE 151 Ca 0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.20 3exm n PHE 151 Cb 0.80 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.31 3exm n PHE 151 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3exm s LEU 152 N 0.00 4.38 0.33 4.37 2.96 -1.26 -4.73 118.68 124.73 3exm s LEU 152 Ca 0.00 2.60 0.03 0.00 -0.22 0.00 0.00 54.13 56.54 3exm s LEU 152 Cb 0.00 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 3exm s LEU 152 CO 0.00 -0.72 0.08 -1.81 -1.32 0.00 0.00 176.35 172.58 3exm s ASP 153 N 0.64 2.20 -0.03 3.68 1.01 -0.37 -3.50 116.67 120.31 3exm s ASP 153 Ca 0.63 -1.43 0.03 0.00 0.71 0.00 0.00 52.55 52.48 3exm s ASP 153 Cb -0.41 0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.59 3exm s ASP 153 CO 0.38 -0.69 -0.10 -0.63 0.21 0.00 0.00 175.17 174.34 3exm s ILE 154 N -3.38 0.87 -0.16 0.77 1.01 -0.55 -0.94 121.20 118.81 3exm s ILE 154 Ca 0.34 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 3exm s ILE 154 Cb 0.07 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 3exm s ILE 154 CO 0.15 0.27 0.03 -0.55 0.00 0.00 0.00 174.94 174.84 3exm s SER 155 N 0.18 5.41 -0.11 3.58 0.15 0.40 -0.02 113.70 123.28 3exm s SER 155 Ca -0.03 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.70 3exm s SER 155 Cb -0.09 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 3exm s SER 155 CO 0.01 0.20 -0.23 -0.69 1.20 0.00 0.00 173.24 173.73 3exm s VAL 156 N 0.20 2.16 0.26 4.45 1.01 -0.05 -1.31 120.40 127.12 3exm s VAL 156 Ca 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3exm s VAL 156 Cb -0.13 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3exm s VAL 156 CO 0.01 0.55 0.41 -1.00 0.00 0.00 0.00 175.10 175.08 3exm s HIS 157 N 0.44 3.47 0.64 5.22 3.76 0.11 -1.34 115.29 127.58 3exm s HIS 157 Ca -0.16 0.15 0.34 0.00 -0.15 0.00 0.00 55.06 55.24 3exm s HIS 157 Cb -0.17 -1.71 1.88 0.00 1.11 0.00 0.00 32.58 33.69 3exm s HIS 157 CO 0.07 0.35 2.13 -1.35 -0.85 0.00 0.00 174.74 175.08 3exm h PRO 158 N 1.25 0.00 -0.07 8.40 0.11 -1.89 0.11 132.00 139.91 3exm h PRO 158 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3exm h PRO 158 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3exm h PRO 158 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3exm n ASP 159 N -3.31 0.47 0.00 -2.05 5.68 -1.26 -4.89 116.55 111.20 3exm n ASP 159 Ca -0.01 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 3exm n ASP 159 Cb 0.27 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3exm n ASP 159 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3exm n ARG 160 N -0.37 0.00 -1.79 0.11 1.74 0.37 -5.04 116.66 111.69 3exm n ARG 160 Ca 0.09 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.87 3exm n ARG 160 Cb 0.11 -2.35 0.06 0.00 -1.02 0.00 0.00 32.46 29.25 3exm n ARG 160 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3exm s THR 161 N -3.78 3.43 0.06 0.55 -4.23 -1.26 -4.82 115.64 105.59 3exm s THR 161 Ca 0.00 0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 3exm s THR 161 Cb 0.00 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.47 3exm s THR 161 CO 0.00 -0.61 0.28 -1.66 -0.54 0.00 0.00 174.62 172.09 3exm s TRP 162 N -3.29 -0.05 0.12 3.99 1.48 -1.26 -0.71 118.94 119.21 3exm s TRP 162 Ca 0.59 -0.15 -0.14 0.00 -1.06 0.00 0.00 56.10 55.33 3exm s