#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kla s SER 2 N 0.00 6.58 0.10 1.61 0.15 -1.26 -3.43 113.70 117.45 3kla s SER 2 Ca 0.00 1.42 -0.01 0.00 0.70 0.00 0.00 55.95 58.06 3kla s SER 2 Cb 0.00 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 3kla s SER 2 CO 0.00 -0.53 0.01 -1.00 1.20 0.00 0.00 173.24 172.92 3kla s HIS 3 N -2.55 0.77 0.04 3.44 4.02 -0.44 -4.96 115.29 115.60 3kla s HIS 3 Ca 0.56 -1.13 -0.02 0.00 1.02 0.00 0.00 55.06 55.49 3kla s HIS 3 Cb -0.10 -0.47 -0.03 0.00 -1.02 0.00 0.00 32.58 30.96 3kla s HIS 3 CO 0.32 -0.41 -0.00 -1.54 1.02 0.00 0.00 174.74 174.12 3kla s SER 4 N -3.01 0.34 -0.06 1.40 1.04 -1.26 -0.65 113.70 111.50 3kla s SER 4 Ca 0.17 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.92 3kla s SER 4 Cb 0.07 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 3kla s SER 4 CO -0.03 -0.47 -0.21 -0.32 0.98 0.00 0.00 173.24 173.19 3kla s MET 5 N -2.76 2.24 -0.02 4.02 0.00 -0.24 -0.63 119.30 121.90 3kla s MET 5 Ca -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 55.69 54.89 3kla s MET 5 Cb -0.00 -1.87 0.01 0.00 0.00 0.00 0.00 34.83 32.96 3kla s MET 5 CO -0.06 0.27 0.06 1.03 0.00 0.00 0.00 175.02 176.32 3kla s ARG 6 N 0.05 0.07 -0.04 4.11 1.81 -0.52 -1.30 118.95 123.14 3kla s ARG 6 Ca -0.07 0.08 0.05 0.00 -1.72 0.00 0.00 55.73 54.07 3kla s ARG 6 Cb -0.14 0.03 -0.02 0.00 -0.45 0.00 0.00 34.95 34.37 3kla s ARG 6 CO 0.04 -0.01 -0.18 0.71 -0.68 0.00 0.00 175.30 175.18 3kla s TYR 7 N 0.02 2.59 -0.09 -0.53 2.02 0.21 -0.71 117.35 120.86 3kla s TYR 7 Ca -0.00 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 3kla s TYR 7 Cb -0.00 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 3kla s TYR 7 CO 0.00 0.12 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.90 3kla s PHE 8 N -0.70 1.80 -0.06 2.71 0.08 -0.23 -1.80 117.98 119.77 3kla s PHE 8 Ca 0.11 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.43 3kla s PHE 8 Cb -0.10 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 3kla s PHE 8 CO 0.00 -0.39 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.50 3kla s PHE 9 N 0.81 1.87 -0.09 0.36 0.08 0.11 -0.96 117.98 120.17 3kla s PHE 9 Ca -0.11 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 56.31 3kla s PHE 9 Cb -0.16 -1.28 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3kla s PHE 9 CO 0.02 -0.27 -0.16 0.99 -0.10 0.00 0.00 175.22 175.70 3kla s THR 10 N 0.30 1.51 -0.12 0.64 2.01 0.01 -1.08 115.64 118.91 3kla s THR 10 Ca -0.11 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3kla s THR 10 Cb -0.15 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.02 3kla s THR 10 CO 0.04 0.44 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.70 3kla s SER 11 N 0.68 2.61 -0.17 3.53 0.15 -0.07 -0.73 113.70 119.71 3kla s SER 11 Ca -0.13 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.05 3kla s SER 11 Cb -0.16 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 63.01 3kla s SER 11 CO 0.03 0.02 -0.08 -0.69 1.20 0.00 0.00 173.24 173.72 3kla s VAL 12 N 0.99 1.34 0.52 4.45 1.01 -0.27 -0.46 120.40 127.99 3kla s VAL 12 Ca -0.06 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 3kla s VAL 12 Cb -0.15 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 3kla s VAL 12 CO -0.02 0.21 1.14 -0.94 0.00 0.00 0.00 175.10 175.49 3kla s SER 13 N 1.54 5.81 -0.43 3.32 1.04 -0.43 -1.01 113.70 123.54 3kla s SER 13 Ca 0.01 2.23 0.09 0.00 0.48 0.00 0.00 55.95 58.75 3kla s SER 13 Cb -0.15 -2.59 0.28 0.00 0.10 0.00 0.00 66.02 63.67 3kla s SER 13 CO -0.08 -1.16 0.64 0.54 0.98 0.00 0.00 173.24 174.16 3kla n ARG 14 N -1.10 1.23 -1.80 4.02 1.74 -1.26 -4.10 116.66 115.39 3kla n ARG 14 Ca 0.11 -3.59 -0.42 0.00 -0.77 0.00 0.00 57.85 53.17 3kla n ARG 14 Cb 0.50 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3kla n ARG 14 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3kla s PRO 15 N -1.87 4.16 0.00 5.56 0.02 -1.26 -0.35 135.00 141.26 3kla s PRO 15 Ca 0.38 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3kla s PRO 15 Cb 0.22 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3kla s PRO 15 CO -0.09 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 3kla n GLY 16 N 4.10 1.65 0.83 0.52 0.00 -1.26 -4.81 105.19 106.22 3kla n GLY 16 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3kla n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kla n ARG 17 N -2.00 1.72 0.00 1.61 0.63 0.53 -5.11 116.66 114.04 3kla n ARG 17 Ca 0.00 -3.21 0.00 0.00 -0.92 0.00 0.00 57.85 53.72 3kla n ARG 17 Cb 0.00 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3kla n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kla n GLY 18 N -1.12 -0.03 3.78 5.14 0.00 -1.14 -4.92 105.19 106.90 3kla n GLY 18 Ca 0.25 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 3kla n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kla s GLU 19 N 0.00 4.02 0.50 1.61 2.56 -1.26 -4.39 118.70 121.74 3kla s GLU 19 Ca 0.00 1.60 -0.23 0.00 0.00 0.00 0.00 54.97 56.34 3kla s GLU 19 Cb 0.00 -2.49 -0.07 0.00 2.00 0.00 0.00 34.13 33.57 3kla s GLU 19 CO 0.00 -0.29 1.35 -0.35 -0.56 0.00 0.00 175.26 175.41 3kla n PRO 20 N -0.22 1.87 -2.28 4.30 -0.04 -1.26 -4.63 135.00 132.74 3kla n PRO 20 Ca 0.06 0.68 -0.41 0.00 -0.04 0.00 0.00 63.50 63.78 3kla n PRO 20 Cb 0.49 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 3kla n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3kla s ARG 21 N -2.63 4.45 -0.08 0.54 6.06 -0.18 -4.86 118.95 122.25 3kla s ARG 21 Ca 0.67 2.00 0.00 0.00 -2.50 0.00 0.00 55.73 55.90 3kla s ARG 21 Cb -0.44 -3.18 0.02 0.00 0.06 0.00 0.00 34.95 31.41 3kla s ARG 21 CO 0.53 -0.13 -0.07 0.12 -2.50 0.00 0.00 175.30 173.26 3kla s PHE 22 N -0.35 1.16 -0.06 5.12 5.36 -1.26 -1.11 117.98 126.84 3kla s PHE 22 Ca 0.52 -0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.06 3kla s PHE 22 Cb -0.35 -0.98 0.01 0.00 -0.34 0.00 0.00 43.02 41.35 3kla s PHE 22 CO 0.41 -0.34 -0.14 0.42 -1.46 0.00 0.00 175.22 174.10 3kla s ILE 23 N 1.29 1.26 -0.04 3.12 1.01 0.09 -0.90 121.20 127.03 3kla s ILE 23 Ca -0.04 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.09 3kla s ILE 23 Cb -0.14 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 3kla s ILE 23 CO -0.03 0.38 -0.19 0.00 0.00 0.00 0.00 174.94 175.10 3kla s ALA 24 N 0.48 1.67 0.03 9.38 0.00 -0.11 -0.81 121.76 132.40 3kla s ALA 24 Ca -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3kla s ALA 24 Cb -0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3kla s ALA 24 CO 0.04 0.33 -0.09 0.14 0.00 0.00 0.00 175.76 176.17 3kla s VAL 25 N -0.10 0.72 0.05 0.00 -7.23 -0.13 -0.70 120.40 113.02 3kla s VAL 25 Ca -0.01 -0.78 0.09 0.00 -1.81 0.00 0.00 61.98 59.47 3kla s VAL 25 Cb -0.11 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 3kla s VAL 25 CO 0.02 -0.07 -0.26 -0.83 -0.31 0.00 0.00 175.10 173.65 3kla s GLY 26 N -0.94 1.41 0.05 2.32 0.00 -0.59 -1.07 107.32 108.51 3kla s GLY 26 Ca -0.02 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.47 3kla s GLY 26 CO 0.00 -1.18 -0.14 -0.19 0.00 0.00 0.00 173.10 171.59 3kla s TYR 27 N -0.83 1.23 -0.20 1.90 1.51 0.11 -0.43 117.35 120.64 3kla s TYR 27 Ca 0.12 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3kla s TYR 27 Cb -0.10 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 3kla s TYR 27 CO 0.02 0.04 -0.06 0.08 -1.11 0.00 0.00 175.55 174.53 3kla s VAL 28 N -0.94 3.37 0.00 0.71 1.01 -0.12 -1.44 120.40 122.99 3kla s VAL 28 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3kla s VAL 28 Cb -0.08 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3kla s VAL 28 CO 0.01 0.45 0.00 0.47 0.00 0.00 0.00 175.10 176.03 3kla n ASP 29 N 4.44 0.00 -1.85 3.32 8.00 0.20 -0.91 116.55 129.74 3kla n ASP 29 Ca -0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.30 3kla n ASP 29 Cb 0.51 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.92 3kla n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kla n ASP 30 N 2.94 4.79 -4.15 -2.24 8.00 -1.26 -4.87 116.55 119.76 3kla n ASP 30 Ca 0.00 -3.01 -0.33 0.00 0.71 0.00 0.00 54.79 52.16 3kla n ASP 30 Cb 0.00 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.24 3kla n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kla s THR 31 N -2.69 2.34 0.37 -3.53 2.01 -0.09 -5.01 115.64 109.05 3kla s THR 31 Ca 0.49 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 3kla s THR 31 Cb 0.39 -2.07 -0.09 0.00 0.01 0.00 0.00 72.50 70.74 3kla s THR 31 CO 0.13 0.41 1.13 -1.58 -0.69 0.00 0.00 174.62 174.02 3kla s GLN 32 N 1.29 4.20 0.00 4.92 0.74 -1.26 -0.95 119.66 128.61 3kla s GLN 32 Ca 0.03 1.76 0.00 0.00 0.05 0.00 0.00 55.36 57.20 3kla s GLN 32 Cb -0.14 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.22 3kla s GLN 32 CO -0.10 -0.17 0.00 1.97 -0.55 0.00 0.00 175.29 176.44 3kla n PHE 33 N 0.27 0.00 -3.95 1.67 -1.74 0.42 -4.17 117.46 109.96 3kla n PHE 33 Ca 0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.84 3kla n PHE 33 Cb 0.47 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.38 3kla n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3kla s VAL 34 N -0.97 0.16 0.05 1.97 -7.23 -1.20 -0.51 120.40 112.67 3kla s VAL 34 Ca 0.00 -1.31 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 3kla s VAL 34 Cb 0.00 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 3kla s VAL 34 CO 0.00 -0.72 0.10 0.00 -0.31 0.00 0.00 175.10 174.16 3kla s ARG 35 N -3.37 0.65 -0.02 4.82 1.70 -0.50 -1.54 118.95 120.70 3kla s ARG 35 Ca 0.01 -0.88 0.01 0.00 -0.47 0.00 0.00 55.73 54.40 3kla s ARG 35 Cb 0.03 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3kla