#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wht h VAL 3 N 0.00 0.89 -3.68 0.44 2.07 -1.98 -3.39 116.25 110.60 2wht h VAL 3 Ca 0.00 -0.09 -0.69 0.00 0.82 0.00 0.00 66.70 66.74 2wht h VAL 3 Cb 0.00 0.61 -0.30 0.00 -1.52 0.00 0.00 31.29 30.08 2wht h VAL 3 CO 0.00 0.05 -0.65 -0.63 0.02 0.00 0.00 177.57 176.35 2wht s ILE 4 N -6.16 3.47 0.68 4.57 1.01 -1.26 -4.88 121.20 118.62 2wht s ILE 4 Ca -0.13 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 2wht s ILE 4 Cb 0.12 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2wht s ILE 4 CO 0.71 -0.08 1.07 0.00 0.00 0.00 0.00 174.94 176.63 2wht s ALA 5 N 1.36 2.97 0.42 9.38 0.00 -1.26 -4.97 121.76 129.65 2wht s ALA 5 Ca -0.02 -0.37 0.27 0.00 0.00 0.00 0.00 51.96 51.83 2wht s ALA 5 Cb -0.19 -2.97 1.42 0.00 0.00 0.00 0.00 23.12 21.38 2wht s ALA 5 CO 0.01 -1.06 2.07 0.87 0.00 0.00 0.00 175.76 177.65 2wht h LYS 6 N -0.56 0.00 -4.29 0.00 1.57 -1.98 -3.40 116.57 107.91 2wht h LYS 6 Ca -0.45 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.81 2wht h LYS 6 Cb 1.25 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.20 2wht h LYS 6 CO 0.63 0.12 -0.80 -1.14 -0.57 0.00 0.00 179.45 177.69 2wht s GLN 7 N -4.22 1.53 0.09 3.15 2.00 -1.26 -3.94 119.66 117.01 2wht s GLN 7 Ca -0.03 -0.28 0.02 0.00 -2.00 0.00 0.00 55.36 53.07 2wht s GLN 7 Cb 0.13 -1.50 -0.04 0.00 0.80 0.00 0.00 33.01 32.40 2wht s GLN 7 CO 0.59 -0.19 -0.07 -1.64 -0.50 0.00 0.00 175.29 173.48 2wht s MET 8 N 1.41 0.77 0.51 1.67 -1.94 -0.43 -5.01 119.30 116.28 2wht s MET 8 Ca -0.01 -1.19 0.04 0.00 -1.71 0.00 0.00 55.69 52.82 2wht s MET 8 Cb -0.13 -0.27 0.00 0.00 2.01 0.00 0.00 34.83 36.44 2wht s MET 8 CO -0.05 0.01 0.19 0.95 -0.01 0.00 0.00 175.02 176.11 2wht s THR 9 N -3.01 1.54 0.07 2.05 -4.23 -0.67 -1.33 115.64 110.05 2wht s THR 9 Ca 0.06 -1.75 -0.23 0.00 -1.18 0.00 0.00 61.69 58.59 2wht s THR 9 Cb 0.01 -2.29 0.06 0.00 1.34 0.00 0.00 72.50 71.62 2wht s THR 9 CO -0.03 0.00 0.54 -0.72 -0.54 0.00 0.00 174.62 173.87 2wht s TYR 10 N -2.79 -0.46 -0.14 3.99 -0.85 0.04 -1.19 117.35 115.95 2wht s TYR 10 Ca 0.23 0.47 0.01 0.00 -0.52 0.00 0.00 57.07 57.25 2wht s TYR 10 Cb 0.01 0.39 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 2wht s TYR 10 CO 0.13 -0.69 -0.18 0.21 -1.52 0.00 0.00 175.55 173.51 2wht s LYS 11 N -2.69 3.17 -0.12 -3.49 2.47 0.24 0.41 119.74 119.74 2wht s LYS 11 Ca -0.04 -0.78 0.02 0.00 -1.56 0.00 0.00 55.97 53.61 2wht s LYS 11 Cb -0.00 -2.55 -0.00 0.00 -1.46 0.00 0.00 37.83 33.81 2wht s LYS 11 CO -0.04 0.05 -0.20 0.54 0.16 0.00 0.00 175.35 175.86 2wht s VAL 12 N 0.72 2.44 -0.25 4.02 0.11 -0.27 -0.11 120.40 127.06 2wht s VAL 12 Ca -0.08 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 2wht s VAL 12 Cb -0.16 -1.98 0.02 0.00 -1.53 0.00 0.00 36.38 32.74 2wht s VAL 12 CO 0.01 0.54 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.96 2wht s TYR 13 N 0.40 3.07 -0.07 1.54 1.51 0.58 -1.03 117.35 123.34 2wht s TYR 13 Ca -0.15 -1.53 0.03 0.00 -1.01 0.00 0.00 57.07 54.42 2wht s TYR 13 Cb -0.17 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 2wht s TYR 13 CO 0.07 -0.72 -0.15 1.41 -1.11 0.00 0.00 175.55 175.04 2wht s MET 14 N 1.33 2.73 0.05 -0.62 1.75 0.18 -0.33 119.30 124.39 2wht s MET 14 Ca 0.00 -0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 53.72 2wht s MET 14 Cb -0.17 -2.42 -0.04 0.00 2.84 0.00 0.00 34.83 35.05 2wht s MET 14 CO -0.04 0.49 -0.03 -1.54 -0.65 0.00 0.00 175.02 173.25 2wht s SER 15 N -0.38 0.47 0.00 1.11 1.04 -0.63 -0.78 113.70 114.53 2wht s SER 15 Ca 0.04 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2wht s SER 15 Cb -0.12 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2wht s SER 15 CO 0.02 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2wht n GLY 16 N 0.43 -1.46 2.83 7.32 0.00 -0.94 -1.21 105.19 112.16 2wht n GLY 16 Ca -0.16 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 2wht n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wht s THR 17 N -2.90 0.25 -0.16 2.61 2.01 -0.58 -1.36 115.64 115.52 2wht s THR 17 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2wht s THR 17 Cb 0.00 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.21 2wht s THR 17 CO 0.00 0.16 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.25 2wht s VAL 18 N 0.99 1.67 -1.45 3.82 1.01 -0.54 -0.17 120.40 125.73 2wht s VAL 18 Ca -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2wht s VAL 18 Cb -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2wht s VAL 18 CO -0.01 0.46 0.26 0.59 0.00 0.00 0.00 175.10 176.39 2wht n ASN 19 N 4.74 -0.04 0.00 3.32 4.13 -0.03 -1.12 115.26 126.25 2wht n ASN 19 Ca -0.18 -1.13 0.00 0.00 1.68 0.00 0.00 54.58 54.95 2wht n ASN 19 Cb 0.50 -2.40 0.00 0.00 -1.54 0.00 0.00 39.78 36.34 2wht n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wht n GLY 20 N -2.23 2.66 3.58 7.41 0.00 -1.26 -4.99 105.19 110.36 2wht n GLY 20 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2wht n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wht s HIS 21 N -2.41 3.00 0.44 1.61 5.04 -0.28 -5.02 115.29 117.66 2wht s HIS 21 Ca 0.00 0.50 -0.21 0.00 -1.54 0.00 0.00 55.06 53.81 2wht s HIS 21 Cb 0.00 -3.77 -0.10 0.00 0.04 0.00 0.00 32.58 28.74 2wht s HIS 21 CO 0.00 -0.96 0.97 -0.47 -2.34 0.00 0.00 174.74 171.94 2wht s TYR 22 N 3.54 3.24 0.11 3.88 5.04 -1.26 -1.47 117.35 130.43 2wht s TYR 22 Ca 0.36 1.60 -0.25 0.00 -2.44 0.00 0.00 57.07 56.34 2wht s TYR 22 Cb -0.11 -2.90 0.08 0.00 0.35 0.00 0.00 41.96 39.37 2wht s TYR 22 CO 0.23 -0.27 0.76 -0.59 -1.34 0.00 0.00 175.55 174.33 2wht s PHE 23 N -2.13 -0.39 0.04 4.97 -0.12 -0.46 -4.41 117.98 115.49 2wht s PHE 23 Ca 0.63 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 57.71 2wht s PHE 23 Cb -0.11 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 2wht s PHE 23 CO 0.15 -0.77 -0.08 -1.21 -0.05 0.00 0.00 175.22 173.25 2wht s GLU 24 N -3.48 0.55 -0.01 1.99 2.02 0.07 -2.22 118.70 117.62 2wht s GLU 24 Ca 0.05 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.29 2wht s GLU 24 Cb -0.02 -0.33 -0.00 0.00 0.10 0.00 0.00 34.13 33.88 2wht s GLU 24 CO -0.08 0.06 -0.07 0.08 0.02 0.00 0.00 175.26 175.27 2wht s VAL 25 N -1.37 0.60 -0.02 2.63 1.01 0.04 -0.93 120.40 122.37 2wht s VAL 25 Ca -0.09 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.65 2wht s VAL 25 Cb -0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2wht s VAL 25 CO 0.01 0.18 -0.23 -1.61 0.00 0.00 0.00 175.10 173.45 2wht s GLU 26 N -0.05 1.89 0.05 2.72 2.02 -0.44 -0.65 118.70 124.24 2wht s GLU 26 Ca 0.01 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.20 2wht s GLU 26 Cb -0.04 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 2wht s GLU 26 CO -0.00 0.48 -0.06 0.20 0.02 0.00 0.00 175.26 175.89 2wht s GLY 27 N -0.49 0.52 -0.21 -1.39 0.00 -0.20 -1.16 107.32 104.39 2wht s GLY 27 Ca 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 2wht s GLY 27 CO -0.01 -0.99 -0.12 0.99 0.00 0.00 0.00 173.10 172.98 2wht s ASP 28 N -2.02 3.79 0.32 1.64 1.01 -0.55 -1.12 116.67 119.74 2wht s ASP 28 Ca -0.04 -0.67 0.09 0.00 0.71 0.00 0.00 52.55 52.64 2wht s ASP 28 Cb -0.05 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.24 2wht s ASP 28 CO -0.02 -0.04 0.06 -0.83 0.21 0.00 0.00 175.17 174.55 2wht s GLY 29 N 1.34 1.88 0.17 0.21 0.00 0.17 -1.51 107.32 109.58 2wht s GLY 29 Ca 0.03 -1.80 -0.16 0.00 0.00 0.00 0.00 44.72 42.79 2wht