#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wss s VAL 17 N 0.00 5.21 -0.55 1.39 1.01 0.87 -4.10 120.40 124.23 1wss s VAL 17 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1wss s VAL 17 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1wss s VAL 17 CO 0.00 0.32 0.05 0.61 0.00 0.00 0.00 175.10 176.07 1wss n GLY 18 N 4.58 0.15 0.00 4.51 0.00 -1.25 -1.89 105.19 111.28 1wss n GLY 18 Ca -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1wss n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wss n GLY 19 N -1.00 5.75 3.12 -0.02 0.00 -1.26 -4.85 105.19 106.93 1wss n GLY 19 Ca -0.07 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 1wss n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wss s LYS 20 N 1.73 0.72 0.34 1.61 1.02 -0.69 -4.95 119.74 119.53 1wss s LYS 20 Ca 0.00 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 54.42 1wss s LYS 20 Cb 0.00 0.07 -0.11 0.00 -0.52 0.00 0.00 37.83 37.27 1wss s LYS 20 CO 0.00 -0.09 1.46 0.08 -0.92 0.00 0.00 175.35 175.88 1wss s VAL 21 N -3.83 2.27 -0.45 3.17 1.01 -1.26 0.43 120.40 121.75 1wss s VAL 21 Ca 0.10 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1wss s VAL 21 Cb 0.07 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1wss s VAL 21 CO -0.07 0.06 0.86 0.00 0.00 0.00 0.00 175.10 175.95 1wss n PRO 23 N 6.93 0.49 -1.71 0.00 -0.02 -1.26 -4.67 135.00 134.76 1wss n PRO 23 Ca 0.05 0.18 -0.61 0.00 -2.02 0.00 0.00 63.50 61.09 1wss n PRO 23 Cb 0.48 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1wss n PRO 23 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1wss n LYS 24 N 1.88 0.72 0.00 -0.52 4.81 -1.26 -0.67 118.16 123.11 1wss n LYS 24 Ca 0.19 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1wss n LYS 24 Cb 0.14 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1wss n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wss n GLY 25 N 4.28 1.10 0.59 3.14 0.00 -1.26 -4.93 105.19 108.10 1wss n GLY 25 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 1wss n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wss n GLU 26 N -1.90 1.78 -2.66 1.61 1.02 0.15 -3.81 120.64 116.84 1wss n GLU 26 Ca 0.00 -1.16 -0.09 0.00 -0.02 0.00 0.00 57.16 55.88 1wss n GLU 26 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1wss n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wss n PRO 28 N -0.27 0.09 0.00 0.00 -0.04 -1.25 -1.25 135.00 132.29 1wss n PRO 28 Ca 0.13 0.56 0.10 0.00 -0.04 0.00 0.00 63.50 64.25 1wss n PRO 28 Cb 0.80 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 32.24 1wss n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1wss n TRP 29 N -2.01 0.00 -2.03 0.54 2.14 -1.10 -1.90 117.44 113.07 1wss n TRP 29 Ca -0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 1wss n TRP 29 Cb 0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.75 1wss n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1wss s GLN 30 N -2.18 4.28 0.05 -2.67 2.00 -0.38 -1.69 119.66 119.06 1wss s GLN 30 Ca 0.18 2.29 0.09 0.00 -2.00 0.00 0.00 55.36 55.92 1wss s GLN 30 Cb 0.16 -3.09 -0.03 0.00 0.80 0.00 0.00 33.01 30.85 1wss s GLN 30 CO 0.47 -0.37 -0.26 0.08 -0.50 0.00 0.00 175.29 174.72 1wss s VAL 31 N -0.35 2.11 -0.18 1.34 1.01 -0.41 -4.37 120.40 119.55 1wss s VAL 31 Ca 0.56 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1wss s VAL 31 Cb -0.41 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1wss s VAL 31 CO 0.47 0.35 -0.00 -0.22 0.00 0.00 0.00 175.10 175.69 1wss s LEU 32 N -1.25 3.33 -0.19 3.92 2.96 -0.35 -1.81 118.68 125.29 1wss s LEU 32 Ca 0.11 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1wss s LEU 32 Cb -0.10 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1wss s LEU 32 CO 0.02 0.12 0.05 -0.76 -1.32 0.00 0.00 176.35 174.46 1wss s LEU 33 N 0.69 3.69 0.10 -0.68 1.43 0.90 -0.69 118.68 124.13 1wss s LEU 33 Ca -0.00 0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1wss s LEU 33 Cb -0.14 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1wss s LEU 33 CO 0.02 0.14 -0.23 -0.76 0.23 0.00 0.00 176.35 175.75 1wss s LEU 34 N 0.57 2.27 -0.08 1.79 1.43 0.77 -0.39 118.68 125.05 1wss s LEU 34 Ca 0.03 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1wss s LEU 34 Cb -0.13 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1wss s LEU 34 CO 0.01 0.13 -0.06 0.54 0.23 0.00 0.00 176.35 177.20 1wss s VAL 35 N -1.04 0.79 -1.51 -1.59 0.11 -0.26 -0.25 120.40 116.65 1wss s VAL 35 Ca 0.09 -0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1wss s VAL 35 Cb -0.10 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1wss s VAL 35 CO 0.04 0.31 0.02 0.59 -3.33 0.00 0.00 175.10 172.73 1wss n ASN 37 N 4.53 -5.18 0.00 3.54 3.02 -0.62 -0.61 115.26 119.93 1wss n ASN 37 Ca -0.17 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1wss n ASN 37 Cb 0.51 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1wss n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wss n GLY 38 N -0.96 1.32 3.89 7.41 0.00 -1.26 -5.01 105.19 110.57 1wss n GLY 38 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1wss n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wss s ALA 39 N -3.63 3.84 0.35 4.61 0.00 0.22 -5.03 121.76 122.11 1wss s ALA 39 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1wss s ALA 39 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.93 1wss s ALA 39 CO 0.00 0.65 1.51 0.94 0.00 0.00 0.00 175.76 178.87 1wss n GLN 40 N 0.95 2.65 0.01 0.00 7.27 -1.26 -1.10 117.38 125.90 1wss n GLN 40 Ca -0.10 0.93 0.00 0.00 0.07 0.00 0.00 57.00 57.91 1wss n GLN 40 Cb 0.53 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1wss n GLN 40 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1wss n LEU 41 N 1.06 0.07 -3.84 1.69 7.94 0.47 -4.79 117.00 119.61 1wss n LEU 41 Ca 0.04 0.04 -0.06 0.00 -1.11 0.00 0.00 56.01 54.92 1wss n LEU 41 Cb 0.38 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.35 1wss n LEU 41 CO 0.64 -0.31 0.65 0.00 -1.11 0.00 0.00 177.39 177.26 1wss n GLY 43 N -0.60 2.11 3.75 0.00 0.00 0.80 -0.07 105.19 111.18 1wss n GLY 43 Ca -0.06 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 43.79 1wss n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wss s GLY 44 N -2.90 -0.27 -0.05 -0.02 0.00 -0.75 -4.23 107.32 99.11 1wss s GLY 44 Ca 0.21 0.37 -0.00 0.00 0.00 0.00 0.00 44.72 45.30 1wss s GLY 44 CO 0.13 1.82 -0.00 -1.59 0.00 0.00 0.00 173.10 173.46 1wss s THR 45 N -2.36 0.29 -0.09 0.90 2.01 0.33 -1.29 115.64 115.44 1wss s THR 45 Ca 0.19 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.99 1wss s THR 45 Cb 0.02 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1wss s THR 45 CO -0.02 0.20 0.92 -0.22 -0.69 0.00 0.00 174.62 174.82 1wss s LEU 46 N 1.41 4.27 0.00 4.42 2.96 -0.68 -0.26 118.68 130.79 1wss s LEU 46 Ca -0.04 1.44 0.06 0.00 -0.22 0.00 0.00 54.13 55.37 1wss s LEU 46 Cb -0.13 -3.42 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1wss s LEU 46 CO -0.03 -0.34 0.55 2.30 -1.32 0.00 0.00 176.35 177.51 1wss n ILE 47 N 4.32 0.00 -3.61 6.68 -5.35 -1.00 0.26 119.36 120.66 1wss n ILE 47 Ca 0.06 -0.46 -0.03 0.00 -0.27 0.00 0.00 62.75 62.05 1wss n ILE 47 Cb 0.50 1.09 -0.01 0.00 -1.74 0.00 0.00 39.64 39.47 1wss n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1wss s ASN 48 N -0.86 -0.13 0.14 7.28 2.20 -1.24 -4.68 114.94 117.66 1wss s ASN 48 Ca 0.06 -0.08 0.08 0.00 -0.94 0.00 0.00 52.86 51.98 1wss s ASN 48 Cb 0.05 0.20 0.45 0.00 -2.00 0.00 0.00 41.25 39.95 1wss s ASN 48 CO 0.13 -0.35 1.19 0.35 -2.94 0.00 0.00 177.10 175.48 1wss n THR 49 N -0.28 1.32 0.00 0.54 -2.24 -1.26 -2.83 114.28 109.53 1wss n THR 49 Ca -0.04 0.61 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1wss n THR 49 Cb 0.60 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1wss n THR 49 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1wss n ILE 50 N -1.76 0.00 -4.73 2.28 5.41 -1.26 -1.45 119.36 117.85 1wss n ILE 50 Ca -0.01 -0.07 -0.31 0.00 1.00 0.00 0.00 62.75 63.37 1wss n ILE 50 Cb 0.11 0.54 -0.13 0.00 -0.71 0.00 0.00 39.64 39.45 1wss n ILE 50 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1wss s TRP 51 N -1.75 2.59 -0.06 1.39 0.52 -1.13 -0.73 118.94 119.77 1wss s TRP 51 Ca 0.00 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.90 1wss s TRP 51 Cb 0.00 -1.50 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 1wss s TRP 51 CO 0.00 0.23 -0.10 0.08 0.02 0.00 0.00 176.95 177.17 1wss s VAL 52 N -0.87 0.98 -0.12 4.03 1.01 -0.16 -2.37 120.40 122.90 1wss s