#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 1.40 -3.62 2.46 2.07 -1.98 -3.41 116.25 113.17 2wht h VAL 3 Ca 0.00 -2.09 -0.68 0.00 0.82 0.00 0.00 66.70 64.75 2wht h VAL 3 Cb 0.00 2.14 -0.29 0.00 -1.52 0.00 0.00 31.29 31.62 2wht h VAL 3 CO 0.00 0.59 -0.66 -0.63 0.02 0.00 0.00 177.57 176.89 2wht s ILE 4 N -3.60 3.53 0.62 4.57 1.01 -1.26 -4.92 121.20 121.15 2wht s ILE 4 Ca -0.01 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2wht s ILE 4 Cb 0.12 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 2wht s ILE 4 CO 0.76 0.02 0.98 0.00 0.00 0.00 0.00 174.94 176.70 2wht s ALA 5 N 1.40 3.13 0.37 9.38 0.00 -1.26 -4.98 121.76 129.79 2wht s ALA 5 Ca -0.00 -0.42 0.16 0.00 0.00 0.00 0.00 51.96 51.70 2wht s ALA 5 Cb -0.18 -2.85 0.87 0.00 0.00 0.00 0.00 23.12 20.96 2wht s ALA 5 CO 0.00 -0.83 1.88 0.87 0.00 0.00 0.00 175.76 177.68 2wht h LYS 6 N -0.32 0.00 -4.89 0.00 1.57 -1.98 -3.40 116.57 107.55 2wht h LYS 6 Ca -0.45 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.70 2wht h LYS 6 Cb 1.23 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.20 2wht h LYS 6 CO 0.62 0.31 -0.85 -1.14 -0.57 0.00 0.00 179.45 177.82 2wht s GLN 7 N -4.19 2.57 0.10 3.15 2.00 -1.26 -3.83 119.66 118.18 2wht s GLN 7 Ca -0.03 -0.68 0.03 0.00 -2.00 0.00 0.00 55.36 52.68 2wht s GLN 7 Cb 0.14 -2.19 -0.04 0.00 0.80 0.00 0.00 33.01 31.72 2wht s GLN 7 CO 0.70 -0.12 -0.08 -1.64 -0.50 0.00 0.00 175.29 173.65 2wht s MET 8 N 1.11 0.82 0.51 1.67 -1.94 -0.59 -5.01 119.30 115.88 2wht s MET 8 Ca -0.02 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 52.78 2wht s MET 8 Cb -0.14 -0.36 0.01 0.00 2.01 0.00 0.00 34.83 36.35 2wht s MET 8 CO -0.06 0.03 0.21 0.95 -0.01 0.00 0.00 175.02 176.14 2wht s THR 9 N -2.96 1.54 0.14 2.05 -4.23 -0.54 -0.72 115.64 110.92 2wht s THR 9 Ca 0.08 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.69 2wht s THR 9 Cb 0.01 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.62 2wht s THR 9 CO -0.02 0.00 0.43 -0.72 -0.54 0.00 0.00 174.62 173.77 2wht s TYR 10 N -2.79 -0.22 -0.13 3.99 -0.85 0.57 -1.05 117.35 116.86 2wht s TYR 10 Ca 0.23 -0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.72 2wht s TYR 10 Cb 0.00 0.30 0.01 0.00 0.38 0.00 0.00 41.96 42.65 2wht s TYR 10 CO 0.14 -0.74 -0.21 0.21 -1.52 0.00 0.00 175.55 173.43 2wht s LYS 11 N -3.81 3.07 -0.12 -3.49 2.47 -0.09 0.38 119.74 118.15 2wht s LYS 11 Ca 0.03 -0.84 0.01 0.00 -1.56 0.00 0.00 55.97 53.61 2wht s LYS 11 Cb 0.01 -2.44 -0.01 0.00 -1.46 0.00 0.00 37.83 33.93 2wht s LYS 11 CO -0.11 0.04 -0.14 0.54 0.16 0.00 0.00 175.35 175.84 2wht s VAL 12 N 0.69 2.97 -0.22 4.02 0.11 -0.37 -0.49 120.40 127.12 2wht s VAL 12 Ca -0.10 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.24 2wht s VAL 12 Cb -0.16 -2.23 0.01 0.00 -1.53 0.00 0.00 36.38 32.47 2wht s VAL 12 CO 0.01 0.53 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.90 2wht s TYR 13 N 0.24 2.94 -0.02 1.54 1.51 0.52 -0.92 117.35 123.15 2wht s TYR 13 Ca -0.09 -1.37 0.07 0.00 -1.01 0.00 0.00 57.07 54.67 2wht s TYR 13 Cb -0.16 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2wht s TYR 13 CO 0.05 -0.69 -0.23 1.41 -1.11 0.00 0.00 175.55 174.98 2wht s MET 14 N 1.37 1.95 0.03 -0.62 1.75 -0.00 -0.97 119.30 122.81 2wht s MET 14 Ca 0.04 -0.83 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 2wht s MET 14 Cb -0.15 -1.85 -0.02 0.00 2.84 0.00 0.00 34.83 35.65 2wht s MET 14 CO -0.07 0.48 -0.04 -1.54 -0.65 0.00 0.00 175.02 173.20 2wht s SER 15 N -0.48 0.38 0.00 1.11 1.04 -0.86 -0.91 113.70 113.98 2wht s SER 15 Ca 0.07 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2wht s SER 15 Cb -0.10 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2wht s SER 15 CO -0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2wht n GLY 16 N 1.30 -1.32 2.83 7.32 0.00 -0.53 -1.98 105.19 112.81 2wht n GLY 16 Ca -0.22 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.33 0.34 -0.13 2.61 2.01 -0.73 -1.18 115.64 116.24 2wht s THR 17 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2wht s THR 17 Cb 0.00 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.10 2wht s THR 17 CO 0.00 0.20 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 2wht s VAL 18 N 1.21 1.51 -1.46 3.82 1.01 -0.48 -1.12 120.40 124.89 2wht s VAL 18 Ca -0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2wht s VAL 18 Cb -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2wht s VAL 18 CO -0.02 0.45 0.23 0.59 0.00 0.00 0.00 175.10 176.35 2wht n ASN 19 N 4.59 0.07 0.00 3.32 4.13 0.20 -0.66 115.26 126.91 2wht n ASN 19 Ca -0.17 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 54.94 2wht n ASN 19 Cb 0.50 -2.31 0.00 0.00 -1.54 0.00 0.00 39.78 36.44 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 -2.27 2.18 3.63 7.41 0.00 -1.26 -4.99 105.19 109.88 2wht n GLY 20 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.26 3.14 0.16 1.61 5.04 0.17 -5.02 115.29 118.13 2wht s HIS 21 Ca 0.00 1.02 -0.21 0.00 -1.54 0.00 0.00 55.06 54.33 2wht s HIS 21 Cb 0.00 -3.61 -0.08 0.00 0.04 0.00 0.00 32.58 28.94 2wht s HIS 21 CO 0.00 -0.75 0.68 -0.47 -2.34 0.00 0.00 174.74 171.86 2wht s TYR 22 N 3.49 3.76 0.19 3.88 5.04 -1.26 -1.38 117.35 131.08 2wht s TYR 22 Ca 0.41 1.39 -0.19 0.00 -2.44 0.00 0.00 57.07 56.24 2wht s TYR 22 Cb -0.12 -2.60 0.04 0.00 0.35 0.00 0.00 41.96 39.62 2wht s TYR 22 CO 0.16 0.46 0.56 -0.59 -1.34 0.00 0.00 175.55 174.80 2wht s PHE 23 N -1.31 -0.25 0.01 4.97 -0.12 -0.32 -4.33 117.98 116.63 2wht s PHE 23 Ca 0.37 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.19 2wht s PHE 23 Cb -0.19 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 2wht s PHE 23 CO 0.22 -0.93 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.21 2wht s GLU 24 N -3.84 0.33 -0.00 1.99 2.02 -0.26 -1.45 118.70 117.49 2wht s GLU 24 Ca 0.07 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2wht s GLU 24 Cb -0.01 -0.20 -0.01 0.00 0.10 0.00 0.00 34.13 34.01 2wht s GLU 24 CO -0.05 0.04 -0.11 0.08 0.02 0.00 0.00 175.26 175.25 2wht s VAL 25 N -0.62 0.83 0.08 2.63 1.01 -0.09 -0.52 120.40 123.72 2wht s VAL 25 Ca -0.04 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2wht s VAL 25 Cb -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2wht s VAL 25 CO -0.00 0.20 -0.21 -1.61 0.00 0.00 0.00 175.10 173.47 2wht s GLU 26 N -0.34 1.24 0.01 2.72 2.02 -0.47 -0.82 118.70 123.05 2wht s GLU 26 Ca 0.03 -1.10 -0.07 0.00 0.02 0.00 0.00 54.97 53.85 2wht s GLU 26 Cb -0.04 -1.47 -0.00 0.00 0.10 0.00 0.00 34.13 32.72 2wht s GLU 26 CO -0.00 0.35 0.12 0.20 0.02 0.00 0.00 175.26 175.95 2wht s GLY 27 N -1.68 0.07 -0.20 -1.39 0.00 -0.10 -0.65 107.32 103.38 2wht s GLY 27 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 2wht s GLY 27 CO 0.04 -0.33 -0.14 0.99 0.00 0.00 0.00 173.10 173.66 2wht s ASP 28 N -1.44 3.59 0.33 1.64 1.01 -0.54 -1.24 116.67 120.03 2wht s ASP 28 Ca -0.14 -0.55 0.10 0.00 0.71 0.00 0.00 52.55 52.67 2wht s ASP 28 Cb -0.08 -1.58 -0.06 0.00 1.01 0.00 0.00 42.92 42.21 2wht s ASP 28 CO 0.01 -0.01 -0.11 -0.83 0.21 0.00 0.00 175.17 