s ARG 35 CO -0.08 -0.17 -0.02 0.12 -1.08 0.00 0.00 175.30 174.08 3kla s PHE 36 N -3.12 0.34 -0.13 5.89 5.36 0.12 -0.79 117.98 125.66 3kla s PHE 36 Ca -0.01 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 55.92 3kla s PHE 36 Cb 0.02 -0.35 0.03 0.00 -0.34 0.00 0.00 43.02 42.37 3kla s PHE 36 CO -0.07 -0.09 -0.09 0.34 -1.46 0.00 0.00 175.22 173.85 3kla s ASP 37 N 0.61 2.40 0.54 6.13 2.15 -1.26 -0.93 116.67 126.31 3kla s ASP 37 Ca -0.06 -0.40 0.24 0.00 0.43 0.00 0.00 52.55 52.76 3kla s ASP 37 Cb -0.09 -0.94 1.42 0.00 -0.30 0.00 0.00 42.92 43.01 3kla s ASP 37 CO -0.01 -0.11 2.03 0.77 -0.17 0.00 0.00 175.17 177.68 3kla h SER 38 N 8.14 0.00 0.70 -0.34 4.64 -1.40 -2.09 113.55 123.19 3kla h SER 38 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3kla h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kla h SER 38 CO 0.44 0.00 -0.44 0.47 -0.87 0.00 0.00 176.83 176.43 3kla n ASP 39 N -4.28 0.48 -4.83 4.97 9.92 -1.26 -4.88 116.55 116.66 3kla n ASP 39 Ca 0.06 -0.01 -0.31 0.00 -0.53 0.00 0.00 54.79 54.00 3kla n ASP 39 Cb 0.48 0.08 0.03 0.00 -0.64 0.00 0.00 41.12 41.06 3kla n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kla s ALA 40 N -3.05 2.83 0.18 2.24 0.00 -0.79 -4.99 121.76 118.19 3kla s ALA 40 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 3kla s ALA 40 Cb 0.17 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 20.22 3kla s ALA 40 CO 0.67 -0.96 1.46 0.00 0.00 0.00 0.00 175.76 176.93 3kla h ALA 41 N -0.38 0.63 -0.42 0.00 0.00 -1.90 -3.33 119.26 113.88 3kla h ALA 41 Ca -0.44 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 53.85 3kla h ALA 41 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3kla h ALA 41 CO 0.59 0.74 0.08 0.66 0.00 0.00 0.00 179.25 181.31 3kla h SER 42 N 0.31 0.58 -4.67 0.00 4.64 -1.94 -3.46 113.55 109.02 3kla h SER 42 Ca -0.02 -0.10 -0.36 0.00 -0.47 0.00 0.00 61.79 60.84 3kla h SER 42 Cb 1.24 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3kla h SER 42 CO 0.12 0.60 -0.52 0.00 -0.87 0.00 0.00 176.83 176.16 3kla n GLN 43 N -4.30 -3.53 -4.31 4.77 1.13 -1.25 -5.00 117.38 104.89 3kla n GLN 43 Ca 0.03 0.67 -0.20 0.00 -1.94 0.00 0.00 57.00 55.55 3kla n GLN 43 Cb 0.22 -5.40 -0.11 0.00 0.11 0.00 0.00 30.24 25.05 3kla n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3kla s ARG 44 N -5.66 1.23 0.26 -1.09 0.52 -1.26 -5.03 118.95 107.92 3kla s ARG 44 Ca 0.26 -1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 53.78 3kla s ARG 44 Cb -0.13 -1.21 -0.10 0.00 0.52 0.00 0.00 34.95 34.03 3kla s ARG 44 CO 0.32 0.24 1.48 1.41 0.02 0.00 0.00 175.30 178.77 3kla s MET 45 N -2.88 4.23 0.03 3.54 -2.45 -1.26 -4.70 119.30 115.81 3kla s MET 45 Ca 0.15 2.37 0.06 0.00 -1.25 0.00 0.00 55.69 57.02 3kla s MET 45 Cb -0.05 -3.09 -0.02 0.00 1.25 0.00 0.00 34.83 32.92 3kla s MET 45 CO 0.06 -0.47 -0.18 -1.21 1.05 0.00 0.00 175.02 174.26 3kla s GLU 46 N -0.39 1.27 0.41 4.11 2.02 0.03 -4.88 118.70 121.28 3kla s GLU 46 Ca 0.60 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 54.55 3kla s GLU 46 Cb -0.43 -1.31 -0.08 0.00 0.10 0.00 0.00 34.13 32.40 3kla s GLU 46 CO 0.44 0.34 1.20 -1.25 0.02 0.00 0.00 175.26 176.02 3kla s PRO 47 N -0.94 3.99 0.00 0.39 0.04 -1.26 -1.40 135.00 135.81 3kla s PRO 47 Ca 0.06 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3kla s PRO 47 Cb -0.08 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3kla s PRO 47 CO 0.01 -0.40 0.74 0.54 0.04 0.00 0.00 177.00 177.93 3kla n ARG 48 N 0.01 1.47 -4.12 4.56 5.12 0.34 -4.82 116.66 119.21 3kla n ARG 48 Ca 0.05 -0.99 -0.15 0.00 -1.93 0.00 0.00 57.85 54.83 3kla n ARG 48 Cb 0.46 -0.75 -0.14 0.00 -1.16 0.00 0.00 32.46 30.88 3kla n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kla s ALA 49 N -0.49 0.45 0.36 7.54 0.00 -1.22 -4.64 121.76 123.77 3kla s ALA 49 Ca 0.00 -0.36 0.23 0.00 0.00 0.00 0.00 51.96 51.82 3kla s ALA 49 Cb 0.00 -0.06 1.18 0.00 0.00 0.00 0.00 23.12 24.24 3kla s ALA 49 CO 0.00 0.07 1.97 -1.35 0.00 0.00 0.00 175.76 176.45 3kla h PRO 50 N 5.60 0.00 0.00 0.00 0.11 -1.94 -2.89 132.00 132.89 3kla h PRO 50 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kla h PRO 50 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kla h PRO 50 CO 0.48 0.19 0.00 -2.67 -0.21 0.00 0.00 178.00 175.79 3kla n TRP 51 N -3.73 0.00 0.60 0.65 4.27 -1.26 -2.63 117.44 115.35 3kla n TRP 51 Ca -0.02 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.69 3kla n TRP 51 Cb 0.31 -0.48 -0.13 0.00 -1.36 0.00 0.00 31.31 29.64 3kla n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3kla n ILE 52 N -1.48 0.00 0.01 -1.67 0.13 -1.09 -4.60 119.36 110.65 3kla n ILE 52 Ca 0.06 -0.19 0.09 0.00 -1.10 0.00 0.00 62.75 61.61 3kla n ILE 52 Cb 0.29 0.65 0.50 0.00 -0.84 0.00 0.00 39.64 40.24 3kla n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3kla h GLU 53 N 0.00 0.37 -0.22 9.51 5.08 -1.52 -1.96 114.58 125.83 3kla h GLU 53 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kla h GLU 53 Cb 0.65 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kla h GLU 53 CO 0.00 0.24 0.00 1.04 -1.00 0.00 0.00 179.01 179.29 3kla n GLN 54 N -4.48 2.17 -1.47 2.33 1.13 -1.26 -4.86 117.38 110.95 3kla n GLN 54 Ca 0.05 -1.75 -0.37 0.00 -1.94 0.00 0.00 57.00 52.99 3kla n GLN 54 Cb 0.22 -1.47 0.06 0.00 0.11 0.00 0.00 30.24 29.17 3kla n GLN 54 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3kla n GLU 55 N 1.01 0.63 -1.71 -1.09 -0.58 -0.74 -4.95 120.64 113.21 3kla n GLU 55 Ca 0.17 0.26 -0.25 0.00 -0.42 0.00 0.00 57.16 56.92 3kla n GLU 55 Cb 0.50 -2.08 0.18 0.00 -0.57 0.00 0.00 31.44 29.47 3kla n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kla n GLY 56 N 1.35 -1.34 0.32 0.62 0.00 -1.26 -4.86 105.19 100.03 3kla n GLY 56 Ca 0.13 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.49 3kla n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kla h PRO 57 N 0.00 0.47 -0.36 1.61 0.13 -1.98 -2.41 132.00 129.46 3kla h PRO 57 Ca -0.37 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3kla h PRO 57 Cb 1.04 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 3kla h PRO 57 CO 0.27 0.31 0.15 1.49 -0.23 0.00 0.00 178.00 180.00 3kla h GLU 58 N 0.49 0.31 0.44 0.86 4.57 -1.99 -0.53 114.58 118.73 3kla h GLU 58 Ca 0.19 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3kla h GLU 58 Cb 0.16 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3kla h GLU 58 CO -0.05 0.21 -0.38 -0.92 -1.18 0.00 0.00 179.01 176.68 3kla h TYR 59 N 0.32 -1.04 -0.63 0.92 5.03 -1.80 -1.61 116.97 118.17 3kla h TYR 59 Ca 0.16 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.40 3kla h TYR 59 Cb 0.10 0.40 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 3kla h TYR 59 CO -0.12 -0.55 0.11 -1.49 -1.32 0.00 0.00 178.16 174.80 3kla h TRP 60 N -0.83 1.07 -0.27 -3.82 4.06 -1.31 0.07 115.95 114.92 3kla h TRP 60 Ca -0.04 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 60.77 3kla h TRP 60 Cb 0.72 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3kla h TRP 60 CO -0.18 0.90 0.16 -0.44 -3.56 0.00 0.00 178.44 175.31 3kla h ASP 61 N 0.96 0.33 -0.20 -3.49 5.19 -1.11 -0.71 116.42 117.38 3kla h ASP 61 Ca 0.20 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 3kla h ASP 61 Cb 0.40 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3kla h ASP 61 CO 0.01 0.29 -0.01 1.23 -3.12 0.00 0.00 179.24 177.63 3kla h GLY 62 N 0.34 0.40 1.37 2.75 0.00 -0.89 -0.46 103.07 106.58 3kla h GLY 62 Ca 0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3kla h GLY 62 CO -0.02 0.28 0.20 0.83 0.00 0.00 0.00 176.54 177.83 3kla h GLU 63 N 0.12 0.81 -0.19 4.80 4.39 -0.96 -0.62 114.58 122.93 3kla h GLU 63 Ca 0.06 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3kla h GLU 63 Cb 0.42 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3kla h GLU 63 CO 0.01 0.68 0.04 1.15 -1.16 0.00 0.00 179.01 179.73 3kla h THR 64 N 0.79 1.22 -0.22 1.13 2.02 -0.90 0.49 112.91 117.44 3kla h THR 64 Ca 0.19 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3kla h THR 64 Cb 0.19 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3kla h THR 64 CO -0.01 0.22 0.07 -0.09 0.37 0.00 0.00 175.52 176.07 3kla h ARG 65 N 0.10 0.17 -0.59 6.66 2.43 -0.76 -1.75 114.38 120.64 3kla h ARG 65 Ca 0.06 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3kla h ARG 65 Cb 0.30 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3kla h ARG 65 CO 0.00 0.11 0.03 0.87 -1.51 0.00 0.00 179.97 179.48 3kla h LYS 66 N 0.17 1.01 -0.13 0.20 1.57 -1.01 -2.24 116.57 116.13 3kla h LYS 66 Ca 0.10 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.42 3kla h LYS 66 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3kla h LYS 66 CO -0.11 0.97 -0.63 -0.24 -0.57 0.00 0.00 179.45 178.87 3kla h VAL 67 N 0.93 1.35 -0.55 0.50 3.04 -0.62 -0.30 116.25 120.59 3kla h VAL 67 Ca 0.18 -1.94 -0.05 0.00 -1.01 0.00 0.00 66.70 63.88 3kla h VAL 67 Cb 0.49 1.