#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 5.64 0.13 1.61 0.01 -1.26 -3.68 113.70 116.15 3kla s SER 2 Ca 0.00 1.73 0.01 0.00 1.31 0.00 0.00 55.95 58.99 3kla s SER 2 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3kla s SER 2 CO 0.00 -1.27 0.01 -1.00 0.41 0.00 0.00 173.24 171.39 3kla s HIS 3 N -2.70 0.97 0.03 2.43 0.09 -0.65 -4.95 115.29 110.51 3kla s HIS 3 Ca 0.61 -1.08 -0.00 0.00 -0.00 0.00 0.00 55.06 54.59 3kla s HIS 3 Cb -0.15 -0.56 -0.03 0.00 -0.00 0.00 0.00 32.58 31.84 3kla s HIS 3 CO 0.44 -0.32 -0.03 -1.54 -0.00 0.00 0.00 174.74 173.28 3kla s SER 4 N -3.09 0.38 -0.06 1.40 1.04 -1.26 -0.73 113.70 111.39 3kla s SER 4 Ca 0.20 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 56.01 3kla s SER 4 Cb 0.07 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 3kla s SER 4 CO 0.00 -0.39 -0.21 -0.32 0.98 0.00 0.00 173.24 173.30 3kla s MET 5 N -2.31 2.29 -0.01 4.02 -2.45 -0.22 -0.53 119.30 120.09 3kla s MET 5 Ca -0.08 -0.76 -0.01 0.00 -1.25 0.00 0.00 55.69 53.60 3kla s MET 5 Cb -0.04 -1.91 0.01 0.00 1.25 0.00 0.00 34.83 34.14 3kla s MET 5 CO -0.04 0.27 0.04 1.03 1.05 0.00 0.00 175.02 177.37 3kla s ARG 6 N 0.06 0.03 -0.03 4.11 1.81 -0.65 -1.24 118.95 123.03 3kla s ARG 6 Ca -0.07 0.08 0.04 0.00 -1.72 0.00 0.00 55.73 54.05 3kla s ARG 6 Cb -0.14 -0.03 -0.03 0.00 -0.45 0.00 0.00 34.95 34.31 3kla s ARG 6 CO 0.04 -0.03 -0.13 0.71 -0.68 0.00 0.00 175.30 175.21 3kla s TYR 7 N 0.21 2.75 -0.10 -0.53 2.02 0.17 -0.68 117.35 121.19 3kla s TYR 7 Ca -0.02 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3kla s TYR 7 Cb -0.02 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3kla s TYR 7 CO -0.01 0.24 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.01 3kla s PHE 8 N -0.80 1.84 -0.07 2.71 0.08 -0.30 -2.01 117.98 119.42 3kla s PHE 8 Ca 0.13 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.39 3kla s PHE 8 Cb -0.11 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 3kla s PHE 8 CO 0.02 -0.43 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.47 3kla s PHE 9 N 0.93 2.00 -0.10 0.36 0.08 0.28 -0.99 117.98 120.54 3kla s PHE 9 Ca -0.08 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.25 3kla s PHE 9 Cb -0.15 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3kla s PHE 9 CO -0.00 -0.30 -0.15 0.99 -0.10 0.00 0.00 175.22 175.66 3kla s THR 10 N 0.35 1.44 -0.09 0.64 2.01 -0.23 -1.02 115.64 118.74 3kla s THR 10 Ca -0.13 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3kla s THR 10 Cb -0.16 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.05 3kla s THR 10 CO 0.05 0.43 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.68 3kla s SER 11 N 0.89 2.49 -0.17 3.53 0.15 -0.18 -0.93 113.70 119.48 3kla s SER 11 Ca -0.09 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3kla s SER 11 Cb -0.15 -1.14 0.04 0.00 -1.71 0.00 0.00 66.02 63.05 3kla s SER 11 CO 0.00 0.09 -0.10 -0.69 1.20 0.00 0.00 173.24 173.74 3kla s VAL 12 N 0.58 1.46 0.50 4.45 1.01 -0.03 -0.73 120.40 127.64 3kla s VAL 12 Ca -0.15 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 3kla s VAL 12 Cb -0.17 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 3kla s VAL 12 CO 0.05 0.26 1.18 -0.94 0.00 0.00 0.00 175.10 175.64 3kla s SER 13 N 1.50 5.91 -0.40 3.32 1.04 -0.45 -0.86 113.70 123.75 3kla s SER 13 Ca 0.01 2.33 0.09 0.00 0.48 0.00 0.00 55.95 58.86 3kla s SER 13 Cb -0.15 -2.60 0.28 0.00 0.10 0.00 0.00 66.02 63.65 3kla s SER 13 CO -0.09 -1.10 0.60 0.54 0.98 0.00 0.00 173.24 174.17 3kla n ARG 14 N -0.80 0.91 -1.71 4.02 1.74 -1.26 -4.05 116.66 115.51 3kla n ARG 14 Ca 0.09 -3.36 -0.42 0.00 -0.77 0.00 0.00 57.85 53.39 3kla n ARG 14 Cb 0.48 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.62 4.13 0.00 5.56 0.02 -1.26 -0.54 135.00 141.28 3kla s PRO 15 Ca 0.37 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3kla s PRO 15 Cb 0.22 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3kla s PRO 15 CO -0.10 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3kla n GLY 16 N 4.13 1.01 0.95 0.52 0.00 -1.26 -4.83 105.19 105.71 3kla n GLY 16 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 3kla n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kla n ARG 17 N -2.00 1.27 0.00 1.61 1.74 0.30 -5.12 116.66 114.46 3kla n ARG 17 Ca 0.00 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 3kla n ARG 17 Cb 0.00 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3kla n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kla n GLY 18 N -0.66 -1.80 3.78 -0.13 0.00 -1.18 -4.92 105.19 100.28 3kla n GLY 18 Ca 0.17 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 3.21 0.50 1.61 2.56 -1.26 -4.44 118.70 120.87 3kla s GLU 19 Ca 0.00 1.42 -0.23 0.00 0.00 0.00 0.00 54.97 56.16 3kla s GLU 19 Cb 0.00 -2.00 -0.07 0.00 2.00 0.00 0.00 34.13 34.06 3kla s GLU 19 CO 0.00 -0.93 1.27 -0.35 -0.56 0.00 0.00 175.26 174.69 3kla n PRO 20 N -1.80 1.71 -2.09 4.30 -0.04 -1.26 -4.67 135.00 131.15 3kla n PRO 20 Ca 0.10 0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 63.77 3kla n PRO 20 Cb 0.52 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 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 -2.56 4.31 -0.08 0.54 6.06 -0.04 -4.85 118.95 122.33 3kla s ARG 21 Ca 0.67 2.21 0.00 0.00 -2.50 0.00 0.00 55.73 56.11 3kla s ARG 21 Cb -0.46 -3.14 0.02 0.00 0.06 0.00 0.00 34.95 31.43 3kla s ARG 21 CO 0.53 -0.36 -0.07 0.12 -2.50 0.00 0.00 175.30 173.02 3kla s PHE 22 N 0.08 1.18 -0.07 5.12 5.36 -1.26 -0.86 117.98 127.54 3kla s PHE 22 Ca 0.59 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 3kla s PHE 22 Cb -0.40 -1.00 0.01 0.00 -0.34 0.00 0.00 43.02 41.29 3kla s PHE 22 CO 0.41 -0.36 -0.14 0.42 -1.46 0.00 0.00 175.22 174.09 3kla s ILE 23 N 1.36 1.24 -0.03 3.12 1.01 -0.10 -0.82 121.20 126.98 3kla s ILE 23 Ca -0.03 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3kla s ILE 23 Cb -0.14 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 3kla s ILE 23 CO -0.03 0.38 -0.22 0.00 0.00 0.00 0.00 174.94 175.07 3kla s ALA 24 N 0.63 1.82 0.03 9.38 0.00 -0.04 -1.06 121.76 132.53 3kla s ALA 24 Ca -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3kla s ALA 24 Cb -0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3kla s ALA 24 CO 0.04 0.41 -0.08 0.14 0.00 0.00 0.00 175.76 176.27 3kla s VAL 25 N -0.36 0.58 -0.01 0.00 -7.23 -0.16 -0.56 120.40 112.65 3kla s VAL 25 Ca 0.04 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.39 3kla s VAL 25 Cb -0.10 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 3kla s VAL 25 CO 0.00 -0.24 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.50 3kla s GLY 26 N -1.23 1.13 0.07 2.32 0.00 -0.65 -1.15 107.32 107.79 3kla s GLY 26 Ca -0.06 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.74 3kla s GLY 26 CO 0.00 -0.85 -0.22 -0.19 0.00 0.00 0.00 173.10 171.85 3kla s TYR 27 N -0.57 1.88 -0.22 1.90 1.51 0.15 -0.62 117.35 121.38 3kla s TYR 27 Ca 0.09 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 3kla s TYR 27 Cb -0.09 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 3kla s TYR 27 CO -0.00 0.14 -0.04 0.08 -1.11 0.00 0.00 175.55 174.61 3kla s VAL 28 N -0.92 3.38 0.00 0.71 1.01 -0.03 -1.64 120.40 122.92 3kla s VAL 28 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3kla s VAL 28 Cb -0.09 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3kla s VAL 28 CO 0.03 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.03 3kla n ASP 29 N 4.72 0.00 -1.84 3.32 8.00 0.31 -0.84 116.55 130.22 3kla n ASP 29 Ca -0.18 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 3kla n ASP 29 Cb 0.51 0.00 0.32 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 3.85 4.88 -4.20 -2.24 8.00 -1.26 -4.88 116.55 120.69 3kla n ASP 30 Ca 0.00 -2.99 -0.34 0.00 0.71 0.00 0.00 54.79 52.17 3kla n ASP 30 Cb 0.00 -0.70 -0.15 0.00 -0.02 0.00 0.00 41.12 40.25 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 -2.68 2.70 0.41 -3.53 2.01 -0.02 -5.01 115.64 109.53 3kla s THR 31 Ca 0.50 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 61.43 3kla s THR 31 Cb 0.39 -2.24 -0.08 0.00 0.01 0.00 0.00 72.50 70.57 3kla s THR 31 CO 0.13 0.40 1.12 -1.58 -0.69 0.00 0.00 174.62 174.01 3kla s GLN 32 N 1.36 4.04 0.00 4.92 0.74 -1.26 -0.85 119.66 128.61 3kla s GLN 32 Ca 0.04 1.70 0.00 0.00 0.05 0.00 0.00 55.36 57.15 3kla s GLN 32 Cb -0.14 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.39 3kla s GLN 32 CO -0.07 -0.29 0.00 1.97 -0.55 0.00 0.00 175.29 176.34 3kla n PHE 33 N -0.08 0.00 -4.00 1.67 -1.74 0.20 -4.17 117.46 109.34 3kla n PHE 33 Ca 0.05 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.86 3kla n PHE 33 Cb 0.48 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.39 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 -0.68 0.19 0.06 1.97 -7.23 -1.19 -0.35 120.40 113.17 3kla s VAL 34 Ca 0.00 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 3kla s VAL 34 Cb 0.00 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 3kla s VAL 34 CO 0.00 -0.85 0.17 0.00 -0.31 0.00 0.00 175.10 174.10 3kla s ARG 35 N -3.74 0.74 -0.01 4.82 1.70 -0.38 -1.64 118.95 120.44 3kla s ARG 35 Ca 0.05 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 3kla s ARG 35 Cb 0.06 0.30 0.02 0.00 -0.57 0.00 0.00 34.95 34.76 3kla s ARG 35 CO -0.10 -0.22 