174.45 2wht s GLY 29 N 1.35 2.15 0.01 0.21 0.00 0.16 -1.38 107.32 109.83 2wht s GLY 29 Ca 0.05 -2.06 -0.28 0.00 0.00 0.00 0.00 44.72 42.43 2wht s GLY 29 CO -0.09 -2.02 0.74 -1.59 0.00 0.00 0.00 173.10 170.14 2wht s LYS 30 N -3.60 1.02 0.00 2.90 -2.85 -0.43 -0.32 119.74 116.46 2wht s LYS 30 Ca 0.32 -0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.18 2wht s LYS 30 Cb 0.01 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2wht s LYS 30 CO 0.16 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.63 2wht n GLY 31 N 0.22 -1.37 2.98 0.59 0.00 0.11 -1.13 105.19 106.58 2wht n GLY 31 Ca -0.15 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.09 1.84 0.45 1.61 1.02 -0.03 -1.55 119.74 121.99 2wht s LYS 32 Ca 0.00 -2.37 0.19 0.00 0.02 0.00 0.00 55.97 53.81 2wht s LYS 32 Cb 0.00 -3.30 1.15 0.00 -0.52 0.00 0.00 37.83 35.16 2wht s LYS 32 CO 0.00 -1.06 1.93 -1.35 -0.92 0.00 0.00 175.35 173.96 2wht h PRO 33 N 6.90 0.29 0.00 -1.68 0.11 -1.79 -0.97 132.00 134.85 2wht h PRO 33 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2wht h PRO 33 Cb 0.94 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wht h PRO 33 CO 0.64 0.19 -0.30 0.66 -0.21 0.00 0.00 178.00 178.98 2wht n TYR 34 N -4.45 0.50 0.69 0.65 4.01 -1.26 -3.38 117.16 113.93 2wht n TYR 34 Ca 0.14 0.15 0.11 0.00 -0.16 0.00 0.00 57.90 58.14 2wht n TYR 34 Cb 0.57 -0.66 0.04 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.97 0.21 -1.64 -0.72 -0.58 -0.41 -4.56 120.64 110.96 2wht n GLU 35 Ca 0.05 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.74 2wht n GLU 35 Cb 0.40 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 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 1.41 0.44 3.34 0.62 0.00 -0.95 -4.54 105.19 105.52 2wht n GLY 36 Ca 0.03 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.38 2.67 0.12 1.61 2.02 -1.19 -0.60 118.70 119.96 2wht s GLU 37 Ca 0.00 -0.81 -0.24 0.00 0.02 0.00 0.00 54.97 53.93 2wht s GLU 37 Cb 0.00 -2.30 0.07 0.00 0.10 0.00 0.00 34.13 32.01 2wht s GLU 37 CO 0.00 0.42 0.70 1.14 0.02 0.00 0.00 175.26 177.54 2wht s GLN 38 N -0.24 1.19 0.08 1.61 -2.07 -0.90 -0.85 119.66 118.49 2wht s GLN 38 Ca -0.00 -0.47 0.01 0.00 -1.82 0.00 0.00 55.36 53.08 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 -0.52 -0.06 0.95 -1.32 0.00 0.00 175.29 174.37 2wht s THR 39 N -3.58 0.58 -0.09 3.63 -4.23 -0.28 -1.15 115.64 110.52 2wht s THR 39 Ca 0.03 -1.75 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 2wht s THR 39 Cb -0.01 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.40 2wht s THR 39 CO -0.10 -0.81 0.27 0.54 -0.54 0.00 0.00 174.62 173.99 2wht s VAL 40 N -3.26 0.01 -0.19 2.29 0.11 -0.58 -1.32 120.40 117.47 2wht s VAL 40 Ca 0.07 -0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 2wht s VAL 40 Cb 0.03 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2wht s VAL 40 CO -0.05 -0.05 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.11 2wht s LYS 41 N -0.12 3.56 0.05 1.54 1.02 -0.48 -1.51 119.74 123.81 2wht s LYS 41 Ca -0.02 -0.55 0.06 0.00 0.02 0.00 0.00 55.97 55.47 2wht s LYS 41 Cb -0.03 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2wht s LYS 41 CO 0.01 0.02 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.83 2wht s LEU 42 N 0.94 2.91 -0.06 3.17 2.01 0.24 -1.47 118.68 126.41 2wht s LEU 42 Ca 0.01 -0.33 0.03 0.00 0.01 0.00 0.00 54.13 53.85 2wht s LEU 42 Cb -0.14 -1.70 0.01 0.00 0.01 0.00 0.00 46.19 44.36 2wht s LEU 42 CO 0.01 0.24 -0.15 -0.89 1.01 0.00 0.00 176.35 176.58 2wht s THR 43 N -1.03 1.33 -0.47 5.49 2.01 0.18 -1.74 115.64 121.40 2wht s THR 43 Ca 0.17 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 2wht s THR 43 Cb -0.11 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.25 2wht s THR 43 CO 0.08 0.39 1.12 -0.69 -0.69 0.00 0.00 174.62 174.84 2wht s VAL 44 N 0.44 4.23 -0.16 3.82 1.01 0.18 -1.37 120.40 128.54 2wht s VAL 44 Ca -0.12 1.20 0.22 0.00 0.00 0.00 0.00 61.98 63.28 2wht s VAL 44 Cb -0.15 -4.59 -0.12 0.00 0.00 0.00 0.00 36.38 31.52 2wht s VAL 44 CO 0.04 -0.99 0.85 0.35 0.00 0.00 0.00 175.10 175.34 2wht n THR 45 N 6.80 0.42 -3.77 3.92 -2.24 0.32 -4.73 114.28 115.00 2wht n THR 45 Ca 0.12 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2wht n THR 45 Cb 0.49 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 2wht n THR 45 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wht s LYS 46 N -3.41 0.39 -0.32 -0.78 1.02 -1.02 -4.92 119.74 110.69 2wht s LYS 46 Ca -0.03 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2wht s LYS 46 Cb 0.11 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 2wht s LYS 46 CO 0.83 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 2wht n GLY 47 N 2.72 0.62 3.85 -3.33 0.00 -1.26 -1.10 105.19 106.69 2wht n GLY 47 Ca -0.14 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.83 2.23 0.40 -0.02 0.00 -1.26 -4.17 107.32 101.66 2wht s GLY 48 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.55 2wht s GLY 48 CO 0.00 0.29 0.99 2.56 0.00 0.00 0.00 173.10 176.94 2wht s PRO 49 N -3.32 4.26 0.13 2.90 0.04 -1.26 -5.11 135.00 132.65 2wht s PRO 49 Ca 0.55 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2wht s PRO 49 Cb -0.10 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 2wht s PRO 49 CO 0.21 -0.02 1.26 -0.51 0.04 0.00 0.00 177.00 177.98 2wht s LEU 50 N -2.73 4.40 -0.00 -3.56 1.43 -1.26 -4.92 118.68 112.04 2wht s LEU 50 Ca 0.58 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2wht s LEU 50 Cb -0.17 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2wht s LEU 50 CO 0.21 -0.49 0.94 -0.81 0.23 0.00 0.00 176.35 176.44 2wht n PRO 51 N 3.31 1.07 -4.35 1.29 -0.04 -1.26 -4.87 135.00 130.15 2wht n PRO 51 Ca 0.08 -0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.26 2wht n PRO 51 Cb 0.44 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.82 1.64 0.08 0.54 -0.12 -1.26 -4.66 117.98 112.38 2wht s PHE 52 Ca 0.02 -1.15 -0.31 0.00 -0.05 0.00 0.00 56.93 55.44 2wht s PHE 52 Cb 0.01 -0.99 -0.10 0.00 -0.63 0.00 0.00 43.02 41.32 2wht s PHE 52 CO 0.01 -0.28 1.87 0.00 -0.05 0.00 0.00 175.22 176.77 2wht s ALA 53 N -3.63 3.69 0.36 1.99 0.00 -0.08 -4.87 121.76 119.22 2wht s ALA 53 Ca 0.37 1.38 0.13 0.00 0.00 0.00 0.00 51.96 53.84 2wht s ALA 53 Cb 0.08 -3.79 0.95 0.00 0.00 0.00 0.00 23.12 20.35 2wht s ALA 53 CO 0.14 -1.35 1.77 2.35 0.00 0.00 0.00 175.76 178.67 2wht h TRP 54 N 9.35 0.84 -0.82 0.00 2.91 -1.94 -3.08 115.95 123.21 2wht h TRP 54 Ca -0.47 0.03 0.21 0.00 1.13 0.00 0.00 58.89 59.78 2wht h TRP 54 Cb 1.22 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 29.58 2wht h TRP 54 CO 0.85 0.12 0.56 -0.44 -1.03 0.00 0.00 178.44 178.51 2wht h ASP 55 N 0.54 0.21 0.53 2.65 3.32 -1.94 -0.59 116.42 121.14 2wht h ASP 55 Ca 0.59 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.62 2wht h ASP 55 Cb 1.24 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2wht h ASP 55 CO -0.35 0.09 -0.16 0.16 -1.72 0.00 0.00 179.24 177.26 2wht h ILE 56 N 0.21 0.58 0.05 0.35 3.07 -1.94 -2.99 117.51 116.83 2wht h ILE 56 Ca 0.41 -0.74 -0.27 0.00 1.55 0.00 0.00 64.86 65.81 2wht h ILE 56 Cb 1.28 1.48 -0.03 0.00 -0.27 0.00 0.00 36.82 39.28 2wht h ILE 56 CO -0.09 0.16 -1.43 -0.07 -1.05 0.00 0.00 178.15 175.67 2wht h LEU 57 N 0.00 0.15 -1.22 0.16 3.38 -1.32 -3.41 115.31 113.05 2wht h LEU 57 Ca -0.00 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.87 2wht h LEU 57 Cb 0.47 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 2wht h LEU 57 CO 0.02 1.18 0.58 0.77 0.09 0.00 0.00 178.44 181.08 2wht h SER 58 N 0.03 0.75 0.00 -0.43 4.64 -1.36 -0.63 113.55 116.53 2wht h SER 58 Ca -0.19 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2wht h SER 58 Cb 1.94 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2wht h SER 58 CO 0.13 0.41 0.00 -2.65 -0.87 0.00 0.00 176.83 173.84 2wht n PRO 59 N -4.56 0.92 0.00 4.77 -0.02 -1.26 -2.29 135.00 132.56 2wht n PRO 59 Ca 0.17 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.74 2wht n PRO 59 Cb 0.39 -1.41 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 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 -0.91 1.53 -1.38 -0.52 1.13 -0.25 -4.81 117.38 112.18 2wht n GLN 60 Ca 0.18 -1.01 -0.34 0.00 -1.94 0.00 0.00 57.00 53.89 2wht n GLN 60 Cb 0.08 -1.36 0.07 0.00 0.11 0.00 0.00 30.24 29.14 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 0.10 7.56 0.00 1.08 4.77 -0.97 -4.94 117.00 124.60 2wht n LEU 61 Ca 0.08 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 2wht n LEU 61 Cb 0.41 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2wht n LEU 61 CO 0.22 1.50 0.00 -0.24 -1.33 0.00 0.00 177.39 177.54 2wht n SER 65 N -0.72 0.00 0.30 -1.43 2.88 -1.26 -5.01 113.62 108.38 2wht n SER 65 Ca 0.59 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.29 2wht n SER 65 Cb 0.59 0.00 0.95 0.00 -0.75 0.00 0.00 64.21 65.00 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 0.38 0.00 2.46 1.08 -2.01 -2.56 117.51 116.86 2wht h ILE 66 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2wht h ILE 66 Cb 0.00 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2wht h ILE 66 CO 0.00 0.02 0.38 -0.65 -0.69 0.00 0.00 178.15 177.22 2wht h PRO 67 N 0.00 0.00 -2.19 2.37 0.11 -1.96 -2.68 132.00 127.66 2wht h PRO 67 Ca -0.00 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.35 2wht h PRO 67 Cb 0.09 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 30.95 2wht h PRO 67 CO 0.00 0.00 1.15 1.19 -0.21 0.00 0.00 178.00 180.13 2wht n PHE 68 N -2.84 2.72 -4.91 0.65 3.01 -0.96 -4.66 117.46 110.48 2wht n PHE 68 Ca -0.02 -2.46 -0.29 0.00 1.01 0.00 0.00 57.45 55.69 2wht n PHE 68 Cb 0.42 -1.28 -0.17 0.00 -0.01 0.00 0.00 39.48 38.44 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 -4.05 1.67 -0.41 4.37 2.01 -1.01 -4.07 115.64 114.15 2wht s THR 69 Ca 0.47 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 2wht s THR 69 Cb 0.29 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2wht s THR 69 CO -0.23 0.47 1.30 -0.75 -0.69 0.00 0.00 174.62 174.72 2wht s LYS 70 N 0.53 3.70 -0.15 4.92 2.20 0.05 -4.59 119.74 126.39 2wht s LYS 70 Ca -0.16 0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 56.27 2wht s LYS 70 Cb -0.17 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 2wht s LYS 70 CO 0.06 -1.41 0.10 0.71 -0.36 0.00 0.00 175.35 174.45 2wht s TYR 71 N 4.89 3.40 0.40 4.03 1.51 -1.26 -0.10 117.35 130.22 2wht s TYR 71 Ca 0.56 0.31 -0.26 0.00 -1.01 0.00 0.00 57.07 56.67 2wht s TYR 71 Cb -0.12 -2.01 -0.09 0.00 -0.11 0.00 0.00 41.96 39.62 2wht s TYR 71 CO 0.30 0.43 1.32 -1.25 -1.11 0.00 0.00 175.55 175.24 2wht s PRO 72 N -0.28 4.00 0.61 -1.71 0.04 -1.26 -4.93 135.00 131.47 2wht s PRO 72 Ca 0.10 2.19 0.27 0.00 0.04 0.00 0.00 61.00 63.60 2wht s PRO 72 Cb -0.12 -2.79 1.18 0.00 0.04 0.00 0.00 34.50 32.81 2wht s PRO 72 CO 0.01 -0.48 1.59 0.93 0.04 0.00 0.00 177.00 179.09 2wht h GLU 73 N 2.75 0.00 -0.25 4.56 5.08 -2.00 -0.16 114.58 124.56 2wht h GLU 73 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wht h GLU 73 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wht h GLU 73 CO 0.63 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.17 2wht n ASP 74 N -3.39 2.71 -4.35 1.42 2.03 -1.26 -4.72 116.55 108.98 2wht n ASP 74 Ca 0.14 -1.81 -0.39 0.00 0.52 0.00 0.00 54.79 53.25 2wht n ASP 74 Cb 1.07 -0.16 -0.12 0.00 -0.72 0.00 0.00 41.12 41.19 2wht n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wht s ILE 75 N -1.06 4.30 0.13 5.18 1.01 -0.07 -5.00 121.20 125.69 2wht s ILE 75 Ca 0.23 -0.87 -0.35 0.00 0.00 0.00 0.00 60.65 59.67 2wht s ILE 75 Cb 0.13 -3.37 -0.16 0.00 0.01 0.00 0.00 42.46 39.08 2wht s ILE 75 CO 0.18 -0.15 1.24 -2.65 0.00 0.00 0.00 174.94 173.56 2wht n PRO 76 N 4.93 1.15 -3.02 2.79 -0.02 -1.26 -4.66 135.00 134.91 2wht n PRO 76 Ca -0.12 0.41 -0.45 0.00 -2.02 0.00 0.00 63.50 61.32 2wht n PRO 76 Cb 0.46 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.22 6.64 0.28 2.55 -1.08 -1.26 -4.43 116.67 119.59 2wht s ASP 77 Ca 0.78 -2.15 0.03 0.00 -0.52 0.00 0.00 52.55 50.69 2wht s ASP 77 Cb -0.90 -2.35 0.65 0.00 -1.46 0.00 0.00 42.92 38.86 2wht s ASP 77 CO 0.50 -0.96 1.76 0.22 0.52 0.00 0.00 175.17 177.20 2wht h TYR 78 N 8.61 0.87 0.12 -5.34 3.20 -1.91 -1.79 116.97 120.74 2wht h TYR 78 Ca 0.12 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2wht h TYR 78 Cb 1.03 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2wht h TYR 78 CO 1.12 0.16 -0.06 0.74 -1.64 0.00 0.00 178.16 178.48 2wht h PHE 79 N 0.64 -0.15 -0.51 -3.82 0.04 -1.93 -2.65 116.94 108.54 2wht h PHE 79 Ca 0.53 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.22 2wht h PHE 79 Cb 0.83 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 2wht h PHE 79 CO -0.06 0.30 0.03 0.87 -0.60 0.00 0.00 178.31 178.84 2wht h LYS 80 N -0.69 0.85 -0.25 1.51 1.57 -1.87 -2.91 116.57 114.77 2wht h LYS 80 Ca -0.02 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2wht h LYS 80 Cb 0.52 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2wht h LYS 80 CO 0.03 0.83 0.05 1.96 -0.57 0.00 0.00 179.45 181.75 2wht h GLN 81 N 0.80 0.36 -0.01 3.15 4.20 -1.33 -2.94 115.11 119.34 2wht h GLN 81 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2wht h GLN 81 Cb 0.44 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2wht h GLN 81 CO 0.02 0.35 0.02 0.66 -0.67 0.00 0.00 178.83 179.21 2wht h SER 82 N 0.36 0.00 -4.11 1.46 4.64 -1.26 -3.44 113.55 111.20 2wht h SER 82 Ca 0.09 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.93 2wht h SER 82 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2wht h SER 82 CO -0.00 0.00 0.33 -0.36 -0.87 0.00 0.00 176.83 175.93 2wht s PHE 83 N -4.33 3.44 -0.12 4.77 0.40 -1.11 -0.26 117.98 120.78 2wht s PHE 83 Ca -0.05 1.41 0.30 0.00 -0.60 0.00 0.00 56.93 57.99 2wht s PHE 83 Cb 0.14 -2.74 1.23 0.00 0.51 0.00 0.00 43.02 42.15 2wht s PHE 83 CO 0.45 -0.31 1.88 -1.00 0.70 0.00 0.00 175.22 176.95 2wht h PRO 84 N 1.05 0.00 -0.61 0.24 0.13 -1.90 -3.45 132.00 127.46 2wht h PRO 84 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2wht h PRO 84 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2wht h