s GLY 29 CO -0.08 -1.78 0.46 -1.59 0.00 0.00 0.00 173.10 170.11 2wht s LYS 30 N -3.76 1.27 0.00 2.90 -2.85 -0.28 -0.78 119.74 116.25 2wht s LYS 30 Ca 0.35 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 2wht s LYS 30 Cb -0.03 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2wht s LYS 30 CO 0.21 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.55 2wht n GLY 31 N -0.29 -1.27 3.03 0.59 0.00 -0.44 -1.06 105.19 105.74 2wht n GLY 31 Ca -0.11 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 2wht n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wht s LYS 32 N -1.67 1.85 0.36 1.61 1.02 0.39 -1.32 119.74 121.98 2wht s LYS 32 Ca 0.00 -2.15 0.07 0.00 0.02 0.00 0.00 55.97 53.91 2wht s LYS 32 Cb 0.00 -3.37 0.78 0.00 -0.52 0.00 0.00 37.83 34.72 2wht s LYS 32 CO 0.00 -1.04 1.92 -1.35 -0.92 0.00 0.00 175.35 173.96 2wht h PRO 33 N 7.32 0.70 0.00 -1.68 0.11 -1.79 -0.41 132.00 136.26 2wht h PRO 33 Ca -0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2wht h PRO 33 Cb 0.98 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2wht h PRO 33 CO 0.62 0.46 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 2wht n TYR 34 N -4.51 0.14 0.79 0.65 4.01 -1.26 -3.19 117.16 113.80 2wht n TYR 34 Ca 0.13 0.04 0.08 0.00 -0.16 0.00 0.00 57.90 58.00 2wht n TYR 34 Cb 0.33 -0.57 -0.05 0.00 -0.31 0.00 0.00 39.34 38.74 2wht n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wht n GLU 35 N -1.62 1.50 -1.88 -0.72 -0.58 -0.21 -4.57 120.64 112.55 2wht n GLU 35 Ca 0.07 -0.39 -0.08 0.00 -0.42 0.00 0.00 57.16 56.34 2wht n GLU 35 Cb 0.34 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 2wht n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wht n GLY 36 N 1.32 0.31 3.34 0.62 0.00 -0.89 -4.50 105.19 105.39 2wht n GLY 36 Ca 0.05 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2wht n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wht s GLU 37 N -3.89 2.71 0.03 1.61 2.02 -1.18 -1.48 118.70 118.52 2wht s GLU 37 Ca 0.00 -0.81 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 2wht s GLU 37 Cb 0.00 -2.31 0.07 0.00 0.10 0.00 0.00 34.13 31.99 2wht s GLU 37 CO 0.00 0.41 0.65 1.14 0.02 0.00 0.00 175.26 177.47 2wht s GLN 38 N -0.20 1.14 0.13 1.61 -2.07 -1.00 -0.46 119.66 118.81 2wht s GLN 38 Ca -0.01 -0.02 0.05 0.00 -1.82 0.00 0.00 55.36 53.55 2wht s GLN 38 Cb -0.13 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 2wht s GLN 38 CO 0.03 -0.41 -0.11 0.95 -1.32 0.00 0.00 175.29 174.43 2wht s THR 39 N -2.15 1.16 -0.10 3.63 -4.23 -0.23 -1.47 115.64 112.27 2wht s THR 39 Ca -0.07 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 2wht s THR 39 Cb -0.00 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.18 2wht s THR 39 CO 0.01 -0.64 0.25 0.54 -0.54 0.00 0.00 174.62 174.25 2wht s VAL 40 N -2.88 -0.00 -0.21 2.29 0.11 -0.32 -1.13 120.40 118.26 2wht s VAL 40 Ca 0.13 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.11 2wht s VAL 40 Cb -0.00 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2wht s VAL 40 CO 0.01 0.00 0.06 -0.54 -3.33 0.00 0.00 175.10 171.30 2wht s LYS 41 N 0.17 3.82 0.09 1.54 1.02 -0.57 -1.62 119.74 124.19 2wht s LYS 41 Ca -0.00 -0.41 0.08 0.00 0.02 0.00 0.00 55.97 55.65 2wht s LYS 41 Cb -0.02 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2wht s LYS 41 CO 0.00 0.07 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.84 2wht s LEU 42 N 0.90 2.77 -0.05 3.17 2.01 0.27 -1.48 118.68 126.28 2wht s LEU 42 Ca 0.03 -0.47 0.02 0.00 0.01 0.00 0.00 54.13 53.73 2wht s LEU 42 Cb -0.14 -1.61 0.01 0.00 0.01 0.00 0.00 46.19 44.46 2wht s LEU 42 CO 0.03 0.20 -0.10 -0.89 1.01 0.00 0.00 176.35 176.60 2wht s THR 43 N -1.09 0.92 -0.41 5.49 2.01 -0.31 -1.30 115.64 120.95 2wht s THR 43 Ca 0.18 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 2wht s THR 43 Cb -0.11 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.58 2wht s THR 43 CO 0.09 0.30 1.19 -0.69 -0.69 0.00 0.00 174.62 174.82 2wht s VAL 44 N 0.54 4.22 -0.17 3.82 1.01 0.26 -1.33 120.40 128.74 2wht s VAL 44 Ca -0.10 1.30 0.22 0.00 0.00 0.00 0.00 61.98 63.40 2wht s VAL 44 Cb -0.13 -4.45 -0.18 0.00 0.00 0.00 0.00 36.38 31.62 2wht s VAL 44 CO 0.02 -0.79 0.77 0.35 0.00 0.00 0.00 175.10 175.45 2wht n THR 45 N 6.58 0.28 -3.75 3.92 -2.24 -0.10 -4.76 114.28 114.22 2wht n THR 45 Ca 0.13 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2wht n THR 45 Cb 0.48 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.48 2wht n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wht s LYS 46 N -3.43 0.40 -0.31 -0.78 2.20 -1.06 -4.91 119.74 111.85 2wht s LYS 46 Ca -0.04 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 2wht s LYS 46 Cb 0.12 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2wht s LYS 46 CO 0.85 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.20 2wht n GLY 47 N 2.94 0.61 3.83 5.54 0.00 -1.26 -0.75 105.19 116.10 2wht n GLY 47 Ca -0.13 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 2wht n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wht s GLY 48 N -2.59 2.29 0.49 -0.02 0.00 -1.26 -3.99 107.32 102.24 2wht s GLY 48 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.77 2wht s GLY 48 CO 0.00 0.50 1.02 2.56 0.00 0.00 0.00 173.10 177.18 2wht s PRO 49 N -3.34 3.85 0.19 2.90 0.04 -1.26 -5.11 135.00 132.28 2wht s PRO 49 Ca 0.59 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2wht s PRO 49 Cb -0.10 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2wht s PRO 49 CO 0.18 -0.37 1.14 -0.51 0.04 0.00 0.00 177.00 177.48 2wht s LEU 50 N -3.57 4.48 0.00 -3.56 1.43 -1.26 -4.92 118.68 111.28 2wht s LEU 50 Ca 0.65 2.17 0.04 0.00 -1.03 0.00 0.00 54.13 55.96 2wht s LEU 50 Cb -0.14 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.60 2wht s LEU 50 CO 0.21 -0.27 1.10 -0.81 0.23 0.00 0.00 176.35 176.81 2wht n PRO 51 N 2.29 1.25 -4.35 1.29 -0.04 -1.26 -4.88 135.00 129.29 2wht n PRO 51 Ca 0.03 -0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 62.93 2wht n PRO 51 Cb 0.45 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.72 2wht n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2wht s PHE 52 N -1.86 1.65 0.10 0.54 -0.12 -1.26 -4.55 117.98 112.48 2wht s PHE 52 Ca 0.08 -0.93 -0.31 0.00 -0.05 0.00 0.00 56.93 55.72 2wht s PHE 52 Cb 0.04 -0.97 -0.10 0.00 -0.63 0.00 0.00 43.02 41.36 2wht s PHE 52 CO 0.06 -0.03 1.81 0.00 -0.05 0.00 0.00 175.22 177.00 2wht s ALA 53 N -3.39 3.73 0.32 1.99 0.00 0.34 -4.87 121.76 119.87 2wht s ALA 53 Ca 0.30 1.38 0.10 0.00 0.00 0.00 0.00 51.96 53.74 2wht s ALA 53 Cb 0.06 -3.76 0.88 0.00 0.00 0.00 0.00 23.12 20.30 2wht s ALA 53 CO 0.10 -1.24 1.74 2.35 0.00 0.00 0.00 175.76 178.71 2wht h TRP 54 N 8.76 1.00 -0.57 0.00 2.91 -1.95 -3.03 115.95 123.06 2wht h TRP 54 Ca -0.46 0.03 0.17 0.00 1.13 0.00 0.00 58.89 59.76 2wht h TRP 54 Cb 1.22 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.55 2wht h TRP 54 CO 0.81 0.09 0.43 -0.44 -1.03 0.00 0.00 178.44 178.30 2wht h ASP 55 N 0.60 0.00 0.64 2.65 3.32 -1.94 0.83 116.42 122.51 2wht h ASP 55 Ca 0.63 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.66 2wht h ASP 55 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2wht h ASP 55 CO -0.44 0.00 -0.11 0.16 -1.72 0.00 0.00 179.24 177.12 2wht h ILE 56 N 0.00 0.38 0.11 0.35 3.07 -1.94 -3.11 117.51 116.37 2wht h ILE 56 Ca 0.27 -0.65 -0.30 0.00 1.55 0.00 0.00 64.86 65.73 2wht h ILE 56 Cb 1.13 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 2wht h ILE 56 CO -0.00 0.11 -1.53 -0.07 -1.05 0.00 0.00 178.15 175.61 2wht h LEU 57 N 0.00 0.35 -0.82 0.16 3.38 -1.04 -3.41 115.31 113.93 2wht h LEU 57 Ca -0.00 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 57.63 2wht h LEU 57 Cb 0.46 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 2wht h LEU 57 CO 0.01 1.41 0.39 0.77 0.09 0.00 0.00 178.44 181.11 2wht h SER 58 N 0.06 0.43 0.32 -0.43 4.64 -1.45 -0.09 113.55 117.02 2wht h SER 58 Ca -0.24 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2wht h SER 58 Cb 2.