VAL 52 Ca 0.14 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1wss s VAL 52 Cb -0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1wss s VAL 52 CO 0.04 0.32 0.34 -0.69 0.00 0.00 0.00 175.10 175.12 1wss s VAL 53 N 0.72 5.25 0.00 2.92 1.01 0.64 0.00 120.40 130.93 1wss s VAL 53 Ca -0.14 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1wss s VAL 53 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wss s VAL 53 CO 0.03 0.42 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 1wss n SER 54 N 3.22 0.00 -4.91 3.32 2.88 0.62 -0.51 113.62 118.24 1wss n SER 54 Ca -0.12 -0.87 -0.32 0.00 -1.33 0.00 0.00 58.87 56.24 1wss n SER 54 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1wss n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wss s ALA 55 N -1.73 3.92 0.08 -1.46 0.00 -1.26 -0.45 121.76 120.86 1wss s ALA 55 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 1wss s ALA 55 Cb 0.00 -1.96 -0.16 0.00 0.00 0.00 0.00 23.12 21.00 1wss s ALA 55 CO 0.00 0.75 1.28 0.00 0.00 0.00 0.00 175.76 177.80 1wss h ALA 56 N 3.14 0.27 0.00 0.00 0.00 -1.71 -3.16 119.26 117.80 1wss h ALA 56 Ca -0.46 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1wss h ALA 56 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wss h ALA 56 CO 0.73 0.59 0.00 -2.39 0.00 0.00 0.00 179.25 178.18 1wss n HIS 57 N -4.03 0.63 0.26 0.00 1.44 -1.26 -1.13 115.22 111.12 1wss n HIS 57 Ca -0.08 0.32 0.12 0.00 -2.01 0.00 0.00 57.72 56.07 1wss n HIS 57 Cb 0.70 -1.02 0.56 0.00 0.12 0.00 0.00 29.99 30.36 1wss n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wss n PHE 59 N -2.28 0.38 -0.29 0.00 3.72 -0.29 -4.72 117.46 113.98 1wss n PHE 59 Ca -0.00 -0.81 -0.01 0.00 -0.05 0.00 0.00 57.45 56.58 1wss n PHE 59 Cb 0.11 -0.17 0.12 0.00 -0.94 0.00 0.00 39.48 38.59 1wss n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1wss h ASP 60 N 0.88 0.79 -0.17 4.37 5.19 -1.51 -3.15 116.42 122.82 1wss h ASP 60 Ca 0.00 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1wss h ASP 60 Cb 1.04 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.36 1wss h ASP 60 CO 0.08 0.52 -0.15 0.29 -3.12 0.00 0.00 179.24 176.86 1wss n LYS 60 N -4.64 1.86 -2.54 3.56 4.01 -1.26 -5.00 118.16 114.15 1wss n LYS 60 Ca 0.10 -3.01 -0.37 0.00 -0.51 0.00 0.00 58.31 54.53 1wss n LYS 60 Cb 0.14 -1.70 -0.04 0.00 -0.51 0.00 0.00 35.03 32.92 1wss n LYS 60 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wss s ILE 60 N -3.08 3.70 0.00 -0.18 -1.09 -1.19 -4.93 121.20 114.43 1wss s ILE 60 Ca 0.40 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 1wss s ILE 60 Cb 0.36 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1wss s ILE 60 CO 0.01 0.03 0.00 1.17 -1.23 0.00 0.00 174.94 174.92 1wss n LYS 60 N 0.00 0.00 -2.74 2.79 4.81 -1.26 -4.90 118.16 116.87 1wss n LYS 60 Ca 0.05 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.05 1wss n LYS 60 Cb 0.49 -0.56 0.00 0.00 0.02 0.00 0.00 35.03 34.98 1wss n LYS 60 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wss n ASN 60 N -2.31 5.20 0.00 3.14 3.02 -1.26 -4.81 115.26 118.24 1wss n ASN 60 Ca 0.00 -3.03 0.01 0.00 -0.03 0.00 0.00 54.58 51.53 1wss n ASN 60 Cb 0.26 -1.53 0.03 0.00 -0.61 0.00 0.00 39.78 37.93 1wss n ASN 60 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1wss n TRP 61 N 4.91 0.00 1.04 3.10 7.02 -1.26 -0.26 117.44 132.00 1wss n TRP 61 Ca 0.38 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.98 1wss n TRP 61 Cb 0.40 -0.37 0.12 0.00 -2.42 0.00 0.00 31.31 29.04 1wss n TRP 61 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1wss n ARG 62 N -1.37 2.04 -0.67 -0.99 5.12 -1.26 -4.25 116.66 115.28 1wss n ARG 62 Ca 0.01 -1.66 0.08 0.00 -1.93 0.00 0.00 57.85 54.35 1wss n ARG 62 Cb 0.01 -1.47 0.34 0.00 -1.16 0.00 0.00 32.46 30.18 1wss n ARG 62 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wss n ASN 63 N 0.97 4.83 -4.62 0.55 4.13 0.65 -4.96 115.26 116.80 1wss n ASN 63 Ca 0.13 -2.94 -0.40 0.00 1.68 0.00 0.00 54.58 53.05 1wss n ASN 63 Cb 0.55 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 38.11 1wss n ASN 63 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1wss s LEU 64 N -2.74 4.06 -0.00 3.41 1.43 -1.26 -1.60 118.68 121.99 1wss s LEU 64 Ca 0.48 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.30 1wss s LEU 64 Cb 0.38 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1wss s LEU 64 CO 0.13 -0.35 -0.22 -0.63 0.23 0.00 0.00 176.35 175.51 1wss s ILE 65 N 2.45 2.40 -0.13 -0.59 -1.09 0.65 -0.91 121.20 123.99 1wss s ILE 65 Ca 0.25 -1.10 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1wss s ILE 65 Cb -0.15 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1wss s ILE 65 CO 0.09 0.50 -0.19 0.00 -1.23 0.00 0.00 174.94 174.10 1wss s ALA 66 N -0.73 2.35 -0.11 9.38 0.00 -0.12 -0.16 121.76 132.37 1wss s ALA 66 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1wss s ALA 66 Cb -0.10 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1wss s ALA 66 CO 0.01 0.08 -0.14 0.08 0.00 0.00 0.00 175.76 175.79 1wss s VAL 67 N 0.64 3.01 0.27 0.00 1.01 0.14 -1.37 120.40 124.10 1wss s VAL 67 Ca -0.10 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.29 1wss s VAL 67 Cb -0.16 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1wss s VAL 67 CO 0.02 0.54 -0.09 -0.76 0.00 0.00 0.00 175.10 174.81 1wss s LEU 68 N 0.07 2.92 -0.91 3.92 1.02 -0.04 -1.21 118.68 124.45 1wss s LEU 68 Ca -0.06 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.29 1wss s LEU 68 Cb -0.15 -1.45 0.00 0.00 0.02 0.00 0.00 46.19 44.62 1wss s LEU 68 CO 0.04 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.05 1wss n GLY 69 N -0.72 1.02 3.88 -3.19 0.00 -1.26 -1.40 105.19 103.52 1wss n GLY 69 Ca -0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1wss n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wss s GLU 70 N -2.56 3.12 0.12 1.61 0.41 -1.26 -3.92 118.70 116.21 1wss s GLU 70 Ca 0.00 0.53 0.00 0.00 -0.41 0.00 0.00 54.97 55.09 1wss s GLU 70 Cb 0.00 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 1wss s GLU 70 CO 0.00 -0.85 0.00 1.58 -0.49 0.00 0.00 175.26 175.50 1wss n HIS 71 N -2.89 -2.66 -3.53 1.61 -0.00 -1.26 -4.90 115.22 101.59 1wss n HIS 71 Ca 0.06 0.37 -0.42 0.00 -0.00 0.00 0.00 57.72 57.74 1wss n HIS 71 Cb 0.56 1.27 -0.10 0.00 -0.00 0.00 0.00 29.99 31.73 1wss n HIS 71 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1wss s ASP 72 N -1.78 5.86 0.00 0.26 -1.08 -1.26 -1.67 116.67 117.00 1wss s ASP 72 Ca 0.00 -1.19 0.04 0.00 -0.52 0.00 0.00 52.55 50.88 1wss s ASP 72 Cb 0.00 -2.07 0.20 0.00 -1.46 0.00 0.00 42.92 39.59 1wss s ASP 72 CO 0.00 -0.49 0.91 0.18 0.52 0.00 0.00 175.17 176.29 1wss n LEU 73 N 5.05 0.00 -0.61 -1.34 4.77 0.83 -2.02 117.00 123.68 1wss n LEU 73 Ca -0.11 0.24 0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1wss n LEU 73 Cb 0.45 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1wss n LEU 73 CO 0.40 -0.21 0.51 -1.54 -1.33 0.00 0.00 177.39 175.22 1wss n SER 74 N -1.24 2.35 -3.66 -1.43 3.41 -1.26 -4.94 113.62 106.86 1wss n SER 74 Ca 0.02 -1.66 -0.17 0.00 -0.26 0.00 0.00 58.87 56.80 1wss n SER 74 Cb 0.03 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 63.77 1wss n SER 74 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1wss s GLU 75 N -1.15 0.04 0.17 4.33 2.12 -0.85 -5.14 118.70 118.21 1wss s GLU 75 Ca 0.19 0.53 -0.27 0.00 0.36 0.00 0.00 54.97 55.78 1wss s GLU 75 Cb 0.12 -0.36 -0.08 0.00 0.26 0.00 0.00 34.13 34.08 1wss s GLU 75 CO 0.18 -0.34 0.84 -1.01 -0.54 0.00 0.00 175.26 174.39 1wss s HIS 76 N 2.29 3.90 0.22 5.30 3.76 -1.26 -4.68 115.29 124.81 1wss s HIS 76 Ca 0.03 1.71 -0.04 0.00 -0.15 0.00 0.00 55.06 56.61 1wss s HIS 76 Cb -0.12 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1wss s HIS 76 CO -0.06 0.44 0.22 0.16 -0.85 0.00 0.00 174.74 174.66 1wss s ASP 77 N -0.91 0.13 0.00 1.40 1.47 -1.26 -5.05 116.67 112.44 1wss s ASP 77 Ca 0.39 -1.28 0.13 0.00 1.18 0.00 0.00 52.55 52.96 1wss s ASP 77 Cb -0.24 0.44 0.76 0.00 -0.34 0.00 0.00 42.92 43.54 1wss s ASP 77 CO 0.28 -0.93 1.18 0.61 0.68 0.00 0.00 175.17 176.99 1wss n GLY 78 N -0.31 -0.46 0.08 2.12 0.00 -1.26 -2.80 105.19 102.56 1wss n GLY 78 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1wss n GLY 78 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wss h ASP 79 N 0.00 0.00 -3.28 1.61 3.32 -1.95 -3.46 116.42 112.66 1wss h ASP 79 Ca 0.00 -0.16 -0.53 0.00 0.02 0.00 0.00 57.03 56.37 1wss h ASP 79 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1wss