PRO 84 CO 0.62 0.00 0.26 0.93 -0.23 0.00 0.00 178.00 179.58 2wht h GLU 85 N 0.00 0.89 0.00 0.86 3.07 -1.81 -3.39 114.58 114.20 2wht h GLU 85 Ca 0.00 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2wht h GLU 85 Cb 0.46 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2wht h GLU 85 CO 0.00 0.74 0.00 0.41 -1.40 0.00 0.00 179.01 178.76 2wht n GLY 86 N -0.87 -1.80 3.53 -3.84 0.00 0.64 -4.83 105.19 98.02 2wht n GLY 86 Ca 0.04 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.04 0.39 1.61 -0.85 -1.05 -0.49 117.35 116.91 2wht s TYR 87 Ca 0.00 -0.31 0.07 0.00 -0.52 0.00 0.00 57.07 56.31 2wht s TYR 87 Cb 0.00 0.36 -0.08 0.00 0.38 0.00 0.00 41.96 42.62 2wht s TYR 87 CO 0.00 -0.92 0.00 0.95 -1.52 0.00 0.00 175.55 174.06 2wht s THR 88 N -3.89 1.90 0.12 -3.49 -4.23 0.13 -1.08 115.64 105.10 2wht s THR 88 Ca 0.11 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.46 2wht s THR 88 Cb -0.01 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.93 2wht s THR 88 CO -0.01 -0.03 0.33 -1.66 -0.54 0.00 0.00 174.62 172.71 2wht s TRP 89 N -2.79 -0.04 0.03 3.99 1.48 -0.61 -1.11 118.94 119.88 2wht s TRP 89 Ca 0.35 -0.32 0.03 0.00 -1.06 0.00 0.00 56.10 55.11 2wht s TRP 89 Cb 0.09 0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.52 2wht s TRP 89 CO 0.17 -0.66 -0.10 -1.21 -4.06 0.00 0.00 176.95 171.09 2wht s GLU 90 N -3.84 0.73 -0.05 3.25 2.02 -0.57 -0.73 118.70 119.52 2wht s GLU 90 Ca 0.05 -0.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.37 2wht s GLU 90 Cb 0.03 -0.67 0.01 0.00 0.10 0.00 0.00 34.13 33.60 2wht s GLU 90 CO -0.11 0.16 0.16 0.50 0.02 0.00 0.00 175.26 176.00 2wht s ARG 91 N -0.95 0.28 -0.09 1.61 3.52 0.04 -0.73 118.95 122.64 2wht s ARG 91 Ca -0.01 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 2wht s ARG 91 Cb -0.07 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 2wht s ARG 91 CO 0.01 -0.05 -0.09 -1.12 -0.81 0.00 0.00 175.30 173.24 2wht s SER 92 N -0.31 4.47 -0.27 -2.12 0.01 -0.10 -0.75 113.70 114.63 2wht s SER 92 Ca -0.04 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 2wht s SER 92 Cb -0.03 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.92 2wht s SER 92 CO 0.01 0.29 0.01 -0.04 0.41 0.00 0.00 173.24 173.92 2wht s MET 93 N -0.39 2.95 -0.47 12.44 -1.94 0.35 -1.49 119.30 130.74 2wht s MET 93 Ca 0.05 -0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 53.09 2wht s MET 93 Cb -0.12 -3.19 0.13 0.00 2.01 0.00 0.00 34.83 33.65 2wht s MET 93 CO 0.02 -0.43 0.27 -0.80 -0.01 0.00 0.00 175.02 174.07 2wht s ASN 94 N 1.41 5.17 0.49 3.03 0.01 -0.06 -1.53 114.94 123.45 2wht s ASN 94 Ca 0.01 -2.34 -0.18 0.00 -0.71 0.00 0.00 52.86 49.64 2wht s ASN 94 Cb -0.17 -1.81 -0.09 0.00 0.41 0.00 0.00 41.25 39.59 2wht s ASN 94 CO -0.01 -0.46 0.98 -0.36 -1.51 0.00 0.00 177.10 175.74 2wht s PHE 95 N 0.69 3.37 0.59 2.20 0.08 -0.59 -1.20 117.98 123.11 2wht s PHE 95 Ca 0.11 1.52 0.29 0.00 0.12 0.00 0.00 56.93 58.98 2wht s PHE 95 Cb -0.22 -2.83 1.72 0.00 -0.57 0.00 0.00 43.02 41.13 2wht s PHE 95 CO -0.04 -0.32 2.15 1.05 -0.10 0.00 0.00 175.22 177.96 2wht h GLU 96 N 1.26 0.00 -0.64 0.44 4.11 -1.39 -1.61 114.58 116.74 2wht h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 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 0.61 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.29 2wht n ASP 97 N -3.79 4.20 0.00 3.06 5.68 -1.26 -4.94 116.55 119.50 2wht n ASP 97 Ca -0.00 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 2wht n ASP 97 Cb 0.24 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 1.09 0.97 3.77 6.12 0.00 -0.61 -4.85 105.19 111.68 2wht n GLY 98 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.06 3.14 -0.04 4.61 0.00 -1.24 -4.89 121.76 120.28 2wht s ALA 99 Ca 0.00 0.98 0.02 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 -0.57 -0.08 0.08 0.00 0.00 0.00 175.76 175.19 2wht s VAL 100 N -1.42 0.80 -0.10 0.00 1.01 -1.00 -1.55 120.40 118.14 2wht s VAL 100 Ca 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2wht s VAL 100 Cb -0.31 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2wht s VAL 100 CO 0.39 0.27 -0.07 0.00 0.00 0.00 0.00 175.10 175.69 2wht s THR 102 N -0.29 3.92 0.00 0.00 2.01 0.20 -0.50 115.64 120.98 2wht s THR 102 Ca 0.04 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.70 2wht s THR 102 Cb -0.13 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2wht s THR 102 CO 0.02 0.55 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 2wht s VAL 103 N -0.29 0.71 0.04 3.82 1.01 0.07 0.14 120.40 125.90 2wht s VAL 103 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2wht s VAL 103 Cb -0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2wht s VAL 103 CO 0.02 0.13 -0.05 -0.94 0.00 0.00 0.00 175.10 174.27 2wht s SER 104 N -0.39 0.57 -0.05 3.32 1.04 0.20 -0.78 113.70 117.61 2wht s SER 104 Ca 0.02 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 2wht s SER 104 Cb -0.04 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2wht s SER 104 CO -0.00 -0.39 0.26 0.21 0.98 0.00 0.00 173.24 174.31 2wht s ASN 105 N -2.12 -0.20 -0.09 7.02 2.47 0.10 -0.53 114.94 121.59 2wht s ASN 105 Ca -0.04 0.26 0.02 0.00 0.42 0.00 0.00 52.86 53.51 2wht s ASN 105 Cb -0.03 0.42 -0.02 0.00 -1.45 0.00 0.00 41.25 40.17 2wht s ASN 105 CO -0.04 -0.27 -0.14 -0.62 -3.72 0.00 0.00 177.10 172.31 2wht s ASP 106 N -0.65 3.98 -0.13 -4.21 -1.08 -0.07 -1.57 116.67 112.94 2wht s ASP 106 Ca -0.07 -0.28 0.01 0.00 -0.52 0.00 0.00 52.55 51.69 2wht s ASP 106 Cb -0.04 -1.27 0.02 0.00 -1.46 0.00 0.00 42.92 40.17 2wht s ASP 106 CO 0.02 0.24 -0.16 -0.44 0.52 0.00 0.00 175.17 175.35 2wht s SER 107 N -0.12 2.68 0.40 -0.34 0.01 -0.24 -1.04 113.70 115.06 2wht s SER 107 Ca -0.01 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 56.80 2wht s SER 107 Cb -0.14 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.87 2wht s SER 107 CO 0.04 -0.00 0.17 -0.94 0.41 0.00 0.00 173.24 172.91 2wht s SER 108 N 1.18 2.63 0.03 2.44 1.04 -0.50 -2.54 113.70 117.98 2wht s SER 108 Ca -0.01 -1.73 0.02 0.00 0.48 0.00 0.00 55.95 54.70 2wht s SER 108 Cb -0.14 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2wht s SER 108 CO -0.06 -1.00 -0.06 -0.51 0.98 0.00 0.00 173.24 172.59 2wht s ILE 109 N -3.23 0.43 -0.31 -1.02 2.07 -1.26 -0.83 121.20 117.04 2wht s ILE 109 Ca 0.26 -0.90 -0.02 0.00 -1.41 0.00 0.00 60.65 58.58 2wht s ILE 109 Cb 0.02 -0.49 0.11 0.00 0.13 0.00 0.00 42.46 42.22 2wht s ILE 109 CO 0.18 -0.33 0.13 -1.58 -1.91 0.00 0.00 174.94 171.43 2wht s GLN 110 N -1.31 0.54 7.33 3.50 2.00 0.48 -4.91 119.66 127.28 2wht s GLN 110 Ca -0.09 -0.95 0.00 0.00 -2.00 0.00 0.00 55.36 52.31 2wht s GLN 110 Cb -0.09 -1.64 0.00 0.00 0.80 0.00 0.00 33.01 32.08 2wht s GLN 110 CO 0.00 -1.03 0.00 0.41 -0.50 0.00 0.00 175.29 174.17 2wht n GLY 111 N 4.84 4.17 1.86 2.59 0.00 -1.26 -1.56 105.19 115.83 2wht n GLY 111 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 8.51 4.84 -3.97 1.61 5.03 -1.26 -4.89 115.26 125.14 2wht n ASN 112 Ca 0.00 -3.01 -0.23 0.00 0.87 0.00 0.00 54.58 52.21 2wht n ASN 112 Cb 0.00 -0.71 -0.17 0.00 -1.02 0.00 0.00 39.78 37.89 2wht n ASN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wht s PHE 114 N 0.86 3.42 -0.14 0.00 0.08 -0.21 -0.38 117.98 121.61 2wht s PHE 114 Ca -0.11 0.94 0.01 0.00 0.12 0.00 0.00 56.93 57.90 2wht s PHE 114 Cb -0.15 -2.