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.68 3kla h VAL 67 CO 0.02 0.59 0.15 0.11 -1.01 0.00 0.00 177.57 177.44 3kla h LYS 68 N 0.35 0.83 -0.33 4.17 1.57 -1.27 -0.48 116.57 121.41 3kla h LYS 68 Ca -0.01 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 3kla h LYS 68 Cb 1.18 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3kla h LYS 68 CO 0.11 0.74 -0.30 0.00 -0.57 0.00 0.00 179.45 179.43 3kla h ALA 69 N 1.36 0.85 -0.59 3.86 0.00 -0.77 -0.82 119.26 123.14 3kla h ALA 69 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3kla h ALA 69 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kla h ALA 69 CO -0.01 0.64 0.38 0.45 0.00 0.00 0.00 179.25 180.71 3kla h HIS 70 N 0.60 0.72 -0.58 0.00 3.86 -0.75 -1.56 115.15 117.44 3kla h HIS 70 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3kla h HIS 70 Cb 0.81 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 3kla h HIS 70 CO 0.04 0.45 0.36 1.03 0.86 0.00 0.00 177.93 180.67 3kla h SER 71 N 0.78 0.69 -0.48 2.45 0.87 -0.68 -1.58 113.55 115.60 3kla h SER 71 Ca 0.22 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3kla h SER 71 Cb -0.07 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3kla h SER 71 CO -0.06 0.53 0.22 1.56 -0.53 0.00 0.00 176.83 178.55 3kla h GLN 72 N 0.79 0.70 -0.41 2.24 1.08 -0.91 -1.45 115.11 117.15 3kla h GLN 72 Ca 0.21 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.36 3kla h GLN 72 Cb -0.04 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 3kla h GLN 72 CO -0.04 0.61 0.10 1.15 -0.95 0.00 0.00 178.83 179.70 3kla h THR 73 N 0.63 0.82 -0.41 -0.54 2.02 -0.93 -2.18 112.91 112.32 3kla h THR 73 Ca 0.16 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 3kla h THR 73 Cb 0.15 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3kla h THR 73 CO -0.02 0.04 0.03 0.45 0.37 0.00 0.00 175.52 176.40 3kla h HIS 74 N 0.25 0.66 -0.12 3.16 3.86 -1.09 -0.07 115.15 121.79 3kla h HIS 74 Ca 0.19 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3kla h HIS 74 Cb 0.22 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3kla h HIS 74 CO -0.18 0.61 0.02 -0.09 0.86 0.00 0.00 177.93 179.16 3kla h ARG 75 N 0.61 0.07 -0.47 2.45 2.43 -0.85 -1.63 114.38 116.99 3kla h ARG 75 Ca 0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3kla h ARG 75 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3kla h ARG 75 CO 0.01 0.05 0.27 0.28 -1.51 0.00 0.00 179.97 179.06 3kla h VAL 76 N 0.07 1.16 -0.84 0.20 2.07 -0.96 -3.11 116.25 114.83 3kla h VAL 76 Ca 0.05 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3kla h VAL 76 Cb 0.04 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3kla h VAL 76 CO -0.07 0.16 0.55 0.44 0.02 0.00 0.00 177.57 178.68 3kla h ASP 77 N 0.62 0.89 -0.65 0.57 3.32 -0.65 -1.65 116.42 118.88 3kla h ASP 77 Ca 0.17 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.25 3kla h ASP 77 Cb 0.02 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3kla h ASP 77 CO -0.03 0.61 0.38 -0.07 -1.72 0.00 0.00 179.24 178.41 3kla h LEU 78 N 1.03 0.58 -0.27 1.55 3.38 -1.24 0.65 115.31 121.00 3kla h LEU 78 Ca 0.34 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3kla h LEU 78 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kla h LEU 78 CO -0.10 0.39 0.15 1.23 0.09 0.00 0.00 178.44 180.19 3kla h GLY 79 N 0.71 0.40 0.77 0.83 0.00 -1.41 -2.29 103.07 102.08 3kla h GLY 79 Ca 0.28 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3kla h GLY 79 CO -0.15 0.17 -0.04 -0.84 0.00 0.00 0.00 176.54 175.68 3kla h THR 80 N 0.32 0.86 -0.75 4.70 2.02 -0.77 -2.36 112.91 116.93 3kla h THR 80 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3kla h THR 80 Cb 0.06 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3kla h THR 80 CO -0.02 0.00 0.40 -0.07 0.37 0.00 0.00 175.52 176.21 3kla h LEU 81 N -0.04 0.94 -0.70 2.58 3.38 -0.91 -1.13 115.31 119.43 3kla h LEU 81 Ca 0.05 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.01 3kla h LEU 81 Cb 0.11 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3kla h LEU 81 CO -0.11 0.78 0.35 -0.09 0.09 0.00 0.00 178.44 179.46 3kla h ARG 82 N 1.04 0.58 -0.06 1.13 2.43 -1.23 -1.83 114.38 116.43 3kla h ARG 82 Ca 0.26 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3kla h ARG 82 Cb 0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3kla h ARG 82 CO -0.04 0.39 0.03 0.78 -1.51 0.00 0.00 179.97 179.61 3kla h GLY 83 N 0.60 0.10 0.72 2.80 0.00 -0.96 -0.06 103.07 106.27 3kla h GLY 83 Ca 0.35 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.75 3kla h GLY 83 CO -0.27 0.05 0.52 -0.97 0.00 0.00 0.00 176.54 175.88 3kla h TYR 84 N -0.05 0.67 -0.69 5.60 0.05 -0.82 -2.58 116.97 119.15 3kla h TYR 84 Ca 0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3kla h TYR 84 Cb 0.15 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3kla h TYR 84 CO -0.02 0.28 0.00 0.66 -1.05 0.00 0.00 178.16 178.03 3kla n TYR 85 N -4.51 0.92 -3.80 4.88 4.01 -0.72 -4.96 117.16 112.97 3kla n TYR 85 Ca 0.14 -0.46 -0.26 0.00 -0.16 0.00 0.00 57.90 57.16 3kla n TYR 85 Cb 0.43 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.49 3kla n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kla n ASN 86 N 1.65 -3.69 -4.90 7.72 4.05 -0.97 -4.97 115.26 114.15 3kla n ASN 86 Ca 0.24 -0.77 -0.32 0.00 0.45 0.00 0.00 54.58 54.19 3kla n ASN 86 Cb 0.62 -4.08 -0.05 0.00 1.23 0.00 0.00 39.78 37.51 3kla n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3kla s GLN 87 N -6.35 3.55 0.71 1.20 -0.21 -0.07 -5.05 119.66 113.44 3kla s GLN 87 Ca 0.42 -0.22 -0.11 0.00 0.02 0.00 0.00 55.36 55.48 3kla s GLN 87 Cb -0.21 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 30.87 3kla s GLN 87 CO 0.81 0.54 1.07 -1.54 -2.12 0.00 0.00 175.29 174.05 3kla s SER 88 N -2.37 5.18 0.24 5.90 1.04 -1.26 -4.73 113.70 117.70 3kla s SER 88 Ca 0.37 1.64 0.24 0.00 0.48 0.00 0.00 55.95 58.68 3kla s SER 88 Cb -0.13 -2.48 0.94 0.00 0.10 0.00 0.00 66.02 64.46 3kla s SER 88 CO 0.25 -1.58 1.72 -0.62 0.98 0.00 0.00 173.24 173.99 3kla n GLU 89 N -3.22 0.20 0.08 4.02 1.02 -1.26 -3.94 120.64 117.55 3kla n GLU 89 Ca 0.08 0.37 -0.10 0.00 -0.02 0.00 0.00 57.16 57.49 3kla n GLU 89 Cb 0.54 -1.84 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3kla n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kla h ALA 90 N 2.33 0.39 -2.25 0.62 0.00 -1.95 -3.44 119.26 114.97 3kla h ALA 90 Ca 0.00 -0.81 -0.48 0.00 0.00 0.00 0.00 54.91 53.62 3kla h ALA 90 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kla h ALA 90 CO 0.00 1.01 0.21 0.20 0.00 0.00 0.00 179.25 180.68 3kla s GLY 91 N -4.59 2.13 0.07 0.00 0.00 -1.25 -4.63 107.32 99.04 3kla s GLY 91 Ca -0.02 0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.46 3kla s GLY 91 CO 0.84 0.27 0.87 -0.45 0.00 0.00 0.00 173.10 174.62 3kla s SER 92 N -2.80 7.35 0.16 1.64 0.15 -1.26 -4.65 113.70 114.28 3kla s SER 92 Ca 0.55 1.61 0.04 0.00 0.70 0.00 0.00 55.95 58.86 3kla s SER 92 Cb -0.10 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 3kla s SER 92 CO 0.26 -0.04 -0.08 -1.00 1.20 0.00 0.00 173.24 173.57 3kla s HIS 93 N 0.05 1.30 -0.06 3.44 3.76 -1.26 -4.95 115.29 117.56 3kla s HIS 93 Ca 0.43 -0.80 0.04 0.00 -0.15 0.00 0.00 55.06 54.58 3kla s HIS 93 Cb -0.22 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 32.79 3kla s HIS 93 CO 0.26 0.05 -0.17 0.99 -0.85 0.00 0.00 174.74 175.02 3kla s THR 94 N -3.36 1.46 -0.03 1.30 2.01 -1.26 -1.31 115.64 114.45 3kla s THR 94 Ca 0.19 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.53 3kla s THR 94 Cb 0.03 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 3kla s THR 94 CO 0.02 0.42 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.54 3kla s VAL 95 N 0.31 3.09 -0.01 3.82 1.01 0.40 0.03 120.40 129.05 3kla s VAL 95 Ca -0.11 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3kla s VAL 95 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3kla s VAL 95 CO 0.04 0.53 -0.11 -1.10 0.00 0.00 0.00 175.10 174.47 3kla s GLN 96 N -0.92 0.89 0.01 2.72 -0.21 -0.63 -0.89 119.66 120.63 3kla s GLN 96 Ca 0.13 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.16 3kla s GLN 96 Cb -0.11 -0.86 -0.01 0.00 1.00 0.00 0.00 33.01 33.04 3kla s GLN 96 CO 0.02 0.22 -0.10 0.50 -2.12 0.00 0.00 175.29 173.81 3kla s ARG 97 N -0.20 0.75 -0.02 2.91 3.52 -0.24 -0.54 118.95 125.13 3kla s ARG 97 Ca 0.03 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3kla s ARG 97 Cb -0.05 -0.71 0.01 0.00 -1.56 0.00 0.00 34.95 32.64 3kla s ARG 97 CO -0.00 0.19 -0.03 1.41 -0.81 0.00 0.00 175.30 176.05 3kla s MET 98 N -0.53 0.45 0.07 5.12 -2.45 -0.36 -0.71 119.30 120.90 3kla s MET 98 Ca 0.02 -0.07 -0.09 0.00 -1.25 0.00 0.00 55.69 54.30 3kla s MET 98 Cb -0.05 -0.50 -0.00 0.00 1.25 0.00 0.00 34.83 35.53 3kla s MET 98 CO 0.00 -0.01 0.18 1.52 1.05 0.00 0.00 175.02 177.76 3kla s TYR 99 N 0.47 0.14 -4.93 4.11 -0.85 -0.75 -0.61 117.35 114.93 3kla s TYR 99 Ca -0.05 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 3kla s TYR 99 Cb -0.08 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.19 3kla s TYR 99 CO -0.01 -0.51 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 3kla n GLY 100 N 0.14 -0.74 3.10 5.49 0.00 -0.68 -0.62 105.19 111.87 3kla n GLY 100 Ca -0.16 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 3kla n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kla s ASP 102 N -1.80 4.06 0.22 0.00 1.01 0.11 -1.08 116.67 119.18 3kla s ASP 102 Ca -0.09 -0.26 0.09 0.00 0.71 0.00 0.00 52.55 53.00 3kla s ASP 102 Cb -0.04 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 43.03 3kla s ASP 102 CO -0.02 0.31 -0.17 0.68 0.21 0.00 0.00 175.17 176.18 3kla s VAL 103 N -0.84 1.97 0.00 -1.27 -7.23 0.18 -0.30 120.40 112.92 3kla s VAL 103 Ca 0.14 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 3kla s VAL 103 Cb -0.11 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.74 3kla s VAL 103 CO 0.03 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 3kla n GLY 104 N -0.34 -0.30 0.22 2.32 0.00 -0.36 -1.33 105.19 105.40 3kla n GLY 104 Ca -0.08 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.30 3kla n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kla h SER 105 N 0.00 0.00 -0.12 1.61 4.64 -1.89 0.67 