#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jht s SER 2 N 0.00 4.96 0.12 1.61 0.01 -1.26 -3.72 113.70 115.42 1jht s SER 2 Ca 0.00 1.77 -0.07 0.00 1.31 0.00 0.00 55.95 58.97 1jht s SER 2 Cb 0.00 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1jht s SER 2 CO 0.00 -1.73 0.18 -1.00 0.41 0.00 0.00 173.24 171.10 1jht s HIS 3 N -2.86 0.42 0.08 2.43 0.09 -0.57 -4.95 115.29 109.93 1jht s HIS 3 Ca 0.61 -0.82 -0.15 0.00 -0.00 0.00 0.00 55.06 54.70 1jht s HIS 3 Cb -0.16 -0.17 0.03 0.00 -0.00 0.00 0.00 32.58 32.28 1jht s HIS 3 CO 0.53 -0.60 0.34 -1.54 -0.00 0.00 0.00 174.74 173.47 1jht s SER 4 N -2.94 -0.16 -0.07 1.40 1.04 -1.26 -0.25 113.70 111.45 1jht s SER 4 Ca 0.14 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1jht s SER 4 Cb 0.05 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.59 1jht s SER 4 CO -0.04 -0.72 -0.15 -0.32 0.98 0.00 0.00 173.24 173.00 1jht s MET 5 N -3.11 1.98 0.00 4.02 1.75 -0.37 -0.46 119.30 123.11 1jht s MET 5 Ca -0.01 -0.51 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 1jht s MET 5 Cb 0.01 -1.60 -0.00 0.00 2.84 0.00 0.00 34.83 36.08 1jht s MET 5 CO -0.07 0.05 -0.01 1.03 -0.65 0.00 0.00 175.02 175.37 1jht s ARG 6 N 0.63 0.05 -0.09 4.11 0.52 -0.22 -1.17 118.95 122.78 1jht s ARG 6 Ca -0.15 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 1jht s ARG 6 Cb -0.16 -0.00 -0.01 0.00 0.52 0.00 0.00 34.95 35.29 1jht s ARG 6 CO 0.04 -0.00 -0.19 0.71 0.02 0.00 0.00 175.30 175.88 1jht s TYR 7 N -0.16 2.63 -0.13 -0.53 1.51 0.35 -0.22 117.35 120.80 1jht s TYR 7 Ca -0.02 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1jht s TYR 7 Cb -0.01 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1jht s TYR 7 CO -0.00 -0.18 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.98 1jht s PHE 8 N -0.00 2.59 -0.07 2.71 0.08 -0.48 -2.04 117.98 120.77 1jht s PHE 8 Ca -0.06 -1.26 0.05 0.00 0.12 0.00 0.00 56.93 55.78 1jht s PHE 8 Cb -0.15 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 1jht s PHE 8 CO 0.05 -0.57 -0.24 -0.06 -0.10 0.00 0.00 175.22 174.30 1jht s PHE 9 N 0.75 2.36 -0.09 0.36 0.40 0.77 -1.81 117.98 120.72 1jht s PHE 9 Ca -0.09 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 55.49 1jht s PHE 9 Cb -0.16 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1jht s PHE 9 CO -0.00 -0.26 -0.15 0.99 0.70 0.00 0.00 175.22 176.50 1jht s THR 10 N -0.01 1.40 -0.09 0.64 2.01 0.34 -1.04 115.64 118.89 1jht s THR 10 Ca -0.07 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1jht s THR 10 Cb -0.15 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1jht s THR 10 CO 0.05 0.42 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.80 1jht s SER 11 N 0.74 2.30 -0.11 3.53 0.01 0.53 -0.74 113.70 119.96 1jht s SER 11 Ca -0.12 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1jht s SER 11 Cb -0.16 -1.05 0.03 0.00 0.21 0.00 0.00 66.02 65.06 1jht s SER 11 CO 0.03 0.05 -0.04 -0.69 0.41 0.00 0.00 173.24 173.00 1jht s VAL 12 N 0.72 0.77 0.51 3.43 1.01 -0.43 -0.62 120.40 125.79 1jht s VAL 12 Ca -0.12 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1jht s VAL 12 Cb -0.16 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 1jht s VAL 12 CO 0.03 0.28 1.11 -0.94 0.00 0.00 0.00 175.10 175.57 1jht s SER 13 N 1.81 6.00 -0.51 3.32 1.04 -0.84 -0.50 113.70 124.01 1jht s SER 13 Ca 0.04 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.63 1jht s SER 13 Cb -0.13 -2.58 0.15 0.00 0.10 0.00 0.00 66.02 63.57 1jht s SER 13 CO -0.07 -1.02 0.34 -0.13 0.98 0.00 0.00 173.24 173.34 1jht s ARG 14 N -3.15 1.54 -0.29 4.02 0.52 -1.26 -4.23 118.95 116.10 1jht s ARG 14 Ca 0.69 -2.44 -0.42 0.00 -0.52 0.00 0.00 55.73 53.04 1jht s ARG 14 Cb -0.22 -2.42 -0.18 0.00 0.52 0.00 0.00 34.95 32.65 1jht s ARG 14 CO 0.26 -1.26 1.59 -2.30 0.02 0.00 0.00 175.30 173.61 1jht n PRO 15 N 2.88 0.67 -0.85 3.54 -0.02 -1.26 -0.31 135.00 139.65 1jht n PRO 15 Ca 0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1jht n PRO 15 Cb 0.38 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1jht n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jht n GLY 16 N 3.71 0.31 0.53 -1.23 0.00 -1.26 -4.80 105.19 102.45 1jht n GLY 16 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.35 1jht n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jht n ARG 17 N -1.32 1.30 0.00 1.61 1.74 0.58 -5.11 116.66 115.45 1jht n ARG 17 Ca 0.00 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1jht n ARG 17 Cb 0.15 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1jht n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jht n GLY 18 N -1.02 0.45 3.77 -0.13 0.00 -1.21 -4.91 105.19 102.14 1jht n GLY 18 Ca 0.16 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1jht n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jht n GLU 19 N 8.69 2.64 -1.97 1.61 -0.58 -1.26 -4.42 120.64 125.34 1jht n GLU 19 Ca 0.00 0.93 -0.34 0.00 -0.42 0.00 0.00 57.16 57.32 1jht n GLU 19 Cb 0.00 -2.65 0.03 0.00 -0.57 0.00 0.00 31.44 28.25 1jht n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1jht s PRO 20 N -1.88 2.99 0.34 3.49 0.04 -1.26 -4.65 135.00 134.06 1jht s PRO 20 Ca 0.55 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 1jht s PRO 20 Cb -0.49 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1jht s PRO 20 CO 0.62 -1.14 1.07 0.50 0.04 0.00 0.00 177.00 178.09 1jht s ARG 21 N -3.61 4.41 -0.05 4.56 6.06 0.35 -4.84 118.95 125.82 1jht s ARG 21 Ca 0.72 1.65 -0.02 0.00 -2.50 0.00 0.00 55.73 55.59 1jht s ARG 21 Cb -0.24 -2.87 0.03 0.00 0.06 0.00 0.00 34.95 31.92 1jht s ARG 21 CO 0.34 0.04 0.03 0.12 -2.50 0.00 0.00 175.30 173.34 1jht s PHE 22 N -1.40 0.29 -0.09 5.12 5.36 -1.26 -1.32 117.98 124.68 1jht s PHE 22 Ca 0.51 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 56.58 1jht s PHE 22 Cb -0.27 -0.58 0.02 0.00 -0.34 0.00 0.00 43.02 41.85 1jht s PHE 22 CO 0.34 -0.23 -0.12 0.42 -1.46 0.00 0.00 175.22 174.17 1jht s ILE 23 N 1.98 1.22 -0.05 3.12 -1.09 0.08 -0.80 121.20 125.66 1jht s ILE 23 Ca 0.03 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 1jht s ILE 23 Cb -0.12 -1.14 -0.00 0.00 -1.58 0.00 0.00 42.46 39.62 1jht s ILE 23 CO -0.04 0.38 -0.16 0.00 -1.23 0.00 0.00 174.94 173.89 1jht s ALA 24 N 1.01 1.47 0.01 9.38 0.00 -0.28 -0.51 121.76 132.84 1jht s ALA 24 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1jht s ALA 24 Cb -0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1jht s ALA 24 CO -0.01 0.25 -0.05 0.14 0.00 0.00 0.00 175.76 176.10 1jht s VAL 25 N 0.11 0.34 -0.02 0.00 -7.23 -0.75 -0.11 120.40 112.74 1jht s VAL 25 Ca -0.05 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.77 1jht s VAL 25 Cb -0.12 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1jht s VAL 25 CO 0.02 -0.04 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.83 1jht s GLY 26 N -0.45 1.62 0.08 2.32 0.00 -0.46 -1.38 107.32 109.04 1jht s GLY 26 Ca -0.02 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.73 1jht s GLY 26 CO -0.00 -0.85 -0.13 -0.19 0.00 0.00 0.00 173.10 171.92 1jht s TYR 27 N -0.85 1.19 -0.22 1.90 1.51 0.69 -0.71 117.35 120.86 1jht s TYR 27 Ca 0.14 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1jht s TYR 27 Cb -0.11 -0.66 0.05 0.00 -0.11 0.00 0.00 41.96 41.13 1jht s TYR 27 CO 0.03 0.05 -0.08 0.08 -1.11 0.00 0.00 175.55 174.53 1jht s VAL 28 N -1.45 1.58 0.00 0.71 1.01 0.03 -1.05 120.40 121.24 1jht s VAL 28 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1jht s VAL 28 Cb -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1jht s VAL 28 CO 0.02 0.04 0.00 0.47 0.00 0.00 0.00 175.10 175.63 1jht n ASP 29 N 4.68 0.00 -1.59 3.32 8.00 0.39 -0.82 116.55 130.52 1jht n ASP 29 Ca -0.13 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.44 1jht n ASP 29 Cb 0.45 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.91 1jht n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jht n ASP 30 N 6.63 5.16 -4.22 -2.24 8.00 -1.26 -4.90 116.55 123.73 1jht n ASP 30 Ca 0.00 -2.98 -0.34 0.00 0.71 0.00 0.00 54.79 52.18 1jht n ASP 30 Cb 0.00 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.31 1jht n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jht s THR 31 N -2.80 2.88 0.28 -3.53 2.01 -0.00 -5.03 115.64 109.44 1jht s THR 31 Ca 0.51 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 1jht s THR 31 Cb 0.40 -2.