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.99 2wht s PHE 114 CO 0.01 0.20 -0.18 0.42 -0.10 0.00 0.00 175.22 175.58 2wht s ILE 115 N -1.91 1.77 -0.17 0.64 1.01 -0.01 -0.91 121.20 121.62 2wht s ILE 115 Ca 0.49 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 2wht s ILE 115 Cb -0.11 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2wht s ILE 115 CO 0.22 0.49 -0.09 -0.31 0.00 0.00 0.00 174.94 175.25 2wht s TYR 116 N 1.12 2.90 -0.34 3.97 2.02 0.35 -1.41 117.35 125.96 2wht s TYR 116 Ca -0.02 -0.79 -0.03 0.00 -0.37 0.00 0.00 57.07 55.86 2wht s TYR 116 Cb -0.14 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.51 2wht s TYR 116 CO -0.06 -0.37 0.09 1.21 -1.57 0.00 0.00 175.55 174.84 2wht s ASN 117 N 0.89 5.10 -0.06 2.29 3.84 -0.20 -0.36 114.94 126.44 2wht s ASN 117 Ca -0.02 -1.48 0.05 0.00 0.21 0.00 0.00 52.86 51.62 2wht s ASN 117 Cb -0.15 -1.78 -0.01 0.00 -0.55 0.00 0.00 41.25 38.75 2wht s ASN 117 CO 0.00 -0.36 -0.23 0.54 -2.79 0.00 0.00 177.10 174.26 2wht s VAL 118 N 1.25 2.27 -0.04 -5.21 0.11 -0.15 -0.90 120.40 117.74 2wht s VAL 118 Ca -0.00 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 2wht s VAL 118 Cb -0.21 -1.84 -0.00 0.00 -1.53 0.00 0.00 36.38 32.80 2wht s VAL 118 CO -0.01 0.57 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.62 2wht s LYS 119 N -0.19 1.72 -0.02 1.54 1.02 0.31 -2.02 119.74 122.10 2wht s LYS 119 Ca -0.02 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.41 2wht s LYS 119 Cb -0.14 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 2wht s LYS 119 CO 0.03 0.22 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.11 2wht s ILE 120 N 0.08 0.70 -0.11 2.17 2.07 -0.84 -0.63 121.20 124.65 2wht s ILE 120 Ca -0.04 -0.33 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 2wht s ILE 120 Cb -0.11 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 41.88 2wht s ILE 120 CO 0.02 0.22 -0.03 -0.55 -1.91 0.00 0.00 174.94 172.69 2wht s SER 121 N 0.13 2.07 -0.09 4.50 0.15 0.12 -1.77 113.70 118.80 2wht s SER 121 Ca -0.02 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.37 2wht s SER 121 Cb -0.07 -0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 2wht s SER 121 CO 0.00 -0.17 -0.22 -0.83 1.20 0.00 0.00 173.24 173.22 2wht s GLY 122 N 1.82 1.37 0.14 9.45 0.00 -0.27 0.60 107.32 120.43 2wht s GLY 122 Ca 0.04 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.81 2wht s GLY 122 CO -0.07 -0.40 -0.04 -1.83 0.00 0.00 0.00 173.10 170.76 2wht s GLU 123 N 0.17 1.00 -1.54 2.90 -1.05 -0.71 -0.63 118.70 118.83 2wht s GLU 123 Ca -0.12 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.25 2wht s GLU 123 Cb -0.16 -0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.25 2wht s GLU 123 CO 0.07 -0.07 0.00 0.09 0.95 0.00 0.00 175.26 176.30 2wht n ASN 124 N -0.16 -5.16 -4.68 0.83 5.03 -1.26 -2.38 115.26 107.49 2wht n ASN 124 Ca -0.09 0.03 -0.42 0.00 0.87 0.00 0.00 54.58 54.96 2wht n ASN 124 Cb 0.62 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 35.12 2wht n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2wht s PHE 125 N -2.86 2.44 0.19 3.10 0.08 -1.26 -3.58 117.98 116.09 2wht s PHE 125 Ca 0.00 0.47 -0.33 0.00 0.12 0.00 0.00 56.93 57.19 2wht s PHE 125 Cb 0.00 -3.83 -0.14 0.00 -0.57 0.00 0.00 43.02 38.48 2wht s PHE 125 CO 0.00 -3.31 1.47 -2.30 -0.10 0.00 0.00 175.22 170.98 2wht n PRO 126 N 6.03 1.99 0.28 0.24 -0.02 -1.26 -4.83 135.00 137.43 2wht n PRO 126 Ca 0.15 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 2wht n PRO 126 Cb 0.42 -2.41 0.80 0.00 -0.02 0.00 0.00 33.50 32.29 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 4.92 0.00 -0.34 0.52 0.13 -1.99 0.10 132.00 135.35 2wht h PRO 127 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wht h PRO 127 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2wht h PRO 127 CO 0.81 0.04 0.00 -1.71 -0.23 0.00 0.00 178.00 176.91 2wht n ASN 128 N -3.96 3.65 -4.40 1.44 5.15 -1.26 -4.49 115.26 111.39 2wht n ASN 128 Ca -0.03 -2.57 -0.29 0.00 -0.60 0.00 0.00 54.58 51.09 2wht n ASN 128 Cb 0.13 -0.43 0.17 0.00 -0.53 0.00 0.00 39.78 39.12 2wht n ASN 128 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2wht s GLY 129 N -1.45 1.64 0.48 8.20 0.00 0.02 -4.80 107.32 111.41 2wht s GLY 129 Ca 0.36 -0.83 0.19 0.00 0.00 0.00 0.00 44.72 44.44 2wht s GLY 129 CO 0.13 -0.14 2.03 -0.56 0.00 0.00 0.00 173.10 174.56 2wht h PRO 130 N -1.72 0.00 0.16 2.90 0.13 -1.94 -1.23 132.00 130.30 2wht h PRO 130 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2wht h PRO 130 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2wht h PRO 130 CO 0.49 0.15 -0.08 0.28 -0.23 0.00 0.00 178.00 178.62 2wht h VAL 131 N 0.00 0.83 0.00 1.56 2.07 -1.93 0.22 116.25 119.00 2wht h VAL 131 Ca -0.00 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 2wht h VAL 131 Cb 0.30 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2wht h VAL 131 CO 0.02 0.22 -0.18 0.24 0.02 0.00 0.00 177.57 177.89 2wht h MET 132 N -0.87 0.00 -0.64 1.57 2.86 -1.77 -0.01 114.93 116.08 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 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2wht h MET 132 CO 0.04 0.18 0.00 1.04 1.06 0.00 0.00 176.91 179.23 2wht n GLN 133 N -3.56 2.53 -3.89 1.72 1.13 -0.47 -4.63 117.38 110.21 2wht n GLN 133 Ca -0.01 -2.37 -0.25 0.00 -1.94 0.00 0.00 57.00 52.43 2wht n GLN 133 Cb 0.32 -1.52 -0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 1.44 -3.97 -0.60 -1.09 5.02 -0.82 -4.90 118.16 113.23 2wht n LYS 134 Ca 0.22 0.48 0.09 0.00 -2.02 0.00 0.00 58.31 57.08 2wht n LYS 134 Cb 0.56 -4.85 0.34 0.00 -0.02 0.00 0.00 35.03 31.07 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 -4.38 3.73 -3.61 1.97 4.76 0.71 -4.98 118.16 116.36 2wht n LYS 135 Ca -0.25 -2.86 -0.30 0.00 -2.87 0.00 0.00 58.31 52.03 2wht n LYS 135 Cb 0.66 -1.88 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.96 5.14 -0.15 -0.18 -4.23 -1.25 -1.74 115.64 111.27 2wht s THR 136 Ca 0.49 -0.06 0.20 0.00 -1.18 0.00 0.00 61.69 61.14 2wht s THR 136 Cb 0.33 -3.67 0.46 0.00 1.34 0.00 0.00 72.50 70.95 2wht s THR 136 CO 0.22 -0.09 1.16 0.00 -0.54 0.00 0.00 174.62 175.37 2wht n GLN 137 N -0.32 1.24 0.00 3.99 6.02 0.13 -4.84 117.38 123.60 2wht n GLN 137 Ca -0.03 -2.95 0.00 0.00 -0.01 0.00 0.00 57.00 54.01 2wht n GLN 137 Cb 0.53 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.74 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 -0.26 1.97 3.84 1.08 0.00 -1.26 -4.67 105.19 105.89 2wht n GLY 138 Ca 0.13 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.46 3.69 0.50 1.61 0.52 -1.26 -0.65 118.94 120.89 2wht s TRP 139 Ca 0.00 1.01 -0.20 0.00 0.02 0.00 0.00 56.10 56.93 2wht s TRP 139 Cb 0.00 -2.31 -0.08 0.00 -1.15 0.00 0.00 33.47 29.93 2wht s TRP 139 CO 0.00 0.58 1.05 -1.21 