TRP 162 Cb -0.12 0.07 0.03 0.00 -1.16 0.00 0.00 33.47 32.29 3exm s TRP 162 CO 0.53 -0.52 0.36 -3.38 -4.06 0.00 0.00 176.95 169.88 3exm s HIS 163 N -2.85 -0.11 0.65 1.66 -3.43 -0.43 -5.00 115.29 105.77 3exm s HIS 163 Ca -0.03 -0.23 -0.14 0.00 -0.80 0.00 0.00 55.06 53.86 3exm s HIS 163 Cb 0.00 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 31.33 3exm s HIS 163 CO -0.05 -0.68 1.06 -1.58 -2.00 0.00 0.00 174.74 171.49 3exm s TRP 164 N -3.82 2.98 0.02 0.38 0.52 -1.26 -0.46 118.94 117.30 3exm s TRP 164 Ca 0.04 1.49 0.03 0.00 0.02 0.00 0.00 56.10 57.67 3exm s TRP 164 Cb 0.02 -2.97 -0.01 0.00 -1.15 0.00 0.00 33.47 29.35 3exm s TRP 164 CO -0.11 -1.24 -0.09 1.03 0.02 0.00 0.00 176.95 176.56 3exm s ARG 165 N -4.48 0.62 -1.47 4.98 0.52 -0.11 -4.73 118.95 114.27 3exm s ARG 165 Ca 0.62 -0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 55.29 3exm s ARG 165 Cb -0.16 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.77 3exm s ARG 165 CO 0.45 0.13 0.26 -0.25 0.02 0.00 0.00 175.30 175.91 3exm n ASP 166 N 2.23 -5.44 -0.33 0.23 10.43 -1.26 -1.23 116.55 121.18 3exm n ASP 166 Ca -0.17 -0.13 0.13 0.00 2.57 0.00 0.00 54.79 57.19 3exm n ASP 166 Cb 0.56 -4.39 0.35 0.00 1.84 0.00 0.00 41.12 39.47 3exm n ASP 166 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3exm h GLU 167 N -0.59 0.72 -0.25 -1.24 5.08 -1.90 -0.75 114.58 115.65 3exm h GLU 167 Ca -0.45 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 57.72 3exm h GLU 167 Cb 1.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3exm h GLU 167 CO 0.51 0.48 -0.46 0.38 -1.00 0.00 0.00 179.01 178.92 3exm h ASP 168 N 0.74 0.71 -0.44 1.42 2.03 -1.98 -0.12 116.42 118.77 3exm h ASP 168 Ca 0.53 -0.34 -0.14 0.00 -0.73 0.00 0.00 57.03 56.35 3exm h ASP 168 Cb 0.85 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 3exm h ASP 168 CO -0.30 1.06 -0.24 -0.33 -1.03 0.00 0.00 179.24 178.39 3exm h GLU 169 N 0.53 0.96 -0.23 4.15 5.08 -1.85 -0.38 114.58 122.84 3exm h GLU 169 Ca 0.03 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 3exm h GLU 169 Cb 1.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3exm h GLU 169 CO 0.09 1.09 0.04 0.35 -1.00 0.00 0.00 179.01 179.58 3exm h PHE 170 N 0.82 0.06 -0.52 4.33 3.57 -0.95 0.05 116.94 124.31 3exm h PHE 170 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3exm h PHE 170 Cb 0.82 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3exm h PHE 170 CO 0.05 0.01 0.32 0.00 -2.23 0.00 0.00 178.31 176.47 3exm h ALA 171 N 1.17 0.66 -0.78 2.41 0.00 -0.89 -2.35 119.26 119.48 3exm h ALA 171 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3exm h ALA 171 Cb 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3exm h ALA 171 CO -0.14 0.05 0.41 0.37 0.00 0.00 0.00 179.25 179.93 3exm h GLN 172 N 0.65 1.11 -0.67 0.00 5.75 -0.78 -1.83 115.11 119.34 3exm h GLN 172 Ca 0.20 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3exm h GLN 172 Cb -0.01 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.29 3exm h GLN 172 CO -0.08 0.84 0.32 0.00 -2.65 0.00 0.00 178.83 177.26 3exm h ALA 173 N 1.21 1.30 -0.05 3.38 0.00 -0.65 -0.76 119.26 123.69 3exm h ALA 173 Ca 0.27 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3exm h ALA 173 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3exm h ALA 