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 1jht s THR 31 CO 0.14 0.33 1.08 -1.58 -0.69 0.00 0.00 174.62 173.89 1jht s GLN 32 N 1.37 4.64 0.00 4.92 0.74 -1.26 -0.79 119.66 129.28 1jht s GLN 32 Ca 0.03 1.76 0.00 0.00 0.05 0.00 0.00 55.36 57.20 1jht s GLN 32 Cb -0.15 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1jht s GLN 32 CO -0.06 0.23 0.00 1.97 -0.55 0.00 0.00 175.29 176.88 1jht n PHE 33 N 1.17 0.00 -3.86 1.67 -1.74 0.11 -4.18 117.46 110.64 1jht n PHE 33 Ca -0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.78 1jht n PHE 33 Cb 0.45 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.39 1jht n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1jht s VAL 34 N -1.27 0.06 0.06 1.97 -7.23 -1.23 0.03 120.40 112.79 1jht s VAL 34 Ca 0.00 -1.11 -0.25 0.00 -1.81 0.00 0.00 61.98 58.80 1jht s VAL 34 Cb 0.00 -1.66 0.07 0.00 0.56 0.00 0.00 36.38 35.35 1jht s VAL 34 CO 0.00 -0.27 0.60 0.00 -0.31 0.00 0.00 175.10 175.12 1jht s ARG 35 N -3.92 1.15 -0.04 4.82 1.04 -0.53 -1.35 118.95 120.12 1jht s ARG 35 Ca 0.12 -0.18 -0.01 0.00 -1.04 0.00 0.00 55.73 54.62 1jht s ARG 35 Cb 0.02 0.53 0.03 0.00 -2.04 0.00 0.00 34.95 33.49 1jht s ARG 35 CO -0.03 -0.44 0.08 0.12 -0.04 0.00 0.00 175.30 174.99 1jht s PHE 36 N -2.62 -0.05 -0.14 5.89 5.36 0.84 -0.55 117.98 126.71 1jht s PHE 36 Ca -0.04 0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 1jht s PHE 36 Cb -0.01 -0.18 0.04 0.00 -0.34 0.00 0.00 43.02 42.54 1jht s PHE 36 CO -0.03 -0.13 -0.04 0.34 -1.46 0.00 0.00 175.22 173.91 1jht s ASP 37 N 1.14 2.45 0.56 6.13 -1.08 -1.26 -1.12 116.67 123.49 1jht s ASP 37 Ca -0.09 -0.49 0.28 0.00 -0.52 0.00 0.00 52.55 51.73 1jht s ASP 37 Cb -0.12 -0.76 1.48 0.00 -1.46 0.00 0.00 42.92 42.05 1jht s ASP 37 CO -0.04 -0.19 1.95 0.77 0.52 0.00 0.00 175.17 178.18 1jht h SER 38 N 8.19 0.00 -0.04 -0.34 4.64 -1.36 0.11 113.55 124.75 1jht h SER 38 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1jht h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1jht h SER 38 CO 0.37 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.80 1jht n ASP 39 N -3.99 2.00 -4.90 4.97 8.00 -1.26 -4.94 116.55 116.43 1jht n ASP 39 Ca 0.09 -1.67 -0.28 0.00 0.71 0.00 0.00 54.79 53.64 1jht n ASP 39 Cb 0.65 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.78 1jht n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jht s ALA 40 N -1.98 3.14 0.13 2.24 0.00 0.38 -5.02 121.76 120.65 1jht s ALA 40 Ca 0.35 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.72 1jht s ALA 40 Cb 0.21 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.45 1jht s ALA 40 CO 0.32 -0.88 1.37 0.00 0.00 0.00 0.00 175.76 176.57 1jht h ALA 41 N -0.33 0.43 -0.42 0.00 0.00 -1.92 -3.34 119.26 113.69 1jht h ALA 41 Ca -0.45 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 53.80 1jht h ALA 41 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1jht h ALA 41 CO 0.62 0.70 -0.08 0.66 0.00 0.00 0.00 179.25 181.15 1jht h SER 42 N 0.50 0.71 -4.37 0.00 4.64 -1.95 -3.46 113.55 109.62 1jht h SER 42 Ca -0.03 -0.20 -0.40 0.00 -0.47 0.00 0.00 61.79 60.69 1jht h SER 42 Cb 1.31 -0.19 0.06 0.00 -0.31 0.00 0.00 62.40 63.27 1jht h SER 42 CO 0.14 0.83 -0.60 0.00 -0.87 0.00 0.00 176.83 176.33 1jht n GLN 43 N -4.19 -4.80 -4.02 4.77 1.13 -1.26 -4.98 117.38 104.04 1jht n GLN 43 Ca 0.02 0.90 -0.08 0.00 -1.94 0.00 0.00 57.00 55.90 1jht n GLN 43 Cb 0.34 -5.73 -0.09 0.00 0.11 0.00 0.00 30.24 24.86 1jht n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1jht s ARG 44 N -5.67 0.65 0.16 -1.09 0.52 -1.26 -5.06 118.95 107.19 1jht s ARG 44 Ca 0.29 -1.10 -0.31 0.00 -0.52 0.00 0.00 55.73 54.10 1jht s ARG 44 Cb -0.13 0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.49 1jht s ARG 44 CO 0.36 -0.14 1.35 1.41 0.02 0.00 0.00 175.30 178.30 1jht s MET 45 N -3.70 4.35 0.15 3.54 -2.45 -1.26 -4.68 119.30 115.26 1jht s MET 45 Ca 0.05 2.06 0.10 0.00 -1.25 0.00 0.00 55.69 56.65 1jht s MET 45 Cb 0.06 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.87 1jht s MET 45 CO -0.09 -0.34 -0.22 -1.21 1.05 0.00 0.00 175.02 174.20 1jht s GLU 46 N 0.50 1.61 0.42 4.11 2.02 0.29 -4.88 118.70 122.77 1jht s GLU 46 Ca 0.61 -1.35 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 1jht s GLU 46 Cb -0.37 -1.97 -0.11 0.00 0.10 0.00 0.00 34.13 31.79 1jht s GLU 46 CO 0.34 0.44 0.96 -1.25 0.02 0.00 0.00 175.26 175.77 1jht s PRO 47 N -2.36 4.22 -0.01 0.39 0.04 -1.26 -1.45 135.00 134.57 1jht s PRO 47 Ca 0.18 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1jht s PRO 47 Cb -0.09 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1jht s PRO 47 CO 0.09 -0.04 0.84 0.54 0.04 0.00 0.00 177.00 178.48 1jht n ARG 48 N -0.53 0.21 -3.75 4.56 5.12 0.10 -4.83 116.66 117.53 1jht n ARG 48 Ca 0.07 -0.96 -0.13 0.00 -1.93 0.00 0.00 57.85 54.90 1jht n ARG 48 Cb 0.53 -0.59 -0.11 0.00 -1.16 0.00 0.00 32.46 31.14 1jht n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jht s ALA 49 N -0.23 -0.86 0.13 7.54 0.00 -1.23 -4.60 121.76 122.52 1jht s ALA 49 Ca 0.02 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 1jht s ALA 49 Cb 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1jht s ALA 49 CO 0.00 -0.17 1.63 -1.00 0.00 0.00 0.00 175.76 176.23 1jht h PRO 50 N 5.63 -0.31 0.00 0.00 0.13 -1.94 -2.62 132.00 132.89 1jht h PRO 50 Ca -0.27 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1jht h PRO 50 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1jht h PRO 50 CO 0.29 -0.21 0.05 -2.67 -0.23 0.00 0.00 178.00 175.23 1jht n TRP 51 N -5.37 0.47 0.28 1.56 4.27 -1.26 -1.19 117.44 116.19 1jht n TRP 51 Ca -0.03 0.24 0.11 0.00 -3.89 0.00 0.00 57.50 53.94 1jht n TRP 51 Cb 0.29 -0.85 -0.03 0.00 -1.36 0.00 0.00 31.31 29.36 1jht n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1jht n ILE 52 N -1.98 0.29 0.30 -1.67 0.00 -0.99 -4.02 119.36 111.30 1jht n ILE 52 Ca -0.01 -0.41 0.19 0.00 0.00 0.00 0.00 62.75 62.52 1jht n ILE 52 Cb 0.07 -0.04 0.86 0.00 0.00 0.00 0.00 39.64 40.53 1jht n ILE 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jht h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.18 -2.04 114.58 125.95 1jht h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jht h GLU 53 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1jht h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1jht n GLN 54 N -3.10 0.03 -2.19 2.33 10.64 -1.26 -4.76 117.38 119.07 1jht n GLN 54 Ca -0.01 0.22 -0.40 0.00 -1.83 0.00 0.00 57.00 54.98 1jht n GLN 54 Cb 0.23 -1.55 -0.02 0.00 -0.86 0.00 0.00 30.24 28.04 1jht n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1jht s GLU 55 N -3.04 4.25 0.92 2.61 0.41 -0.77 -5.01 118.70 118.08 1jht s GLU 55 Ca 0.08 2.07 -0.13 0.00 -0.41 0.00 0.00 54.97 56.58 1jht s GLU 55 Cb 0.11 -2.94 0.15 0.00 -1.78 0.00 0.00 34.13 29.67 1jht s GLU 55 CO 0.34 -0.22 1.17 0.20 -0.49 0.00 0.00 175.26 176.26 1jht s GLY 56 N -0.73 1.61 0.58 -1.39 0.00 -1.26 -4.86 107.32 101.27 1jht s GLY 56 Ca 0.52 -0.68 0.28 0.00 0.00 0.00 0.00 44.72 44.83 1jht s GLY 56 CO 0.48 -0.08 2.07 -0.56 0.00 0.00 0.00 173.10 175.01 1jht h PRO 57 N -1.53 0.00 -0.33 2.90 0.13 -1.97 -0.27 132.00 130.93 1jht h PRO 57 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1jht h PRO 57 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1jht h PRO 57 CO 0.57 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 179.07 1jht h GLU 58 N 0.00 0.61 0.31 0.86 5.08 -1.99 -0.16 114.58 119.30 1jht h GLU 58 Ca 0.11 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1jht h GLU 58 Cb 0.59 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jht h GLU 58 CO -0.00 0.78 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.72 1jht h TYR 59 N 0.55 -0.38 -1.00 4.33 3.20 -1.39 -1.32 116.97 120.94 1jht h TYR 59 Ca 0.09 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1jht h TYR 59 Cb 0.64 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.99 1jht h TYR 59 CO 0.03 -0.06 0.66 -1.49 -1.64 0.00 0.00 178.16 175.66 1jht h TRP 60 N -0.75 1.25 -0.50 -3.82 4.06 -1.44 0.85 115.95 115.60 1jht h TRP 60 Ca -0.04 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.81 1jht h TRP 60 Cb 0.50 -0.42 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1jht h TRP 60 CO 0.02 0.76 -0.18 -0.44 -3.56 0.00 0.00 178.44 175.04 1jht h ASP 61 N 1.32 1.01 -0.43 -3.49 3.32 -1.03 -0.52 116.42 116.60 1jht h ASP 61 Ca 0.38 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1jht h ASP 61 Cb -0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1jht h ASP 61 CO -0.10 1.15 -0.07 1.23 -1.72 0.00 0.00 179.24 179.73 1jht h GLY 62 N 0.91 0.87 1.55 2.75 0.00 -0.66 -0.90 103.07 107.58 1jht h GLY 62 Ca 0.12 -0.70 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 1jht h GLY 62 CO 0.06 0.64 -0.47 0.83 0.00 0.00 0.00 176.54 177.60 1jht h GLU 63 N 0.63 0.49 -0.46 4.80 4.39 -0.80 -1.08 114.58 122.55 1jht h GLU 63 Ca 0.11 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 1jht h GLU 63 Cb 0.60 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1jht h GLU 63 CO 0.04 0.86 0.10 1.15 -1.16 0.00 0.00 179.01 180.00 1jht h THR 64 N 0.39 1.24 -0.42 1.13 2.02 -0.98 0.11 112.91 116.40 1jht h THR 64 Ca 0.02 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1jht h THR 64 Cb 0.97 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1jht h THR 64 CO 0.09 0.30 0.17 -0.09 0.37 0.00 0.00 175.52 176.35 1jht h ARG 65 N 0.63 0.63 -0.40 6.66 2.43 -0.97 -1.75 114.38 121.60 1jht h ARG 65 Ca 0.14 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 1jht h ARG 65 Cb 0.34 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1jht h ARG 65 CO 0.00 0.58 -0.36 0.87 -1.51 0.00 0.00 179.97 179.56 1jht h LYS 66 N 0.53 0.95 -0.04 0.20 1.57 -1.05 -2.18 116.57 116.55 1jht h LYS 66 Ca 0.14 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1jht h LYS 66 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1jht h LYS 66 CO -0.01 1.15 -0.39 -0.24 -0.57 0.00 0.00 179.45 179.38 1jht h VAL 67 N 0.78 1.29 -0.13 0.50 3.04 -0.70 -1.26 116.25 119.78 1jht h VAL 67 Ca 0.07 -1.40 -0.14 0.00 -1.01 0.00 0.00 66.70 64.22 1jht h VAL 67 Cb 0.95 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1jht h VAL 67 CO 0.09 0.41 -0.51 0.11 -1.01 0.00 0.00 177.57 176.66 1jht h LYS 68 N 0.07 0.35 -0.53 4.17 1.57 -1.22 -0.86 116.57 120.12 1jht h LYS 68 Ca 0.01 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1jht h LYS 68 Cb 0.73 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1jht h LYS 68 CO 0.05 0.78 -0.02 0.00 -0.57 0.00 0.00 179.45 179.69 1jht h ALA 69 N 1.19 0.97 -0.18 3.86 0.00 -0.69 -1.03 119.26 123.38 1jht h ALA 69 