#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eey s SER 2 N 0.00 4.87 0.10 1.61 0.01 -1.26 -3.88 113.70 115.14 1eey s SER 2 Ca 0.00 1.84 -0.09 0.00 1.31 0.00 0.00 55.95 59.01 1eey s SER 2 Cb 0.00 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1eey s SER 2 CO 0.00 -1.79 0.21 -1.00 0.41 0.00 0.00 173.24 171.07 1eey s HIS 3 N -2.74 0.19 0.10 2.43 0.09 -0.83 -4.95 115.29 109.58 1eey s HIS 3 Ca 0.62 -0.60 -0.13 0.00 -0.00 0.00 0.00 55.06 54.95 1eey s HIS 3 Cb -0.18 -0.05 0.02 0.00 -0.00 0.00 0.00 32.58 32.37 1eey s HIS 3 CO 0.51 -0.58 0.31 -1.54 -0.00 0.00 0.00 174.74 173.44 1eey s SER 4 N -2.88 -0.09 -0.04 1.40 1.04 -1.26 -0.95 113.70 110.91 1eey s SER 4 Ca 0.07 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1eey s SER 4 Cb 0.04 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1eey s SER 4 CO -0.09 -0.78 -0.03 -0.32 0.98 0.00 0.00 173.24 173.00 1eey s MET 5 N -3.65 0.72 -0.03 4.02 1.75 -0.83 0.02 119.30 121.29 1eey s MET 5 Ca 0.03 -0.06 -0.11 0.00 -1.25 0.00 0.00 55.69 54.30 1eey s MET 5 Cb 0.03 -0.78 0.02 0.00 2.84 0.00 0.00 34.83 36.93 1eey s MET 5 CO -0.10 -0.11 0.25 -0.98 -0.65 0.00 0.00 175.02 173.43 1eey s ARG 6 N 1.01 0.52 -0.13 4.11 1.70 -0.51 -2.02 118.95 123.63 1eey s ARG 6 Ca -0.10 -0.10 -0.02 0.00 -0.47 0.00 0.00 55.73 55.05 1eey s ARG 6 Cb -0.14 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.45 1eey s ARG 6 CO -0.01 -0.12 -0.07 0.71 -1.08 0.00 0.00 175.30 174.73 1eey s TYR 7 N -0.95 2.95 -0.14 5.89 2.02 -0.34 -0.86 117.35 125.92 1eey s TYR 7 Ca -0.10 -0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1eey s TYR 7 Cb -0.05 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1eey s TYR 7 CO 0.02 0.01 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.83 1eey s PHE 8 N 0.06 2.81 -0.09 2.71 0.08 -0.14 -2.37 117.98 121.04 1eey s PHE 8 Ca -0.02 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.27 1eey s PHE 8 Cb -0.14 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1eey s PHE 8 CO 0.03 -0.31 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.61 1eey s PHE 9 N 0.57 1.95 -0.10 0.36 0.08 0.23 -1.54 117.98 119.53 1eey s PHE 9 Ca -0.08 -0.83 0.02 0.00 0.12 0.00 0.00 56.93 56.16 1eey s PHE 9 Cb -0.16 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1eey s PHE 9 CO 0.03 -0.40 -0.17 0.99 -0.10 0.00 0.00 175.22 175.58 1eey s THR 10 N 0.72 1.59 -0.09 0.64 2.01 -0.11 -1.02 115.64 119.37 1eey s THR 10 Ca -0.12 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1eey s THR 10 Cb -0.16 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.93 1eey s THR 10 CO 0.03 0.46 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.68 1eey s SER 11 N 0.81 2.54 -0.11 3.53 0.15 -0.11 -0.95 113.70 119.57 1eey s SER 11 Ca -0.10 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 1eey s SER 11 Cb -0.16 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.02 1eey s SER 11 CO 0.01 0.10 -0.04 -0.69 1.20 0.00 0.00 173.24 173.81 1eey s VAL 12 N 0.53 0.79 0.48 4.45 1.01 0.11 -1.40 120.40 126.37 1eey s VAL 12 Ca -0.16 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1eey s VAL 12 Cb -0.17 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 1eey s VAL 12 CO 0.06 0.30 1.16 -0.94 0.00 0.00 0.00 175.10 175.67 1eey s SER 13 N 1.80 6.07 -0.53 3.32 1.04 -0.74 -0.38 113.70 124.28 1eey s SER 13 Ca 0.04 2.27 0.06 0.00 0.48 0.00 0.00 55.95 58.80 1eey s SER 13 Cb -0.13 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.60 1eey s SER 13 CO -0.07 -0.99 0.51 0.54 0.98 0.00 0.00 173.24 174.21 1eey n ARG 14 N -0.68 1.20 -1.71 4.02 1.74 -1.26 -4.30 116.66 115.68 1eey n ARG 14 Ca 0.08 -3.82 -0.57 0.00 -0.77 0.00 0.00 57.85 52.78 1eey n ARG 14 Cb 0.49 -1.83 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 1eey n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1eey n PRO 15 N 1.86 1.18 -0.80 5.56 -0.02 -1.26 -0.70 135.00 140.83 1eey n PRO 15 Ca 0.25 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1eey n PRO 15 Cb 0.45 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1eey n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eey n GLY 16 N 4.12 0.41 0.64 -1.23 0.00 -1.26 -4.80 105.19 103.07 1eey n GLY 16 Ca 0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.33 1eey n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eey n ARG 17 N -1.73 1.86 0.00 1.61 1.74 0.13 -5.10 116.66 115.17 1eey n ARG 17 Ca 0.00 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.14 1eey n ARG 17 Cb 0.06 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1eey n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1eey n GLY 18 N -1.08 -0.27 3.75 -0.13 0.00 -1.21 -4.96 105.19 101.30 1eey n GLY 18 Ca 0.22 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1eey n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1eey s GLU 19 N 0.00 2.78 0.42 1.61 2.56 -1.26 -4.57 118.70 120.25 1eey s GLU 19 Ca 0.00 1.83 -0.24 0.00 0.00 0.00 0.00 54.97 56.56 1eey s GLU 19 Cb 0.00 -1.90 -0.08 0.00 2.00 0.00 0.00 34.13 34.15 1eey s GLU 19 CO 0.00 -1.36 1.17 -2.14 -0.56 0.00 0.00 175.26 172.38 1eey s PRO 20 N -3.45 3.93 0.16 4.30 0.02 -1.26 -4.55 135.00 134.14 1eey s PRO 20 Ca 0.77 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 1eey s PRO 20 Cb -0.31 -2.57 -0.07 0.00 0.02 0.00 0.00 34.50 31.57 1eey s PRO 20 CO 0.36 -0.42 1.05 0.50 -0.33 0.00 0.00 177.00 178.17 1eey s ARG 21 N -2.46 4.63 -0.06 5.54 6.06 0.49 -4.86 118.95 128.30 1eey s ARG 21 Ca 0.60 1.63 0.00 0.00 -2.50 0.00 0.00 55.73 55.46 1eey s ARG 21 Cb -0.30 -3.31 0.02 0.00 0.06 0.00 0.00 34.95 31.43 1eey s ARG 21 CO 0.37 0.13 -0.04 0.12 -2.50 0.00 0.00 175.30 173.39 1eey s PHE 22 N -0.19 0.80 -0.04 5.12 5.36 -1.26 -0.71 117.98 127.06 1eey s PHE 22 Ca 0.48 -0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1eey s PHE 22 Cb -0.27 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.67 1eey s PHE 22 CO 0.33 -0.25 -0.05 0.42 -1.46 0.00 0.00 175.22 174.20 1eey s ILE 23 N 1.25 0.60 0.00 3.12 1.01 -0.12 -1.00 121.20 126.05 1eey s ILE 23 Ca -0.06 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1eey s ILE 23 Cb -0.14 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 1eey s ILE 23 CO -0.02 0.23 -0.17 0.00 0.00 0.00 0.00 174.94 174.98 1eey s ALA 24 N 0.79 1.45 0.01 9.38 0.00 -0.53 -0.94 121.76 131.93 1eey s ALA 24 Ca -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1eey s ALA 24 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1eey s ALA 24 CO 0.01 0.34 0.04 0.14 0.00 0.00 0.00 175.76 176.29 1eey s VAL 25 N -0.51 0.08 0.04 0.00 -7.23 -0.59 -0.96 120.40 111.23 1eey s VAL 25 Ca 0.06 -0.68 0.09 0.00 -1.81 0.00 0.00 61.98 59.64 1eey s VAL 25 Cb -0.07 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1eey s VAL 25 CO -0.00 -0.37 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.34 1eey s GLY 26 N -1.16 1.32 0.06 2.32 0.00 -0.89 -0.97 107.32 108.00 1eey s GLY 26 Ca -0.13 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.43 1eey s GLY 26 CO -0.00 -1.08 -0.11 -0.19 0.00 0.00 0.00 173.10 171.71 1eey s TYR 27 N -0.77 1.00 -0.22 1.90 1.51 -0.04 -1.01 117.35 119.72 1eey s TYR 27 Ca 0.11 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1eey s TYR 27 Cb -0.10 -0.57 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1eey s TYR 27 CO 0.02 -0.00 -0.14 0.08 -1.11 0.00 0.00 175.55 174.40 1eey s VAL 28 N -1.46 1.98 0.00 0.71 1.01 0.17 -1.42 120.40 121.39 1eey s VAL 28 Ca -0.04 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1eey s VAL 28 Cb -0.09 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1eey s VAL 28 CO 0.01 0.21 0.00 0.47 0.00 0.00 0.00 175.10 175.79 1eey n ASP 29 N 4.57 0.00 -1.55 3.32 8.00 0.10 -1.01 116.55 129.98 1eey n ASP 29 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.42 1eey n ASP 29 Cb 0.46 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.91 1eey n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1eey n ASP 30 N 6.20 4.91 -4.31 -2.24 8.00 -1.26 -4.90 116.55 122.94 1eey n ASP 30 Ca 0.00 -2.67 -0.35 0.00 0.71 0.00 0.00 54.79 52.48 1eey n ASP 30 Cb 0.00 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.36 1eey n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1eey s THR 31 N -2.26 3.28 0.28 -3.53 2.01 -0.18 -5.03 115.64 110.21 1eey s THR 31 Ca 0.50 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 1eey s THR 31 Cb 0.35 -2.47 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 1eey s THR 31 CO 0.19 0.45 1.02 -1.58 -0.69 0.00 0.00 174.62 174.00 1eey s GLN 32 N 1.29 4.69 0.00 4.92 0.74 -1.26 -0.65 119.66 129.38 1eey s GLN 32 Ca 0.03 1.62 0.00 0.00 0.05 0.00 0.00 55.36 57.06 1eey s GLN 32 Cb -0.14 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.82 1eey s GLN 32 CO -0.03 0.32 0.00 1.97 -0.55 0.00 0.00 175.29 177.00 1eey n PHE 33 N 1.18 0.00 -3.96 1.67 -1.74 -0.18 -4.07 117.46 110.36 1eey n PHE 33 Ca -0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.79 1eey n PHE 33 Cb 0.46 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.39 1eey n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1eey s VAL 34 N -1.09 0.10 0.16 1.97 -7.23 -1.24 -0.15 120.40 112.92 1eey s VAL 34 Ca 0.00 -1.42 -0.20 0.00 -1.81 0.00 0.00 61.98 58.55 1eey s VAL 34 Cb 0.00 -1.70 0.05 0.00 0.56 0.00 0.00 36.38 35.29 1eey s VAL 34 CO 0.00 -0.47 0.53 0.00 -0.31 0.00 0.00 175.10 174.85 1eey s ARG 35 N -3.94 1.23 -0.13 4.82 1.70 -0.28 -2.09 118.95 120.26 1eey s ARG 35 Ca 0.14 -0.62 -0.07 0.00 -0.47 0.00 0.00 55.73 54.72 1eey s ARG 35 Cb 0.05 0.54 0.06 