#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks6 s THR 2 N 0.00 -0.82 0.33 2.61 2.01 -1.26 -5.03 115.64 113.47 3ks6 s THR 2 Ca 0.00 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 3ks6 s THR 2 Cb 0.00 -0.84 -0.08 0.00 0.01 0.00 0.00 72.50 71.58 3ks6 s THR 2 CO 0.00 0.02 0.72 -0.13 -0.69 0.00 0.00 174.62 174.54 3ks6 s ARG 3 N 2.75 3.95 -0.14 4.92 0.52 -0.11 -4.93 118.95 125.90 3ks6 s ARG 3 Ca -0.00 0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 55.80 3ks6 s ARG 3 Cb -0.13 -2.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.89 3ks6 s ARG 3 CO -0.16 0.14 -0.12 0.42 0.02 0.00 0.00 175.30 175.60 3ks6 s ILE 4 N -2.03 3.07 -0.11 1.52 1.01 -1.26 -1.91 121.20 121.49 3ks6 s ILE 4 Ca 0.53 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3ks6 s ILE 4 Cb -0.10 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3ks6 s ILE 4 CO 0.20 0.51 -0.20 0.00 0.00 0.00 0.00 174.94 175.45 3ks6 s ALA 5 N 0.52 2.34 -0.38 9.38 0.00 -0.32 -2.11 121.76 131.19 3ks6 s ALA 5 Ca -0.08 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.66 3ks6 s ALA 5 Cb -0.16 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3ks6 s ALA 5 CO 0.04 0.26 1.02 0.45 0.00 0.00 0.00 175.76 177.53 3ks6 s SER 6 N 0.37 6.74 -0.32 0.00 0.15 0.05 -1.60 113.70 119.09 3ks6 s SER 6 Ca -0.15 0.68 -0.29 0.00 0.70 0.00 0.00 55.95 56.89 3ks6 s SER 6 Cb -0.17 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.63 3ks6 s SER 6 CO 0.07 -0.96 1.43 -2.28 1.20 0.00 0.00 173.24 172.70 3ks6 s HIS 7 N 3.77 2.42 -1.80 3.44 2.46 0.37 -0.60 115.29 125.34 3ks6 s HIS 7 Ca 0.43 0.72 0.00 0.00 0.47 0.00 0.00 55.06 56.68 3ks6 s HIS 7 Cb -0.11 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 3ks6 s HIS 7 CO 0.21 -2.13 0.00 0.54 -2.47 0.00 0.00 174.74 170.89 3ks6 n ARG 8 N 7.69 -1.68 -0.78 2.88 1.74 -0.14 -0.66 116.66 125.70 3ks6 n ARG 8 Ca 0.17 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 3ks6 n ARG 8 Cb 0.47 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 3ks6 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ks6 n GLY 9 N -0.91 0.86 0.00 -0.13 0.00 -1.12 -1.68 105.19 102.22 3ks6 n GLY 9 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3ks6 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks6 n GLY 10 N -2.07 0.79 0.25 -0.02 0.00 0.17 -4.16 105.19 100.15 3ks6 n GLY 10 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.27 3ks6 n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ks6 h THR 11 N 0.00 0.41 -0.00 2.61 2.02 -1.51 -0.29 112.91 116.14 3ks6 h THR 11 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3ks6 h THR 11 Cb 0.00 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3ks6 h THR 11 CO 0.00 0.01 -0.07 0.18 0.37 0.00 0.00 175.52 176.02 3ks6 n LEU 12 N -5.34 0.25 -0.13 2.58 4.77 -0.96 -1.01 117.00 117.16 3ks6 n LEU 12 Ca 0.10 0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 56.05 3ks6 n LEU 12 Cb 0.39 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 3ks6 n LEU 12 CO 0.07 0.05 -1.33 -0.62 -1.33 0.00 0.00 177.39 174.23 3ks6 n GLU 13 N -1.12 0.64 0.00 3.23 1.02 -0.24 -4.84 120.64 119.33 3ks6 n GLU 13 Ca 0.14 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3ks6 n GLU 13 Cb 0.26 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3ks6 n GLU 13 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ks6 n PHE 14 N -3.23 0.00 0.00 -0.32 3.72 -0.48 -5.07 117.46 112.08 3ks6 n PHE 14 Ca -0.45 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3ks6 n PHE 14 Cb 0.99 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3ks6 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ks6 n GLY 15 N -0.14 0.20 3.59 1.37 0.00 -0.18 -4.43 105.19 105.60 3ks6 n GLY 15 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3ks6 n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ks6 s ASP 16 N -1.76 6.64 -1.31 1.61 -1.08 -1.26 -3.97 116.67 115.54 3ks6 s ASP 16 Ca 0.00 0.47 -0.05 0.00 -0.52 0.00 0.00 52.55 52.45 3ks6 s ASP 16 Cb 0.00 -2.47 0.01 0.00 -1.46 0.00 0.00 42.92 39.00 3ks6 s ASP 16 CO 0.00 -0.95 1.05 -1.20 0.52 0.00 0.00 175.17 174.60 3ks6 n SER 17 N 6.98 -4.16 -4.93 -0.34 7.64 -0.67 -4.98 113.62 113.15 3ks6 n SER 17 Ca 0.07 -0.62 -0.28 0.00 1.01 0.00 0.00 58.87 59.06 3ks6 n SER 17 Cb 0.48 -4.86 -0.03 0.00 -1.01 0.00 0.00 64.21 58.79 3ks6 n SER 17 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ks6 s THR 18 N -3.37 5.30 0.27 0.44 -4.23 -1.26 -4.91 115.64 107.89 3ks6 s THR 18 Ca 0.33 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3ks6 s THR 18 Cb -0.15 -3.71 0.25 0.00 1.34 0.00 0.00 72.50 70.24 3ks6 s THR 18 CO 0.75 -0.05 1.77 -0.65 -0.54 0.00 0.00 174.62 175.89 3ks6 h PRO 19 N 2.36 0.64 -0.40 3.99 0.11 -1.93 -0.60 132.00 136.17 3ks6 h PRO 19 Ca -0.47 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3ks6 h PRO 19 Cb 1.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3ks6 h PRO 19 CO 0.70 0.42 0.24 1.25 -0.21 0.00 0.00 178.00 180.40 3ks6 h HIS 20 N 0.66 0.44 -0.32 0.65 -0.00 -1.94 -0.60 115.15 114.05 3ks6 h HIS 20 Ca 0.49 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.83 3ks6 h HIS 20 Cb 0.69 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 3ks6 h HIS 20 CO -0.07 0.26 0.03 0.78 -0.00 0.00 0.00 177.93 178.92 3ks6 h GLY 21 N 0.48 0.59 1.88 5.26 0.00 -1.57 0.30 103.07 110.01 3ks6 h GLY 21 Ca 0.16 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3ks6 h GLY 21 CO -0.07 0.38 -0.27 0.74 0.00 0.00 0.00 176.54 177.33 3ks6 h PHE 22 N 0.36 0.16 -0.07 5.60 0.04 -1.03 0.87 116.94 122.87 3ks6 h PHE 22 Ca 0.09 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 3ks6 h PHE 22 Cb 0.39 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3ks6 h PHE 22 CO 0.03 0.40 -0.22 1.15 -0.60 0.00 0.00 178.31 179.07 3ks6 h THR 23 N 0.13 1.42 -0.51 -1.55 2.02 -0.89 -2.39 112.91 111.15 3ks6 h THR 23 Ca 0.02 -1.58 -0.06 0.00 0.77 0.00 0.00 66.41 65.56 3ks6 h THR 23 Cb 0.54 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 3ks6 h THR 23 CO 0.04 0.45 0.09 0.00 0.37 0.00 0.00 175.52 176.47 3ks6 h ALA 24 N 0.46 0.68 -0.97 6.16 0.00 -0.72 -2.76 119.26 122.11 3ks6 h ALA 24 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ks6 h ALA 24 Cb 0.84 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3ks6 h ALA 24 CO 0.05 0.40 0.64 1.15 0.00 0.00 0.00 179.25 181.49 3ks6 h THR 25 N 0.72 1.23 -0.14 0.00 2.02 -0.84 -2.30 112.91 113.60 3ks6 h THR 25 Ca 0.16 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.93 3ks6 h THR 25 Cb 0.39 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3ks6 h THR 25 CO 0.01 0.24 0.13 0.00 0.37 0.00 0.00 175.52 176.27 3ks6 h ALA 26 N 1.40 1.84 -0.86 6.16 0.00 -1.12 -3.45 119.26 123.23 3ks6 h ALA 26 Ca 0.36 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.56 3ks6 h ALA 26 Cb -0.12 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.47 3ks6 h ALA 26 CO -0.09 -0.20 1.22 0.00 0.00 0.00 0.00 179.25 180.19 3ks6 n ALA 27 N -2.40 6.47 -3.18 0.00 0.00 -0.87 -4.56 120.51 115.97 3ks6 n ALA 27 Ca 0.00 -3.97 -0.26 0.00 0.00 0.00 0.00 53.44 49.22 3ks6 n ALA 27 Cb 0.25 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 3ks6 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ks6 n ALA 29 N 0.50 3.87 -2.35 0.00 0.00 -1.26 -5.13 120.51 116.15 3ks6 n ALA 29 Ca 0.53 -4.43 -0.20 0.00 0.00 0.00 0.00 53.44 49.34 3ks6 n ALA 29 Cb 0.32 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 3ks6 n ALA 29 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3ks6 s LEU 30 N -2.71 1.75 -0.14 0.00 0.05 -1.26 -4.96 118.68 111.41 3ks6 s LEU 30 Ca 0.43 -1.67 0.12 0.00 0.05 0.00 0.00 54.13 53.06 3ks6 s LEU 30 Cb 0.23 0.29 -0.17 0.00 -2.05 0.00 0.00 46.19 44.48 3ks6 s LEU 30 CO -0.08 -0.97 0.04 -0.62 -0.55 0.00 0.00 176.35 174.17 3ks6 n GLU 31 N -0.66 1.63 -4.02 1.48 4.71 -0.95 -4.62 120.64 118.20 3ks6 n GLU 31 Ca 0.02 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.09 3ks6 n GLU 31 Cb 0.64 -1.37 -0.10 0.00 -1.01 0.00 0.00 31.44 29.60 3ks6 n GLU 31 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3ks6 s GLU 32 N -2.35 0.51 -0.12 3.49 2.02 -0.90 -1.64 118.70 119.71 3ks6 s GLU 32 Ca -0.08 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 53.98 3ks6 s GLU 32 Cb 0.04 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.44 3ks6 s GLU 32 CO 0.58 -0.10 -0.13 0.54 0.02 0.00 0.00 