0.02 0.00 0.00 176.95 177.38 2wht s GLU 140 N -1.39 3.72 0.40 4.98 0.41 -0.25 -4.74 118.70 121.82 2wht s GLU 140 Ca 0.29 1.37 -0.25 0.00 -0.41 0.00 0.00 54.97 55.97 2wht s GLU 140 Cb -0.16 -2.08 -0.11 0.00 -1.78 0.00 0.00 34.13 30.00 2wht s GLU 140 CO 0.16 -0.50 1.00 -2.30 -0.49 0.00 0.00 175.26 173.13 2wht n PRO 141 N -1.09 1.35 -4.17 0.39 -0.02 -1.26 -4.72 135.00 125.48 2wht n PRO 141 Ca 0.09 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2wht n PRO 141 Cb 0.52 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.71 0.36 -0.20 2.55 1.04 -0.76 -4.96 113.70 111.02 2wht s SER 142 Ca 0.62 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2wht s SER 142 Cb -0.58 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.05 2wht s SER 142 CO 0.57 -0.95 -0.06 -0.89 0.98 0.00 0.00 173.24 172.89 2wht s THR 143 N -3.97 1.40 0.05 2.02 2.01 -1.26 -1.21 115.64 114.68 2wht s THR 143 Ca 0.36 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 2wht s THR 143 Cb 0.05 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 2wht s THR 143 CO 0.14 0.04 0.78 -0.70 -0.69 0.00 0.00 174.62 174.19 2wht s GLU 144 N 1.48 4.51 -0.21 4.92 2.12 0.23 -4.46 118.70 127.30 2wht s GLU 144 Ca -0.02 1.09 -0.07 0.00 0.36 0.00 0.00 54.97 56.33 2wht s GLU 144 Cb -0.17 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2wht s GLU 144 CO -0.07 0.27 0.06 1.03 -0.54 0.00 0.00 175.26 176.01 2wht s ARG 145 N -0.03 3.84 0.02 4.30 0.52 0.56 -0.75 118.95 127.41 2wht s ARG 145 Ca 0.39 -0.40 0.09 0.00 -0.52 0.00 0.00 55.73 55.28 2wht s ARG 145 Cb -0.21 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 2wht s ARG 145 CO 0.23 0.10 -0.25 -0.51 0.02 0.00 0.00 175.30 174.89 2wht s LEU 146 N 0.84 2.20 0.05 2.53 1.02 0.11 -1.19 118.68 124.23 2wht s LEU 146 Ca 0.03 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.60 2wht s LEU 146 Cb -0.14 -1.33 -0.01 0.00 0.02 0.00 0.00 46.19 44.73 2wht s LEU 146 CO 0.02 0.28 0.11 0.72 0.02 0.00 0.00 176.35 177.50 2wht s PHE 147 N -0.76 0.22 0.12 0.29 -0.12 -0.47 -1.70 117.98 115.55 2wht s PHE 147 Ca 0.12 -0.57 -0.26 0.00 -0.05 0.00 0.00 56.93 56.17 2wht s PHE 147 Cb -0.10 -0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.07 2wht s PHE 147 CO 0.01 -0.41 0.79 0.00 -0.05 0.00 0.00 175.22 175.57 2wht s ALA 148 N -3.00 3.40 -0.22 1.99 0.00 -1.26 -0.63 121.76 122.04 2wht s ALA 148 Ca -0.02 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 2wht s ALA 148 Cb 0.01 -3.00 0.11 0.00 0.00 0.00 0.00 23.12 20.24 2wht s ALA 148 CO -0.06 0.18 0.41 0.50 0.00 0.00 0.00 175.76 176.79 2wht s ARG 149 N -0.66 0.34 -1.45 0.00 3.52 0.09 -4.95 118.95 115.84 2wht s ARG 149 Ca 0.38 0.85 -0.11 0.00 -0.13 0.00 0.00 55.73 56.72 2wht s ARG 149 Cb -0.22 0.04 0.05 0.00 -1.56 0.00 0.00 34.95 33.26 2wht s ARG 149 CO 0.26 -0.41 1.00 -0.25 -0.81 0.00 0.00 175.30 175.09 2wht n ASP 150 N 5.38 -4.68 0.00 -2.12 8.00 -1.26 -1.02 116.55 120.86 2wht n ASP 150 Ca -0.06 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2wht n ASP 150 Cb 0.50 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 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 -1.74 1.36 3.84 0.44 0.00 -1.26 -5.02 105.19 102.81 2wht n GLY 151 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 2.74 -0.14 1.61 -1.94 -0.19 -4.62 119.30 116.72 2wht s MET 152 Ca 0.00 -1.27 -0.05 0.00 -1.71 0.00 0.00 55.69 52.66 2wht s MET 152 Cb 0.00 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 2wht s MET 152 CO 0.00 0.14 0.02 -0.51 -0.01 0.00 0.00 175.02 174.67 2wht s LEU 153 N -3.96 3.65 -0.17 -0.03 1.02 -0.17 -0.73 118.68 118.28 2wht s LEU 153 Ca 0.40 0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.61 2wht s LEU 153 Cb -0.06 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 2wht s LEU 153 CO 0.26 0.26 -0.09 -0.63 0.02 0.00 0.00 176.35 176.17 2wht s ILE 154 N -0.16 3.20 0.06 -0.59 -1.09 0.20 -0.05 121.20 122.77 2wht s ILE 154 Ca 0.06 -0.58 0.09 0.00 -2.23 0.00 0.00 60.65 57.98 2wht s ILE 154 Cb -0.12 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 2wht s ILE 154 CO 0.02 0.48 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.14 2wht s GLY 155 N 0.90 1.50 0.02 6.18 0.00 0.47 -1.37 107.32 115.02 2wht s GLY 155 Ca -0.02 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.47 2wht s GLY 155 CO 0.00 -1.17 -0.11 -1.31 0.00 0.00 0.00 173.10 170.51 2wht s ASN 156 N -1.44 1.34 -0.16 1.64 0.01 -0.33 -0.52 114.94 115.47 2wht s ASN 156 Ca 0.13 -0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 51.87 2wht s ASN 156 Cb -0.10 -0.10 0.07 0.00 0.41 0.00 0.00 41.25 41.53 2wht s ASN 156 CO 0.04 0.04 0.35 -0.62 -1.51 0.00 0.00 177.10 175.41 2wht s ASP 157 N -0.79 -0.19 -0.81 -1.22 -1.08 -0.46 -0.32 116.67 111.80 2wht s ASP 157 Ca 0.01 0.80 -0.17 0.00 -0.52 0.00 0.00 52.55 52.67 2wht s ASP 157 Cb -0.06 0.89 0.15 0.00 -1.46 0.00 0.00 42.92 42.44 2wht s ASP 157 CO 0.00 -0.21 0.90 -0.31 0.52 0.00 0.00 175.17 176.07 2wht s TYR 158 N 2.01 3.30 0.35 -5.34 2.02 -1.26 -0.31 117.35 118.12 2wht s TYR 158 Ca -0.04 -1.47 -0.00 0.00 -0.37 0.00 0.00 57.07 55.18 2wht s TYR 158 Cb -0.11 -4.06 -0.03 0.00 -0.40 0.00 0.00 41.96 37.35 2wht s TYR 158 CO -0.11 -1.28 0.56 -1.64 -1.57 0.00 0.00 175.55 171.50 2wht s MET 159 N 1.87 3.50 -0.11 -0.62 -1.94 0.64 -4.84 119.30 117.79 2wht s MET 159 Ca 0.22 -0.29 -0.05 0.00 -1.71 0.00 0.00 55.69 53.87 2wht s MET 159 Cb -0.11 -2.65 0.06 0.00 2.01 0.00 0.00 34.83 34.13 2wht s MET 159 CO -0.05 0.14 0.24 0.00 -0.01 0.00 0.00 175.02 175.34 2wht s ALA 160 N -2.31 -0.49 -0.11 3.03 0.00 -1.26 -1.48 121.76 119.14 2wht s ALA 160 Ca 0.40 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 53.07 2wht s ALA 160 Cb -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2wht s ALA 160 CO 0.36 -0.47 0.53 -0.51 0.00 0.00 0.00 175.76 175.67 2wht s LEU 161 N 1.98 4.28 0.32 0.00 1.43 0.30 -1.09 118.68 125.90 2wht s LEU 161 Ca -0.02 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 53.68 2wht s LEU 161 Cb -0.11 -2.78 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 2wht s LEU 161 CO -0.08 -0.03 1.29 -0.54 0.23 0.00 0.00 176.35 177.22 2wht s LYS 162 N 0.69 4.38 -0.01 1.70 1.02 0.17 -0.36 119.74 127.34 2wht s LYS 162 Ca 0.28 2.17 0.03 0.00 0.02 0.00 0.00 55.97 58.48 2wht s LYS 162 Cb -0.16 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2wht s LYS 162 CO 0.12 -0.15 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.79 2wht s LEU 163 N -1.71 3.02 -0.10 3.17 1.43 -0.47 0.17 118.68 124.18 2wht s LEU 163 Ca 0.49 -0.17 -0.39 0.00 -1.03 0.00 0.00 54.13 53.02 2wht s LEU 163 Cb -0.39 -1.71 -0.17 0.00 0.03 0.00 0.00 46.19 43.95 2wht s LEU 163 CO 0.51 0.30 1.47 1.21 0.23 0.00 0.00 176.35 180.07 2wht n GLU 164 N 1.80 0.89 0.00 1.70 2.13 -0.71 0.15 120.64 126.60 2wht n GLU 164 Ca -0.16 0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2wht n GLU 164 Cb 0.52 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 3.09 2.87 0.00 8.31 0.00 -1.26 -4.57 105.19 113.62 2wht n GLY 165 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.89 