0.01 0.12 -1.08 0.00 0.00 175.30 174.04 3kla s PHE 36 N -3.26 0.07 -0.11 5.89 5.36 0.27 -0.83 117.98 125.37 3kla s PHE 36 Ca 0.00 0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 3kla s PHE 36 Cb 0.02 -0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.56 3kla s PHE 36 CO -0.08 -0.06 -0.04 0.34 -1.46 0.00 0.00 175.22 173.92 3kla s ASP 37 N 0.63 2.07 0.60 6.13 2.15 -1.26 -0.86 116.67 126.13 3kla s ASP 37 Ca -0.05 -0.28 0.30 0.00 0.43 0.00 0.00 52.55 52.95 3kla s ASP 37 Cb -0.08 -0.71 1.77 0.00 -0.30 0.00 0.00 42.92 43.61 3kla s ASP 37 CO -0.02 -0.16 2.17 0.77 -0.17 0.00 0.00 175.17 177.77 3kla h SER 38 N 8.22 0.00 0.38 -0.34 4.64 -1.37 -2.12 113.55 122.97 3kla h SER 38 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 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 0.36 0.00 -0.41 0.47 -0.87 0.00 0.00 176.83 176.38 3kla n ASP 39 N -3.74 0.72 -4.86 4.97 9.92 -1.26 -4.90 116.55 117.41 3kla n ASP 39 Ca -0.01 -0.52 -0.31 0.00 -0.53 0.00 0.00 54.79 53.42 3kla n ASP 39 Cb 0.22 0.22 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 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 -2.80 3.12 0.22 2.24 0.00 -0.80 -5.00 121.76 118.76 3kla s ALA 40 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3kla s ALA 40 Cb 0.18 -3.04 0.22 0.00 0.00 0.00 0.00 23.12 20.49 3kla s ALA 40 CO 0.63 -0.42 1.57 0.00 0.00 0.00 0.00 175.76 177.54 3kla h ALA 41 N 0.36 0.84 -0.44 0.00 0.00 -1.90 -3.32 119.26 114.80 3kla h ALA 41 Ca -0.46 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 53.91 3kla h ALA 41 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3kla h ALA 41 CO 0.62 0.66 -0.00 0.66 0.00 0.00 0.00 179.25 181.19 3kla h SER 42 N 0.36 0.69 -3.81 0.00 4.64 -1.94 -3.46 113.55 110.03 3kla h SER 42 Ca 0.02 -0.16 -0.39 0.00 -0.47 0.00 0.00 61.79 60.79 3kla h SER 42 Cb 0.99 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3kla h SER 42 CO 0.09 0.76 -0.54 0.00 -0.87 0.00 0.00 176.83 176.26 3kla n GLN 43 N -4.23 -3.10 -4.32 4.77 1.13 -1.25 -5.00 117.38 105.39 3kla n GLN 43 Ca 0.02 0.90 -0.21 0.00 -1.94 0.00 0.00 57.00 55.77 3kla n GLN 43 Cb 0.29 -5.64 -0.11 0.00 0.11 0.00 0.00 30.24 24.88 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 -5.36 1.24 0.19 -1.09 0.52 -1.26 -5.03 118.95 108.16 3kla s ARG 44 Ca 0.14 -1.38 -0.31 0.00 -0.52 0.00 0.00 55.73 53.66 3kla s ARG 44 Cb -0.06 -1.28 -0.09 0.00 0.52 0.00 0.00 34.95 34.04 3kla s ARG 44 CO 0.18 0.26 1.45 1.41 0.02 0.00 0.00 175.30 178.61 3kla s MET 45 N -2.76 4.28 0.04 3.54 -2.45 -1.26 -4.69 119.30 115.99 3kla s MET 45 Ca 0.15 2.24 0.08 0.00 -1.25 0.00 0.00 55.69 56.91 3kla s MET 45 Cb -0.06 -3.16 -0.03 0.00 1.25 0.00 0.00 34.83 32.84 3kla s MET 45 CO 0.06 -0.46 -0.23 -1.21 1.05 0.00 0.00 175.02 174.23 3kla s GLU 46 N 0.40 1.58 0.40 4.11 2.02 -0.01 -4.88 118.70 122.32 3kla s GLU 46 Ca 0.63 -1.02 -0.25 0.00 0.02 0.00 0.00 54.97 54.35 3kla s GLU 46 Cb -0.41 -1.73 -0.08 0.00 0.10 0.00 0.00 34.13 32.01 3kla s GLU 46 CO 0.36 0.44 1.19 -1.25 0.02 0.00 0.00 175.26 176.02 3kla s PRO 47 N -1.20 4.05 -0.00 0.39 0.04 -1.26 -1.25 135.00 135.76 3kla s PRO 47 Ca 0.09 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3kla s PRO 47 Cb -0.09 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3kla s PRO 47 CO 0.02 -0.33 0.75 0.54 0.04 0.00 0.00 177.00 178.02 3kla n ARG 48 N 0.10 1.39 -4.08 4.56 5.12 0.53 -4.83 116.66 119.45 3kla n ARG 48 Ca 0.04 -1.01 -0.14 0.00 -1.93 0.00 0.00 57.85 54.81 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 -0.51 0.35 0.32 7.54 0.00 -1.21 -4.62 121.76 123.63 3kla s ALA 49 Ca 0.01 -0.27 0.37 0.00 0.00 0.00 0.00 51.96 52.06 3kla s ALA 49 Cb 0.01 -0.05 1.76 0.00 0.00 0.00 0.00 23.12 24.83 3kla s ALA 49 CO 0.00 0.05 2.13 -1.35 0.00 0.00 0.00 175.76 176.59 3kla h PRO 50 N 5.76 0.00 -0.00 0.00 0.11 -1.94 -2.90 132.00 133.03 3kla h PRO 50 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 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 0.49 0.01 -0.10 -2.67 -0.21 0.00 0.00 178.00 175.51 3kla n TRP 51 N -3.12 0.00 0.54 0.65 4.27 -1.26 -2.93 117.44 115.60 3kla n TRP 51 Ca -0.01 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.69 3kla n TRP 51 Cb 0.22 -0.33 -0.12 0.00 -1.36 0.00 0.00 31.31 29.71 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 -1.31 0.00 -0.17 -1.67 0.13 -1.10 -4.57 119.36 110.67 3kla n ILE 52 Ca 0.10 -0.21 0.09 0.00 -1.10 0.00 0.00 62.75 61.64 3kla n ILE 52 Cb 0.30 0.64 0.39 0.00 -0.84 0.00 0.00 39.64 40.13 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 0.64 -0.00 9.51 5.08 -1.54 -1.62 114.58 126.64 3kla h GLU 53 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kla h GLU 53 Cb 0.61 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kla h GLU 53 CO 0.00 0.42 -0.03 1.04 -1.00 0.00 0.00 179.01 179.44 3kla n GLN 54 N -4.49 0.87 -1.77 2.33 6.02 -1.26 -4.83 117.38 114.24 3kla n GLN 54 Ca 0.11 -0.18 -0.37 0.00 -0.01 0.00 0.00 57.00 56.55 3kla n GLN 54 Cb 0.30 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.12 3kla n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kla s GLU 55 N -2.26 2.79 0.70 -1.09 0.41 -0.61 -4.96 118.70 113.68 3kla s GLU 55 Ca 0.37 2.12 -0.12 0.00 -0.41 0.00 0.00 54.97 56.93 3kla s GLU 55 Cb 0.21 -2.00 0.16 0.00 -1.78 0.00 0.00 34.13 30.72 3kla s GLU 55 CO 0.42 -1.43 0.90 0.41 -0.49 0.00 0.00 175.26 175.07 3kla n GLY 56 N 0.82 -1.54 0.30 -1.39 0.00 -1.26 -4.83 105.19 97.28 3kla n GLY 56 Ca 0.14 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.52 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 0.53 -0.43 1.61 0.13 -1.98 -2.48 132.00 129.38 3kla h PRO 57 Ca -0.30 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.86 3kla h PRO 57 Cb 0.83 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 3kla h PRO 57 CO 0.21 0.39 0.07 1.49 -0.23 0.00 0.00 178.00 179.92 3kla h GLU 58 N 0.54 0.19 0.41 0.86 4.57 -1.99 -0.35 114.58 118.81 3kla h GLU 58 Ca 0.14 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3kla h GLU 58 Cb 0.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3kla h GLU 58 CO -0.02 0.12 -0.36 -0.92 -1.18 0.00 0.00 179.01 176.65 3kla h TYR 59 N 0.19 -0.98 -0.59 0.92 5.03 -1.80 -1.18 116.97 118.56 3kla h TYR 59 Ca 0.21 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.43 3kla h TYR 59 Cb 0.28 0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 3kla h TYR 59 CO -0.23 -0.52 -0.01 -1.49 -1.32 0.00 0.00 178.16 174.59 3kla h TRP 60 N -0.78 1.14 -0.54 -3.82 4.06 -1.30 0.07 115.95 114.77 3kla h TRP 60 Ca -0.04 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 3kla h TRP 60 Cb 0.69 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3kla h TRP 60 CO -0.18 1.01 0.29 -0.44 -3.56 0.00 0.00 178.44 175.56 3kla h ASP 61 N 0.95 0.68 -0.27 -3.49 5.19 -1.04 -0.23 116.42 118.21 3kla h ASP 61 Ca 0.17 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 3kla h ASP 61 Cb 0.56 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3kla h ASP 61 CO 0.03 0.59 -0.10 1.23 -3.12 0.00 0.00 179.24 177.87 3kla h GLY 62 N 0.73 0.59 1.81 2.75 0.00 -0.84 -1.02 103.07 107.09 3kla h GLY 62 Ca 0.19 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3kla h GLY 62 CO -0.03 0.46 -0.36 0.83 0.00 0.00 0.00 176.54 177.45 3kla h GLU 63 N 0.28 0.22 -0.03 4.80 4.39 -0.90 -0.90 114.58 122.43 3kla h GLU 63 Ca 0.06 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kla h GLU 63 Cb 0.60 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3kla h GLU 63 CO 0.03 0.55 -0.00 1.15 -1.16 0.00 0.00 179.01 179.58 3kla h THR 64 N 0.19 1.28 -0.32 1.13 2.02 -0.88 -0.27 112.91 116.06 3kla h THR 64 Ca 0.02 -0.84 0.07 0.00 0.77 0.00 0.00 66.41 66.43 3kla h THR 64 Cb 0.73 1.79 -0.08 0.00 -1.74 0.00 0.00 68.15 68.84 3kla h THR 64 CO 0.05 0.23 -0.21 -0.09 0.37 0.00 0.00 175.52 175.87 3kla h ARG 65 N -0.28 -0.17 -0.46 6.66 2.43 -0.93 -1.64 114.38 120.00 3kla h ARG 65 Ca 0.01 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3kla h ARG 65 Cb 0.37 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3kla h ARG 65 CO 0.00 -0.11 -0.12 0.87 -1.51 0.00 0.00 179.97 179.10 3kla h LYS 66 N -0.18 0.84 -0.07 0.20 1.57 -1.11 -2.28 116.57 115.53 3kla h LYS 66 Ca 0.17 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 3kla h LYS 66 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3kla h LYS 66 CO -0.43 0.91 -0.71 -0.24 -0.57 0.00 0.00 179.45 178.41 3kla h VAL 67 N 0.75 1.39 -0.86 0.50 3.04 -0.71 -0.06 116.25 120.30 3kla h VAL 67 Ca 0.12 -2.13 -0.01 0.00 -1.01 0.00 0.00 66.70 63.66 3kla h VAL 67 Cb 0.62 2.11 -0.04 0.00 -2.01 0.00 0.00 31.29 31.96 3kla h VAL 67 CO 0.04 0.64 0.48 0.11 -1.01 0.00 0.00 177.57 177.83 3kla h LYS 68 N 0.25 1.19 -0.38 4.17 1.57 -1.24 -0.17 116.57 121.96 3kla h LYS 68 Ca -0.03 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3kla h LYS 68 Cb 1.