173 CO -0.04 0.54 -0.78 1.37 0.00 0.00 0.00 179.25 180.34 3exm h LEU 174 N 0.94 0.44 -1.02 0.00 8.10 -1.11 -0.16 115.31 122.50 3exm h LEU 174 Ca 0.23 -0.31 0.03 0.00 0.11 0.00 0.00 57.88 57.95 3exm h LEU 174 Cb 0.10 -0.13 -0.06 0.00 -0.44 0.00 0.00 40.66 40.14 3exm h LEU 174 CO -0.03 1.06 0.65 -0.09 -4.11 0.00 0.00 178.44 175.92 3exm h ARG 175 N 0.24 1.24 -0.29 0.17 2.43 -0.83 -1.80 114.38 115.54 3exm h ARG 175 Ca -0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3exm h ARG 175 Cb 1.36 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3exm h ARG 175 CO 0.13 0.82 0.00 -0.25 -1.51 0.00 0.00 179.97 179.16 3exm n ASP 176 N -4.43 1.68 -0.27 -3.80 8.00 -0.34 -4.91 116.55 112.49 3exm n ASP 176 Ca 0.13 -1.94 -0.03 0.00 0.71 0.00 0.00 54.79 53.66 3exm n ASP 176 Cb 0.08 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 3exm n ASP 176 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3exm n GLY 177 N 1.03 0.58 0.26 0.44 0.00 -0.68 -4.84 105.19 101.98 3exm n GLY 177 Ca 0.12 -0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.10 3exm n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3exm h LEU 178 N 0.00 0.00 -7.74 0.99 4.07 -1.26 -3.42 115.31 107.95 3exm h LEU 178 Ca -0.07 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.71 3exm h LEU 178 Cb 0.53 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.03 3exm h LEU 178 CO 0.10 0.00 -0.58 -0.04 -1.08 0.00 0.00 178.44 176.84 3exm s MET 179 N -3.81 0.28 0.77 1.13 -1.94 -1.20 -4.77 119.30 109.75 3exm s MET 179 Ca -0.02 -0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 53.65 3exm s MET 179 Cb 0.10 0.12 0.06 0.00 2.01 0.00 0.00 34.83 37.11 3exm s MET 179 CO 0.38 -0.06 1.09 -0.51 -0.01 0.00 0.00 175.02 175.91 3exm s ASP 180 N -0.74 4.70 0.34 3.03 1.11 -1.26 -4.69 116.67 119.16 3exm s ASP 180 Ca -0.08 1.36 0.07 0.00 0.18 0.00 0.00 52.55 54.08 3exm s ASP 180 Cb -0.05 -2.12 0.75 0.00 1.07 0.00 0.00 42.92 42.57 3exm s ASP 180 CO 0.00 -1.84 1.86 1.55 1.18 0.00 0.00 175.17 177.92 3exm h PRO 181 N -1.00 0.75 -0.23 8.23 0.13 -1.99 -1.14 132.00 136.75 3exm h PRO 181 Ca -0.46 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 3exm h PRO 181 Cb 1.26 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3exm h PRO 181 CO 0.59 0.49 -0.33 0.00 -0.23 0.00 0.00 178.00 178.52 3exm h ALA 182 N 1.59 0.34 -0.39 -0.56 0.00 -1.99 -0.32 119.26 117.92 3exm h ALA 182 Ca 0.46 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3exm h ALA 182 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3exm h ALA 182 CO -0.22 0.39 0.11 0.77 0.00 0.00 0.00 179.25 180.30 3exm h SER 183 N 0.32 0.59 -0.68 0.00 0.02 -1.91 -1.68 113.55 110.21 3exm h SER 183 Ca 0.02 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3exm h SER 183 Cb 0.91 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 3exm h SER 183 CO 0.08 0.65 0.40 0.00 -1.14 0.00 0.00 176.83 176.82 3exm h ALA 184 N 0.96 0.89 -0.85 3.77 0.00 -1.15 -1.26 119.26 121.62 3exm h ALA 184 Ca 0.13 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3exm h ALA 184 Cb 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3exm h ALA 184 CO -0.00 0.13 0.54 0.78 0.00 0.00 0.00 179.25 180.70 3exm h GLY 185 N 0.77 1.24 1.19 0.00 0.00 -0.82 -0.90 103.07 104.55 3exm h GLY 185 Ca 0.29 