0.00 -0.57 0.00 0.00 34.95 35.02 1eey s ARG 35 CO -0.04 -0.52 0.31 0.12 -1.08 0.00 0.00 175.30 174.09 1eey s PHE 36 N -3.79 -0.46 -0.20 5.89 5.36 -0.13 -0.18 117.98 124.47 1eey s PHE 36 Ca 0.03 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1eey s PHE 36 Cb -0.00 0.13 0.05 0.00 -0.34 0.00 0.00 43.02 42.85 1eey s PHE 36 CO -0.11 -0.30 -0.06 0.34 -1.46 0.00 0.00 175.22 173.63 1eey s ASP 37 N 1.51 3.34 0.56 6.13 -1.08 -1.26 -1.45 116.67 124.43 1eey s ASP 37 Ca -0.08 -0.91 0.29 0.00 -0.52 0.00 0.00 52.55 51.33 1eey s ASP 37 Cb -0.10 -1.08 1.47 0.00 -1.46 0.00 0.00 42.92 41.76 1eey s ASP 37 CO -0.10 -0.20 1.93 0.77 0.52 0.00 0.00 175.17 178.09 1eey h SER 38 N 8.03 0.00 0.16 -0.34 4.64 -1.46 0.13 113.55 124.72 1eey h SER 38 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1eey h SER 38 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1eey h SER 38 CO 0.42 0.00 -0.20 0.47 -0.87 0.00 0.00 176.83 176.66 1eey n ASP 39 N -3.99 1.20 -4.85 4.97 9.92 -1.26 -4.93 116.55 117.61 1eey n ASP 39 Ca 0.10 -1.08 -0.31 0.00 -0.53 0.00 0.00 54.79 52.97 1eey n ASP 39 Cb 0.69 0.11 0.01 0.00 -0.64 0.00 0.00 41.12 41.29 1eey n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1eey s ALA 40 N -2.37 2.99 0.18 2.24 0.00 0.46 -5.00 121.76 120.27 1eey s ALA 40 Ca 0.28 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1eey s ALA 40 Cb 0.20 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 20.29 1eey s ALA 40 CO 0.47 -0.68 1.52 0.00 0.00 0.00 0.00 175.76 177.07 1eey h ALA 41 N -0.03 0.71 -0.35 0.00 0.00 -1.92 -3.31 119.26 114.37 1eey h ALA 41 Ca -0.45 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 1eey h ALA 41 Cb 1.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1eey h ALA 41 CO 0.61 0.67 -0.15 0.66 0.00 0.00 0.00 179.25 181.03 1eey h SER 42 N 0.56 0.61 -4.39 0.00 4.64 -1.94 -3.47 113.55 109.56 1eey h SER 42 Ca 0.04 -0.18 -0.38 0.00 -0.47 0.00 0.00 61.79 60.80 1eey h SER 42 Cb 0.99 -0.16 0.07 0.00 -0.31 0.00 0.00 62.40 62.99 1eey h SER 42 CO 0.09 0.78 -0.58 0.00 -0.87 0.00 0.00 176.83 176.26 1eey n GLN 43 N -4.16 -5.05 -4.11 4.77 1.13 -1.25 -4.99 117.38 103.71 1eey n GLN 43 Ca 0.01 0.84 -0.09 0.00 -1.94 0.00 0.00 57.00 55.81 1eey n GLN 43 Cb 0.36 -5.59 -0.10 0.00 0.11 0.00 0.00 30.24 25.02 1eey n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1eey s ARG 44 N -5.72 0.68 0.28 -1.09 0.52 -1.26 -5.02 118.95 107.34 1eey s ARG 44 Ca 0.33 -1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 1eey s ARG 44 Cb -0.14 -0.04 -0.10 0.00 0.52 0.00 0.00 34.95 35.19 1eey s ARG 44 CO 0.40 -0.05 1.28 1.41 0.02 0.00 0.00 175.30 178.36 1eey s MET 45 N -3.41 4.41 0.09 3.54 -2.45 -1.26 -4.67 119.30 115.55 1eey s MET 45 Ca 0.05 2.10 0.08 0.00 -1.25 0.00 0.00 55.69 56.67 1eey s MET 45 Cb 0.03 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.95 1eey s MET 45 CO -0.06 -0.14 -0.20 -1.21 1.05 0.00 0.00 175.02 174.46 1eey s GLU 46 N -1.20 1.10 0.24 4.11 2.02 0.75 -4.90 118.70 120.82 1eey s GLU 46 Ca 0.51 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1eey s GLU 46 Cb -0.38 -1.30 -0.09 0.00 0.10 0.00 0.00 34.13 32.46 1eey s GLU 46 CO 0.46 0.31 1.03 -1.25 0.02 0.00 0.00 175.26 175.82 1eey s PRO 47 N -1.79 4.73 0.00 0.39 0.04 -1.26 -1.12 135.00 135.98 1eey s PRO 47 Ca 0.05 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1eey s PRO 47 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1eey s PRO 47 CO 0.04 0.32 0.59 0.54 0.04 0.00 0.00 177.00 178.53 1eey n ARG 48 N 1.51 0.76 -3.98 4.56 5.12 0.79 -4.88 116.66 120.55 1eey n ARG 48 Ca -0.01 -0.77 -0.14 0.00 -1.93 0.00 0.00 57.85 55.00 1eey n ARG 48 Cb 0.46 -0.82 -0.14 0.00 -1.16 0.00 0.00 32.46 30.80 1eey n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1eey s ALA 49 N -0.35 0.19 0.24 7.54 0.00 -1.23 -4.69 121.76 123.47 1eey s ALA 49 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1eey s ALA 49 Cb 0.00 -0.08 0.41 0.00 0.00 0.00 0.00 23.12 23.45 1eey s ALA 49 CO 0.00 0.03 1.79 -1.35 0.00 0.00 0.00 175.76 176.23 1eey h PRO 50 N 6.23 0.66 0.00 0.00 0.11 -1.94 -2.24 132.00 134.82 1eey h PRO 50 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1eey h PRO 50 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1eey h PRO 50 CO 0.50 0.44 0.00 -2.67 -0.21 0.00 0.00 178.00 176.06 1eey n TRP 51 N -4.82 0.00 0.53 0.65 4.27 -1.26 -1.92 117.44 114.89 1eey n TRP 51 Ca 0.13 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.85 1eey n TRP 51 Cb 0.31 -0.48 -0.14 0.00 -1.36 0.00 0.00 31.31 29.64 1eey n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1eey n ILE 52 N -1.48 0.00 0.31 -1.67 0.13 -0.85 -4.29 119.36 111.51 1eey n ILE 52 Ca 0.02 -0.23 0.19 0.00 -1.10 0.00 0.00 62.75 61.63 1eey n ILE 52 Cb 0.09 0.54 0.97 0.00 -0.84 0.00 0.00 39.64 40.40 1eey n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1eey h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.40 -2.48 114.58 125.29 1eey h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1eey h GLU 53 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1eey h GLU 53 CO 0.00 0.03 0.00 1.96 -1.00 0.00 0.00 179.01 180.00 1eey h GLN 54 N 0.00 0.00 -6.96 2.33 7.50 -1.75 -3.44 115.11 112.79 1eey h GLN 54 Ca -0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 1eey h GLN 54 Cb 0.18 0.00 0.11 0.00 0.05 0.00 0.00 27.48 27.82 1eey h GLN 54 CO 0.00 0.00 0.74 -1.21 -1.50 0.00 0.00 178.83 176.86 1eey s GLU 55 N -3.37 3.94 0.80 1.46 0.41 -0.94 -4.99 118.70 116.02 1eey s GLU 55 Ca 0.05 2.49 -0.14 0.00 -0.41 0.00 0.00 54.97 56.97 1eey s GLU 55 Cb 0.09 -2.84 0.19 0.00 -1.78 0.00 0.00 34.13 29.79 1eey s GLU 55 CO 0.53 -0.64 0.99 0.41 -0.49 0.00 0.00 175.26 176.06 1eey n GLY 56 N 0.52 -1.72 0.28 -1.39 0.00 -1.26 -4.86 105.19 96.75 1eey n GLY 56 Ca 0.03 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.52 1eey n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1eey h PRO 57 N 0.00 0.00 -0.84 1.61 0.13 -1.98 -1.92 132.00 129.00 1eey h PRO 57 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1eey h PRO 57 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1eey h PRO 57 CO 0.23 0.04 0.48 1.49 -0.23 0.00 0.00 178.00 180.01 1eey h GLU 58 N 0.00 1.16 -0.06 0.86 4.22 -1.99 0.21 114.58 118.98 1eey h GLU 58 Ca -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.30 1eey h GLU 58 Cb 0.09 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1eey h GLU 58 CO 0.01 0.83 -0.04 -0.92 -2.18 0.00 0.00 179.01 176.71 1eey h TYR 59 N 1.17 0.16 -0.43 0.92 5.03 -1.69 -1.83 116.97 120.30 1eey h TYR 59 Ca 0.30 -0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.45 1eey h TYR 59 Cb -0.00 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1eey h TYR 59 CO 0.01 0.55 -0.20 -1.49 -1.32 0.00 0.00 178.16 175.70 1eey h TRP 60 N -0.27 0.95 -0.40 -3.82 4.06 -1.38 -0.16 115.95 114.94 1eey h TRP 60 Ca 0.01 -0.21 -0.05 0.00 2.06 0.00 0.00 58.89 60.70 1eey h TRP 60 Cb 0.51 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1eey h TRP 60 CO 0.08 0.97 0.05 -0.44 -3.56 0.00 0.00 178.44 175.53 1eey h ASP 61 N 0.74 0.65 0.04 -3.49 5.19 -0.63 -1.33 116.42 117.57 1eey h ASP 61 Ca 0.10 -0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1eey h ASP 61 Cb 0.73 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1eey h ASP 61 CO 0.06 0.76 -0.02 1.23 -3.12 0.00 0.00 179.24 178.15 1eey h GLY 62 N 0.51 -0.05 2.00 2.75 0.00 -1.16 -2.07 103.07 105.04 1eey h GLY 62 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1eey h GLY 62 CO 0.01 -0.02 -0.27 0.83 0.00 0.00 0.00 176.54 177.10 1eey h GLU 63 N -0.26 0.00 -0.27 4.80 4.39 -1.04 -1.09 114.58 121.11 1eey h GLU 63 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1eey h GLU 63 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1eey h GLU 63 CO 0.01 0.27 -0.16 1.15 -1.16 0.00 0.00 179.01 179.12 1eey h THR 64 N 0.00 1.30 -0.19 1.13 2.02 -1.14 -0.98 112.91 115.05 1eey h THR 64 Ca -0.00 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1eey h THR 64 Cb 0.56 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1eey h THR 64 CO 0.03 0.40 0.09 -0.09 0.37 0.00 0.00 175.52 176.32 1eey h ARG 65 N 0.32 0.27 -0.23 6.66 2.43 -0.87 -2.08 114.38 120.88 1eey h ARG 65 Ca 0.06 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1eey h ARG 65 Cb 0.68 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1eey h ARG 65 CO 0.05 0.31 -0.36 0.87 -1.51 0.00 0.00 179.97 179.33 1eey h LYS 66 N 0.17 0.50 0.00 0.20 1.57 -1.20 -2.34 116.57 115.47 1eey h LYS 66 Ca 0.06 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1eey h LYS 66 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1eey h LYS 66 CO -0.01 0.79 -0.49 -0.24 -0.57 0.00 0.00 179.45 178.93 1eey h VAL 67 N 0.42 1.32 -0.11 0.50 3.04 -1.09 -1.69 116.25 118.64 1eey h VAL 67 Ca 0.05 -1.70 -0.14 0.00 -1.01 0.00 0.00 66.70 63.89 1eey h VAL 67 Cb 0.82 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 1eey h VAL 67 CO 0.07 0.48 -0.53 0.11 -1.01 0.00 0.00 177.57 176.69 1eey h LYS 68 N 0.00 0.33 -0.56 4.17 1.57 -1.16 -1.25 116.57 119.67 1eey h LYS 68 Ca -0.00 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1eey h LYS 68 Cb 0.89 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1eey h LYS 68 CO 0.06 0.78 0.02 0.00 -0.57 0.00 0.00 179.45 179.74 1eey h ALA 69 N 1.18 0.97 -0.38 3.86 0.00 -0.83 -1.39 119.26 122.66 1eey h ALA 69 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1eey h ALA 69 Cb 1.