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3kla h LYS 68 CO 0.12 0.86 -0.31 0.00 -0.57 0.00 0.00 179.45 179.55 3kla h ALA 69 N 1.33 0.73 -0.52 3.86 0.00 -0.77 -1.22 119.26 122.67 3kla h ALA 69 Ca 0.30 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kla h ALA 69 Cb 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3kla h ALA 69 CO -0.05 0.66 0.22 0.45 0.00 0.00 0.00 179.25 180.53 3kla h HIS 70 N 0.71 0.40 -0.62 0.00 3.86 -0.73 -1.65 115.15 117.12 3kla h HIS 70 Ca 0.08 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3kla h HIS 70 Cb 0.86 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 3kla h HIS 70 CO 0.05 0.16 0.36 1.03 0.86 0.00 0.00 177.93 180.39 3kla h SER 71 N 0.43 0.56 -0.36 2.45 0.87 -0.41 -1.57 113.55 115.52 3kla h SER 71 Ca 0.25 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 3kla h SER 71 Cb 0.23 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kla h SER 71 CO -0.22 0.38 -0.30 1.56 -0.53 0.00 0.00 176.83 177.73 3kla h GLN 72 N 0.69 0.89 -0.38 2.24 1.08 -0.89 -1.49 115.11 117.25 3kla h GLN 72 Ca 0.26 -0.41 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3kla h GLN 72 Cb 0.10 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 3kla h GLN 72 CO -0.14 1.06 0.20 1.15 -0.95 0.00 0.00 178.83 180.15 3kla h THR 73 N 0.75 1.00 -0.43 -0.54 2.02 -0.96 -2.26 112.91 112.49 3kla h THR 73 Ca 0.08 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3kla h THR 73 Cb 0.86 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3kla h THR 73 CO 0.08 0.07 0.06 0.45 0.37 0.00 0.00 175.52 176.55 3kla h HIS 74 N 0.40 0.67 -0.24 3.16 3.86 -1.00 0.24 115.15 122.25 3kla h HIS 74 Ca 0.16 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3kla h HIS 74 Cb 0.05 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3kla h HIS 74 CO -0.09 0.61 0.12 -0.09 0.86 0.00 0.00 177.93 179.33 3kla h ARG 75 N 0.63 0.35 -0.36 2.45 2.43 -0.93 -1.30 114.38 117.65 3kla h ARG 75 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3kla h ARG 75 Cb 0.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3kla h ARG 75 CO 0.00 0.35 0.23 0.28 -1.51 0.00 0.00 179.97 179.32 3kla h VAL 76 N 0.26 1.08 -0.90 0.20 2.07 -1.10 -3.05 116.25 114.82 3kla h VAL 76 Ca 0.08 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3kla h VAL 76 Cb 0.12 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3kla h VAL 76 CO -0.01 0.09 0.58 0.44 0.02 0.00 0.00 177.57 178.69 3kla h ASP 77 N 0.47 0.86 -0.73 0.57 3.32 -0.53 -1.48 116.42 118.89 3kla h ASP 77 Ca 0.13 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3kla h ASP 77 Cb -0.04 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 3kla h ASP 77 CO -0.04 0.53 0.48 -0.07 -1.72 0.00 0.00 179.24 178.42 3kla h LEU 78 N 0.96 0.82 -0.11 1.55 3.38 -1.13 0.05 115.31 120.83 3kla h LEU 78 Ca 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3kla h LEU 78 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kla h LEU 78 CO -0.16 0.59 0.07 1.23 0.09 0.00 0.00 178.44 180.26 3kla h GLY 79 N 0.97 0.15 0.66 0.83 0.00 -1.36 -1.94 103.07 102.39 3kla h GLY 79 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.58 3kla h GLY 79 CO -0.07 0.06 -0.08 -0.84 0.00 0.00 0.00 176.54 175.61 3kla h THR 80 N 0.14 0.77 -0.74 4.70 2.02 -0.78 -1.97 112.91 117.04 3kla h THR 80 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3kla h THR 80 Cb -0.01 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3kla h THR 80 CO -0.01 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 176.14 3kla h LEU 81 N -0.09 0.99 -0.75 2.58 3.38 -1.01 -0.89 115.31 119.51 3kla h LEU 81 Ca 0.07 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3kla h LEU 81 Cb 0.19 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3kla h LEU 81 CO -0.16 0.87 0.41 -0.09 0.09 0.00 0.00 178.44 179.56 3kla h ARG 82 N 1.04 0.68 -0.48 1.13 2.43 -1.05 -1.64 114.38 116.50 3kla h ARG 82 Ca 0.25 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3kla h ARG 82 Cb 0.16 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3kla h ARG 82 CO -0.03 0.45 0.09 0.78 -1.51 0.00 0.00 179.97 179.75 3kla h GLY 83 N 0.70 0.84 1.26 2.80 0.00 -0.82 -0.44 103.07 107.41 3kla h GLY 83 Ca 0.36 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3kla h GLY 83 CO -0.24 0.51 0.38 -0.97 0.00 0.00 0.00 176.54 176.21 3kla h TYR 84 N 0.65 0.95 -0.68 5.60 0.05 -0.64 -2.63 116.97 120.28 3kla h TYR 84 Ca 0.15 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3kla h TYR 84 Cb 0.36 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3kla h TYR 84 CO 0.02 0.66 0.00 0.66 -1.05 0.00 0.00 178.16 178.46 3kla n TYR 85 N -4.36 0.99 -4.01 4.88 4.01 -0.67 -4.96 117.16 113.04 3kla n TYR 85 Ca 0.07 -0.47 -0.28 0.00 -0.16 0.00 0.00 57.90 57.06 3kla n TYR 85 Cb 0.10 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3kla n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kla n ASN 86 N 1.44 -0.58 -4.91 7.72 5.03 -0.96 -4.96 115.26 118.03 3kla n ASN 86 Ca 0.23 -1.07 -0.31 0.00 0.87 0.00 0.00 54.58 54.29 3kla n ASN 86 Cb 0.62 -2.74 -0.04 0.00 -1.02 0.00 0.00 39.78 36.60 3kla n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kla s GLN 87 N -6.71 3.51 0.74 3.52 -0.21 -0.21 -5.04 119.66 115.25 3kla s GLN 87 Ca 0.06 -0.30 -0.11 0.00 0.02 0.00 0.00 55.36 55.03 3kla s GLN 87 Cb -0.02 -2.97 0.04 0.00 1.00 0.00 0.00 33.01 31.05 3kla s GLN 87 CO 0.91 0.56 1.08 -1.54 -2.12 0.00 0.00 175.29 174.18 3kla s SER 88 N -2.44 4.83 0.00 5.90 1.04 -1.26 -4.73 113.70 117.03 3kla s SER 88 Ca 0.37 1.76 0.31 0.00 0.48 0.00 0.00 55.95 58.87 3kla s SER 88 Cb -0.13 -2.51 1.74 0.00 0.10 0.00 0.00 66.02 65.22 3kla s SER 88 CO 0.26 -1.82 2.15 1.21 0.98 0.00 0.00 173.24 176.02 3kla n GLU 89 N -3.35 0.83 0.10 4.02 2.13 -1.26 -3.99 120.64 119.12 3kla n GLU 89 Ca 0.09 -0.04 -0.17 0.00 0.66 0.00 0.00 57.16 57.69 3kla n GLU 89 Cb 0.53 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.60 3kla n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kla h ALA 90 N 3.82 0.09 -2.26 4.31 0.00 -1.96 -3.44 119.26 119.82 3kla h ALA 90 Ca 0.00 -0.91 -0.48 0.00 0.00 0.00 0.00 54.91 53.51 3kla h ALA 90 Cb 0.12 0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kla h ALA 90 CO 0.00 0.96 0.28 0.20 0.00 0.00 0.00 179.25 180.69 3kla s GLY 91 N -4.69 1.96 0.07 0.00 0.00 -1.26 -4.63 107.32 98.77 3kla s GLY 91 Ca -0.05 -0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.41 3kla s GLY 91 CO 0.89 0.24 0.76 -0.45 0.00 0.00 0.00 173.10 174.53 3kla s SER 92 N -3.26 7.23 0.15 1.64 0.15 -1.26 -4.65 113.70 113.70 3kla s SER 92 Ca 0.55 1.47 0.03 0.00 0.70 0.00 0.00 55.95 58.70 3kla s SER 92 Cb -0.10 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3kla s SER 92 CO 0.34 0.06 -0.04 -1.00 1.20 0.00 0.00 173.24 173.80 3kla s HIS 93 N -0.28 1.16 -0.06 3.44 3.76 -1.26 -4.96 115.29 117.09 3kla s HIS 93 Ca 0.37 -0.92 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 3kla s HIS 93 Cb -0.21 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 32.84 3kla s HIS 93 CO 0.23 -0.11 -0.17 0.99 -0.85 0.00 0.00 174.74 174.84 3kla s THR 94 N -3.55 1.45 0.00 1.30 2.01 -1.26 -1.35 115.64 114.25 3kla s THR 94 Ca 0.19 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.54 3kla s THR 94 Cb 0.05 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3kla s THR 94 CO 0.01 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.54 3kla s VAL 95 N 0.32 3.18 -0.01 3.82 1.01 0.10 -0.14 120.40 128.67 3kla s VAL 95 Ca -0.11 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3kla s VAL 95 Cb -0.14 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 3kla s VAL 95 CO 0.04 0.43 -0.07 -1.10 0.00 0.00 0.00 175.10 174.40 3kla s GLN 96 N -1.23 0.65 0.01 2.72 -0.21 -0.52 -1.01 119.66 120.06 3kla s GLN 96 Ca 0.15 -0.24 0.03 0.00 0.02 0.00 0.00 55.36 55.32 3kla s GLN 96 Cb -0.11 -0.63 -0.01 0.00 1.00 0.00 0.00 33.01 33.26 3kla s GLN 96 CO 0.05 0.12 -0.10 0.50 -2.12 0.00 0.00 175.29 173.74 3kla s ARG 97 N 0.02 0.72 -0.01 2.91 3.52 -0.19 -0.61 118.95 125.31 3kla s ARG 97 Ca 0.00 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 3kla s ARG 97 Cb -0.05 -0.67 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 3kla s ARG 97 CO -0.00 0.17 -0.03 1.41 -0.81 0.00 0.00 175.30 176.05 3kla s MET 98 N -0.58 0.30 0.10 5.12 -2.45 -0.49 -0.55 119.30 120.74 3kla s MET 98 Ca 0.01 -0.08 -0.10 0.00 -1.25 0.00 0.00 55.69 54.27 3kla s MET 98 Cb -0.05 -0.33 0.01 0.00 1.25 0.00 0.00 34.83 35.71 3kla s MET 98 CO 0.00 0.03 0.23 1.52 1.05 0.00 0.00 175.02 177.85 3kla s TYR 99 N 0.16 0.08 -4.79 4.11 -0.85 -0.85 -0.32 117.35 114.89 3kla s TYR 99 Ca -0.01 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.05 3kla s TYR 99 Cb -0.04 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.30 3kla s TYR 99 CO -0.00 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 3kla n GLY 100 N -0.08 -1.17 3.07 5.49 0.00 -0.72 -0.65 105.19 111.13 3kla n GLY 100 Ca -0.15 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.24 3.98 0.24 0.00 1.01 0.06 -1.06 116.67 118.67 3kla s ASP 102 Ca -0.04 -0.26 0.12 0.00 0.71 0.00 0.00 52.55 53.09 3kla s ASP 102 Cb -0.00 -0.79 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 3kla s ASP 102 CO -0.06 0.32 -0.22 0.68 0.21 0.00 0.00 175.17 176.11 3kla s VAL 103 N -0.79 2.42 0.10 -1.27 -7.23 0.10 -0.57 120.40 113.16 3kla s VAL 103 Ca 0.13 -2.