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3exm h GLY 185 CO -0.14 0.33 0.16 3.21 0.00 0.00 0.00 176.54 180.10 3exm h ARG 186 N 1.04 1.01 -0.42 4.80 3.08 -0.71 -0.83 114.38 122.34 3exm h ARG 186 Ca 0.34 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3exm h ARG 186 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3exm h ARG 186 CO -0.13 0.89 0.11 0.28 -1.07 0.00 0.00 179.97 180.05 3exm h VAL 187 N 0.96 1.23 -0.80 2.04 2.07 -0.68 -1.16 116.25 119.91 3exm h VAL 187 Ca 0.21 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3exm h VAL 187 Cb 0.33 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3exm h VAL 187 CO -0.00 0.28 0.45 0.03 0.02 0.00 0.00 177.57 178.35 3exm h ARG 188 N 0.55 1.10 -0.28 1.57 3.08 -0.93 0.71 114.38 120.17 3exm h ARG 188 Ca 0.13 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3exm h ARG 188 Cb 0.31 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3exm h ARG 188 CO 0.00 0.80 0.13 -0.09 -1.07 0.00 0.00 179.97 179.75 3exm h ARG 189 N 1.10 0.28 -0.53 0.04 2.43 -1.04 -0.29 114.38 116.37 3exm h ARG 189 Ca 0.28 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3exm h ARG 189 Cb 0.01 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3exm h ARG 189 CO -0.05 0.18 0.32 0.00 -1.51 0.00 0.00 179.97 178.91 3exm h ALA 190 N 1.15 0.69 -0.52 2.80 0.00 -0.59 -0.97 119.26 121.82 3exm h ALA 190 Ca 0.12 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3exm h ALA 190 Cb 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 3exm h ALA 190 CO -0.09 0.03 0.13 0.78 0.00 0.00 0.00 179.25 180.10 3exm h GLY 191 N 0.63 0.66 1.03 0.00 0.00 -0.38 0.19 103.07 105.20 3exm h GLY 191 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3exm h GLY 191 CO -0.10 -0.05 0.35 3.21 0.00 0.00 0.00 176.54 179.94 3exm h ARG 192 N 0.28 1.12 -0.39 4.80 3.08 -0.54 -0.38 114.38 122.35 3exm h ARG 192 Ca 0.26 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3exm h ARG 192 Cb 0.34 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3exm h ARG 192 CO -0.32 0.89 0.18 1.03 -1.07 0.00 0.00 179.97 180.68 3exm h SER 193 N 1.09 0.52 -0.51 7.04 0.87 -0.44 -0.41 113.55 121.72 3exm h SER 193 Ca 0.26 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3exm h SER 193 Cb 0.15 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3exm h SER 193 CO -0.03 0.51 0.21 0.00 -0.53 0.00 0.00 176.83 177.00 3exm h ALA 194 N 1.03 0.66 -0.94 6.23 0.00 -0.76 -1.96 119.26 123.51 3exm h ALA 194 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3exm h ALA 194 Cb 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3exm h ALA 194 CO -0.02 0.26 0.60 0.28 0.00 0.00 0.00 179.25 180.37 3exm h VAL 195 N 0.68 1.25 -0.72 0.00 2.07 -0.90 -0.41 116.25 118.22 3exm h VAL 195 Ca 0.17 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.25 3exm h VAL 195 Cb 0.18 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 3exm h VAL 195 CO -0.02 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.25 3exm h ALA 196 N 1.38 0.96 -0.54 1.67 0.00 -0.62 0.77 119.26 122.88 3exm h ALA 196 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3exm h ALA 196 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3exm h ALA 196 CO -0.07 0.14 0.08 0.93 0.00 0.00 0.00 179.25 180.33 3exm h GLU 197 N 0.79 0.86 -0.14 0.00 4.39 -0.60 -1.31 114.58 118.56 3exm h GLU 197 Ca 0.31 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3exm h GLU 197 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3exm h GLU 197 CO -0.16 0.81 0.01 0.82 -1.16 0.00 0.00 179.01 179.33 3exm h ILE 198 N 0.82 1.24 -0.91 3.13 2.04 -0.29 -0.26 117.51 123.29 3exm h ILE 198 Ca 0.17 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3exm h ILE 198 Cb 0.38 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3exm h ILE 198 CO 0.01 0.23 0.55 0.03 0.00 0.00 0.00 178.15 178.97 3exm h ARG 199 N 0.00 1.24 0.00 2.37 3.08 -0.75 -1.67 114.38 118.65 3exm h ARG 199 Ca 0.04 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3exm h ARG 199 Cb 0.35 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3exm h ARG 199 CO 0.01 0.87 0.00 0.00 -1.07 0.00 0.00 179.97 179.77 3exm n ALA 200 N -2.38 2.14 -3.78 0.04 0.00 -0.51 -4.93 120.51 111.09 3exm n ALA 200 Ca 0.10 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 3exm n ALA 200 Cb 0.06 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.13 3exm n ALA 200 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3exm n TRP 201 N -1.46 -1.81 -1.13 0.00 -0.00 -0.42 -5.02 117.44 107.60 3exm n TRP 201 Ca 0.07 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.16 3exm n TRP 201 Cb 0.27 -3.63 0.00 0.00 -0.00 0.00 0.00 31.31 27.94 3exm n TRP 201 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3exm n GLY 202 N -1.78 0.33 3.78 5.87 0.00 -0.24 -4.39 105.19 108.76 3exm n GLY 202 Ca -0.19 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3exm n GLY 202 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3exm s SER 203 N -1.00 6.65 0.00 1.61 0.01 -1.26 -1.60 113.70 118.10 3exm s SER 203 Ca 0.00 2.06 0.22 0.00 1.31 0.00 0.00 55.95 59.54 3exm s SER 203 Cb 0.00 -2.58 0.66 0.00 0.21 0.00 0.00 66.02 64.31 3exm s SER 203 CO 0.00 -0.57 1.51 -0.81 0.41 0.00 0.00 173.24 173.78 3exm n PRO 204 N -0.20 1.94 -0.36 12.44 -0.04 -1.26 -4.90 135.00 142.62 3exm n PRO 204 Ca 0.06 -1.41 0.04 0.00 -0.04 0.00 0.00 63.50 62.15 3exm n PRO 204 Cb 0.50 -1.43 0.21 0.00 -0.04 0.00 0.00 33.50 32.73 3exm n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3exm h PHE 205 N 2.88 1.16 -0.00 0.54 0.04 -1.75 -1.60 116.94 118.21 3exm h PHE 205 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3exm h PHE 205 Cb 0.63 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3exm h PHE 205 CO 0.12 0.56 -0.01 0.00 -0.60 0.00 0.00 178.31 178.38 3exm n ALA 206 N -2.36 2.66 0.11 2.45 0.00 -0.63 -4.29 120.51 118.45 3exm n ALA 206 Ca 0.16 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.48 3exm n ALA 206 Cb 0.24 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.51 3exm n ALA 206 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3exm n ASP 207 N -0.85 3.56 -0.65 0.00 8.00 -0.60 -4.95 116.55 121.07 3exm n ASP 207 Ca 0.21 -1.99 -0.08 0.00 0.71 0.00 0.00 54.79 53.64 3exm n ASP 207 Cb 0.18 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3exm n ASP 207 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3exm n GLY 208 N 1.55 1.02 0.32 0.44 0.00 -1.26 -4.87 105.19 102.39 3exm n GLY 208 Ca 0.21 -0.57 0.21 0.00 0.00 0.00 0.00 46.02 45.87 3exm n GLY 208 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3exm