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 2wht h SER 58 CO 0.15 0.16 0.00 -2.65 -0.87 0.00 0.00 176.83 173.63 2wht n PRO 59 N -4.93 0.20 0.00 4.77 -0.02 -1.26 -2.13 135.00 131.63 2wht n PRO 59 Ca 0.16 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 2wht n PRO 59 Cb 0.44 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.51 2wht n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wht n GLN 60 N -1.31 2.13 -1.26 -0.52 1.13 -0.05 -4.80 117.38 112.70 2wht n GLN 60 Ca 0.07 -1.76 -0.32 0.00 -1.94 0.00 0.00 57.00 53.05 2wht n GLN 60 Cb 0.13 -1.46 0.08 0.00 0.11 0.00 0.00 30.24 29.09 2wht n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wht n LEU 61 N 1.10 7.49 0.00 1.08 4.77 -0.90 -4.94 117.00 125.60 2wht n LEU 61 Ca 0.13 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 2wht n LEU 61 Cb 0.58 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2wht n LEU 61 CO 0.17 1.42 0.00 -0.24 -1.33 0.00 0.00 177.39 177.41 2wht n SER 65 N -0.75 0.00 0.25 -1.43 2.88 -1.26 -5.02 113.62 108.29 2wht n SER 65 Ca 0.58 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.25 2wht n SER 65 Cb 0.69 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.79 2wht n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2wht h ILE 66 N 0.00 0.50 -0.00 2.46 1.08 -2.01 -2.58 117.51 116.94 2wht h ILE 66 Ca 0.00 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2wht h ILE 66 Cb 0.00 1.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.26 2wht h ILE 66 CO 0.00 0.15 0.04 -0.65 -0.69 0.00 0.00 178.15 177.00 2wht h PRO 67 N 0.00 0.00 -2.77 2.37 0.11 -1.96 -2.96 132.00 126.79 2wht h PRO 67 Ca -0.00 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 65.37 2wht h PRO 67 Cb 0.50 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.49 2wht h PRO 67 CO 0.02 0.00 2.47 1.19 -0.21 0.00 0.00 178.00 181.46 2wht n PHE 68 N -3.12 2.63 -4.55 0.65 3.01 -0.97 -4.71 117.46 110.40 2wht n PHE 68 Ca -0.03 -2.84 -0.25 0.00 1.01 0.00 0.00 57.45 55.34 2wht n PHE 68 Cb 0.11 -1.90 -0.17 0.00 -0.01 0.00 0.00 39.48 37.52 2wht n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wht s THR 69 N -0.71 1.19 -0.47 4.37 2.01 -1.12 -4.18 115.64 116.75 2wht s THR 69 Ca 0.53 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 2wht s THR 69 Cb 0.17 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 2wht s THR 69 CO -0.08 0.37 1.68 -0.75 -0.69 0.00 0.00 174.62 175.15 2wht s LYS 70 N 0.76 3.17 -0.21 4.92 2.20 -0.29 -4.57 119.74 125.72 2wht s LYS 70 Ca -0.13 0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 56.32 2wht s LYS 70 Cb -0.16 -4.21 -0.05 0.00 -1.51 0.00 0.00 37.83 31.91 2wht s LYS 70 CO 0.03 -2.07 0.13 0.71 -0.36 0.00 0.00 175.35 173.79 2wht s TYR 71 N 7.09 3.35 0.66 4.03 1.51 -1.26 -0.93 117.35 131.79 2wht s TYR 71 Ca 0.68 0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 56.81 2wht s TYR 71 Cb -0.16 -2.19 -0.00 0.00 -0.11 0.00 0.00 41.96 39.50 2wht s TYR 71 CO 0.28 0.18 1.19 -2.14 -1.11 0.00 0.00 175.55 173.95 2wht s PRO 72 N 0.62 2.63 0.41 -1.71 0.02 -1.26 -4.92 135.00 130.79 2wht s PRO 72 Ca 0.07 1.72 0.15 0.00 0.02 0.00 0.00 61.00 62.96 2wht s PRO 72 Cb -0.12 -1.90 1.02 0.00 0.02 0.00 0.00 34.50 33.52 2wht s PRO 72 CO 0.01 -1.45 1.90 0.93 -0.33 0.00 0.00 177.00 178.06 2wht h GLU 73 N 0.29 0.44 -0.03 5.54 5.08 -2.00 -1.44 114.58 122.46 2wht h GLU 73 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2wht h GLU 73 Cb 1.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wht h GLU 73 CO 0.53 0.29 0.00 -0.40 -1.00 0.00 0.00 179.01 178.43 2wht n ASP 74 N -4.50 0.78 -4.18 1.42 5.75 -1.26 -4.64 116.55 109.92 2wht n ASP 74 Ca 0.16 -1.33 -0.35 0.00 -0.01 0.00 0.00 54.79 53.26 2wht n ASP 74 Cb 0.55 -0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 40.49 2wht n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wht s ILE 75 N -1.97 2.92 0.14 2.12 1.01 -0.54 -5.01 121.20 119.86 2wht s ILE 75 Ca 0.40 -1.28 -0.35 0.00 0.00 0.00 0.00 60.65 59.42 2wht s ILE 75 Cb 0.20 -2.62 -0.15 0.00 0.01 0.00 0.00 42.46 39.90 2wht s ILE 75 CO 0.32 -0.01 1.45 -2.65 0.00 0.00 0.00 174.94 174.06 2wht n PRO 76 N 4.63 1.72 -3.14 2.79 -0.02 -1.26 -4.66 135.00 135.05 2wht n PRO 76 Ca -0.14 0.62 -0.45 0.00 -2.02 0.00 0.00 63.50 61.50 2wht n PRO 76 Cb 0.44 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2wht n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wht s ASP 77 N 0.65 6.79 0.29 2.55 -1.08 -1.26 -4.34 116.67 120.27 2wht s ASP 77 Ca 0.80 -2.55 0.03 0.00 -0.52 0.00 0.00 52.55 50.31 2wht s ASP 77 Cb -0.79 -2.30 0.74 0.00 -1.46 0.00 0.00 42.92 39.11 2wht s ASP 77 CO 0.43 -0.76 1.66 0.22 0.52 0.00 0.00 175.17 177.25 2wht h TYR 78 N 8.04 0.49 0.22 -5.34 3.20 -1.91 -1.94 116.97 119.73 2wht h TYR 78 Ca 0.15 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2wht h TYR 78 Cb 1.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2wht h TYR 78 CO 1.07 -0.15 -0.11 0.74 -1.64 0.00 0.00 178.16 178.07 2wht h PHE 79 N 0.28 -0.28 -1.00 -3.82 0.04 -1.93 -3.02 116.94 107.21 2wht h PHE 79 Ca 0.56 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.36 2wht h PHE 79 Cb 1.13 0.09 -0.06 0.00 2.20 0.00 0.00 35.95 39.31 2wht h PHE 79 CO -0.20 0.09 0.66 0.87 -0.60 0.00 0.00 178.31 179.12 2wht h LYS 80 N -0.92 1.24 0.00 1.51 1.57 -1.87 -2.59 116.57 115.51 2wht h LYS 80 Ca -0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2wht h LYS 80 Cb 0.49 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wht h LYS 80 CO 0.05 0.82 -0.03 1.96 -0.57 0.00 0.00 179.45 181.68 2wht h GLN 81 N 1.28 0.00 0.00 3.15 4.20 -1.41 -2.89 115.11 119.44 2wht h GLN 81 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2wht h GLN 81 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2wht h GLN 81 CO -0.12 0.03 0.00 0.66 -0.67 0.00 0.00 178.83 178.73 2wht h SER 82 N 0.00 0.00 -3.86 1.46 4.64 -1.32 -3.45 113.55 111.02 2wht h SER 82 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2wht h SER 82 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2wht h SER 82 CO 0.00 0.00 0.21 -0.36 -0.87 0.00 0.00 176.83 175.81 2wht s PHE 83 N -3.39 3.49 -0.57 4.77 0.40 -1.09 -0.06 117.98 121.54 2wht s PHE 83 Ca 0.05 1.14 0.26 0.00 -0.60 0.00 0.00 56.93 57.77 2wht s PHE 83 Cb 0.09 -2.53 0.85 0.00 0.51 0.00 0.00 43.02 41.93 2wht s PHE 83 CO 0.50 -0.25 1.75 -1.00 0.70 0.00 0.00 175.22 176.93 2wht h PRO 84 N 0.90 0.00 -0.40 0.24 0.13 -1.90 -3.45 132.00 127.52 2wht h PRO 84 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2wht h PRO 84 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2wht h PRO 84 CO 0.63 0.00 0.19 0.93 -0.23 0.00 0.00 178.00 179.52 2wht h GLU 85 N 0.00 0.38 0.00 0.86 3.07 -1.89 -3.38 114.58 113.61 2wht h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2wht h GLU 85 Cb 