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1eey h ALA 69 CO 0.09 0.63 0.15 0.45 0.00 0.00 0.00 179.25 180.57 1eey h HIS 70 N 0.88 0.58 -0.57 0.00 3.86 -1.03 -1.88 115.15 116.98 1eey h HIS 70 Ca 0.17 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1eey h HIS 70 Cb 0.49 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 1eey h HIS 70 CO 0.03 0.52 0.24 1.03 0.86 0.00 0.00 177.93 180.62 1eey h SER 71 N 0.47 0.29 -0.37 2.45 0.87 -0.69 -1.38 113.55 115.19 1eey h SER 71 Ca 0.13 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1eey h SER 71 Cb 0.19 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1eey h SER 71 CO -0.01 0.19 -0.13 -0.61 -0.53 0.00 0.00 176.83 175.74 1eey h GLN 72 N 0.45 0.83 -0.46 2.24 5.75 -1.03 -1.96 115.11 120.93 1eey h GLN 72 Ca 0.28 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1eey h GLN 72 Cb 0.28 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1eey h GLN 72 CO -0.25 0.91 0.29 1.15 -2.65 0.00 0.00 178.83 178.29 1eey h THR 73 N 0.74 1.13 0.00 2.39 2.02 -0.51 -1.83 112.91 116.85 1eey h THR 73 Ca 0.12 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1eey h THR 73 Cb 0.63 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1eey h THR 73 CO 0.04 0.13 0.00 0.45 0.37 0.00 0.00 175.52 176.52 1eey h HIS 74 N 0.62 0.00 0.03 3.16 3.86 -1.09 0.40 115.15 122.13 1eey h HIS 74 Ca 0.17 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.17 1eey h HIS 74 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1eey h HIS 74 CO -0.04 0.00 -0.96 -0.09 0.86 0.00 0.00 177.93 177.70 1eey h ARG 75 N 0.00 0.16 0.05 2.45 2.43 -0.73 -2.38 114.38 116.35 1eey h ARG 75 Ca 0.00 -0.21 -0.27 0.00 -0.81 0.00 0.00 59.98 58.69 1eey h ARG 75 Cb 0.57 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1eey h ARG 75 CO 0.00 1.00 -1.10 0.28 -1.51 0.00 0.00 179.97 178.64 1eey h VAL 76 N 0.07 1.32 -0.66 0.20 2.07 -0.82 -3.29 116.25 115.15 1eey h VAL 76 Ca -0.05 -2.40 0.03 0.00 0.82 0.00 0.00 66.70 65.10 1eey h VAL 76 Cb 1.64 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.88 1eey h VAL 76 CO 0.14 0.73 0.40 0.44 0.02 0.00 0.00 177.57 179.31 1eey h ASP 77 N 0.31 0.65 -0.64 0.57 3.32 -0.89 -1.95 116.42 117.79 1eey h ASP 77 Ca -0.14 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.02 1eey h ASP 77 Cb 1.76 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 41.10 1eey h ASP 77 CO 0.21 0.45 0.25 -0.07 -1.72 0.00 0.00 179.24 178.36 1eey h LEU 78 N 0.78 0.25 -0.45 1.55 3.38 -1.49 -0.15 115.31 119.18 1eey h LEU 78 Ca 0.27 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.18 1eey h LEU 78 Cb 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1eey h LEU 78 CO -0.12 0.14 -0.28 1.23 0.09 0.00 0.00 178.44 179.50 1eey h GLY 79 N 0.43 1.07 0.95 0.83 0.00 -1.57 -2.11 103.07 102.67 1eey h GLY 79 Ca 0.33 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1eey h GLY 79 CO -0.32 0.91 -0.24 -0.84 0.00 0.00 0.00 176.54 176.05 1eey h THR 80 N 0.83 0.51 -0.98 4.70 2.02 -0.60 -1.92 112.91 117.47 1eey h THR 80 Ca 0.09 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.26 1eey h THR 80 Cb 0.87 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 1eey h THR 80 CO 0.08 0.02 0.63 -0.07 0.37 0.00 0.00 175.52 176.54 1eey h LEU 81 N -0.72 0.95 -1.13 2.58 3.38 -1.10 0.24 115.31 119.52 1eey h LEU 81 Ca -0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1eey h LEU 81 Cb 0.54 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1eey h LEU 81 CO 0.11 0.57 0.59 -0.09 0.09 0.00 0.00 178.44 179.72 1eey h ARG 82 N 1.06 1.03 -0.12 1.13 1.12 -1.14 -1.91 114.38 115.56 1eey h ARG 82 Ca 0.44 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 59.14 1eey h ARG 82 Cb 0.31 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1eey h ARG 82 CO -0.20 0.68 -0.35 0.78 -3.11 0.00 0.00 179.97 177.77 1eey h GLY 83 N 1.06 0.49 0.52 2.80 0.00 0.14 -0.92 103.07 107.16 1eey h GLY 83 Ca 0.39 -0.63 0.11 0.00 0.00 0.00 0.00 47.33 47.20 1eey h GLY 83 CO -0.14 0.56 0.63 -0.97 0.00 0.00 0.00 176.54 176.62 1eey h TYR 84 N 0.03 1.15 -0.54 5.60 0.05 -0.17 -2.03 116.97 121.06 1eey h TYR 84 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1eey h TYR 84 Cb 0.97 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1eey h TYR 84 CO 0.11 0.48 0.00 0.66 -1.05 0.00 0.00 178.16 178.36 1eey n TYR 85 N -4.60 1.52 -3.86 4.88 4.01 -0.77 -4.93 117.16 113.41 1eey n TYR 85 Ca 0.18 -0.68 -0.29 0.00 -0.16 0.00 0.00 57.90 56.95 1eey n TYR 85 Cb 0.32 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1eey n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1eey n ASN 86 N 0.67 -4.69 -4.68 7.72 4.13 -0.76 -4.96 115.26 112.69 1eey n ASN 86 Ca 0.25 -1.04 -0.26 0.00 1.68 0.00 0.00 54.58 55.21 1eey n ASN 86 Cb 0.96 -1.64 -0.07 0.00 -1.54 0.00 0.00 39.78 37.49 1eey n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1eey s GLN 87 N -5.45 2.44 0.44 3.52 -0.21 -0.39 -5.05 119.66 114.96 1eey s GLN 87 Ca 0.10 -1.14 -0.25 0.00 0.02 0.00 0.00 55.36 54.08 1eey s GLN 87 Cb -0.05 -2.35 -0.08 0.00 1.00 0.00 0.00 33.01 31.52 1eey s GLN 87 CO 0.91 0.44 1.40 0.45 -2.12 0.00 0.00 175.29 176.37 1eey s SER 88 N -3.12 5.96 0.00 5.90 0.15 -1.26 -4.86 113.70 116.46 1eey s SER 88 Ca 0.29 2.86 0.03 0.00 0.70 0.00 0.00 55.95 59.83 1eey s SER 88 Cb -0.09 -2.65 0.13 0.00 -1.71 0.00 0.00 66.02 61.70 1eey s SER 88 CO 0.19 -1.11 1.09 1.21 1.20 0.00 0.00 173.24 175.82 1eey n GLU 89 N -0.14 1.13 -0.07 5.44 2.13 -1.26 -3.46 120.64 124.41 1eey n GLU 89 Ca 0.05 -0.20 -0.03 0.00 0.66 0.00 0.00 57.16 57.63 1eey n GLU 89 Cb 0.42 -1.06 -0.16 0.00 0.27 0.00 0.00 31.44 30.91 1eey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1eey n ALA 90 N -0.36 1.90 -1.86 4.31 0.00 -1.26 -4.80 120.51 118.44 1eey n ALA 90 Ca 0.03 -1.07 -0.32 0.00 0.00 0.00 0.00 53.44 52.08 1eey n ALA 90 Cb 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1eey n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1eey s GLY 91 N -5.18 2.03 0.03 0.00 0.00 -1.22 -4.62 107.32 98.36 1eey s GLY 91 Ca -0.09 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.58 1eey s GLY 91 CO 0.85 0.42 0.55 -0.45 0.00 0.00 0.00 173.10 174.48 1eey s SER 92 N -3.15 6.98 0.15 1.64 0.15 -1.26 -4.72 113.70 113.49 1eey s SER 92 Ca 0.58 1.17 0.04 0.00 0.70 0.00 0.00 55.95 58.44 1eey s SER 92 Cb -0.10 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1eey s SER 92 CO 0.33 0.21 -0.09 -1.00 1.20 0.00 0.00 173.24 173.89 1eey s HIS 93 N -0.70 1.26 -0.05 3.44 3.76 -1.26 -4.96 115.29 116.78 1eey s HIS 93 Ca 0.29 -0.79 0.04 0.00 -0.15 0.00 0.00 55.06 54.45 1eey s HIS 93 Cb -0.18 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1eey s HIS 93 CO 0.17 0.05 -0.16 0.99 -0.85 0.00 0.00 174.74 174.95 1eey s THR 94 N -3.36 1.35 -0.02 1.30 2.01 -1.26 -1.79 115.64 113.87 1eey s THR 94 Ca 0.17 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1eey s THR 94 Cb 0.03 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 1eey s THR 94 CO 0.01 0.39 -0.21 0.68 -0.69 0.00 0.00 174.62 174.81 1eey s VAL 95 N 0.17 1.64 0.04 3.82 -7.23 -0.49 0.12 120.40 118.47 1eey s VAL 95 Ca -0.06 -0.88 0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1eey s VAL 95 Cb -0.12 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 1eey s VAL 95 CO 0.03 0.46 -0.13 -1.10 -0.31 0.00 0.00 175.10 174.05 1eey s GLN 96 N -0.38 0.85 -0.00 4.82 -0.21 -0.53 -0.93 119.66 123.28 1eey s GLN 96 Ca 0.05 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1eey s GLN 96 Cb -0.09 -0.84 0.00 0.00 1.00 0.00 0.00 33.01 33.09 1eey s GLN 96 CO 0.00 0.20 -0.01 0.50 -2.12 0.00 0.00 175.29 173.86 1eey s ARG 97 N -1.25 0.10 -0.01 2.91 3.52 -0.19 -1.30 118.95 122.72 1eey s ARG 97 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1eey s ARG 97 Cb -0.08 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.19 1eey s ARG 97 CO 0.01 -0.00 0.01 1.41 -0.81 0.00 0.00 175.30 175.92 1eey s MET 98 N 0.15 0.03 0.01 5.12 1.75 -0.67 -0.60 119.30 125.09 1eey s MET 98 Ca -0.01 0.10 -0.15 0.00 -1.25 0.00 0.00 55.69 54.38 1eey s MET 98 Cb -0.03 -0.20 0.02 0.00 2.84 0.00 0.00 34.83 37.47 1eey s MET 98 CO -0.00 -0.10 0.33 1.52 -0.65 0.00 0.00 175.02 176.11 1eey s TYR 99 N 0.69 -0.17 -2.32 4.11 -0.85 -1.00 -0.54 117.35 117.28 1eey s TYR 99 Ca -0.06 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 1eey s TYR 99 Cb -0.09 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.37 1eey s TYR 99 CO -0.02 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 1eey n GLY 100 N 0.90 -1.49 3.08 5.49 0.00 -0.71 -1.19 105.19 111.27 1eey n GLY 100 Ca -0.20 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1eey n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eey s ASP 102 N -2.02 3.86 0.09 0.00 1.01 0.20 -1.96 116.67 117.85 1eey s ASP 102 Ca -0.04 -0.36 0.08 0.00 0.71 0.00 0.00 52.55 52.94 1eey s ASP 102 Cb -0.05 -0.68 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 1eey s ASP 102 CO -0.02 0.28 -0.20 0.68 0.21 0.00 0.00 175.17 176.13 1eey s VAL 103 N -0.87 1.61 0.05 -1.27 -7.23 -0.13 -0.05 120.40 112.52 1eey s VAL 103 Ca 0.14 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1eey s VAL 103 Cb -0.11 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.39 1eey s VAL 103 CO 0.04 -0.03 0.06 0.61 -0.31 0.00 0.00 175.10 175.47 1eey n GLY 104 N 1.28 -1.68 0.04 2.32 0.00 -0.19 -1.97 105.19 104.99 1eey n GLY 104 Ca -0.19 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.33 1eey n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1eey n SER 105 N -3.06 0.22 -1.40 1.61 3.41 -1.25 -0.99 113.62 112.16 1eey n SER 105 Ca 0.01 