h ASP 79 CO 0.00 0.08 0.58 -1.61 -1.72 0.00 0.00 179.24 176.57 1wss s GLU 80 N -3.17 4.44 -0.07 3.56 2.02 -1.12 -4.25 118.70 120.11 1wss s GLU 80 Ca 0.07 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1wss s GLU 80 Cb 0.13 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 31.09 1wss s GLU 80 CO 0.70 -0.21 -0.05 -0.65 0.02 0.00 0.00 175.26 175.07 1wss s GLN 81 N 0.56 1.06 0.02 1.61 -0.21 -0.49 -4.98 119.66 117.24 1wss s GLN 81 Ca 0.57 -0.13 0.02 0.00 0.02 0.00 0.00 55.36 55.84 1wss s GLN 81 Cb -0.32 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 1wss s GLN 81 CO 0.32 -0.17 0.04 -1.12 -2.12 0.00 0.00 175.29 172.24 1wss s SER 82 N 1.37 5.36 -0.16 5.90 0.01 -1.26 -0.86 113.70 124.06 1wss s SER 82 Ca -0.03 0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 1wss s SER 82 Cb -0.14 -1.44 0.05 0.00 0.21 0.00 0.00 66.02 64.70 1wss s SER 82 CO -0.03 0.24 0.41 -0.13 0.41 0.00 0.00 173.24 174.14 1wss s ARG 83 N -1.86 0.44 0.38 12.44 1.81 -0.47 -5.00 118.95 126.69 1wss s ARG 83 Ca 0.23 0.66 -0.26 0.00 -1.72 0.00 0.00 55.73 54.64 1wss s ARG 83 Cb -0.12 0.12 -0.09 0.00 -0.45 0.00 0.00 34.95 34.42 1wss s ARG 83 CO 0.15 -0.10 1.21 1.03 -0.68 0.00 0.00 175.30 176.90 1wss s ARG 84 N 0.72 4.12 -0.45 3.54 0.52 -1.26 -0.94 118.95 125.18 1wss s ARG 84 Ca -0.04 1.95 -0.26 0.00 -0.52 0.00 0.00 55.73 56.86 1wss s ARG 84 Cb -0.05 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1wss s ARG 84 CO -0.05 -0.30 0.94 0.08 0.02 0.00 0.00 175.30 175.99 1wss s VAL 85 N -1.33 4.47 -0.21 3.52 1.01 -0.08 -0.58 120.40 127.20 1wss s VAL 85 Ca 0.55 0.81 0.19 0.00 0.00 0.00 0.00 61.98 63.53 1wss s VAL 85 Cb -0.33 -4.44 0.18 0.00 0.00 0.00 0.00 36.38 31.79 1wss s VAL 85 CO 0.43 -0.82 1.55 0.00 0.00 0.00 0.00 175.10 176.25 1wss h ALA 86 N 9.04 0.82 -2.10 5.51 0.00 -0.88 -3.46 119.26 128.19 1wss h ALA 86 Ca -0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1wss h ALA 86 Cb 1.07 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 1wss h ALA 86 CO 1.03 0.38 0.08 -1.14 0.00 0.00 0.00 179.25 179.59 1wss s GLN 87 N -3.13 0.79 -0.25 0.00 0.74 -1.02 -4.56 119.66 112.23 1wss s GLN 87 Ca 0.05 0.96 0.02 0.00 0.05 0.00 0.00 55.36 56.43 1wss s GLN 87 Cb 0.07 0.37 0.06 0.00 1.10 0.00 0.00 33.01 34.62 1wss s GLN 87 CO 0.71 -0.10 -0.06 0.08 -0.55 0.00 0.00 175.29 175.36 1wss s VAL 88 N 0.42 1.77 -0.29 1.34 1.01 -0.38 -0.96 120.40 123.32 1wss s VAL 88 Ca -0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1wss s VAL 88 Cb -0.05 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1wss s VAL 88 CO -0.00 -0.11 0.12 -0.63 0.00 0.00 0.00 175.10 174.48 1wss s ILE 89 N 1.27 4.53 0.04 2.22 1.01 -0.26 -0.96 121.20 129.05 1wss s ILE 89 Ca -0.06 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1wss s ILE 89 Cb -0.19 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1wss s ILE 89 CO -0.06 0.18 -0.20 -0.63 0.00 0.00 0.00 174.94 174.23 1wss s ILE 90 N 1.62 2.67 0.36 2.92 1.01 -0.18 -1.51 121.20 128.10 1wss s ILE 90 Ca 0.05 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.22 1wss s ILE 90 Cb -0.16 -2.10 -0.11 0.00 0.01 0.00 0.00 42.46 40.09 1wss s ILE 90 CO 0.06 0.36 1.44 -2.65 0.00 0.00 0.00 174.94 174.14 1wss n PRO 91 N 1.64 2.53 0.28 2.79 -0.02 -1.26 -1.73 135.00 139.23 1wss n PRO 91 Ca -0.16 0.89 0.18 0.00 -2.02 0.00 0.00 63.50 62.39 1wss n PRO 91 Cb 0.52 -2.58 0.89 0.00 -0.02 0.00 0.00 33.50 32.32 1wss n PRO 91 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1wss h SER 92 N 2.90 0.00 0.79 2.55 0.02 -0.64 -1.91 113.55 117.26 1wss h SER 92 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1wss h SER 92 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wss h SER 92 CO 0.64 0.00 -0.30 0.35 -1.14 0.00 0.00 176.83 176.38 1wss n THR 93 N -2.89 0.08 -2.45 -2.27 -2.24 -1.26 -4.88 114.28 98.37 1wss n THR 93 Ca -0.01 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 1wss n THR 93 Cb 0.16 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 1wss n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1wss s TYR 94 N -3.03 3.55 -0.20 4.78 5.04 -0.72 -4.93 117.35 121.84 1wss s TYR 94 Ca 0.11 1.67 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 1wss s TYR 94 Cb 0.17 -3.31 0.02 0.00 0.35 0.00 0.00 41.96 39.19 1wss s TYR 94 CO 0.63 -0.65 -0.17 0.08 -1.34 0.00 0.00 175.55 174.11 1wss s VAL 95 N -1.07 2.23 0.22 3.14 1.01 -1.26 -4.99 120.40 119.68 1wss s VAL 95 Ca 0.45 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1wss s VAL 95 Cb -0.32 -2.00 -0.15 0.00 0.00 0.00 0.00 36.38 33.91 1wss s VAL 95 CO 0.41 0.45 0.99 -2.65 0.00 0.00 0.00 175.10 174.30 1wss n PRO 96 N 4.62 1.01 -0.14 2.72 -0.02 -1.26 -0.62 135.00 141.31 1wss n PRO 96 Ca -0.20 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1wss n PRO 96 Cb 0.49 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1wss n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wss n GLY 97 N 1.66 2.32 0.00 -1.23 0.00 -1.26 -5.00 105.19 101.68 1wss n GLY 97 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wss n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wss n THR 98 N -2.00 0.00 -0.01 2.61 -2.24 0.21 -5.10 114.28 107.75 1wss n THR 98 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1wss n THR 98 Cb 0.00 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.39 1wss n THR 98 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wss n THR 99 N -0.76 0.19 -1.91 4.28 -2.24 -1.26 -4.94 114.28 107.63 1wss n THR 99 Ca 0.00 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 1wss n THR 99 Cb 0.00 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.39 1wss n THR 99 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wss s ASN 100 N -3.51 5.52 -1.50 3.42 3.04 -1.26 -3.12 114.94 117.52 1wss s ASN 100 Ca -0.02 2.64 -0.06 0.00 0.04 0.00 0.00 52.86 55.46 1wss s ASN 100 Cb 0.01 -2.63 0.02 0.00 -1.54 0.00 0.00 41.25 37.11 1wss s ASN 100 CO 0.10 -1.39 0.62 1.41 -3.04 0.00 0.00 177.10 174.80 1wss n HIS 101 N -0.88 -1.99 -2.10 0.43 8.25 -1.26 -4.50 115.22 113.17 1wss n HIS 101 Ca 0.10 0.54 -0.34 0.00 -0.26 0.00 0.00 57.72 57.76 1wss n HIS 101 Cb 0.46 -4.25 -0.04 0.00 1.12 0.00 0.00 29.99 27.27 1wss n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wss n ASP 102 N -2.51 3.52 -3.76 0.41 -0.08 -1.18 -4.74 116.55 108.21 1wss n ASP 102 Ca -0.09 -2.76 -0.13 0.00 -1.51 0.00 0.00 54.79 50.30 1wss n ASP 102 Cb 0.60 -1.68 -0.09 0.00 2.34 0.00 0.00 41.12 42.30 1wss n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1wss s ILE 103 N 8.50 0.06 -0.13 5.18 2.07 -1.26 -4.10 121.20 131.51 1wss s ILE 103 Ca 0.63 -0.50 -0.13 0.00 -1.41 0.00 0.00 60.65 59.25 1wss s ILE 103 Cb 0.02 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 42.03 1wss s ILE 103 CO 0.11 -0.27 0.36 0.00 -1.91 0.00 0.00 174.94 173.23 1wss s ALA 104 N -1.39 -0.89 -0.23 1.50 0.00 0.40 -3.77 121.76 117.37 1wss s ALA 104 Ca -0.13 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1wss s ALA 104 Cb -0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1wss s ALA 104 CO 0.04 -0.17 -0.03 -1.17 0.00 0.00 0.00 175.76 174.43 1wss s LEU 105 N 0.14 3.04 -0.16 0.00 2.96 -0.57 -0.28 118.68 123.82 1wss s LEU 105 Ca -0.00 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1wss s LEU 105 Cb -0.03 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1wss s LEU 105 CO 0.01 -0.05 0.00 -0.76 -1.32 0.00 0.00 176.35 174.23 1wss s LEU 106 N 1.48 3.49 -0.34 -0.68 1.02 0.10 -1.10 118.68 122.66 1wss s LEU 106 Ca 0.05 -0.02 -0.13 0.00 0.02 0.00 0.00 54.13 54.05 1wss s LEU 106 Cb -0.15 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 1wss s LEU 106 CO -0.02 0.20 0.27 -0.60 0.02 0.00 0.00 176.35 176.22 1wss s ARG 107 N 0.19 3.53 0.27 1.70 3.52 -0.14 -0.98 118.95 127.04 1wss s ARG 107 Ca 0.01 -0.57 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 1wss s ARG 107 Cb -0.13 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.36 1wss s ARG 107 CO 0.02 -0.46 1.15 -0.51 -0.81 0.00 0.00 175.30 174.70 1wss s LEU 108 N 1.81 4.51 0.60 -0.88 1.43 0.10 -0.24 118.68 126.00 1wss s LEU 108 Ca 0.08 2.33 0.30 0.00 -1.03 0.00 0.00 54.13 55.81 1wss s LEU 108 Cb -0.17 -3.63 1.83 0.00 0.03 0.00 0.00 46.19 44.25 1wss s LEU 108 CO 0.11 -0.26 2.24 -0.74 0.23 0.00 0.00 176.35 177.93 1wss h HIS 109 N 4.08 0.00 -2.74 0.29 -0.00 -1.16 -3.42 115.15 112.20 1wss h HIS 109 Ca -0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.78 1wss h HIS 109 Cb 1.21 0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 