0.64 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2wht h GLU 85 CO 0.00 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.27 2wht n GLY 86 N -1.22 -1.82 3.51 -3.84 0.00 0.92 -4.82 105.19 97.92 2wht n GLY 86 Ca 0.02 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 2wht n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wht s TYR 87 N 0.00 0.01 0.35 1.61 -0.85 -0.96 -0.57 117.35 116.94 2wht s TYR 87 Ca 0.00 -0.36 0.09 0.00 -0.52 0.00 0.00 57.07 56.28 2wht s TYR 87 Cb 0.00 0.31 -0.06 0.00 0.38 0.00 0.00 41.96 42.59 2wht s TYR 87 CO 0.00 -0.91 -0.05 0.95 -1.52 0.00 0.00 175.55 174.02 2wht s THR 88 N -3.91 2.30 0.08 -3.49 -4.23 -0.11 -1.06 115.64 105.23 2wht s THR 88 Ca 0.12 -2.12 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 2wht s THR 88 Cb -0.00 -2.73 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 2wht s THR 88 CO -0.01 -0.17 0.19 -1.66 -0.54 0.00 0.00 174.62 172.43 2wht s TRP 89 N -2.60 0.14 0.02 3.99 1.48 -0.78 -1.13 118.94 120.06 2wht s TRP 89 Ca 0.34 -0.52 0.06 0.00 -1.06 0.00 0.00 56.10 54.91 2wht s TRP 89 Cb 0.03 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.26 2wht s TRP 89 CO 0.17 -0.51 -0.17 -1.21 -4.06 0.00 0.00 176.95 171.17 2wht s GLU 90 N -3.55 1.20 -0.04 3.25 2.02 -0.58 -0.70 118.70 120.30 2wht s GLU 90 Ca 0.03 -0.76 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 2wht s GLU 90 Cb 0.04 -1.23 0.01 0.00 0.10 0.00 0.00 34.13 33.04 2wht s GLU 90 CO -0.09 0.32 0.14 0.50 0.02 0.00 0.00 175.26 176.14 2wht s ARG 91 N -0.92 0.21 -0.11 1.61 3.52 0.43 -0.58 118.95 123.12 2wht s ARG 91 Ca 0.05 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2wht s ARG 91 Cb -0.08 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.39 2wht s ARG 91 CO 0.01 -0.03 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.22 2wht s SER 92 N -0.15 4.09 -0.35 -2.12 0.01 -0.22 -0.04 113.70 114.92 2wht s SER 92 Ca -0.02 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 2wht s SER 92 Cb -0.02 -1.46 0.04 0.00 0.21 0.00 0.00 66.02 64.78 2wht s SER 92 CO 0.00 0.21 0.12 -0.04 0.41 0.00 0.00 173.24 173.94 2wht s MET 93 N 0.11 2.65 -0.45 12.44 1.00 0.99 -1.32 119.30 134.72 2wht s MET 93 Ca -0.06 -1.17 -0.09 0.00 0.00 0.00 0.00 55.69 54.37 2wht s MET 93 Cb -0.15 -3.51 0.10 0.00 0.00 0.00 0.00 34.83 31.28 2wht s MET 93 CO 0.04 -0.67 0.31 -0.80 0.00 0.00 0.00 175.02 173.90 2wht s ASN 94 N 1.43 5.69 0.48 3.03 0.01 0.36 -0.82 114.94 125.12 2wht s ASN 94 Ca -0.01 -1.70 -0.13 0.00 -0.71 0.00 0.00 52.86 50.31 2wht s ASN 94 Cb -0.19 -2.01 -0.07 0.00 0.41 0.00 0.00 41.25 39.39 2wht s ASN 94 CO 0.03 -0.62 0.90 -0.36 -1.51 0.00 0.00 177.10 175.54 2wht s PHE 95 N 1.40 3.49 0.63 2.20 0.08 -0.51 -0.57 117.98 124.70 2wht s PHE 95 Ca 0.04 1.25 0.41 0.00 0.12 0.00 0.00 56.93 58.75 2wht s PHE 95 Cb -0.25 -2.63 2.25 0.00 -0.57 0.00 0.00 43.02 41.83 2wht s PHE 95 CO 0.01 -0.31 2.33 1.05 -0.10 0.00 0.00 175.22 178.21 2wht h GLU 96 N 0.85 0.00 -0.58 0.44 4.11 -1.19 -1.65 114.58 116.57 2wht h GLU 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2wht h GLU 96 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wht h GLU 96 CO 0.62 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.31 2wht n ASP 97 N -3.27 3.32 0.00 3.06 5.68 -1.26 -4.94 116.55 119.14 2wht n ASP 97 Ca -0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 2wht n ASP 97 Cb 0.08 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2wht n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wht n GLY 98 N 1.49 1.02 3.77 6.12 0.00 -0.62 -4.90 105.19 112.08 2wht n GLY 98 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2wht n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wht s ALA 99 N -2.74 3.07 -0.05 4.61 0.00 -1.25 -4.85 121.76 120.55 2wht s ALA 99 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 51.96 52.96 2wht s ALA 99 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2wht s ALA 99 CO 0.00 -0.62 -0.12 0.08 0.00 0.00 0.00 175.76 175.09 2wht s VAL 100 N -1.47 1.10 -0.10 0.00 1.01 -0.75 -1.42 120.40 118.77 2wht s VAL 100 Ca 0.60 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2wht s VAL 100 Cb -0.30 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2wht s VAL 100 CO 0.37 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.75 2wht s THR 102 N -0.33 3.68 -0.03 0.00 2.01 0.28 -0.00 115.64 121.25 2wht s THR 102 Ca 0.05 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.64 2wht s THR 102 Cb -0.12 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.79 2wht s THR 102 CO 0.02 0.50 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.66 2wht s VAL 103 N 0.38 0.88 0.07 3.82 1.01 0.94 -0.60 120.40 126.90 2wht s VAL 103 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2wht s VAL 103 Cb -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2wht s VAL 103 CO 0.04 0.27 -0.12 -0.94 0.00 0.00 0.00 175.10 174.35 2wht s SER 104 N 0.19 1.45 0.01 3.32 1.04 -0.24 -0.43 113.70 119.04 2wht s SER 104 Ca -0.03 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.75 2wht s SER 104 Cb -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2wht s SER 104 CO 0.01 -0.14 -0.01 0.21 0.98 0.00 0.00 173.24 174.28 2wht s ASN 105 N -1.86 0.12 -0.11 7.02 2.47 0.12 -0.88 114.94 121.82 2wht s ASN 105 Ca -0.02 -0.25 0.01 0.00 0.42 0.00 0.00 52.86 53.03 2wht s ASN 105 Cb -0.09 0.05 -0.01 0.00 -1.45 0.00 0.00 41.25 39.75 2wht s ASN 105 CO 0.01 -0.15 -0.16 -0.62 -3.72 0.00 0.00 177.10 172.47 2wht s ASP 106 N -0.73 3.82 -0.17 -4.21 -1.08 -0.10 -1.87 116.67 112.33 2wht s ASP 106 Ca -0.08 -0.35 0.01 0.00 -0.52 0.00 0.00 52.55 51.61 2wht s ASP 106 Cb -0.05 -1.41 0.03 0.00 -1.46 0.00 0.00 42.92 40.02 2wht s ASP 106 CO -0.00 0.20 -0.15 -0.44 0.52 0.00 0.00 175.17 175.29 2wht s SER 107 N 0.15 3.02 0.22 -0.34 0.01 -0.23 -0.86 113.70 115.67 2wht s SER 107 Ca -0.08 -0.65 0.02 0.00 1.31 0.00 0.00 55.95 56.55 2wht s SER 107 Cb -0.15 -1.30 -0.01 0.00 0.21 0.00 0.00 66.02 64.77 2wht s SER 107 CO 0.05 -0.06 0.09 -1.54 0.41 0.00 0.00 173.24 172.19 2wht n SER 108 N 4.70 0.96 -3.90 2.44 3.41 -0.33 -2.25 113.62 118.64 2wht n SER 108 Ca -0.18 -2.17 -0.11 0.00 -0.26 0.00 0.00 58.87 56.15 2wht n SER 108 Cb 0.49 0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.91 2wht n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2wht s ILE 109 N -2.40 0.05 -0.30 -1.33 2.07 -1.26 -0.87 121.20 117.15 2wht s ILE 109 Ca 0.12 -0.45 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 2wht s ILE 109 Cb 0.01 -0.22 0.10 0.00 0.13 0.00 0.00 42.46 42.47 2wht s ILE 109 CO 0.09 -0.25 0.10 -1.58 -1.91 0.00 0.00 174.94 171.39 2wht s GLN 110 N -0.76 0.65 7.44 3.50 2.00 0.70 -4.92 119.66 128.27 2wht s GLN 110 Ca -0.08 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 52.28 2wht s GLN 110 Cb -0.05 -1.89 0.00 0.00 0.80 0.00 0.00 33.01 31.87 2wht s GLN 110 CO 0.00 -0.98 0.00 0.41 -0.50 0.00 0.00 175.29 174.22 2wht n GLY 111 N 4.90 4.07 2.10 2.59 0.00 -1.26 -1.46 105.19 116.13 2wht n GLY 111 Ca -0.03 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2wht n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wht n ASN 112 N 7.54 4.44 -3.98 1.61 3.02 -1.26 -4.87 115.26 121.76 2wht n ASN 112 Ca 0.00 -3.35 -0.26 0.00 -0.03 0.00 0.00 54.58 50.94 2wht n ASN 112 Cb 0.00 -0.78 -0.17 0.00 -0.61 0.00 0.00 39.78 38.22 2wht n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wht