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1eey n SER 105 Cb 0.03 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 63.70 1eey n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1eey n ASP 106 N -1.74 4.09 -1.02 4.04 5.68 -1.26 -4.57 116.55 121.76 1eey n ASP 106 Ca 0.03 -2.20 -0.13 0.00 -0.50 0.00 0.00 54.79 51.98 1eey n ASP 106 Cb 0.16 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.58 1eey n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1eey n TRP 107 N 1.30 -0.03 -3.77 2.11 7.02 -0.16 -4.96 117.44 118.95 1eey n TRP 107 Ca 0.24 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.38 1eey n TRP 107 Cb 0.71 -2.88 -0.05 0.00 -2.42 0.00 0.00 31.31 26.67 1eey n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1eey s ARG 108 N -3.07 3.56 -0.33 -0.99 0.52 -1.26 -4.77 118.95 112.61 1eey s ARG 108 Ca 0.00 -0.15 -0.42 0.00 -0.52 0.00 0.00 55.73 54.64 1eey s ARG 108 Cb 0.00 -3.02 -0.17 0.00 0.52 0.00 0.00 34.95 32.28 1eey s ARG 108 CO 0.00 0.60 1.68 0.34 0.02 0.00 0.00 175.30 177.95 1eey n PHE 109 N 0.75 1.93 -0.11 -0.53 7.35 -1.26 -1.02 117.46 124.57 1eey n PHE 109 Ca -0.08 0.72 -0.22 0.00 -0.76 0.00 0.00 57.45 57.11 1eey n PHE 109 Cb 0.52 -2.39 -0.08 0.00 0.35 0.00 0.00 39.48 37.88 1eey n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1eey n LEU 110 N 4.85 1.88 -3.54 -2.13 7.94 0.93 -4.80 117.00 122.13 1eey n LEU 110 Ca 0.27 0.20 -0.08 0.00 -1.11 0.00 0.00 56.01 55.30 1eey n LEU 110 Cb 0.08 -0.68 -0.02 0.00 0.53 0.00 0.00 43.42 43.32 1eey n LEU 110 CO 0.83 0.55 0.71 0.00 -1.11 0.00 0.00 177.39 178.36 1eey s ARG 111 N -2.42 0.84 0.13 1.96 1.70 -1.09 -4.97 118.95 115.10 1eey s ARG 111 Ca -0.31 -0.33 0.09 0.00 -0.47 0.00 0.00 55.73 54.70 1eey s ARG 111 Cb 0.11 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1eey s ARG 111 CO 0.42 -0.37 -0.20 0.20 -1.08 0.00 0.00 175.30 174.26 1eey s GLY 112 N -2.53 1.35 0.04 3.88 0.00 -1.26 -0.63 107.32 108.16 1eey s GLY 112 Ca 0.06 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1eey s GLY 112 CO -0.08 -1.40 -0.07 -0.19 0.00 0.00 0.00 173.10 171.36 1eey s TYR 113 N -1.55 0.61 -0.33 1.90 1.51 0.29 -4.80 117.35 114.98 1eey s TYR 113 Ca 0.11 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1eey s TYR 113 Cb -0.08 -0.37 0.19 0.00 -0.11 0.00 0.00 41.96 41.59 1eey s TYR 113 CO 0.06 -0.10 0.65 -1.58 -1.11 0.00 0.00 175.55 173.47 1eey s HIS 114 N -1.41 -1.67 0.16 2.71 2.46 -1.25 -1.74 115.29 114.55 1eey s HIS 114 Ca -0.11 0.75 0.10 0.00 0.47 0.00 0.00 55.06 56.27 1eey s HIS 114 Cb -0.10 0.29 -0.04 0.00 -0.13 0.00 0.00 32.58 32.60 1eey s HIS 114 CO 0.00 -1.03 -0.16 -0.65 -2.47 0.00 0.00 174.74 170.43 1eey s GLN 115 N 2.52 1.81 0.01 2.88 -0.21 0.29 -1.05 119.66 125.91 1eey s GLN 115 Ca 0.13 -1.32 0.01 0.00 0.02 0.00 0.00 55.36 54.20 1eey s GLN 115 Cb -0.07 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.88 1eey s GLN 115 CO -0.20 0.44 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.92 1eey s TYR 116 N -1.52 0.22 0.02 0.91 6.14 0.69 -1.67 117.35 122.14 1eey s TYR 116 Ca 0.21 -0.16 0.00 0.00 0.64 0.00 0.00 57.07 57.77 1eey s TYR 116 Cb -0.09 -0.14 -0.02 0.00 0.42 0.00 0.00 41.96 42.13 1eey s TYR 116 CO 0.12 -0.04 -0.03 0.00 0.64 0.00 0.00 175.55 176.24 1eey s ALA 117 N -0.40 0.14 -0.15 3.97 0.00 -0.42 -1.15 121.76 123.75 1eey s ALA 117 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1eey s ALA 117 Cb -0.03 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1eey s ALA 117 CO -0.00 -0.11 -0.15 -0.47 0.00 0.00 0.00 175.76 175.02 1eey s TYR 118 N -1.14 2.23 -1.45 0.00 5.04 -0.51 -1.46 117.35 120.07 1eey s TYR 118 Ca -0.12 -1.23 -0.10 0.00 -2.44 0.00 0.00 57.07 53.18 1eey s TYR 118 Cb -0.08 -1.62 0.05 0.00 0.35 0.00 0.00 41.96 40.67 1eey s TYR 118 CO -0.01 -0.65 1.01 -0.25 -1.34 0.00 0.00 175.55 174.32 1eey n ASP 119 N 4.63 -4.75 0.00 4.32 8.00 0.32 -2.28 116.55 126.79 1eey n ASP 119 Ca -0.18 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1eey n ASP 119 Cb 0.50 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 1eey n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1eey n GLY 120 N -1.75 0.92 3.51 0.44 0.00 -1.26 -5.00 105.19 102.04 1eey n GLY 120 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1eey n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eey s LYS 121 N -0.03 2.58 0.22 1.61 1.02 -0.97 -5.08 119.74 119.10 1eey s LYS 121 Ca 0.00 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 55.04 1eey s LYS 121 Cb 0.00 -2.45 -0.15 0.00 -0.52 0.00 0.00 37.83 34.71 1eey s LYS 121 CO 0.00 0.64 1.06 -0.25 -0.92 0.00 0.00 175.35 175.87 1eey n ASP 122 N 2.28 1.13 0.05 2.83 9.92 -1.26 -1.43 116.55 130.06 1eey n ASP 122 Ca -0.17 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1eey n ASP 122 Cb 0.52 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1eey n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1eey n TYR 123 N 0.89 -0.04 -3.73 1.24 9.36 -0.30 -4.73 117.16 119.85 1eey n TYR 123 Ca 0.13 0.01 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 1eey n TYR 123 Cb 0.27 0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 38.90 1eey n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1eey s ILE 124 N -1.91 0.01 0.02 2.97 2.07 -1.06 -1.00 121.20 122.31 1eey s ILE 124 Ca 0.00 -0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.08 1eey s ILE 124 Cb 0.00 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 1eey s ILE 124 CO 0.00 -0.06 0.09 0.00 -1.91 0.00 0.00 174.94 173.06 1eey s ALA 125 N -0.19 -0.14 -0.07 1.50 0.00 -0.85 -0.23 121.76 121.78 1eey s ALA 125 Ca -0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1eey s ALA 125 Cb -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1eey s ALA 125 CO 0.02 -0.23 0.72 -1.17 0.00 0.00 0.00 175.76 175.10 1eey s LEU 126 N -1.65 4.31 0.84 0.00 2.96 -0.22 -0.85 118.68 124.08 1eey s LEU 126 Ca -0.12 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1eey s LEU 126 Cb -0.06 -3.12 0.10 0.00 0.50 0.00 0.00 46.19 43.61 1eey s LEU 126 CO -0.01 -0.14 1.09 -0.54 -1.32 0.00 0.00 176.35 175.43 1eey s LYS 127 N 0.88 1.72 0.61 1.98 1.02 0.03 -4.63 119.74 121.35 1eey s LYS 127 Ca 0.38 0.98 0.33 0.00 0.02 0.00 0.00 55.97 57.69 1eey s LYS 127 Cb -0.18 -1.85 1.96 0.00 -0.52 0.00 0.00 37.83 37.24 1eey s LYS 127 CO 0.18 -1.96 2.27 1.49 -0.92 0.00 0.00 175.35 176.41 1eey h GLU 128 N -1.35 0.00 0.00 1.68 4.81 -1.89 -0.11 114.58 117.72 1eey h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1eey h GLU 128 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1eey h GLU 128 CO 0.53 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 1eey n ASP 129 N -3.63 0.00 -2.36 1.04 5.68 -1.26 -4.78 116.55 111.24 1eey n ASP 129 Ca -0.03 -0.83 -0.11 0.00 -0.50 0.00 0.00 54.79 53.32 1eey n ASP 129 Cb 0.11 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 1eey n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1eey n LEU 130 N -0.99 -1.03 0.00 -2.12 4.77 -0.06 -4.72 117.00 112.85 1eey n LEU 130 Ca 0.19 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1eey n LEU 130 Cb 0.09 -2.02 0.00 0.00 -2.33 0.00 0.00 43.42 39.15 1eey n LEU 130 CO 0.15 -0.15 -0.08 0.54 -1.33 0.00 0.00 177.39 176.51 1eey n ARG 131 N -2.70 3.14 -4.31 3.23 1.74 -1.26 -4.59 116.66 111.91 1eey n ARG 131 Ca -0.13 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.79 1eey n ARG 131 Cb 0.58 -0.41 -0.10 0.00 -1.02 0.00 0.00 32.46 31.51 1eey n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1eey s SER 132 N -0.54 1.59 0.18 0.55 1.04 -1.26 -4.96 113.70 110.31 1eey s SER 132 Ca 0.00 -1.23 0.10 0.00 0.48 0.00 0.00 55.95 55.30 1eey s SER 132 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1eey s SER 132 CO 0.00 -0.56 -0.22 0.26 0.98 0.00 0.00 173.24 173.70 1eey s TRP 133 N -3.52 2.13 -0.34 5.02 0.52 -1.26 -0.79 118.94 120.70 1eey s TRP 133 Ca 0.29 -0.39 -0.05 0.00 0.02 0.00 0.00 56.10 55.96 1eey s TRP 133 Cb 0.06 -1.07 0.05 0.00 -1.15 0.00 0.00 33.47 31.36 1eey s TRP 133 CO 0.08 0.43 0.10 0.99 0.02 0.00 0.00 176.95 178.57 1eey s THR 134 N -1.74 3.62 -0.25 2.01 2.01 -0.03 -4.89 115.64 116.36 1eey s THR 134 Ca 0.18 -1.24 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 1eey s THR 134 Cb -0.07 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1eey s THR 134 CO 0.09 -0.20 0.25 0.00 -0.69 0.00 0.00 174.62 174.06 1eey s ALA 135 N 1.36 3.57 0.06 7.40 0.00 -1.26 -2.02 121.76 130.88 1eey s ALA 135 Ca -0.02 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 1eey s ALA 135 Cb -0.20 -2.50 -0.16 0.00 0.00 0.00 0.00 23.12 20.26 1eey s ALA 135 CO 0.02 -0.42 1.62 0.00 0.00 0.00 0.00 175.76 176.98 1eey h ALA 136 N 7.91 -0.11 -3.00 0.00 0.00 -1.36 -3.46 119.26 119.24 1eey h ALA 136 Ca -0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1eey h ALA 136 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1eey h ALA 136 CO 0.63 -0.51 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 1eey n ASP 137 N -5.09 0.23 -0.11 0.00 5.68 -1.26 -5.00 116.55 110.99 1eey n ASP 137 Ca -0.08 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.09 1eey n ASP 137 Cb 0.11 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 1eey n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1eey h MET 138 N 0.00 0.67 -0.79 0.11 1.85 -1.99 -1.66 114.93 113.12 1eey h MET 138 Ca 0.00 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 1eey h MET 138 Cb 0.00 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 31.97 1eey h MET 138 CO 0.00 0.88 0.51 0.00 -0.40 0.00 0.00 176.91 177.90 1eey h ALA 139 N 0.78 1.00 -0.23 0.39 0.00 -1.97 -1.96 119.26 117.28 1eey h ALA 139 Ca 0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1eey h ALA 139 Cb 0.67 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1eey h ALA 139 CO 0.04 0.43 -0.17 0.00 0.00 0.00 0.00 179.25 179.56 1eey h ALA 140 N 1.28 1.29 -0.20 0.00 0.00 -1.82 -2.39 119.26 117.42 1eey h ALA 140 Ca 0.29 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1eey h ALA 140 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1eey h ALA 140 CO -0.06 0.47 -0.23 1.96 0.00 0.00 0.00 179.25 181.39 1eey h GLN 141 N 0.36 0.37 -0.61 0.00 4.20 -0.56 0.13 115.11 119.00 1eey h GLN 141 Ca 0.06 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1eey h GLN 141 Cb 0.51 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1eey h GLN 141 CO 0.03 0.58 0.04 1.15 -0.67 0.00 0.00 178.83 179.96 1eey h THR 142 N 0.33 1.26 -0.12 -0.54 2.02 -0.92 -0.52 112.91 114.43 1eey h THR 142 Ca 0.05 -1.