175.26 176.17 3ks6 s VAL 33 N -2.87 3.11 -0.09 2.63 0.11 -0.30 -0.77 120.40 122.22 3ks6 s VAL 33 Ca -0.03 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 58.32 3ks6 s VAL 33 Cb 0.00 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.52 3ks6 s VAL 33 CO -0.06 0.53 0.15 -0.70 -3.33 0.00 0.00 175.10 171.69 3ks6 s GLU 34 N 0.21 3.43 0.18 1.54 -6.30 0.23 -0.94 118.70 117.05 3ks6 s GLU 34 Ca -0.08 -0.19 -0.23 0.00 -2.50 0.00 0.00 54.97 51.97 3ks6 s GLU 34 Cb -0.15 -3.15 0.06 0.00 0.00 0.00 0.00 34.13 30.89 3ks6 s GLU 34 CO 0.05 0.75 0.62 -0.59 0.02 0.00 0.00 175.26 176.11 3ks6 s PHE 35 N -1.11 -0.48 0.21 5.30 -0.71 -0.80 -0.97 117.98 119.42 3ks6 s PHE 35 Ca 0.19 0.23 0.11 0.00 -1.04 0.00 0.00 56.93 56.41 3ks6 s PHE 35 Cb -0.12 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 3ks6 s PHE 35 CO 0.08 -0.91 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.34 3ks6 s ASP 36 N -2.78 3.64 0.04 1.98 1.01 -1.26 -0.39 116.67 118.91 3ks6 s ASP 36 Ca 0.03 -0.85 0.04 0.00 0.71 0.00 0.00 52.55 52.47 3ks6 s ASP 36 Cb -0.02 -0.36 -0.02 0.00 1.01 0.00 0.00 42.92 43.53 3ks6 s ASP 36 CO -0.10 0.10 -0.11 -0.76 0.21 0.00 0.00 175.17 174.51 3ks6 s LEU 37 N -2.91 2.21 0.02 1.23 1.43 -1.16 -2.16 118.68 117.34 3ks6 s LEU 37 Ca 0.24 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3ks6 s LEU 37 Cb -0.07 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 3ks6 s LEU 37 CO 0.12 -0.07 -0.03 -1.00 0.23 0.00 0.00 176.35 175.60 3ks6 s HIS 38 N -1.05 0.26 0.40 0.29 3.76 -0.47 -4.32 115.29 114.16 3ks6 s HIS 38 Ca -0.03 -0.36 -0.19 0.00 -0.15 0.00 0.00 55.06 54.33 3ks6 s HIS 38 Cb -0.08 -0.18 -0.10 0.00 1.11 0.00 0.00 32.58 33.33 3ks6 s HIS 38 CO 0.01 -0.11 0.88 -1.25 -0.85 0.00 0.00 174.74 173.42 3ks6 s PRO 39 N -1.01 4.15 0.60 8.40 0.04 -1.26 -1.01 135.00 144.91 3ks6 s PRO 39 Ca -0.10 0.97 0.02 0.00 0.04 0.00 0.00 61.00 61.93 3ks6 s PRO 39 Cb -0.07 -2.26 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3ks6 s PRO 39 CO -0.01 0.02 0.84 0.95 0.04 0.00 0.00 177.00 178.84 3ks6 s THR 40 N -2.13 2.47 0.39 1.26 -4.23 -0.45 -2.76 115.64 110.19 3ks6 s THR 40 Ca 0.59 -0.68 0.14 0.00 -1.18 0.00 0.00 61.69 60.56 3ks6 s THR 40 Cb -0.09 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.08 3ks6 s THR 40 CO 0.15 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.10 3ks6 h ALA 41 N -0.09 1.46 -0.59 3.99 0.00 -1.58 -3.10 119.26 119.36 3ks6 h ALA 41 Ca -0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3ks6 h ALA 41 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ks6 h ALA 41 CO 0.47 0.39 0.02 -0.40 0.00 0.00 0.00 179.25 179.73 3ks6 n ASP 42 N -4.14 5.71 0.00 0.00 5.75 -1.26 -4.93 116.55 117.68 3ks6 n ASP 42 Ca -0.02 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 3ks6 n ASP 42 Cb 0.36 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3ks6 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ks6 n GLY 43 N 0.58 0.65 3.98 6.12 0.00 -1.17 -4.98 105.19 110.36 3ks6 n GLY 43 Ca 0.29 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3ks6 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 s ALA 44 N -2.00 4.42 -0.17 4.61 0.00 -1.26 -4.90 121.76 122.45 3ks6 s ALA 44 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.22 3ks6 s ALA 44 Cb 0.00 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.69 3ks6 s ALA 44 CO 0.00 -0.30 -0.16 0.42 0.00 0.00 0.00 175.76 175.72 3ks6 s ILE 45 N -2.40 1.80 -0.05 0.00 1.01 -1.26 -1.34 121.20 118.95 3ks6 s ILE 45 Ca 0.53 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 3ks6 s ILE 45 Cb -0.08 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3ks6 s ILE 45 CO 0.32 0.45 0.04 -0.69 0.00 0.00 0.00 174.94 175.06 3ks6 s VAL 46 N 1.38 4.53 -0.43 2.92 1.01 -0.18 -1.66 120.40 127.98 3ks6 s VAL 46 Ca 0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 3ks6 s VAL 46 Cb -0.13 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3ks6 s VAL 46 CO -0.11 0.48 0.43 -0.69 0.00 0.00 0.00 175.10 175.21 3ks6 s VAL 47 N -1.04 5.10 -0.17 2.92 1.01 -1.26 -1.36 120.40 125.59 3ks6 s VAL 47 Ca 0.18 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 3ks6 s VAL 47 Cb -0.12 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.30 3ks6 s VAL 47 CO 0.08 -0.45 0.81 -2.28 0.00 0.00 0.00 175.10 173.26 3ks6 s HIS 48 N 2.09 -0.61 -0.03 5.22 5.04 -0.92 -4.93 115.29 121.16 3ks6 s HIS 48 Ca 0.11 1.26 -0.04 0.00 -1.54 0.00 0.00 55.06 54.85 3ks6 s HIS 48 Cb -0.18 0.37 -0.02 0.00 0.04 0.00 0.00 32.58 32.79 3ks6 s HIS 48 CO 0.13 -0.43 0.30 1.25 -2.34 0.00 0.00 174.74 173.65 3ks6 h HIS 49 N 3.67 -0.13 -4.24 3.88 2.76 -1.93 -3.35 115.15 115.80 3ks6 h HIS 49 Ca -0.26 -0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.41 3ks6 h HIS 49 Cb 1.16 0.04 0.08 0.00 1.55 0.00 0.00 27.41 30.24 3ks6 h HIS 49 CO 0.36 -0.08 0.37 -0.51 -1.30 0.00 0.00 177.93 176.76 3ks6 s ASP 50 N -3.78 5.50 0.00 3.26 1.01 -1.26 -4.89 116.67 116.50 3ks6 s ASP 50 Ca -0.02 1.80 0.21 0.00 0.71 0.00 0.00 52.55 55.25 3ks6 s ASP 50 Cb 0.00 -2.53 1.12 0.00 1.01 0.00 0.00 42.92 42.52 3ks6 s ASP 50 CO 0.06 -1.36 1.68 -0.81 0.21 0.00 0.00 175.17 174.95 3ks6 n PRO 51 N -2.44 0.38 -4.38 8.23 -0.04 -1.26 -4.72 135.00 130.77 3ks6 n PRO 51 Ca 0.09 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 3ks6 n PRO 51 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 3ks6 n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ks6 s THR 52 N -2.46 1.99 -1.44 0.52 -4.23 -1.26 -1.06 115.64 107.69 3ks6 s THR 52 Ca 0.23 -2.12 0.28 0.00 -1.18 0.00 0.00 61.69 58.89 3ks6 s THR 52 Cb 0.14 -2.03 0.33 0.00 1.34 0.00 0.00 72.50 72.29 3ks6 s THR 52 CO 0.31 -0.40 1.78 0.18 -0.54 0.00 0.00 174.62 175.95 3ks6 n LEU 53 N -0.11 0.43 -0.11 4.79 4.77 -0.39 -4.57 117.00 121.82 3ks6 n LEU 53 Ca -0.10 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 3ks6 n LEU 53 Cb 0.59 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3ks6 n LEU 53 CO 0.33 0.09 0.96 0.44 -1.33 0.00 0.00 177.39 177.87 3ks6 h ASP 54 N 0.42 0.20 -0.10 -1.43 5.19 -1.87 -2.73 116.42 116.11 3ks6 h ASP 54 Ca 0.00 0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.26 3ks6 h ASP 54 Cb 0.41 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 3ks6 h ASP 54 CO 0.00 0.16 -0.57 0.00 -3.12 0.00 0.00 179.24 175.70 3ks6 h ALA 55 N 1.21 0.57 -0.16 3.45 0.00 -2.00 -3.33 119.26 119.00 3ks6 h ALA 55 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ks6 h ALA 55 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ks6 h ALA 55 CO -0.14 0.69 0.00 0.25 0.00 0.00 0.00 179.25 180.05 3ks6 n THR 56 N -3.97 0.81 -4.25 0.00 -2.24 -1.23 -4.99 114.28 98.40 3ks6 n THR 56 Ca -0.04 -0.90 -0.14 0.00 -2.27 0.00 0.00 64.05 60.70 3ks6 n THR 56 Cb 0.63 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 3ks6 n THR 56 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ks6 n THR 57 N 0.12 0.00 -0.41 4.28 -2.24 -1.03 -0.17 114.28 114.83 3ks6 n THR 57 Ca 0.06 -1.52 -0.11 0.00 -2.27 0.00 0.00 64.05 60.21 3ks6 n THR 57 Cb 0.31 0.65 0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3ks6 n THR 57 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ks6 n ASP 58 N -1.94 5.05 -3.48 3.42 5.75 -1.04 -4.81 116.55 119.50 3ks6 n ASP 58 Ca 0.00 -2.78 -0.13 0.00 -0.01 0.00 0.00 54.79 51.87 3ks6 n ASP 58 Cb 0.38 -0.90 -0.04 0.00 -1.03 0.00 0.00 41.12 39.54 3ks6 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3ks6 s THR 60 N -1.54 0.00 0.00 2.12 -1.32 -1.26 -5.01 115.64 108.63 3ks6 s THR 60 Ca 0.23 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 3ks6 s THR 60 Cb 0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 3ks6 s THR 60 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 3ks6 n GLY 61 N 0.19 3.30 3.70 6.08 0.00 -1.26 -4.83 105.19 112.36 3ks6 n GLY 61 Ca -0.16 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 3ks6 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 s ALA 62 N -2.89 3.40 0.25 4.61 0.00 -1.26 -1.26 121.76 124.61 3ks6 s ALA 62 Ca 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 3ks6 s ALA 62 Cb 0.00 -3.46 0.39 0.00 0.00 0.00 0.00 23.12 20.05 3ks6 s ALA 62 CO 0.00 -0.55 1.82 0.82 0.00 0.00 0.00 175.76 177.85 3ks6 h ILE 63 N 4.79 0.94 0.00 0.00 2.04 -1.41 -1.27 117.51 122.60 3ks6 h ILE 63 Ca -0.38 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3ks6 h ILE 63 Cb 1.19 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3ks6 h ILE 63 CO 0.83 0.15 0.00 1.62 0.00 0.00 0.00 178.15 180.76 3ks6 h VAL 64 N 0.83 0.00 -0.55 1.67 3.04 -1.74 -3.32 116.25 116.19 3ks6 h VAL 64 Ca 0.40 -0.22 -0.36 0.00 -1.01 0.00 0.00 66.70 65.51 3ks6 h VAL 64 Cb 0.33 1.15 -0.16 0.00 -2.01 0.00 0.00 31.29 30.60 3ks6 h VAL 64 CO -0.23 0.00 0.46 0.47 -1.01 0.00 0.00 177.57 177.26 3ks6 n ASP 65 N -2.93 6.08 -4.67 3.17 8.00 -0.48 -2.46 116.55 123.25 3ks6 n ASP 65 Ca -0.01 -3.11 -0.23 0.00 0.71 0.00 0.00 54.79 52.15 3ks6 n ASP 65 Cb 0.17 -0.98 -0.07 0.00 -0.02 0.00 0.00 41.12 40.22 3ks6 n ASP 65 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ks6 s THR 67 N -2.49 3.59 0.25 -3.53 -4.23 -1.26 -4.78 115.64 103.19 3ks6 s THR 67 Ca 0.35 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3ks6 s THR 67 Cb 0.28 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 71.43 3ks6 s THR 67 CO 0.01 -0.36 1.85 0.25 -0.54 0.00 0.00 174.62 175.83 3ks6 h LEU 68 N 1.87 0.88 -1.13 4.79 5.85 -1.93 -2.00 115.31 123.64 3ks6 h LEU 68 Ca -0.45 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3ks6 h LEU 68 Cb 1.