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 3kla s VAL 103 Cb -0.11 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.63 3kla s VAL 103 CO 0.02 -0.29 0.14 0.61 -0.31 0.00 0.00 175.10 175.27 3kla n GLY 104 N -0.26 -0.83 0.28 2.32 0.00 0.45 -1.64 105.19 105.51 3kla n GLY 104 Ca -0.08 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.17 0.00 -0.25 1.61 4.64 -1.89 0.14 113.55 117.63 3kla h SER 105 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3kla h SER 105 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3kla h SER 105 CO 0.03 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.16 3kla n ASP 106 N -3.57 1.80 -1.23 4.97 5.68 -1.26 -4.76 116.55 118.19 3kla n ASP 106 Ca -0.02 -1.82 -0.16 0.00 -0.50 0.00 0.00 54.79 52.29 3kla n ASP 106 Cb 0.19 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 39.94 3kla n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3kla n TRP 107 N 0.44 -0.02 -3.60 2.11 7.02 0.48 -5.00 117.44 118.87 3kla n TRP 107 Ca 0.15 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.31 3kla n TRP 107 Cb 0.33 -2.77 -0.05 0.00 -2.42 0.00 0.00 31.31 26.39 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 -3.38 3.67 0.22 -0.99 0.52 -1.26 -4.76 118.95 112.97 3kla s ARG 108 Ca 0.00 0.01 -0.31 0.00 -0.52 0.00 0.00 55.73 54.92 3kla s ARG 108 Cb 0.00 -2.80 -0.15 0.00 0.52 0.00 0.00 34.95 32.52 3kla s ARG 108 CO 0.00 0.43 1.14 0.34 0.02 0.00 0.00 175.30 177.23 3kla n PHE 109 N 0.07 1.41 0.00 -0.53 7.35 -1.26 -0.41 117.46 124.08 3kla n PHE 109 Ca -0.02 0.65 -0.02 0.00 -0.76 0.00 0.00 57.45 57.31 3kla n PHE 109 Cb 0.52 -2.29 -0.01 0.00 0.35 0.00 0.00 39.48 38.05 3kla n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3kla n LEU 110 N 1.75 0.47 -3.57 -2.13 7.94 0.27 -4.69 117.00 117.04 3kla n LEU 110 Ca 0.13 0.07 -0.16 0.00 -1.11 0.00 0.00 56.01 54.94 3kla n LEU 110 Cb 0.28 -0.16 -0.06 0.00 0.53 0.00 0.00 43.42 44.01 3kla n LEU 110 CO 0.61 -0.19 0.32 -0.60 -1.11 0.00 0.00 177.39 176.41 3kla s ARG 111 N -2.05 1.01 0.22 1.96 3.52 -1.10 -4.99 118.95 117.52 3kla s ARG 111 Ca -0.03 -0.02 0.10 0.00 -0.13 0.00 0.00 55.73 55.66 3kla s ARG 111 Cb 0.01 0.47 -0.05 0.00 -1.56 0.00 0.00 34.95 33.82 3kla s ARG 111 CO 0.04 -0.34 -0.20 0.20 -0.81 0.00 0.00 175.30 174.19 3kla s GLY 112 N -1.57 1.67 0.01 8.12 0.00 -1.26 -0.76 107.32 113.53 3kla s GLY 112 Ca -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 3kla s GLY 112 CO 0.04 -1.78 0.04 -0.19 0.00 0.00 0.00 173.10 171.21 3kla s TYR 113 N -2.29 0.14 -0.26 1.90 1.51 -0.26 -4.86 117.35 113.24 3kla s TYR 113 Ca 0.24 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 3kla s TYR 113 Cb -0.05 -0.11 0.15 0.00 -0.11 0.00 0.00 41.96 41.83 3kla s TYR 113 CO 0.11 -0.20 0.42 -1.58 -1.11 0.00 0.00 175.55 173.18 3kla s HIS 114 N -1.23 -0.98 0.08 2.71 2.46 -1.26 -1.75 115.29 115.33 3kla s HIS 114 Ca -0.13 0.88 0.08 0.00 0.47 0.00 0.00 55.06 56.36 3kla s HIS 114 Cb -0.08 0.07 -0.03 0.00 -0.13 0.00 0.00 32.58 32.41 3kla s HIS 114 CO 0.00 -0.79 -0.21 -0.65 -2.47 0.00 0.00 174.74 170.62 3kla s GLN 115 N 2.59 1.25 -0.02 2.88 -0.21 0.56 -0.93 119.66 125.78 3kla s GLN 115 Ca 0.13 -1.10 0.02 0.00 0.02 0.00 0.00 55.36 54.44 3kla s GLN 115 Cb -0.15 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.39 3kla s GLN 115 CO -0.19 0.36 -0.06 -0.47 -2.12 0.00 0.00 175.29 172.81 3kla s TYR 116 N -1.02 0.65 0.06 0.91 5.04 -0.22 -1.39 117.35 121.37 3kla s TYR 116 Ca 0.07 -0.14 0.05 0.00 -2.44 0.00 0.00 57.07 54.62 3kla s TYR 116 Cb -0.10 -0.47 -0.03 0.00 0.35 0.00 0.00 41.96 41.72 3kla s TYR 116 CO 0.03 -0.06 -0.15 0.00 -1.34 0.00 0.00 175.55 174.03 3kla s ALA 117 N 0.17 1.28 -0.11 3.97 0.00 0.22 -0.60 121.76 126.69 3kla s ALA 117 Ca -0.02 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.01 3kla s ALA 117 Cb -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3kla s ALA 117 CO -0.00 0.23 -0.19 -0.47 0.00 0.00 0.00 175.76 175.33 3kla s TYR 118 N -1.04 2.22 -1.59 0.00 5.04 -0.41 -1.44 117.35 120.13 3kla s TYR 118 Ca 0.01 -1.00 -0.11 0.00 -2.44 0.00 0.00 57.07 53.53 3kla s TYR 118 Cb -0.09 -1.54 0.10 0.00 0.35 0.00 0.00 41.96 40.77 3kla s TYR 118 CO 0.02 -0.46 0.66 -0.25 -1.34 0.00 0.00 175.55 174.18 3kla n ASP 119 N 3.91 -2.31 0.00 4.32 8.00 0.80 -2.30 116.55 128.97 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 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.69 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 -1.65 0.62 3.27 0.44 0.00 -1.26 -5.02 105.19 101.59 3kla n GLY 120 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3kla n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kla s LYS 121 N -0.01 1.18 0.33 1.61 1.02 -0.97 -5.10 119.74 117.79 3kla s LYS 121 Ca 0.00 -1.09 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 3kla s LYS 121 Cb 0.00 -1.40 -0.13 0.00 -0.52 0.00 0.00 37.83 35.78 3kla s LYS 121 CO 0.00 0.33 1.01 -0.25 -0.92 0.00 0.00 175.35 175.52 3kla n ASP 122 N 1.30 1.31 0.02 2.83 8.00 -1.26 -1.29 116.55 127.46 3kla n ASP 122 Ca -0.19 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.44 3kla n ASP 122 Cb 0.53 -1.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 0.02 0.00 -3.75 1.24 9.36 0.23 -4.69 117.16 119.57 3kla n TYR 123 Ca 0.09 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 3kla n TYR 123 Cb 0.34 -0.06 -0.08 0.00 -0.63 0.00 0.00 39.34 38.91 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 -1.86 0.07 -0.04 2.97 2.07 -1.07 -1.40 121.20 121.94 3kla s ILE 124 Ca -0.03 -0.54 -0.13 0.00 -1.41 0.00 0.00 60.65 58.54 3kla s ILE 124 Cb 0.00 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.86 3kla s ILE 124 CO 0.05 -0.30 0.29 0.00 -1.91 0.00 0.00 174.94 173.07 3kla s ALA 125 N -1.83 -0.72 0.07 1.50 0.00 -0.42 -1.06 121.76 119.29 3kla s ALA 125 Ca -0.10 0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 3kla s ALA 125 Cb -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 3kla s ALA 125 CO 0.01 -0.23 1.25 -1.17 0.00 0.00 0.00 175.76 175.63 3kla s LEU 126 N -0.98 4.37 0.92 0.00 2.96 -0.11 -0.43 118.68 125.41 3kla s LEU 126 Ca -0.10 2.09 -0.12 0.00 -0.22 0.00 0.00 54.13 55.78 3kla s LEU 126 Cb -0.05 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.21 3kla s LEU 126 CO 0.03 -0.52 1.10 -0.54 -1.32 0.00 0.00 176.35 175.09 3kla s LYS 127 N 1.12 1.05 0.42 1.98 1.02 -0.21 -4.58 119.74 120.54 3kla s LYS 127 Ca 0.60 0.68 0.10 0.00 0.02 0.00 0.00 55.97 57.37 3kla s LYS 127 Cb -0.31 -1.80 0.92 0.00 -0.52 0.00 0.00 37.83 36.12 3kla s LYS 127 CO 0.29 -2.34 2.03 1.49 -0.92 0.00 0.00 175.35 175.90 3kla h GLU 128 N -1.62 0.49 0.00 1.68 4.81 -1.89 -0.82 114.58 117.23 3kla h GLU 128 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3kla h GLU 128 Cb 1.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3kla h GLU 128 CO 0.56 0.32 0.00 -0.40 -0.73 0.00 0.00 179.01 178.77 3kla n ASP 129 N -4.48 0.00 -1.90 1.04 5.68 -1.26 -4.75 116.55 110.89 3kla n ASP 129 Ca 0.06 0.41 -0.19 0.00 -0.50 0.00 0.00 54.79 54.56 3kla n ASP 129 Cb 0.18 -0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.45 -1.68 0.00 -2.12 4.77 -0.32 -4.81 117.00 111.40 3kla n LEU 130 Ca 0.04 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3kla n LEU 130 Cb 0.13 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 3kla n LEU 130 CO 0.11 -0.56 0.04 0.54 -1.33 0.00 0.00 177.39 176.18 3kla n ARG 131 N -2.68 2.27 -4.03 3.23 1.74 -1.26 -4.52 116.66 111.41 3kla n ARG 131 Ca -0.22 -0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 56.68 3kla n ARG 131 Cb 0.66 -0.41 -0.06 0.00 -1.02 0.00 0.00 32.46 31.63 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 -0.35 0.05 0.07 0.55 1.04 -1.26 -4.95 113.70 108.85 3kla s SER 132 Ca 0.00 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.44 3kla s SER 132 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 3kla s SER 132 CO 0.00 -1.14 -0.16 0.26 0.98 0.00 0.00 173.24 173.19 3kla s TRP 133 N -3.89 1.35 -0.32 5.02 0.52 -1.26 -1.05 118.94 119.31 3kla s TRP 133 Ca 0.25 -0.43 -0.06 0.00 0.02 0.00 0.00 56.10 55.88 3kla s TRP 133 Cb 0.00 -0.76 0.03 0.00 -1.15 0.00 0.00 33.47 31.59 3kla s TRP 133 CO 0.11 0.08 0.08 0.99 0.02 0.00 0.00 176.95 178.23 3kla s THR 134 N -1.17 3.72 -0.24 2.01 2.01 0.43 -4.86 115.64 117.53 3kla s THR 134 Ca 0.00 -1.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 3kla s THR 134 Cb -0.10 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3kla s THR 134 CO 0.02 -0.06 0.30 0.00 -0.69 0.00 0.00 174.62 174.20 3kla s ALA 135 N 1.42 3.57 -0.31 7.40 0.00 -1.26 -1.31 121.76 131.27 3kla s ALA 135 Ca -0.00 -0.78 0.25 0.00 0.00 0.00 0.00 51.96 51.43 3kla s ALA 135 Cb -0.19 -2.56 0.53 0.00 0.00 0.00 0.00 23.12 20.91 3kla s ALA 135 CO 0.02 -0.42 1.68 0.00 0.00 0.00 0.00 175.76 177.04 3kla h ALA 136 N 7.78 0.98 -3.30 0.00 0.00 -1.51 -3.46 119.26 119.75 3kla h ALA 136 Ca -0.35 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 3kla h ALA 136 Cb 1.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3kla h ALA 136 CO 0.66 0.04 0.04 -0.40 0.00 0.00 0.00 179.25 179.58 3kla n ASP 137 N -3.11 -1.42 -0.09 0.00 5.68 -1.26 -5.04 116.55 111.30 3kla n ASP 137 Ca 0.03 -2.40 -0.09 0.00 -0.50 0.00 0.00 54.79 51.83 3kla n ASP 137 Cb 0.50 2.49 -0.02 0.00 -1.14 0.00 0.00 41.12 42.95 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 0.42 -0.49 0.11 1.85 -1.98 -2.40 114.93 112.44 3kla h MET 138 Ca -0.24 -0.04 0.10 0.00 -0.61 0.00 0.00 59.70 58.91 3kla h MET 138 Cb 0.96 -0.09 -0.09 0.00 0.43 0.00 0.00 31.60 32.81 3kla h MET 138 CO 0.31 0.31 -0.06 0.00 -0.40 0.00 0.00 176.91 177.08 3kla h ALA 139 N 1.08 0.40 0.00 0.39 0.00 -1.98 -1.69 119.26 117.47 3kla h ALA 139 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kla h ALA 139 Cb -0.