0.71 2.00 -0.02 0.00 0.12 -5.12 105.19 101.99 2wht n GLY 166 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.16 -2.00 3.12 -0.02 0.00 -1.21 -4.79 105.19 99.13 2wht n GLY 167 Ca 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.33 0.94 -0.18 1.61 0.09 -1.26 -1.37 115.29 112.79 2wht s HIS 168 Ca 0.40 -0.52 0.00 0.00 -0.00 0.00 0.00 55.06 54.94 2wht s HIS 168 Cb -0.02 -0.54 0.04 0.00 -0.00 0.00 0.00 32.58 32.06 2wht s HIS 168 CO 0.29 -0.02 -0.10 -0.47 -0.00 0.00 0.00 174.74 174.44 2wht s TYR 169 N -1.56 2.15 0.25 1.40 5.04 0.51 -4.92 117.35 120.23 2wht s TYR 169 Ca -0.04 -1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 53.22 2wht s TYR 169 Cb -0.09 -1.53 -0.04 0.00 0.35 0.00 0.00 41.96 40.65 2wht s TYR 169 CO 0.01 -0.69 0.46 -0.51 -1.34 0.00 0.00 175.55 173.48 2wht s LEU 170 N 1.49 4.15 -0.24 6.97 1.43 -1.26 -0.54 118.68 130.68 2wht s LEU 170 Ca 0.01 0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2wht s LEU 170 Cb -0.15 -3.25 0.08 0.00 0.03 0.00 0.00 46.19 42.89 2wht s LEU 170 CO -0.09 -0.13 0.58 0.00 0.23 0.00 0.00 176.35 176.94 2wht s GLU 172 N 1.70 4.13 -0.04 0.00 2.12 -0.34 -0.26 118.70 126.01 2wht s GLU 172 Ca -0.09 0.33 -0.24 0.00 0.36 0.00 0.00 54.97 55.33 2wht s GLU 172 Cb -0.07 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 2wht s GLU 172 CO -0.17 -0.22 0.73 -0.06 -0.54 0.00 0.00 175.26 175.00 2wht s PHE 173 N 1.89 3.62 -0.19 5.30 0.40 0.58 -0.88 117.98 128.70 2wht s PHE 173 Ca 0.22 1.33 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 2wht s PHE 173 Cb -0.15 -2.82 0.03 0.00 0.51 0.00 0.00 43.02 40.58 2wht s PHE 173 CO 0.09 0.13 -0.18 0.15 0.70 0.00 0.00 175.22 176.11 2wht s LYS 174 N 0.60 2.81 0.06 0.44 1.02 -0.56 -1.35 119.74 122.76 2wht s LYS 174 Ca 0.39 -0.91 0.08 0.00 0.02 0.00 0.00 55.97 55.54 2wht s LYS 174 Cb -0.19 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 2wht s LYS 174 CO 0.20 -0.28 -0.22 -1.12 -0.92 0.00 0.00 175.35 173.01 2wht s SER 175 N 1.26 2.63 -0.11 2.83 0.01 0.32 -0.92 113.70 119.73 2wht s SER 175 Ca 0.02 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2wht s SER 175 Cb -0.14 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.90 2wht s SER 175 CO -0.11 0.16 -0.12 -0.89 0.41 0.00 0.00 173.24 172.68 2wht s THR 176 N -0.89 1.28 -0.13 1.44 2.01 0.09 -0.39 115.64 119.05 2wht s THR 176 Ca 0.08 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 2wht s THR 176 Cb -0.09 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2wht s THR 176 CO 0.03 0.40 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.01 2wht s TYR 177 N 1.22 3.04 -0.31 4.92 2.02 0.93 -1.52 117.35 127.65 2wht s TYR 177 Ca -0.03 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 2wht s TYR 177 Cb -0.14 -1.89 0.10 0.00 -0.40 0.00 0.00 41.96 39.63 2wht s TYR 177 CO -0.04 0.12 0.13 0.21 -1.57 0.00 0.00 175.55 174.40 2wht s LYS 178 N -0.05 0.45 0.68 -0.62 2.20 -0.27 -1.00 119.74 121.14 2wht s LYS 178 Ca 0.02 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 54.64 2wht s LYS 178 Cb -0.13 -1.51 0.01 0.00 -1.51 0.00 0.00 37.83 34.69 2wht s LYS 178 CO 0.02 -1.03 1.12 0.00 -0.36 0.00 0.00 175.35 175.11 2wht s ALA 179 N 1.78 2.37 -2.23 3.13 0.00 -1.26 -0.69 121.76 124.86 2wht s ALA 179 Ca 0.10 0.58 0.29 0.00 0.00 0.00 0.00 51.96 52.93 2wht s ALA 179 Cb -0.17 -3.34 1.29 0.00 0.00 0.00 0.00 23.12 20.89 2wht s ALA 179 CO -0.28 -1.44 1.88 1.63 0.00 0.00 0.00 175.76 177.54 2wht n LYS 180 N -2.59 1.34 -3.84 0.00 5.02 0.36 -4.88 118.16 113.57 2wht n LYS 180 Ca 0.11 -0.60 -0.10 0.00 -2.02 0.00 0.00 58.31 55.70 2wht n LYS 180 Cb 0.52 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.08 1.14 0.40 1.97 -2.85 -1.26 -5.02 119.74 112.05 2wht s LYS 181 Ca 0.39 -0.99 -0.27 0.00 -1.00 0.00 0.00 55.97 54.11 2wht s LYS 181 Cb 0.21 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 36.31 2wht s LYS 181 CO 0.37 -0.43 1.41 -2.14 0.10 0.00 0.00 175.35 174.65 2wht s PRO 182 N -3.90 3.95 0.20 1.78 0.02 -1.26 -4.97 135.00 130.82 2wht s PRO 182 Ca 0.11 2.40 -0.00 0.00 0.02 0.00 0.00 61.00 63.52 2wht s PRO 182 Cb 0.02 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 2wht s PRO 182 CO -0.05 -0.59 0.11 0.14 -0.33 0.00 0.00 177.00 176.28 2wht s VAL 183 N -1.18 0.15 -0.01 3.83 -7.23 -1.26 -5.02 120.40 109.68 2wht s VAL 183 Ca 0.56 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 2wht s VAL 183 Cb -0.43 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 2wht s VAL 183 CO 0.57 -0.10 1.72 -0.13 -0.31 0.00 0.00 175.10 176.84 2wht s ARG 184 N -4.11 4.18 0.02 4.82 0.52 -1.26 -4.97 118.95 118.15 2wht s ARG 184 Ca 0.36 2.30 -0.25 0.00 -0.52 0.00 0.00 55.73 57.62 2wht s ARG 184 Cb 0.07 -3.95 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2wht s ARG 184 CO 0.10 -0.84 0.75 -1.64 0.02 0.00 0.00 175.30 173.69 2wht s MET 185 N 3.85 4.48 0.67 3.54 -1.94 -1.26 -4.62 119.30 124.02 2wht s MET 185 Ca 0.76 1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 55.66 2wht s MET 185 Cb -0.36 -3.38 -0.01 0.00 2.01 0.00 0.00 34.83 33.09 2wht s MET 185 CO 0.32 0.24 1.06 -1.25 -0.01 0.00 0.00 175.02 175.39 2wht s PRO 186 N 0.10 3.15 0.33 2.03 0.04 -1.26 -4.78 135.00 134.60 2wht s PRO 186 Ca 0.38 0.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 2wht s PRO 186 Cb -0.20 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.38 2wht s PRO 186 CO 0.22 -0.89 0.45 0.41 0.04 0.00 0.00 177.00 177.23 2wht n GLY 187 N -2.60 -0.64 3.57 0.56 0.00 -1.26 -4.41 105.19 100.40 2wht n GLY 187 Ca 0.07 -1.78 -0.50 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.92 1.02 -3.85 1.61 1.74 -1.26 -4.74 116.66 109.25 2wht n ARG 188 Ca 0.06 0.36 -0.09 0.00 -0.77 0.00 0.00 57.85 57.42 2wht n ARG 188 Cb 0.21 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 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 -0.06 0.10 0.03 -1.55 -3.43 -0.69 -4.19 115.29 105.50 2wht s HIS 189 Ca 0.77 -0.67 0.03 0.00 -0.80 0.00 0.00 55.06 54.38 2wht s HIS 189 Cb -0.91 0.71 -0.02 0.00 -1.43 0.00 0.00 32.58 30.93 2wht s HIS 189 CO 0.51 -1.42 -0.08 -1.21 -2.00 0.00 0.00 174.74 170.54 2wht s GLU 190 N -2.91 0.57 -0.13 -0.38 2.02 -0.47 0.06 118.70 117.46 2wht s GLU 190 Ca 0.15 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.58 2wht s GLU 190 Cb -0.05 -0.45 0.01 0.00 0.10 0.00 0.00 34.13 33.74 2wht s GLU 190 CO 0.11 0.10 -0.19 0.42 0.02 0.00 0.00 175.26 175.72 2wht s ILE 191 N -0.89 1.84 -0.17 -1.63 1.01 0.08 -0.74 121.20 120.70 2wht s ILE 191 Ca -0.04 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2wht s ILE 191 Cb -0.07 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2wht s ILE 191 CO 0.00 0.51 0.20 -1.81 0.00 0.00 0.00 174.94 173.84 2wht s ASP 192 N 0.90 6.33 0.09 3.58 1.01 -0.28 -0.60 116.67 127.70 2wht s ASP 192 Ca -0.06 0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.63 2wht s ASP 192 Cb -0.15 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 2wht s ASP 192 CO -0.02 0.18 -0.12 -0.13 0.21 0.00 0.00 175.17 175.28 2wht s ARG 193 N 0.20 0.84 0.00 8.23 0.52 -0.35 -1.50 118.95 