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.00 1eey h THR 142 Cb 0.59 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1eey h THR 142 CO 0.04 0.40 -0.55 0.74 0.37 0.00 0.00 175.52 176.52 1eey h THR 143 N 0.95 1.35 -0.24 3.16 2.02 -1.13 -2.58 112.91 116.44 1eey h THR 143 Ca 0.18 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1eey h THR 143 Cb 0.50 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1eey h THR 143 CO 0.02 0.56 0.11 0.50 0.37 0.00 0.00 175.52 177.08 1eey h LYS 144 N 0.27 0.36 -0.62 6.66 3.64 -0.16 -0.49 116.57 126.22 1eey h LYS 144 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1eey h LYS 144 Cb 1.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1eey h LYS 144 CO 0.09 0.37 0.31 0.45 -2.27 0.00 0.00 179.45 178.40 1eey h HIS 145 N 0.26 0.88 -0.25 1.91 3.86 -1.07 0.37 115.15 121.09 1eey h HIS 145 Ca 0.08 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1eey h HIS 145 Cb 0.14 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1eey h HIS 145 CO -0.02 0.66 0.15 -0.22 0.86 0.00 0.00 177.93 179.36 1eey h LYS 146 N 0.84 0.30 0.00 2.45 3.64 -1.24 -0.34 116.57 122.22 1eey h LYS 146 Ca 0.21 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1eey h LYS 146 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1eey h LYS 146 CO -0.03 0.20 -0.35 -1.49 -2.27 0.00 0.00 179.45 175.51 1eey h TRP 147 N 0.31 0.00 -0.11 1.91 4.06 -0.73 -1.69 115.95 119.70 1eey h TRP 147 Ca 0.10 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.00 1eey h TRP 147 Cb -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1eey h TRP 147 CO -0.07 0.35 -0.12 0.93 -3.56 0.00 0.00 178.44 175.96 1eey h GLU 148 N 0.00 0.28 -0.39 0.49 5.08 -0.46 -1.24 114.58 118.34 1eey h GLU 148 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1eey h GLU 148 Cb 0.64 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1eey h GLU 148 CO 0.05 0.70 0.25 0.00 -1.00 0.00 0.00 179.01 179.00 1eey h ALA 149 N 0.58 1.70 -0.33 3.43 0.00 -0.74 -1.11 119.26 122.79 1eey h ALA 149 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1eey h ALA 149 Cb 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1eey h ALA 149 CO 0.03 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1eey n ALA 150 N -2.48 2.46 -3.92 0.00 0.00 -0.67 -4.94 120.51 110.97 1eey n ALA 150 Ca 0.03 -0.68 -0.26 0.00 0.00 0.00 0.00 53.44 52.52 1eey n ALA 150 Cb 0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 1eey n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1eey n HIS 151 N 0.65 -1.79 -0.07 0.00 -0.00 -0.42 -4.88 115.22 108.72 1eey n HIS 151 Ca 0.15 0.79 -0.16 0.00 -0.00 0.00 0.00 57.72 58.51 1eey n HIS 151 Cb 0.36 -3.84 -0.05 0.00 -0.00 0.00 0.00 29.99 26.47 1eey n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1eey h VAL 152 N -1.83 1.27 -0.88 1.59 2.07 -1.49 -3.21 116.25 113.77 1eey h VAL 152 Ca -0.62 -1.79 0.07 0.00 0.82 0.00 0.00 66.70 65.19 1eey h VAL 152 Cb 1.37 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 1eey h VAL 152 CO 0.63 0.58 0.55 0.00 0.02 0.00 0.00 177.57 179.35 1eey h ALA 153 N 0.65 1.23 -0.69 1.67 0.00 -1.90 -0.91 119.26 119.31 1eey h ALA 153 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1eey h ALA 153 Cb 1.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1eey h ALA 153 CO 0.13 0.27 0.30 0.93 0.00 0.00 0.00 179.25 180.88 1eey h GLU 154 N 0.97 1.01 -0.19 0.00 3.07 -1.80 -1.02 114.58 116.61 1eey h GLU 154 Ca 0.39 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 1eey h GLU 154 Cb 0.22 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1eey h GLU 154 CO -0.19 0.82 -0.31 1.96 -1.40 0.00 0.00 179.01 179.88 1eey h GLN 155 N 0.97 0.38 -0.33 2.33 4.20 -1.41 -2.95 115.11 118.29 1eey h GLN 155 Ca 0.23 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 1eey h GLN 155 Cb 0.17 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1eey h GLN 155 CO -0.02 0.66 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.31 1eey h LEU 156 N 0.33 0.89 -0.81 1.46 3.38 -0.54 -2.75 115.31 117.28 1eey h LEU 156 Ca 0.04 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1eey h LEU 156 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1eey h LEU 156 CO 0.06 1.19 -0.38 0.08 0.09 0.00 0.00 178.44 179.48 1eey h ARG 157 N 0.67 0.45 -0.56 1.13 0.11 -1.12 0.58 114.38 115.64 1eey h ARG 157 Ca 0.05 -0.21 -0.03 0.00 0.10 0.00 0.00 59.98 59.89 1eey h ARG 157 Cb 0.99 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.04 1eey h ARG 157 CO 0.10 0.76 0.25 0.00 0.10 0.00 0.00 179.97 181.17 1eey h ALA 158 N 1.22 0.73 -0.10 0.08 0.00 -1.50 0.27 119.26 119.96 1eey h ALA 158 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1eey h ALA 158 Cb 0.83 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1eey h ALA 158 CO 0.07 0.32 -0.07 -0.92 0.00 0.00 0.00 179.25 178.65 1eey h TYR 159 N 0.77 0.27 -0.54 0.00 3.20 -1.24 -0.57 116.97 118.86 1eey h TYR 159 Ca 0.19 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1eey h TYR 159 Cb 0.16 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1eey h TYR 159 CO 0.00 0.61 0.12 -0.07 -1.64 0.00 0.00 178.16 177.18 1eey h LEU 160 N -0.15 0.77 0.00 2.82 3.38 -0.73 0.40 115.31 121.81 1eey h LEU 160 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1eey h LEU 160 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1eey h LEU 160 CO 0.02 0.77 -1.05 -0.62 0.09 0.00 0.00 178.44 177.65 1eey n GLU 161 N -4.27 0.55 0.00 1.13 1.02 0.94 -4.01 120.64 116.00 1eey n GLU 161 Ca 0.04 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1eey n GLU 161 Cb 0.23 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1eey n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1eey n GLY 162 N 1.22 0.20 0.35 0.62 0.00 -0.22 -4.63 105.19 102.73 1eey n GLY 162 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1eey n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1eey h THR 163 N 0.00 0.09 -0.15 2.61 2.02 -1.58 -0.16 112.91 115.74 1eey h THR 163 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1eey h THR 163 Cb 0.00 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.45 1eey h THR 163 CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.75 1eey h VAL 165 N -0.16 1.27 -0.22 0.00 2.07 -1.49 -1.95 116.25 115.78 1eey h VAL 165 Ca 0.10 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1eey h VAL 165 Cb 0.31 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1eey h VAL 165 CO -0.25 0.45 0.09 -0.33 0.02 0.00 0.00 177.57 177.56 1eey h GLU 166 N 0.63 0.32 0.00 1.57 5.08 -0.65 -2.16 114.58 119.37 1eey h GLU 166 Ca 0.08 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1eey h GLU 166 Cb 0.76 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1eey h GLU 166 CO 0.06 0.35 -0.67 -1.49 -1.00 0.00 0.00 179.01 176.27 1eey h TRP 167 N 0.21 0.00 0.12 4.33 4.06 -1.14 -2.08 115.95 121.44 1eey h TRP 167 Ca 0.07 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1eey h TRP 167 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1eey h TRP 167 CO -0.02 0.67 -0.06 1.25 -3.56 0.00 0.00 178.44 176.72 1eey h LEU 168 N 0.00 -0.13 -0.46 -4.49 5.85 -1.23 0.17 115.31 115.02 1eey h LEU 168 Ca -0.01 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1eey h LEU 168 Cb 1.21 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1eey h LEU 168 CO 0.09 -0.06 0.14 0.03 -0.34 0.00 0.00 178.44 178.30 1eey h ARG 169 N -0.20 0.29 -0.47 1.25 3.08 -1.30 0.29 114.38 117.32 1eey h ARG 169 Ca -0.02 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1eey h ARG 169 Cb 0.16 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1eey h ARG 169 CO 0.03 0.19 0.21 -0.09 -1.07 0.00 0.00 179.97 179.24 1eey h ARG 170 N 0.30 0.40 -0.55 0.04 2.43 -0.99 0.03 114.38 116.04 1eey h ARG 170 Ca 0.22 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1eey h ARG 170 Cb 0.24 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1eey h ARG 170 CO -0.24 0.26 0.28 1.88 -1.51 0.00 0.00 179.97 180.64 1eey h TYR 171 N 0.41 0.78 -0.87 2.20 0.05 0.58 0.12 116.97 120.24 1eey h TYR 171 Ca 0.22 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 59.00 1eey h TYR 171 Cb 0.17 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 1eey h TYR 171 CO -0.13 0.59 0.56 -0.07 -1.05 0.00 0.00 178.16 178.06 1eey h LEU 172 N 0.74 0.94 0.44 3.88 3.38 0.13 0.11 115.31 124.93 1eey h LEU 172 Ca 0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1eey h LEU 172 Cb 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1eey h LEU 172 CO -0.03 0.65 -0.21 -0.33 0.09 0.00 0.00 178.44 178.62 