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kla h ALA 139 CO -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.81 3kla h ALA 140 N 1.47 1.00 0.00 0.00 0.00 -1.76 -2.15 119.26 117.82 3kla h ALA 140 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3kla h ALA 140 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kla h ALA 140 CO -0.46 0.00 -0.14 1.96 0.00 0.00 0.00 179.25 180.61 3kla h GLN 141 N 0.00 0.00 -0.16 0.00 4.20 -0.81 -0.06 115.11 118.28 3kla h GLN 141 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3kla h GLN 141 Cb 0.36 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.15 3kla h GLN 141 CO 0.00 0.14 -0.77 1.15 -0.67 0.00 0.00 178.83 178.68 3kla h THR 142 N 0.00 1.27 -0.52 -0.54 2.02 -1.45 -1.11 112.91 112.59 3kla h THR 142 Ca -0.00 -1.96 -0.06 0.00 0.77 0.00 0.00 66.41 65.16 3kla h THR 142 Cb 0.34 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3kla h THR 142 CO 0.02 0.62 0.09 0.74 0.37 0.00 0.00 175.52 177.36 3kla h THR 143 N 0.55 1.25 -0.25 3.16 2.02 -1.56 -2.09 112.91 115.99 3kla h THR 143 Ca -0.05 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.26 3kla h THR 143 Cb 1.40 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 3kla h THR 143 CO 0.16 0.33 -0.19 0.50 0.37 0.00 0.00 175.52 176.70 3kla h LYS 144 N 0.73 -0.17 -0.69 6.66 3.64 -0.85 0.94 116.57 126.83 3kla h LYS 144 Ca 0.16 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3kla h LYS 144 Cb 0.39 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3kla h LYS 144 CO 0.01 -0.11 0.44 0.45 -2.27 0.00 0.00 179.45 177.96 3kla h HIS 145 N -0.18 0.89 -0.14 1.91 3.86 -1.10 -0.25 115.15 120.15 3kla h HIS 145 Ca 0.14 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3kla h HIS 145 Cb 0.39 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3kla h HIS 145 CO -0.36 0.59 0.06 -0.22 0.86 0.00 0.00 177.93 178.86 3kla h LYS 146 N 0.94 0.21 -0.07 2.45 3.64 -0.84 -0.86 116.57 122.05 3kla h LYS 146 Ca 0.25 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3kla h LYS 146 Cb -0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3kla h LYS 146 CO -0.05 0.30 -0.42 -1.49 -2.27 0.00 0.00 179.45 175.51 3kla h TRP 147 N 0.08 0.18 -0.17 1.91 6.55 -0.75 -0.95 115.95 122.81 3kla h TRP 147 Ca 0.05 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 3kla h TRP 147 Cb 0.16 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 3kla h TRP 147 CO -0.02 0.55 0.10 0.93 -1.05 0.00 0.00 178.44 178.95 3kla h GLU 148 N 0.13 0.23 0.00 0.49 5.08 -0.91 -1.11 114.58 118.48 3kla h GLU 148 Ca 0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3kla h GLU 148 Cb 0.80 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3kla h GLU 148 CO 0.06 0.21 -0.21 0.00 -1.00 0.00 0.00 179.01 178.07 3kla h ALA 149 N 1.01 1.14 -0.36 3.43 0.00 -0.74 -2.27 119.26 121.47 3kla h ALA 149 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kla h ALA 149 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kla h ALA 149 CO -0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3kla n ALA 150 N -2.27 2.44 -3.98 0.00 0.00 -0.40 -4.97 120.51 111.34 3kla n ALA 150 Ca -0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 53.44 52.22 3kla n ALA 150 Cb 0.36 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.30 -1.98 -0.24 0.00 -0.00 -0.80 -4.89 115.22 108.61 3kla n HIS 151 Ca 0.19 0.84 -0.08 0.00 -0.00 0.00 0.00 57.72 58.67 3kla n HIS 151 Cb 0.56 -3.72 0.04 0.00 -0.00 0.00 0.00 29.99 26.87 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 -1.86 1.26 -0.94 1.59 2.07 -1.49 -2.90 116.25 113.98 3kla h VAL 152 Ca -0.60 -1.03 0.14 0.00 0.82 0.00 0.00 66.70 66.03 3kla h VAL 152 Cb 1.38 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 3kla h VAL 152 CO 0.68 0.39 0.60 0.00 0.02 0.00 0.00 177.57 179.26 3kla h ALA 153 N 1.05 1.70 -0.62 1.67 0.00 -1.89 -1.92 119.26 119.25 3kla h ALA 153 Ca 0.21 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3kla h ALA 153 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kla h ALA 153 CO 0.01 0.05 0.05 0.93 0.00 0.00 0.00 179.25 180.29 3kla h GLU 154 N 0.82 1.06 -0.09 0.00 3.07 -1.76 0.35 114.58 118.03 3kla h GLU 154 Ca 0.48 -0.31 0.03 0.00 -0.50 0.00 0.00 59.36 59.05 3kla h GLU 154 Cb 0.64 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 3kla h GLU 154 CO -0.24 1.02 -0.13 1.96 -1.40 0.00 0.00 179.01 180.22 3kla h GLN 155 N 0.97 -0.16 -0.41 2.33 4.20 -1.40 -2.44 115.11 118.20 3kla h GLN 155 Ca 0.18 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3kla h GLN 155 Cb 0.50 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3kla h GLN 155 CO 0.02 -0.11 0.00 -0.07 -0.67 0.00 0.00 178.83 178.01 3kla h LEU 156 N -0.17 0.70 -0.23 1.46 3.38 -1.09 -2.98 115.31 116.38 3kla h LEU 156 Ca 0.08 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3kla h LEU 156 Cb 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3kla h LEU 156 CO -0.19 0.84 -0.09 -0.09 0.09 0.00 0.00 178.44 178.99 3kla h ARG 157 N 0.55 -0.05 -0.64 1.13 2.43 -0.23 0.76 114.38 118.33 3kla h ARG 157 Ca 0.12 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.40 3kla h ARG 157 Cb 0.48 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.95 3kla h ARG 157 CO 0.02 -0.04 0.21 0.00 -1.51 0.00 0.00 179.97 178.65 3kla h ALA 158 N 1.15 0.83 0.02 2.80 0.00 -1.40 -0.89 119.26 121.77 3kla h ALA 158 Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kla h ALA 158 Cb 0.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kla h ALA 158 CO -0.27 -0.24 -0.01 -0.92 0.00 0.00 0.00 179.25 177.81 3kla h TYR 159 N 0.36 -0.02 -0.84 0.00 3.20 -1.28 -2.21 116.97 116.19 3kla h TYR 159 Ca 0.34 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 3kla h TYR 159 Cb 0.47 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3kla h TYR 159 CO -0.20 0.33 0.39 -0.07 -1.64 0.00 0.00 178.16 176.98 3kla h LEU 160 N -0.38 1.12 0.00 2.82 3.38 -0.49 0.16 115.31 121.92 3kla h LEU 160 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kla h LEU 160 Cb 0.36 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kla h LEU 160 CO 0.00 0.95 -0.34 -0.33 0.09 0.00 0.00 178.44 178.82 3kla h GLU 161 N 1.21 0.00 0.00 1.13 5.08 -1.26 -3.37 114.58 117.36 3kla h GLU 161 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3kla h GLU 161 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kla h GLU 161 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 3kla n GLY 162 N 1.24 0.66 0.36 -3.84 0.00 -0.83 -4.72 105.19 98.05 3kla n GLY 162 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3kla n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kla h THR 163 N 0.00 0.07 -0.54 2.61 2.02 -1.55 -1.33 112.91 114.19 3kla h THR 163 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3kla h THR 163 Cb 0.00 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 3kla h THR 163 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 3kla h VAL 165 N 0.53 1.39 -0.25 0.00 -1.51 -1.49 -0.44 116.25 114.47 3kla h VAL 165 Ca 0.24 -2.11 -0.03 0.00 -1.23 0.00 0.00 66.70 63.57 3kla h VAL 165 Cb 0.15 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3kla h VAL 165 CO -0.17 0.63 0.03 -0.33 -1.23 0.00 0.00 177.57 176.50 3kla h GLU 166 N 0.23 0.42 -0.47 5.19 5.08 -0.83 -0.88 114.58 123.33 3kla h GLU 166 Ca -0.02 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3kla h GLU 166 Cb 1.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3kla h GLU 166 CO 0.11 0.56 0.14 -1.49 -1.00 0.00 0.00 179.01 177.34 3kla h TRP 167 N 0.22 0.76 -0.55 4.33 4.06 -1.00 -1.99 115.95 121.78 3kla h TRP 167 Ca 0.08 -0.08 0.06 0.00 2.06 0.00 0.00 58.89 61.01 3kla h TRP 167 Cb 0.35 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.24 3kla h TRP 167 CO 0.02 0.67 0.25 1.25 -3.56 0.00 0.00 178.44 177.08 3kla h LEU 168 N 0.62 0.32 -0.55 -4.49 5.85 -0.95 -0.44 115.31 115.67 3kla h LEU 168 Ca 0.15 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3kla h LEU 168 Cb 0.27 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3kla h LEU 168 CO -0.00 0.21 0.31 0.03 -0.34 0.00 0.00 178.44 178.65 3kla h ARG 169 N 0.47 0.58 -0.79 1.25 3.08 -1.06 -0.93 114.38 116.99 3kla h ARG 169 Ca 0.26 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3kla h ARG 169 Cb 0.22 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3kla h ARG 169 CO -0.21 0.38 0.48 -0.09 -1.07 0.00 0.00 179.97 179.47 3kla h ARG 170 N 0.60 1.06 -0.52 0.04 2.43 -0.50 -1.69 114.38 115.79 3kla h ARG 170 Ca 0.24 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3kla h ARG 170 Cb 0.10 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3kla h ARG 170 CO -0.14 0.74 -0.08 1.88 -1.51 0.00 0.00 179.97 180.87 3kla h TYR 171 N 1.08 1.04 -0.51 2.20 0.05 -0.73 -1.98 116.97 118.13 3kla h TYR 171 Ca 0.28 -0.20 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 3kla h TYR 171 Cb -0.06 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 3kla h TYR 171 CO -0.01 0.97 0.01 -0.07 -1.05 0.00 0.00 178.16 178.01 3kla h LEU 172 N 0.85 0.81 -0.16 3.88 3.38 -0.81 0.14 115.31 123.40 3kla h LEU 172 Ca 0.14 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3kla h LEU 172 