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3ks6 h LEU 68 CO 0.60 0.55 0.59 0.00 -0.34 0.00 0.00 178.44 179.84 3ks6 h ALA 69 N 1.43 1.40 -0.17 1.25 0.00 -2.02 0.31 119.26 121.45 3ks6 h ALA 69 Ca 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3ks6 h ALA 69 Cb 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ks6 h ALA 69 CO -0.19 0.54 -0.03 -0.22 0.00 0.00 0.00 179.25 179.35 3ks6 h LYS 70 N 1.17 0.32 -0.88 0.00 1.63 -1.90 -2.74 116.57 114.18 3ks6 h LYS 70 Ca 0.34 -0.12 0.09 0.00 -0.85 0.00 0.00 60.65 60.11 3ks6 h LYS 70 Cb -0.07 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.47 3ks6 h LYS 70 CO -0.09 0.59 0.52 0.28 -3.45 0.00 0.00 179.45 177.30 3ks6 h VAL 71 N 0.04 0.94 0.00 2.00 2.07 -0.84 -0.78 116.25 119.68 3ks6 h VAL 71 Ca 0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3ks6 h VAL 71 Cb 0.46 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3ks6 h VAL 71 CO 0.02 0.16 0.00 0.11 0.02 0.00 0.00 177.57 177.88 3ks6 h LYS 72 N 0.88 0.00 0.00 1.57 1.79 -0.71 -1.73 116.57 118.37 3ks6 h LYS 72 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 3ks6 h LYS 72 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3ks6 h LYS 72 CO -0.24 0.00 0.00 1.79 -1.08 0.00 0.00 179.45 179.92 3ks6 h THR 73 N 0.00 0.00 -3.95 -0.16 1.35 -0.85 -3.45 112.91 105.85 3ks6 h THR 73 Ca 0.00 -0.64 -0.51 0.00 -0.55 0.00 0.00 66.41 64.70 3ks6 h THR 73 Cb 0.28 1.62 0.06 0.00 -1.73 0.00 0.00 68.15 68.38 3ks6 h THR 73 CO 0.00 0.00 0.53 0.00 -0.25 0.00 0.00 175.52 175.80 3ks6 s ALA 74 N -3.21 3.15 -0.07 6.62 0.00 -0.65 -5.04 121.76 122.56 3ks6 s ALA 74 Ca 0.08 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3ks6 s ALA 74 Cb 0.09 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3ks6 s ALA 74 CO 0.60 -0.64 -0.12 0.95 0.00 0.00 0.00 175.76 176.54 3ks6 s THR 75 N -1.39 3.21 -0.07 0.00 -4.23 -1.26 -4.25 115.64 107.64 3ks6 s THR 75 Ca 0.58 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 60.15 3ks6 s THR 75 Cb -0.33 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3ks6 s THR 75 CO 0.41 0.58 0.94 -0.63 -0.54 0.00 0.00 174.62 175.38 3ks6 s ILE 76 N -0.55 4.86 0.23 2.99 1.01 -0.53 -2.49 121.20 126.71 3ks6 s ILE 76 Ca 0.08 1.92 -0.32 0.00 0.00 0.00 0.00 60.65 62.33 3ks6 s ILE 76 Cb -0.12 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 3ks6 s ILE 76 CO 0.02 0.09 1.49 0.54 0.00 0.00 0.00 174.94 177.08 3ks6 n ARG 77 N 4.49 2.20 -1.18 2.79 1.74 0.76 -1.27 116.66 126.18 3ks6 n ARG 77 Ca 0.06 0.79 -0.06 0.00 -0.77 0.00 0.00 57.85 57.86 3ks6 n ARG 77 Cb 0.50 -2.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 3ks6 n ARG 77 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ks6 n TYR 78 N 2.35 0.00 -0.68 -1.55 4.01 -1.26 -4.56 117.16 115.47 3ks6 n TYR 78 Ca 0.12 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.94 3ks6 n TYR 78 Cb 0.32 -1.72 0.25 0.00 -0.31 0.00 0.00 39.34 37.88 3ks6 n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ks6 n GLY 79 N -1.09 3.40 4.06 2.72 0.00 -0.40 -4.56 105.19 109.34 3ks6 n GLY 79 Ca -0.06 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 3ks6 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 n ALA 80 N 0.10 -1.52 -0.71 4.61 0.00 -1.26 -1.12 120.51 120.61 3ks6 n ALA 80 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ks6 n ALA 80 Cb 0.76 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3ks6 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ks6 n GLY 81 N -1.65 0.80 3.76 0.00 0.00 -1.26 -5.06 105.19 101.77 3ks6 n GLY 81 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3ks6 n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ks6 s SER 82 N -2.72 4.41 0.25 1.61 0.01 -0.27 -4.83 113.70 112.16 3ks6 s SER 82 Ca 0.00 1.92 0.10 0.00 1.31 0.00 0.00 55.95 59.28 3ks6 s SER 82 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3ks6 s SER 82 CO 0.00 -2.10 -0.05 -1.00 0.41 0.00 0.00 173.24 170.50 3ks6 s HIS 83 N -2.73 2.62 0.00 2.43 0.09 -1.26 -1.45 115.29 114.98 3ks6 s HIS 83 Ca 0.63 -0.24 0.00 0.00 -0.00 0.00 0.00 55.06 55.46 3ks6 s HIS 83 Cb -0.19 -1.18 0.00 0.00 -0.00 0.00 0.00 32.58 31.21 3ks6 s HIS 83 CO 0.53 0.61 0.00 -2.30 -0.00 0.00 0.00 174.74 173.58 3ks6 n PRO 84 N -0.65 0.30 -4.34 8.40 -0.02 -1.26 -4.72 135.00 132.70 3ks6 n PRO 84 Ca -0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.23 3ks6 n PRO 84 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.96 3ks6 n PRO 84 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ks6 s THR 86 N -0.39 1.62 0.21 3.45 -4.23 -1.26 -4.83 115.64 110.21 3ks6 s THR 86 Ca 0.00 -2.17 -0.09 0.00 -1.18 0.00 0.00 61.69 58.25 3ks6 s THR 86 Cb 0.00 -2.09 0.15 0.00 1.34 0.00 0.00 72.50 71.90 3ks6 s THR 86 CO 0.00 -0.56 1.81 0.25 -0.54 0.00 0.00 174.62 175.58 3ks6 h LEU 87 N 2.55 0.58 -0.57 4.79 5.85 -1.63 -1.85 115.31 125.03 3ks6 h LEU 87 Ca -0.38 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3ks6 h LEU 87 Cb 1.22 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3ks6 h LEU 87 CO 0.63 0.38 0.28 -0.08 -0.34 0.00 0.00 178.44 179.31 3ks6 h GLU 88 N 0.72 0.52 -0.78 1.25 4.81 -1.93 0.19 114.58 119.35 3ks6 h GLU 88 Ca 0.31 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3ks6 h GLU 88 Cb 0.18 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3ks6 h GLU 88 CO -0.18 0.34 0.33 0.93 -0.73 0.00 0.00 179.01 179.71 3ks6 h GLU 89 N 0.54 1.15 -0.35 1.92 5.08 -1.89 -1.10 114.58 119.94 3ks6 h GLU 89 Ca 0.26 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3ks6 h GLU 89 Cb 0.19 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3ks6 h GLU 89 CO -0.19 0.92 0.19 1.25 -1.00 0.00 0.00 179.01 180.19 3ks6 h LEU 90 N 1.12 0.44 -0.85 1.33 5.85 -0.49 -2.89 115.31 119.82 3ks6 h LEU 90 Ca 0.26 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3ks6 h LEU 90 Cb 0.18 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3ks6 h LEU 90 CO -0.03 0.40 0.54 0.00 -0.34 0.00 0.00 178.44 179.01 3ks6 h ALA 92 N 1.36 1.85 0.00 0.00 0.00 -1.02 -0.87 119.26 120.59 3ks6 h ALA 92 Ca 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3ks6 h ALA 92 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ks6 h ALA 92 CO -0.13 0.09 -0.22 -0.07 0.00 0.00 0.00 179.25 178.92 3ks6 h LEU 93 N 0.45 0.00 -1.91 0.00 3.38 -1.09 -3.26 115.31 112.88 3ks6 h LEU 93 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ks6 h LEU 93 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ks6 h LEU 93 CO -0.05 0.22 0.00 -1.22 0.09 0.00 0.00 178.44 177.49 3ks6 n TYR 94 N -3.57 0.16 -0.22 1.13 4.02 -0.37 -4.64 117.16 113.66 3ks6 n TYR 94 Ca -0.01 -0.12 0.02 0.00 -0.01 0.00 0.00 57.90 57.79 3ks6 n TYR 94 Cb 0.36 -0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.81 3ks6 n TYR 94 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 3ks6 h VAL 95 N 3.15 0.69 -0.46 -0.72 3.04 -1.51 -2.18 116.25 118.26 3ks6 h VAL 95 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 3ks6 h VAL 95 Cb 0.72 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3ks6 h VAL 95 CO 0.00 0.07 0.00 0.47 -1.01 0.00 0.00 177.57 177.10 3ks6 n ASP 96 N -5.04 3.26 -4.88 3.17 8.00 -1.26 -5.00 116.55 114.80 3ks6 n ASP 96 Ca 0.11 -1.97 -0.31 0.00 0.71 0.00 0.00 54.79 53.33 