h TRP 209 N 0.00 0.00 -0.00 1.61 4.06 -1.89 -1.33 115.95 118.40 3exm h TRP 209 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3exm h TRP 209 Cb 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3exm h TRP 209 CO 0.26 0.01 0.02 1.05 -3.56 0.00 0.00 178.44 176.22 3exm h GLU 210 N 0.00 0.00 -0.02 0.49 9.09 -1.94 -1.19 114.58 121.01 3exm h GLU 210 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3exm h GLU 210 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3exm h GLU 210 CO 0.00 0.00 -0.33 0.72 0.05 0.00 0.00 179.01 179.45 3exm n HIS 211 N -3.09 0.00 -2.38 2.06 8.25 -0.50 -4.89 115.22 114.67 3exm n HIS 211 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 3exm n HIS 211 Cb 0.09 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3exm n HIS 211 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3exm s TRP 212 N -2.39 3.03 0.03 4.41 -0.00 -0.45 -5.06 118.94 118.50 3exm s TRP 212 Ca 0.22 1.58 0.02 0.00 -0.00 0.00 0.00 56.10 57.92 3exm s TRP 212 Cb 0.19 -3.27 -0.02 0.00 -0.00 0.00 0.00 33.47 30.37 3exm s TRP 212 CO 0.51 -1.14 -0.06 1.03 -0.00 0.00 0.00 176.95 177.29 3exm s ARG 213 N -2.64 0.45 0.69 5.86 1.81 -1.26 -5.08 118.95 118.78 3exm s ARG 213 Ca 0.61 -0.55 -0.12 0.00 -1.72 0.00 0.00 55.73 53.95 3exm s ARG 213 Cb -0.26 -0.26 0.01 0.00 -0.45 0.00 0.00 34.95 33.99 3exm s ARG 213 CO 0.31 0.05 1.07 -1.25 -0.68 0.00 0.00 175.30 174.81 3exm s PRO 214 N -1.11 2.82 -0.03 3.54 0.04 -1.26 -4.97 135.00 134.04 3exm s PRO 214 Ca -0.07 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 3exm s PRO 214 Cb -0.07 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3exm s PRO 214 CO 0.00 -1.20 1.45 0.34 0.04 0.00 0.00 177.00 177.63 3exm s ASP 215 N -3.36 6.81 0.09 6.66 -1.08 -1.26 -4.89 116.67 119.64 3exm s ASP 215 Ca 0.61 2.10 0.14 0.00 -0.52 0.00 0.00 52.55 54.88 3exm s ASP 215 Cb -0.16 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.36 3exm s ASP 215 CO 0.50 -0.78 1.43 -0.81 0.52 0.00 0.00 175.17 176.04 3exm n PRO 216 N 5.90 0.06 0.08 4.34 -0.04 -1.26 -1.91 135.00 142.17 3exm n PRO 216 Ca 0.14 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3exm n PRO 216 Cb 0.43 -1.63 0.32 0.00 -0.04 0.00 0.00 33.50 32.58 3exm n PRO 216 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3exm n ALA 217 N -1.59 2.55 -2.00 0.55 0.00 -1.26 -4.88 120.51 113.87 3exm n ALA 217 Ca 0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3exm n ALA 217 Cb 0.13 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3exm n ALA 217 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3exm s TRP 218 N -3.12 2.74 0.80 0.00 0.51 -0.80 -4.99 118.94 114.06 3exm s TRP 218 Ca 0.09 0.55 -0.11 0.00 -2.12 0.00 0.00 56.10 54.50 3exm s TRP 218 Cb 0.13 -3.87 0.07 0.00 -0.81 0.00 0.00 33.47 28.98 3exm s TRP 218 CO 0.64 -3.36 1.09 -1.25 -0.51 0.00 0.00 176.95 173.57 3exm s PRO 219 N 2.07 2.10 -0.20 4.98 0.04 -1.26 -5.00 135.00 137.72 3exm s PRO 219 Ca 0.70 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 3exm s PRO 219 Cb -0.39 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3exm s PRO 219 CO 0.31 -1.62 1.08 0.08 0.04 0.00 0.00 177.00 176.89 3exm s VAL 220 N -3.13 4.61 0.43 -0.36 1.01 -1.26 -5.02 120.40 116.68 3exm s VAL 220 Ca 0.61 1.94 -0.24 0.00 0.00 0.00 