1eey h GLU 173 N 1.10 -0.57 -0.60 1.13 5.08 -0.52 -0.74 114.58 119.48 1eey h GLU 173 Ca 0.34 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 1eey h GLU 173 Cb -0.02 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1eey h GLU 173 CO -0.11 -0.27 0.40 -0.91 -1.00 0.00 0.00 179.01 177.13 1eey h ASN 174 N -0.99 0.31 -0.67 1.42 2.35 -0.65 -0.93 115.58 116.41 1eey h ASN 174 Ca -0.06 0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.40 1eey h ASN 174 Cb 0.56 -0.05 -0.18 0.00 0.05 0.00 0.00 38.32 38.70 1eey h ASN 174 CO 0.10 0.18 0.28 0.61 -1.65 0.00 0.00 177.43 176.95 1eey n GLY 175 N -1.54 4.41 0.36 2.83 0.00 0.35 -4.78 105.19 106.83 1eey n GLY 175 Ca 0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 1eey n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eey n LYS 176 N -0.87 -0.27 -0.33 1.61 5.02 -0.29 -0.84 118.16 122.19 1eey n LYS 176 Ca 0.44 1.38 0.11 0.00 -2.02 0.00 0.00 58.31 58.22 1eey n LYS 176 Cb 1.34 -2.04 0.32 0.00 -0.02 0.00 0.00 35.03 34.64 1eey n LYS 176 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1eey h GLU 177 N 0.00 0.77 0.00 1.97 9.09 -1.86 -0.83 114.58 123.73 1eey h GLU 177 Ca 0.26 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.62 1eey h GLU 177 Cb 0.49 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1eey h GLU 177 CO -0.88 0.51 0.00 2.41 0.05 0.00 0.00 179.01 181.10 1eey n THR 178 N -4.64 0.00 -0.29 -1.06 -1.04 -0.02 -4.25 114.28 102.98 1eey n THR 178 Ca 0.20 0.42 0.09 0.00 -2.04 0.00 0.00 64.05 62.72 1eey n THR 178 Cb 0.48 -1.34 0.32 0.00 -1.82 0.00 0.00 70.33 67.97 1eey n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1eey h LEU 179 N 0.00 0.77 -2.25 -4.42 3.38 -1.22 -2.59 115.31 108.99 1eey h LEU 179 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1eey h LEU 179 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1eey h LEU 179 CO 0.00 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1eey n GLN 180 N -4.55 2.94 -3.59 1.13 6.02 -0.32 -4.91 117.38 114.09 1eey n GLN 180 Ca 0.16 -1.75 -0.25 0.00 -0.01 0.00 0.00 57.00 55.14 1eey n GLN 180 Cb 0.36 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1eey n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1eey s ARG 181 N -1.87 3.51 -0.32 -1.09 1.70 -0.98 -4.97 118.95 114.93 1eey s ARG 181 Ca 0.31 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 55.20 1eey s ARG 181 Cb 0.22 -2.77 0.10 0.00 -0.57 0.00 0.00 34.95 31.93 1eey s ARG 181 CO 0.12 0.30 0.12 0.95 -1.08 0.00 0.00 175.30 175.71 1eey s THR 182 N -2.05 0.75 -0.36 4.99 -4.23 -1.26 -4.73 115.64 108.75 1eey s THR 182 Ca 0.39 -1.42 -0.25 0.00 -1.18 0.00 0.00 61.69 59.22 1eey s THR 182 Cb -0.10 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1eey s THR 182 CO 0.31 -0.72 0.90 -1.81 -0.54 0.00 0.00 174.62 172.76 1eey s ASP 183 N 1.55 6.67 0.42 3.99 1.01 -0.33 -4.62 116.67 125.36 1eey s ASP 183 Ca 0.11 0.57 -0.24 0.00 0.71 0.00 0.00 52.55 53.70 1eey s ASP 183 Cb -0.18 -2.45 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 1eey s ASP 183 CO -0.24 -0.82 1.15 0.00 0.21 0.00 0.00 175.17 175.48 1eey s ALA 184 N 3.38 3.09 0.21 5.23 0.00 -1.25 -2.00 121.76 130.40 1eey s ALA 184 Ca 0.37 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1eey s ALA 184 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1eey s ALA 184 CO 0.18 -0.53 1.22 -1.25 0.00 0.00 0.00 175.76 175.37 1eey s PRO 185 N -2.45 4.48 -0.18 0.00 0.04 -1.26 -4.50 135.00 131.13 1eey s PRO 185 Ca 0.59 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 63.31 1eey s PRO 185 Cb -0.29 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1eey s PRO 185 CO 0.36 -0.10 0.80 0.15 0.04 0.00 0.00 177.00 178.25 1eey s LYS 186 N -0.42 4.28 0.20 4.56 3.01 0.15 -4.79 119.74 126.73 1eey s LYS 186 Ca 0.53 0.95 0.11 0.00 -1.01 0.00 0.00 55.97 56.55 1eey s LYS 186 Cb -0.34 -3.58 -0.04 0.00 -1.01 0.00 0.00 37.83 32.86 1eey s LYS 186 CO 0.38 -0.32 -0.23 0.95 0.51 0.00 0.00 175.35 176.65 1eey s THR 187 N 2.13 2.32 0.24 2.17 -4.23 -1.26 0.03 115.64 117.05 1eey s THR 187 Ca 0.37 -2.08 -0.22 0.00 -1.18 0.00 0.00 61.69 58.58 1eey s THR 187 Cb -0.16 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1eey s THR 187 CO 0.12 -0.18 0.84 -1.38 -0.54 0.00 0.00 174.62 173.48 1eey s HIS 188 N -1.83 -0.10 0.04 3.99 -3.43 -1.05 -5.00 115.29 107.91 1eey s HIS 188 Ca 0.22 -0.34 0.05 0.00 -0.80 0.00 0.00 55.06 54.19 1eey s HIS 188 Cb -0.07 0.71 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 1eey s HIS 188 CO 0.10 -1.12 -0.13 1.41 -2.00 0.00 0.00 174.74 173.00 1eey s MET 189 N -3.31 0.88 0.25 -0.38 1.75 -1.26 -0.23 119.30 117.00 1eey s MET 189 Ca 0.13 -0.75 0.11 0.00 -1.25 0.00 0.00 55.69 53.93 1eey s MET 189 Cb -0.04 -0.87 -0.05 0.00 2.84 0.00 0.00 34.83 36.71 1eey s MET 189 CO 0.06 0.21 -0.19 0.95 -0.65 0.00 0.00 175.02 175.40 1eey s THR 190 N -0.89 2.56 -0.04 10.11 -4.23 -0.17 -4.98 115.64 118.00 1eey s THR 190 Ca 0.01 -2.22 -0.01 0.00 -1.18 0.00 0.00 61.69 58.29 1eey s THR 190 Cb -0.08 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1eey s THR 190 CO 0.01 -0.30 0.04 -2.28 -0.54 0.00 0.00 174.62 171.56 1eey s HIS 191 N -2.20 0.12 -0.05 3.99 2.46 -1.26 -2.19 115.29 116.16 1eey s HIS 191 Ca 0.27 0.17 -0.01 0.00 0.47 0.00 0.00 55.06 55.97 1eey s HIS 191 Cb -0.06 -0.44 0.03 0.00 -0.13 0.00 0.00 32.58 31.98 1eey s HIS 191 CO 0.14 -0.17 -0.00 -1.01 -2.47 0.00 0.00 174.74 171.23 1eey s HIS 192 N 1.79 0.51 -0.73 3.88 3.76 -1.05 -4.99 115.29 118.46 1eey s HIS 192 Ca 0.00 -0.08 -0.26 0.00 -0.15 0.00 0.00 55.06 54.57 1eey s HIS 192 Cb -0.12 -0.63 0.04 0.00 1.11 0.00 0.00 32.58 32.97 1eey s HIS 192 CO -0.03 -0.23 1.23 0.00 -0.85 0.00 0.00 174.74 174.86 1eey s ALA 193 N 1.54 2.81 0.19 -1.40 0.00 -1.26 -0.96 121.76 122.68 1eey s ALA 193 Ca -0.02 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 1eey s ALA 193 Cb -0.13 -4.20 0.11 0.00 0.00 0.00 0.00 23.12 18.90 1eey s ALA 193 CO -0.03 -3.20 1.73 -0.39 0.00 0.00 0.00 175.76 173.87 1eey h VAL 194 N 6.02 1.25 -3.37 0.00 -1.51 -1.60 -3.47 116.25 113.59 1eey h VAL 194 Ca -0.28 -0.85 -0.22 0.00 -1.23 0.00 0.00 66.70 64.11 1eey h VAL 194 Cb 1.05 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 30.66 1eey h VAL 194 CO 1.26 0.33 -0.20 -1.54 -1.23 0.00 0.00 177.57 176.20 1eey n SER 195 N -4.33 -0.44 -0.16 4.19 3.41 -0.97 -5.01 113.62 110.32 1eey n SER 195 Ca 0.05 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1eey n SER 195 Cb 0.21 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 1eey n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1eey n ASP 196 N -2.22 0.32 -0.14 4.04 5.75 -1.26 -3.49 116.55 119.55 1eey n ASP 196 Ca 0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1eey n ASP 196 Cb 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1eey n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1eey n HIS 197 N -0.34 0.00 -3.74 2.11 1.44 -1.26 -4.97 115.22 108.46 1eey n HIS 197 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.59 1eey n HIS 197 Cb 0.08 0.10 -0.11 0.00 0.12 0.00 0.00 29.99 30.18 1eey n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1eey s GLU 198 N 0.00 0.40 0.03 -1.40 2.02 -1.23 -2.26 118.70 116.26 1eey s GLU 198 Ca 0.00 0.55 0.03 0.00 0.02 0.00 0.00 54.97 55.57 1eey s GLU 198 Cb 0.00 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 1eey s GLU 198 CO 0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 175.26 175.10 1eey s ALA 199 N 0.47 0.81 -0.24 5.21 0.00 0.14 -1.43 121.76 126.72 1eey s ALA 199 Ca -0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1eey s ALA 199 Cb -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1eey s ALA 199 CO -0.02 0.11 0.20 0.95 0.00 0.00 0.00 175.76 177.00 1eey s THR 200 N -0.87 5.33 -0.24 0.00 -4.23 -0.13 0.89 115.64 116.39 1eey s THR 200 Ca -0.02 0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 1eey s THR 200 Cb -0.07 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1eey s THR 200 CO 0.01 0.33 0.11 -0.22 -0.54 0.00 0.00 174.62 174.30 1eey s LEU 201 N 1.13 3.77 -0.15 4.79 2.96 0.93 -2.53 118.68 129.59 1eey s LEU 201 Ca 0.09 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1eey s LEU 201 Cb -0.14 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1eey s LEU 201 CO 0.05 0.03 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.32 1eey s ARG 202 N 1.27 3.11 -0.31 1.98 3.52 -0.93 -1.07 118.95 126.52 1eey s ARG 202 Ca 0.06 -0.80 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 1eey s ARG 202 Cb -0.14 -2.53 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 1eey s ARG 202 CO 0.05 -0.00 0.20 0.00 -0.81 0.00 0.00 175.30 174.73 1eey s TRP 204 N 1.70 3.60 -0.18 0.00 0.52 0.68 -1.83 118.94 123.44 1eey s TRP 204 Ca 0.06 0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.75 1eey s TRP 204 Cb -0.17 -1.99 0.04 0.00 -1.15 0.00 0.00 33.47 30.20 1eey s TRP 204 CO 0.09 0.70 -0.09 0.00 0.02 0.00 0.00 176.95 177.68 1eey s ALA 205 N -0.95 1.77 0.10 0.98 0.00 -0.43 -2.53 121.76 120.71 1eey s ALA 205 Ca 0.16 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1eey s ALA 205 Cb -0.12 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1eey s ALA 205 CO 0.05 -0.75 -0.15 -0.51 0.00 0.00 0.00 175.76 174.40 1eey s LEU 206 N 1.50 2.35 -1.41 0.00 1.43 0.10 -1.89 118.68 120.76 1eey s LEU 206 Ca 0.00 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 1eey s LEU 206 Cb -0.15 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.53 1eey s LEU 206 CO -0.08 -0.10 1.03 -1.20 0.23 0.00 0.00 176.35 176.22 