28.37 1wss h HIS 109 CO 0.59 0.00 -0.30 -1.14 -0.00 0.00 0.00 177.93 177.08 1wss s GLN 110 N -4.61 0.40 0.44 5.26 2.00 -1.26 -5.01 119.66 116.89 1wss s GLN 110 Ca -0.05 0.67 -0.24 0.00 -2.00 0.00 0.00 55.36 53.74 1wss s GLN 110 Cb 0.15 0.06 -0.09 0.00 0.80 0.00 0.00 33.01 33.93 1wss s GLN 110 CO 0.54 -0.12 1.15 -0.35 -0.50 0.00 0.00 175.29 176.01 1wss n PRO 111 N 3.70 1.59 -2.91 1.67 -0.04 -1.26 -4.93 135.00 132.83 1wss n PRO 111 Ca -0.19 0.57 -0.26 0.00 -0.04 0.00 0.00 63.50 63.57 1wss n PRO 111 Cb 0.56 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 1wss n PRO 111 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wss s VAL 112 N -1.26 4.97 -0.15 0.52 -7.23 -0.53 -5.02 120.40 111.71 1wss s VAL 112 Ca 0.64 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.61 1wss s VAL 112 Cb -0.52 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.54 1wss s VAL 112 CO 0.56 -0.73 0.57 -0.69 -0.31 0.00 0.00 175.10 174.50 1wss s VAL 113 N -2.57 5.10 0.10 1.32 1.01 -1.26 -4.84 120.40 119.26 1wss s VAL 113 Ca 0.45 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1wss s VAL 113 Cb -0.10 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1wss s VAL 113 CO 0.41 0.22 1.10 -0.76 0.00 0.00 0.00 175.10 176.08 1wss s LEU 114 N 1.22 4.43 0.00 3.92 1.43 -1.26 -4.77 118.68 123.65 1wss s LEU 114 Ca 0.28 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1wss s LEU 114 Cb -0.16 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.47 1wss s LEU 114 CO 0.11 -0.30 0.24 0.35 0.23 0.00 0.00 176.35 176.99 1wss n THR 115 N 3.18 0.00 0.32 5.49 -2.24 -0.22 -4.96 114.28 115.85 1wss n THR 115 Ca 0.05 -1.19 0.20 0.00 -2.27 0.00 0.00 64.05 60.85 1wss n THR 115 Cb 0.47 0.67 1.04 0.00 -2.10 0.00 0.00 70.33 70.42 1wss n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wss h ASP 116 N 1.18 0.00 -0.01 3.42 3.32 -2.00 -2.72 116.42 119.62 1wss h ASP 116 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1wss h ASP 116 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1wss h ASP 116 CO 0.21 0.01 -0.23 1.41 -1.72 0.00 0.00 179.24 178.93 1wss n HIS 117 N -3.16 0.00 -3.70 4.55 8.25 -1.26 -4.88 115.22 115.02 1wss n HIS 117 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1wss n HIS 117 Cb 0.14 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.09 1wss n HIS 117 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wss s VAL 118 N -1.44 0.53 -0.03 1.59 1.01 -1.02 -4.08 120.40 116.96 1wss s VAL 118 Ca 0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1wss s VAL 118 Cb 0.09 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1wss s VAL 118 CO 0.28 -0.44 0.11 -0.69 0.00 0.00 0.00 175.10 174.35 1wss s VAL 119 N 1.82 0.03 0.56 2.92 1.01 -0.80 -1.06 120.40 124.89 1wss s VAL 119 Ca 0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1wss s VAL 119 Cb -0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1wss s VAL 119 CO -0.18 -0.12 0.99 -2.16 0.00 0.00 0.00 175.10 173.63 1wss s PRO 120 N -0.36 3.75 0.04 2.72 0.04 -1.26 -2.72 135.00 137.21 1wss s PRO 120 Ca -0.04 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1wss s PRO 120 Cb -0.03 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1wss s PRO 120 CO 0.00 -0.41 0.39 -1.17 0.04 0.00 0.00 177.00 175.85 1wss s LEU 121 N -4.65 4.39 0.16 -3.56 2.96 0.14 -4.92 118.68 113.20 1wss s LEU 121 Ca 0.56 0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 55.00 1wss s LEU 121 Cb -0.10 -2.80 -0.08 0.00 0.50 0.00 0.00 46.19 43.71 1wss s LEU 121 CO 0.43 0.24 1.17 0.00 -1.32 0.00 0.00 176.35 176.87 1wss s LEU 123 N -0.08 4.18 0.61 0.00 2.96 -1.26 -0.58 118.68 124.50 1wss s LEU 123 Ca 0.53 0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1wss s LEU 123 Cb -0.31 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 1wss s LEU 123 CO 0.35 -0.33 0.97 -2.16 -1.32 0.00 0.00 176.35 173.86 1wss s PRO 124 N 2.24 3.26 0.49 0.98 0.04 -1.26 -4.99 135.00 135.77 1wss s PRO 124 Ca 0.18 0.40 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 1wss s PRO 124 Cb -0.16 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1wss s PRO 124 CO 0.11 -0.63 1.08 -1.21 0.04 0.00 0.00 177.00 176.39 1wss s GLU 125 N -5.09 3.72 0.13 4.56 2.02 -1.26 -4.89 118.70 117.89 1wss s GLU 125 Ca 0.54 1.51 -0.31 0.00 0.02 0.00 0.00 54.97 56.73 1wss s GLU 125 Cb -0.11 -2.18 -0.08 0.00 0.10 0.00 0.00 34.13 31.86 1wss s GLU 125 CO 0.50 -0.52 1.56 -0.09 0.02 0.00 0.00 175.26 176.73 1wss h ARG 126 N 1.66 -0.47 -0.77 1.61 2.43 -1.97 -2.26 114.38 114.62 1wss h ARG 126 Ca -0.49 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1wss h ARG 126 Cb 1.24 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.85 1wss h ARG 126 CO 0.59 -0.31 0.40 1.79 -1.51 0.00 0.00 179.97 180.93 1wss h THR 127 N -0.48 1.24 -0.60 0.20 1.35 -1.93 -1.36 112.91 111.32 1wss h THR 127 Ca 0.07 -0.64 0.07 0.00 -0.55 0.00 0.00 66.41 65.36 1wss h THR 127 Cb 0.64 0.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.24 1wss h THR 127 CO -0.49 0.28 0.29 0.15 -0.25 0.00 0.00 175.52 175.50 1wss h PHE 128 N 1.08 0.52 -0.40 4.73 3.57 -1.90 0.12 116.94 124.67 1wss h PHE 128 Ca 0.27 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.70 1wss h PHE 128 Cb 0.08 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1wss h PHE 128 CO 0.01 0.21 -0.16 1.03 -2.23 0.00 0.00 178.31 177.17 1wss h SER 129 N 0.53 0.73 0.23 0.41 0.87 -0.89 -0.12 113.55 115.30 1wss h SER 129 Ca 0.28 -0.23 -0.30 0.00 -1.23 0.00 0.00 61.79 60.32 1wss h SER 129 Cb 0.26 -0.20 0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1wss h SER 129 CO -0.22 0.89 -1.30 -0.33 -0.53 0.00 0.00 176.83 175.34 1wss h GLU 129 N 0.66 0.48 0.00 2.24 5.08 -0.81 -0.47 114.58 121.76 1wss h GLU 129 Ca 0.10 -0.82 -0.02 0.00 -1.00 0.00 0.00 59.36 57.62 1wss h GLU 129 Cb 0.63 0.31 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1wss h GLU 129 CO 0.04 1.39 -0.70 -0.09 -1.00 0.00 0.00 179.01 178.65 1wss h ARG 129 N 0.00 0.00 0.00 2.33 2.43 -0.82 -3.40 114.38 114.92 1wss h ARG 129 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1wss h ARG 129 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1wss h ARG 129 CO 0.24 0.05 0.00 2.41 -1.51 0.00 0.00 179.97 181.17 1wss n THR 129 N -2.86 0.20 -0.27 0.20 -1.04 -0.08 -4.82 114.28 105.60 1wss n THR 129 Ca 0.00 0.06 0.11 0.00 -2.04 0.00 0.00 64.05 62.19 1wss n THR 129 Cb 0.58 -0.97 0.36 0.00 -1.82 0.00 0.00 70.33 68.48 1wss n THR 129 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wss h LEU 129 N 0.00 0.69 -1.04 -4.42 3.38 -1.55 -0.49 115.31 111.88 1wss h LEU 129 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wss h LEU 129 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1wss h LEU 129 CO 0.00 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1wss n ALA 129 N -2.42 1.03 -0.01 1.53 0.00 -0.18 -1.04 120.51 119.41 1wss n ALA 129 Ca 0.17 0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.81 1wss n ALA 129 Cb 0.44 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.77 1wss n ALA 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wss n PHE 129 N -2.05 0.31 -2.61 0.00 3.72 -0.20 -4.88 117.46 111.76 1wss n PHE 129 Ca -0.01 -0.37 -0.43 0.00 -0.05 0.00 0.00 57.45 56.59 1wss n PHE 129 Cb 0.02 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 1wss n PHE 129 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1wss s VAL 129 N -0.96 4.59 0.10 -4.37 1.01 -0.21 -4.93 120.40 115.64 1wss s VAL 129 Ca 0.18 1.92 -0.34 0.00 0.00 0.00 0.00 61.98 63.74 1wss s VAL 129 Cb 0.10 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 1wss s VAL 129 CO 0.14 -0.15 1.55 -0.09 0.00 0.00 0.00 175.10 176.55 1wss h ARG 134 N 7.58 -0.75 -5.93 2.72 9.65 -1.90 -3.44 114.38 122.31 1wss h ARG 134 Ca -0.22 0.05 -0.63 0.00 -1.10 0.00 0.00 59.98 58.08 1wss h ARG 134 Cb 1.08 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.78 1wss h ARG 134 CO 0.96 -0.50 -0.52 -0.06 2.80 0.00 0.00 179.97 182.66 1wss s PHE 135 N -5.73 3.46 0.06 2.20 0.08 -1.26 -1.07 117.98 115.72 1wss s PHE 135 Ca -0.16 0.25 -0.10 0.00 0.12 0.00 0.00 56.93 57.04 1wss s PHE 135 Cb 0.06 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1wss s PHE 135 CO 0.60 0.59 0.21 -1.12 -0.10 0.00 0.00 175.22 175.40 1wss s SER 136 N -2.30 0.04 -0.13 1.36 0.01 -0.92 -4.58 113.70 107.18 1wss s SER 136 Ca 0.31 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 57.00 1wss s SER 136 Cb -0.13 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1wss