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kla h LEU 172 CO 0.04 0.87 -0.18 1.05 0.09 0.00 0.00 178.44 180.31 3kla h GLU 173 N 0.78 0.40 0.00 1.13 4.11 -1.08 -2.30 114.58 117.62 3kla h GLU 173 Ca 0.15 -0.22 -0.22 0.00 0.07 0.00 0.00 59.36 59.14 3kla h GLU 173 Cb 0.46 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kla h GLU 173 CO 0.02 0.79 -0.94 -0.91 0.07 0.00 0.00 179.01 178.04 3kla h ASN 174 N 0.03 0.52 -0.48 3.06 -0.26 -1.22 -2.90 115.58 114.32 3kla h ASN 174 Ca 0.02 -0.41 -0.13 0.00 -0.56 0.00 0.00 56.30 55.22 3kla h ASN 174 Cb 0.73 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 37.75 3kla h ASN 174 CO 0.04 1.22 0.16 0.61 -1.06 0.00 0.00 177.43 178.40 3kla n GLY 175 N 0.95 2.91 0.34 2.83 0.00 0.47 -4.73 105.19 107.95 3kla n GLY 175 Ca -0.07 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 1.89 -0.03 -0.76 1.61 3.64 -1.19 0.54 116.57 122.27 3kla h LYS 176 Ca 0.16 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3kla h LYS 176 Cb 1.76 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.54 3kla h LYS 176 CO 0.47 -0.02 0.50 1.49 -2.27 0.00 0.00 179.45 179.62 3kla h GLU 177 N -0.03 0.81 0.00 1.90 4.81 -1.87 -1.58 114.58 118.61 3kla h GLU 177 Ca 0.36 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.34 3kla h GLU 177 Cb 0.61 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3kla h GLU 177 CO -0.87 0.53 -1.12 1.15 -0.73 0.00 0.00 179.01 177.97 3kla h THR 178 N 0.83 0.88 0.08 0.32 2.02 -1.45 -3.40 112.91 112.20 3kla h THR 178 Ca 0.32 -2.08 -0.25 0.00 0.77 0.00 0.00 66.41 65.17 3kla h THR 178 Cb 0.21 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 3kla h THR 178 CO -0.11 0.30 -1.14 -0.07 0.37 0.00 0.00 175.52 174.87 3kla h LEU 179 N -1.00 0.35 -2.19 2.58 3.38 -0.01 -3.27 115.31 115.15 3kla h LEU 179 Ca -0.30 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3kla h LEU 179 Cb 1.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3kla h LEU 179 CO -0.18 1.25 0.00 0.00 0.09 0.00 0.00 178.44 179.60 3kla n GLN 180 N -3.54 2.77 -3.41 1.13 6.02 -0.60 -4.89 117.38 114.85 3kla n GLN 180 Ca -0.07 -1.91 -0.29 0.00 -0.01 0.00 0.00 57.00 54.73 3kla n GLN 180 Cb 0.97 -1.65 -0.04 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.70 3.65 -0.05 -1.09 1.70 -1.24 -5.04 118.95 115.18 3kla s ARG 181 Ca 0.34 0.01 0.06 0.00 -0.47 0.00 0.00 55.73 55.68 3kla s ARG 181 Cb 0.22 -2.68 -0.01 0.00 -0.57 0.00 0.00 34.95 31.91 3kla s ARG 181 CO 0.17 0.27 -0.24 0.95 -1.08 0.00 0.00 175.30 175.38 3kla s THR 182 N -1.98 1.94 -0.35 4.99 -4.23 -1.26 -4.67 115.64 110.07 3kla s THR 182 Ca 0.44 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 3kla s THR 182 Cb -0.11 -1.64 0.05 0.00 1.34 0.00 0.00 72.50 72.14 3kla s THR 182 CO 0.28 0.54 0.13 -1.81 -0.54 0.00 0.00 174.62 173.22 3kla s ASP 183 N -0.14 5.36 0.54 3.99 1.01 -0.37 -4.96 116.67 122.10 3kla s ASP 183 Ca -0.03 -1.24 -0.21 0.00 0.71 0.00 0.00 52.55 51.77 3kla s ASP 183 Cb -0.13 -1.88 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 3kla s ASP 183 CO 0.03 -0.37 1.26 0.00 0.21 0.00 0.00 175.17 176.30 3kla s ALA 184 N 1.39 2.77 0.31 5.23 0.00 -1.26 -1.28 121.76 128.93 3kla s ALA 184 Ca -0.00 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3kla s ALA 184 Cb -0.20 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 3kla s ALA 184 CO 0.02 -1.12 1.46 -1.25 0.00 0.00 0.00 175.76 174.87 3kla s PRO 185 N -2.98 4.21 -0.10 0.00 0.04 -1.26 -4.55 135.00 130.35 3kla s PRO 185 Ca 0.71 2.42 -0.22 0.00 0.04 0.00 0.00 61.00 63.96 3kla s PRO 185 Cb -0.34 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 3kla s PRO 185 CO 0.40 -0.45 0.64 0.15 0.04 0.00 0.00 177.00 177.77 3kla s LYS 186 N -1.21 4.38 0.13 4.56 1.02 0.14 -4.85 119.74 123.90 3kla s LYS 186 Ca 0.56 0.74 0.11 0.00 0.02 0.00 0.00 55.97 57.40 3kla s LYS 186 Cb -0.44 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 3kla s LYS 186 CO 0.52 0.05 -0.25 0.95 -0.92 0.00 0.00 175.35 175.70 3kla s THR 187 N 0.90 2.38 0.24 2.17 -4.23 -1.26 -0.61 115.64 115.23 3kla s THR 187 Ca 0.33 -1.72 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 3kla s THR 187 Cb -0.17 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.64 3kla s THR 187 CO 0.15 0.08 0.67 -1.38 -0.54 0.00 0.00 174.62 173.61 3kla s HIS 188 N -1.10 -0.30 0.06 3.99 -3.43 -1.03 -5.01 115.29 108.48 3kla s HIS 188 Ca 0.15 -0.08 0.09 0.00 -0.80 0.00 0.00 55.06 54.43 3kla s HIS 188 Cb -0.10 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.66 3kla s HIS 188 CO 0.07 -1.10 -0.25 1.41 -2.00 0.00 0.00 174.74 172.87 3kla s MET 189 N -3.86 1.75 0.14 -0.38 1.75 -1.26 -0.54 119.30 116.89 3kla s MET 189 Ca 0.08 -1.15 0.08 0.00 -1.25 0.00 0.00 55.69 53.45 3kla s MET 189 Cb -0.04 -1.99 -0.04 0.00 2.84 0.00 0.00 34.83 35.60 3kla s MET 189 CO 0.00 0.50 -0.12 0.95 -0.65 0.00 0.00 175.02 175.70 3kla s THR 190 N -0.88 3.16 -0.11 10.11 -4.23 0.38 -4.95 115.64 119.12 3kla s THR 190 Ca 0.13 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3kla s THR 190 Cb -0.10 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3kla s THR 190 CO 0.03 0.02 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.77 3kla s HIS 191 N -1.39 1.51 -0.09 3.99 2.46 -1.26 -1.16 115.29 119.35 3kla s HIS 191 Ca 0.22 -0.74 -0.01 0.00 0.47 0.00 0.00 55.06 55.00 3kla s HIS 191 Cb -0.10 -1.23 0.03 0.00 -0.13 0.00 0.00 32.58 31.14 3kla s HIS 191 CO 0.13 -0.50 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.28 3kla s HIS 192 N 1.58 1.09 -0.63 3.88 5.04 -0.45 -4.96 115.29 120.85 3kla s HIS 192 Ca 0.03 -0.46 -0.26 0.00 -1.54 0.00 0.00 55.06 52.83 3kla s HIS 192 Cb -0.13 -1.01 -0.04 0.00 0.04 0.00 0.00 32.58 31.44 3kla s HIS 192 CO -0.07 -0.40 2.01 0.00 -2.34 0.00 0.00 174.74 173.94 3kla s ALA 193 N 1.71 1.93 0.25 1.58 0.00 -1.26 -0.23 121.76 125.73 3kla s ALA 193 Ca 0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 3kla s ALA 193 Cb -0.13 -4.36 0.46 0.00 0.00 0.00 0.00 23.12 19.09 3kla s ALA 193 CO -0.06 -4.22 1.78 0.28 0.00 0.00 0.00 175.76 173.54 3kla h VAL 194 N 7.14 0.80 -1.77 0.00 2.07 -1.74 -3.47 116.25 119.28 3kla h VAL 194 Ca -0.20 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3kla h VAL 194 Cb 1.16 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kla h VAL 194 CO 1.20 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 177.37 3kla n SER 195 N -4.84 0.00 0.08 0.57 3.41 -1.01 -4.99 113.62 106.83 3kla n SER 195 Ca 0.15 -0.77 0.10 0.00 -0.26 0.00 0.00 58.87 58.09 3kla n SER 195 Cb 0.36 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.74 3kla n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kla n ASP 196 N -1.27 0.43 0.00 4.04 5.75 -1.26 -3.57 116.55 120.66 3kla n ASP 196 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 3kla n ASP 196 Cb 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 3kla n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kla n HIS 197 N -1.97 0.00 -3.98 2.11 1.44 -1.26 -5.01 115.22 106.56 3kla n HIS 197 Ca 0.03 -0.14 -0.09 0.00 -2.01 0.00 0.00 57.72 55.51 3kla n HIS 197 Cb 0.23 -0.01 -0.11 0.00 0.12 0.00 0.00 29.99 30.22 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 -0.27 0.38 0.01 -1.40 2.02 -1.23 -2.92 118.70 115.28 3kla s GLU 198 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.33 3kla s GLU 198 Cb 0.00 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.36 3kla s GLU 198 CO 0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 175.26 175.16 3kla s ALA 199 N -1.82 0.36 -0.03 5.21 0.00 -0.62 -2.04 121.76 122.82 3kla s ALA 199 Ca -0.12 -0.30 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 3kla s ALA 199 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3kla s ALA 199 CO -0.02 0.05 0.83 0.99 0.00 0.00 0.00 175.76 177.61 3kla s THR 200 N -0.39 4.96 -0.20 0.00 2.01 0.67 -0.21 115.64 122.49 3kla s THR 200 Ca -0.01 1.73 -0.06 0.00 0.31 0.00 0.00 61.69 63.65 3kla s THR 200 Cb -0.03 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 3kla s THR 200 CO -0.00 0.21 0.02 -0.76 -0.69 0.00 0.00 174.62 173.40 3kla s LEU 201 N 0.89 3.41 -0.14 4.42 1.43 0.86 -1.34 118.68 128.20 3kla s LEU 201 Ca 0.44 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3kla s LEU 201 Cb -0.19 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3kla s LEU 201 CO 0.23 0.08 -0.21 -0.60 0.23 0.00 0.00 176.35 176.08 3kla s ARG 202 N 0.92 3.06 -0.27 1.70 3.52 -0.31 -0.71 118.95 126.86 3kla s ARG 202 Ca 0.02 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 3kla s ARG 202 Cb -0.14 -2.47 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 3kla s ARG 202 CO 0.02 -0.01 0.18 0.00 -0.81 0.00 0.00 175.30 174.68 3kla s TRP 204 N 1.54 3.21 -0.12 0.00 0.52 0.29 -1.27 118.94 123.11 3kla s TRP 204 Ca 0.07 0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.44 3kla s TRP 204 Cb -0.15 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3kla s TRP 204 CO 0.09 0.50 -0.17 0.00 0.02 0.00 0.00 176.95 177.39 3kla s ALA 205 N -0.91 1.82 0.14 0.98 0.00 -0.29 -2.45 121.76 121.05 3kla s ALA 205 Ca 0.14 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3kla s ALA 205 Cb -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 3kla s ALA 205 CO 0.03 -0.08 -0.14 -0.51 0.00 0.00 0.00 175.76 175.06 3kla s LEU 206 N 0.98 2.45 -1.47 0.00 1.43 0.22 -1.32 