3ks6 n ASP 96 Cb 0.34 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3ks6 n ASP 96 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ks6 s SER 97 N -1.04 6.57 0.10 -2.24 0.15 -0.82 -4.98 113.70 111.45 3ks6 s SER 97 Ca 0.32 0.96 0.27 0.00 0.70 0.00 0.00 55.95 58.21 3ks6 s SER 97 Cb 0.17 -2.25 1.02 0.00 -1.71 0.00 0.00 66.02 63.25 3ks6 s SER 97 CO 0.23 -0.21 1.84 0.00 1.20 0.00 0.00 173.24 176.30 3ks6 n HIS 98 N -0.70 0.45 -2.65 3.44 1.44 -1.26 -4.86 115.22 111.07 3ks6 n HIS 98 Ca 0.01 0.13 -0.41 0.00 -2.01 0.00 0.00 57.72 55.44 3ks6 n HIS 98 Cb 0.53 -0.72 -0.04 0.00 0.12 0.00 0.00 29.99 29.88 3ks6 n HIS 98 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3ks6 s VAL 99 N -3.06 4.20 0.54 0.61 1.01 -1.26 -4.97 120.40 117.47 3ks6 s VAL 99 Ca 0.12 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.07 3ks6 s VAL 99 Cb 0.15 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3ks6 s VAL 99 CO 0.55 0.33 0.44 0.20 0.00 0.00 0.00 175.10 176.62 3ks6 s ASN 100 N -0.24 4.69 -0.10 3.32 0.01 -0.65 -4.89 114.94 117.08 3ks6 s ASN 100 Ca 0.47 -1.19 -0.05 0.00 -0.71 0.00 0.00 52.86 51.38 3ks6 s ASN 100 Cb -0.26 0.36 -0.04 0.00 0.41 0.00 0.00 41.25 41.72 3ks6 s ASN 100 CO 0.32 -1.11 0.10 -0.36 -1.51 0.00 0.00 177.10 174.54 3ks6 s PHE 101 N -2.75 3.46 -0.32 2.20 0.08 -0.21 -1.15 117.98 119.29 3ks6 s PHE 101 Ca 0.37 0.41 0.03 0.00 0.12 0.00 0.00 56.93 57.87 3ks6 s PHE 101 Cb -0.03 -1.88 0.09 0.00 -0.57 0.00 0.00 43.02 40.64 3ks6 s PHE 101 CO 0.23 0.65 0.03 0.50 -0.10 0.00 0.00 175.22 176.53 3ks6 s ARG 102 N -1.07 1.48 -0.26 0.44 3.52 -0.11 -0.93 118.95 122.01 3ks6 s ARG 102 Ca 0.16 -1.66 -0.11 0.00 -0.13 0.00 0.00 55.73 53.98 3ks6 s ARG 102 Cb -0.12 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.24 3ks6 s ARG 102 CO 0.05 -0.88 0.19 0.00 -0.81 0.00 0.00 175.30 173.84 3ks6 s GLU 104 N 1.51 4.07 -0.41 0.00 2.12 0.48 -0.88 118.70 125.59 3ks6 s GLU 104 Ca 0.07 -0.26 -0.19 0.00 0.36 0.00 0.00 54.97 54.96 3ks6 s GLU 104 Cb -0.15 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.92 3ks6 s GLU 104 CO 0.09 0.32 0.53 0.42 -0.54 0.00 0.00 175.26 176.08 3ks6 s ILE 105 N 0.27 4.98 0.07 -3.70 -1.09 -0.50 -2.98 121.20 118.23 3ks6 s ILE 105 Ca 0.07 -0.01 0.07 0.00 -2.23 0.00 0.00 60.65 58.55 3ks6 s ILE 105 Cb -0.11 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 3ks6 s ILE 105 CO -0.01 -0.43 -0.15 -0.54 -1.23 0.00 0.00 174.94 172.58 3ks6 s LYS 106 N 2.45 2.06 0.99 2.79 1.02 -1.26 -4.48 119.74 123.31 3ks6 s LYS 106 Ca 0.17 -1.01 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 3ks6 s LYS 106 Cb -0.16 -2.23 0.20 0.00 -0.52 0.00 0.00 37.83 35.13 3ks6 s LYS 106 CO 0.15 0.53 1.23 -1.25 -0.92 0.00 0.00 175.35 175.10 3ks6 s PRO 107 N -1.74 0.43 0.22 -1.68 0.04 -1.26 -4.69 135.00 126.32 3ks6 s PRO 107 Ca 0.17 -0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.00 3ks6 s PRO 107 Cb -0.11 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.68 3ks6 s PRO 107 CO 0.08 -2.59 0.30 0.41 0.04 0.00 0.00 177.00 175.24 3ks6 n GLY 108 N -2.88 -0.89 0.33 0.56 0.00 -0.65 -4.70 105.19 96.96 3ks6 n GLY 108 Ca 0.13 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.50 3ks6 n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ks6 h VAL 109 N -1.06 0.81 0.00 1.61 2.07 -1.89 -0.13 116.25 117.67 3ks6 h VAL 109 Ca -0.10 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3ks6 h VAL 109 Cb 0.28 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3ks6 h VAL 109 CO 0.07 0.15 0.00 -0.90 0.02 0.00 0.00 177.57 176.91 3ks6 n ASP 110 N -4.75 0.00 0.00 0.57 5.68 -1.26 -4.86 116.55 111.93 3ks6 n ASP 110 Ca 0.18 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 3ks6 n ASP 110 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 3ks6 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ks6 n GLY 111 N 0.36 0.76 3.89 6.12 0.00 -0.06 -5.02 105.19 111.23 3ks6 n GLY 111 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3ks6 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ks6 s LEU 112 N 0.00 4.29 0.54 0.99 1.43 -1.26 -4.79 118.68 119.88 3ks6 s LEU 112 Ca 0.00 0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 3ks6 s LEU 112 Cb 0.00 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 3ks6 s LEU 112 CO 0.00 0.10 1.36 -2.84 0.23 0.00 0.00 176.35 175.20 3ks6 s PRO 113 N -2.36 3.19 -0.03 1.29 0.02 -1.26 -1.64 135.00 134.20 3ks6 s PRO 113 Ca 0.38 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.34 3ks6 s PRO 113 Cb -0.13 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 3ks6 s PRO 113 CO 0.22 -1.16 1.24 0.71 -0.33 0.00 0.00 177.00 177.68 3ks6 s TYR 114 N -1.30 3.15 0.18 6.54 2.02 -1.26 -4.83 117.35 121.85 3ks6 s TYR 114 Ca 0.71 1.15 -0.32 0.00 -0.37 0.00 0.00 57.07 58.24 3ks6 s TYR 114 Cb -0.41 -3.47 -0.10 0.00 -0.40 0.00 0.00 41.96 37.58 3ks6 s TYR 114 CO 0.48 -1.51 1.59 -2.00 -1.57 0.00 0.00 175.55 172.54 3ks6 s GLU 115 N 2.13 4.20 0.00 -0.62 2.12 -1.26 -2.55 118.70 122.72 3ks6 s GLU 115 Ca 0.58 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.32 3ks6 s GLU 115 Cb -0.26 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3ks6 s GLU 115 CO 0.23 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 3ks6 n GLY 116 N 3.71 0.49 0.17 -1.50 0.00 -1.26 -4.90 105.19 101.90 3ks6 n GLY 116 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3ks6 n GLY 116 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ks6 h PHE 117 N 0.00 0.79 -0.72 1.61 3.57 -1.91 -2.70 116.94 117.58 3ks6 h PHE 117 Ca 0.00 -0.43 0.07 0.00 3.53 0.00 0.00 57.97 61.14 3ks6 h PHE 117 Cb 0.15 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3ks6 h PHE 117 CO 0.09 1.25 0.41 0.28 -2.23 0.00 0.00 178.31 178.11 3ks6 h VAL 118 N 0.30 0.96 -0.54 1.41 2.07 -1.91 0.39 116.25 118.94 3ks6 h VAL 118 Ca -0.10 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3ks6 h VAL 118 Cb 1.62 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3ks6 h VAL 118 CO 0.18 0.13 0.34 0.00 0.02 0.00 0.00 177.57 178.25 3ks6 h ALA 119 N 1.37 0.69 -0.55 1.67 0.00 -1.94 -1.10 119.26 119.40 3ks6 h ALA 119 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ks6 h ALA 119 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ks6 h ALA 119 CO -0.19 0.08 0.35 -0.07 0.00 0.00 0.00 179.25 179.42 3ks6 h LEU 120 N 0.69 0.65 -0.19 0.00 4.07 -1.02 -1.31 115.31 118.21 3ks6 h LEU 120 Ca 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 3ks6 h LEU 120 Cb -0.03 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 3ks6 h LEU 120 CO -0.07 0.50 0.05 0.58 -1.08 0.00 0.00 178.44 178.41 3ks6 h VAL 121 N 0.75 1.21 -0.74 1.22 2.07 -0.59 -0.65 116.25 119.51 3ks6 h VAL 121 Ca 0.20 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ks6 h VAL 121 Cb -0.05 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3ks6 h VAL 121 CO -0.04 0.20 0.49 0.40 0.02 0.00 0.00 177.57 178.64 3ks6 h ILE 122 N 0.11 1.19 -0.62 4.57 2.04 -1.11 -0.02 117.51 123.67 3ks6 h ILE 122 Ca 0.06 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3ks6 h ILE 122 Cb 0.27 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3ks6 h ILE 122 CO 0.00 0.18 0.28 0.00 0.00 0.00 0.00 178.15 178.62 3ks6 h ALA 123 N 1.27 0.80 -0.48 1.87 0.00 -1.14 -0.67 119.26 120.91 3ks6 h ALA 123 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 123 Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3ks6 h ALA 123 CO -0.06 0.38 0.12 0.78 0.00 0.00 0.00 179.25 180.46 3ks6 h GLY 124 N 0.85 0.83 1.03 0.00 0.00 -0.65 -0.86 103.07 104.28 3ks6 h GLY 124 Ca 0.21 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3ks6 h GLY 124 CO -0.02 0.48 0.40 1.41 0.00 0.00 0.00 176.54 178.81 3ks6 h LEU 125 N 0.65 1.06 -0.69 3.11 3.38 -0.78 -2.85 115.31 119.18 3ks6 h LEU 125 Ca 0.15 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ks6 h LEU 125 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ks6 h LEU 125 CO 0.00 0.89 0.26 -0.33 0.09 0.00 0.00 178.44 179.35 3ks6 h GLU 126 N 1.15 1.05 -0.45 1.13 4.39 -0.90 -1.47 114.58 119.48 3ks6 h GLU 126 Ca 0.28 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.80 3ks6 h GLU 126 Cb 0.11 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3ks6 h GLU 126 CO -0.04 0.88 0.30 -0.09 -1.16 0.00 0.00 179.01 178.90 3ks6 h ARG 127 N 0.99 0.53 -0.39 2.33 2.43 -0.96 -1.99 114.38 117.32 3ks6 h ARG 127 Ca 0.23 