s PHE 114 N 1.11 3.57 -0.17 0.00 0.08 -0.33 -0.21 117.98 122.03 2wht s PHE 114 Ca -0.06 1.71 0.01 0.00 0.12 0.00 0.00 56.93 58.71 2wht s PHE 114 Cb -0.14 -2.88 0.02 0.00 -0.57 0.00 0.00 43.02 39.44 2wht s PHE 114 CO -0.02 0.12 -0.20 0.42 -0.10 0.00 0.00 175.22 175.44 2wht s ILE 115 N -1.79 2.08 -0.13 0.64 1.01 -0.05 -0.59 121.20 122.37 2wht s ILE 115 Ca 0.54 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2wht s ILE 115 Cb -0.16 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2wht s ILE 115 CO 0.20 0.54 -0.13 -0.31 0.00 0.00 0.00 174.94 175.24 2wht s TYR 116 N 1.16 2.81 -0.27 3.97 2.02 0.84 -1.19 117.35 126.69 2wht s TYR 116 Ca 0.02 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 2wht s TYR 116 Cb -0.14 -1.85 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 2wht s TYR 116 CO -0.10 -0.23 -0.08 1.21 -1.57 0.00 0.00 175.55 174.78 2wht s ASN 117 N 0.39 4.57 -0.03 2.29 3.84 -0.04 -0.31 114.94 125.65 2wht s ASN 117 Ca -0.11 -1.41 0.07 0.00 0.21 0.00 0.00 52.86 51.63 2wht s ASN 117 Cb -0.16 -1.59 -0.02 0.00 -0.55 0.00 0.00 41.25 38.93 2wht s ASN 117 CO 0.05 -0.22 -0.25 -0.69 -2.79 0.00 0.00 177.10 173.21 2wht s VAL 118 N 1.13 1.99 -0.06 -5.21 1.01 0.55 -0.93 120.40 118.88 2wht s VAL 118 Ca -0.07 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2wht s VAL 118 Cb -0.20 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2wht s VAL 118 CO -0.04 0.56 -0.13 -0.54 0.00 0.00 0.00 175.10 174.95 2wht s LYS 119 N -0.44 1.68 -0.03 2.72 1.02 -0.06 -1.60 119.74 123.02 2wht s LYS 119 Ca 0.05 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.61 2wht s LYS 119 Cb -0.11 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 2wht s LYS 119 CO 0.01 0.08 -0.06 -1.50 -0.92 0.00 0.00 175.35 172.96 2wht s ILE 120 N 0.49 0.60 -0.16 2.17 2.07 -0.35 -1.08 121.20 124.94 2wht s ILE 120 Ca -0.11 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2wht s ILE 120 Cb -0.14 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 41.90 2wht s ILE 120 CO 0.03 0.21 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.58 2wht s SER 121 N 0.52 2.91 -0.14 4.50 0.15 0.23 -1.52 113.70 120.35 2wht s SER 121 Ca -0.07 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 55.98 2wht s SER 121 Cb -0.11 -1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 62.93 2wht s SER 121 CO 0.00 -0.06 -0.11 -0.83 1.20 0.00 0.00 173.24 173.44 2wht s GLY 122 N 1.43 1.58 0.09 9.45 0.00 0.77 -0.56 107.32 120.08 2wht s GLY 122 Ca 0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 2wht s GLY 122 CO -0.11 -0.16 0.05 -1.83 0.00 0.00 0.00 173.10 171.05 2wht s GLU 123 N 0.36 0.79 -1.43 2.90 -1.05 -0.32 -0.86 118.70 119.08 2wht s GLU 123 Ca -0.09 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 2wht s GLU 123 Cb -0.16 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 2wht s GLU 123 CO 0.05 -0.20 0.00 0.09 0.95 0.00 0.00 175.26 176.15 2wht n ASN 124 N -0.01 -4.63 -4.71 0.83 3.02 -1.26 -1.81 115.26 106.70 2wht n ASN 124 Ca -0.10 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2wht n ASN 124 Cb 0.62 -3.52 -0.03 0.00 -0.61 0.00 0.00 39.78 36.24 2wht n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wht s PHE 125 N -2.60 2.87 0.04 3.10 0.08 -1.26 -3.78 117.98 116.43 2wht s PHE 125 Ca 0.00 0.52 -0.36 0.00 0.12 0.00 0.00 56.93 57.21 2wht s PHE 125 Cb 0.00 -3.95 -0.15 0.00 -0.57 0.00 0.00 43.02 38.35 2wht s PHE 125 CO 0.00 -3.61 1.57 -2.30 -0.10 0.00 0.00 175.22 170.78 2wht n PRO 126 N 4.44 1.71 0.20 0.24 -0.02 -1.26 -4.85 135.00 135.47 2wht n PRO 126 Ca 0.15 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 2wht n PRO 126 Cb 0.39 -2.35 0.73 0.00 -0.02 0.00 0.00 33.50 32.25 2wht n PRO 126 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wht h PRO 127 N 6.19 0.00 -0.30 0.52 0.13 -1.99 -0.61 132.00 135.95 2wht h PRO 127 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wht h PRO 127 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wht h PRO 127 CO 0.87 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.73 2wht n ASN 128 N -4.26 3.98 -4.52 1.44 3.02 -1.26 -4.55 115.26 109.10 2wht n ASN 128 Ca 0.01 -2.93 -0.29 0.00 -0.03 0.00 0.00 54.58 51.34 2wht n ASN 128 Cb 0.24 -0.53 0.13 0.00 -0.61 0.00 0.00 39.78 39.01 2wht n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wht s GLY 129 N -1.76 1.71 0.48 7.41 0.00 -0.24 -4.81 107.32 110.11 2wht s GLY 129 Ca 0.42 -1.03 0.25 0.00 0.00 0.00 0.00 44.72 44.36 2wht s GLY 129 CO 0.10 -0.41 1.95 -0.56 0.00 0.00 0.00 173.10 174.18 2wht h PRO 130 N -1.24 0.00 0.15 2.90 0.13 -1.94 -0.25 132.00 131.75 2wht h PRO 130 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2wht h PRO 130 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2wht h PRO 130 CO 0.50 0.18 -0.07 0.28 -0.23 0.00 0.00 178.00 178.66 2wht h VAL 131 N 0.00 0.99 0.00 1.56 2.07 -1.94 0.23 116.25 119.17 2wht h VAL 131 Ca -0.00 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2wht h VAL 131 Cb 0.54 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2wht h VAL 131 CO 0.02 0.21 -0.04 0.24 0.02 0.00 0.00 177.57 178.02 2wht h MET 132 N -0.67 0.00 -0.29 1.57 2.86 -1.72 0.10 114.93 116.78 2wht h MET 132 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2wht h MET 132 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2wht h MET 132 CO 0.03 0.04 0.00 1.04 1.06 0.00 0.00 176.91 179.09 2wht n GLN 133 N -3.14 2.40 -3.59 1.72 1.13 -0.12 -4.59 117.38 111.19 2wht n GLN 133 Ca 0.01 -2.10 -0.20 0.00 -1.94 0.00 0.00 57.00 52.78 2wht n GLN 133 Cb 0.38 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.29 2wht n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wht n LYS 134 N 1.35 -5.70 -0.45 -1.09 5.02 -0.59 -4.93 118.16 111.77 2wht n LYS 134 Ca 0.18 0.72 0.08 0.00 -2.02 0.00 0.00 58.31 57.28 2wht n LYS 134 Cb 0.58 -5.49 0.26 0.00 -0.02 0.00 0.00 35.03 30.36 2wht n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wht n LYS 135 N -4.23 2.98 -3.57 1.97 4.76 0.72 -4.99 118.16 115.79 2wht n LYS 135 Ca -0.28 -2.83 -0.25 0.00 -2.87 0.00 0.00 58.31 52.07 2wht n LYS 135 Cb 0.67 -1.84 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 2wht n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wht s THR 136 N -2.76 5.15 -0.22 -0.18 -4.23 -1.25 -1.17 115.64 110.98 2wht s THR 136 Ca 0.42 -0.43 0.23 0.00 -1.18 0.00 0.00 61.69 60.73 2wht s THR 136 Cb 0.34 -3.80 0.50 0.00 1.34 0.00 0.00 72.50 70.88 2wht s THR 136 CO 0.09 -0.35 1.12 0.00 -0.54 0.00 0.00 174.62 174.95 2wht n GLN 137 N -1.19 1.50 0.00 3.99 6.02 0.93 -4.81 117.38 123.82 2wht n GLN 137 Ca -0.05 -3.29 0.00 0.00 -0.01 0.00 0.00 57.00 53.65 2wht n GLN 137 Cb 0.55 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.44 2wht n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wht n GLY 138 N -0.43 0.78 3.78 1.08 0.00 -1.26 -4.61 105.19 104.53 2wht n GLY 138 Ca 0.08 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2wht n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wht s TRP 139 N -2.93 3.77 0.66 1.61 0.52 -1.26 -0.82 118.94 120.49 2wht s TRP 139 Ca 0.00 1.69 -0.15 0.00 0.02 0.00 0.00 56.10 57.66 2wht s TRP 139 Cb 0.00 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 2wht s TRP 139 CO 0.00 0.34 1.11 -1.21 0.02 0.00 0.00 176.95 177.21 2wht s GLU 140 N -1.73 2.76 0.51 4.98 0.41 -0.47 -4.77 118.70 120.39 2wht s GLU 140 Ca 0.44 1.41 -0.22 