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1jht h ALA 69 Cb 0.99 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1jht h ALA 69 CO 0.08 0.62 0.04 0.45 0.00 0.00 0.00 179.25 180.45 1jht h HIS 70 N 0.84 0.31 -0.51 0.00 3.86 -0.92 -1.74 115.15 117.00 1jht h HIS 70 Ca 0.15 -0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1jht h HIS 70 Cb 0.52 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 1jht h HIS 70 CO 0.03 0.43 0.17 1.03 0.86 0.00 0.00 177.93 180.45 1jht h SER 71 N 0.11 0.14 -0.48 2.45 0.87 -0.82 -0.51 113.55 115.31 1jht h SER 71 Ca 0.06 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1jht h SER 71 Cb 0.28 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1jht h SER 71 CO 0.00 0.10 0.24 -0.61 -0.53 0.00 0.00 176.83 176.04 1jht h GLN 72 N 0.33 0.69 -0.79 2.24 5.75 -1.07 0.13 115.11 122.39 1jht h GLN 72 Ca 0.25 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1jht h GLN 72 Cb 0.29 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1jht h GLN 72 CO -0.27 0.56 0.40 1.15 -2.65 0.00 0.00 178.83 178.02 1jht h THR 73 N 0.63 1.25 -0.06 2.39 2.02 -0.80 -2.21 112.91 116.12 1jht h THR 73 Ca 0.17 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1jht h THR 73 Cb 0.10 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1jht h THR 73 CO -0.02 0.29 -0.39 0.45 0.37 0.00 0.00 175.52 176.22 1jht h HIS 74 N 1.11 0.15 -0.43 3.16 3.86 -0.72 -1.00 115.15 121.28 1jht h HIS 74 Ca 0.27 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1jht h HIS 74 Cb 0.09 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1jht h HIS 74 CO 0.01 0.50 0.24 -0.09 0.86 0.00 0.00 177.93 179.45 1jht h ARG 75 N 0.11 0.61 -0.33 2.45 2.43 -0.38 -2.10 114.38 117.16 1jht h ARG 75 Ca 0.01 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1jht h ARG 75 Cb 0.74 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1jht h ARG 75 CO 0.06 0.49 -0.05 0.28 -1.51 0.00 0.00 179.97 179.23 1jht h VAL 76 N 0.56 1.27 -0.73 0.20 2.07 -1.20 -3.17 116.25 115.26 1jht h VAL 76 Ca 0.15 -1.07 0.16 0.00 0.82 0.00 0.00 66.70 66.76 1jht h VAL 76 Cb 0.06 1.30 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 1jht h VAL 76 CO -0.02 0.35 0.18 0.44 0.02 0.00 0.00 177.57 178.54 1jht h ASP 77 N 0.40 0.02 -0.75 0.57 3.32 -0.80 -0.74 116.42 118.44 1jht h ASP 77 Ca 0.09 0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.36 1jht h ASP 77 Cb 0.53 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 1jht h ASP 77 CO 0.03 -0.03 0.42 -0.07 -1.72 0.00 0.00 179.24 177.86 1jht h LEU 78 N 0.27 0.61 -0.23 1.55 3.38 -1.36 0.47 115.31 120.01 1jht h LEU 78 Ca 0.41 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.35 1jht h LEU 78 Cb 0.70 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1jht h LEU 78 CO -0.50 0.37 -0.12 1.23 0.09 0.00 0.00 178.44 179.51 1jht h GLY 79 N 0.74 0.52 0.97 0.83 0.00 -1.32 -2.03 103.07 102.79 1jht h GLY 79 Ca 0.35 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1jht h GLY 79 CO -0.22 0.43 0.24 -0.84 0.00 0.00 0.00 176.54 176.15 1jht h THR 80 N 0.19 1.18 -0.55 4.70 2.02 -0.48 -2.25 112.91 117.72 1jht h THR 80 Ca 0.05 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1jht h THR 80 Cb 0.62 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1jht h THR 80 CO 0.04 0.19 0.16 -0.07 0.37 0.00 0.00 175.52 176.21 1jht h LEU 81 N 0.61 0.80 -1.14 2.58 3.38 -0.09 0.13 115.31 121.59 1jht h LEU 81 Ca 0.16 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1jht h LEU 81 Cb 0.09 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1jht h LEU 81 CO -0.02 0.80 0.60 -0.09 0.09 0.00 0.00 178.44 179.82 1jht h ARG 82 N 0.76 0.86 -0.12 1.13 2.43 -1.14 -1.28 114.38 117.02 1jht h ARG 82 Ca 0.18 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1jht h ARG 82 Cb 0.29 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1jht h ARG 82 CO -0.00 0.57 -0.22 0.78 -1.51 0.00 0.00 179.97 179.58 1jht h GLY 83 N 0.89 0.39 0.29 2.80 0.00 -0.74 0.19 103.07 106.88 1jht h GLY 83 Ca 0.46 -0.46 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1jht h GLY 83 CO -0.22 0.41 0.55 -0.97 0.00 0.00 0.00 176.54 176.30 1jht h TYR 84 N -0.07 0.97 -0.14 5.60 0.05 -0.25 0.08 116.97 123.22 1jht h TYR 84 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1jht h TYR 84 Cb 0.81 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1jht h TYR 84 CO 0.10 0.29 0.00 0.66 -1.05 0.00 0.00 178.16 178.16 1jht n TYR 85 N -4.76 0.16 -3.97 4.88 4.01 -0.55 -4.93 117.16 111.99 1jht n TYR 85 Ca 0.19 -0.08 -0.26 0.00 -0.16 0.00 0.00 57.90 57.59 1jht n TYR 85 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.45 1jht n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1jht n ASN 86 N 1.01 -0.75 -4.91 7.72 5.15 0.30 -4.95 115.26 118.83 1jht n ASN 86 Ca 0.17 -1.00 -0.28 0.00 -0.60 0.00 0.00 54.58 52.87 1jht n ASN 86 Cb 0.51 -3.08 -0.02 0.00 -0.53 0.00 0.00 39.78 36.67 1jht n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1jht s GLN 87 N -6.58 3.62 0.89 1.20 -0.21 0.39 -5.01 119.66 113.96 1jht s GLN 87 Ca 0.09 0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.42 1jht s GLN 87 Cb -0.05 -2.55 0.12 0.00 1.00 0.00 0.00 33.01 31.53 1jht s GLN 87 CO 0.89 0.08 1.10 -1.54 -2.12 0.00 0.00 175.29 173.70 1jht s SER 88 N -3.48 3.63 0.05 5.90 1.04 -1.26 -4.80 113.70 114.77 1jht s SER 88 Ca 0.45 1.25 0.27 0.00 0.48 0.00 0.00 55.95 58.40 1jht s SER 88 Cb -0.10 -1.92 0.85 0.00 0.10 0.00 0.00 66.02 64.95 1jht s SER 88 CO 0.34 -2.51 1.68 -0.62 0.98 0.00 0.00 173.24 173.11 1jht n GLU 89 N -3.77 0.08 0.23 4.02 1.02 -1.26 -3.93 120.64 117.02 1jht n GLU 89 Ca 0.07 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 1jht n GLU 89 Cb 0.57 -1.57 0.54 0.00 -0.02 0.00 0.00 31.44 30.96 1jht n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jht h ALA 90 N 2.87 1.47 -3.12 0.62 0.00 -1.98 -3.43 119.26 115.68 1jht h ALA 90 Ca 0.00 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 54.08 1jht h ALA 90 Cb 0.57 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1jht h ALA 90 CO 0.00 0.26 -0.58 0.20 0.00 0.00 0.00 179.25 179.13 1jht s GLY 91 N -4.22 2.05 0.24 0.00 0.00 -1.25 -4.83 107.32 99.31 1jht s GLY 91 Ca -0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 44.72 43.46 1jht s GLY 91 CO 0.67 -0.93 0.87 -0.45 0.00 0.00 0.00 173.10 173.25 1jht s SER 92 N -2.34 7.41 0.15 1.64 0.15 -1.26 -4.76 113.70 114.69 1jht s SER 92 Ca 0.30 1.77 0.05 0.00 0.70 0.00 0.00 55.95 58.76 1jht s SER 92 Cb -0.12 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1jht s SER 92 CO 0.22 0.09 -0.10 -1.00 1.20 0.00 0.00 173.24 173.65 1jht s HIS 93 N -1.35 1.26 -0.05 3.44 3.76 -1.26 -4.95 115.29 116.14 1jht s HIS 93 Ca 0.43 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1jht s HIS 93 Cb -0.22 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 1jht s HIS 93 CO 0.27 0.08 -0.22 0.99 -0.85 0.00 0.00 174.74 175.01 1jht s THR 94 N -3.27 1.79 -0.09 1.30 2.01 -1.26 -2.00 115.64 114.13 1jht s THR 94 Ca 0.16 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1jht s THR 94 Cb 0.02 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1jht s THR 94 CO 0.01 0.50 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.55 1jht s VAL 95 N -0.09 2.45 0.00 3.82 1.01 0.21 0.67 120.40 128.47 1jht s VAL 95 Ca -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1jht s VAL 95 Cb -0.13 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1jht s VAL 95 CO 0.03 0.56 -0.10 -1.10 0.00 0.00 0.00 175.10 174.49 1jht s GLN 96 N 0.06 0.77 -0.01 2.72 -0.21 -0.40 -0.35 119.66 122.25 1jht s GLN 96 Ca -0.08 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1jht s GLN 96 Cb -0.15 -0.74 0.00 0.00 1.00 0.00 0.00 33.01 33.12 1jht s GLN 96 CO 0.05 0.20 -0.02 0.50 -2.12 0.00 0.00 175.29 173.90 1jht s ARG 97 N -0.45 0.24 -0.02 2.91 3.52 -0.21 -0.01 118.95 124.93 1jht s ARG 97 Ca 0.02 -0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1jht s ARG 97 Cb -0.05 -0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.10 1jht s ARG 97 CO -0.00 0.02 -0.01 1.41 -0.81 0.00 0.00 175.30 175.92 1jht s MET 98 N 0.13 0.24 0.05 5.12 1.75 -0.12 -0.16 119.30 126.31 1jht s MET 98 Ca -0.01 0.03 -0.18 0.00 -1.25 0.00 0.00 55.69 54.28 1jht s MET 98 Cb -0.03 -0.37 0.04 0.00 2.84 0.00 0.00 34.83 37.30 1jht s MET 98 CO -0.00 -0.08 0.43 1.52 -0.65 0.00 0.00 175.02 176.24 1jht s TYR 99 N 0.67 -0.28 -3.18 4.11 -0.85 -0.87 0.03 117.35 116.98 1jht s TYR 99 Ca -0.07 0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 1jht s TYR 99 Cb -0.10 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.48 1jht s TYR 99 CO -0.01 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 173.84 1jht n GLY 100 N 0.43 -1.42 3.02 5.49 0.00 -0.90 -0.50 105.19 111.30 1jht n GLY 100 Ca -0.18 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1jht n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jht s ASP 102 N -1.35 4.82 0.09 0.00 1.01 0.65 -1.23 116.67 120.65 1jht s ASP 102 Ca -0.10 -0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.03 1jht s ASP 102 Cb -0.09 -1.13 -0.03 0.00 1.01 0.00 0.00 42.92 42.68 1jht s ASP 102 CO -0.00 0.23 -0.12 0.68 0.21 0.00 0.00 175.17 176.16 1jht s VAL 103 N -1.16 1.06 0.28 -1.27 -7.23 0.65 -0.84 120.40 111.89 1jht s VAL 103 Ca 0.21 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 1jht s VAL 103 Cb -0.11 -1.20 0.06 0.00 0.56 0.00 0.00 36.38 35.69 1jht s VAL 103 CO 0.13 -0.37 0.38 0.61 -0.31 0.00 0.00 175.10 175.55 1jht n GLY 