113.55 118.45 3kla h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kla h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kla h SER 105 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 3kla n ASP 106 N -2.75 1.40 -1.46 4.97 5.75 -1.26 -4.92 116.55 118.28 3kla n ASP 106 Ca 0.01 -1.63 -0.17 0.00 -0.01 0.00 0.00 54.79 52.99 3kla n ASP 106 Cb 0.28 -0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 3kla n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3kla n TRP 107 N 0.13 -0.18 -3.65 2.11 7.02 0.23 -5.01 117.44 118.10 3kla n TRP 107 Ca 0.16 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.33 3kla n TRP 107 Cb 0.29 -3.07 -0.05 0.00 -2.42 0.00 0.00 31.31 26.07 3kla n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3kla s ARG 108 N -3.76 3.64 0.20 -0.99 0.52 -1.26 -4.75 118.95 112.55 3kla s ARG 108 Ca 0.00 -0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.85 3kla s ARG 108 Cb 0.00 -2.84 -0.16 0.00 0.52 0.00 0.00 34.95 32.48 3kla s ARG 108 CO 0.00 0.46 1.04 0.34 0.02 0.00 0.00 175.30 177.16 3kla n PHE 109 N 0.10 1.06 -0.01 -0.53 7.35 -1.26 -1.22 117.46 122.95 3kla n PHE 109 Ca -0.02 0.73 -0.03 0.00 -0.76 0.00 0.00 57.45 57.37 3kla n PHE 109 Cb 0.52 -2.23 -0.01 0.00 0.35 0.00 0.00 39.48 38.11 3kla n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3kla n LEU 110 N 1.77 0.84 -3.48 -2.13 4.32 0.59 -4.72 117.00 114.21 3kla n LEU 110 Ca 0.14 0.02 -0.14 0.00 -0.02 0.00 0.00 56.01 56.01 3kla n LEU 110 Cb 0.26 -0.09 -0.04 0.00 -1.62 0.00 0.00 43.42 41.93 3kla n LEU 110 CO 0.60 0.17 0.46 -0.60 -1.22 0.00 0.00 177.39 176.80 3kla s ARG 111 N -2.05 1.11 0.18 3.23 3.52 -1.11 -4.99 118.95 118.85 3kla s ARG 111 Ca -0.04 -0.10 0.07 0.00 -0.13 0.00 0.00 55.73 55.54 3kla s ARG 111 Cb 0.01 0.52 -0.04 0.00 -1.56 0.00 0.00 34.95 33.88 3kla s ARG 111 CO 0.05 -0.42 -0.15 0.20 -0.81 0.00 0.00 175.30 174.17 3kla s GLY 112 N -1.94 1.36 -0.02 8.12 0.00 -1.26 -0.72 107.32 112.86 3kla s GLY 112 Ca -0.04 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.06 3kla s GLY 112 CO -0.02 -1.66 0.11 -0.19 0.00 0.00 0.00 173.10 171.34 3kla s TYR 113 N -2.73 -0.03 -0.25 1.90 1.51 -0.19 -4.87 117.35 112.69 3kla s TYR 113 Ca 0.19 0.09 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 3kla s TYR 113 Cb -0.02 -0.01 0.14 0.00 -0.11 0.00 0.00 41.96 41.96 3kla s TYR 113 CO 0.06 -0.14 0.43 -1.58 -1.11 0.00 0.00 175.55 173.21 3kla s HIS 114 N -0.52 -1.01 0.09 2.71 2.46 -1.26 -1.69 115.29 116.06 3kla s HIS 114 Ca -0.06 1.10 0.02 0.00 0.47 0.00 0.00 55.06 56.59 3kla s HIS 114 Cb -0.04 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.55 3kla s HIS 114 CO 0.00 -0.74 -0.07 1.14 -2.47 0.00 0.00 174.74 172.60 3kla s GLN 115 N 2.63 0.78 -0.01 2.88 -2.07 0.22 -0.78 119.66 123.31 3kla s GLN 115 Ca 0.14 -1.21 0.02 0.00 -1.82 0.00 0.00 55.36 52.48 3kla s GLN 115 Cb -0.15 -0.26 0.00 0.00 -1.09 0.00 0.00 33.01 31.51 3kla s GLN 115 CO -0.17 0.01 -0.05 -0.47 -1.32 0.00 0.00 175.29 173.29 3kla s TYR 116 N -3.09 0.51 0.06 9.60 5.04 0.07 -1.23 117.35 128.32 3kla s TYR 116 Ca 0.07 -0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.67 3kla s TYR 116 Cb 0.02 -0.36 -0.03 0.00 0.35 0.00 0.00 41.96 41.94 3kla s TYR 116 CO -0.03 -0.04 -0.17 0.00 -1.34 0.00 0.00 175.55 173.97 3kla s ALA 117 N 0.06 1.47 -0.09 3.97 0.00 0.30 -0.97 121.76 126.50 3kla s ALA 117 Ca -0.00 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.98 3kla s ALA 117 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3kla s ALA 117 CO -0.00 0.29 -0.21 -0.47 0.00 0.00 0.00 175.76 175.36 3kla s TYR 118 N -0.97 2.33 -1.63 0.00 5.04 -0.40 -1.61 117.35 120.10 3kla s TYR 118 Ca 0.04 -0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 53.57 3kla s TYR 118 Cb -0.09 -1.58 0.12 0.00 0.35 0.00 0.00 41.96 40.76 3kla s TYR 118 CO 0.02 -0.40 0.72 -0.25 -1.34 0.00 0.00 175.55 174.30 3kla n ASP 119 N 3.61 -2.75 0.00 4.32 8.00 0.11 -2.26 116.55 127.56 3kla n ASP 119 Ca -0.20 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3kla n ASP 119 Cb 0.53 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 3kla n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kla n GLY 120 N -1.56 0.75 3.31 0.44 0.00 -1.26 -5.02 105.19 101.85 3kla n GLY 120 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3kla n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kla s LYS 121 N -0.14 1.48 0.28 1.61 2.20 -0.96 -5.10 119.74 119.11 3kla s LYS 121 Ca 0.00 -1.09 -0.28 0.00 -0.36 0.00 0.00 55.97 54.24 3kla s LYS 121 Cb 0.00 -1.70 -0.14 0.00 -1.51 0.00 0.00 37.83 34.48 3kla s LYS 121 CO 0.00 0.42 0.97 -0.25 -0.36 0.00 0.00 175.35 176.13 3kla n ASP 122 N 1.56 1.08 0.02 1.43 8.00 -1.26 -1.28 116.55 126.10 3kla n ASP 122 Ca -0.18 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.49 3kla n ASP 122 Cb 0.53 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3kla n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kla n TYR 123 N 0.22 0.00 -3.75 1.24 9.36 -0.14 -4.69 117.16 119.40 3kla n TYR 123 Ca 0.10 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 3kla n TYR 123 Cb 0.31 -0.05 -0.08 0.00 -0.63 0.00 0.00 39.34 38.89 3kla n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kla s ILE 124 N -1.77 0.06 -0.08 2.97 2.07 -1.08 -1.42 121.20 121.95 3kla s ILE 124 Ca -0.03 -0.53 -0.12 0.00 -1.41 0.00 0.00 60.65 58.56 3kla s ILE 124 Cb 0.00 -0.72 0.03 0.00 0.13 0.00 0.00 42.46 41.90 3kla s ILE 124 CO 0.04 -0.29 0.30 0.00 -1.91 0.00 0.00 174.94 173.08 3kla s ALA 125 N -1.70 -0.75 0.09 1.50 0.00 -0.66 -0.75 121.76 119.48 3kla s ALA 125 Ca -0.11 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 3kla s ALA 125 Cb -0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 3kla s ALA 125 CO 0.02 -0.18 1.39 -1.17 0.00 0.00 0.00 175.76 175.82 3kla s LEU 126 N -0.36 4.36 0.94 0.00 2.96 0.04 -0.40 118.68 126.22 3kla s LEU 126 Ca -0.05 2.27 -0.11 0.00 -0.22 0.00 0.00 54.13 56.02 3kla s LEU 126 Cb -0.03 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.23 3kla s LEU 126 CO 0.02 -0.66 1.09 -0.54 -1.32 0.00 0.00 176.35 174.93 3kla s LYS 127 N 1.43 0.91 0.52 1.98 1.02 -0.35 -4.58 119.74 120.67 3kla s LYS 127 Ca 0.64 0.94 0.17 0.00 0.02 0.00 0.00 55.97 57.74 3kla s LYS 127 Cb -0.35 -1.76 1.27 0.00 -0.52 0.00 0.00 37.83 36.47 3kla s LYS 127 CO 0.29 -2.51 2.12 1.49 -0.92 0.00 0.00 175.35 175.82 3kla h GLU 128 N -1.75 0.03 0.00 1.68 4.81 -1.89 -1.01 114.58 116.45 3kla h GLU 128 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kla h GLU 128 Cb 1.29 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3kla h GLU 128 CO 0.52 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.42 3kla n ASP 129 N -4.51 0.00 -1.91 1.04 5.68 -1.26 -4.77 116.55 110.82 3kla n ASP 129 Ca -0.00 0.29 -0.18 0.00 -0.50 0.00 0.00 54.79 54.39 3kla n ASP 129 Cb 0.19 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 39.73 3kla n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kla n LEU 130 N -1.41 -1.71 0.00 -2.12 4.77 -0.38 -4.81 117.00 111.33 3kla n LEU 130 Ca 0.06 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3kla n LEU 130 Cb 0.19 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 3kla n LEU 130 CO 0.16 -0.36 0.02 0.54 -1.33 0.00 0.00 177.39 176.42 3kla n ARG 131 N -2.68 0.65 -4.13 3.23 1.74 -1.26 -4.49 116.66 109.71 3kla n ARG 131 Ca -0.21 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 3kla n ARG 131 Cb 0.65 -0.29 -0.08 0.00 -1.02 0.00 0.00 32.46 31.72 3kla n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kla s SER 132 N -0.10 0.23 0.03 0.55 1.04 -1.26 -4.94 113.70 109.25 3kla s SER 132 Ca 0.00 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.20 3kla s SER 132 Cb 0.00 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 3kla s SER 132 CO 0.00 -0.99 -0.12 0.26 0.98 0.00 0.00 173.24 173.37 3kla s TRP 133 N -3.98 1.08 -0.31 5.02 0.52 -1.26 -1.21 118.94 118.81 3kla s TRP 133 Ca 0.33 -0.33 -0.08 0.00 0.02 0.00 0.00 56.10 56.04 3kla s TRP 133 Cb 0.04 -0.65 0.00 0.00 -1.15 0.00 0.00 33.47 31.71 3kla s TRP 133 CO 0.13 0.01 0.13 0.99 0.02 0.00 0.00 176.95 178.22 3kla s THR 134 N -0.78 4.32 -0.22 2.01 2.01 0.46 -4.87 115.64 118.58 3kla s THR 134 Ca 0.01 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 3kla s THR 134 Cb -0.07 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3kla s THR 134 CO 0.01 0.05 0.24 0.00 -0.69 0.00 0.00 174.62 174.23 3kla s ALA 135 N 1.56 3.60 -0.22 7.40 0.00 -1.26 -1.65 121.76 131.19 3kla s ALA 135 Ca 0.04 -0.72 0.22 0.00 0.00 0.00 0.00 51.96 51.50 3kla s ALA 135 Cb -0.17 -2.40 0.47 0.00 0.00 0.00 0.00 23.12 21.01 3kla s ALA 135 CO 0.05 -0.15 1.64 0.00 0.00 0.00 0.00 175.76 177.29 3kla h ALA 136 N 7.29 0.91 -3.08 0.00 0.00 -1.52 -3.46 119.26 119.41 3kla h ALA 136 Ca -0.38 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3kla h ALA 136 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kla h ALA 136 CO 0.70 0.21 0.09 -0.40 0.00 0.00 0.00 179.25 179.84 3kla n ASP 137 N -3.17 -1.48 -0.00 0.00 5.68 -1.26 -5.04 116.55 111.28 3kla n ASP 137 Ca 0.03 -2.28 -0.09 0.00 -0.50 0.00 0.00 54.79 51.94 3kla n ASP 137 Cb 0.54 2.54 -0.03 0.00 -1.14 0.00 0.00 41.12 43.03 3kla n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3kla h MET 138 N 0.00 -0.24 -0.50 0.11 4.05 -1.99 -2.58 114.93 113.79 3kla h MET 138 Ca -0.24 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.29 3kla h MET 138 Cb 0.92 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.70 3kla h MET 138 CO 0.30 -0.16 0.10 0.00 0.23 0.00 0.00 176.91 177.39 3kla h ALA 139 N 0.77 0.57 0.00 0.39 0.00 -1.98 -2.35 119.26 116.66 3kla h ALA 139 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kla h ALA 139 Cb 0.39 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kla h ALA 139 CO -0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 179.25 178.60 3kla h ALA 140 N 1.39 1.07 0.00 0.00 0.00 -1.76 -2.31 119.26 117.65 3kla h ALA 140 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kla h ALA 140 Cb 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kla h ALA 140 CO -0.33 0.08 -0.12 1.96 0.00 0.00 0.00 179.25 180.84 3kla h GLN 141 N 0.00 0.00 -0.13 0.00 4.20 -1.07 0.70 115.11 118.81 3kla h GLN 141 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3kla h GLN 141 Cb 0.