0.00 -0.41 0.00 0.00 54.97 56.19 2wht s GLU 140 Cb -0.20 -1.94 -0.08 0.00 -1.78 0.00 0.00 34.13 30.13 2wht s GLU 140 CO 0.25 -1.29 1.07 -2.30 -0.49 0.00 0.00 175.26 172.50 2wht n PRO 141 N -2.45 1.30 -4.17 0.39 -0.02 -1.26 -4.79 135.00 124.01 2wht n PRO 141 Ca 0.10 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 2wht n PRO 141 Cb 0.52 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 2wht n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wht s SER 142 N -0.92 1.10 -0.23 2.55 1.04 -0.53 -4.97 113.70 111.74 2wht s SER 142 Ca 0.69 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 2wht s SER 142 Cb -0.48 0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.81 2wht s SER 142 CO 0.52 -0.48 0.01 -0.89 0.98 0.00 0.00 173.24 173.39 2wht s THR 143 N -3.64 1.03 -0.00 2.02 2.01 -1.26 -0.38 115.64 115.41 2wht s THR 143 Ca 0.12 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.87 2wht s THR 143 Cb 0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2wht s THR 143 CO -0.05 -0.23 0.81 -0.70 -0.69 0.00 0.00 174.62 173.76 2wht s GLU 144 N 1.61 4.51 -0.21 4.92 2.12 -0.28 -4.62 118.70 126.75 2wht s GLU 144 Ca -0.01 1.12 -0.06 0.00 0.36 0.00 0.00 54.97 56.38 2wht s GLU 144 Cb -0.18 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2wht s GLU 144 CO -0.09 0.11 0.03 1.03 -0.54 0.00 0.00 175.26 175.80 2wht s ARG 145 N 0.54 3.71 0.15 4.30 0.52 -0.19 -0.69 118.95 127.30 2wht s ARG 145 Ca 0.42 -0.47 0.10 0.00 -0.52 0.00 0.00 55.73 55.27 2wht s ARG 145 Cb -0.20 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 2wht s ARG 145 CO 0.23 0.02 -0.22 -0.51 0.02 0.00 0.00 175.30 174.83 2wht s LEU 146 N 1.03 2.50 0.11 2.53 1.02 0.22 -1.32 118.68 124.77 2wht s LEU 146 Ca 0.03 -0.73 -0.14 0.00 0.02 0.00 0.00 54.13 53.31 2wht s LEU 146 Cb -0.14 -1.32 0.02 0.00 0.02 0.00 0.00 46.19 44.77 2wht s LEU 146 CO 0.02 0.15 0.33 0.72 0.02 0.00 0.00 176.35 177.60 2wht s PHE 147 N -1.34 -0.10 0.05 0.29 -0.12 -0.33 -2.20 117.98 114.24 2wht s PHE 147 Ca 0.18 -0.24 -0.21 0.00 -0.05 0.00 0.00 56.93 56.61 2wht s PHE 147 Cb -0.09 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 2wht s PHE 147 CO 0.09 -0.64 0.62 0.00 -0.05 0.00 0.00 175.22 175.24 2wht s ALA 148 N -3.75 3.52 -0.14 1.99 0.00 -1.26 -0.73 121.76 121.39 2wht s ALA 148 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 2wht s ALA 148 Cb 0.03 -2.74 0.07 0.00 0.00 0.00 0.00 23.12 20.47 2wht s ALA 148 CO -0.11 0.27 0.28 0.50 0.00 0.00 0.00 175.76 176.70 2wht s ARG 149 N -0.69 0.17 -1.60 0.00 3.52 0.18 -4.94 118.95 115.59 2wht s ARG 149 Ca 0.31 0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 56.56 2wht s ARG 149 Cb -0.20 0.01 0.11 0.00 -1.56 0.00 0.00 34.95 33.31 2wht s ARG 149 CO 0.20 -0.28 0.79 -0.25 -0.81 0.00 0.00 175.30 174.95 2wht n ASP 150 N 5.32 -3.23 0.00 -2.12 8.00 -1.26 -0.10 116.55 123.17 2wht n ASP 150 Ca -0.07 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2wht n ASP 150 Cb 0.50 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 2wht n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wht n GLY 151 N -1.58 1.30 3.84 0.44 0.00 -1.26 -5.03 105.19 102.90 2wht n GLY 151 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2wht n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wht s MET 152 N -0.07 2.92 -0.14 1.61 -1.94 0.86 -4.62 119.30 117.91 2wht s MET 152 Ca 0.00 -1.09 -0.08 0.00 -1.71 0.00 0.00 55.69 52.81 2wht s MET 152 Cb 0.00 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 2wht s MET 152 CO 0.00 0.33 0.13 -0.51 -0.01 0.00 0.00 175.02 174.96 2wht s LEU 153 N -3.89 4.29 -0.11 -0.03 1.02 -0.57 -0.65 118.68 118.75 2wht s LEU 153 Ca 0.35 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.90 2wht s LEU 153 Cb -0.07 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.07 2wht s LEU 153 CO 0.26 0.33 -0.19 -0.63 0.02 0.00 0.00 176.35 176.14 2wht s ILE 154 N -0.58 2.48 -0.01 -0.59 -1.09 0.09 -0.24 121.20 121.26 2wht s ILE 154 Ca 0.13 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 57.73 2wht s ILE 154 Cb -0.12 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2wht s ILE 154 CO 0.02 0.55 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.27 2wht s GLY 155 N 0.32 0.85 -0.01 6.18 0.00 0.19 -1.19 107.32 113.66 2wht s GLY 155 Ca -0.15 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 43.85 2wht s GLY 155 CO 0.07 -0.64 -0.14 -1.31 0.00 0.00 0.00 173.10 171.08 2wht s ASN 156 N -0.47 1.68 -0.10 1.64 0.01 -0.44 -0.33 114.94 116.93 2wht s ASN 156 Ca 0.06 -0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 51.91 2wht s ASN 156 Cb -0.07 -0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.46 2wht s ASN 156 CO -0.00 0.17 0.22 -0.62 -1.51 0.00 0.00 177.10 175.36 2wht s ASP 157 N -0.36 0.26 -0.49 -1.22 -1.08 -0.80 -1.02 116.67 111.97 2wht s ASP 157 Ca 0.05 0.47 -0.18 0.00 -0.52 0.00 0.00 52.55 52.38 2wht s ASP 157 Cb -0.06 0.46 0.06 0.00 -1.46 0.00 0.00 42.92 41.93 2wht s ASP 157 CO -0.01 -0.21 0.53 -0.31 0.52 0.00 0.00 175.17 175.69 2wht s TYR 158 N 1.98 3.13 0.36 -5.34 2.02 -1.26 -0.92 117.35 117.32 2wht s TYR 158 Ca -0.02 -0.69 0.08 0.00 -0.37 0.00 0.00 57.07 56.07 2wht s TYR 158 Cb -0.12 -3.36 -0.03 0.00 -0.40 0.00 0.00 41.96 38.05 2wht s TYR 158 CO -0.07 -0.92 0.24 -1.64 -1.57 0.00 0.00 175.55 171.58 2wht s MET 159 N 2.21 2.52 -0.13 -0.62 -1.94 0.18 -4.88 119.30 116.64 2wht s MET 159 Ca 0.11 -1.47 -0.11 0.00 -1.71 0.00 0.00 55.69 52.50 2wht s MET 159 Cb -0.21 -2.30 0.04 0.00 2.01 0.00 0.00 34.83 34.36 2wht s MET 159 CO 0.10 0.04 0.35 0.00 -0.01 0.00 0.00 175.02 175.50 2wht s ALA 160 N -2.40 -0.86 -0.02 3.03 0.00 -1.26 -1.14 121.76 119.11 2wht s ALA 160 Ca 0.41 1.06 -0.22 0.00 0.00 0.00 0.00 51.96 53.21 2wht s ALA 160 Cb -0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 2wht s ALA 160 CO 0.25 -0.18 0.65 -0.51 0.00 0.00 0.00 175.76 175.97 2wht s LEU 161 N 0.45 4.39 0.40 0.00 1.43 -0.21 -1.37 118.68 123.77 2wht s LEU 161 Ca -0.02 1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 54.03 2wht s LEU 161 Cb -0.04 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 2wht s LEU 161 CO -0.02 0.02 1.19 -0.54 0.23 0.00 0.00 176.35 177.23 2wht s LYS 162 N 0.13 4.07 0.05 1.70 1.02 -0.00 -0.84 119.74 125.87 2wht s LYS 162 Ca 0.34 1.89 0.09 0.00 0.02 0.00 0.00 55.97 58.31 2wht s LYS 162 Cb -0.18 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2wht s LYS 162 CO 0.18 -0.32 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.53 2wht s LEU 163 N -2.44 2.29 -0.25 3.17 1.43 -0.43 -0.05 118.68 122.41 2wht s LEU 163 Ca 0.56 -0.55 -0.40 0.00 -1.03 0.00 0.00 54.13 52.72 2wht s LEU 163 Cb -0.32 -1.34 -0.15 0.00 0.03 0.00 0.00 46.19 44.40 2wht s LEU 163 CO 0.40 0.26 1.75 1.21 0.23 0.00 0.00 176.35 180.20 2wht n GLU 164 N 1.70 1.24 0.00 1.70 2.13 -0.32 -1.08 120.64 126.01 2wht n GLU 164 Ca -0.17 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2wht n GLU 164 Cb 0.52 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.08 2wht n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wht n GLY 165 N 4.17 1.55 0.00 8.31 0.00 -1.26 -4.65 105.19 113.30 2wht n GLY 165 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wht n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wht n GLY 166 N -1.02 0.82 3.39 -0.02 0.00 -0.24 -5.11 105.19 103.01 2wht n GLY 166 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2wht