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3ks6 h ARG 127 Cb 0.24 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3ks6 h ARG 127 CO -0.02 0.35 0.00 0.72 -1.51 0.00 0.00 179.97 179.51 3ks6 n HIS 128 N -4.47 1.09 -2.97 2.20 8.25 -1.07 -5.11 115.22 113.13 3ks6 n HIS 128 Ca 0.04 -0.73 -0.10 0.00 -0.26 0.00 0.00 57.72 56.68 3ks6 n HIS 128 Cb 0.11 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 30.96 3ks6 n HIS 128 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ks6 n SER 129 N 0.17 -7.39 0.00 0.41 7.64 -0.58 -4.98 113.62 108.89 3ks6 n SER 129 Ca 0.21 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3ks6 n SER 129 Cb 0.83 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 3ks6 n SER 129 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ks6 n LEU 131 N 0.24 0.00 0.00 -3.43 7.94 -1.18 -4.81 117.00 115.76 3ks6 n LEU 131 Ca 0.03 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.01 3ks6 n LEU 131 Cb 0.36 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.68 3ks6 n LEU 131 CO 0.42 0.00 0.72 -0.62 -1.11 0.00 0.00 177.39 176.80 3ks6 n GLU 132 N 0.00 0.17 -0.56 1.96 -0.58 -1.26 -1.65 120.64 118.71 3ks6 n GLU 132 Ca 0.00 0.17 0.04 0.00 -0.42 0.00 0.00 57.16 56.95 3ks6 n GLU 132 Cb 0.00 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.61 3ks6 n GLU 132 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ks6 n ARG 133 N -1.34 2.58 -5.26 3.49 1.74 -1.26 -5.02 116.66 111.60 3ks6 n ARG 133 Ca 0.06 -2.94 -0.31 0.00 -0.77 0.00 0.00 57.85 53.89 3ks6 n ARG 133 Cb 0.13 -1.85 -0.16 0.00 -1.02 0.00 0.00 32.46 29.57 3ks6 n ARG 133 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ks6 s THR 134 N -2.96 2.02 -0.08 0.55 2.01 -0.66 -1.05 115.64 115.48 3ks6 s THR 134 Ca 0.43 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 3ks6 s THR 134 Cb 0.36 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 3ks6 s THR 134 CO 0.06 0.57 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.64 3ks6 s THR 135 N -0.30 4.08 0.01 -0.82 2.01 -0.10 -4.31 115.64 116.20 3ks6 s THR 135 Ca 0.01 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3ks6 s THR 135 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 3ks6 s THR 135 CO 0.02 0.60 0.00 -0.36 -0.69 0.00 0.00 174.62 174.20 3ks6 s PHE 136 N -0.86 3.07 0.06 4.92 0.08 -0.34 -0.59 117.98 124.33 3ks6 s PHE 136 Ca 0.13 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.26 3ks6 s PHE 136 Cb -0.11 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3ks6 s PHE 136 CO 0.02 0.46 -0.05 -1.54 -0.10 0.00 0.00 175.22 174.01 3ks6 s SER 137 N -1.62 0.78 -0.10 1.36 1.04 -0.06 -0.85 113.70 114.25 3ks6 s SER 137 Ca 0.20 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.47 3ks6 s SER 137 Cb -0.12 0.12 0.10 0.00 0.10 0.00 0.00 66.02 66.23 3ks6 s SER 137 CO 0.11 -0.44 0.87 -0.55 0.98 0.00 0.00 173.24 174.21 3ks6 s SER 138 N -2.56 -0.47 0.34 7.02 0.15 -1.13 -1.42 113.70 115.64 3ks6 s SER 138 Ca 0.03 0.45 0.24 0.00 0.70 0.00 0.00 55.95 57.37 3ks6 s SER 138 Cb 0.02 0.40 0.56 0.00 -1.71 0.00 0.00 66.02 65.28 3ks6 s SER 138 CO -0.05 -0.48 1.69 -0.26 1.20 0.00 0.00 173.24 175.34 3ks6 h PHE 139 N 2.62 0.00 -3.76 3.44 -1.00 -1.79 -0.71 116.94 115.75 3ks6 h PHE 139 Ca -0.22 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 59.93 3ks6 h PHE 139 Cb 1.17 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.58 3ks6 h PHE 139 CO 0.31 0.00 -0.29 -0.51 -1.61 0.00 0.00 178.31 176.21 3ks6 s LEU 140 N -5.46 4.04 0.40 1.54 1.02 -1.26 -4.80 118.68 114.16 3ks6 s LEU 140 Ca 0.09 0.23 0.08 0.00 0.02 0.00 0.00 54.13 54.55 3ks6 s LEU 140 Cb 0.08 -2.37 0.85 0.00 0.02 0.00 0.00 46.19 44.77 3ks6 s LEU 140 CO 0.64 -0.16 2.00 -0.07 0.02 0.00 0.00 176.35 178.77 3ks6 h LEU 141 N 8.56 0.35 -0.73 1.79 3.38 -1.96 -1.95 115.31 124.74 3ks6 h LEU 141 Ca -0.32 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3ks6 h LEU 141 Cb 1.17 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3ks6 h LEU 141 CO 0.63 0.35 0.44 0.00 0.09 0.00 0.00 178.44 179.94 3ks6 h ALA 142 N 1.71 0.99 0.00 1.53 0.00 -2.01 0.12 119.26 121.59 3ks6 h ALA 142 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ks6 h ALA 142 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ks6 h ALA 142 CO -0.01 0.17 0.00 0.43 0.00 0.00 0.00 179.25 179.85 3ks6 n SER 143 N -4.70 2.29 0.00 0.00 7.64 -0.73 -1.84 113.62 116.28 3ks6 n SER 143 Ca 0.09 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.55 3ks6 n SER 143 Cb 0.14 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 3ks6 n SER 143 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ks6 n ASP 145 N 1.05 0.00 -0.14 6.43 8.00 0.41 -1.46 116.55 130.84 3ks6 n ASP 145 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3ks6 n ASP 145 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3ks6 n ASP 145 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ks6 h GLU 146 N 0.00 0.60 -0.90 -1.24 5.08 -1.62 -2.84 114.58 113.66 3ks6 h GLU 146 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3ks6 h GLU 146 Cb 0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3ks6 h GLU 146 CO 0.00 0.49 0.50 -0.07 -1.00 0.00 0.00 179.01 178.93 3ks6 h LEU 147 N 0.55 1.13 -1.14 1.33 3.38 -1.54 -1.36 115.31 117.65 3ks6 h LEU 147 Ca 0.15 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3ks6 h LEU 147 Cb 0.08 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3ks6 h LEU 147 CO -0.02 0.90 0.59 -0.25 0.09 0.00 0.00 178.44 179.75 3ks6 h TRP 148 N 1.26 1.06 0.05 1.13 7.01 -1.76 -0.55 115.95 124.17 3ks6 h TRP 148 Ca 0.32 0.03 -0.23 0.00 2.11 0.00 0.00 58.89 61.11 3ks6 h TRP 148 Cb 0.02 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 3ks6 h TRP 148 CO 0.01 0.57 -1.05 0.87 -2.79 0.00 0.00 178.44 176.06 3ks6 h LYS 149 N 1.06 0.21 0.00 2.65 1.57 -1.26 -3.37 116.57 117.43 3ks6 h LYS 149 Ca 0.38 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 3ks6 h LYS 149 Cb 0.15 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3ks6 h LYS 149 CO -0.14 1.08 -1.22 0.00 -0.57 0.00 0.00 179.45 178.60 3ks6 h ALA 150 N 0.80 0.65 -2.58 3.86 0.00 -0.53 -3.48 119.26 117.98 3ks6 h ALA 150 Ca -0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 53.98 3ks6 h ALA 150 Cb 1.74 0.19 -0.20 0.00 0.00 0.00 0.00 17.79 19.52 3ks6 h ALA 150 CO 0.16 0.82 -0.33 -0.08 0.00 0.00 0.00 179.25 179.83 3ks6 s THR 151 N -2.95 0.06 -2.58 0.00 -1.32 -0.28 -5.01 115.64 103.57 3ks6 s THR 151 Ca -0.01 -0.52 0.26 0.00 -1.21 0.00 0.00 61.69 60.21 3ks6 s THR 151 Cb 0.09 -0.57 0.40 0.00 -1.51 0.00 0.00 72.50 70.91 3ks6 s THR 151 CO 0.80 -0.29 1.56 0.35 -2.21 0.00 0.00 174.62 174.83 3ks6 n THR 152 N 1.34 0.00 -1.39 5.08 -2.24 -1.26 -4.59 114.28 111.21 3ks6 n THR 152 Ca -0.22 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 60.91 3ks6 n THR 152 Cb 0.56 0.82 0.10 0.00 -2.10 0.00 0.00 70.33 69.71 3ks6 n THR 152 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ks6 s ARG 153 N -2.06 2.10 0.49 -0.78 1.81 -1.26 -4.95 118.95 114.30 3ks6 s ARG 153 Ca 0.33 1.71 -0.23 0.00 -1.72 0.00 0.00 55.73 55.82 3ks6 s ARG 153 Cb 0.20 -1.83 -0.07 0.00 -0.45 0.00 0.00 34.95 32.81 3ks6 s ARG 153 CO 0.35 -1.86 1.34 -2.14 -0.68 0.00 0.00 175.30 172.31 3ks6 s PRO 154 N -4.00 3.48 0.07 3.54 0.02 -1.26 -4.86 135.00 131.99 3ks6 s PRO 154 Ca 0.73 2.19 0.08 0.00 0.02 0.00 0.00 61.00 64.02 3ks6 s PRO 154 Cb -0.28 -2.44 -0.03 0.00 0.02 0.00 0.00 34.50 31.77 3ks6 s PRO 154 CO 0.46 -0.90 -0.21 1.03 -0.33 0.00 0.00 177.00 177.05 3ks6 s ARG 155 N -2.67 1.26 -0.00 5.54 0.52 -1.26 -1.20 118.95 121.12 3ks6 s ARG 155 Ca 0.66 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3ks6 s ARG 155 Cb -0.39 -1.44 0.00 0.00 0.52 0.00 0.00 34.95 33.64 3ks6 s ARG 155 CO 0.48 0.35 -0.01 -0.48 0.02 0.00 0.00 175.30 175.66 3ks6 s LEU 156 N -1.52 1.87 -0.24 2.53 0.05 -0.03 -4.27 118.68 117.06 3ks6 s LEU 156 Ca 0.07 -0.02 -0.17 0.00 0.05 0.00 0.00 54.13 54.05 3ks6 s LEU 156 Cb -0.09 -0.09 -0.03 0.00 -2.05 0.00 0.00 46.19 43.92 3ks6 s LEU 156 CO 0.03 -0.00 0.47 0.86 -0.55 0.00 0.00 176.35 177.16 3ks6 s TRP 157 N 0.13 3.30 -0.26 3.48 -0.00 -0.62 -2.83 118.94 122.14 3ks6 s TRP 157 Ca -0.01 0.61 -0.25 0.00 -0.00 0.00 0.00 56.10 56.46 3ks6 s TRP 157 Cb -0.03 -2.65 -0.00 0.00 -0.00 0.00 0.00 33.47 30.79 3ks6 s TRP 157 CO -0.00 -0.19 0.84 -0.51 -0.00 0.00 0.00 176.95 177.08 3ks6 s LEU 