104 N 0.95 -1.03 0.18 2.32 0.00 -0.70 -1.51 105.19 105.40 1jht n GLY 104 Ca -0.19 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1jht n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jht h SER 105 N -0.48 0.00 -0.58 1.61 0.02 -1.91 0.77 113.55 112.98 1jht h SER 105 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1jht h SER 105 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jht h SER 105 CO 0.09 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.88 1jht n ASP 106 N -2.34 4.31 -1.96 3.07 5.75 -1.26 -4.78 116.55 119.34 1jht n ASP 106 Ca -0.01 -2.41 -0.15 0.00 -0.01 0.00 0.00 54.79 52.21 1jht n ASP 106 Cb 0.06 -0.55 -0.04 0.00 -1.03 0.00 0.00 41.12 39.57 1jht n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1jht n TRP 107 N 0.97 -0.79 -4.23 2.11 7.02 0.27 -4.96 117.44 117.84 1jht n TRP 107 Ca 0.23 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.39 1jht n TRP 107 Cb 0.81 -3.03 -0.08 0.00 -2.42 0.00 0.00 31.31 26.59 1jht n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1jht s ARG 108 N -4.21 2.76 0.07 -0.99 0.52 -1.26 -4.83 118.95 111.00 1jht s ARG 108 Ca 0.00 -0.65 -0.36 0.00 -0.52 0.00 0.00 55.73 54.19 1jht s ARG 108 Cb 0.00 -2.66 -0.19 0.00 0.52 0.00 0.00 34.95 32.63 1jht s ARG 108 CO 0.00 0.61 0.97 0.34 0.02 0.00 0.00 175.30 177.23 1jht n PHE 109 N 1.16 0.50 0.00 -0.53 7.35 -1.26 -1.72 117.46 122.95 1jht n PHE 109 Ca -0.13 0.98 0.00 0.00 -0.76 0.00 0.00 57.45 57.53 1jht n PHE 109 Cb 0.52 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 38.26 1jht n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1jht n LEU 110 N 1.73 0.32 -3.63 -2.13 7.94 -0.02 -4.74 117.00 116.47 1jht n LEU 110 Ca 0.19 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.96 1jht n LEU 110 Cb 0.14 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.04 1jht n LEU 110 CO 0.60 -0.02 0.20 -0.13 -1.11 0.00 0.00 177.39 176.93 1jht s ARG 111 N -1.98 0.98 0.14 1.96 0.52 -1.07 -4.99 118.95 114.51 1jht s ARG 111 Ca 0.00 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1jht s ARG 111 Cb 0.00 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.87 1jht s ARG 111 CO 0.00 -0.35 -0.08 0.20 0.02 0.00 0.00 175.30 175.08 1jht s GLY 112 N -2.11 1.01 0.01 -3.53 0.00 -1.26 -0.25 107.32 101.19 1jht s GLY 112 Ca -0.04 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.92 1jht s GLY 112 CO -0.04 -1.56 0.66 -2.52 0.00 0.00 0.00 173.10 169.65 1jht s TYR 113 N -3.42 -0.62 -0.29 1.90 -0.85 -0.93 -4.84 117.35 108.30 1jht s TYR 113 Ca 0.16 0.87 0.03 0.00 -0.52 0.00 0.00 57.07 57.61 1jht s TYR 113 Cb 0.03 0.46 0.18 0.00 0.38 0.00 0.00 41.96 43.01 1jht s TYR 113 CO -0.00 -0.68 0.52 -1.58 -1.52 0.00 0.00 175.55 172.28 1jht s HIS 114 N -1.99 -1.48 0.14 -3.49 2.46 -1.25 -2.13 115.29 107.55 1jht s HIS 114 Ca -0.07 0.93 0.11 0.00 0.47 0.00 0.00 55.06 56.50 1jht s HIS 114 Cb -0.00 0.19 -0.04 0.00 -0.13 0.00 0.00 32.58 32.59 1jht s HIS 114 CO 0.03 -1.00 -0.25 -0.65 -2.47 0.00 0.00 174.74 170.40 1jht s GLN 115 N 2.72 1.46 -0.02 2.88 -0.21 0.10 -1.67 119.66 124.94 1jht s GLN 115 Ca 0.12 -1.35 0.01 0.00 0.02 0.00 0.00 55.36 54.15 1jht s GLN 115 Cb -0.12 -1.92 0.01 0.00 1.00 0.00 0.00 33.01 31.98 1jht s GLN 115 CO -0.26 0.45 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.86 1jht s TYR 116 N -1.16 0.41 0.06 0.91 6.14 0.07 -0.94 117.35 122.84 1jht s TYR 116 Ca 0.15 -0.07 0.05 0.00 0.64 0.00 0.00 57.07 57.84 1jht s TYR 116 Cb -0.10 -0.34 -0.03 0.00 0.42 0.00 0.00 41.96 41.91 1jht s TYR 116 CO 0.07 -0.06 -0.14 0.00 0.64 0.00 0.00 175.55 176.06 1jht s ALA 117 N 0.33 1.16 -0.11 3.97 0.00 0.99 -1.24 121.76 126.86 1jht s ALA 117 Ca -0.03 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1jht s ALA 117 Cb -0.07 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1jht s ALA 117 CO -0.01 0.18 -0.19 -0.47 0.00 0.00 0.00 175.76 175.28 1jht s TYR 118 N -1.12 2.28 -1.38 0.00 5.04 -0.06 -1.27 117.35 120.83 1jht s TYR 118 Ca -0.01 -1.06 -0.02 0.00 -2.44 0.00 0.00 57.07 53.54 1jht s TYR 118 Cb -0.09 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.65 1jht s TYR 118 CO 0.02 -0.50 0.60 -0.25 -1.34 0.00 0.00 175.55 174.08 1jht n ASP 119 N 4.00 -1.11 -0.20 4.32 8.00 0.21 -2.27 116.55 129.51 1jht n ASP 119 Ca -0.20 -0.91 -0.03 0.00 0.71 0.00 0.00 54.79 54.37 1jht n ASP 119 Cb 0.52 -3.55 -0.01 0.00 -0.02 0.00 0.00 41.12 38.05 1jht n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jht n GLY 120 N -1.76 0.52 3.08 0.44 0.00 -1.26 -4.99 105.19 101.22 1jht n GLY 120 Ca -0.27 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1jht n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jht s LYS 121 N -1.39 0.73 0.19 1.61 1.02 -0.96 -5.11 119.74 115.82 1jht s LYS 121 Ca 0.00 -0.64 -0.32 0.00 0.02 0.00 0.00 55.97 55.03 1jht s LYS 121 Cb 0.00 -0.66 -0.15 0.00 -0.52 0.00 0.00 37.83 36.49 1jht s LYS 121 CO 0.00 0.16 1.13 -0.25 -0.92 0.00 0.00 175.35 175.47 1jht n ASP 122 N 2.01 1.29 0.02 2.83 8.00 -1.26 -0.88 116.55 128.56 1jht n ASP 122 Ca -0.18 1.15 -0.02 0.00 0.71 0.00 0.00 54.79 56.45 1jht n ASP 122 Cb 0.55 -1.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 1jht n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jht n TYR 123 N 1.28 0.00 -3.61 1.24 9.36 -0.37 -4.68 117.16 120.38 1jht n TYR 123 Ca 0.14 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 1jht n TYR 123 Cb 0.26 -0.08 -0.06 0.00 -0.63 0.00 0.00 39.34 38.83 1jht n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1jht s ILE 124 N -2.11 0.04 -0.03 2.97 2.07 -1.03 -1.02 121.20 122.10 1jht s ILE 124 Ca -0.04 -0.32 -0.29 0.00 -1.41 0.00 0.00 60.65 58.59 1jht s ILE 124 Cb 0.01 -0.96 0.09 0.00 0.13 0.00 0.00 42.46 41.73 1jht s ILE 124 CO 0.06 -0.18 0.80 0.00 -1.91 0.00 0.00 174.94 173.71 1jht s ALA 125 N -2.43 -1.79 0.37 1.50 0.00 -1.01 -0.75 121.76 117.64 1jht s ALA 125 Ca -0.05 1.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 1jht s ALA 125 Cb -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1jht s ALA 125 CO -0.02 -0.51 1.00 -0.51 0.00 0.00 0.00 175.76 175.72 1jht s LEU 126 N -1.80 4.22 0.71 0.00 1.43 -0.67 -0.74 118.68 121.82 1jht s LEU 126 Ca -0.02 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1jht s LEU 126 Cb -0.01 -4.12 0.01 0.00 0.03 0.00 0.00 46.19 42.11 1jht s LEU 126 CO -0.01 -0.30 1.07 -0.54 0.23 0.00 0.00 176.35 176.79 1jht s LYS 127 N -2.33 2.86 0.65 1.70 1.02 -0.25 -4.72 119.74 118.68 1jht s LYS 127 Ca 0.54 0.78 0.29 0.00 0.02 0.00 0.00 55.97 57.61 1jht s LYS 127 Cb -0.20 -2.00 1.58 0.00 -0.52 0.00 0.00 37.83 36.70 1jht s LYS 127 CO 0.26 -1.10 1.91 1.05 -0.92 0.00 0.00 175.35 176.54 1jht h GLU 128 N -0.72 0.00 -0.00 1.68 9.09 -1.91 0.35 114.58 123.08 1jht h GLU 128 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1jht h GLU 128 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1jht h GLU 128 CO 0.59 0.00 -0.01 -0.40 0.05 0.00 0.00 179.01 179.25 1jht n ASP 129 N -3.08 0.48 -1.94 3.06 5.75 -1.26 -4.73 116.55 114.83 1jht n ASP 129 Ca 0.00 -1.11 -0.13 0.00 -0.01 0.00 0.00 54.79 53.54 1jht n ASP 129 Cb 0.44 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1jht n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jht n LEU 130 N -0.65 -1.12 -0.00 -2.12 4.77 0.12 -4.78 117.00 113.23 1jht n LEU 130 Ca 0.22 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1jht n LEU 130 Cb 0.20 -2.14 -0.01 0.00 -2.33 0.00 0.00 43.42 39.14 1jht n LEU 130 CO 0.18 -0.41 -0.43 0.54 -1.33 0.00 0.00 177.39 175.95 1jht n ARG 131 N -2.38 1.11 -4.26 3.23 1.74 -1.26 -4.56 116.66 110.28 1jht n ARG 131 Ca -0.15 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.79 1jht n ARG 131 Cb 0.53 -0.94 -0.10 0.00 -1.02 0.00 0.00 32.46 30.93 1jht n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jht s SER 132 N -1.92 0.70 0.17 0.55 1.04 -1.26 -4.92 113.70 108.07 1jht s SER 132 Ca -0.00 -1.37 0.09 0.00 0.48 0.00 0.00 55.95 55.15 1jht s SER 132 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1jht s SER 132 CO 0.03 -0.77 -0.12 0.26 0.98 0.00 0.00 173.24 173.62 1jht s TRP 133 N -3.94 2.59 -0.27 5.02 0.52 -1.26 -1.09 118.94 120.52 1jht s TRP 133 Ca 0.37 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1jht s TRP 133 Cb 0.07 -1.28 0.05 0.00 -1.15 0.00 0.00 33.47 31.16 1jht s TRP 133 CO 0.12 0.50 -0.07 -0.08 0.02 0.00 0.00 176.95 177.44 1jht s THR 134 N -1.64 2.53 -0.13 2.01 -1.32 0.08 -4.88 115.64 112.29 1jht s THR 134 Ca 0.24 -1.45 -0.15 0.00 -1.21 0.00 0.00 61.69 59.12 1jht s THR 134 Cb -0.09 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 1jht s THR 134 CO 0.14 -0.01 0.34 0.00 -2.21 0.00 0.00 174.62 172.89 1jht s ALA 135 N 1.19 3.59 0.25 11.08 0.00 -1.26 -2.39 121.76 134.21 1jht s ALA 135 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1jht s ALA 135 Cb -0.19 -2.43 0.30 0.00 0.00 0.00 0.00 23.12 20.80 1jht s ALA 135 CO -0.04 0.15 1.62 0.00 0.00 0.00 0.00 175.76 177.49 1jht h ALA 136 N 6.33 0.94 -2.77 0.00 0.00 -1.35 -3.47 119.26 118.93 1jht h ALA 136 Ca -0.43 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1jht h ALA 136 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jht h ALA 136 CO 0.73 0.64 0.00 -0.40 0.00 0.00 0.00 179.25 180.22 1jht n ASP 137 N -4.00 0.00 -0.16 0.00 5.68 -1.26 -5.04 116.55 111.78 1jht n ASP 137 Ca -0.02 -0.67 -0.11 0.00 -0.50 0.00 0.00 54.79 53.50 1jht n ASP 137 Cb 0.52 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1jht n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1jht