n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wht n GLY 167 N -0.91 -1.66 3.09 -0.02 0.00 -1.24 -4.81 105.19 99.65 2wht n GLY 167 Ca 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 2wht n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wht s HIS 168 N -3.47 0.88 -0.21 1.61 3.76 -1.26 -1.31 115.29 115.30 2wht s HIS 168 Ca 0.67 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2wht s HIS 168 Cb -0.02 -0.52 0.05 0.00 1.11 0.00 0.00 32.58 33.19 2wht s HIS 168 CO 0.47 -0.02 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.78 2wht s TYR 169 N -1.11 2.41 0.26 1.40 5.04 -0.02 -4.96 117.35 120.38 2wht s TYR 169 Ca -0.05 -1.63 -0.11 0.00 -2.44 0.00 0.00 57.07 52.84 2wht s TYR 169 Cb -0.09 -1.62 -0.08 0.00 0.35 0.00 0.00 41.96 40.53 2wht s TYR 169 CO 0.01 -0.75 0.61 -0.51 -1.34 0.00 0.00 175.55 173.57 2wht s LEU 170 N 1.40 4.13 -0.17 6.97 1.43 -1.26 -1.04 118.68 130.13 2wht s LEU 170 Ca -0.03 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 2wht s LEU 170 Cb -0.17 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.31 2wht s LEU 170 CO -0.08 -0.12 0.43 0.00 0.23 0.00 0.00 176.35 176.81 2wht s GLU 172 N 0.99 4.15 -0.17 0.00 2.12 0.27 -0.65 118.70 125.40 2wht s GLU 172 Ca -0.06 0.27 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 2wht s GLU 172 Cb -0.06 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2wht s GLU 172 CO -0.08 -0.15 0.33 -0.06 -0.54 0.00 0.00 175.26 174.76 2wht s PHE 173 N 1.64 3.44 -0.21 5.30 0.40 -0.09 -0.48 117.98 127.98 2wht s PHE 173 Ca 0.20 0.62 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 2wht s PHE 173 Cb -0.15 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.02 2wht s PHE 173 CO 0.09 0.17 -0.10 0.15 0.70 0.00 0.00 175.22 176.22 2wht s LYS 174 N 0.70 2.04 0.06 0.44 1.02 -0.44 -1.90 119.74 121.68 2wht s LYS 174 Ca 0.18 -0.90 0.09 0.00 0.02 0.00 0.00 55.97 55.36 2wht s LYS 174 Cb -0.14 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2wht s LYS 174 CO 0.05 -0.45 -0.25 -1.12 -0.92 0.00 0.00 175.35 172.66 2wht s SER 175 N 1.37 3.28 -0.14 2.83 0.01 0.55 -1.06 113.70 120.54 2wht s SER 175 Ca -0.02 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2wht s SER 175 Cb -0.17 -0.32 0.02 0.00 0.21 0.00 0.00 66.02 65.77 2wht s SER 175 CO -0.08 0.24 -0.13 -0.89 0.41 0.00 0.00 173.24 172.79 2wht s THR 176 N -0.87 1.47 -0.13 1.44 2.01 0.26 -0.64 115.64 119.18 2wht s THR 176 Ca 0.13 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 2wht s THR 176 Cb -0.10 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2wht s THR 176 CO 0.03 0.44 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.08 2wht s TYR 177 N 1.52 3.08 -0.28 4.92 2.02 0.66 -1.53 117.35 127.74 2wht s TYR 177 Ca 0.05 -0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2wht s TYR 177 Cb -0.13 -1.90 0.09 0.00 -0.40 0.00 0.00 41.96 39.63 2wht s TYR 177 CO -0.10 0.18 0.10 0.21 -1.57 0.00 0.00 175.55 174.37 2wht s LYS 178 N -0.13 0.47 0.63 -0.62 2.20 -0.29 -1.51 119.74 120.50 2wht s LYS 178 Ca 0.04 -0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 54.73 2wht s LYS 178 Cb -0.13 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.52 2wht s LYS 178 CO 0.02 -0.95 1.14 0.00 -0.36 0.00 0.00 175.35 175.20 2wht s ALA 179 N 1.86 2.49 -2.03 3.13 0.00 -1.26 -0.93 121.76 125.02 2wht s ALA 179 Ca 0.08 0.72 0.29 0.00 0.00 0.00 0.00 51.96 53.06 2wht s ALA 179 Cb -0.17 -3.37 1.34 0.00 0.00 0.00 0.00 23.12 20.93 2wht s ALA 179 CO -0.28 -1.20 1.92 1.63 0.00 0.00 0.00 175.76 177.83 2wht n LYS 180 N -2.05 1.10 -3.73 0.00 5.02 0.26 -4.84 118.16 113.93 2wht n LYS 180 Ca 0.11 -0.42 -0.10 0.00 -2.02 0.00 0.00 58.31 55.89 2wht n LYS 180 Cb 0.51 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 2wht n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wht s LYS 181 N -2.18 0.98 0.45 1.97 -2.85 -1.26 -5.00 119.74 111.84 2wht s LYS 181 Ca 0.37 -0.82 -0.25 0.00 -1.00 0.00 0.00 55.97 54.27 2wht s LYS 181 Cb 0.21 0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 36.31 2wht s LYS 181 CO 0.40 -0.36 1.40 -2.14 0.10 0.00 0.00 175.35 174.75 2wht s PRO 182 N -3.83 3.71 0.18 1.78 0.02 -1.26 -4.97 135.00 130.64 2wht s PRO 182 Ca 0.04 2.36 0.02 0.00 0.02 0.00 0.00 61.00 63.44 2wht s PRO 182 Cb 0.03 -2.66 -0.05 0.00 0.02 0.00 0.00 34.50 31.85 2wht s PRO 182 CO -0.11 -0.77 0.00 0.14 -0.33 0.00 0.00 177.00 175.93 2wht s VAL 183 N -1.22 0.73 -0.05 3.83 -7.23 -1.26 -5.01 120.40 110.20 2wht s VAL 183 Ca 0.61 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2wht s VAL 183 Cb -0.42 -2.17 -0.07 0.00 0.56 0.00 0.00 36.38 34.28 2wht s VAL 183 CO 0.54 -0.44 1.85 -0.13 -0.31 0.00 0.00 175.10 176.62 2wht s ARG 184 N -3.91 4.02 0.10 4.82 0.52 -1.26 -4.97 118.95 118.26 2wht s ARG 184 Ca 0.25 2.31 -0.30 0.00 -0.52 0.00 0.00 55.73 57.47 2wht s ARG 184 Cb 0.06 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 2wht s ARG 184 CO 0.05 -1.07 0.97 -1.64 0.02 0.00 0.00 175.30 173.63 2wht s MET 185 N 4.53 4.67 0.77 3.54 -1.94 -1.26 -4.63 119.30 124.98 2wht s MET 185 Ca 0.83 1.46 -0.12 0.00 -1.71 0.00 0.00 55.69 56.15 2wht s MET 185 Cb -0.37 -3.38 0.05 0.00 2.01 0.00 0.00 34.83 33.14 2wht s MET 185 CO 0.35 0.17 1.15 -1.25 -0.01 0.00 0.00 175.02 175.43 2wht s PRO 186 N 0.13 2.32 0.20 2.03 0.04 -1.26 -4.81 135.00 133.65 2wht s PRO 186 Ca 0.48 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 2wht s PRO 186 Cb -0.23 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2wht s PRO 186 CO 0.30 -1.37 0.27 0.41 0.04 0.00 0.00 177.00 176.65 2wht n GLY 187 N -3.19 -0.34 3.69 0.56 0.00 -1.26 -4.53 105.19 100.12 2wht n GLY 187 Ca 0.08 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 2wht n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wht n ARG 188 N -1.55 2.38 -4.04 1.61 1.74 -1.26 -4.74 116.66 110.81 2wht n ARG 188 Ca 0.04 0.86 -0.13 0.00 -0.77 0.00 0.00 57.85 57.85 2wht n ARG 188 Cb 0.13 -2.63 -0.04 0.00 -1.02 0.00 0.00 32.46 28.91 2wht n ARG 188 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wht s HIS 189 N 0.72 0.81 0.05 -1.55 -3.43 -0.93 -4.31 115.29 106.65 2wht s HIS 189 Ca 0.74 -1.13 0.03 0.00 -0.80 0.00 0.00 55.06 53.91 2wht s HIS 189 Cb -0.60 0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 30.60 2wht s HIS 189 CO 0.39 -1.16 -0.10 -1.21 -2.00 0.00 0.00 174.74 170.66 2wht s GLU 190 N -3.15 0.64 -0.18 -0.38 2.02 -0.43 -0.61 118.70 116.62 2wht s GLU 190 Ca 0.27 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.47 2wht s GLU 190 Cb -0.01 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.73 2wht s GLU 190 CO 0.17 0.11 -0.19 0.42 0.02 0.00 0.00 175.26 175.79 2wht s ILE 191 N -1.27 2.01 -0.09 -1.63 1.01 0.14 -1.23 121.20 120.13 2wht s ILE 191 Ca -0.06 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 2wht s ILE 191 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2wht s ILE 191 CO 0.01 0.51 0.57 -1.81 0.00 0.00 0.00 174.94 174.22 2wht s ASP 192 N 1.30 6.82 0.11 3.58 1.01 -0.30 -1.13 116.67 128.08 2wht s ASP 192 Ca 0.04 0.99 0.06 0.00 0.71 0.00 0.00 52.55 54.35 2wht s ASP 192 Cb -0.13 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2wht s ASP 192 CO -0.12 -0.04 -0.14 -0.13 0.21 0.00 0.00 175.17 174.95 2wht s ARG 193 N 0.62 0.98 -0.05 8.23 0.52 0.48 -1.32 118.95 128.43 2wht s ARG 193 Ca 0.31 -1.20 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 2wht s ARG 193 Cb -0.16 -0.86 0.02 0.00 0.52 0.00 0.00 34.95 34.47 2wht s ARG 193 CO 0.14 0.16 -0.06 0.21 0.02 0.00 0.00 175.30 175.77 2wht s LYS 194 N -2.58 0.99 -0.08 3.54 2.20 -0.60 -1.45 119.74 121.75 2wht s LYS 194 Ca 0.07 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2wht s LYS 194 Cb -0.05 -0.93 0.02 0.00 -1.51 0.00 0.00 37.83 35.36 2wht s LYS 194 CO 0.03 -0.04 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.72 2wht s LEU 195 N 0.78 1.38 -0.02 5.43 2.96 -1.26 -1.36 118.68 126.60 2wht s LEU 195 Ca -0.12 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2wht s LEU 195 Cb -0.14 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.78 2wht s LEU 195 CO 0.01 -0.05 -0.02 -1.81 -1.32 0.00 0.00 176.35 173.16 2wht s ASP 196 N 1.17 0.48 -0.21 3.68 1.01 -0.54 -4.49 116.67 117.77 2wht s ASP 196 Ca -0.05 -0.06 -0.29 0.00 0.71 0.00 0.00 52.55 52.86 2wht s ASP 196 Cb -0.14 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2wht s ASP 196 CO -0.02 -0.02 1.11 -0.69 0.21 0.00 0.00 175.17 175.76 2wht s VAL 197 N 0.42 4.55 -0.13 -1.27 1.01 -1.26 -0.91 120.40 122.82 2wht s VAL 197 Ca -0.04 1.88 0.19 0.00 0.00 0.00 0.00 61.98 64.00 2wht s VAL 197 Cb -0.07 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 2wht s VAL 197 CO -0.01 -0.16 0.44 0.35 0.00 0.00 0.00 175.10 175.72 2wht n THR 198 N 5.31 0.93 -3.64 3.92 -2.24 0.87 -4.97 114.28 114.47 2wht n THR 198 Ca 0.12 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2wht n THR 198 Cb 0.46 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 2wht n THR 198 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wht s SER 199 N -5.31 -0.40 -0.08 3.42 1.04 -1.15 -5.00 113.70 106.21 2wht s SER 199 Ca -0.07 -0.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 2wht s SER 199 Cb 0.09 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.95 2wht s SER 199 CO 0.85 -1.14 0.78 -1.38 0.98 0.00 0.00 173.24 173.33 2wht s HIS 200 N -3.84 -0.56 0.94 5.02 -3.43 -1.26 -1.08 115.29 111.09 2wht s HIS 200 Ca 0.06 0.93 -0.12 0.00 -0.80 0.00 0.00 55.06 55.13 2wht s HIS 200 Cb -0.03 0.43 0.16 0.00 -1.43 0.00 0.00 32.58 31.70 2wht s HIS 200 CO -0.03 -0.53 1.11 0.54 -2.00 0.00 0.00 174.74 173.83 2wht s ASN 201 N -1.23 3.15 0.33 7.38 2.20 -0.45 -4.92 114.94 121.39 2wht s ASN 201 Ca -0.07 1.15 0.10 0.00 -0.94 0.00 0.00 52.86 53.09 2wht s ASN 201 Cb -0.00 -1.79 0.86 0.00 -2.00 0.00 0.00 41.25 38.32 2wht s ASN 201 CO 0.06 -2.80 1.77 -0.09 -2.94 0.00 0.00 177.10 173.10 2wht h ARG 202 N -1.67 0.61 -0.47 3.55 2.43 -2.02 -2.10 114.38 114.72 2wht h ARG 202 Ca -0.52 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2wht h ARG 202 Cb 1.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2wht h ARG 202 CO 0.59 0.41 0.00 -0.40 -1.51 0.00 0.00 179.97 179.06 2wht n ASP 203 N -4.76 4.66 -2.42 -3.80 5.75 -1.26 -4.97 116.55 109.75 2wht n ASP 203 Ca 0.24 -2.76 -0.17 0.00 -0.01 0.00 0.00 54.79 52.09 2wht n ASP 203 Cb 0.68 -0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 2wht n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2wht n TYR 204 N 0.37 -1.18 0.34 2.11 4.02 -0.79 -4.43 117.16 117.60 2wht n TYR 204 Ca 0.24 0.01 0.12 0.00 -0.01 0.00 0.00 57.90 58.25 2wht n TYR 204 Cb 0.96 -3.48 0.18 0.00 -0.02 0.00 0.00 39.34 36.97 2wht n TYR 204 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2wht h THR 205 N -0.01 0.00 -3.29 -0.72 1.35 -1.93 -3.44 112.91 104.87 2wht h THR 205 Ca -0.41 -0.80 -0.55 0.00 -0.55 0.00 0.00 66.41 64.10 2wht h THR 205 Cb 1.31 1.59 -0.35 0.00 -1.73 0.00 0.00 68.15 68.97 2wht h THR 205 CO 0.49 0.00 -0.82 -0.44 -0.25 0.00 0.00 175.52 174.50 2wht s SER 206 N -5.28 2.16 -0.04 5.36 0.01 -1.26 -0.58 113.70 114.06 2wht s SER 206 Ca 0.06 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 2wht s SER 206 Cb 0.09 -0.94 0.01 0.00 0.21 0.00 0.00 66.02 65.40 2wht s SER 206 CO 0.69 -0.02 0.11 -0.69 0.41 0.00 0.00 173.24 173.74 2wht s VAL 207 N 1.10 -0.00 -0.01 3.43 1.01 -0.42 -1.34 120.40 124.17 2wht s VAL 207 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2wht s VAL 207 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2wht s VAL 207 CO -0.02 0.01 -0.25 -1.61 0.00 0.00 0.00 175.10 173.23 2wht s GLU 208 N 0.15 2.00 0.08 2.72 2.02 -0.24 0.96 118.70 126.39 2wht s GLU 208 Ca -0.01 -0.91 0.04 0.00 0.02 0.00 0.00 54.97 54.12 2wht s GLU 208 Cb -0.02 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2wht s GLU 208 CO -0.00 0.53 -0.11 -0.65 0.02 0.00 0.00 175.26 175.05 2wht s GLN 209 N -0.64 0.77 0.10 1.61 -0.21 -0.64 -0.09 119.66 120.56 2wht s GLN 209 Ca 0.10 -1.00 0.06 0.00 0.02 0.00 0.00 55.36 54.54 2wht s GLN 209 Cb -0.10 -0.61 -0.03 0.00 1.00 0.00 0.00 33.01 33.27 2wht s GLN 209 CO -0.01 0.12 -0.15 0.00 -2.12 0.00 0.00 175.29 173.13 2wht s GLU 211 N -2.19 0.64 -0.08 0.00 2.12 -0.54 -1.47 118.70 117.17 2wht s GLU 211 Ca 0.04 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.08 2wht s GLU 211 Cb -0.08 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.70 2wht s GLU 211 CO 0.03 0.16 -0.20 0.42 -0.54 0.00 0.00 175.26 175.13 2wht s ILE 212 N -0.28 2.49 -0.08 -3.70 -1.09 -0.46 -2.39 121.20 115.69 2wht s ILE 212 Ca 0.02 -0.89 -0.03 0.00 -2.23 0.00 0.00 60.65 57.52 2wht s ILE 212 Cb -0.04 -1.97 0.04 0.00 -1.58 0.00 0.00 42.46 38.92 2wht s ILE 212 CO -0.00 0.56 0.15 0.00 -1.23 0.00 0.00 174.94 174.41 2wht s ALA 213 N -0.01 -0.13 -0.11 9.38 0.00 -0.55 -1.55 121.76 128.79 2wht s ALA 213 Ca -0.06 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2wht s ALA 213 Cb -0.15 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.27 2wht s ALA 213 CO 0.05 -0.48 -0.10 0.42 0.00 0.00 0.00 175.76 175.65 2wht s ILE 214 N 2.08 1.16 0.43 0.00 1.01 -0.43 -1.14 121.20 124.31 2wht s ILE 214 Ca 0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 2wht s ILE 214 Cb -0.12 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.13 2wht s ILE 214 CO -0.05 0.39 0.89 0.00 0.00 0.00 0.00 174.94 176.16 2wht s ALA 215 N 1.47 3.16 0.20 9.38 0.00 -0.11 -1.14 121.76 134.71 2wht s ALA 215 Ca 0.01 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 2wht s ALA 215 Cb -0.13 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.05 2wht s ALA 215 CO -0.06 0.04 0.62 -0.98 0.00 0.00 0.00 175.76 175.37 2wht s ARG 216 N -3.52 1.43 0.68 0.00 1.70 -0.37 -4.48 118.95 114.39 2wht s ARG 216 Ca 0.58 -0.67 -0.16 0.00 -0.47 0.00 0.00 55.73 55.00 2wht s ARG 216 Cb -0.10 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2wht s ARG 216 CO 0.22 -0.63 1.20 -1.01 -1.08 0.00 0.00 175.30 174.00 2wht s HIS 217 N -3.81 2.21 0.53 5.89 3.76 -1.26 -1.31 115.29 121.30 2wht s HIS 217 Ca 0.05 1.57 -0.19 0.00 -0.15 0.00 0.00 55.06 56.33 2wht s HIS 217 Cb -0.02 -3.45 -0.07 0.00 1.11 0.00 0.00 32.58 30.16 2wht s HIS 217 CO -0.06 -2.40 1.08 0.45 -0.85 0.00 0.00 174.74 172.96 2wht s SER 218 N -1.96 5.96 0.00 1.40 0.15 -1.26 -4.67 113.70 113.32 2wht s SER 218 Ca 0.75 2.03 0.28 0.00 0.70 0.00 0.00 55.95 59.71 2wht s SER 218 Cb -0.29 -2.57 1.10 0.00 -1.71 0.00 0.00 66.02 62.56 2wht s SER 218 CO 0.41 -1.05 1.81 0.18 1.20 0.00 0.00 173.24 175.80 2wht n LEU 219 N -1.27 0.25 -0.33 3.45 4.77 -1.26 -5.08 117.00 117.53 2wht n LEU 219 Ca 0.10 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.34 2wht n LEU 219 Cb 0.52 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2wht n LEU 219 CO 0.42 0.05 0.38 0.18 -1.33 0.00 0.00 177.39 177.09