s SER 136 CO 0.24 -0.64 0.25 -0.76 0.41 0.00 0.00 173.24 172.74 1wss s LEU 137 N -2.41 4.32 0.06 2.44 1.43 0.12 -1.24 118.68 123.40 1wss s LEU 137 Ca -0.01 0.54 0.09 0.00 -1.03 0.00 0.00 54.13 53.73 1wss s LEU 137 Cb 0.01 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1wss s LEU 137 CO -0.07 0.23 -0.24 0.68 0.23 0.00 0.00 176.35 177.18 1wss s VAL 138 N -0.21 2.31 0.23 -1.59 -7.23 0.19 -1.04 120.40 113.06 1wss s VAL 138 Ca 0.16 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 1wss s VAL 138 Cb -0.13 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.88 1wss s VAL 138 CO 0.05 0.32 0.51 -0.94 -0.31 0.00 0.00 175.10 174.73 1wss s SER 139 N -1.41 -0.16 0.00 4.85 1.04 -1.23 -0.37 113.70 116.42 1wss s SER 139 Ca 0.13 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1wss s SER 139 Cb -0.10 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1wss s SER 139 CO 0.03 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1wss n GLY 140 N -0.37 -0.34 1.69 7.32 0.00 -0.75 -4.47 105.19 108.27 1wss n GLY 140 Ca -0.05 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1wss n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wss n TRP 141 N -1.18 2.06 -0.36 1.61 8.01 -1.26 -2.19 117.44 124.13 1wss n TRP 141 Ca 0.00 -1.44 0.00 0.00 -1.31 0.00 0.00 57.50 54.75 1wss n TRP 141 Cb 0.00 -0.66 0.00 0.00 -2.01 0.00 0.00 31.31 28.64 1wss n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wss n GLY 142 N -0.73 -2.35 3.77 6.99 0.00 -1.25 -2.42 105.19 109.21 1wss n GLY 142 Ca 0.41 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1wss n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wss s GLN 143 N -2.17 4.10 0.00 1.61 1.11 -1.26 -1.57 119.66 121.49 1wss s GLN 143 Ca 0.00 2.26 0.27 0.00 0.01 0.00 0.00 55.36 57.90 1wss s GLN 143 Cb 0.00 -2.89 0.87 0.00 -1.01 0.00 0.00 33.01 29.99 1wss s GLN 143 CO 0.00 -0.42 1.64 1.28 0.01 0.00 0.00 175.29 177.80 1wss n LEU 144 N 0.38 0.85 -3.57 2.90 4.77 -0.58 -0.65 117.00 121.09 1wss n LEU 144 Ca 0.02 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.70 1wss n LEU 144 Cb 0.42 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1wss n LEU 144 CO 0.58 0.16 0.27 -0.76 -1.33 0.00 0.00 177.39 176.31 1wss s LEU 145 N -2.52 -0.03 0.09 2.23 1.43 -1.26 -4.37 118.68 114.24 1wss s LEU 145 Ca 0.25 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1wss s LEU 145 Cb 0.19 2.13 -0.09 0.00 0.03 0.00 0.00 46.19 48.45 1wss s LEU 145 CO 0.52 -0.79 1.81 -0.62 0.23 0.00 0.00 176.35 177.49 1wss s ASP 146 N -2.30 6.48 0.00 2.29 2.15 -1.26 -0.29 116.67 123.74 1wss s ASP 146 Ca -0.02 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.61 1wss s ASP 146 Cb -0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1wss s ASP 146 CO -0.06 -0.98 0.00 0.54 -0.17 0.00 0.00 175.17 174.50 1wss n ARG 147 N 6.09 -0.44 -0.37 4.34 1.74 -1.26 -4.98 116.66 121.79 1wss n ARG 147 Ca 0.18 0.11 -0.03 0.00 -0.77 0.00 0.00 57.85 57.34 1wss n ARG 147 Cb 0.39 -3.71 0.02 0.00 -1.02 0.00 0.00 32.46 28.14 1wss n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wss n GLY 149 N -1.57 -0.57 3.92 -0.13 0.00 0.60 -5.08 105.19 102.36 1wss n GLY 149 Ca 0.00 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 1wss n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wss s ALA 150 N -3.63 3.32 0.58 4.61 0.00 -1.26 -4.76 121.76 120.62 1wss s ALA 150 Ca 0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1wss s ALA 150 Cb -0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1wss s ALA 150 CO 0.05 -0.73 0.93 0.95 0.00 0.00 0.00 175.76 176.96 1wss s THR 151 N -2.95 4.40 0.39 0.00 -4.23 -1.26 -1.53 115.64 110.46 1wss s THR 151 Ca 0.53 0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 61.30 1wss s THR 151 Cb -0.10 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1wss s THR 151 CO 0.45 -0.85 0.85 0.00 -0.54 0.00 0.00 174.62 174.53 1wss s ALA 152 N -3.03 3.19 -0.10 3.99 0.00 -0.60 -4.83 121.76 120.38 1wss s ALA 152 Ca 0.53 0.16 0.12 0.00 0.00 0.00 0.00 51.96 52.77 1wss s ALA 152 Cb -0.11 -2.94 -0.24 0.00 0.00 0.00 0.00 23.12 19.84 1wss s ALA 152 CO 0.49 0.16 0.46 1.28 0.00 0.00 0.00 175.76 178.14 1wss n LEU 153 N -0.71 0.84 -4.49 0.00 4.77 -1.26 -4.82 117.00 111.34 1wss n LEU 153 Ca 0.05 0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.98 1wss n LEU 153 Cb 0.54 0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 1wss n LEU 153 CO 0.41 0.47 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.89 1wss s GLU 154 N -2.56 2.58 -0.11 3.23 2.02 -1.26 -0.12 118.70 122.47 1wss s GLU 154 Ca -0.08 -0.67 -0.36 0.00 0.02 0.00 0.00 54.97 53.88 1wss s GLU 154 Cb 0.07 -2.42 -0.13 0.00 0.10 0.00 0.00 34.13 31.75 1wss s GLU 154 CO 0.82 0.61 1.79 -0.11 0.02 0.00 0.00 175.26 178.39 1wss n LEU 155 N 2.35 3.05 -4.87 1.80 7.94 -0.67 -4.85 117.00 121.74 1wss n LEU 155 Ca -0.17 1.02 -0.30 0.00 -1.11 0.00 0.00 56.01 55.44 1wss n LEU 155 Cb 0.52 -1.30 -0.05 0.00 0.53 0.00 0.00 43.42 43.12 1wss n LEU 155 CO 0.26 -0.22 -0.18 -0.04 -1.11 0.00 0.00 177.39 176.09 1wss s MET 156 N 3.48 3.24 0.04 1.96 -1.94 -0.93 -0.16 119.30 124.99 1wss s MET 156 Ca 0.93 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 54.38 1wss s MET 156 Cb -0.81 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 33.10 1wss s MET 156 CO 0.54 0.58 -0.09 0.54 -0.01 0.00 0.00 175.02 176.58 1wss s VAL 157 N -1.50 0.68 -0.06 -6.03 0.11 0.17 -1.82 120.40 111.95 1wss s VAL 157 Ca 0.33 -0.94 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1wss s VAL 157 Cb -0.12 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1wss s VAL 157 CO 0.26 -0.21 0.16 -0.22 -3.33 0.00 0.00 175.10 171.76 1wss s LEU 158 N -1.26 1.39 -0.27 2.54 2.96 0.50 -1.70 118.68 122.84 1wss s LEU 158 Ca -0.05 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.02 1wss s LEU 158 Cb -0.08 0.56 -0.04 0.00 0.50 0.00 0.00 46.19 47.13 1wss s LEU 158 CO 0.01 -0.07 0.30 0.21 -1.32 0.00 0.00 176.35 175.47 1wss s ASN 159 N 0.00 6.17 0.04 3.68 3.04 -1.26 -0.64 114.94 125.98 1wss s ASN 159 Ca -0.01 0.18 0.07 0.00 0.04 0.00 0.00 52.86 53.15 1wss s ASN 159 Cb -0.01 -2.17 -0.03 0.00 -1.54 0.00 0.00 41.25 37.50 1wss s ASN 159 CO 0.00 -0.12 -0.20 0.68 -3.04 0.00 0.00 177.10 174.42 1wss s VAL 160 N 1.90 1.64 0.15 -5.21 -7.23 -0.37 -4.94 120.40 106.34 1wss s VAL 160 Ca 0.12 -1.19 -0.26 0.00 -1.81 0.00 0.00 61.98 58.84 1wss s VAL 160 Cb -0.16 -1.43 -0.08 0.00 0.56 0.00 0.00 36.38 35.28 1wss s VAL 160 CO 0.10 0.19 0.79 -2.16 -0.31 0.00 0.00 175.10 173.71 1wss s PRO 161 N -1.19 4.58 0.26 4.82 0.04 -1.26 -2.17 135.00 140.07 1wss s PRO 161 Ca 0.07 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 1wss s PRO 161 Cb -0.09 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 1wss s PRO 161 CO 0.02 0.52 0.64 0.50 0.04 0.00 0.00 177.00 178.72 1wss s ARG 162 N -0.96 3.93 0.01 4.56 3.52 -0.23 -1.16 118.95 128.61 1wss s ARG 162 Ca 0.37 0.50 0.04 0.00 -0.13 0.00 0.00 55.73 56.51 1wss s ARG 162 Cb -0.23 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1wss s ARG 162 CO 0.26 0.27 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.39 1wss s LEU 163 N -2.75 2.08 0.51 -0.88 1.02 -0.19 -4.97 118.68 113.50 1wss s LEU 163 Ca 0.49 -0.31 -0.20 0.00 0.02 0.00 0.00 54.13 54.13 1wss s LEU 163 Cb -0.11 -0.59 -0.08 0.00 0.02 0.00 0.00 46.19 45.43 1wss s LEU 163 CO 0.19 0.10 1.07 -0.04 0.02 0.00 0.00 176.35 177.69 1wss s MET 164 N -0.61 3.64 0.26 1.70 -1.94 -1.26 -3.85 119.30 117.25 1wss s MET 164 Ca 0.03 1.46 -0.01 0.00 -1.71 0.00 0.00 55.69 55.46 1wss s MET 164 Cb -0.06 -2.07 0.50 0.00 2.01 0.00 0.00 34.83 35.22 1wss s MET 164 CO 0.00 -0.58 1.80 1.15 -0.01 0.00 0.00 175.02 177.38 1wss h THR 165 N 1.44 0.85 -0.63 2.05 2.02 -1.94 -1.72 112.91 114.98 1wss h THR 165 Ca -0.50 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 66.49 1wss h THR 165 Cb 1.24 -0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1wss h THR 165 CO 0.58 0.15 0.28 -0.61 0.37 0.00 0.00 175.52 176.30 1wss h GLN 166 N 0.81 0.49 -0.08 6.66 4.15 -2.00 -0.47 115.11 124.67 1wss h GLN 166 Ca 0.46 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.72 1wss h GLN 166 Cb 0.51 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1wss h GLN 166 CO -0.29 0.33 -0.52 -0.44 -1.93 0.00 0.00 178.83 175.97 1wss h ASP 167 N 0.51 0.24 0.11 -0.69 3.32 -1.76 -3.21 116.42 114.94 1wss h ASP 167 Ca 0.31 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1wss h ASP 167 