158 N 1.97 4.07 -0.36 5.86 1.43 -0.27 -0.49 118.68 130.89 3ks6 s LEU 158 Ca 0.20 0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 54.20 3ks6 s LEU 158 Cb -0.15 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.93 3ks6 s LEU 158 CO 0.09 -0.56 0.15 -0.69 0.23 0.00 0.00 176.35 175.57 3ks6 s VAL 159 N 2.91 3.91 0.69 -1.59 1.01 0.07 -4.23 120.40 123.19 3ks6 s VAL 159 Ca 0.35 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3ks6 s VAL 159 Cb -0.15 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.98 3ks6 s VAL 159 CO 0.09 -0.28 1.14 -0.94 0.00 0.00 0.00 175.10 175.11 3ks6 s SER 160 N 1.58 4.73 0.30 3.32 1.04 -1.26 -4.17 113.70 119.25 3ks6 s SER 160 Ca 0.00 2.10 0.06 0.00 0.48 0.00 0.00 55.95 58.60 3ks6 s SER 160 Cb -0.20 -2.56 0.80 0.00 0.10 0.00 0.00 66.02 64.16 3ks6 s SER 160 CO 0.03 -1.89 1.71 -0.65 0.98 0.00 0.00 173.24 173.42 3ks6 h PRO 161 N -0.19 0.46 -0.08 4.02 0.11 -1.98 -0.56 132.00 133.79 3ks6 h PRO 161 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ks6 h PRO 161 Cb 1.26 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ks6 h PRO 161 CO 0.52 0.31 0.04 0.77 -0.21 0.00 0.00 178.00 179.43 3ks6 h SER 162 N 0.48 0.11 -0.47 -2.05 0.02 -1.99 -0.36 113.55 109.29 3ks6 h SER 162 Ca 0.60 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3ks6 h SER 162 Cb 1.14 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 3ks6 h SER 162 CO -0.51 0.21 0.28 0.58 -1.14 0.00 0.00 176.83 176.26 3ks6 h VAL 163 N -0.00 1.15 -0.56 2.27 2.07 -1.81 -0.56 116.25 118.80 3ks6 h VAL 163 Ca 0.03 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3ks6 h VAL 163 Cb 0.13 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3ks6 h VAL 163 CO -0.00 0.15 0.22 0.25 0.02 0.00 0.00 177.57 178.21 3ks6 h LEU 164 N 0.63 0.78 -0.29 2.57 5.85 -0.93 0.53 115.31 124.45 3ks6 h LEU 164 Ca 0.17 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 3ks6 h LEU 164 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3ks6 h LEU 164 CO -0.03 0.75 -0.63 -0.61 -0.34 0.00 0.00 178.44 177.58 3ks6 h GLN 165 N 0.78 0.79 0.00 1.25 4.15 -0.97 -0.92 115.11 120.18 3ks6 h GLN 165 Ca 0.19 -0.55 -0.05 0.00 0.77 0.00 0.00 58.65 59.01 3ks6 h GLN 165 Cb 0.21 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ks6 h GLN 165 CO -0.01 1.17 -0.27 1.96 -1.93 0.00 0.00 178.83 179.74 3ks6 h GLN 166 N 0.58 0.00 -0.36 1.69 4.20 -0.89 -3.27 115.11 117.07 3ks6 h GLN 166 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3ks6 h GLN 166 Cb 1.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3ks6 h GLN 166 CO 0.13 0.89 0.08 -0.07 -0.67 0.00 0.00 178.83 179.19 3ks6 h LEU 167 N -1.00 0.48 -0.01 1.46 4.07 -1.06 -3.50 115.31 115.75 3ks6 h LEU 167 Ca -0.07 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3ks6 h LEU 167 Cb 0.97 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 3ks6 h LEU 167 CO -0.04 0.48 -0.02 0.61 -1.08 0.00 0.00 178.44 178.39 3ks6 n GLY 168 N -1.07 -2.67 0.30 0.83 0.00 -0.35 -4.10 105.19 98.12 3ks6 n GLY 168 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3ks6 n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ks6 h PRO 169 N -0.02 0.68 -0.33 1.61 0.13 -1.92 -1.28 132.00 130.86 3ks6 h PRO 169 Ca -0.00 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3ks6 h PRO 169 Cb 0.02 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.01 3ks6 h PRO 169 CO 0.00 0.58 0.18 0.78 -0.23 0.00 0.00 178.00 179.31 3ks6 h GLY 170 N 0.84 0.45 1.86 1.56 0.00 -1.95 -1.26 103.07 104.58 3ks6 h GLY 170 Ca 0.16 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 3ks6 h GLY 170 CO -0.01 0.11 -0.76 0.00 0.00 0.00 0.00 176.54 175.88 3ks6 h ALA 171 N 1.16 0.70 -0.56 3.60 0.00 -1.66 -0.93 119.26 121.58 3ks6 h ALA 171 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ks6 h ALA 171 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ks6 h ALA 171 CO -0.08 0.87 0.35 0.28 0.00 0.00 0.00 179.25 180.67 3ks6 h VAL 172 N 0.08 1.16 -0.31 0.00 2.07 -1.02 -1.16 116.25 117.07 3ks6 h VAL 172 Ca -0.02 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3ks6 h VAL 172 Cb 1.33 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3ks6 h VAL 172 CO 0.11 0.16 -0.09 0.40 0.02 0.00 0.00 177.57 178.17 3ks6 h ILE 173 N 0.75 1.28 -0.32 4.57 2.04 -1.00 -1.51 117.51 123.32 3ks6 h ILE 173 Ca 0.20 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3ks6 h ILE 173 Cb -0.04 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3ks6 h ILE 173 CO -0.04 0.37 0.02 -0.33 0.00 0.00 0.00 178.15 178.16 3ks6 h GLU 174 N 0.39 0.49 -0.23 2.37 5.08 -1.08 -1.81 114.58 119.78 3ks6 h GLU 174 Ca 0.08 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3ks6 h GLU 174 Cb 0.58 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3ks6 h GLU 174 CO 0.03 0.50 -0.08 1.15 -1.00 0.00 0.00 179.01 179.62 3ks6 h THR 175 N 0.47 1.29 -0.43 1.13 2.02 -0.99 -1.05 112.91 115.36 3ks6 h THR 175 Ca 0.11 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.20 3ks6 h THR 175 Cb 0.29 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3ks6 h THR 175 CO 0.01 0.34 0.24 0.00 0.37 0.00 0.00 175.52 176.48 3ks6 h ALA 176 N 0.74 0.54 -0.51 6.16 0.00 -1.04 -1.71 119.26 123.45 3ks6 h ALA 176 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ks6 h ALA 176 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ks6 h ALA 176 CO 0.03 -0.09 0.27 0.82 0.00 0.00 0.00 179.25 180.28 3ks6 h ILE 177 N 0.49 1.18 0.00 0.00 2.04 -1.25 -0.56 117.51 119.41 3ks6 h ILE 177 Ca 0.17 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3ks6 h ILE 177 Cb 0.03 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3ks6 h ILE 177 CO -0.09 0.20 -0.08 0.00 0.00 0.00 0.00 178.15 178.18 3ks6 h ALA 178 N 1.10 1.81 -0.66 1.87 0.00 -0.89 -1.86 119.26 120.63 3ks6 h ALA 178 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ks6 h ALA 178 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ks6 h ALA 178 CO -0.03 0.10 0.00 0.72 0.00 0.00 0.00 179.25 180.05 3ks6 n HIS 179 N -4.36 1.42 -3.87 0.00 8.25 -0.67 -4.96 115.22 111.03 3ks6 n HIS 179 Ca -0.03 -0.58 -0.29 0.00 -0.26 0.00 0.00 57.72 56.56 3ks6 n HIS 179 Cb 0.16 -0.21 0.03 0.00 1.12 0.00 0.00 29.99 31.09 3ks6 n HIS 179 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ks6 n SER 180 N 1.20 -4.84 -4.77 0.41 7.64 -0.70 -4.92 113.62 107.64 3ks6 n SER 180 Ca 0.25 -0.75 -0.36 0.00 1.01 0.00 0.00 58.87 59.02 3ks6 n SER 180 Cb 0.85 -4.02 -0.07 0.00 -1.01 0.00 0.00 64.21 59.95 3ks6 n SER 180 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ks6 s ILE 181 N -3.32 5.39 -1.67 0.44 1.01 -0.26 -5.00 121.20 117.79 3ks6 s ILE 181 Ca 0.63 0.30 0.13 0.00 0.00 0.00 0.00 60.65 61.71 3ks6 s ILE 181 Cb -0.31 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 38.77 3ks6 s ILE 181 CO 0.82 0.48 0.94 1.41 0.00 0.00 0.00 174.94 178.58 3ks6 n HIS 182 N 3.11 0.01 -3.70 3.97 8.25 -1.26 -4.34 115.22 121.26 3ks6 n HIS 182 Ca -0.16 -0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 3ks6 n HIS 182 Cb 0.53 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.54 3ks6 n HIS 182 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3ks6 s GLU 183 N -1.12 0.57 0.24 -0.41 2.12 -1.26 -0.44 118.70 118.40 3ks6 s GLU 183 Ca 0.16 0.74 0.11 0.00 0.36 0.00 0.00 54.97 56.34 3ks6 s GLU 183 Cb 0.11 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.70 3ks6 s GLU 183 CO 0.17 -0.09 -0.20 0.96 -0.54 0.00 0.00 175.26 175.56 3ks6 s ILE 184 N 0.48 2.52 -0.09 -3.70 -4.36 -0.98 -1.59 121.20 113.49 3ks6 s ILE 184 Ca -0.02 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.19 3ks6 s ILE 184 Cb -0.04 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.40 3ks6 s ILE 184 CO -0.02 -0.28 -0.14 -0.83 0.24 0.00 0.00 174.94 173.91 3ks6 s GLY 185 N -3.17 0.94 0.18 6.27 0.00 0.36 -2.20 107.32 109.69 3ks6 s GLY 185 Ca 0.26 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.47 3ks6 s GLY 185 CO 0.13 0.20 -0.09 -1.34 0.00 0.00 0.00 173.10 172.01 3ks6 s VAL 186 N 0.88 3.24 0.23 1.40 -7.23 -0.67 -0.75 120.40 117.49 3ks6 s VAL 186 Ca -0.10 -1.64 -0.32 0.00 -1.81 0.00 0.00 61.98 58.12 3ks6 s VAL 186 Cb -0.15 -2.61 -0.13 0.00 0.56 0.00 0.00 36.38 34.05 3ks6 s VAL 186 CO 0.01 -0.11 1.44 1.57 -0.31 0.00 0.00 175.10 177.69 3ks6 n HIS 187 N 0.02 2.20 -0.27 2.82 -0.00 -1.26 -1.36 115.22 117.38 3ks6 n HIS 187 Ca -0.11 0.40 0.13 0.00 -0.00 0.00 0.00 57.72 58.15 3ks6 n HIS 187 Cb 0.55 -2.48 0.39 0.00 -0.00 0.00 0.00 29.99 28.46 3ks6 n HIS 187 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3ks6 h ILE 188 N 3.15 0.80 0.00 3.57 6.09 -1.18 0.14 117.51 130.08 3ks6 h ILE 188 Ca -0.45 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 3ks6 h ILE 188 Cb 1.27 0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.66 3ks6 h ILE 188 CO 0.78 0.12 0.00 0.47 -3.07 0.00 0.00 178.15 176.45 3ks6 n ASP 189 N -4.57 0.62 -0.70 2.19 8.00 -1.26 -2.05 116.55 118.79 3ks6 n ASP 189 Ca 0.18 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.46 3ks6 n ASP 189 Cb 0.51 -0.79 0.11 0.00 -0.02 0.00 0.00 41.12 40.93 3ks6 n ASP 189 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ks6 n THR 190 N -2.20 0.00 -3.21 -3.53 -2.24 0.03 -4.98 114.28 98.15 3ks6 n THR 190 Ca 0.02 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 3ks6 n THR 190 Cb 0.21 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 3ks6 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ks6 s ALA 191 N -2.22 3.43 0.19 6.98 0.00 -0.87 -4.98 121.76 124.28 3ks6 s ALA 191 Ca 0.25 -0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 3ks6 s ALA 191 Cb 0.19 -2.62 0.06 0.00 0.00 0.00 0.00 23.12 20.75 3ks6 s ALA 191 CO 0.42 0.34 0.91 0.16 0.00 0.00 0.00 175.76 177.60 3ks6 s ASP 192 N -2.47 -0.18 0.24 0.00 1.47 -1.26 -5.04 116.67 109.43 3ks6 s ASP 192 Ca 0.51 -0.48 -0.05 0.00 1.18 0.00 0.00 52.55 53.70 3ks6 s ASP 192 Cb -0.11 0.55 0.37 0.00 -0.34 0.00 0.00 42.92 43.39 3ks6 s ASP 192 CO 0.21 -1.02 1.80 0.00 0.68 0.00 0.00 175.17 176.84 3ks6 h ALA 193 N 2.00 1.09 -0.36 2.11 0.00 -1.97 -2.70 119.26 119.43 3ks6 h ALA 193 Ca -0.23 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ks6 h ALA 193 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ks6 h ALA 193 CO 0.26 0.03 0.10 0.78 0.00 0.00 0.00 179.25 180.42 3ks6 h GLY 194 N 0.70 0.60 -1.37 0.00 0.00 -2.01 -1.14 103.07 99.86 3ks6 h GLY 194 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3ks6 h GLY 194 CO -0.26 0.34 0.00 -0.10 0.00 0.00 0.00 176.54 176.52 3ks6 n LEU 195 N -4.63 0.10 0.00 3.11 7.94 -1.02 -1.41 117.00 121.09 3ks6 n LEU 195 Ca -0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3ks6 n LEU 195 Cb 0.18 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.11 3ks6 n LEU 195 CO 0.38 0.02 0.00 0.00 -1.11 0.00 0.00 177.39 176.67 3ks6 n ALA 197 N 0.66 0.00 -0.22 1.96 0.00 -0.43 -1.30 120.51 121.18 3ks6 n ALA 197 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ks6 n ALA 197 Cb 0.02 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.52 3ks6 n ALA 197 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3ks6 h GLN 198 N 0.00 0.82 -0.08 0.00 4.15 -1.49 0.35 115.11 118.86 3ks6 h GLN 198 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3ks6 h GLN 198 Cb 0.00 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.50 3ks6 h GLN 198 CO 0.00 0.54 0.02 0.28 -1.93 0.00 0.00 178.83 177.74 3ks6 h VAL 199 N 0.84 1.20 -0.09 2.39 2.07 -1.46 -2.86 116.25 118.34 3ks6 h VAL 199 Ca 0.24 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3ks6 h VAL 199 Cb -0.07 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3ks6 h VAL 199 CO -0.06 0.17 -0.29 1.56 0.02 0.00 0.00 177.57 178.97 3ks6 h GLN 200 N -0.09 0.16 0.00 1.57 4.20 -1.60 -2.34 115.11 117.00 3ks6 h GLN 200 Ca 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3ks6 h GLN 200 Cb 0.25 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3ks6 h GLN 200 CO 0.00 0.44 -0.16 0.00 -0.67 0.00 0.00 178.83 178.44 3ks6 h ALA 201 N 1.57 1.23 -0.06 3.87 0.00 -0.85 -1.06 119.26 123.97 3ks6 h ALA 201 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ks6 h ALA 201 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ks6 h ALA 201 CO 0.04 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3ks6 n ALA 202 N -2.28 2.59 -0.52 0.00 0.00 -0.91 -4.92 120.51 114.47 3ks6 n ALA 202 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ks6 n ALA 202 Cb 0.29 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3ks6 n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ks6 n GLY 203 N 1.02 0.75 3.89 0.00 0.00 -0.40 -5.06 105.19 105.39 3ks6 n GLY 203 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ks6 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ks6 s LEU 204 N 0.00 4.33 0.52 0.99 1.43 -1.06 -4.98 118.68 119.91 3ks6 s LEU 204 Ca 0.00 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.55 3ks6 s LEU 204 Cb 0.00 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 3ks6 s LEU 204 CO 0.00 0.16 0.98 -1.81 0.23 0.00 0.00 176.35 175.91 3ks6 s ASP 205 N -2.02 6.57 -0.09 2.29 1.01 0.42 -3.74 116.67 121.11 3ks6 s ASP 205 Ca 0.34 1.53 -0.01 0.00 0.71 0.00 0.00 52.55 55.12 3ks6 s ASP 205 Cb -0.13 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.33 3ks6 s ASP 205 CO 0.20 -0.61 -0.04 0.12 0.21 0.00 0.00 175.17 175.05 3ks6 s PHE 206 N -2.68 1.06 0.30 4.23 5.36 -1.26 -2.32 117.98 122.67 3ks6 s PHE 206 Ca 0.58 -0.43 0.07 0.00 -0.96 0.00 0.00 56.93 56.18 3ks6 s PHE 206 Cb -0.10 -0.99 -0.03 0.00 -0.34 0.00 0.00 43.02 41.56 3ks6 s PHE 206 CO 0.34 -0.40 0.25 0.41 -1.46 0.00 0.00 175.22 174.36 3ks6 n GLY 207 N 4.93 3.04 3.28 13.12 0.00 -0.93 -0.94 105.19 127.69 3ks6 n GLY 207 Ca -0.11 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 3ks6 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 s TRP 209 N -3.73 0.64 -0.85 0.00 1.48 -0.46 -2.26 118.94 113.75 3ks6 s TRP 209 Ca 0.33 -1.01 0.00 0.00 -1.06 0.00 0.00 56.10 54.36 3ks6 s TRP 209 Cb 0.07 -0.28 0.00 0.00 -1.16 0.00 0.00 33.47 32.10 3ks6 s TRP 209 CO 0.10 -0.62 0.00 0.00 -4.06 0.00 0.00 176.95 172.37 3ks6 n ALA 210 N -0.15 -0.28 -2.98 2.67 0.00 -1.22 -0.66 120.51 117.88 3ks6 n ALA 210 Ca -0.06 0.08 -0.44 0.00 0.00 0.00 0.00 53.44 53.02 3ks6 n ALA 210 Cb 0.63 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 3ks6 n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ks6 s ALA 211 N -2.48 3.99 -0.24 0.00 0.00 -0.96 -4.73 121.76 117.33 3ks6 s ALA 211 Ca 0.00 -3.33 0.19 0.00 0.00 0.00 0.00 51.96 48.82 3ks6 s ALA 211 Cb 0.00 -4.06 -0.28 0.00 0.00 0.00 0.00 23.12 18.78 3ks6 s ALA 211 CO 0.00 -2.74 0.52 0.72 0.00 0.00 0.00 175.76 174.25 3ks6 n HIS 212 N 5.49 0.00 -4.10 0.00 8.25 -1.26 -4.35 115.22 119.25 3ks6 n HIS 212 Ca 0.34 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.58 3ks6 n HIS 212 Cb 0.43 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 3ks6 n HIS 212 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ks6 s THR 213 N -3.21 3.77 0.26 1.59 -4.23 -1.26 -4.57 115.64 107.99 3ks6 s THR 213 Ca -0.04 -1.58 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 3ks6 s THR 213 Cb 0.13 -3.15 0.24 0.00 1.34 0.00 0.00 72.50 71.06 3ks6 s THR 213 CO 0.80 -0.29 1.83 -0.65 -0.54 0.00 0.00 174.62 175.76 3ks6 h PRO 214 N 1.56 0.87 -0.59 3.99 0.11 -1.99 0.35 132.00 136.30 3ks6 h PRO 214 Ca -0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3ks6 h PRO 214 Cb 1.25 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3ks6 h PRO 214 CO 0.61 0.57 0.13 0.66 -0.21 0.00 0.00 178.00 179.76 3ks6 h SER 215 N 0.89 0.91 -0.22 -2.05 4.64 -1.98 0.23 113.55 115.97 3ks6 h SER 215 Ca 0.43 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 3ks6 h SER 215 Cb 0.37 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3ks6 h SER 215 CO -0.24 0.92 -0.04 1.56 -0.87 0.00 0.00 176.83 178.16 3ks6 h GLN 216 N 0.87 0.42 -0.32 4.77 4.20 -1.78 0.09 115.11 123.37 3ks6 h GLN 216 Ca 0.18 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3ks6 h GLN 216 Cb 0.37 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3ks6 h GLN 216 CO 0.01 0.64 0.14 0.82 -0.67 0.00 0.00 178.83 179.77 3ks6 h ILE 217 N 0.16 0.95 -0.30 2.54 2.04 -0.90 -1.69 117.51 120.31 3ks6 h ILE 217 Ca 0.06 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3ks6 h ILE 217 Cb 0.48 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3ks6 h ILE 217 CO 0.02 0.05 -0.11 0.74 0.00 0.00 0.00 178.15 178.85 3ks6 h THR 218 N 0.29 1.23 -0.32 -0.27 2.02 -0.86 -1.36 112.91 113.65 3ks6 h THR 218 Ca 0.14 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3ks6 h THR 218 Cb 0.08 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3ks6 h THR 218 CO -0.11 0.33 0.14 0.50 0.37 0.00 0.00 175.52 176.74 3ks6 h LYS 219 N 0.48 0.47 -0.43 6.66 3.64 -0.67 0.17 116.57 126.88 3ks6 h LYS 219 Ca 0.09 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3ks6 h LYS 219 Cb 0.49 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3ks6 h LYS 219 CO 0.03 0.46 0.19 0.00 -2.27 0.00 0.00 179.45 177.86 3ks6 h ALA 220 N 0.98 0.53 -0.39 5.00 0.00 -0.86 0.20 119.26 124.72 3ks6 h ALA 220 Ca 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ks6 h ALA 220 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ks6 h ALA 220 CO -0.01 -0.19 0.06 -0.07 0.00 0.00 0.00 179.25 179.05 3ks6 h LEU 221 N 0.38 0.62 -0.73 0.00 3.38 -1.03 -1.84 115.31 116.09 3ks6 h LEU 221 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ks6 h LEU 221 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3ks6 h LEU 221 CO -0.16 0.73 0.40 0.44 0.09 0.00 0.00 178.44 179.93 3ks6 h ASP 222 N 0.49 0.91 0.52 -0.43 3.32 -0.43 -2.48 116.42 118.33 3ks6 h ASP 222 Ca 0.12 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3ks6 h ASP 222 Cb 0.