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.21 3kla h GLN 141 CO 0.01 0.12 -0.82 1.15 -0.67 0.00 0.00 178.83 178.62 3kla h THR 142 N 0.00 1.28 -0.47 -0.54 2.02 -1.51 -1.10 112.91 112.57 3kla h THR 142 Ca -0.00 -2.02 -0.04 0.00 0.77 0.00 0.00 66.41 65.13 3kla h THR 142 Cb 0.26 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3kla h THR 142 CO 0.02 0.64 0.16 0.74 0.37 0.00 0.00 175.52 177.44 3kla h THR 143 N 0.52 1.22 -0.26 3.16 2.02 -1.50 -2.16 112.91 115.91 3kla h THR 143 Ca -0.06 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.45 3kla h THR 143 Cb 1.45 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3kla h THR 143 CO 0.17 0.27 -0.15 0.50 0.37 0.00 0.00 175.52 176.67 3kla h LYS 144 N 0.63 -0.12 -0.62 6.66 3.64 -0.73 0.31 116.57 126.34 3kla h LYS 144 Ca 0.15 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3kla h LYS 144 Cb 0.25 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3kla h LYS 144 CO -0.01 -0.08 0.41 0.45 -2.27 0.00 0.00 179.45 177.95 3kla h HIS 145 N -0.13 0.77 -0.17 1.91 3.86 -1.13 0.51 115.15 120.77 3kla h HIS 145 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3kla h HIS 145 Cb 0.34 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3kla h HIS 145 CO -0.33 0.47 0.08 -0.22 0.86 0.00 0.00 177.93 178.79 3kla h LYS 146 N 0.82 0.25 -0.08 2.45 3.64 -0.89 -0.81 116.57 121.96 3kla h LYS 146 Ca 0.23 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 3kla h LYS 146 Cb -0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3kla h LYS 146 CO -0.06 0.30 -0.48 -1.49 -2.27 0.00 0.00 179.45 175.45 3kla h TRP 147 N 0.14 0.24 -0.10 1.91 4.06 -0.84 -1.85 115.95 119.52 3kla h TRP 147 Ca 0.06 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3kla h TRP 147 Cb 0.13 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3kla h TRP 147 CO -0.02 0.64 0.06 0.93 -3.56 0.00 0.00 178.44 176.49 3kla h GLU 148 N 0.16 0.13 0.00 0.49 5.08 -0.74 -1.39 114.58 118.31 3kla h GLU 148 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kla h GLU 148 Cb 0.91 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kla h GLU 148 CO 0.07 0.11 -0.08 0.00 -1.00 0.00 0.00 179.01 178.11 3kla h ALA 149 N 1.01 1.02 -0.51 3.43 0.00 -0.82 -2.42 119.26 120.97 3kla h ALA 149 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kla h ALA 149 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kla h ALA 149 CO -0.01 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3kla n ALA 150 N -2.15 2.38 -3.98 0.00 0.00 -0.72 -4.98 120.51 111.06 3kla n ALA 150 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 53.44 52.02 3kla n ALA 150 Cb 0.35 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.96 3kla n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kla n HIS 151 N 1.47 -2.03 -0.30 0.00 -0.00 -0.81 -4.89 115.22 108.65 3kla n HIS 151 Ca 0.21 0.85 -0.05 0.00 -0.00 0.00 0.00 57.72 58.73 3kla n HIS 151 Cb 0.59 -3.72 0.07 0.00 -0.00 0.00 0.00 29.99 26.93 3kla n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3kla h VAL 152 N -1.88 1.26 -0.97 1.59 2.07 -1.55 -2.86 116.25 113.91 3kla h VAL 152 Ca -0.59 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.30 3kla h VAL 152 Cb 1.38 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 3kla h VAL 152 CO 0.68 0.32 0.61 0.00 0.02 0.00 0.00 177.57 179.21 3kla h ALA 153 N 1.20 1.64 -0.36 1.67 0.00 -1.89 -2.22 119.26 119.29 3kla h ALA 153 Ca 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3kla h ALA 153 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kla h ALA 153 CO -0.03 0.10 -0.15 0.93 0.00 0.00 0.00 179.25 180.09 3kla h GLU 154 N 0.87 0.66 -0.27 0.00 3.07 -1.74 0.35 114.58 117.52 3kla h GLU 154 Ca 0.49 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 3kla h GLU 154 Cb 0.62 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3kla h GLU 154 CO -0.26 0.79 -0.39 1.96 -1.40 0.00 0.00 179.01 179.70 3kla h GLN 155 N 0.60 0.74 -0.33 2.33 4.20 -1.47 -2.50 115.11 118.66 3kla h GLN 155 Ca 0.10 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 3kla h GLN 155 Cb 0.60 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3kla h GLN 155 CO 0.04 1.06 0.02 -0.07 -0.67 0.00 0.00 178.83 179.21 3kla h LEU 156 N 0.48 0.56 -0.31 1.46 3.38 -1.09 -2.89 115.31 116.89 3kla h LEU 156 Ca 0.03 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.76 3kla h LEU 156 Cb 0.98 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3kla h LEU 156 CO 0.09 0.71 -0.03 -0.09 0.09 0.00 0.00 178.44 179.22 3kla h ARG 157 N 0.38 0.05 -0.93 1.13 2.43 -0.28 0.79 114.38 117.96 3kla h ARG 157 Ca 0.10 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3kla h ARG 157 Cb 0.42 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.88 3kla h ARG 157 CO 0.01 0.04 0.57 0.00 -1.51 0.00 0.00 179.97 179.08 3kla h ALA 158 N 1.29 1.36 -0.08 2.80 0.00 -1.42 -0.89 119.26 122.31 3kla h ALA 158 Ca 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kla h ALA 158 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kla h ALA 158 CO -0.28 0.20 -0.09 -0.92 0.00 0.00 0.00 179.25 178.17 3kla h TYR 159 N 0.93 0.25 -0.26 0.00 3.20 -1.17 -2.15 116.97 117.77 3kla h TYR 159 Ca 0.45 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 62.12 3kla h TYR 159 Cb 0.40 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3kla h TYR 159 CO -0.03 0.64 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.72 3kla h LEU 160 N -0.22 0.61 0.00 2.82 3.38 -0.33 0.15 115.31 121.72 3kla h LEU 160 Ca 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3kla h LEU 160 Cb 0.60 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3kla h LEU 160 CO 0.02 0.91 -0.36 -0.33 0.09 0.00 0.00 178.44 178.77 3kla h GLU 161 N 0.49 0.00 0.00 1.13 5.08 -1.29 -3.37 114.58 116.62 3kla h GLU 161 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kla h GLU 161 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3kla h GLU 161 CO 0.07 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 3kla n GLY 162 N 1.15 0.59 0.30 -3.84 0.00 -0.81 -4.67 105.19 97.91 3kla n GLY 162 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3kla n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kla h THR 163 N 0.00 0.74 -0.53 2.61 1.03 -1.53 -1.58 112.91 113.65 3kla h THR 163 Ca 0.00 -0.21 0.06 0.00 -0.01 0.00 0.00 66.41 66.25 3kla h THR 163 Cb 0.00 0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 67.10 3kla h THR 163 CO 0.00 0.11 0.25 0.00 -0.01 0.00 0.00 175.52 175.87 3kla h VAL 165 N 0.47 1.34 -0.33 0.00 -1.51 -1.48 -0.74 116.25 114.00 3kla h VAL 165 Ca 0.25 -1.85 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 3kla h VAL 165 Cb 0.20 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 3kla h VAL 165 CO -0.20 0.57 0.16 -0.33 -1.23 0.00 0.00 177.57 176.53 3kla h GLU 166 N 0.36 0.48 -0.32 5.19 5.08 -0.77 -0.78 114.58 123.80 3kla h GLU 166 Ca 0.00 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3kla h GLU 166 Cb 1.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3kla h GLU 166 CO 0.10 0.44 -0.14 -1.49 -1.00 0.00 0.00 179.01 176.92 3kla h TRP 167 N 0.40 0.77 -0.60 4.33 4.06 -0.96 -2.00 115.95 121.93 3kla h TRP 167 Ca 0.11 -0.19 0.10 0.00 2.06 0.00 0.00 58.89 60.97 3kla h TRP 167 Cb 0.13 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 28.03 3kla h TRP 167 CO -0.02 0.88 0.21 1.25 -3.56 0.00 0.00 178.44 177.20 3kla h LEU 168 N 0.44 0.20 -0.82 -4.49 5.85 -0.96 -0.13 115.31 115.39 3kla h LEU 168 Ca 0.07 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kla h LEU 168 Cb 0.67 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3kla h LEU 168 CO 0.04 0.12 0.51 0.03 -0.34 0.00 0.00 178.44 178.80 3kla h ARG 169 N 0.39 1.10 -0.51 1.25 3.08 -1.01 -1.04 114.38 117.63 3kla h ARG 169 Ca 0.31 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3kla h ARG 169 Cb 0.39 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3kla h ARG 169 CO -0.32 0.76 0.30 -0.09 -1.07 0.00 0.00 179.97 179.56 3kla h ARG 170 N 1.12 0.70 -0.68 0.04 2.43 -0.54 -1.97 114.38 115.48 3kla h ARG 170 Ca 0.30 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3kla h ARG 170 Cb -0.07 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3kla h ARG 170 CO -0.06 0.52 0.28 1.88 -1.51 0.00 0.00 179.97 181.09 3kla h TYR 171 N 0.68 1.03 -0.43 2.20 0.05 -0.70 -1.43 116.97 118.37 3kla h TYR 171 Ca 0.18 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 3kla h TYR 171 Cb 0.01 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 3kla h TYR 171 CO -0.02 0.80 0.03 -0.07 -1.05 0.00 0.00 178.16 177.84 3kla h LEU 172 N 0.97 0.65 0.06 3.88 3.38 -0.91 0.12 115.31 123.46 3kla h LEU 172 Ca 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kla h LEU 172 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kla h LEU 172 CO -0.02 0.71 -0.03 -0.33 0.09 0.00 0.00 178.44 178.86 3kla h GLU 173 N 0.66 -0.08 -0.19 1.13 5.08 -1.15 -2.63 114.58 117.40 3kla h GLU 173 Ca 0.14 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 3kla h GLU 173 Cb 0.37 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3kla h GLU 173 CO 0.01 0.37 -0.54 -0.91 -1.00 0.00 0.00 179.01 176.94 3kla h ASN 174 N -0.56 0.61 -0.74 1.42 -0.26 -1.07 -2.59 115.58 112.40 3kla h ASN 174 Ca -0.01 -0.32 -0.38 0.00 -0.56 0.00 0.00 56.30 55.03 3kla h ASN 174 Cb 0.49 -0.17 -0.23 0.00 -1.06 0.00 0.00 38.32 37.34 3kla h ASN 174 CO 0.01 1.03 0.49 0.61 -1.06 0.00 0.00 177.43 178.51 3kla n GLY 175 N 0.23 3.85 0.38 2.83 0.00 0.39 -4.76 105.19 108.12 3kla n GLY 175 Ca -0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 3kla n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kla h LYS 176 N 0.74 -0.02 0.00 1.61 3.64 -1.06 0.40 116.57 121.88 3kla h LYS 176 Ca 0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 3kla h LYS 176 Cb 2.38 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.20 3kla h LYS 176 CO 0.82 -0.01 -0.09 0.93 -2.27 0.00 0.00 179.45 178.83 3kla h GLU 177 N -0.02 0.00 0.00 1.90 5.08 -1.87 -1.89 114.58 117.78 3kla h GLU 177 Ca 0.34 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.49 3kla h GLU 177 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3kla h GLU 177 CO -0.96 0.09 -1.32 2.41 -1.00 0.00 0.00 179.01 178.23 3kla n THR 178 N -4.31 1.51 0.06 1.13 -1.04 -0.36 -4.51 114.28 106.76 3kla n THR 178 Ca -0.03 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.81 3kla n THR 178 Cb 0.17 -2.11 -0.14 0.00 -1.82 0.00 0.00 70.33 66.43 3kla n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kla h LEU 179 N -1.00 0.31 -2.31 -4.42 3.38 -0.28 -3.30 115.31 107.68 3kla h LEU 179 Ca -0.32 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3kla h LEU 179 Cb 1.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kla h LEU 179 CO -0.19 1.34 0.00 0.00 0.09 0.00 0.00 178.44 179.68 3kla n GLN 180 N -3.41 2.94 -3.31 1.13 6.02 -0.71 -4.90 117.38 115.12 3kla n GLN 180 Ca -0.13 -1.99 -0.31 0.00 -0.01 0.00 0.00 57.00 54.56 3kla n GLN 180 Cb 1.03 -1.72 -0.05 0.00 1.02 0.00 0.00 30.24 30.52 3kla n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3kla s ARG 181 N -1.77 3.77 -0.06 -1.09 1.70 -1.25 -5.03 118.95 115.23 3kla s ARG 181 Ca 0.36 0.26 0.06 0.00 -0.47 0.00 0.00 55.73 55.94 3kla s ARG 181 Cb 0.23 -2.60 -0.01 0.00 -0.57 0.00 0.00 34.95 32.00 3kla s ARG 181 CO 0.17 0.24 -0.25 0.95 -1.08 0.00 0.00 175.30 175.33 3kla s THR 182 N -1.95 2.04 -0.33 4.99 -4.23 -1.26 -4.68 115.64 110.22 3kla s THR 182 Ca 0.47 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 3kla s THR 182 Cb -0.11 -1.72 0.05 0.00 1.34 0.00 0.00 72.50 72.06 3kla s THR 182 CO 0.24 0.57 0.07 -1.81 -0.54 0.00 0.00 174.62 173.14 3kla s ASP 183 N -0.18 5.14 0.53 3.99 1.01 0.01 -4.96 116.67 122.21 3kla s ASP 183 Ca -0.03 -1.24 -0.20 0.00 0.71 0.00 0.00 52.55 51.79 3kla s ASP 183 Cb -0.14 -1.80 -0.06 0.00 1.01 0.00 0.00 42.92 41.93 3kla s ASP 183 CO 0.03 -0.31 1.14 0.00 0.21 0.00 0.00 175.17 176.24 3kla s ALA 184 N 1.33 2.74 0.30 5.23 0.00 -1.26 -1.05 121.76 129.04 3kla s ALA 184 Ca -0.03 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 3kla s ALA 184 Cb -0.20 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3kla s ALA 184 CO 0.01 -0.76 1.45 -1.25 0.00 0.00 0.00 175.76 175.21 3kla s PRO 185 N -3.19 4.22 -0.09 0.00 0.04 -1.26 -4.54 135.00 130.18 3kla s PRO 185 Ca 0.71 2.39 -0.24 0.00 0.04 0.00 0.00 61.00 63.91 3kla s PRO 185 Cb -0.25 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 3kla s PRO 185 CO 0.28 -0.44 0.72 0.15 0.04 0.00 0.00 177.00 177.75 3kla s LYS 186 N -1.01 4.41 0.18 4.56 1.02 0.39 -4.86 119.74 124.43 3kla s LYS 186 Ca 0.57 0.89 0.11 0.00 0.02 0.00 0.00 55.97 57.55 3kla s LYS 186 Cb -0.44 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3kla s LYS 186 CO 0.50 -0.01 -0.21 0.95 -0.92 0.00 0.00 175.35 175.67 3kla s THR 187 N 1.04 2.55 0.22 2.17 -4.23 -1.26 -0.76 115.64 115.37 3kla s THR 187 Ca 0.37 -1.92 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3kla s THR 187 Cb -0.17 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.49 3kla s THR 187 CO 0.17 -0.09 0.85 -1.38 -0.54 0.00 0.00 174.62 173.63 3kla s HIS 188 N -1.62 -0.14 0.06 3.99 -3.43 -1.06 -5.01 115.29 108.08 3kla s HIS 188 Ca 0.21 -0.25 0.09 0.00 -0.80 0.00 0.00 55.06 54.31 3kla s HIS 188 Cb -0.08 0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 3kla s HIS 188 CO 0.11 -1.04 -0.24 1.41 -2.00 0.00 0.00 174.74 172.98 3kla s MET 189 N -3.49 1.53 0.12 -0.38 1.75 -1.26 -0.44 119.30 117.15 3kla s MET 189 Ca 0.12 -1.09 0.09 0.00 -1.25 0.00 0.00 55.69 53.55 3kla s MET 189 Cb -0.04 -1.75 -0.04 0.00 2.84 0.00 0.00 34.83 35.84 3kla s MET 189 CO 0.05 0.44 -0.15 0.95 -0.65 0.00 0.00 175.02 175.66 3kla s THR 190 N -0.88 3.01 -0.13 10.11 -4.23 0.28 -4.95 115.64 118.85 3kla s THR 190 Ca 0.10 -1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3kla s THR 190 Cb -0.10 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3kla s THR 190 CO 0.03 0.07 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.82 3kla s HIS 191 N -1.24 1.64 -0.11 3.99 2.46 -1.26 -1.17 115.29 119.61 3kla s HIS 191 Ca 0.20 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 54.86 3kla s HIS 191 Cb -0.10 -1.31 0.02 0.00 -0.13 0.00 0.00 32.58 31.06 3kla s HIS 191 CO 0.12 -0.56 -0.10 -1.58 -2.47 0.00 0.00 174.74 170.15 3kla s HIS 192 N 1.66 1.63 -0.68 3.88 5.04 -0.48 -4.96 115.29 121.38 3kla s HIS 192 Ca 0.04 -0.81 -0.26 0.00 -1.54 0.00 0.00 55.06 52.49 3kla s HIS 192 Cb -0.13 -1.28 -0.01 0.00 0.04 0.00 0.00 32.58 31.20 3kla s HIS 192 CO -0.09 -0.50 1.69 0.00 -2.34 0.00 0.00 174.74 173.51 3kla s ALA 193 N 1.45 2.31 -0.13 1.58 0.00 -1.26 -0.10 121.76 125.61 3kla s ALA 193 Ca 0.01 -0.95 0.29 0.00 0.00 0.00 0.00 51.96 51.31 3kla s ALA 193 Cb -0.13 -4.32 0.93 0.00 0.00 0.00 0.00 23.12 19.60 3kla s ALA 193 CO -0.06 -3.78 1.83 0.28 0.00 0.00 0.00 175.76 174.02 3kla h VAL 194 N 6.67 0.00 -3.13 0.00 2.07 -1.84 -3.46 116.25 116.57 3kla h VAL 194 Ca -0.23 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3kla h VAL 194 Cb 1.12 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3kla h VAL 194 CO 1.24 0.00 0.23 -0.94 0.02 0.00 0.00 177.57 178.12 3kla s SER 195 N -5.90 0.15 0.49 0.57 1.04 -1.13 -5.01 113.70 103.90 3kla s SER 195 Ca 0.04 -1.25 0.22 0.00 0.48 0.00 0.00 55.95 55.43 3kla s SER 195 Cb 0.07 0.85 1.26 0.00 0.10 0.00 0.00 66.02 68.30 3kla s SER 195 CO 0.60 -1.69 1.95 -2.24 0.98 0.00 0.00 173.24 172.84 3kla h ASP 196 N 2.01 0.17 -0.03 7.02 3.04 -2.02 -3.11 116.42 123.49 3kla h ASP 196 Ca -0.33 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 3kla h ASP 196 Cb 1.25 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 3kla h ASP 196 CO 0.42 0.09 0.00 0.00 -2.04 0.00 0.00 179.24 177.71 3kla n HIS 197 N -4.41 0.04 -4.03 4.15 1.44 -1.26 -5.01 115.22 106.14 3kla n HIS 197 Ca 0.13 -0.27 -0.09 0.00 -2.01 0.00 0.00 57.72 55.48 3kla n HIS 197 Cb 0.61 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.59 3kla n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kla s GLU 198 N -0.61 0.45 0.02 -1.40 2.02 -1.17 -2.72 118.70 115.27 3kla s GLU 198 Ca 0.03 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.21 3kla s GLU 198 Cb 0.02 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.30 3kla s GLU 198 CO 0.03 -0.05 -0.07 0.00 0.02 0.00 0.00 175.26 175.19 3kla s ALA 199 N -2.22 0.51 -0.10 5.21 0.00 -0.60 -2.52 121.76 122.05 3kla s ALA 199 Ca -0.08 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 3kla s ALA 199 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3kla s ALA 199 CO -0.03 0.06 0.75 0.99 0.00 0.00 0.00 175.76 177.52 3kla s THR 200 N -0.66 4.99 -0.20 0.00 2.01 0.86 -0.52 115.64 122.12 3kla s THR 200 Ca -0.03 1.51 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 3kla s THR 200 Cb -0.05 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3kla s THR 200 CO 0.00 0.17 0.04 -0.76 -0.69 0.00 0.00 174.62 173.38 3kla s LEU 201 N 1.30 3.54 -0.12 4.42 1.43 0.78 -1.38 118.68 128.65 3kla s LEU 201 Ca 0.38 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3kla s LEU 201 Cb -0.17 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3kla s LEU 201 CO 0.16 0.09 -0.20 -0.60 0.23 0.00 0.00 176.35 176.04 3kla s ARG 202 N 0.87 2.73 -0.26 1.70 3.52 -0.31 -0.97 118.95 126.22 3kla s ARG 202 Ca 0.03 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 3kla s ARG 202 Cb -0.14 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3kla s ARG 202 CO 0.02 -0.01 0.13 0.00 -0.81 0.00 0.00 175.30 174.63 3kla s TRP 204 N 1.54 3.19 -0.12 0.00 0.52 0.42 -1.31 118.94 123.18 3kla s TRP 204 Ca 0.06 0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.41 3kla s TRP 204 Cb -0.15 -1.80 0.02 0.00 -1.15 0.00 0.00 33.47 30.39 3kla s TRP 204 CO 0.07 0.49 -0.15 0.00 0.02 0.00 0.00 176.95 177.37 3kla s ALA 205 N -0.89 1.77 0.11 0.98 0.00 -0.08 -2.58 121.76 121.08 3kla s ALA 205 Ca 0.13 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3kla s ALA 205 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kla s ALA 205 CO 0.02 -0.14 -0.15 -0.51 0.00 0.00 0.00 175.76 174.99 3kla s LEU 206 N 1.08 2.37 -1.34 0.00 1.43 0.06 -1.14 118.68 121.14 3kla s LEU 206 Ca -0.04 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.24 3kla s LEU 206 Cb -0.15 -0.62 0.01 0.00 0.03 0.00 0.00 46.19 45.47 3kla s LEU 206 CO -0.03 -0.10 0.72 -0.24 0.23 0.00 0.00 