1eey n SER 207 N 0.82 -4.73 -4.68 2.29 7.64 -0.95 0.32 113.62 114.34 1eey n SER 207 Ca -0.18 -0.68 -0.27 0.00 1.01 0.00 0.00 58.87 58.75 1eey n SER 207 Cb 0.56 -4.45 -0.08 0.00 -1.01 0.00 0.00 64.21 59.23 1eey n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1eey s PHE 208 N -3.36 2.90 -0.14 1.43 -0.12 -1.17 -4.65 117.98 112.86 1eey s PHE 208 Ca 0.50 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.16 1eey s PHE 208 Cb -0.24 -1.42 0.04 0.00 -0.63 0.00 0.00 43.02 40.77 1eey s PHE 208 CO 0.78 0.51 0.37 -0.47 -0.05 0.00 0.00 175.22 176.36 1eey s TYR 209 N -1.65 -0.45 0.94 3.49 5.04 -0.85 -1.30 117.35 122.57 1eey s TYR 209 Ca 0.27 1.05 -0.15 0.00 -2.44 0.00 0.00 57.07 55.81 1eey s TYR 209 Cb -0.10 0.17 0.17 0.00 0.35 0.00 0.00 41.96 42.54 1eey s TYR 209 CO 0.19 -0.24 1.23 -1.25 -1.34 0.00 0.00 175.55 174.14 1eey s PRO 210 N 0.64 0.88 0.47 4.97 0.04 -1.26 -1.18 135.00 139.55 1eey s PRO 210 Ca -0.04 -0.13 0.15 0.00 0.04 0.00 0.00 61.00 61.03 1eey s PRO 210 Cb -0.05 -1.85 1.13 0.00 0.04 0.00 0.00 34.50 33.77 1eey s PRO 210 CO -0.04 -2.30 2.04 0.00 0.04 0.00 0.00 177.00 176.74 1eey h ALA 211 N -1.56 2.05 -2.32 8.56 0.00 -1.96 -3.43 119.26 120.59 1eey h ALA 211 Ca -0.46 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 1eey h ALA 211 Cb 1.28 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.05 1eey h ALA 211 CO 0.49 -0.13 1.08 -1.91 0.00 0.00 0.00 179.25 178.78 1eey n GLU 212 N -4.47 2.56 -3.51 0.00 4.07 -1.26 -4.97 120.64 113.06 1eey n GLU 212 Ca 0.05 0.93 -0.16 0.00 -0.06 0.00 0.00 57.16 57.93 1eey n GLU 212 Cb 0.29 -2.81 -0.05 0.00 -0.06 0.00 0.00 31.44 28.81 1eey n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1eey s ILE 213 N 3.07 0.00 -0.17 6.31 2.07 -1.26 -4.65 121.20 126.58 1eey s ILE 213 Ca 0.85 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 1eey s ILE 213 Cb -0.55 -0.98 0.03 0.00 0.13 0.00 0.00 42.46 41.08 1eey s ILE 213 CO 0.42 -0.02 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.39 1eey s THR 214 N -1.84 1.70 -0.26 4.00 2.01 -0.36 -4.99 115.64 115.91 1eey s THR 214 Ca -0.08 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1eey s THR 214 Cb -0.00 -1.62 0.07 0.00 0.01 0.00 0.00 72.50 70.95 1eey s THR 214 CO 0.04 0.41 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.13 1eey s LEU 215 N 1.42 2.94 0.14 4.42 2.96 -1.26 -0.31 118.68 128.99 1eey s LEU 215 Ca 0.03 -1.37 0.05 0.00 -0.22 0.00 0.00 54.13 52.62 1eey s LEU 215 Cb -0.14 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1eey s LEU 215 CO -0.11 -0.26 -0.11 0.42 -1.32 0.00 0.00 176.35 174.97 1eey s THR 216 N 1.31 1.19 0.10 3.68 -4.23 -0.48 -4.87 115.64 112.34 1eey s THR 216 Ca -0.03 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 1eey s THR 216 Cb -0.19 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1eey s THR 216 CO -0.08 -0.65 -0.02 0.26 -0.54 0.00 0.00 174.62 173.59 1eey s TRP 217 N -2.95 2.93 0.03 3.99 0.52 -1.26 -0.27 118.94 121.92 1eey s TRP 217 Ca 0.14 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.21 1eey s TRP 217 Cb 0.00 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1eey s TRP 217 CO 0.01 0.47 -0.06 -0.65 0.02 0.00 0.00 176.95 176.74 1eey s GLN 218 N -2.36 0.46 -0.14 4.98 -0.21 0.38 -1.55 119.66 121.22 1eey s GLN 218 Ca 0.25 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1eey s GLN 218 Cb -0.11 -0.20 0.02 0.00 1.00 0.00 0.00 33.01 33.72 1eey s GLN 218 CO 0.17 0.03 -0.13 0.50 -2.12 0.00 0.00 175.29 173.75 1eey s ARG 219 N -1.40 2.12 -1.28 2.91 3.52 -0.14 -0.78 118.95 123.90 1eey s ARG 219 Ca -0.10 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 54.95 1eey s ARG 219 Cb -0.09 -1.98 0.04 0.00 -1.56 0.00 0.00 34.95 31.36 1eey s ARG 219 CO 0.00 -0.24 0.39 -0.25 -0.81 0.00 0.00 175.30 174.40 1eey n ASP 220 N 4.79 -4.22 0.00 -2.12 8.00 -0.59 0.41 116.55 122.82 1eey n ASP 220 Ca -0.16 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1eey n ASP 220 Cb 0.50 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1eey n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1eey n GLY 221 N -1.15 0.78 3.61 0.44 0.00 -1.26 -5.01 105.19 102.60 1eey n GLY 221 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1eey n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1eey s GLU 222 N -0.07 4.03 0.28 1.61 0.41 0.17 -5.01 118.70 120.11 1eey s GLU 222 Ca 0.00 -0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.26 1eey s GLU 222 Cb 0.00 -3.63 -0.13 0.00 -1.78 0.00 0.00 34.13 28.58 1eey s GLU 222 CO 0.00 -0.21 1.32 -0.25 -0.49 0.00 0.00 175.26 175.63 1eey n ASP 223 N 5.12 2.57 -3.00 -0.19 10.43 -1.26 -0.96 116.55 129.26 1eey n ASP 223 Ca -0.10 1.17 -0.38 0.00 2.57 0.00 0.00 54.79 58.06 1eey n ASP 223 Cb 0.51 -1.43 0.03 0.00 1.84 0.00 0.00 41.12 42.07 1eey n ASP 223 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1eey n GLN 224 N 1.37 3.41 -0.23 -1.24 1.13 -0.60 -4.86 117.38 116.37 1eey n GLN 224 Ca 0.09 -3.95 -0.11 0.00 -1.94 0.00 0.00 57.00 51.08 1eey n GLN 224 Cb 0.33 -2.31 -0.08 0.00 0.11 0.00 0.00 30.24 28.30 1eey n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1eey h THR 225 N 2.17 0.02 0.00 5.09 2.02 -1.89 -2.56 112.91 117.76 1eey h THR 225 Ca 0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1eey h THR 225 Cb 0.23 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1eey h THR 225 CO 1.27 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 176.99 1eey n GLN 226 N -5.36 0.11 -0.57 6.66 6.02 -1.26 -3.67 117.38 119.31 1eey n GLN 226 Ca -0.00 0.07 0.08 0.00 -0.01 0.00 0.00 57.00 57.14 1eey n GLN 226 Cb 0.33 -1.61 0.31 0.00 1.02 0.00 0.00 30.24 30.29 1eey n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1eey n ASP 227 N -1.79 4.46 -4.57 1.08 8.00 -0.99 -4.92 116.55 117.81 1eey n ASP 227 Ca 0.06 -2.76 -0.34 0.00 0.71 0.00 0.00 54.79 52.46 1eey n ASP 227 Cb 0.38 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 1eey n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1eey s THR 228 N -2.39 4.02 -0.29 -3.53 2.01 -1.03 -4.47 115.64 109.97 1eey s THR 228 Ca 0.45 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 1eey s THR 228 Cb 0.33 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1eey s THR 228 CO 0.15 0.54 0.43 -0.70 -0.69 0.00 0.00 174.62 174.35 1eey s GLU 229 N -0.19 3.89 -0.14 4.92 2.12 0.12 -4.92 118.70 124.49 1eey s GLU 229 Ca 0.04 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1eey s GLU 229 Cb -0.13 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 1eey s GLU 229 CO 0.02 -0.40 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.03 1eey s LEU 230 N 2.19 2.59 0.21 2.70 2.96 -1.26 -1.32 118.68 126.74 1eey s LEU 230 Ca 0.17 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1eey s LEU 230 Cb -0.16 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1eey s LEU 230 CO 0.11 0.12 0.39 0.68 -1.32 0.00 0.00 176.35 176.33 1eey s VAL 231 N 0.59 5.21 0.36 1.68 -7.23 -1.14 -5.06 120.40 114.81 1eey s VAL 231 Ca -0.08 -0.43 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 1eey s VAL 231 Cb -0.16 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 1eey s VAL 231 CO 0.03 -0.20 1.36 -0.70 -0.31 0.00 0.00 175.10 175.28 1eey s GLU 232 N -3.43 4.23 0.12 4.82 2.12 -1.26 -4.63 118.70 120.67 1eey s GLU 232 Ca 0.38 2.32 -0.31 0.00 0.36 0.00 0.00 54.97 57.72 1eey s GLU 232 Cb -0.11 -3.00 -0.10 0.00 0.26 0.00 0.00 34.13 31.19 1eey s GLU 232 CO 0.29 -0.33 1.70 0.99 -0.54 0.00 0.00 175.26 177.37 1eey s THR 233 N -1.15 2.71 0.24 -1.70 2.01 -1.26 -4.82 115.64 111.68 1eey s THR 233 Ca 0.51 0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.92 1eey s THR 233 Cb -0.42 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1eey s THR 233 CO 0.56 0.01 -0.21 0.00 -0.69 0.00 0.00 174.62 174.28 1eey s ARG 234 N 2.28 1.58 0.16 4.92 1.70 -0.24 -4.93 118.95 124.41 1eey s ARG 234 Ca 0.76 -1.65 -0.22 0.00 -0.47 0.00 0.00 55.73 54.15 1eey s ARG 234 Cb -0.43 -1.75 -0.08 0.00 -0.57 0.00 0.00 34.95 32.12 1eey s ARG 234 CO 0.33 0.35 0.70 -1.25 -1.08 0.00 0.00 175.30 174.35 1eey s PRO 235 N -3.16 4.36 0.16 3.89 0.04 -1.26 0.10 135.00 139.13 1eey s PRO 235 Ca 0.25 0.94 0.12 0.00 0.04 0.00 0.00 61.00 62.36 1eey s PRO 235 Cb -0.06 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1eey s PRO 235 CO 0.12 0.53 1.23 0.00 0.04 0.00 0.00 177.00 178.93 1eey h ALA 236 N 4.07 0.55 0.00 8.56 0.00 -1.08 -3.46 119.26 127.90 1eey h ALA 236 Ca -0.48 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1eey h ALA 236 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1eey h ALA 236 CO 0.65 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.30 1eey n GLY 237 N 1.32 0.77 0.23 0.00 0.00 -1.26 -4.91 105.19 101.34 1eey n GLY 237 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1eey n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1eey n ASP 238 N 0.00 2.38 0.00 1.61 5.75 -1.26 -4.95 116.55 120.08 1eey n ASP 238 Ca 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1eey n ASP 238 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1eey n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1eey n GLY 239 N -0.26 0.25 3.88 6.12 0.00 -1.26 -5.07 105.19 108.85 1eey n GLY 239 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1eey n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1eey s THR 240 N -2.01 3.01 0.42 2.61 -4.23 -1.26 -4.86 115.64 109.32 1eey s THR 240 Ca 0.00 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.26 1eey s THR 240 Cb 0.00 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.70 