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ks6 h ASP 222 CO 0.01 0.74 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.96 3ks6 h LEU 223 N 1.01 0.00 -0.39 1.55 3.38 -0.49 -3.47 115.31 116.89 3ks6 h LEU 223 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3ks6 h LEU 223 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ks6 h LEU 223 CO -0.04 0.24 -0.05 0.61 0.09 0.00 0.00 178.44 179.29 3ks6 n GLY 224 N -0.37 0.58 3.75 0.83 0.00 -0.71 -5.03 105.19 104.24 3ks6 n GLY 224 Ca -0.01 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3ks6 n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ks6 s VAL 225 N -2.56 3.10 0.15 1.61 -7.23 -1.10 -4.86 120.40 109.52 3ks6 s VAL 225 Ca 0.02 0.37 -0.15 0.00 -1.81 0.00 0.00 61.98 60.41 3ks6 s VAL 225 Cb -0.01 -2.79 0.02 0.00 0.56 0.00 0.00 36.38 34.16 3ks6 s VAL 225 CO 0.03 -0.46 1.74 0.50 -0.31 0.00 0.00 175.10 176.60 3ks6 h LYS 226 N -1.16 0.64 -2.29 4.82 3.64 -1.41 -3.37 116.57 117.43 3ks6 h LYS 226 Ca -0.44 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3ks6 h LYS 226 Cb 1.24 -0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.77 3ks6 h LYS 226 CO 0.50 0.54 0.26 0.54 -2.27 0.00 0.00 179.45 179.02 3ks6 s VAL 227 N -5.75 0.00 0.00 2.00 0.11 -1.26 -0.93 120.40 114.57 3ks6 s VAL 227 Ca -0.13 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 3ks6 s VAL 227 Cb 0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 3ks6 s VAL 227 CO 0.75 0.00 0.02 0.72 -3.33 0.00 0.00 175.10 173.26 3ks6 s PHE 228 N -2.15 0.10 0.16 1.54 -0.12 -0.80 -0.67 117.98 116.04 3ks6 s PHE 228 Ca -0.05 -0.20 -0.13 0.00 -0.05 0.00 0.00 56.93 56.50 3ks6 s PHE 228 Cb -0.00 -0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.23 3ks6 s PHE 228 CO 0.00 -0.13 0.54 0.95 -0.05 0.00 0.00 175.22 176.54 3ks6 s THR 229 N -0.81 4.88 -0.09 -4.49 -4.23 -0.96 -1.18 115.64 108.77 3ks6 s THR 229 Ca -0.09 0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 3ks6 s THR 229 Cb -0.05 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.10 3ks6 s THR 229 CO -0.00 0.18 0.23 0.28 -0.54 0.00 0.00 174.62 174.77 3ks6 s THR 230 N -1.54 -0.00 -1.62 3.99 -1.32 -0.63 -2.27 115.64 112.26 3ks6 s THR 230 Ca 0.40 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.18 3ks6 s THR 230 Cb -0.14 -0.33 0.64 0.00 -1.51 0.00 0.00 72.50 71.16 3ks6 s THR 230 CO 0.19 0.00 2.09 0.47 -2.21 0.00 0.00 174.62 175.17 3ks6 n ASP 231 N 2.96 0.00 -3.21 8.08 8.00 -1.26 -0.48 116.55 130.64 3ks6 n ASP 231 Ca -0.13 -0.42 -0.25 0.00 0.71 0.00 0.00 54.79 54.71 3ks6 n ASP 231 Cb 0.58 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 3ks6 n ASP 231 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ks6 n ARG 232 N -1.19 1.96 -0.12 -1.24 1.74 -1.26 -2.26 116.66 114.29 3ks6 n ARG 232 Ca 0.17 -4.12 0.04 0.00 -0.77 0.00 0.00 57.85 53.17 3ks6 n ARG 232 Cb 0.19 -1.89 0.36 0.00 -1.02 0.00 0.00 32.46 30.10 3ks6 n ARG 232 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ks6 h PRO 233 N 3.66 0.71 -0.31 5.56 0.13 -1.93 -0.32 132.00 139.51 3ks6 h PRO 233 Ca 0.13 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 3ks6 h PRO 233 Cb 0.73 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3ks6 h PRO 233 CO 0.68 0.47 0.11 1.15 -0.23 0.00 0.00 178.00 180.18 3ks6 h THR 234 N 0.73 1.19 -0.57 1.56 2.02 -1.96 -0.27 112.91 115.62 3ks6 h THR 234 Ca 0.24 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 3ks6 h THR 234 Cb 0.04 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3ks6 h THR 234 CO -0.06 0.21 0.13 0.25 0.37 0.00 0.00 175.52 176.41 3ks6 h LEU 235 N 0.34 0.87 -0.65 2.58 5.85 -1.86 -2.48 115.31 119.97 3ks6 h LEU 235 Ca 0.10 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3ks6 h LEU 235 Cb 0.22 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3ks6 h LEU 235 CO -0.01 0.88 0.36 0.00 -0.34 0.00 0.00 178.44 179.34 3ks6 h ALA 236 N 1.02 0.83 -0.35 1.25 0.00 -0.76 0.09 119.26 121.35 3ks6 h ALA 236 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 236 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ks6 h ALA 236 CO 0.00 0.34 0.23 0.82 0.00 0.00 0.00 179.25 180.64 3ks6 h ILE 237 N 0.88 1.09 -0.06 0.00 2.04 -0.90 -0.48 117.51 120.08 3ks6 h ILE 237 Ca 0.23 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3ks6 h ILE 237 Cb 0.03 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3ks6 h ILE 237 CO -0.04 0.09 0.04 0.00 0.00 0.00 0.00 178.15 178.24 3ks6 h ALA 238 N 1.13 0.08 -0.65 1.87 0.00 -1.00 -1.19 119.26 119.49 3ks6 h ALA 238 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ks6 h ALA 238 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ks6 h ALA 238 CO -0.03 -0.42 0.27 -0.07 0.00 0.00 0.00 179.25 179.00 3ks6 h LEU 239 N 0.08 0.86 -0.33 0.00 3.38 -0.89 -2.15 115.31 116.27 3ks6 h LEU 239 Ca 0.02 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3ks6 h LEU 239 Cb -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ks6 h LEU 239 CO -0.00 0.77 -0.16 -0.09 0.09 0.00 0.00 178.44 179.04 3ks6 h ARG 240 N 0.93 0.70 -0.46 1.13 2.43 -0.81 0.44 114.38 118.74 3ks6 h ARG 240 Ca 0.22 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3ks6 h ARG 240 Cb 0.17 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3ks6 h ARG 240 CO -0.02 0.90 0.15 1.15 -1.51 0.00 0.00 179.97 180.64 3ks6 h THR 241 N 0.47 0.83 -0.61 0.20 2.02 -1.04 0.38 112.91 115.16 3ks6 h THR 241 Ca 0.07 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3ks6 h THR 241 Cb 0.70 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3ks6 h THR 241 CO 0.05 0.06 0.36 -0.08 0.37 0.00 0.00 175.52 176.27 3ks6 h GLU 242 N 0.31 0.83 -0.69 6.66 4.81 -1.29 -2.91 114.58 122.31 3ks6 h GLU 242 Ca 0.22 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3ks6 h GLU 242 Cb 0.23 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3ks6 h GLU 242 CO -0.23 0.60 0.45 1.25 -0.73 0.00 0.00 179.01 180.35 3ks6 h HIS 243 N 0.82 0.87 0.00 0.92 2.76 -0.05 -1.40 115.15 119.08 3ks6 h HIS 243 Ca 0.22 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3ks6 h HIS 243 Cb -0.00 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.66 3ks6 h HIS 243 CO -0.02 0.56 0.00 0.54 -1.30 0.00 0.00 177.93 177.71 3ks6 n ARG 244 N -4.60 0.14 0.00 5.26 1.74 0.04 -1.14 116.66 118.11 3ks6 n ARG 244 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3ks6 n ARG 244 Cb 0.02 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3ks6 n ARG 244 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ks6 n GLU 246 N 0.58 0.00 0.13 5.56 0.00 -0.53 -2.17 120.64 124.22 3ks6 n GLU 246 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 3ks6 n GLU 246 Cb 0.05 0.00 0.17 0.00 0.00 0.00 0.00 31.44 31.66 3ks6 n GLU 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ks6 h ALA 247 N 0.00 0.98 -0.03 -1.84 0.00 -1.39 -3.09 119.26 113.89 3ks6 h ALA 247 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 3ks6 h ALA 247 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ks6 h ALA 247 CO 0.00 0.73 -0.81 0.66 0.00 0.00 0.00 179.25 179.83 3ks6 h SER 248 N 0.05 0.39 0.00 0.00 4.64 -1.71 -3.55 113.55 113.37 3ks6 h SER 248 Ca -0.01 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3ks6 h SER 248 Cb 1.06 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3ks6 h SER 248 CO 0.08 1.05 0.00 1.33 -0.87 0.00 0.00 176.83 178.42