126.91 2wht s ARG 193 Ca 0.12 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 2wht s ARG 193 Cb -0.12 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.64 2wht s ARG 193 CO 0.01 0.14 -0.10 -1.59 0.02 0.00 0.00 175.30 173.78 2wht s LYS 194 N -2.26 0.74 -0.05 3.54 -2.85 -0.75 -1.82 119.74 116.29 2wht s LYS 194 Ca 0.02 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2wht s LYS 194 Cb -0.07 -0.70 0.03 0.00 -2.06 0.00 0.00 37.83 35.03 2wht s LYS 194 CO 0.02 0.19 -0.02 -1.17 0.10 0.00 0.00 175.35 174.46 2wht s LEU 195 N -0.48 1.06 -0.01 2.77 2.96 -1.26 -1.42 118.68 122.30 2wht s LEU 195 Ca 0.02 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2wht s LEU 195 Cb -0.05 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.28 2wht s LEU 195 CO -0.00 -0.11 -0.04 -1.81 -1.32 0.00 0.00 176.35 173.07 2wht s ASP 196 N 1.25 0.59 -0.16 3.68 1.01 -0.82 -4.44 116.67 117.78 2wht s ASP 196 Ca -0.06 -0.08 -0.29 0.00 0.71 0.00 0.00 52.55 52.82 2wht s ASP 196 Cb -0.13 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.63 2wht s ASP 196 CO -0.02 0.02 1.43 -0.69 0.21 0.00 0.00 175.17 176.11 2wht s VAL 197 N 0.21 3.99 -0.14 -1.27 1.01 -1.26 -1.16 120.40 121.78 2wht s VAL 197 Ca -0.02 1.18 0.20 0.00 0.00 0.00 0.00 61.98 63.34 2wht s VAL 197 Cb -0.06 -3.82 -0.17 0.00 0.00 0.00 0.00 36.38 32.33 2wht s VAL 197 CO -0.00 -0.18 0.71 0.35 0.00 0.00 0.00 175.10 175.98 2wht n THR 198 N 5.64 0.71 -3.51 3.92 -2.24 -0.04 -4.96 114.28 113.80 2wht n THR 198 Ca 0.16 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 2wht n THR 198 Cb 0.44 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -5.27 -0.42 0.10 3.42 1.04 -1.19 -5.00 113.70 106.38 2wht s SER 199 Ca -0.04 0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 2wht s SER 199 Cb 0.10 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.68 2wht s SER 199 CO 0.83 -0.60 0.51 -1.38 0.98 0.00 0.00 173.24 173.59 2wht s HIS 200 N -2.54 -0.40 0.94 5.02 -3.43 -1.26 -0.40 115.29 113.22 2wht s HIS 200 Ca 0.01 0.29 -0.15 0.00 -0.80 0.00 0.00 55.06 54.41 2wht s HIS 200 Cb -0.01 0.38 0.18 0.00 -1.43 0.00 0.00 32.58 31.70 2wht s HIS 200 CO -0.05 -0.71 1.29 0.54 -2.00 0.00 0.00 174.74 173.81 2wht s ASN 201 N -2.39 3.28 0.27 7.38 2.20 -0.33 -4.97 114.94 120.37 2wht s ASN 201 Ca -0.01 0.36 -0.02 0.00 -0.94 0.00 0.00 52.86 52.25 2wht s ASN 201 Cb -0.00 -0.48 0.42 0.00 -2.00 0.00 0.00 41.25 39.18 2wht s ASN 201 CO -0.07 -2.64 1.88 -0.09 -2.94 0.00 0.00 177.10 173.23 2wht h ARG 202 N -1.58 1.13 -0.54 3.55 2.43 -2.03 -2.68 114.38 114.66 2wht h ARG 202 Ca -0.45 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2wht h ARG 202 Cb 1.25 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2wht h ARG 202 CO 0.42 0.74 0.00 -0.40 -1.51 0.00 0.00 179.97 179.23 2wht n ASP 203 N -4.51 3.85 -2.80 -3.80 5.75 -1.26 -4.97 116.55 108.81 2wht n ASP 203 Ca 0.16 -2.22 -0.20 0.00 -0.01 0.00 0.00 54.79 52.51 2wht n ASP 203 Cb 0.20 -0.44 0.01 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.93 -1.57 0.70 2.11 4.02 -1.01 -4.41 117.16 117.91 2wht n TYR 204 Ca 0.20 0.27 0.13 0.00 -0.01 0.00 0.00 57.90 58.49 2wht n TYR 204 Cb 0.66 -3.73 0.35 0.00 -0.02 0.00 0.00 39.34 36.59 2wht n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2wht n THR 205 N -4.05 0.38 -4.31 -0.72 -2.24 -1.26 -4.73 114.28 97.35 2wht n THR 205 Ca -0.14 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 2wht n THR 205 Cb 0.62 -0.35 -0.17 0.00 -2.10 0.00 0.00 70.33 68.34 2wht n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wht s SER 206 N -4.08 1.60 -0.07 3.42 0.01 -1.26 -0.64 113.70 112.68 2wht s SER 206 Ca 0.10 -0.24 -0.08 0.00 1.31 0.00 0.00 55.95 57.04 2wht s SER 206 Cb 0.14 -0.71 0.02 0.00 0.21 0.00 0.00 66.02 65.68 2wht s SER 206 CO 0.64 -0.03 0.21 -0.69 0.41 0.00 0.00 173.24 173.78 2wht s VAL 207 N 0.97 0.02 0.03 3.43 1.01 -0.71 -1.19 120.40 123.96 2wht s VAL 207 Ca -0.09 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2wht s VAL 207 Cb -0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2wht s VAL 207 CO 0.00 -0.07 -0.23 -1.61 0.00 0.00 0.00 175.10 173.19 2wht s GLU 208 N -0.18 1.61 0.09 2.72 2.02 0.47 0.83 118.70 126.26 2wht s GLU 208 Ca -0.03 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.01 2wht s GLU 208 Cb -0.03 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 2wht s GLU 208 CO 0.01 0.45 -0.09 -0.65 0.02 0.00 0.00 175.26 175.00 2wht s GLN 209 N -1.08 0.80 0.16 1.61 -0.21 -0.57 -0.87 119.66 119.51 2wht s GLN 209 Ca 0.09 -1.16 0.07 0.00 0.02 0.00 0.00 55.36 54.39 2wht s GLN 209 Cb -0.09 -0.39 -0.04 0.00 1.00 0.00 0.00 33.01 33.49 2wht s GLN 209 CO 0.01 0.04 -0.16 0.00 -2.12 0.00 0.00 175.29 173.07 2wht s GLU 211 N -3.02 0.15 -0.03 0.00 2.12 -0.30 -1.94 118.70 115.67 2wht s GLU 211 Ca 0.16 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.33 2wht s GLU 211 Cb -0.04 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2wht s GLU 211 CO 0.05 -0.02 -0.19 -1.50 -0.54 0.00 0.00 175.26 173.06 2wht s ILE 212 N -0.55 1.55 -0.09 -3.70 1.10 -0.51 -2.11 121.20 116.89 2wht s ILE 212 Ca -0.06 -0.81 -0.04 0.00 -0.51 0.00 0.00 60.65 59.23 2wht s ILE 212 Cb -0.04 -1.31 0.05 0.00 0.15 0.00 0.00 42.46 41.31 2wht s ILE 212 CO -0.00 0.44 0.20 0.00 -2.11 0.00 0.00 174.94 173.46 2wht s ALA 213 N -0.21 -0.35 -0.04 1.50 0.00 0.23 -1.80 121.76 121.09 2wht s ALA 213 Ca 0.01 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.74 2wht s ALA 213 Cb -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2wht s ALA 213 CO 0.01 -0.40 -0.03 0.42 0.00 0.00 0.00 175.76 175.76 2wht s ILE 214 N 1.82 0.43 0.32 0.00 1.01 -0.56 -0.77 121.20 123.44 2wht s ILE 214 Ca -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2wht s ILE 214 Cb -0.12 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.82 2wht s ILE 214 CO -0.07 0.20 0.65 0.00 0.00 0.00 0.00 174.94 175.72 2wht s ALA 215 N 0.90 3.48 0.30 9.38 0.00 0.86 -1.13 121.76 135.55 2wht s ALA 215 Ca -0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.41 2wht s ALA 215 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.47 2wht s ALA 215 CO -0.00 0.24 0.63 -0.98 0.00 0.00 0.00 175.76 175.64 2wht s ARG 216 N -3.38 1.82 0.61 0.00 1.70 0.09 -4.45 118.95 115.33 2wht s ARG 216 Ca 0.49 -1.26 -0.16 0.00 -0.47 0.00 0.00 55.73 54.32 2wht s ARG 216 Cb -0.11 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2wht s ARG 216 CO 0.26 -0.81 1.08 -1.01 -1.08 0.00 0.00 175.30 173.74 2wht s HIS 217 N -3.51 2.86 0.72 5.89 3.76 -1.26 -1.37 115.29 122.39 2wht s HIS 217 Ca 0.18 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.51 2wht s HIS 217 Cb -0.03 -3.07 0.03 0.00 1.11 0.00 0.00 32.58 30.61 2wht s HIS 217 CO 0.10 -1.30 1.07 -1.12 -0.85 0.00 0.00 174.74 172.64 2wht s SER 218 N -2.66 5.11 0.00 1.40 0.01 -1.26 -4.62 113.70 111.68 2wht s SER 218 Ca 0.65 1.57 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2wht s SER 218 Cb -0.18 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2wht s SER 218 CO 0.37 -1.61 0.42 -0.11 0.41 0.00 0.00 173.24 172.73