h MET 138 N 0.00 0.89 -0.74 0.11 2.86 -1.99 -2.73 114.93 113.33 1jht h MET 138 Ca 0.00 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.25 1jht h MET 138 Cb 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1jht h MET 138 CO 0.00 0.99 0.26 0.00 1.06 0.00 0.00 176.91 179.21 1jht h ALA 139 N 0.88 0.97 0.00 6.32 0.00 -1.97 -2.52 119.26 122.94 1jht h ALA 139 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jht h ALA 139 Cb 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jht h ALA 139 CO 0.05 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1jht h ALA 140 N 1.13 1.00 -0.62 0.00 0.00 -1.84 -2.72 119.26 116.20 1jht h ALA 140 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1jht h ALA 140 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jht h ALA 140 CO -0.01 0.00 0.20 1.96 0.00 0.00 0.00 179.25 181.40 1jht h GLN 141 N 0.00 0.94 -0.67 0.00 1.08 -1.13 -1.13 115.11 114.19 1jht h GLN 141 Ca 0.00 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.05 1jht h GLN 141 Cb 0.40 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 1jht h GLN 141 CO 0.00 0.80 0.42 1.15 -0.95 0.00 0.00 178.83 180.25 1jht h THR 142 N 0.91 1.08 -0.53 -0.54 2.02 -1.58 -0.06 112.91 114.23 1jht h THR 142 Ca 0.21 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1jht h THR 142 Cb 0.25 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1jht h THR 142 CO -0.01 0.15 -0.11 0.74 0.37 0.00 0.00 175.52 176.65 1jht h THR 143 N 0.81 1.27 -0.68 3.16 2.02 -1.55 -2.21 112.91 115.73 1jht h THR 143 Ca 0.27 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.20 1jht h THR 143 Cb 0.03 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1jht h THR 143 CO -0.11 0.44 0.45 0.50 0.37 0.00 0.00 175.52 177.17 1jht h LYS 144 N 0.88 0.89 -0.39 6.66 3.64 -0.46 -0.69 116.57 127.10 1jht h LYS 144 Ca 0.14 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1jht h LYS 144 Cb 0.67 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1jht h LYS 144 CO 0.05 0.59 -0.27 0.45 -2.27 0.00 0.00 179.45 178.00 1jht h HIS 145 N 0.92 0.94 -0.36 1.91 3.86 -0.87 -0.96 115.15 120.60 1jht h HIS 145 Ca 0.25 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1jht h HIS 145 Cb -0.10 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 1jht h HIS 145 CO -0.03 0.99 0.07 0.87 0.86 0.00 0.00 177.93 180.70 1jht h LYS 146 N 0.70 0.58 -0.05 2.45 1.57 -1.05 -1.79 116.57 118.98 1jht h LYS 146 Ca 0.09 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1jht h LYS 146 Cb 0.81 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1jht h LYS 146 CO 0.07 0.64 -0.57 -1.49 -0.57 0.00 0.00 179.45 177.53 1jht h TRP 147 N 0.43 0.19 -0.20 -1.35 4.06 -1.04 -1.90 115.95 116.14 1jht h TRP 147 Ca 0.11 -0.07 -0.12 0.00 2.06 0.00 0.00 58.89 60.87 1jht h TRP 147 Cb 0.33 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1jht h TRP 147 CO 0.02 0.69 -0.33 0.93 -3.56 0.00 0.00 178.44 176.18 1jht h GLU 148 N 0.12 0.58 0.00 0.49 5.08 -1.12 -0.52 114.58 119.20 1jht h GLU 148 Ca -0.00 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1jht h GLU 148 Cb 1.04 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1jht h GLU 148 CO 0.08 0.96 -0.24 0.00 -1.00 0.00 0.00 179.01 178.82 1jht h ALA 149 N 0.61 1.53 -0.07 3.43 0.00 -1.23 -1.65 119.26 121.88 1jht h ALA 149 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jht h ALA 149 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jht h ALA 149 CO 0.08 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1jht n ALA 150 N -2.46 2.54 -3.72 0.00 0.00 -0.72 -4.95 120.51 111.19 1jht n ALA 150 Ca -0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 1jht n ALA 150 Cb 0.30 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.73 1jht n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jht n HIS 151 N 0.45 -2.56 -0.10 0.00 -0.00 -0.62 -4.92 115.22 107.47 1jht n HIS 151 Ca 0.18 0.96 -0.09 0.00 -0.00 0.00 0.00 57.72 58.77 1jht n HIS 151 Cb 0.40 -4.59 -0.01 0.00 -0.00 0.00 0.00 29.99 25.78 1jht n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1jht h VAL 152 N -2.36 1.11 -1.00 1.59 2.07 -1.37 -3.11 116.25 113.18 1jht h VAL 152 Ca -0.58 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 66.84 1jht h VAL 152 Cb 1.37 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 1jht h VAL 152 CO 0.60 0.11 0.61 0.00 0.02 0.00 0.00 177.57 178.91 1jht h ALA 153 N 1.08 1.60 -0.17 1.67 0.00 -1.90 -2.04 119.26 119.50 1jht h ALA 153 Ca 0.12 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jht h ALA 153 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jht h ALA 153 CO -0.02 0.03 0.01 0.93 0.00 0.00 0.00 179.25 180.20 1jht h GLU 154 N 0.83 0.07 -0.38 0.00 3.07 -1.80 0.34 114.58 116.71 1jht h GLU 154 Ca 0.55 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.31 1jht h GLU 154 Cb 0.77 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1jht h GLU 154 CO -0.35 0.05 -0.17 0.37 -1.40 0.00 0.00 179.01 177.51 1jht h GLN 155 N 0.08 0.71 -0.50 2.33 -0.00 -1.52 -2.00 115.11 114.20 1jht h GLN 155 Ca 0.08 -0.26 -0.09 0.00 -0.00 0.00 0.00 58.65 58.38 1jht h GLN 155 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 1jht h GLN 155 CO -0.12 0.84 -0.05 -0.07 0.00 0.00 0.00 178.83 179.43 1jht h LEU 156 N 0.63 0.92 -0.61 -2.39 3.38 -0.87 -2.75 115.31 113.62 1jht h LEU 156 Ca 0.10 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1jht h LEU 156 Cb 0.65 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1jht h LEU 156 CO 0.05 1.03 0.31 -0.09 0.09 0.00 0.00 178.44 179.82 1jht h ARG 157 N 0.78 0.87 -0.95 1.13 2.43 -0.16 0.27 114.38 118.75 1jht h ARG 157 Ca 0.14 -0.12 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1jht h ARG 157 Cb 0.59 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 1jht h ARG 157 CO 0.04 0.68 0.61 0.00 -1.51 0.00 0.00 179.97 179.79 1jht h ALA 158 N 1.14 1.54 0.25 2.80 0.00 -1.21 -0.03 119.26 123.76 1jht h ALA 158 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jht h ALA 158 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jht h ALA 158 CO -0.03 0.27 -0.12 -0.92 0.00 0.00 0.00 179.25 178.45 1jht h TYR 159 N 1.00 -0.32 -0.49 0.00 3.20 -1.11 -2.51 116.97 116.75 1jht h TYR 159 Ca 0.44 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.39 1jht h TYR 159 Cb 0.36 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1jht h TYR 159 CO -0.00 0.05 0.33 -0.07 -1.64 0.00 0.00 178.16 176.83 1jht h LEU 160 N -0.90 0.25 0.00 2.82 3.38 -0.62 0.18 115.31 120.41 1jht h LEU 160 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jht h LEU 160 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jht h LEU 160 CO 0.06 0.15 -1.22 -0.62 0.09 0.00 0.00 178.44 176.90 1jht n GLU 161 N -4.46 0.49 0.00 1.13 1.02 -0.05 -4.40 120.64 114.36 1jht n GLU 161 Ca 0.08 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1jht n GLU 161 Cb 0.36 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1jht n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jht n GLY 162 N 1.27 0.14 0.24 0.62 0.00 -0.94 -4.70 105.19 101.82 1jht n GLY 162 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1jht n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jht h THR 163 N 0.00 0.52 -0.32 2.61 2.02 -1.58 0.14 112.91 116.30 1jht h THR 163 Ca 0.00 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1jht h THR 163 Cb 0.00 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1jht h THR 163 CO 0.00 0.03 0.12 0.00 0.37 0.00 0.00 175.52 176.04 1jht h VAL 165 N 0.27 1.23 -0.15 0.00 2.07 -1.45 -1.54 116.25 116.68 1jht h VAL 165 Ca 0.14 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1jht h VAL 165 Cb 0.10 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1jht h VAL 165 CO -0.13 0.34 0.02 -0.33 0.02 0.00 0.00 177.57 177.48 1jht h GLU 166 N 0.53 0.25 -0.82 1.57 5.08 -0.15 -0.83 114.58 120.22 1jht h GLU 166 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jht h GLU 166 Cb 0.48 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1jht h GLU 166 CO 0.03 0.45 0.43 -1.49 -1.00 0.00 0.00 179.01 177.43 1jht h TRP 167 N 0.02 1.13 -0.20 4.33 4.06 -1.04 -0.90 115.95 123.34 1jht h TRP 167 Ca 0.04 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.97 1jht h TRP 167 Cb 0.33 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1jht h TRP 167 CO 0.02 0.80 0.11 1.25 -3.56 0.00 0.00 178.44 177.07 1jht h LEU 168 N 1.15 0.19 -0.28 -4.49 5.85 -1.03 0.14 115.31 116.83 1jht h LEU 168 Ca 0.29 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1jht h LEU 168 Cb 0.06 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1jht h LEU 168 CO -0.04 0.14 0.05 0.03 -0.34 0.00 0.00 178.44 178.27 1jht h ARG 169 N 0.24 0.15 -0.40 1.25 3.08 -0.74 0.28 114.38 118.24 1jht h ARG 169 Ca 0.08 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1jht h ARG 169 Cb -0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 1jht h ARG 169 CO -0.04 0.10 0.08 -0.09 -1.07 0.00 0.00 179.97 178.95 1jht h ARG 170 N 0.15 0.21 -0.43 0.04 2.43 -0.58 -1.14 114.38 115.05 1jht h ARG 170 Ca 0.13 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1jht h ARG 170 Cb 0.14 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1jht h ARG 170 CO -0.18 0.14 0.14 1.88 -1.51 0.00 0.00 179.97 180.44 1jht h TYR 171 N 0.21 0.69 -0.61 2.20 0.05 -0.22 0.24 116.97 119.54 1jht h TYR 171 Ca 0.19 -0.07 0.07 0.00 0.05 0.00 0.00 58.73 58.97 1jht h TYR 171 Cb 0.23 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 1jht