0.00 61.98 64.28 3exm s VAL 220 Cb -0.15 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 3exm s VAL 220 CO 0.54 -0.15 1.20 -2.16 0.00 0.00 0.00 175.10 174.54 3exm s PRO 221 N 3.13 3.90 0.53 2.72 0.04 -1.26 -5.02 135.00 139.04 3exm s PRO 221 Ca 0.47 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 3exm s PRO 221 Cb -0.17 -2.59 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 3exm s PRO 221 CO 0.09 -0.47 1.01 -1.12 0.04 0.00 0.00 177.00 176.55 3exm s SER 222 N -1.12 6.38 -0.31 6.66 0.01 -1.26 -4.56 113.70 119.51 3exm s SER 222 Ca 0.60 1.67 -0.28 0.00 1.31 0.00 0.00 55.95 59.25 3exm s SER 222 Cb -0.32 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.40 3exm s SER 222 CO 0.40 -0.75 1.00 -0.22 0.41 0.00 0.00 173.24 174.07 3exm s LEU 223 N -4.10 3.99 0.49 2.44 2.96 -1.26 -4.83 118.68 118.37 3exm s LEU 223 Ca 0.61 0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 55.27 3exm s LEU 223 Cb -0.12 -3.43 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 3exm s LEU 223 CO 0.31 -0.80 1.33 -2.84 -1.32 0.00 0.00 176.35 173.04 3exm s PRO 224 N 3.44 3.49 0.59 0.98 0.02 -1.26 -4.89 135.00 137.36 3exm s PRO 224 Ca 0.42 2.19 0.31 0.00 0.02 0.00 0.00 61.00 63.94 3exm s PRO 224 Cb -0.13 -2.45 1.81 0.00 0.02 0.00 0.00 34.50 33.75 3exm s PRO 224 CO 0.14 -0.90 2.23 0.78 -0.33 0.00 0.00 177.00 178.93 3exm h GLY 225 N 1.94 0.00 -3.66 0.52 0.00 -2.05 -2.44 103.07 97.37 3exm h GLY 225 Ca -0.50 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.27 3exm h GLY 225 CO 0.59 0.00 0.13 2.09 0.00 0.00 0.00 176.54 179.35 3exm n ASP 226 N -3.73 5.80 0.30 0.19 5.75 -1.26 -4.76 116.55 118.84 3exm n ASP 226 Ca -0.03 -3.77 0.19 0.00 -0.01 0.00 0.00 54.79 51.18 3exm n ASP 226 Cb 0.11 -0.70 1.02 0.00 -1.03 0.00 0.00 41.12 40.53 3exm n ASP 226 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3exm h TRP 227 N 1.88 0.00 -0.02 2.11 5.08 -1.81 -2.60 115.95 120.59 3exm h TRP 227 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3exm h TRP 227 Cb 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 3exm h TRP 227 CO 1.19 0.00 -0.41 -0.40 -1.28 0.00 0.00 178.44 177.53 3exm n ASP 228 N -2.87 1.93 -4.75 0.11 5.75 -1.26 -4.99 116.55 110.47 3exm n ASP 228 Ca -0.02 -1.45 -0.40 0.00 -0.01 0.00 0.00 54.79 52.90 3exm n ASP 228 Cb 0.12 0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.62 3exm n ASP 228 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3exm n ARG 229 N -0.04 2.23 -3.98 0.11 1.85 -0.98 -4.74 116.66 111.12 3exm n ARG 229 Ca 0.10 0.79 -0.31 0.00 -1.00 0.00 0.00 57.85 57.44 3exm n ARG 229 Cb 0.46 -2.59 -0.15 0.00 -1.05 0.00 0.00 32.46 29.12 3exm n ARG 229 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3exm s THR 230 N -1.19 1.74 0.70 8.89 2.01 -1.26 -5.05 115.64 121.48 3exm s THR 230 Ca 0.60 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 3exm s THR 230 Cb -0.46 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.09 3exm s THR 230 CO 0.58 -0.12 1.16 -2.16 -0.69 0.00 0.00 174.62 173.39 3exm s PRO 231 N 1.29 2.43 0.00 4.92 0.04 -1.26 -5.24 135.00 137.18 3exm s PRO 231 Ca -0.05 1.58 0.12 0.00 0.04 0.00 0.00 61.00 62.69 3exm s PRO 231 Cb -0.19 -1.89 0.75 0.00 0.04 0.00 0.00 34.50 33.21 3exm s PRO 231 CO -0.06 -1.57 1.18 0.00 0.04 0.00 0.00 177.00 176.58