118.68 120.97 3kla s LEU 206 Ca -0.06 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 3kla s LEU 206 Cb -0.15 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.53 3kla s LEU 206 CO -0.02 -0.17 0.84 -0.24 0.23 0.00 0.00 176.35 176.99 3kla n SER 207 N 0.25 -6.23 -4.81 2.29 2.88 -0.77 -0.69 113.62 106.54 3kla n SER 207 Ca -0.13 -0.39 -0.25 0.00 -1.33 0.00 0.00 58.87 56.77 3kla n SER 207 Cb 0.58 -4.97 -0.05 0.00 -0.75 0.00 0.00 64.21 59.02 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 -3.24 3.15 -0.23 0.66 -0.71 -1.08 -4.66 117.98 111.87 3kla s PHE 208 Ca 0.42 -0.05 -0.18 0.00 -1.04 0.00 0.00 56.93 56.08 3kla s PHE 208 Cb -0.18 -1.48 0.06 0.00 -1.21 0.00 0.00 43.02 40.21 3kla s PHE 208 CO 0.52 0.52 0.59 -0.47 -1.34 0.00 0.00 175.22 175.04 3kla s TYR 209 N -1.88 -0.74 0.68 3.49 5.04 -0.40 -0.80 117.35 122.74 3kla s TYR 209 Ca 0.32 1.67 -0.11 0.00 -2.44 0.00 0.00 57.07 56.50 3kla s TYR 209 Cb -0.09 0.32 0.16 0.00 0.35 0.00 0.00 41.96 42.70 3kla s TYR 209 CO 0.24 -0.36 0.71 -0.35 -1.34 0.00 0.00 175.55 174.45 3kla n PRO 210 N 3.30 -1.71 0.16 4.97 -0.04 -1.26 -1.24 135.00 139.17 3kla n PRO 210 Ca -0.16 -1.12 0.02 0.00 -0.04 0.00 0.00 63.50 62.20 3kla n PRO 210 Cb 0.56 -0.92 0.23 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.23 0.95 -2.66 0.55 0.00 -1.95 -3.45 119.26 110.47 3kla h ALA 211 Ca -0.25 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 53.67 3kla h ALA 211 Cb 0.74 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.50 3kla h ALA 211 CO 0.17 0.64 0.91 -2.00 0.00 0.00 0.00 179.25 178.98 3kla s GLU 212 N -3.54 4.18 -0.07 0.00 2.56 -1.26 -4.96 118.70 115.61 3kla s GLU 212 Ca -0.00 2.46 -0.30 0.00 0.00 0.00 0.00 54.97 57.13 3kla s GLU 212 Cb 0.12 -3.11 0.09 0.00 2.00 0.00 0.00 34.13 33.23 3kla s GLU 212 CO 0.73 -0.64 0.80 -1.50 -0.56 0.00 0.00 175.26 174.08 3kla s ILE 213 N 0.91 0.00 -0.08 -3.70 2.07 -1.26 -4.61 121.20 114.53 3kla s ILE 213 Ca 0.70 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.96 3kla s ILE 213 Cb -0.46 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.14 3kla s ILE 213 CO 0.34 0.00 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.34 3kla s THR 214 N -1.50 1.35 -0.11 4.00 2.01 -0.55 -4.99 115.64 115.85 3kla s THR 214 Ca -0.06 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3kla s THR 214 Cb -0.00 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.30 3kla s THR 214 CO 0.04 0.40 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.45 3kla s LEU 215 N 0.66 1.79 0.04 4.42 1.43 -1.26 -0.78 118.68 124.98 3kla s LEU 215 Ca -0.14 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3kla s LEU 215 Cb -0.16 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3kla s LEU 215 CO 0.04 0.03 -0.04 0.42 0.23 0.00 0.00 176.35 177.03 3kla s THR 216 N 0.90 0.29 0.02 5.49 -4.23 -0.41 -4.96 115.64 112.74 3kla s THR 216 Ca -0.08 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 3kla s THR 216 Cb -0.15 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 3kla s THR 216 CO -0.00 -0.68 -0.02 0.26 -0.54 0.00 0.00 174.62 173.63 3kla s TRP 217 N -2.48 2.99 0.11 3.99 0.52 -1.26 0.72 118.94 123.53 3kla s TRP 217 Ca -0.04 0.02 0.07 0.00 0.02 0.00 0.00 56.10 56.17 3kla s TRP 217 Cb -0.03 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 3kla s TRP 217 CO -0.04 0.44 -0.18 -0.65 0.02 0.00 0.00 176.95 176.54 3kla s GLN 218 N -1.67 1.08 -0.17 4.98 -0.21 0.98 -1.67 119.66 122.97 3kla s GLN 218 Ca 0.20 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.40 3kla s GLN 218 Cb -0.11 -1.16 0.02 0.00 1.00 0.00 0.00 33.01 32.75 3kla s GLN 218 CO 0.11 0.25 -0.20 0.50 -2.12 0.00 0.00 175.29 173.83 3kla s ARG 219 N -2.24 3.01 -1.16 2.91 3.52 0.18 -0.92 118.95 124.25 3kla s ARG 219 Ca 0.07 -0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 54.77 3kla s ARG 219 Cb -0.08 -2.55 0.06 0.00 -1.56 0.00 0.00 34.95 30.82 3kla s ARG 219 CO 0.04 -0.16 0.36 -0.25 -0.81 0.00 0.00 175.30 174.48 3kla n ASP 220 N 4.49 -3.49 0.00 -2.12 8.00 0.05 -0.50 116.55 122.99 3kla n ASP 220 Ca -0.21 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3kla n ASP 220 Cb 0.50 -2.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.69 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 -1.05 0.88 3.76 0.44 0.00 -1.26 -5.03 105.19 102.94 3kla n GLY 221 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.05 4.12 0.30 1.61 2.02 0.35 -5.01 118.70 122.03 3kla s GLU 222 Ca 0.00 0.15 -0.29 0.00 0.02 0.00 0.00 54.97 54.85 3kla s GLU 222 Cb 0.00 -3.37 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 3kla s GLU 222 CO 0.00 0.37 1.16 -0.51 0.02 0.00 0.00 175.26 176.29 3kla s ASP 223 N 0.06 7.11 -0.51 -0.19 1.01 -1.26 -0.65 116.67 122.24 3kla s ASP 223 Ca 0.18 2.39 0.02 0.00 0.71 0.00 0.00 52.55 55.85 3kla s ASP 223 Cb -0.14 -2.63 0.46 0.00 1.01 0.00 0.00 42.92 41.62 3kla s ASP 223 CO 0.06 -0.26 1.71 0.00 0.21 0.00 0.00 175.17 176.88 3kla n GLN 224 N 1.05 2.96 -0.15 8.23 1.13 -0.67 -4.85 117.38 125.09 3kla n GLN 224 Ca -0.01 -3.59 -0.04 0.00 -1.94 0.00 0.00 57.00 51.43 3kla n GLN 224 Cb 0.44 -2.26 0.03 0.00 0.11 0.00 0.00 30.24 28.56 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 1.42 0.46 0.00 5.09 2.02 -1.92 0.07 112.91 120.04 3kla h THR 225 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.69 3kla h THR 225 Cb 1.18 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3kla h THR 225 CO 1.23 0.00 0.00 1.56 0.37 0.00 0.00 175.52 178.68 3kla h GLN 226 N -0.05 0.00 -0.33 6.66 4.20 -1.99 -2.64 115.11 120.95 3kla h GLN 226 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3kla h GLN 226 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kla h GLN 226 CO -0.51 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.40 3kla n ASP 227 N -2.35 2.90 -4.67 1.46 9.92 -0.08 -4.95 116.55 118.78 3kla n ASP 227 Ca 0.02 -1.91 -0.35 0.00 -0.53 0.00 0.00 54.79 52.03 3kla n ASP 227 Cb 0.27 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.02 4.97 -0.30 -3.53 2.01 -0.65 -4.54 115.64 112.58 3kla s THR 228 Ca 0.25 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.09 3kla s THR 228 Cb 0.14 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 3kla s THR 228 CO 0.18 0.47 0.57 -0.70 -0.69 0.00 0.00 174.62 174.45 3kla s GLU 229 N 0.25 3.91 -0.04 4.92 2.12 -0.27 -4.95 118.70 124.64 3kla s GLU 229 Ca 0.05 0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.67 3kla s GLU 229 Cb -0.12 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 3kla s GLU 229 CO -0.00 -0.51 -0.21 -1.17 -0.54 0.00 0.00 175.26 172.83 3kla s LEU 230 N 2.47 2.33 0.20 2.70 2.96 -1.26 -0.68 118.68 127.39 3kla s LEU 230 Ca 0.23 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3kla s LEU 230 Cb -0.15 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 3kla s LEU 230 CO 0.11 0.31 0.21 0.68 -1.32 0.00 0.00 176.35 176.34 3kla s VAL 231 N -0.53 4.73 0.36 1.68 -7.23 -1.10 -5.04 120.40 113.26 3kla s VAL 231 Ca 0.07 -1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 58.87 3kla s VAL 231 Cb -0.11 -3.48 -0.11 0.00 0.56 0.00 0.00 36.38 33.24 3kla s VAL 231 CO 0.01 -0.20 1.48 -0.70 -0.31 0.00 0.00 175.10 175.38 3kla s GLU 232 N -3.45 4.14 0.29 4.82 2.12 -1.26 -4.62 118.70 120.74 3kla s GLU 232 Ca 0.32 2.53 -0.30 0.00 0.36 0.00 0.00 54.97 57.88 3kla s GLU 232 Cb -0.09 -2.99 -0.12 0.00 0.26 0.00 0.00 34.13 31.19 3kla s GLU 232 CO 0.25 -0.51 1.60 2.41 -0.54 0.00 0.00 175.26 178.48 3kla n THR 233 N 0.76 0.95 -4.31 -1.70 -1.04 -1.26 -4.85 114.28 102.82 3kla n THR 233 Ca 0.02 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.05 61.60 3kla n THR 233 Cb 0.39 -1.96 -0.13 0.00 -1.82 0.00 0.00 70.33 66.81 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 -0.39 0.85 0.22 -2.82 1.70 -0.52 -4.96 118.95 113.03 3kla s ARG 234 Ca 0.65 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 3kla s ARG 234 Cb -0.50 -0.83 -0.09 0.00 -0.57 0.00 0.00 34.95 32.96 3kla s ARG 234 CO 0.47 0.20 1.11 -1.25 -1.08 0.00 0.00 175.30 174.76 3kla s PRO 235 N -1.08 4.60 0.45 3.89 0.04 -1.26 -0.71 135.00 140.93 3kla s PRO 235 Ca 0.00 1.78 0.25 0.00 0.04 0.00 0.00 61.00 63.08 3kla s PRO 235 Cb -0.08 -3.23 0.66 0.00 0.04 0.00 0.00 34.50 31.90 3kla s PRO 235 CO 0.01 0.11 1.72 0.00 0.04 0.00 0.00 177.00 178.88 3kla h ALA 236 N 4.54 0.96 0.00 8.56 0.00 -1.05 -3.47 119.26 128.81 3kla h ALA 236 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kla h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kla h ALA 236 CO 0.70 0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.48 3kla n GLY 237 N 0.70 1.00 0.71 0.00 0.00 -1.26 -4.92 105.19 101.43 3kla n GLY 237 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 3.49 0.00 1.61 5.75 -1.26 -4.94 116.55 121.20 3kla n ASP 238 Ca 0.00 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 3kla n ASP 238 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.53 0.75 3.84 6.12 0.00 -1.26 -5.07 105.19 109.05 3kla n GLY 239 Ca 0.19 0.00 -0.25 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 -2.73 2.05 0.27 2.61 -4.23 -1.26 -4.86 115.64 107.49 3kla s THR 240 Ca 0.00 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 3kla s THR 240 Cb 0.00 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 3kla s THR 240 