h TYR 171 CO -0.20 0.63 0.41 -0.07 -1.05 0.00 0.00 178.16 177.88 1jht h LEU 172 N 0.55 0.49 0.43 3.88 3.38 -0.53 0.24 115.31 123.76 1jht h LEU 172 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1jht h LEU 172 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jht h LEU 172 CO -0.00 0.31 -0.21 -0.33 0.09 0.00 0.00 178.44 178.30 1jht h GLU 173 N 0.55 -0.56 -0.44 1.13 4.39 -0.62 -1.85 114.58 117.18 1jht h GLU 173 Ca 0.27 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.08 1jht h GLU 173 Cb 0.34 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1jht h GLU 173 CO -0.08 -0.37 0.30 -0.91 -1.16 0.00 0.00 179.01 176.79 1jht h ASN 174 N -1.11 0.24 -0.57 1.42 -0.26 -0.72 -1.84 115.58 112.74 1jht h ASN 174 Ca -0.06 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.36 1jht h ASN 174 Cb 0.44 -0.05 -0.19 0.00 -1.06 0.00 0.00 38.32 37.47 1jht h ASN 174 CO 0.10 0.15 0.09 0.61 -1.06 0.00 0.00 177.43 177.32 1jht n GLY 175 N -1.54 5.02 0.24 2.83 0.00 0.84 -4.75 105.19 107.83 1jht n GLY 175 Ca 0.06 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.70 1jht n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jht h LYS 176 N 1.17 0.13 -0.05 1.61 3.64 -0.44 0.34 116.57 122.97 1jht h LYS 176 Ca 0.35 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1jht h LYS 176 Cb 1.84 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1jht h LYS 176 CO 0.67 0.09 0.24 0.93 -2.27 0.00 0.00 179.45 179.11 1jht h GLU 177 N 0.13 0.00 0.00 1.90 5.08 -1.85 -1.81 114.58 118.03 1jht h GLU 177 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1jht h GLU 177 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jht h GLU 177 CO -0.53 0.00 -0.97 0.25 -1.00 0.00 0.00 179.01 176.77 1jht n THR 178 N -3.10 0.00 0.02 1.13 -2.24 -0.54 -4.74 114.28 104.80 1jht n THR 178 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1jht n THR 178 Cb 0.31 -0.90 0.10 0.00 -2.10 0.00 0.00 70.33 67.74 1jht n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jht h LEU 179 N 0.00 0.52 -4.28 3.22 3.38 -0.41 -3.17 115.31 114.57 1jht h LEU 179 Ca 0.00 -0.26 -0.65 0.00 0.09 0.00 0.00 57.88 57.06 1jht h LEU 179 Cb 0.97 -0.15 -0.26 0.00 0.09 0.00 0.00 40.66 41.31 1jht h LEU 179 CO 0.00 0.93 0.85 0.00 0.09 0.00 0.00 178.44 180.31 1jht n GLN 180 N -3.98 2.59 -4.48 1.13 6.02 -0.68 -4.93 117.38 113.05 1jht n GLN 180 Ca -0.02 -3.10 -0.25 0.00 -0.01 0.00 0.00 57.00 53.61 1jht n GLN 180 Cb 0.56 -2.20 -0.10 0.00 1.02 0.00 0.00 30.24 29.52 1jht n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1jht s ARG 181 N -3.53 1.87 -0.14 -1.09 1.70 -1.20 -4.92 118.95 111.64 1jht s ARG 181 Ca 0.57 -1.87 -0.04 0.00 -0.47 0.00 0.00 55.73 53.92 1jht s ARG 181 Cb 0.45 -1.77 0.07 0.00 -0.57 0.00 0.00 34.95 33.12 1jht s ARG 181 CO -0.15 0.16 0.22 0.99 -1.08 0.00 0.00 175.30 175.45 1jht s THR 182 N -2.57 -0.34 -0.35 4.99 2.01 -1.26 -4.63 115.64 113.49 1jht s THR 182 Ca 0.33 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 1jht s THR 182 Cb 0.01 -0.46 0.03 0.00 0.01 0.00 0.00 72.50 72.08 1jht s THR 182 CO 0.17 0.03 0.14 -1.81 -0.69 0.00 0.00 174.62 172.46 1jht s ASP 183 N 2.35 5.45 0.46 3.53 1.01 -0.22 -4.93 116.67 124.32 1jht s ASP 183 Ca 0.04 -1.02 -0.25 0.00 0.71 0.00 0.00 52.55 52.02 1jht s ASP 183 Cb -0.13 -1.93 -0.08 0.00 1.01 0.00 0.00 42.92 41.79 1jht s ASP 183 CO -0.09 -0.33 1.36 0.00 0.21 0.00 0.00 175.17 176.33 1jht s ALA 184 N 1.47 3.15 0.32 5.23 0.00 -1.26 -1.79 121.76 128.89 1jht s ALA 184 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1jht s ALA 184 Cb -0.19 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1jht s ALA 184 CO 0.04 -1.09 1.26 -1.25 0.00 0.00 0.00 175.76 174.73 1jht s PRO 185 N -2.49 4.42 -0.26 0.00 0.04 -1.26 -4.54 135.00 130.92 1jht s PRO 185 Ca 0.62 2.12 -0.18 0.00 0.04 0.00 0.00 61.00 63.60 1jht s PRO 185 Cb -0.41 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1jht s PRO 185 CO 0.51 -0.10 0.53 0.15 0.04 0.00 0.00 177.00 178.13 1jht s LYS 186 N -1.69 4.08 0.28 4.56 1.02 0.24 -4.82 119.74 123.40 1jht s LYS 186 Ca 0.48 0.35 0.10 0.00 0.02 0.00 0.00 55.97 56.93 1jht s LYS 186 Cb -0.38 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.23 1jht s LYS 186 CO 0.50 -0.36 -0.08 0.95 -0.92 0.00 0.00 175.35 175.44 1jht s THR 187 N 2.32 2.97 0.07 2.17 -4.23 -1.26 -1.10 115.64 116.58 1jht s THR 187 Ca 0.22 -2.12 -0.28 0.00 -1.18 0.00 0.00 61.69 58.33 1jht s THR 187 Cb -0.16 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1jht s THR 187 CO 0.09 -0.37 1.13 -1.38 -0.54 0.00 0.00 174.62 173.56 1jht s HIS 188 N -2.42 -0.08 0.07 3.99 -3.43 -1.10 -5.01 115.29 107.31 1jht s HIS 188 Ca 0.31 -0.12 0.06 0.00 -0.80 0.00 0.00 55.06 54.51 1jht s HIS 188 Cb -0.05 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.66 1jht s HIS 188 CO 0.18 -0.54 -0.16 1.41 -2.00 0.00 0.00 174.74 173.63 1jht s MET 189 N -2.83 0.91 0.17 -0.38 1.75 -1.26 -0.62 119.30 117.04 1jht s MET 189 Ca 0.13 -0.97 0.09 0.00 -1.25 0.00 0.00 55.69 53.70 1jht s MET 189 Cb 0.02 -0.97 -0.04 0.00 2.84 0.00 0.00 34.83 36.68 1jht s MET 189 CO -0.01 0.22 -0.19 0.95 -0.65 0.00 0.00 175.02 175.35 1jht s THR 190 N -1.18 1.89 -0.06 10.11 -4.23 -0.36 -4.98 115.64 116.83 1jht s THR 190 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1jht s THR 190 Cb -0.10 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1jht s THR 190 CO 0.02 -0.31 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.46 1jht s HIS 191 N -2.06 0.94 -0.05 3.99 2.46 -1.26 -1.45 115.29 117.86 1jht s HIS 191 Ca 0.17 -0.32 -0.00 0.00 0.47 0.00 0.00 55.06 55.38 1jht s HIS 191 Cb -0.06 -0.81 0.03 0.00 -0.13 0.00 0.00 32.58 31.60 1jht s HIS 191 CO 0.07 -0.26 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.06 1jht s HIS 192 N 1.09 0.63 -0.34 3.88 3.76 -0.83 -5.00 115.29 118.47 1jht s HIS 192 Ca -0.08 -0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 1jht s HIS 192 Cb -0.14 -0.68 0.01 0.00 1.11 0.00 0.00 32.58 32.88 1jht s HIS 192 CO -0.01 -0.24 1.23 0.00 -0.85 0.00 0.00 174.74 174.87 1jht s ALA 193 N 1.42 3.34 -0.01 -1.40 0.00 -1.26 -0.68 121.76 123.17 1jht s ALA 193 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 1jht s ALA 193 Cb -0.13 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 1jht s ALA 193 CO -0.03 -1.83 0.68 0.28 0.00 0.00 0.00 175.76 174.87 1jht h VAL 194 N 5.99 0.00 -3.11 0.00 2.07 -1.60 -3.48 116.25 116.11 1jht h VAL 194 Ca -0.24 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1jht h VAL 194 Cb 1.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1jht h VAL 194 CO 1.05 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.10 1jht n SER 195 N -3.41 1.97 -0.21 0.57 3.41 -1.04 -4.99 113.62 109.93 1jht n SER 195 Ca -0.04 -0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.59 1jht n SER 195 Cb 0.13 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.48 1jht n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jht n ASP 196 N -0.11 0.90 0.00 4.04 9.92 -1.26 -3.79 116.55 126.25 1jht n ASP 196 Ca 0.00 -0.79 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 1jht n ASP 196 Cb 0.00 0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1jht n ASP 196 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1jht n HIS 197 N -0.76 0.00 -3.93 1.24 8.25 -1.26 -4.90 115.22 113.86 1jht n HIS 197 Ca 0.12 -0.15 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 1jht n HIS 197 Cb 0.34 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.32 1jht n HIS 197 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1jht s GLU 198 N -0.30 0.26 -0.04 -0.41 2.12 -1.25 -1.21 118.70 117.87 1jht s GLU 198 Ca 0.00 -0.38 -0.06 0.00 0.36 0.00 0.00 54.97 54.89 1jht s GLU 198 Cb 0.00 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.50 1jht s GLU 198 CO 0.00 -0.05 0.15 0.00 -0.54 0.00 0.00 175.26 174.82 1jht s ALA 199 N -1.00 -0.37 -0.19 6.30 0.00 0.69 -1.49 121.76 125.71 1jht s ALA 199 Ca -0.11 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 1jht s ALA 199 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1jht s ALA 199 CO -0.00 -0.13 0.00 -0.08 0.00 0.00 0.00 175.76 175.55 1jht s THR 200 N -0.51 4.06 -0.23 0.00 -1.32 0.15 0.11 115.64 117.91 1jht s THR 200 Ca -0.06 -0.28 -0.09 0.00 -1.21 0.00 0.00 61.69 60.05 1jht s THR 200 Cb -0.04 -2.