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wss h ASP 167 CO -0.26 0.72 -0.05 0.00 -1.72 0.00 0.00 179.24 177.93 1wss n LEU 169 N -5.05 0.01 0.00 0.00 4.77 -0.31 -1.20 117.00 115.23 1wss n LEU 169 Ca -0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1wss n LEU 169 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1wss n LEU 169 CO 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 1wss n GLN 170 N 0.71 0.00 -4.01 3.23 6.02 -0.33 -4.71 117.38 118.29 1wss n GLN 170 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1wss n GLN 170 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1wss n GLN 170 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wss s SER 170 N 0.00 5.98 -0.08 1.08 0.01 -0.34 -4.75 113.70 115.60 1wss s SER 170 Ca 0.00 0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.11 1wss s SER 170 Cb 0.00 -1.70 -0.05 0.00 0.21 0.00 0.00 66.02 64.48 1wss s SER 170 CO 0.00 0.06 0.50 -0.13 0.41 0.00 0.00 173.24 174.08 1wss s ARG 170 N -3.20 4.29 0.46 12.44 0.52 -0.75 -5.04 118.95 127.68 1wss s ARG 170 Ca 0.33 0.52 -0.24 0.00 -0.52 0.00 0.00 55.73 55.81 1wss s ARG 170 Cb -0.11 -3.39 -0.08 0.00 0.52 0.00 0.00 34.95 31.90 1wss s ARG 170 CO 0.26 0.25 1.35 0.15 0.02 0.00 0.00 175.30 177.34 1wss s LYS 170 N 0.28 3.65 0.15 3.54 1.02 -1.26 -4.99 119.74 122.13 1wss s LYS 170 Ca 0.27 2.25 0.07 0.00 0.02 0.00 0.00 55.97 58.58 1wss s LYS 170 Cb -0.16 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1wss s LYS 170 CO 0.12 -0.79 -0.15 0.08 -0.92 0.00 0.00 175.35 173.69 1wss s VAL 170 N -1.27 1.55 -0.82 3.17 1.01 -1.26 -5.05 120.40 117.73 1wss s VAL 170 Ca 0.62 -1.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 1wss s VAL 170 Cb -0.40 -1.72 -0.18 0.00 0.00 0.00 0.00 36.38 34.08 1wss s VAL 170 CO 0.50 -0.41 2.52 0.61 0.00 0.00 0.00 175.10 178.32 1wss n GLY 170 N 0.31 -0.25 4.11 4.51 0.00 -1.26 -2.07 105.19 110.54 1wss n GLY 170 Ca -0.14 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 1wss n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wss n ASP 170 N 12.35 -0.73 -4.74 1.61 8.00 -1.26 -4.92 116.55 126.86 1wss n ASP 170 Ca 0.55 -1.07 -0.32 0.00 0.71 0.00 0.00 54.79 54.66 1wss n ASP 170 Cb 0.24 -2.64 0.10 0.00 -0.02 0.00 0.00 41.12 38.80 1wss n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wss s SER 170 N -4.11 4.26 0.57 -2.24 1.04 -0.88 -4.97 113.70 107.37 1wss s SER 170 Ca 0.19 2.06 -0.20 0.00 0.48 0.00 0.00 55.95 58.47 1wss s SER 170 Cb -0.10 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 1wss s SER 170 CO 0.92 -2.21 1.29 -2.84 0.98 0.00 0.00 173.24 171.39 1wss s PRO 170 N -4.43 3.03 0.47 4.02 0.02 -1.26 -4.99 135.00 131.85 1wss s PRO 170 Ca 0.67 2.07 -0.19 0.00 0.02 0.00 0.00 61.00 63.56 1wss s PRO 170 Cb -0.22 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 32.10 1wss s PRO 170 CO 0.50 -1.23 0.97 -0.80 -0.33 0.00 0.00 177.00 176.12 1wss s ASN 175 N -1.23 6.75 -0.39 2.53 0.01 -1.26 -5.00 114.94 116.35 1wss s ASN 175 Ca 0.75 1.69 -0.19 0.00 -0.71 0.00 0.00 52.86 54.40 1wss s ASN 175 Cb -0.37 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 38.77 1wss s ASN 175 CO 0.42 -0.50 0.54 -0.63 -1.51 0.00 0.00 177.10 175.42 1wss s ILE 176 N -2.29 4.97 0.47 0.60 1.01 -1.26 -4.96 121.20 119.74 1wss s ILE 176 Ca 0.62 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 1wss s ILE 176 Cb -0.10 -4.05 0.10 0.00 0.01 0.00 0.00 42.46 38.41 1wss s ILE 176 CO 0.20 -0.36 0.65 0.35 0.00 0.00 0.00 174.94 175.77 1wss n THR 177 N 5.55 0.00 1.56 2.92 -2.24 -1.26 -4.95 114.28 115.86 1wss n THR 177 Ca -0.04 -0.95 0.13 0.00 -2.27 0.00 0.00 64.05 60.92 1wss n THR 177 Cb 0.48 -1.13 0.77 0.00 -2.10 0.00 0.00 70.33 68.35 1wss n THR 177 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wss n GLU 178 N -2.22 0.70 -0.31 -0.78 0.00 -1.26 -2.16 120.64 114.62 1wss n GLU 178 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 57.16 57.38 1wss n GLU 178 Cb 0.37 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.59 1wss n GLU 178 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1wss n TYR 179 N -1.09 0.80 -4.35 -1.84 4.01 -1.26 -4.88 117.16 108.55 1wss n TYR 179 Ca 0.18 -0.45 -0.19 0.00 -0.16 0.00 0.00 57.90 57.28 1wss n TYR 179 Cb 0.13 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 1wss n TYR 179 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1wss s MET 180 N -1.08 1.64 -0.17 -0.72 -1.94 -0.92 -0.34 119.30 115.76 1wss s MET 180 Ca 0.43 -1.94 -0.29 0.00 -1.71 0.00 0.00 55.69 52.18 1wss s MET 180 Cb 0.23 -0.15 0.12 0.00 2.01 0.00 0.00 34.83 37.03 1wss s MET 180 CO 0.30 -0.45 0.95 -0.59 -0.01 0.00 0.00 175.02 175.22 1wss s PHE 181 N -3.55 -0.45 0.16 -0.03 -0.12 -0.77 -4.61 117.98 108.60 1wss s PHE 181 Ca 0.35 0.86 -0.01 0.00 -0.05 0.00 0.00 56.93 58.08 1wss s PHE 181 Cb 0.05 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1wss s PHE 181 CO 0.18 -0.36 0.34 0.00 -0.05 0.00 0.00 175.22 175.33 1wss s ALA 183 N -1.74 -1.50 0.00 0.00 0.00 -0.70 -1.02 121.76 116.79 1wss s ALA 183 Ca 0.38 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1wss s ALA 183 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1wss s ALA 183 CO 0.28 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wss n GLY 184 N 1.22 0.51 3.11 0.00 0.00 -0.31 -1.74 105.19 107.99 1wss n GLY 184 Ca -0.19 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.62 1wss n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wss s TYR 184 N -0.96 0.97 -1.78 1.61 1.51 -1.24 -4.38 117.35 113.09 1wss s TYR 184 Ca 0.00 -0.43 0.21 0.00 -1.01 0.00 0.00 57.07 55.84 1wss s TYR 184 Cb 0.00 -0.56 0.62 0.00 -0.11 0.00 0.00 41.96 41.90 1wss s TYR 184 CO 0.00 -0.00 1.52 -1.13 -1.11 0.00 0.00 175.55 174.82 1wss n SER 185 N 1.56 3.92 -0.91 2.29 3.41 -1.26 -4.31 113.62 118.32 1wss n SER 185 Ca -0.21 -2.04 0.10 0.00 -0.26 0.00 0.00 58.87 56.46 1wss n SER 185 Cb 0.55 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.29 1wss n SER 185 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wss n ASP 186 N 1.48 2.67 -1.35 4.04 5.68 -1.26 0.76 116.55 128.57 1wss n ASP 186 Ca 0.23 -1.92 -0.10 0.00 -0.50 0.00 0.00 54.79 52.50 1wss n ASP 186 Cb 0.63 -0.25 0.01 0.00 -1.14 0.00 0.00 41.12 40.36 1wss n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wss n GLY 187 N 1.33 0.06 0.04 6.12 0.00 -1.26 -4.79 105.19 106.69 1wss n GLY 187 Ca 0.18 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1wss n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wss n SER 188 N -0.07 3.39 -3.87 1.61 3.41 -1.26 -4.88 113.62 111.95 1wss n SER 188 Ca -0.08 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.37 1wss n SER 188 Cb 0.57 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 1wss n SER 188 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wss s LYS 188 N -2.16 0.05 0.00 4.33 1.02 -1.26 -3.95 119.74 117.77 1wss s LYS 188 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1wss s LYS 188 Cb 0.03 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1wss s LYS 188 CO 0.18 -0.01 0.00 -3.47 -0.92 0.00 0.00 175.35 171.14 1wss n ASP 189 N 2.97 0.00 -4.65 2.83 2.03 -0.79 -3.66 116.55 115.27 1wss n ASP 189 Ca -0.13 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.93 1wss n ASP 189 Cb 0.60 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.10 1wss n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wss s SER 190 N 0.00 4.30 0.30 1.67 1.04 -1.26 -0.09 113.70 119.66 1wss s SER 190 Ca 0.00 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 1wss s SER 190 Cb 0.00 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1wss s SER 190 CO 0.00 -1.90 0.40 0.00 0.98 0.00 0.00 173.24 172.72 1wss n LYS 192 N -0.50 -0.25 0.00 0.00 4.81 -1.26 0.28 118.16 121.25 1wss n LYS 192 Ca 0.01 0.98 0.06 0.00 -0.87 0.00 0.00 58.31 58.49 1wss n LYS 192 Cb 0.62 -1.45 0.30 0.00 0.02 0.00 0.00 35.03 34.52 1wss n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wss n GLY 193 N -1.14 -0.58 0.07 3.14 0.00 -1.26 -1.79 105.19 103.64 1wss n GLY 193 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1wss n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wss n ASP 194 N -1.21 0.65 -4.25 1.61 8.00 0.14 -3.75 116.55 117.74 1wss n ASP 194 Ca 0.06 -0.44 -0.49 0.00 0.71 0.00 0.00 54.79 54.64 1wss n ASP 194 Cb 0.08 0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 1wss n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wss n SER 195 N -1.25 -0.91 0.00 -2.24 7.64 -0.74 -0.68 113.62 115.45 1wss n SER 195 Ca 0.08 