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 3kla s PHE 241 N -2.66 1.91 0.04 3.99 0.40 0.02 -0.42 117.98 121.26 3kla s PHE 241 Ca 0.38 -0.71 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3kla s PHE 241 Cb -0.01 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 3kla s PHE 241 CO 0.22 0.26 -0.01 -0.65 0.70 0.00 0.00 175.22 175.74 3kla s GLN 242 N -3.74 0.53 0.04 0.44 -0.21 0.11 -1.84 119.66 115.00 3kla s GLN 242 Ca 0.29 -0.97 -0.27 0.00 0.02 0.00 0.00 55.36 54.43 3kla s GLN 242 Cb 0.04 0.19 0.08 0.00 1.00 0.00 0.00 33.01 34.32 3kla s GLN 242 CO 0.11 -0.10 0.71 0.21 -2.12 0.00 0.00 175.29 174.11 3kla s LYS 243 N -3.01 1.07 0.05 2.91 2.20 -0.44 -1.44 119.74 121.08 3kla s LYS 243 Ca -0.01 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.35 3kla s LYS 243 Cb 0.01 0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 3kla s LYS 243 CO -0.07 -0.43 0.11 1.67 -0.36 0.00 0.00 175.35 176.27 3kla s TRP 244 N -2.72 0.24 -0.01 4.03 1.48 -1.26 -1.14 118.94 119.56 3kla s TRP 244 Ca -0.02 -0.62 0.01 0.00 -1.06 0.00 0.00 56.10 54.41 3kla s TRP 244 Cb -0.01 -0.16 0.01 0.00 -1.16 0.00 0.00 33.47 32.15 3kla s TRP 244 CO -0.05 -0.42 -0.03 0.00 -4.06 0.00 0.00 176.95 172.39 3kla s ALA 245 N -3.22 0.30 0.09 2.67 0.00 -0.40 -2.70 121.76 118.51 3kla s ALA 245 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3kla s ALA 245 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3kla s ALA 245 CO -0.07 0.03 -0.17 0.00 0.00 0.00 0.00 175.76 175.55 3kla s ALA 246 N 0.25 1.44 0.03 0.00 0.00 0.14 0.17 121.76 123.79 3kla s ALA 246 Ca -0.02 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3kla s ALA 246 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3kla s ALA 246 CO -0.01 0.23 -0.10 0.14 0.00 0.00 0.00 175.76 176.02 3kla s VAL 247 N -1.34 0.78 -0.30 0.00 -7.23 0.11 -1.11 120.40 111.31 3kla s VAL 247 Ca 0.02 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 3kla s VAL 247 Cb -0.09 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 3kla s VAL 247 CO 0.03 -0.13 0.34 -0.69 -0.31 0.00 0.00 175.10 174.34 3kla s VAL 248 N -0.93 5.20 -0.07 1.32 1.01 -1.26 -0.10 120.40 125.57 3kla s VAL 248 Ca -0.03 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3kla s VAL 248 Cb -0.08 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3kla s VAL 248 CO 0.01 0.09 -0.10 0.68 0.00 0.00 0.00 175.10 175.78 3kla s VAL 249 N 2.00 3.46 0.00 2.92 -7.23 0.71 -4.94 120.40 117.32 3kla s VAL 249 Ca 0.12 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 3kla s VAL 249 Cb -0.16 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.37 3kla s VAL 249 CO 0.11 0.58 0.00 -2.65 -0.31 0.00 0.00 175.10 172.83 3kla n PRO 250 N 2.45 -0.47 -2.07 4.82 -0.02 -1.26 -1.59 135.00 136.86 3kla n PRO 250 Ca -0.18 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.87 3kla n PRO 250 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.98 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 -1.42 6.03 -1.28 2.55 0.01 -1.15 -2.82 113.70 115.62 3kla s SER 251 Ca 0.00 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.53 3kla s SER 251 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3kla s SER 251 CO 0.00 -1.61 0.00 0.61 0.41 0.00 0.00 173.24 172.65 3kla n GLY 252 N 5.28 1.28 1.36 3.44 0.00 -1.26 -4.87 105.19 110.43 3kla n GLY 252 Ca 0.21 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.30 2.95 -0.31 1.61 6.02 -1.13 -4.59 117.38 119.63 3kla n GLN 253 Ca -0.12 -2.54 0.16 0.00 -0.01 0.00 0.00 57.00 54.49 3kla n GLN 253 Cb 0.44 -1.65 0.42 0.00 1.02 0.00 0.00 30.24 30.46 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 3.95 0.57 0.00 -1.09 3.07 -1.90 0.12 114.58 119.30 3kla h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kla h GLU 254 Cb 1.09 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3kla h GLU 254 CO 0.08 0.38 0.00 -0.56 -1.40 0.00 0.00 179.01 177.51 3kla h GLN 255 N 0.59 0.00 0.00 2.33 -0.00 -1.81 -2.59 115.11 113.63 3kla h GLN 255 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 3kla h GLN 255 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.55 3kla h GLN 255 CO -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.55 3kla h ARG 256 N 0.00 0.00 -5.76 0.06 3.08 -1.32 -3.46 114.38 106.98 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 0.38 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 3kla h ARG 256 CO 0.00 0.00 -0.53 0.71 -1.07 0.00 0.00 179.97 179.08 3kla s TYR 257 N -3.36 3.46 -0.01 3.04 1.51 -0.98 -0.77 117.35 120.25 3kla s TYR 257 Ca 0.05 0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 3kla s TYR 257 Cb 0.07 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.04 3kla s TYR 257 CO 0.60 0.65 -0.07 0.95 -1.11 0.00 0.00 175.55 176.57 3kla s THR 258 N -1.00 0.55 -0.17 -0.71 -4.23 -0.09 -4.44 115.64 105.54 3kla s THR 258 Ca 0.15 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.29 3kla s THR 258 Cb -0.12 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 3kla s THR 258 CO 0.04 0.16 0.09 0.00 -0.54 0.00 0.00 174.62 174.38 3kla s HIS 260 N -0.00 2.73 -0.15 0.00 3.76 0.22 0.01 115.29 121.86 3kla s HIS 260 Ca 0.08 -0.87 0.01 0.00 -0.15 0.00 0.00 55.06 54.13 3kla s HIS 260 Cb -0.12 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 31.77 3kla s HIS 260 CO 0.00 -0.34 -0.19 0.08 -0.85 0.00 0.00 174.74 173.44 3kla s VAL 261 N 0.48 1.89 -0.13 -0.90 1.01 -0.16 -1.29 120.40 121.30 3kla s VAL 261 Ca -0.12 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3kla s VAL 261 Cb -0.16 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3kla s VAL 261 CO 0.05 0.51 -0.22 -1.10 0.00 0.00 0.00 175.10 174.34 3kla s GLN 262 N 1.17 3.05 -0.11 2.72 -0.21 0.04 -1.31 119.66 125.02 3kla s GLN 262 Ca 0.00 -0.85 -0.23 0.00 0.02 0.00 0.00 55.36 54.30 3kla s GLN 262 Cb -0.14 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.53 3kla s GLN 262 CO -0.08 0.06 0.56 -1.58 -2.12 0.00 0.00 175.29 172.14 3kla s HIS 263 N 0.63 -0.55 0.62 0.91 2.46 -1.26 -1.48 115.29 116.62 3kla s HIS 263 Ca -0.11 1.13 0.34 0.00 0.47 0.00 0.00 55.06 56.88 3kla s HIS 263 Cb -0.16 0.27 1.92 0.00 -0.13 0.00 0.00 32.58 34.47 3kla s HIS 263 CO 0.02 -0.44 2.20 1.49 -2.47 0.00 0.00 174.74 175.55 3kla h GLU 264 N 4.09 0.00 0.00 2.88 4.81 -1.94 -2.02 114.58 122.40 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 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3kla h GLU 264 CO 0.29 0.00 -0.18 0.78 -0.73 0.00 0.00 179.01 179.16 3kla h GLY 265 N 0.00 0.00 -5.23 1.92 0.00 -1.87 -3.45 103.07 94.44 3kla h GLY 265 Ca 0.03 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.79 3kla h GLY 265 CO -0.00 0.00 -0.03 1.08 0.00 0.00 0.00 176.54 177.59 3kla s LEU 266 N -4.56 4.31 0.23 3.11 1.43 -0.76 -4.49 118.68 117.95 3kla s LEU 266 Ca 0.09 1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 3kla s LEU 266 Cb 0.12 -2.89 0.26 0.00 0.03 0.00 0.00 46.19 43.71 3kla s LEU 266 CO 0.64 -0.04 1.86 1.55 0.23 0.00 0.00 176.35 180.59 3kla h PRO 267 N 6.62 0.94 -4.51 1.29 0.13 -1.87 -3.44 132.00 131.16 3kla h PRO 267 Ca -0.41 -0.06 -0.28 0.00 -0.87 0.00 0.00 66.00 64.38 3kla h PRO 267 Cb 1.19 -0.21 -0.22 0.00 0.13 0.00 0.00 31.00 31.88 3kla h PRO 267 CO 0.75 0.62 -0.74 0.15 -0.23 0.00 0.00 178.00 178.55 3kla s LYS 268 N -6.09 0.50 0.60 0.86 3.01 -1.26 -5.13 119.74 112.22 3kla s LYS 268 Ca -0.13 -0.67 -0.20 0.00 -1.01 0.00 0.00 55.97 53.97 3kla s LYS 268 Cb 0.17 -0.30 -0.03 0.00 -1.01 0.00 0.00 37.83 36.66 3kla s LYS 268 CO 0.78 0.06 1.25 -0.35 0.51 0.00 0.00 175.35 177.60 3kla n PRO 269 N 1.69 1.29 -3.71 -1.68 -0.04 -1.26 -4.96 135.00 126.33 3kla n PRO 269 Ca -0.21 0.49 -0.36 0.00 -0.04 0.00 0.00 63.50 63.37 3kla n PRO 269 Cb 0.55 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 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 -3.46 4.40 -0.25 1.53 1.43 -0.43 -4.91 118.68 117.00 3kla s LEU 270 Ca 0.77 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 3kla s LEU 270 Cb -0.41 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.35 3kla s LEU 270 CO 0.45 0.31 -0.12 -0.89 0.23 0.00 0.00 176.35 176.33 3kla s THR 271 N -1.18 2.18 -0.05 5.49 2.01 -1.26 -0.99 115.64 121.85 3kla s THR 271 Ca 0.24 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.74 3kla s THR 271 Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3kla s THR 271 CO 0.12 0.07 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.34 3kla s LEU 272 N 1.14 3.40 -0.06 4.42 1.02 0.10 -4.93 118.68 123.77 3kla s LEU 272 Ca -0.06 0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.09 3kla s LEU 272 Cb -0.19 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.23 3kla s LEU 272 CO -0.06 0.34 0.13 -0.60 0.02 0.00 0.00 176.35 176.18 3kla s ARG 273 N -1.08 0.10 -0.92 1.70 3.52 -1.26 -0.25 118.95 120.76 3kla s ARG 273 Ca 0.15 0.30 -0.25 0.00 -0.13 0.00 0.00 55.73 55.80 3kla s ARG 273 Cb -0.11 -0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.08 3kla s ARG 273 CO 0.04 -0.12 2.08 -0.46 -0.81 0.00 0.00 175.30 176.04 3kla s TRP 274 N 0.83 1.60 0.00 5.12 -0.11 -1.26 -5.08 118.94 120.04 3kla s TRP 274 Ca -0.06 1.10 0.00 0.00 1.22 0.00 0.00 56.10 58.35 3kla s TRP 274 Cb -0.08 -3.82 0.00 0.00 -1.50 0.00 0.00 33.47 28.06 3kla s TRP 274 CO -0.04 -1.56 0.00 0.39 -4.62 0.00 0.00 176.95 171.12