176.35 176.93 3kla n SER 207 N 0.71 -5.77 -4.85 2.29 2.88 -0.71 -0.46 113.62 107.71 3kla n SER 207 Ca -0.17 -0.33 -0.23 0.00 -1.33 0.00 0.00 58.87 56.81 3kla n SER 207 Cb 0.56 -4.52 -0.04 0.00 -0.75 0.00 0.00 64.21 59.45 3kla n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kla s PHE 208 N -3.17 3.21 -0.24 0.66 -0.71 -1.09 -4.65 117.98 111.99 3kla s PHE 208 Ca 0.36 -0.05 -0.17 0.00 -1.04 0.00 0.00 56.93 56.03 3kla s PHE 208 Cb -0.16 -1.48 0.07 0.00 -1.21 0.00 0.00 43.02 40.24 3kla s PHE 208 CO 0.44 0.51 0.61 -0.47 -1.34 0.00 0.00 175.22 174.97 3kla s TYR 209 N -1.96 -0.81 0.48 3.49 5.04 -0.21 -0.73 117.35 122.64 3kla s TYR 209 Ca 0.33 1.78 -0.08 0.00 -2.44 0.00 0.00 57.07 56.65 3kla s TYR 209 Cb -0.09 0.39 0.11 0.00 0.35 0.00 0.00 41.96 42.73 3kla s TYR 209 CO 0.25 -0.41 0.59 -0.35 -1.34 0.00 0.00 175.55 174.30 3kla n PRO 210 N 3.62 -0.93 0.16 4.97 -0.04 -1.26 -0.81 135.00 140.69 3kla n PRO 210 Ca -0.18 -0.92 0.02 0.00 -0.04 0.00 0.00 63.50 62.39 3kla n PRO 210 Cb 0.57 -0.66 0.20 0.00 -0.04 0.00 0.00 33.50 33.56 3kla n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kla h ALA 211 N -2.01 0.86 -2.48 0.55 0.00 -1.95 -3.45 119.26 110.78 3kla h ALA 211 Ca -0.20 -0.47 -0.54 0.00 0.00 0.00 0.00 54.91 53.71 3kla h ALA 211 Cb 0.56 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.31 3kla h ALA 211 CO 0.14 0.64 1.06 -1.91 0.00 0.00 0.00 179.25 179.18 3kla n GLU 212 N -3.50 2.70 -3.56 0.00 4.07 -1.26 -4.96 120.64 114.13 3kla n GLU 212 Ca 0.00 0.98 -0.17 0.00 -0.06 0.00 0.00 57.16 57.91 3kla n GLU 212 Cb 0.62 -2.85 -0.06 0.00 -0.06 0.00 0.00 31.44 29.09 3kla n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kla s ILE 213 N 2.28 0.01 -0.09 6.31 2.07 -1.26 -4.61 121.20 125.91 3kla s ILE 213 Ca 0.81 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.99 3kla s ILE 213 Cb -0.52 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.14 3kla s ILE 213 CO 0.37 -0.05 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.26 3kla s THR 214 N -1.44 1.73 -0.11 4.00 2.01 -0.57 -5.00 115.64 116.27 3kla s THR 214 Ca -0.10 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3kla s THR 214 Cb -0.01 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.99 3kla s THR 214 CO 0.07 0.49 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.57 3kla s LEU 215 N 0.47 1.78 0.05 4.42 1.43 -1.26 -1.08 118.68 124.50 3kla s LEU 215 Ca -0.17 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3kla s LEU 215 Cb -0.17 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3kla s LEU 215 CO 0.07 0.04 -0.04 0.42 0.23 0.00 0.00 176.35 177.06 3kla s THR 216 N 0.88 0.34 0.06 5.49 -4.23 -0.51 -4.96 115.64 112.70 3kla s THR 216 Ca -0.09 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3kla s THR 216 Cb -0.15 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 3kla s THR 216 CO -0.00 -0.75 -0.03 0.26 -0.54 0.00 0.00 174.62 173.56 3kla s TRP 217 N -2.83 2.94 0.07 3.99 0.52 -1.26 0.27 118.94 122.64 3kla s TRP 217 Ca -0.01 -0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.14 3kla s TRP 217 Cb 0.00 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 3kla s TRP 217 CO -0.05 0.44 -0.15 -0.65 0.02 0.00 0.00 176.95 176.56 3kla s GLN 218 N -1.97 0.87 -0.19 4.98 -0.21 0.53 -1.55 119.66 122.12 3kla s GLN 218 Ca 0.22 -0.98 -0.00 0.00 0.02 0.00 0.00 55.36 54.62 3kla s GLN 218 Cb -0.11 -0.92 0.01 0.00 1.00 0.00 0.00 33.01 32.99 3kla s GLN 218 CO 0.14 0.21 -0.15 0.50 -2.12 0.00 0.00 175.29 173.86 3kla s ARG 219 N -1.74 3.08 -1.25 2.91 3.52 -0.08 -0.97 118.95 124.42 3kla s ARG 219 Ca -0.01 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 3kla s ARG 219 Cb -0.10 -2.70 0.06 0.00 -1.56 0.00 0.00 34.95 30.65 3kla s ARG 219 CO 0.03 -0.22 0.42 -0.25 -0.81 0.00 0.00 175.30 174.47 3kla n ASP 220 N 4.67 -3.87 0.00 -2.12 8.00 0.05 -1.10 116.55 122.18 3kla n ASP 220 Ca -0.20 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3kla n ASP 220 Cb 0.50 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 3kla n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kla n GLY 221 N -1.14 0.87 3.75 0.44 0.00 -1.26 -5.03 105.19 102.82 3kla n GLY 221 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3kla n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kla s GLU 222 N -0.04 4.16 0.34 1.61 0.41 -0.26 -5.01 118.70 119.91 3kla s GLU 222 Ca 0.00 0.15 -0.29 0.00 -0.41 0.00 0.00 54.97 54.43 3kla s GLU 222 Cb 0.00 -3.38 -0.10 0.00 -1.78 0.00 0.00 34.13 28.86 3kla s GLU 222 CO 0.00 0.33 1.35 -0.51 -0.49 0.00 0.00 175.26 175.94 3kla s ASP 223 N 0.17 6.68 -0.58 -0.19 -0.00 -1.26 -0.90 116.67 120.59 3kla s ASP 223 Ca 0.18 2.77 0.01 0.00 -0.00 0.00 0.00 52.55 55.51 3kla s ASP 223 Cb -0.14 -2.65 0.43 0.00 -0.00 0.00 0.00 42.92 40.56 3kla s ASP 223 CO 0.06 -0.61 1.74 0.00 -0.00 0.00 0.00 175.17 176.35 3kla n GLN 224 N 0.74 3.01 -0.16 8.23 1.13 -0.59 -4.84 117.38 124.89 3kla n GLN 224 Ca 0.00 -3.67 -0.02 0.00 -1.94 0.00 0.00 57.00 51.37 3kla n GLN 224 Cb 0.41 -2.28 0.07 0.00 0.11 0.00 0.00 30.24 28.55 3kla n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kla h THR 225 N 1.62 0.78 0.00 5.09 2.02 -1.92 -0.51 112.91 119.99 3kla h THR 225 Ca 0.51 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 3kla h THR 225 Cb 0.87 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3kla h THR 225 CO 1.29 0.06 -0.00 1.56 0.37 0.00 0.00 175.52 178.79 3kla h GLN 226 N 0.31 0.00 -0.45 6.66 4.20 -1.99 -2.88 115.11 120.96 3kla h GLN 226 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3kla h GLN 226 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kla h GLN 226 CO -0.28 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.63 3kla n ASP 227 N -3.09 3.24 -4.68 1.46 9.92 -0.29 -4.94 116.55 118.16 3kla n ASP 227 Ca 0.01 -1.96 -0.35 0.00 -0.53 0.00 0.00 54.79 51.96 3kla n ASP 227 Cb 0.33 -0.30 -0.09 0.00 -0.64 0.00 0.00 41.12 40.42 3kla n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kla s THR 228 N -1.05 5.19 -0.24 -3.53 2.01 -0.63 -4.54 115.64 112.86 3kla s THR 228 Ca 0.32 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 3kla s THR 228 Cb 0.17 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 3kla s THR 228 CO 0.23 0.42 0.45 -0.70 -0.69 0.00 0.00 174.62 174.34 3kla s GLU 229 N 0.53 4.11 -0.02 4.92 2.12 0.29 -4.93 118.70 125.71 3kla s GLU 229 Ca 0.06 0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.71 3kla s GLU 229 Cb -0.12 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3kla s GLU 229 CO 0.00 -0.21 -0.25 -1.17 -0.54 0.00 0.00 175.26 173.09 3kla s LEU 230 N 1.87 2.05 0.20 2.70 2.96 -1.26 -0.10 118.68 127.09 3kla s LEU 230 Ca 0.20 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 3kla s LEU 230 Cb -0.15 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3kla s LEU 230 CO 0.09 0.30 0.12 0.68 -1.32 0.00 0.00 176.35 176.22 3kla s VAL 231 N -0.52 4.29 0.35 1.68 -7.23 -1.08 -5.04 120.40 112.84 3kla s VAL 231 Ca 0.08 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 3kla s VAL 231 Cb -0.10 -3.23 -0.11 0.00 0.56 0.00 0.00 36.38 33.50 3kla s VAL 231 CO -0.00 -0.20 1.54 -0.70 -0.31 0.00 0.00 175.10 175.42 3kla s GLU 232 N -3.35 4.10 0.29 4.82 2.12 -1.26 -4.61 118.70 120.80 3kla s GLU 232 Ca 0.31 2.60 -0.30 0.00 0.36 0.00 0.00 54.97 57.94 3kla s GLU 232 Cb -0.09 -2.98 -0.13 0.00 0.26 0.00 0.00 34.13 31.20 3kla s GLU 232 CO 0.23 -0.59 1.42 2.41 -0.54 0.00 0.00 175.26 178.19 3kla n THR 233 N 1.02 1.30 -4.26 -1.70 -1.04 -1.26 -4.85 114.28 103.48 3kla n THR 233 Ca 0.03 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.05 61.55 3kla n THR 233 Cb 0.38 -1.64 -0.13 0.00 -1.82 0.00 0.00 70.33 67.12 3kla n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kla s ARG 234 N -0.91 0.72 0.22 -2.82 1.70 -0.54 -4.96 118.95 112.36 3kla s ARG 234 Ca 0.63 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 55.02 3kla s ARG 234 Cb -0.58 -0.66 -0.08 0.00 -0.57 0.00 0.00 34.95 33.05 3kla s ARG 234 CO 0.53 0.16 1.13 -1.25 -1.08 0.00 0.00 175.30 174.80 3kla s PRO 235 N -0.88 4.58 0.45 3.89 0.04 -1.26 -0.72 135.00 141.09 3kla s PRO 235 Ca -0.01 1.80 0.25 0.00 0.04 0.00 0.00 61.00 63.08 3kla s PRO 235 Cb -0.06 -3.23 0.76 0.00 0.04 0.00 0.00 34.50 32.00 3kla s PRO 235 CO 0.00 0.08 1.75 0.00 0.04 0.00 0.00 177.00 178.88 3kla h ALA 236 N 4.62 0.96 0.00 8.56 0.00 -0.72 -3.47 119.26 129.21 3kla h ALA 236 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kla h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kla h ALA 236 CO 0.71 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3kla n GLY 237 N 0.54 1.25 0.74 0.00 0.00 -1.26 -4.92 105.19 101.54 3kla n GLY 237 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3kla n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kla n ASP 238 N 0.00 3.47 0.00 1.61 5.75 -1.26 -4.94 116.55 121.19 3kla n ASP 238 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 54.79 52.06 3kla n ASP 238 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3kla n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kla n GLY 239 N -0.30 0.72 3.82 6.12 0.00 -1.26 -5.07 105.19 109.23 3kla n GLY 239 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3kla n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kla s THR 240 N -2.69 2.24 0.35 2.61 -4.23 -1.26 -4.86 115.64 107.79 3kla s THR 240 Ca 0.00 -1.54 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 3kla s THR 240 Cb 0.00 -2.77 -0.07 0.00 1.34 0.00 0.00 72.50 71.00 3kla s THR 240 CO 0.00 0.00 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.71 