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1wss n SER 195 Cb 0.34 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1wss n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wss n GLY 196 N 1.80 2.92 3.72 0.23 0.00 -0.08 -0.14 105.19 113.64 1wss n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1wss n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wss s GLY 197 N -1.96 1.65 0.48 -0.02 0.00 0.15 -3.10 107.32 104.52 1wss s GLY 197 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.71 1wss s GLY 197 CO 0.00 0.60 0.99 2.56 0.00 0.00 0.00 173.10 177.25 1wss s PRO 198 N -4.85 3.97 -0.46 2.90 0.04 -1.26 -1.29 135.00 134.04 1wss s PRO 198 Ca 0.63 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1wss s PRO 198 Cb -0.19 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.35 1wss s PRO 198 CO 0.57 -0.26 0.23 -1.58 0.04 0.00 0.00 177.00 176.00 1wss s HIS 199 N -2.32 2.69 -0.07 0.56 2.46 -0.30 -3.55 115.29 114.75 1wss s HIS 199 Ca 0.62 -2.80 -0.13 0.00 0.47 0.00 0.00 55.06 53.21 1wss s HIS 199 Cb -0.11 -2.41 -0.05 0.00 -0.13 0.00 0.00 32.58 29.87 1wss s HIS 199 CO 0.23 -0.78 0.34 0.00 -2.47 0.00 0.00 174.74 172.05 1wss s ALA 200 N 0.14 3.68 -0.15 1.58 0.00 -0.21 -1.72 121.76 125.08 1wss s ALA 200 Ca 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1wss s ALA 200 Cb -0.25 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 1wss s ALA 200 CO -0.02 0.36 -0.10 0.99 0.00 0.00 0.00 175.76 177.00 1wss s THR 201 N -0.51 3.23 -0.16 0.00 2.01 0.09 -0.70 115.64 119.59 1wss s THR 201 Ca 0.20 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.44 1wss s THR 201 Cb -0.15 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1wss s THR 201 CO 0.09 0.50 0.50 -2.28 -0.69 0.00 0.00 174.62 172.74 1wss s HIS 202 N 0.61 3.43 -0.19 4.92 2.46 -1.26 -0.46 115.29 124.81 1wss s HIS 202 Ca -0.06 0.83 -0.04 0.00 0.47 0.00 0.00 55.06 56.26 1wss s HIS 202 Cb -0.15 -2.62 0.08 0.00 -0.13 0.00 0.00 32.58 29.76 1wss s HIS 202 CO 0.03 0.02 0.18 -0.47 -2.47 0.00 0.00 174.74 172.03 1wss s TYR 203 N 1.19 -0.15 -1.17 3.88 5.04 0.14 -4.96 117.35 121.32 1wss s TYR 203 Ca 0.25 0.08 -0.19 0.00 -2.44 0.00 0.00 57.07 54.77 1wss s TYR 203 Cb -0.15 -0.45 -0.01 0.00 0.35 0.00 0.00 41.96 41.70 1wss s TYR 203 CO 0.10 -0.57 0.76 0.54 -1.34 0.00 0.00 175.55 175.04 1wss n ARG 204 N 5.31 -1.52 -0.37 4.97 1.74 -1.26 -2.59 116.66 122.94 1wss n ARG 204 Ca -0.06 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1wss n ARG 204 Cb 0.49 -4.20 0.00 0.00 -1.02 0.00 0.00 32.46 27.74 1wss n ARG 204 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wss n GLY 205 N -1.70 1.84 3.02 -0.13 0.00 -1.26 -5.02 105.19 101.95 1wss n GLY 205 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 1wss n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wss s THR 206 N -3.22 0.63 -0.09 2.61 2.01 -1.07 -5.14 115.64 111.37 1wss s THR 206 Ca 0.00 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 1wss s THR 206 Cb 0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1wss s THR 206 CO 0.00 0.04 0.18 0.26 -0.69 0.00 0.00 174.62 174.41 1wss s TRP 207 N -0.47 3.61 0.13 4.92 0.52 -1.26 -0.69 118.94 125.70 1wss s TRP 207 Ca 0.00 0.56 0.07 0.00 0.02 0.00 0.00 56.10 56.75 1wss s TRP 207 Cb -0.05 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1wss s TRP 207 CO 0.00 0.72 -0.15 0.71 0.02 0.00 0.00 176.95 178.24 1wss s TYR 208 N -1.08 1.51 -0.31 -1.98 1.51 0.40 -3.09 117.35 114.31 1wss s TYR 208 Ca 0.18 -0.53 -0.24 0.00 -1.01 0.00 0.00 57.07 55.47 1wss s TYR 208 Cb -0.13 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1wss s TYR 208 CO 0.07 0.19 0.80 -1.17 -1.11 0.00 0.00 175.55 174.32 1wss s LEU 209 N -2.46 4.08 -0.03 -1.29 2.96 0.25 -0.74 118.68 121.46 1wss s LEU 209 Ca 0.10 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1wss s LEU 209 Cb -0.05 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1wss s LEU 209 CO 0.04 -0.62 0.04 0.35 -1.32 0.00 0.00 176.35 174.84 1wss n THR 210 N 5.55 0.17 -4.06 3.68 -2.24 -0.73 -4.52 114.28 112.13 1wss n THR 210 Ca 0.04 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1wss n THR 210 Cb 0.48 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 1wss n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wss s GLY 211 N -3.12 0.90 -0.03 3.38 0.00 -0.70 -2.74 107.32 105.01 1wss s GLY 211 Ca -0.02 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1wss s GLY 211 CO 0.17 -0.86 -0.09 -0.42 0.00 0.00 0.00 173.10 171.90 1wss s ILE 212 N -3.87 0.78 0.04 0.90 1.01 -1.18 -1.15 121.20 117.73 1wss s ILE 212 Ca 0.28 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1wss s ILE 212 Cb 0.01 -0.72 -0.08 0.00 0.01 0.00 0.00 42.46 41.68 1wss s ILE 212 CO 0.12 0.26 1.85 -0.69 0.00 0.00 0.00 174.94 176.47 1wss s VAL 213 N 0.39 3.04 0.10 2.92 1.01 -0.41 -1.59 120.40 125.86 1wss s VAL 213 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1wss s VAL 213 Cb -0.11 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1wss s VAL 213 CO 0.01 -0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 1wss n SER 214 N 6.89 0.62 -2.14 3.32 2.88 -1.06 -0.91 113.62 123.22 1wss n SER 214 Ca 0.19 0.16 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 1wss n SER 214 Cb 0.41 -0.13 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1wss n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wss n TRP 215 N -3.23 -1.66 0.00 0.66 4.27 -0.94 -4.96 117.44 111.58 1wss n TRP 215 Ca 0.00 -1.24 0.00 0.00 -3.89 0.00 0.00 57.50 52.37 1wss n TRP 215 Cb 0.00 0.52 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1wss n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1wss n GLY 216 N -0.34 2.60 3.56 -1.67 0.00 -1.26 -0.89 105.19 107.19 1wss n GLY 216 Ca -0.04 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1wss n GLY 216 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wss s GLN 217 N -2.00 2.92 3.49 1.61 2.00 -1.26 -4.79 119.66 121.63 1wss s GLN 217 Ca 0.00 0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.78 1wss s GLN 217 Cb 0.00 -4.28 0.00 0.00 0.80 0.00 0.00 33.01 29.53 1wss s GLN 217 CO 0.00 -2.40 0.00 0.41 -0.50 0.00 0.00 175.29 172.80 1wss n GLY 219 N 5.53 1.23 2.80 2.59 0.00 -1.26 -4.20 105.19 111.88 1wss n GLY 219 Ca 0.15 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1wss n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wss n ALA 221 N 4.97 -1.69 -2.33 0.00 0.00 -1.26 -4.40 120.51 115.79 1wss n ALA 221 Ca -0.10 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1wss n ALA 221 Cb 0.47 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 1wss n ALA 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wss s THR 221 N -3.30 4.76 0.14 0.00 2.01 -1.26 -4.08 115.64 113.92 1wss s THR 221 Ca 0.01 1.30 -0.33 0.00 0.31 0.00 0.00 61.69 62.99 1wss s THR 221 Cb -0.00 -3.95 -0.12 0.00 0.01 0.00 0.00 72.50 68.44 1wss s THR 221 CO 0.61 0.49 1.71 0.52 -0.69 0.00 0.00 174.62 177.26 1wss n VAL 222 N 2.13 0.14 -0.84 3.82 0.31 -1.26 -1.48 118.33 121.16 1wss n VAL 222 Ca -0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1wss n VAL 222 Cb 0.51 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1wss n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wss n GLY 223 N 3.87 0.51 2.98 2.92 0.00 0.23 -4.92 105.19 110.78 1wss n GLY 223 Ca 0.17 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1wss n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wss s HIS 224 N -2.00 0.17 0.31 1.61 4.02 -0.55 -1.80 115.29 117.05 1wss s HIS 224 Ca 0.00 -0.36 0.09 0.00 1.02 0.00 0.00 55.06 55.82 1wss s HIS 224 Cb 0.00 -0.13 -0.05 0.00 -1.02 0.00 0.00 32.58 31.38 1wss s HIS 224 CO 0.00 -0.16 -0.01 -0.06 1.02 0.00 0.00 174.74 175.53 1wss s PHE 225 N -1.14 2.58 0.45 1.40 0.08 -1.26 -4.01 117.98 116.08 1wss s PHE 225 Ca -0.12 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.38 1wss s PHE 225 Cb -0.08 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.93 1wss s PHE 225 CO -0.00 0.54 0.97 0.20 -0.10 0.00 0.00 175.22 176.82 1wss s GLY 226 N -3.69 2.33 -0.08 4.36 0.00 -0.71 -4.52 107.32 105.01 1wss s GLY 226 Ca 0.33 0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.47 1wss s GLY 226 CO 0.19 0.65 -0.21 0.14 0.00 0.00 0.00 173.10 173.88 1wss s VAL 227 N -2.26 2.37 0.17 1.40 1.01 -0.07 -1.71 120.40 121.31 1wss s VAL 227 Ca 0.62 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.76 1wss s VAL 227 Cb -0.10 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1wss s