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.08 1jht s THR 200 CO 0.01 0.44 0.11 -0.76 -2.21 0.00 0.00 174.62 172.21 1jht s LEU 201 N 0.80 3.86 -0.15 9.08 1.43 0.37 -1.96 118.68 132.11 1jht s LEU 201 Ca 0.01 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1jht s LEU 201 Cb -0.14 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1jht s LEU 201 CO 0.02 0.07 -0.09 -0.60 0.23 0.00 0.00 176.35 175.98 1jht s ARG 202 N 1.02 3.50 -0.27 1.70 3.52 -0.53 -0.51 118.95 127.38 1jht s ARG 202 Ca 0.06 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 1jht s ARG 202 Cb -0.14 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1jht s ARG 202 CO 0.04 0.19 0.09 0.00 -0.81 0.00 0.00 175.30 174.81 1jht s TRP 204 N 1.62 3.41 -0.08 0.00 0.52 0.20 -1.61 118.94 123.00 1jht s TRP 204 Ca 0.06 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.48 1jht s TRP 204 Cb -0.16 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1jht s TRP 204 CO 0.04 0.61 -0.03 0.00 0.02 0.00 0.00 176.95 177.59 1jht s ALA 205 N -1.17 0.89 0.19 0.98 0.00 -0.52 -2.70 121.76 119.43 1jht s ALA 205 Ca 0.22 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1jht s ALA 205 Cb -0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1jht s ALA 205 CO 0.12 -0.38 -0.04 -0.51 0.00 0.00 0.00 175.76 174.94 1jht s LEU 206 N 1.75 2.32 -1.53 0.00 1.43 -0.26 -1.75 118.68 120.64 1jht s LEU 206 Ca 0.03 -1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 51.89 1jht s LEU 206 Cb -0.13 -0.29 0.08 0.00 0.03 0.00 0.00 46.19 45.88 1jht s LEU 206 CO -0.05 -0.44 0.73 -1.20 0.23 0.00 0.00 176.35 175.61 1jht n SER 207 N -0.32 -2.66 -4.64 2.29 7.64 -0.99 -0.59 113.62 114.34 1jht n SER 207 Ca -0.07 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.63 1jht n SER 207 Cb 0.62 -3.28 -0.08 0.00 -1.01 0.00 0.00 64.21 60.47 1jht n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1jht s PHE 208 N -3.52 2.74 -0.23 1.43 -0.71 -1.07 -4.57 117.98 112.05 1jht s PHE 208 Ca 0.44 -0.19 -0.17 0.00 -1.04 0.00 0.00 56.93 55.96 1jht s PHE 208 Cb -0.23 -1.28 0.06 0.00 -1.21 0.00 0.00 43.02 40.36 1jht s PHE 208 CO 0.88 0.56 0.58 -0.47 -1.34 0.00 0.00 175.22 175.43 1jht s TYR 209 N -1.99 -0.75 1.16 3.49 5.04 -0.74 -0.36 117.35 123.21 1jht s TYR 209 Ca 0.29 1.67 -0.19 0.00 -2.44 0.00 0.00 57.07 56.40 1jht s TYR 209 Cb -0.08 0.34 0.28 0.00 0.35 0.00 0.00 41.96 42.84 1jht s TYR 209 CO 0.19 -0.37 1.16 -1.25 -1.34 0.00 0.00 175.55 173.94 1jht s PRO 210 N 0.85 -0.94 0.49 4.97 0.04 -1.26 -1.05 135.00 138.09 1jht s PRO 210 Ca -0.04 -0.20 0.19 0.00 0.04 0.00 0.00 61.00 60.99 1jht s PRO 210 Cb -0.05 -1.64 1.21 0.00 0.04 0.00 0.00 34.50 34.06 1jht s PRO 210 CO -0.07 -3.50 2.05 0.00 0.04 0.00 0.00 177.00 175.52 1jht h ALA 211 N -2.42 1.61 -2.20 8.56 0.00 -1.96 -3.44 119.26 119.40 1jht h ALA 211 Ca -0.44 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 1jht h ALA 211 Cb 1.27 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.09 1jht h ALA 211 CO 0.33 0.17 0.84 -1.91 0.00 0.00 0.00 179.25 178.67 1jht n GLU 212 N -4.13 2.11 -3.56 0.00 4.07 -1.26 -4.95 120.64 112.91 1jht n GLU 212 Ca -0.02 0.76 -0.09 0.00 -0.06 0.00 0.00 57.16 57.75 1jht n GLU 212 Cb 0.21 -2.54 -0.04 0.00 -0.06 0.00 0.00 31.44 29.02 1jht n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1jht s ILE 213 N 1.46 0.00 -0.11 6.31 2.07 -1.26 -4.70 121.20 124.96 1jht s ILE 213 Ca 0.82 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 1jht s ILE 213 Cb -0.69 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.92 1jht s ILE 213 CO 0.41 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.44 1jht s THR 214 N -1.86 1.22 -0.24 4.00 2.01 -0.47 -5.00 115.64 115.30 1jht s THR 214 Ca 0.02 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1jht s THR 214 Cb -0.01 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.37 1jht s THR 214 CO -0.03 0.39 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.43 1jht s LEU 215 N 1.31 3.13 -0.02 4.42 1.43 -1.26 -1.18 118.68 126.52 1jht s LEU 215 Ca -0.01 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1jht s LEU 215 Cb -0.14 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1jht s LEU 215 CO -0.05 -0.14 -0.18 0.42 0.23 0.00 0.00 176.35 176.63 1jht s THR 216 N 1.22 1.45 0.13 5.49 -4.23 -0.53 -4.95 115.64 114.22 1jht s THR 216 Ca -0.03 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1jht s THR 216 Cb -0.17 -1.21 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1jht s THR 216 CO -0.06 0.41 0.32 0.26 -0.54 0.00 0.00 174.62 175.01 1jht s TRP 217 N -0.40 3.49 -0.07 3.99 0.52 -1.26 -0.36 118.94 124.85 1jht s TRP 217 Ca 0.06 0.40 -0.05 0.00 0.02 0.00 0.00 56.10 56.54 1jht s TRP 217 Cb -0.07 -1.89 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1jht s TRP 217 CO -0.00 0.47 0.17 -0.65 0.02 0.00 0.00 176.95 176.96 1jht s GLN 218 N -2.76 0.16 -0.34 4.98 -0.21 0.23 -2.28 119.66 119.44 1jht s GLN 218 Ca 0.38 0.34 0.01 0.00 0.02 0.00 0.00 55.36 56.12 1jht s GLN 218 Cb -0.12 -0.05 0.09 0.00 1.00 0.00 0.00 33.01 33.93 1jht s GLN 218 CO 0.27 -0.10 0.05 0.50 -2.12 0.00 0.00 175.29 173.89 1jht s ARG 219 N 0.71 1.93 -0.22 2.91 3.52 -1.00 0.15 118.95 126.95 1jht s ARG 219 Ca -0.05 -1.66 -0.01 0.00 -0.13 0.00 0.00 55.73 53.89 1jht s ARG 219 Cb -0.07 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1jht s ARG 219 CO -0.04 -0.85 0.18 -0.25 -0.81 0.00 0.00 175.30 173.54 1jht n ASP 220 N 4.44 -2.47 -1.51 -2.12 10.43 -0.78 -3.90 116.55 120.64 1jht n ASP 220 Ca -0.04 -0.13 -0.15 0.00 2.57 0.00 0.00 54.79 57.04 1jht n ASP 220 Cb 0.42 -1.40 -0.06 0.00 1.84 0.00 0.00 41.12 41.92 1jht n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jht n GLY 221 N -1.24 1.31 2.84 0.44 0.00 -1.26 -4.95 105.19 102.32 1jht n GLY 221 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1jht n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jht s GLU 222 N -3.41 0.29 0.35 1.61 -1.05 -1.25 -5.11 118.70 110.13 1jht s GLU 222 Ca 0.00 0.04 -0.23 0.00 -0.15 0.00 0.00 54.97 54.63 1jht s GLU 222 Cb 0.00 -0.44 -0.16 0.00 -0.44 0.00 0.00 34.13 33.10 1jht s GLU 222 CO 0.00 -0.10 0.28 -0.25 0.95 0.00 0.00 175.26 176.14 1jht n ASP 223 N 3.94 -2.09 -3.82 0.83 9.92 -1.26 -2.39 116.55 121.68 1jht n ASP 223 Ca -0.25 0.92 -0.12 0.00 -0.53 0.00 0.00 54.79 54.81 1jht n ASP 223 Cb 0.52 -0.94 -0.09 0.00 -0.64 0.00 0.00 41.12 39.97 1jht n ASP 223 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1jht s GLN 224 N -1.09 0.62 -0.03 -1.24 -0.44 -0.96 -4.74 119.66 111.77 1jht s GLN 224 Ca 0.61 -0.39 -0.01 0.00 -2.50 0.00 0.00 55.36 53.07 1jht s GLN 224 Cb -0.71 0.27 0.03 0.00 -1.64 0.00 0.00 33.01 30.95 1jht s GLN 224 CO 0.60 -0.17 0.07 0.99 0.50 0.00 0.00 175.29 177.29 1jht s THR 225 N -1.72 -0.04 0.00 -0.34 2.01 -1.26 -4.64 115.64 109.65 1jht s THR 225 Ca -0.11 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1jht s THR 225 Cb -0.05 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1jht s THR 225 CO 0.01 0.06 0.00 1.07 -0.69 0.00 0.00 174.62 175.07 1jht n THR 228 N 3.85 0.00 -3.93 -0.82 5.66 -1.26 -5.04 114.28 112.74 1jht n THR 228 Ca -0.23 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.41 1jht n THR 228 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 1jht n THR 228 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1jht s GLU 229 N -4.54 3.46 -0.07 1.09 2.12 0.16 -4.93 118.70 115.98 1jht s GLU 229 Ca 0.00 -0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.15 1jht s GLU 229 Cb 0.00 -3.16 0.03 0.00 0.26 0.00 0.00 34.13 31.25 1jht s GLU 229 CO 0.00 0.72 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.25 1jht s LEU 230 N -0.87 0.78 0.35 2.70 2.96 -1.26 0.03 118.68 123.37 1jht s LEU 230 Ca 0.14 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1jht s LEU 230 Cb -0.12 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1jht s LEU 230 CO 0.03 -0.16 0.58 0.68 -1.32 0.00 0.00 176.35 176.16 1jht s VAL 231 N 1.79 5.05 0.41 1.68 -7.23 -0.96 -5.04 120.40 116.09 1jht s VAL 231 Ca 0.03 -0.19 -0.26 0.00 -1.81 0.00 0.00 61.98 59.75 1jht s VAL 231 Cb -0.13 -3.82 -0.08 0.00 0.56 0.00 0.00 36.38 32.91 1jht s VAL 231 CO -0.05 -0.52 1.28 -0.70 -0.31 0.00 0.00 175.10 174.80 1jht s GLU 232 N -4.12 3.94 0.16 4.82 2.12 -1.26 -4.60 118.70 119.76 1jht s GLU 232 Ca 0.42 2.10 -0.31 0.00 0.36 0.00 0.00 54.97 57.54 1jht s GLU 232 Cb -0.10 -2.71 -0.11 0.00 0.26 0.00 0.00 34.13 31.47 1jht s GLU 232 CO 0.35 -0.50 1.70 0.99 -0.54 0.00 0.00 175.26 177.27 1jht s THR 233 N -1.29 2.41 0.12 -1.70 2.01 -1.26 -4.80 115.64 111.11 1jht s THR 233 Ca 0.58 0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.86 1jht s THR 233 Cb -0.37 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1jht s THR 233 CO 0.47 0.01 -0.24 0.00 -0.69 0.00 0.00 174.62 174.17 1jht s ARG 234 N 1.72 1.58 0.18 4.92 1.70 0.01 -4.94 118.95 124.11 1jht s ARG 234 Ca 0.75 -1.26 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 1jht s ARG 234 Cb -0.46 -1.98 -0.08 0.00 -0.57 0.00 0.00 34.95 31.86 1jht s ARG 234 CO 0.33 0.47 1.03 -1.25 -1.08 0.00 0.00 175.30 174.80 1jht s PRO 235 N -1.99 4.68 0.12 3.89 0.04 -1.26 -0.45 135.00 140.04 1jht s PRO 235 Ca 0.15 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1jht s PRO 235 Cb -0.10 -3.29 -0.14 0.00 0.04 0.00 0.00 34.50 31.00 1jht s PRO 235 CO 0.07 0.22 1.28 0.00 0.04 0.00 0.00 177.00 178.61 1jht h ALA 236 N 4.89 0.34 0.00 8.56 0.00 -1.09 -3.46 119.26 128.48 1jht h ALA 236 Ca -0.44 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1jht h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1jht h ALA 236 CO 0.71 0.98 0.00 0.41 0.00 0.00 0.00 179.25 181.34 1jht n GLY 237 N 1.17 1.02 0.46 0.00 0.00 -1.26 -4.95 105.19 101.64 1jht n GLY 237 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1jht n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jht n ASP 238 N 0.00 2.91 0.00 1.61 5.68 -1.26 -4.94 116.55 120.55 1jht n ASP 238 Ca 0.00 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.15 1jht n ASP 238 Cb 0.00 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 1jht n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jht n GLY 239 N -1.06 0.75 3.54 6.12 0.00 -1.26 -5.05 105.19 108.23 1jht n GLY 239 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1jht n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jht s THR 240 N -2.53 2.04 0.38 2.61 -4.23 -1.26 -4.81 115.64 107.84 1jht s THR 240 Ca 0.00 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1jht s THR 240 Cb 0.00 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 1jht s THR 240 CO 0.00 -0.15 0.03 -0.36 -0.54 0.00 0.00 174.62 173.60 1jht s PHE 241 N -2.73 2.29 0.06 3.99 0.40 0.52 -0.48 117.98 122.04 1jht s PHE 241 Ca 0.33 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1jht s PHE 241 Cb 0.05 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1jht s PHE 241 CO 0.16 0.27 -0.04 -0.65 0.70 0.00 0.00 175.22 175.66 1jht s GLN 242 N -3.78 0.66 -0.20 0.44 -0.21 0.40 -2.36 119.66 114.62 1jht s GLN 242 Ca 0.35 -1.