3kla s PHE 241 N -2.61 2.25 0.05 3.99 0.40 0.09 0.02 117.98 122.16 3kla s PHE 241 Ca 0.41 -0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 3kla s PHE 241 Cb 0.00 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 3kla s PHE 241 CO 0.24 0.33 0.01 -0.65 0.70 0.00 0.00 175.22 175.84 3kla s GLN 242 N -3.74 0.58 -0.02 0.44 -0.21 0.10 -1.74 119.66 115.07 3kla s GLN 242 Ca 0.34 -1.03 -0.28 0.00 0.02 0.00 0.00 55.36 54.40 3kla s GLN 242 Cb 0.07 0.21 0.09 0.00 1.00 0.00 0.00 33.01 34.38 3kla s GLN 242 CO 0.16 -0.12 0.78 0.21 -2.12 0.00 0.00 175.29 174.19 3kla s LYS 243 N -3.33 0.96 0.07 2.91 2.20 -0.29 -1.47 119.74 120.79 3kla s LYS 243 Ca 0.01 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.53 3kla s LYS 243 Cb 0.03 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 3kla s LYS 243 CO -0.08 -0.36 0.05 1.67 -0.36 0.00 0.00 175.35 176.28 3kla s TRP 244 N -2.19 0.41 -0.01 4.03 1.48 -1.26 -0.90 118.94 120.50 3kla s TRP 244 Ca -0.03 -0.91 0.01 0.00 -1.06 0.00 0.00 56.10 54.11 3kla s TRP 244 Cb -0.01 -0.28 0.01 0.00 -1.16 0.00 0.00 33.47 32.03 3kla s TRP 244 CO -0.01 -0.45 -0.01 0.00 -4.06 0.00 0.00 176.95 172.42 3kla s ALA 245 N -3.91 0.22 0.09 2.67 0.00 -0.43 -2.64 121.76 117.76 3kla s ALA 245 Ca 0.07 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3kla s ALA 245 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3kla s ALA 245 CO -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 175.76 175.52 3kla s ALA 246 N 0.35 1.35 0.04 0.00 0.00 0.86 0.21 121.76 124.56 3kla s ALA 246 Ca -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.82 3kla s ALA 246 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3kla s ALA 246 CO -0.01 0.15 -0.09 0.14 0.00 0.00 0.00 175.76 175.95 3kla s VAL 247 N -1.62 0.70 -0.28 0.00 -7.23 -0.14 -0.55 120.40 111.28 3kla s VAL 247 Ca 0.03 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.11 3kla s VAL 247 Cb -0.08 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 3kla s VAL 247 CO 0.03 -0.22 0.21 -0.69 -0.31 0.00 0.00 175.10 174.11 3kla s VAL 248 N -1.09 5.30 -0.07 1.32 1.01 -1.26 -0.15 120.40 125.45 3kla s VAL 248 Ca -0.05 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.16 3kla s VAL 248 Cb -0.08 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3kla s VAL 248 CO 0.01 0.24 -0.11 0.68 0.00 0.00 0.00 175.10 175.92 3kla s VAL 249 N 1.79 3.33 0.16 2.92 -7.23 0.33 -4.94 120.40 116.75 3kla s VAL 249 Ca 0.08 -0.61 -0.03 0.00 -1.81 0.00 0.00 61.98 59.61 3kla s VAL 249 Cb -0.16 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.48 3kla s VAL 249 CO 0.11 0.59 0.14 -2.65 -0.31 0.00 0.00 175.10 172.97 3kla n PRO 250 N 2.42 -1.38 -1.98 4.82 -0.02 -1.26 -1.55 135.00 136.05 3kla n PRO 250 Ca -0.18 -0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 60.66 3kla n PRO 250 Cb 0.53 -0.21 -0.03 0.00 -0.02 0.00 0.00 33.50 33.77 3kla n PRO 250 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kla s SER 251 N -1.91 5.81 -1.63 2.55 0.01 -1.10 -2.78 113.70 114.65 3kla s SER 251 Ca 0.09 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.60 3kla s SER 251 Cb -0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3kla s SER 251 CO 0.07 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.55 3kla n GLY 252 N 5.46 0.68 1.46 3.44 0.00 -1.26 -4.87 105.19 110.10 3kla n GLY 252 Ca 0.23 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3kla n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kla n GLN 253 N -2.57 3.33 -0.28 1.61 6.02 -1.12 -4.62 117.38 119.75 3kla n GLN 253 Ca -0.19 -2.78 0.13 0.00 -0.01 0.00 0.00 57.00 54.15 3kla n GLN 253 Cb 0.61 -1.75 0.38 0.00 1.02 0.00 0.00 30.24 30.50 3kla n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3kla h GLU 254 N 4.06 0.66 0.00 -1.09 3.07 -1.90 -0.88 114.58 118.50 3kla h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3kla h GLU 254 Cb 1.26 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3kla h GLU 254 CO 0.14 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 178.18 3kla n GLN 255 N -4.57 0.17 0.20 2.33 0.00 -1.26 -2.38 117.38 111.87 3kla n GLN 255 Ca 0.18 0.38 0.13 0.00 0.00 0.00 0.00 57.00 57.70 3kla n GLN 255 Cb 0.50 -1.81 0.36 0.00 0.00 0.00 0.00 30.24 29.29 3kla n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kla h ARG 256 N 0.00 0.00 -5.71 2.61 3.08 -1.51 -3.46 114.38 109.38 3kla h ARG 256 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3kla h ARG 256 Cb 0.37 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.31 3kla h ARG 256 CO 0.00 0.00 -0.54 0.71 -1.07 0.00 0.00 179.97 179.07 3kla s TYR 257 N -3.30 3.40 -0.00 3.04 1.51 -1.00 -0.77 117.35 120.23 3kla s TYR 257 Ca 0.06 0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.51 3kla s TYR 257 Cb 0.08 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3kla s TYR 257 CO 0.60 0.57 -0.10 0.95 -1.11 0.00 0.00 175.55 176.47 3kla s THR 258 N -0.79 0.75 -0.17 -0.71 -4.23 -0.14 -4.46 115.64 105.88 3kla s THR 258 Ca 0.13 -0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 60.08 3kla s THR 258 Cb -0.12 -0.64 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 3kla s THR 258 CO 0.03 0.16 0.09 0.00 -0.54 0.00 0.00 174.62 174.35 3kla s HIS 260 N 0.13 2.76 -0.13 0.00 3.76 0.14 -0.23 115.29 121.73 3kla s HIS 260 Ca 0.06 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 3kla s HIS 260 Cb -0.12 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.81 3kla s HIS 260 CO -0.00 -0.14 -0.16 0.08 -0.85 0.00 0.00 174.74 173.67 3kla s VAL 261 N 0.10 1.65 -0.12 -0.90 1.01 -0.27 -1.42 120.40 120.45 3kla s VAL 261 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3kla s VAL 261 Cb -0.15 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3kla s VAL 261 CO 0.05 0.47 -0.21 -1.10 0.00 0.00 0.00 175.10 174.31 3kla s GLN 262 N 1.10 2.82 -0.15 2.72 -0.21 -0.24 -0.94 119.66 124.76 3kla s GLN 262 Ca -0.03 -0.79 -0.23 0.00 0.02 0.00 0.00 55.36 54.34 3kla s GLN 262 Cb -0.14 -2.26 0.06 0.00 1.00 0.00 0.00 33.01 31.67 3kla s GLN 262 CO -0.05 0.02 0.58 -1.58 -2.12 0.00 0.00 175.29 172.15 3kla s HIS 263 N 0.73 -0.60 0.53 0.91 2.46 -1.26 -1.51 115.29 116.55 3kla s HIS 263 Ca -0.10 1.31 0.34 0.00 0.47 0.00 0.00 55.06 57.07 3kla s HIS 263 Cb -0.16 0.26 1.50 0.00 -0.13 0.00 0.00 32.58 34.04 3kla s HIS 263 CO 0.01 -0.40 1.83 1.49 -2.47 0.00 0.00 174.74 175.20 3kla h GLU 264 N 4.47 0.03 -0.00 2.88 4.81 -1.94 -1.50 114.58 123.32 3kla h GLU 264 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3kla h GLU 264 Cb 1.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3kla h GLU 264 CO 0.23 0.02 -0.42 0.41 -0.73 0.00 0.00 179.01 178.52 3kla n GLY 265 N -1.73 -1.21 3.75 1.92 0.00 -1.26 -4.83 105.19 101.83 3kla n GLY 265 Ca 0.23 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3kla n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kla s LEU 266 N -2.94 4.40 0.25 0.99 1.43 -0.57 -4.51 118.68 117.73 3kla s LEU 266 Ca 0.13 1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 54.44 3kla s LEU 266 Cb 0.18 -3.05 0.28 0.00 0.03 0.00 0.00 46.19 43.62 3kla s LEU 266 CO 0.66 0.02 1.80 1.55 0.23 0.00 0.00 176.35 180.62 3kla h PRO 267 N 5.91 1.02 -4.06 1.29 0.13 -1.88 -3.44 132.00 130.97 3kla h PRO 267 Ca -0.44 -0.20 -0.21 0.00 -0.87 0.00 0.00 66.00 64.29 3kla h PRO 267 Cb 1.20 -0.16 -0.23 0.00 0.13 0.00 0.00 31.00 31.94 3kla h PRO 267 CO 0.71 0.86 -0.71 0.15 -0.23 0.00 0.00 178.00 178.78 3kla s LYS 268 N -5.38 0.30 0.52 0.86 1.02 -1.26 -5.13 119.74 110.66 3kla s LYS 268 Ca -0.11 -0.50 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 3kla s LYS 268 Cb 0.16 -0.01 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 3kla s LYS 268 CO 0.82 -0.01 1.25 -0.35 -0.92 0.00 0.00 175.35 176.14 3kla n PRO 269 N 1.92 1.61 -3.55 -1.68 -0.04 -1.26 -4.96 135.00 127.04 3kla n PRO 269 Ca -0.21 0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 63.49 3kla n PRO 269 Cb 0.56 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 3kla n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kla s LEU 270 N -2.57 4.35 -0.19 1.53 1.43 -0.11 -4.92 118.68 118.19 3kla s LEU 270 Ca 0.69 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 3kla s LEU 270 Cb -0.45 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 42.80 3kla s LEU 270 CO 0.52 0.17 -0.14 -0.89 0.23 0.00 0.00 176.35 176.24 3kla s THR 271 N -1.40 1.79 -0.01 5.49 2.01 -1.26 -1.11 115.64 121.15 3kla s THR 271 Ca 0.33 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.41 3kla s THR 271 Cb -0.14 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 3kla s THR 271 CO 0.18 0.30 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.45 3kla s LEU 272 N 1.36 2.42 -0.03 4.42 1.02 0.68 -4.94 118.68 123.61 3kla s LEU 272 Ca 0.01 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 3kla s LEU 272 Cb -0.15 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.62 3kla s LEU 272 CO -0.10 0.31 0.06 -0.60 0.02 0.00 0.00 176.35 176.04 3kla s ARG 273 N -0.89 0.04 -0.80 1.70 3.52 -1.26 -0.45 118.95 120.81 3kla s ARG 273 Ca 0.12 0.14 -0.25 0.00 -0.13 0.00 0.00 55.73 55.61 3kla s ARG 273 Cb -0.10 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 3kla s ARG 273 CO 0.01 -0.07 1.89 -0.46 -0.81 0.00 0.00 175.30 175.87 3kla s TRP 274 N 0.45 1.78 0.00 5.12 -0.11 -1.26 -5.08 118.94 119.84 3kla s TRP 274 Ca -0.04 0.64 0.00 0.00 1.22 0.00 0.00 56.10 57.92 3kla s TRP 274 Cb -0.05 -4.09 0.00 0.00 -1.50 0.00 0.00 33.47 27.83 3kla s TRP 274 CO -0.02 -1.96 0.00 0.39 -4.62 0.00 0.00 176.95 170.75