VAL 227 CO 0.18 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.31 1wss s TYR 228 N 0.02 2.05 0.08 5.22 1.51 -0.23 -2.22 117.35 123.79 1wss s TYR 228 Ca -0.08 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.27 1wss s TYR 228 Cb -0.15 -1.03 -0.06 0.00 -0.11 0.00 0.00 41.96 40.61 1wss s TYR 228 CO 0.05 0.40 1.22 0.99 -1.11 0.00 0.00 175.55 177.10 1wss s THR 229 N -1.75 3.90 -1.01 -0.71 2.01 -0.62 -1.85 115.64 115.61 1wss s THR 229 Ca 0.17 1.39 -0.23 0.00 0.31 0.00 0.00 61.69 63.33 1wss s THR 229 Cb -0.07 -3.89 0.05 0.00 0.01 0.00 0.00 72.50 68.59 1wss s THR 229 CO 0.08 0.12 1.45 -0.60 -0.69 0.00 0.00 174.62 174.98 1wss s ARG 230 N 0.92 3.55 0.49 4.92 3.52 0.54 -3.07 118.95 129.81 1wss s ARG 230 Ca 0.59 -1.07 0.20 0.00 -0.13 0.00 0.00 55.73 55.32 1wss s ARG 230 Cb -0.31 -5.30 1.23 0.00 -1.56 0.00 0.00 34.95 29.01 1wss s ARG 230 CO 0.30 -2.23 1.99 0.28 -0.81 0.00 0.00 175.30 174.83 1wss h VAL 231 N 6.78 0.81 -0.23 7.11 2.07 -1.81 -1.89 116.25 129.09 1wss h VAL 231 Ca 0.18 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1wss h VAL 231 Cb 1.01 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1wss h VAL 231 CO 1.42 0.03 0.28 0.77 0.02 0.00 0.00 177.57 180.09 1wss h SER 232 N 0.18 0.00 0.76 0.57 4.64 -1.88 0.42 113.55 118.24 1wss h SER 232 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1wss h SER 232 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1wss h SER 232 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1wss n GLN 233 N -3.69 0.19 -0.02 4.77 1.13 -0.71 -3.60 117.38 115.44 1wss n GLN 233 Ca 0.03 0.02 0.01 0.00 -1.94 0.00 0.00 57.00 55.12 1wss n GLN 233 Cb 0.41 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.28 1wss n GLN 233 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1wss n TYR 234 N -1.40 0.06 -0.07 1.08 4.01 0.15 -4.80 117.16 116.18 1wss n TYR 234 Ca 0.10 -0.27 -0.10 0.00 -0.16 0.00 0.00 57.90 57.47 1wss n TYR 234 Cb 0.28 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 1wss n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wss h ILE 235 N 0.47 0.19 -0.41 -0.72 1.08 -1.58 0.20 117.51 116.73 1wss h ILE 235 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1wss h ILE 235 Cb 0.35 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1wss h ILE 235 CO 0.00 0.00 0.26 -0.33 -0.69 0.00 0.00 178.15 177.39 1wss h GLU 236 N -0.35 0.51 -0.38 2.37 5.08 -1.87 0.04 114.58 119.98 1wss h GLU 236 Ca 0.13 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1wss h GLU 236 Cb 0.57 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1wss h GLU 236 CO -0.49 0.34 0.11 2.35 -1.00 0.00 0.00 179.01 180.32 1wss h TRP 237 N 0.53 0.19 -0.27 4.33 7.01 -1.69 -0.06 115.95 125.99 1wss h TRP 237 Ca 0.16 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 1wss h TRP 237 Cb -0.03 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1wss h TRP 237 CO -0.06 0.06 0.07 -0.07 -2.79 0.00 0.00 178.44 175.65 1wss h LEU 238 N 0.25 0.40 -0.75 0.65 3.38 -0.23 -2.55 115.31 116.47 1wss h LEU 238 Ca 0.18 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1wss h LEU 238 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1wss h LEU 238 CO -0.20 0.52 0.28 1.56 0.09 0.00 0.00 178.44 180.69 1wss h GLN 239 N 0.27 1.13 -0.54 1.13 4.20 -0.65 -0.78 115.11 119.87 1wss h GLN 239 Ca 0.09 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1wss h GLN 239 Cb 0.27 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1wss h GLN 239 CO -0.00 0.94 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.80 1wss h LYS 240 N 1.09 0.99 -0.43 1.46 3.64 -1.00 -3.07 116.57 119.25 1wss h LYS 240 Ca 0.25 -0.34 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1wss h LYS 240 Cb 0.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1wss h LYS 240 CO -0.02 1.02 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.88 1wss h LEU 241 N 0.89 0.95 -1.89 5.20 3.38 -1.17 -3.00 115.31 119.67 1wss h LEU 241 Ca 0.15 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1wss h LEU 241 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wss h LEU 241 CO 0.04 1.15 0.00 0.24 0.09 0.00 0.00 178.44 179.96 1wss h MET 242 N 0.74 0.00 -0.40 1.13 2.86 -1.09 -0.94 114.93 117.23 1wss h MET 242 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1wss h MET 242 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1wss h MET 242 CO 0.07 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.58 1wss n ARG 243 N -2.85 2.44 -3.51 1.72 1.74 -1.14 -4.97 116.66 110.09 1wss n ARG 243 Ca -0.01 -2.18 -0.21 0.00 -0.77 0.00 0.00 57.85 54.68 1wss n ARG 243 Cb 0.18 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 1wss n ARG 243 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wss s SER 244 N -1.44 6.12 0.28 0.55 0.01 -0.36 -5.09 113.70 113.78 1wss s SER 244 Ca 0.39 0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.49 1wss s SER 244 Cb 0.22 -1.66 -0.09 0.00 0.21 0.00 0.00 66.02 64.70 1wss s SER 244 CO 0.31 -0.34 0.95 -1.61 0.41 0.00 0.00 173.24 172.96 1wss s GLU 245 N -4.22 4.72 0.39 12.44 2.02 -1.26 -5.01 118.70 127.78 1wss s GLU 245 Ca 0.41 1.44 -0.27 0.00 0.02 0.00 0.00 54.97 56.57 1wss s GLU 245 Cb -0.09 -3.06 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 1wss s GLU 245 CO 0.33 0.39 1.43 -1.25 0.02 0.00 0.00 175.26 176.18 1wss s PRO 246 N -1.58 4.02 0.42 0.39 0.04 -1.26 -5.02 135.00 132.02 1wss s PRO 246 Ca 0.45 2.46 -0.03 0.00 0.04 0.00 0.00 61.00 63.92 1wss s PRO 246 Cb -0.23 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1wss s PRO 246 CO 0.29 -0.56 0.68 1.03 0.04 0.00 0.00 177.00 178.49 1wss s ARG 247 N -2.16 3.54 0.08 4.56 1.81 -1.26 -5.04 118.95 120.48 1wss s ARG 247 Ca 0.55 0.01 -0.21 0.00 -1.72 0.00 0.00 55.73 54.35 1wss s ARG 247 Cb -0.44 -2.50 -0.07 0.00 -0.45 0.00 0.00 34.95 31.48 1wss s ARG 247 CO 0.59 -0.04 1.35 -1.35 -0.68 0.00 0.00 175.30 175.17 1wss h PRO 248 N 0.57 -0.28 -7.53 3.54 0.11 -1.96 -3.44 132.00 123.01 1wss h PRO 248 Ca -0.48 0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.19 1wss h PRO 248 Cb 1.21 0.06 0.12 0.00 0.11 0.00 0.00 31.00 32.50 1wss h PRO 248 CO 0.62 -0.19 0.32 0.20 -0.21 0.00 0.00 178.00 178.74 1wss s GLY 249 N -1.85 1.72 -0.03 -0.55 0.00 -1.26 -5.03 107.32 100.32 1wss s GLY 249 Ca -0.09 -1.11 -0.20 0.00 0.00 0.00 0.00 44.72 43.31 1wss s GLY 249 CO 0.39 -0.52 0.87 -2.08 0.00 0.00 0.00 173.10 171.76 1wss h VAL 250 N -1.07 0.50 -3.40 1.40 2.07 -1.86 -3.45 116.25 110.45 1wss h VAL 250 Ca -0.43 -0.81 -0.52 0.00 0.82 0.00 0.00 66.70 65.75 1wss h VAL 250 Cb 1.28 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1wss h VAL 250 CO 0.50 0.12 0.54 -0.22 0.02 0.00 0.00 177.57 178.52 1wss s LEU 251 N -9.16 4.43 -0.02 2.57 2.96 -1.26 -1.24 118.68 116.95 1wss s LEU 251 Ca -0.11 2.12 -0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1wss s LEU 251 Cb 0.01 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.13 1wss s LEU 251 CO 0.41 -0.37 0.04 -0.22 -1.32 0.00 0.00 176.35 174.89 1wss s LEU 252 N 0.20 0.86 -0.38 -0.68 2.96 -0.14 -4.94 118.68 116.56 1wss s LEU 252 Ca 0.54 0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.39 1wss s LEU 252 Cb -0.31 -0.08 0.04 0.00 0.50 0.00 0.00 46.19 46.34 1wss s LEU 252 CO 0.33 -0.16 0.22 -0.13 -1.32 0.00 0.00 176.35 175.30 1wss s ARG 253 N 1.32 2.80 -0.13 1.98 3.00 -1.26 -1.01 118.95 125.64 1wss s ARG 253 Ca -0.06 -1.14 -0.07 0.00 0.00 0.00 0.00 55.73 54.46 1wss s ARG 253 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 34.95 31.02 1wss s ARG 253 CO -0.03 -0.75 0.12 0.00 0.00 0.00 0.00 175.30 174.65 1wss s ALA 254 N 1.54 3.78 0.68 2.13 0.00 -0.70 -4.70 121.76 124.49 1wss s ALA 254 Ca 0.02 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 1wss s ALA 254 Cb -0.20 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 1wss s ALA 254 CO 0.06 0.52 1.07 -0.35 0.00 0.00 0.00 175.76 177.06 1wss n PRO 255 N 2.33 0.73 -3.72 0.00 -0.04 -1.26 0.07 135.00 133.11 1wss n PRO 255 Ca -0.19 0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1wss n PRO 255 Cb 0.54 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.58 1wss n PRO 255 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wss s PHE 256 N -1.65 -0.45 -0.90 0.54 5.36 -1.26 -4.73 117.98 114.89 1wss s PHE 256 Ca 0.77 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 1wss s PHE 256 Cb -0.37 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.47 1wss s PHE 256 CO 0.47 -0.27 0.23 -2.30 -1.46 0.00 0.00 175.22 171.88