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 1jht s GLN 242 Cb 0.09 0.04 0.14 0.00 1.00 0.00 0.00 33.01 34.29 1jht s GLN 242 CO 0.17 -0.07 1.10 0.21 -2.12 0.00 0.00 175.29 174.57 1jht s LYS 243 N -3.65 0.45 0.05 2.91 2.20 -0.72 -0.81 119.74 120.17 1jht s LYS 243 Ca 0.07 0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1jht s LYS 243 Cb 0.05 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 1jht s LYS 243 CO -0.07 -0.13 0.05 1.67 -0.36 0.00 0.00 175.35 176.51 1jht s TRP 244 N -0.95 0.33 -0.03 4.03 1.48 -1.26 -1.44 118.94 121.10 1jht s TRP 244 Ca 0.01 -0.76 0.00 0.00 -1.06 0.00 0.00 56.10 54.30 1jht s TRP 244 Cb -0.01 -0.23 0.03 0.00 -1.16 0.00 0.00 33.47 32.09 1jht s TRP 244 CO -0.02 -0.39 0.00 0.00 -4.06 0.00 0.00 176.95 172.48 1jht s ALA 245 N -3.32 0.33 0.24 2.67 0.00 -0.63 -2.27 121.76 118.77 1jht s ALA 245 Ca 0.01 0.16 0.11 0.00 0.00 0.00 0.00 51.96 52.24 1jht s ALA 245 Cb 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1jht s ALA 245 CO -0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 175.76 175.43 1jht s ALA 246 N 1.07 2.79 -0.03 0.00 0.00 0.10 0.24 121.76 125.93 1jht s ALA 246 Ca -0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.13 1jht s ALA 246 Cb -0.13 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1jht s ALA 246 CO -0.02 0.34 0.08 0.54 0.00 0.00 0.00 175.76 176.70 1jht s VAL 247 N -2.14 -0.02 -0.24 0.00 0.11 0.33 0.35 120.40 118.79 1jht s VAL 247 Ca 0.27 0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.20 1jht s VAL 247 Cb -0.07 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1jht s VAL 247 CO 0.14 0.04 0.63 -0.69 -3.33 0.00 0.00 175.10 171.89 1jht s VAL 248 N 0.52 4.99 0.10 2.04 1.01 -1.26 -0.48 120.40 127.32 1jht s VAL 248 Ca -0.04 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.19 1jht s VAL 248 Cb -0.06 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1jht s VAL 248 CO -0.02 0.05 -0.26 0.68 0.00 0.00 0.00 175.10 175.55 1jht s VAL 249 N 2.37 2.13 0.18 2.92 -7.23 0.31 -4.95 120.40 116.12 1jht s VAL 249 Ca 0.27 -1.62 -0.32 0.00 -1.81 0.00 0.00 61.98 58.50 1jht s VAL 249 Cb -0.16 -1.87 -0.11 0.00 0.56 0.00 0.00 36.38 34.81 1jht s VAL 249 CO 0.09 0.14 1.61 -2.84 -0.31 0.00 0.00 175.10 173.78 1jht s PRO 250 N -1.81 4.19 -0.05 4.82 0.02 -1.26 -0.22 135.00 140.69 1jht s PRO 250 Ca 0.12 2.43 -0.37 0.00 0.02 0.00 0.00 61.00 63.20 1jht s PRO 250 Cb -0.10 -3.13 -0.15 0.00 0.02 0.00 0.00 34.50 31.14 1jht s PRO 250 CO 0.05 -0.64 1.60 -1.13 -0.33 0.00 0.00 177.00 176.54 1jht n SER 251 N 3.90 2.40 0.00 2.53 3.41 -0.35 -1.16 113.62 124.35 1jht n SER 251 Ca 0.14 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1jht n SER 251 Cb 0.38 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1jht n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jht n GLY 252 N 3.51 0.86 0.01 5.00 0.00 -1.26 -4.93 105.19 108.38 1jht n GLY 252 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jht n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jht n GLN 253 N -2.27 1.98 -0.27 1.61 6.02 -0.31 -4.83 117.38 119.32 1jht n GLN 253 Ca 0.00 -1.19 0.07 0.00 -0.01 0.00 0.00 57.00 55.87 1jht n GLN 253 Cb 0.00 -0.84 0.19 0.00 1.02 0.00 0.00 30.24 30.61 1jht n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1jht h GLU 254 N 0.00 0.14 -0.96 -1.09 3.07 -1.92 0.06 114.58 113.87 1jht h GLU 254 Ca 0.00 -0.01 0.26 0.00 -0.50 0.00 0.00 59.36 59.11 1jht h GLU 254 Cb 0.68 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.50 1jht h GLU 254 CO 0.00 0.09 0.67 -0.56 -1.40 0.00 0.00 179.01 177.81 1jht h GLN 255 N 0.14 0.14 -0.06 2.33 -0.00 -1.88 0.17 115.11 115.97 1jht h GLN 255 Ca 0.45 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 59.03 1jht h GLN 255 Cb 0.81 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.25 1jht h GLN 255 CO -0.65 0.10 -0.24 0.00 -0.00 0.00 0.00 178.83 178.03 1jht h ARG 256 N 0.15 0.09 -6.39 0.06 3.08 -1.36 -3.44 114.38 106.57 1jht h ARG 256 Ca 0.48 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.96 1jht h ARG 256 Cb 1.64 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.64 1jht h ARG 256 CO -0.09 0.34 0.01 0.71 -1.07 0.00 0.00 179.97 179.87 1jht s TYR 257 N -4.49 3.70 -0.00 3.04 1.51 0.05 -1.87 117.35 119.29 1jht s TYR 257 Ca -0.04 1.26 0.01 0.00 -1.01 0.00 0.00 57.07 57.29 1jht s TYR 257 Cb 0.15 -2.51 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1jht s TYR 257 CO 0.72 0.45 -0.04 0.95 -1.11 0.00 0.00 175.55 176.53 1jht s THR 258 N -1.36 0.31 -0.13 -0.71 -4.23 0.12 -4.56 115.64 105.08 1jht s THR 258 Ca 0.37 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1jht s THR 258 Cb -0.17 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1jht s THR 258 CO 0.20 0.09 0.07 0.00 -0.54 0.00 0.00 174.62 174.45 1jht s HIS 260 N -0.54 2.46 -0.11 0.00 3.76 0.52 0.13 115.29 121.50 1jht s HIS 260 Ca 0.11 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 54.06 1jht s HIS 260 Cb -0.12 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 1jht s HIS 260 CO 0.02 -0.39 -0.19 0.08 -0.85 0.00 0.00 174.74 173.40 1jht s VAL 261 N 0.33 2.47 -0.10 -0.90 1.01 -0.04 -1.45 120.40 121.71 1jht s VAL 261 Ca -0.17 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1jht s VAL 261 Cb -0.17 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1jht s VAL 261 CO 0.08 0.54 -0.21 -1.10 0.00 0.00 0.00 175.10 174.42 1jht s GLN 262 N 0.35 2.75 -0.23 2.72 -0.21 -0.32 -1.15 119.66 123.57 1jht s GLN 262 Ca -0.16 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.19 1jht s GLN 262 Cb -0.17 -2.14 0.08 0.00 1.00 0.00 0.00 33.01 31.78 1jht s GLN 262 CO 0.08 0.10 0.77 -1.58 -2.12 0.00 0.00 175.29 172.53 1jht s HIS 263 N 0.53 -0.71 -1.37 0.91 2.46 -1.26 -1.37 115.29 114.49 1jht s HIS 263 Ca -0.15 1.64 0.01 0.00 0.47 0.00 0.00 55.06 57.03 1jht s HIS 263 Cb -0.17 0.31 0.04 0.00 -0.13 0.00 0.00 32.58 32.63 1jht s HIS 263 CO 0.05 -0.39 0.85 -0.85 -2.47 0.00 0.00 174.74 171.93 1jht n GLU 264 N 2.27 0.01 0.00 2.88 0.28 -1.26 -0.18 120.64 124.64 1jht n GLU 264 Ca -0.14 0.31 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 1jht n GLU 264 Cb 0.56 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 32.12 1jht n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jht n GLY 265 N -1.25 -0.64 3.38 -1.84 0.00 -1.26 -4.77 105.19 98.80 1jht n GLY 265 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1jht n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jht s LEU 266 N -2.66 5.01 0.30 0.99 1.43 0.74 -4.49 118.68 120.00 1jht s LEU 266 Ca 0.18 -1.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.21 1jht s LEU 266 Cb 0.18 -2.07 0.78 0.00 0.03 0.00 0.00 46.19 45.11 1jht s LEU 266 CO 0.61 -0.46 1.63 -0.65 0.23 0.00 0.00 176.35 177.71 1jht h PRO 267 N 8.52 0.16 -4.30 1.29 0.11 -1.86 -3.40 132.00 132.52 1jht h PRO 267 Ca -0.26 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.55 1jht h PRO 267 Cb 1.10 -0.04 -0.26 0.00 0.11 0.00 0.00 31.00 31.92 1jht h PRO 267 CO 0.73 0.10 -0.74 -1.59 -0.21 0.00 0.00 178.00 176.29 1jht s LYS 268 N -5.90 0.40 0.49 1.05 -2.85 -1.26 -5.14 119.74 106.53 1jht s LYS 268 Ca -0.12 -0.35 -0.21 0.00 -1.00 0.00 0.00 55.97 54.30 1jht s LYS 268 Cb 0.27 -0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.63 1jht s LYS 268 CO 0.77 0.08 0.63 -2.30 0.10 0.00 0.00 175.35 174.63 1jht n PRO 269 N 2.49 0.69 -3.87 1.78 -0.02 -1.26 -4.98 135.00 129.82 1jht n PRO 269 Ca -0.16 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 1jht n PRO 269 Cb 0.57 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 1jht n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jht s LEU 270 N 0.79 4.33 -0.12 2.45 1.43 -0.30 -4.92 118.68 122.33 1jht s LEU 270 Ca 0.66 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1jht s LEU 270 Cb -0.52 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1jht s LEU 270 CO 0.56 0.10 -0.02 -0.89 0.23 0.00 0.00 176.35 176.32 1jht s THR 271 N -1.63 0.71 0.17 5.49 2.01 -1.26 -0.86 115.64 120.27 1jht s THR 271 Ca 0.36 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1jht s THR 271 Cb -0.12 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1jht s THR 271 CO 0.28 0.20 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.62 1jht s LEU 272 N 1.82 3.24 0.04 4.42 1.43 0.34 -4.91 118.68 125.05 1jht s LEU 272 Ca 0.03 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1jht s LEU 272 Cb -0.14 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1jht s LEU 272 CO -0.07 0.10 0.26 0.00 0.23 0.00 0.00 176.35 176.87 1jht s ARG 273 N -2.86 0.75 -0.84 1.70 1.70 -1.26 0.29 118.95 118.43 1jht s ARG 273 Ca 0.27 -0.52 -0.25 0.00 -0.47 0.00 0.00 55.73 54.75 1jht s ARG 273 Cb -0.09 0.32 0.04 0.00 -0.57 0.00 0.00 34.95 34.65 1jht s ARG 273 CO 0.18 -0.23 1.32 -0.46 -1.08 0.00 0.00 175.30 175.03 1jht s TRP 274 N -2.43 2.40 0.00 5.89 -0.11 -1.26 -4.99 118.94 118.43 1jht s TRP 274 Ca -0.06 -0.37 0.00 0.00 1.22 0.00 0.00 56.10 56.89 1jht s TRP 274 Cb -0.01 -4.64 0.00 0.00 -1.50 0.00 0.00 33.47 27.32 1jht s TRP 274 CO -0.03 -2.00 0.00 -0.85 -4.62 0.00 0.00 176.95 169.45