1eey s THR 240 CO 0.00 -0.06 0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1eey s PHE 241 N -2.40 2.45 0.06 3.99 0.08 -0.42 -0.47 117.98 121.27 1eey s PHE 241 Ca 0.46 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 1eey s PHE 241 Cb -0.05 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1eey s PHE 241 CO 0.28 0.39 0.08 -0.65 -0.10 0.00 0.00 175.22 175.21 1eey s GLN 242 N -3.76 0.66 -0.16 0.44 -0.21 0.11 -2.24 119.66 114.51 1eey s GLN 242 Ca 0.33 -0.97 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 1eey s GLN 242 Cb 0.08 0.25 0.13 0.00 1.00 0.00 0.00 33.01 34.48 1eey s GLN 242 CO 0.17 -0.17 1.04 0.21 -2.12 0.00 0.00 175.29 174.42 1eey s LYS 243 N -3.39 0.54 0.01 2.91 2.20 -0.79 -1.08 119.74 120.13 1eey s LYS 243 Ca 0.02 0.08 -0.15 0.00 -0.36 0.00 0.00 55.97 55.56 1eey s LYS 243 Cb 0.03 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1eey s LYS 243 CO -0.08 -0.18 0.32 1.67 -0.36 0.00 0.00 175.35 176.72 1eey s TRP 244 N -1.33 -0.17 -0.04 4.03 1.48 -1.26 -1.31 118.94 120.34 1eey s TRP 244 Ca 0.01 0.19 0.05 0.00 -1.06 0.00 0.00 56.10 55.28 1eey s TRP 244 Cb -0.01 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.41 1eey s TRP 244 CO -0.01 -0.44 -0.18 0.00 -4.06 0.00 0.00 176.95 172.27 1eey s ALA 245 N -1.77 1.54 0.04 2.67 0.00 -0.76 -2.87 121.76 120.61 1eey s ALA 245 Ca -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1eey s ALA 245 Cb -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1eey s ALA 245 CO 0.02 0.30 -0.09 0.00 0.00 0.00 0.00 175.76 175.99 1eey s ALA 246 N -0.06 0.68 0.03 0.00 0.00 -0.44 0.11 121.76 122.09 1eey s ALA 246 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1eey s ALA 246 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1eey s ALA 246 CO 0.02 0.05 -0.08 0.14 0.00 0.00 0.00 175.76 175.89 1eey s VAL 247 N -1.09 0.58 -0.33 0.00 -7.23 -0.23 0.13 120.40 112.24 1eey s VAL 247 Ca -0.06 -0.76 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 1eey s VAL 247 Cb -0.08 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 1eey s VAL 247 CO 0.01 -0.15 0.55 -0.69 -0.31 0.00 0.00 175.10 174.50 1eey s VAL 248 N -0.86 5.00 -0.07 1.32 1.01 -1.26 -0.05 120.40 125.50 1eey s VAL 248 Ca -0.04 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 1eey s VAL 248 Cb -0.07 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1eey s VAL 248 CO 0.00 -0.15 0.00 -0.69 0.00 0.00 0.00 175.10 174.26 1eey s VAL 249 N 2.45 4.30 -0.01 2.92 1.01 0.26 -4.93 120.40 126.40 1eey s VAL 249 Ca 0.21 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1eey s VAL 249 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1eey s VAL 249 CO 0.12 0.55 1.45 -2.84 0.00 0.00 0.00 175.10 174.39 1eey s PRO 250 N -1.05 4.25 -0.02 2.72 0.02 -1.26 -0.68 135.00 138.99 1eey s PRO 250 Ca 0.15 2.01 -0.40 0.00 0.02 0.00 0.00 61.00 62.78 1eey s PRO 250 Cb -0.11 -3.65 -0.20 0.00 0.02 0.00 0.00 34.50 30.56 1eey s PRO 250 CO 0.04 -0.64 1.13 0.43 -0.33 0.00 0.00 177.00 177.63 1eey n SER 251 N 5.73 0.23 0.00 2.53 7.64 -0.96 -1.11 113.62 127.69 1eey n SER 251 Ca 0.14 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.18 1eey n SER 251 Cb 0.43 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1eey n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1eey n GLY 252 N 1.73 1.70 0.97 0.23 0.00 -1.26 -4.92 105.19 103.65 1eey n GLY 252 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1eey n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1eey n GLN 253 N -1.97 2.36 -0.34 1.61 6.02 -0.26 -4.68 117.38 120.12 1eey n GLN 253 Ca 0.00 -2.14 0.07 0.00 -0.01 0.00 0.00 57.00 54.92 1eey n GLN 253 Cb 0.00 -1.42 0.16 0.00 1.02 0.00 0.00 30.24 30.00 1eey n GLN 253 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1eey n GLU 254 N 1.17 -0.08 0.22 -1.09 4.71 -1.26 0.18 120.64 124.48 1eey n GLU 254 Ca 0.17 1.48 0.13 0.00 -0.01 0.00 0.00 57.16 58.93 1eey n GLU 254 Cb 0.52 -2.23 0.71 0.00 -1.01 0.00 0.00 31.44 29.43 1eey n GLU 254 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1eey h GLN 255 N 0.00 0.00 0.00 3.49 3.07 -1.83 -2.08 115.11 117.76 1eey h GLN 255 Ca 0.48 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.16 1eey h GLN 255 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.35 1eey h GLN 255 CO -0.97 0.00 -0.32 0.00 0.09 0.00 0.00 178.83 177.64 1eey h ARG 256 N 0.00 0.00 -5.88 0.06 3.08 -0.63 -3.47 114.38 107.54 1eey h ARG 256 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1eey h ARG 256 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1eey h ARG 256 CO 0.00 0.32 -0.30 0.71 -1.07 0.00 0.00 179.97 179.63 1eey s TYR 257 N -3.08 3.68 -0.01 3.04 1.51 -0.78 -1.55 117.35 120.17 1eey s TYR 257 Ca 0.05 0.83 0.03 0.00 -1.01 0.00 0.00 57.07 56.97 1eey s TYR 257 Cb 0.07 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1eey s TYR 257 CO 0.71 0.68 -0.11 0.95 -1.11 0.00 0.00 175.55 176.67 1eey s THR 258 N -1.05 0.89 -0.17 -0.71 -4.23 0.04 -4.38 115.64 106.03 1eey s THR 258 Ca 0.21 -0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1eey s THR 258 Cb -0.15 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1eey s THR 258 CO 0.10 0.26 0.07 0.00 -0.54 0.00 0.00 174.62 174.51 1eey s HIS 260 N 0.15 2.82 -0.17 0.00 3.76 0.62 -0.06 115.29 122.42 1eey s HIS 260 Ca 0.05 -1.12 -0.02 0.00 -0.15 0.00 0.00 55.06 53.82 1eey s HIS 260 Cb -0.12 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 1eey s HIS 260 CO 0.00 -0.55 -0.09 0.08 -0.85 0.00 0.00 174.74 173.34 1eey s VAL 261 N 1.05 3.27 -0.10 -0.90 1.01 -0.73 -1.38 120.40 122.62 1eey s VAL 261 Ca -0.01 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1eey s VAL 261 Cb -0.15 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1eey s VAL 261 CO -0.03 0.49 -0.20 -1.10 0.00 0.00 0.00 175.10 174.25 1eey s GLN 262 N 0.75 2.66 -0.02 2.72 -0.21 0.58 -1.79 119.66 124.35 1eey s GLN 262 Ca -0.04 -0.73 -0.27 0.00 0.02 0.00 0.00 55.36 54.34 1eey s GLN 262 Cb -0.15 -2.10 0.06 0.00 1.00 0.00 0.00 33.01 31.82 1eey s GLN 262 CO 0.02 0.06 0.59 -1.58 -2.12 0.00 0.00 175.29 172.26 1eey s HIS 263 N 0.63 -0.54 0.23 0.91 2.46 -1.26 -1.22 115.29 116.48 1eey s HIS 263 Ca -0.13 0.85 -0.07 0.00 0.47 0.00 0.00 55.06 56.18 1eey s HIS 263 Cb -0.16 0.36 0.32 0.00 -0.13 0.00 0.00 32.58 32.96 1eey s HIS 263 CO 0.04 -0.59 1.80 1.49 -2.47 0.00 0.00 174.74 175.00 1eey h GLU 264 N 3.05 0.67 -0.97 2.88 4.81 -1.93 -2.69 114.58 120.41 1eey h GLU 264 Ca -0.28 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1eey h GLU 264 Cb 1.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1eey h GLU 264 CO 0.39 0.44 0.05 0.41 -0.73 0.00 0.00 179.01 179.58 1eey n GLY 265 N -1.30 2.06 3.51 1.92 0.00 -1.26 -4.82 105.19 105.29 1eey n GLY 265 Ca 0.11 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1eey n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1eey s LEU 266 N -0.48 3.27 0.26 0.99 1.43 -1.02 -3.95 118.68 119.18 1eey s LEU 266 Ca 0.09 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1eey s LEU 266 Cb 0.07 -1.79 0.49 0.00 0.03 0.00 0.00 46.19 45.00 1eey s LEU 266 CO 0.02 0.17 1.78 1.55 0.23 0.00 0.00 176.35 180.10 1eey h PRO 267 N 6.68 0.66 -3.31 1.29 0.13 -1.89 -3.43 132.00 132.12 1eey h PRO 267 Ca -0.31 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 1eey h PRO 267 Cb 1.19 -0.15 -0.17 0.00 0.13 0.00 0.00 31.00 32.01 1eey h PRO 267 CO 0.63 0.44 -0.24 -1.59 -0.23 0.00 0.00 178.00 177.01 1eey s LYS 268 N -5.99 0.83 0.29 0.86 -2.85 -1.26 -5.13 119.74 106.48 1eey s LYS 268 Ca -0.12 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.03 1eey s LYS 268 Cb 0.21 0.36 -0.13 0.00 -2.06 0.00 0.00 37.83 36.21 1eey s LYS 268 CO 0.78 -0.27 1.37 -2.30 0.10 0.00 0.00 175.35 175.03 1eey n PRO 269 N 0.52 2.12 -3.41 1.78 -0.02 -1.26 -4.95 135.00 129.77 1eey n PRO 269 Ca -0.18 0.75 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 1eey n PRO 269 Cb 0.60 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1eey n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1eey s LEU 270 N -0.40 4.15 -0.23 2.45 1.43 -0.74 -4.95 118.68 120.39 1eey s LEU 270 Ca 0.62 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1eey s LEU 270 Cb -0.60 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.05 1eey s LEU 270 CO 0.55 -0.09 0.05 -0.89 0.23 0.00 0.00 176.35 176.20 1eey s THR 271 N -1.86 0.61 0.21 5.49 2.01 -1.26 -1.77 115.64 119.06 1eey s THR 271 Ca 0.46 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1eey s THR 271 Cb -0.11 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1eey s THR 271 CO 0.23 -0.36 0.33 -0.76 -0.69 0.00 0.00 174.62 173.38 1eey s LEU 272 N 1.80 4.33 -0.22 4.42 1.43 0.91 -4.91 118.68 126.43 1eey s LEU 272 Ca 0.02 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1eey s LEU 272 Cb -0.17 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.23 1eey s LEU 272 CO -0.14 -0.02 0.58 -0.60 0.23 0.00 0.00 176.35 176.39 1eey s ARG 273 N -3.70 0.65 -0.21 1.70 3.52 -1.26 -0.76 118.95 118.89 1eey s ARG 273 Ca 0.34 0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 56.50 1eey s ARG 273 Cb -0.10 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.58 1eey s ARG 273 CO 0.29 -0.10 1.03 -0.46 -0.81 0.00 0.00 175.30 175.25 1eey s TRP 274 N 0.55 3.37 0.00 5.12 -0.11 -1.26 -5.07 118.94 121.54 1eey s TRP 274 Ca -0.02 1.48 0.00 0.00 1.22 0.00 0.00 56.10 58.78 1eey s TRP 274 Cb -0.05 -3.25 0.00 0.00 -1.50 0.00 0.00 33.47 28.68 1eey s TRP 274 CO -0.03 -0.43 0.00 -0.85 -4.62 0.00 0.00 176.95 171.02